A0A087XTD7_POEFO Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A087XTD7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 571 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
1M52.1Low70.8Confident190 Ų19084.5 Ų84.594%0.93644%0.444SS*.  0-36.40-135.6172.4-143.100113.8T5M1-T5 PolarHBondContact O-OG1 3.21Å
2F69Low71.9Confident98 Ų9883.7 Ų83.743%0.4344%0.44SS..Hα-helixtrans-74.1-44.5-172.5-176.3-109.4000116.2T5 L6 L16 V20F2-T5 PolarHBondContact O-N 3.12Å; F2-L6 HydrophobicContact CD1-CD1 3.54Å; F2-L6 HydrophobicContact CD1-CG 4.05Å; F2-L6 HydrophobicContact CE1-CD1 3.13Å; F2-L6 HydrophobicContact CE1-CD2 4.12Å; F2-L6 HydrophobicContact CE1-CG 3.66Å; F2-L6 HydrophobicContact CE2-CG 4.43Å; F2-L6 HydrophobicContact CZ-CD1 3.81Å; F2-L6 HydrophobicContact CZ-CD2 3.91Å; F2-L6 HydrophobicContact CZ-CG 3.87Å; F2-L6 PolarHBondContact O-N 3.18Å; F2-L6 VanDerWaalsContact O-N 3.09Å; F2-L16 HydrophobicContact CE1-CD1 4.45Å; F2-L16 HydrophobicContact CE1-CD2 3.77Å; F2-L16 HydrophobicContact CZ-CD2 3.64Å; F2-V20 HydrophobicContact CD1-CG1 3.61Å; F2-V20 HydrophobicContact CE1-CG1 3.15Å; F2-V20 HydrophobicContact CZ-CG1 3.99Å
3F71.5Confident73Confident12 Ų1277.5 Ų77.55%0.05341%0.408CS..Hα-helixtrans-67-36.1-174.5-77.9-79.7000116T5 L6 A7 V20 F24 M32 L40F3-T5 VanDerWaalsContact C-N 3.32Å; F3-T5 PolarHBondContact O-N 3.39Å; F3-L6 HydrophobicContact CD1-CD1 3.77Å; F3-L6 HydrophobicContact CE1-CD1 3.92Å; F3-L6 HydrophobicContact CG-CD1 4.46Å; F3-L6 WeakPolarHBondContact O-CB 3.45Å; F3-L6 PolarHBondContact O-N 3.49Å; F3-A7 PolarHBondContact O-N 3.41Å; F3-A7 VanDerWaalsContact O-N 3.16Å; F3-V20 VanDerWaalsContact CE2-O 3.28Å; F3-V20 WeakPolarHBondContact CE2-O 3.28Å; F3-V20 WeakPolarHBondContact CZ-O 3.21Å; F3-F24 HydrophobicContact CD1-CB 3.82Å; F3-F24 HydrophobicContact CD2-CB 4.03Å; F3-F24 HydrophobicContact CE1-CB 3.69Å; F3-F24 HydrophobicContact CE2-CB 3.91Å; F3-F24 HydrophobicContact CG-CB 3.97Å; F3-F24 HydrophobicContact CZ-CB 3.72Å; F3-M32 HydrophobicContact CB-CE 4.36Å; F3-M32 HydrophobicContact CD1-CE 4.12Å; F3-M32 VanDerWaalsContact O-CE 3.24Å; F3-M32 WeakPolarHBondContact O-CE 3.48Å; F3-L40 HydrophobicContact CE1-CD1 3.91Å; F3-L40 HydrophobicContact CE1-CD2 4.45Å
4P69Low74.1Confident36 Ų3674.9 Ų74.923%0.23439%0.393CS..Hα-helixtrans-58.5-42.7171.1-26.335.9000112.5L6 A7 T28P4-L6 PolarHBondContact O-N 3.03Å; P4-A7 VanDerWaalsContact O-CB 3.24Å; P4-A7 WeakPolarHBondContact O-CB 3.24Å; P4-A7 PolarHBondContact O-N 2.89Å; P4-T28 HydrophobicContact CG-CG2 4.14Å
5T72.2Confident75.1Confident90 Ų9079.1 Ų79.155%0.55241%0.409SS*.Hα-helixtrans-66.2-37.6176.8-41.90000112.1M1 F2 F3 A7 E8 A9M1-T5 PolarHBondContact O-OG1 3.21Å; F2-T5 PolarHBondContact O-N 3.12Å; F3-T5 VanDerWaalsContact C-N 3.32Å; F3-T5 PolarHBondContact O-N 3.39Å; T5-A7 PolarHBondContact O-N 3.04Å; T5-E8 PolarHBondContact O-N 3.18Å; T5-A9 WeakPolarHBondContact O-CB 3.4Å; T5-A9 PolarHBondContact O-N 3.09Å; T5-A9 VanDerWaalsContact O-N 3.12Å
6L72.3Confident76Confident8 Ų874.8 Ų74.84%0.04239%0.387CS..Hα-helixtrans-62.3-27.5174.2-80.9177.7000113.5F2 F3 P4 E8 F11 L16 M32 K36F2-L6 HydrophobicContact CD1-CD1 3.54Å; F2-L6 HydrophobicContact CD1-CG 4.05Å; F2-L6 HydrophobicContact CE1-CD1 3.13Å; F2-L6 HydrophobicContact CE1-CD2 4.12Å; F2-L6 HydrophobicContact CE1-CG 3.66Å; F2-L6 HydrophobicContact CE2-CG 4.43Å; F2-L6 HydrophobicContact CZ-CD1 3.81Å; F2-L6 HydrophobicContact CZ-CD2 3.91Å; F2-L6 HydrophobicContact CZ-CG 3.87Å; F2-L6 PolarHBondContact O-N 3.18Å; F2-L6 VanDerWaalsContact O-N 3.09Å; F3-L6 HydrophobicContact CD1-CD1 3.77Å; F3-L6 HydrophobicContact CE1-CD1 3.92Å; F3-L6 HydrophobicContact CG-CD1 4.46Å; F3-L6 WeakPolarHBondContact O-CB 3.45Å; F3-L6 PolarHBondContact O-N 3.49Å; P4-L6 PolarHBondContact O-N 3.03Å; L6-E8 PolarHBondContact O-N 3.29Å; L6-F11 HydrophobicContact CD2-CB 4.04Å; L6-F11 HydrophobicContact CD2-CD1 3.87Å; L6-F11 HydrophobicContact CD2-CG 4.15Å; L6-L16 HydrophobicContact CD1-CD1 3.81Å; L6-M32 HydrophobicContact CB-CE 4.33Å; L6-K36 VanDerWaalsContact O-CE 3.27Å; L6-K36 WeakPolarHBondContact O-CE 3.48Å
7A69.4Low76.9Confident23 Ų2373.6 Ų73.619%0.1939%0.387CS..Hα-helixtrans-64.3-30.6178.400000111.9F3 P4 T5 M32F3-A7 PolarHBondContact O-N 3.41Å; F3-A7 VanDerWaalsContact O-N 3.16Å; P4-A7 VanDerWaalsContact O-CB 3.24Å; P4-A7 WeakPolarHBondContact O-CB 3.24Å; P4-A7 PolarHBondContact O-N 2.89Å; T5-A7 PolarHBondContact O-N 3.04Å; A7-M32 HydrophobicContact CB-CB 4.41Å; A7-M32 HydrophobicContact CB-CE 4.14Å; A7-M32 HydrophobicContact CB-CG 3.51Å
8E70.8Confident77.6Confident179 Ų17971.3 Ų71.384%0.83638%0.377SS*.Hα-helixtrans-100.6-16.2-175.7-62.4175.7-176.500112.5T5 L6T5-E8 PolarHBondContact O-N 3.18Å; L6-E8 PolarHBondContact O-N 3.29Å
9A73.7Confident78.2Confident41 Ų4176.1 Ų76.134%0.33940%0.395SS..SBendtrans-90.1140-178.200000113.3T5 F11 K36T5-A9 WeakPolarHBondContact O-CB 3.4Å; T5-A9 PolarHBondContact O-N 3.09Å; T5-A9 VanDerWaalsContact O-N 3.12Å; A9-F11 HydrophobicContact CB-CB 4.3Å; A9-F11 PolarHBondContact O-N 3.42Å; A9-K36 PolarHBondContact O-NZ 3.47Å
10D76.8Confident78.7Confident174 Ų17474.5 Ų74.593%0.9339%0.388SS*.  trans-77.848.8169-165.424000111.8
11F81.7Confident79.3Confident79 Ų7970.9 Ų70.935%0.34637%0.37SS..  trans-94.1132.2178.9-174.2-90.2000110.8L6 A9 T13 Q15 L16 K36L6-F11 HydrophobicContact CD2-CB 4.04Å; L6-F11 HydrophobicContact CD2-CD1 3.87Å; L6-F11 HydrophobicContact CD2-CG 4.15Å; A9-F11 HydrophobicContact CB-CB 4.3Å; A9-F11 PolarHBondContact O-N 3.42Å; F11-T13 PolarHBondContact O-N 3.28Å; F11-Q15 HydrophobicContact CE1-CB 4.22Å; F11-Q15 HydrophobicContact CZ-CB 4.01Å; F11-L16 HydrophobicContact CD1-CD2 4.04Å; F11-L16 HydrophobicContact CD1-CG 4.37Å; F11-L16 HydrophobicContact CE1-CD2 3.39Å; F11-L16 HydrophobicContact CE1-CG 3.8Å; F11-L16 HydrophobicContact CZ-CD2 4.15Å; F11-K36 PolarHBondContact O-NZ 3.36Å
12D84.1Confident81Confident74 Ų7464.6 Ų64.640%0.39634%0.338SS..  trans-69.7106.7174.9177.712.6000111.3E14 Q15D12-E14 PolarHBondContact O-N 3.27Å; D12-E14 VanDerWaalsContact O-N 3.13Å; D12-E14 VanDerWaalsContact OD1-CB 3.27Å; D12-E14 WeakPolarHBondContact OD1-CB 3.47Å; D12-E14 PolarHBondContact OD1-N 3.25Å; D12-Q15 HydrophobicContact CB-CG 4.23Å; D12-Q15 PolarHBondContact O-N 2.85Å; D12-Q15 VanDerWaalsContact O-N 3.14Å
13T86.6Confident81.8Confident4 Ų462.3 Ų62.33%0.02534%0.342CS..G310 helixtrans-63.4-19.3-178.152.40000113F11 Q15 L16 Q39 A43F11-T13 PolarHBondContact O-N 3.28Å; T13-Q15 PolarHBondContact O-N 3.33Å; T13-L16 HydrophobicContact CG2-CD1 4.23Å; T13-L16 WeakPolarHBondContact O-CB 3.28Å; T13-L16 WeakPolarHBondContact O-CG 3.41Å; T13-L16 PolarHBondContact O-N 3.23Å; T13-Q39 VanDerWaalsContact OG1-C 3.29Å; T13-Q39 PolarHBondContact OG1-O 2.78Å; T13-Q39 VanDerWaalsContact OG1-O 3.05Å; T13-A43 WeakPolarHBondContact O-CB 3.43Å
14E87.9Confident82.5Confident41 Ų4161.9 Ų61.919%0.19234%0.34CS..G310 helixtrans-62.1-28.9176-72.8-69.1124.100112.7D12 L16 H42 A43 R45 R47 R50D12-E14 PolarHBondContact O-N 3.27Å; D12-E14 VanDerWaalsContact O-N 3.13Å; D12-E14 VanDerWaalsContact OD1-CB 3.27Å; D12-E14 WeakPolarHBondContact OD1-CB 3.47Å; D12-E14 PolarHBondContact OD1-N 3.25Å; E14-L16 VanDerWaalsContact C-N 3.31Å; E14-H42 IonicContact OE1-CD2 3.66Å; E14-H42 PolarHBondContact OE1-CD2 2.95Å; E14-H42 VanDerWaalsContact OE1-CD2 3.31Å; E14-A43 WeakPolarHBondContact OE1-CA 3.45Å; E14-A43 PolarHBondContact OE1-N 3.04Å; E14-R45 VanDerWaalsContact CD-NH1 3.25Å; E14-R45 IonicContact OE1-CZ 3.93Å; E14-R45 IonicContact OE1-NH1 2.7Å; E14-R45 PolarHBondContact OE1-NH1 2.78Å; E14-R45 IonicContact OE1-NH2 2.76Å; E14-R45 IonicContact OE2-CZ 2.77Å; E14-R45 IonicContact OE2-NH1 2.63Å; E14-R45 PolarHBondContact OE2-NH1 3Å; E14-R45 VanDerWaalsContact OE2-NH1 3.09Å; E14-R45 IonicContact OE2-NH2 3.71Å; E14-R45 PolarHBondContact OE2-NH2 2.78Å; E14-R47 PolarHBondContact O-NH1 3.3Å; E14-R47 PolarHBondContact O-NH2 3Å; E14-R47 IonicContact OE2-CZ 3.76Å; E14-R47 IonicContact OE2-NE 2.61Å; E14-R47 IonicContact OE2-NH1 3.31Å; E14-R47 PolarHBondContact OE2-NH1 2.99Å; E14-R47 IonicContact OE2-NH2 2.8Å; E14-R50 PolarHBondContact O-NH1 3.2Å
15Q89.1Confident83.2Confident137 Ų13761.7 Ų61.764%0.6434%0.338SS*.G310 helixtrans-79.3-11.6-178.8-58.5-173.41400113.3F11 D12 T13F11-Q15 HydrophobicContact CE1-CB 4.22Å; F11-Q15 HydrophobicContact CZ-CB 4.01Å; D12-Q15 HydrophobicContact CB-CG 4.23Å; D12-Q15 PolarHBondContact O-N 2.85Å; D12-Q15 VanDerWaalsContact O-N 3.14Å; T13-Q15 PolarHBondContact O-N 3.33Å
16L90.1Very high84Confident10 Ų1057.9 Ų57.95%0.05232%0.315CS..SBendtrans-66.7140.1178.3-62.3175.8000110.8F2 L6 F11 T13 E14 V20 L21 R50F2-L16 HydrophobicContact CE1-CD1 4.45Å; F2-L16 HydrophobicContact CE1-CD2 3.77Å; F2-L16 HydrophobicContact CZ-CD2 3.64Å; L6-L16 HydrophobicContact CD1-CD1 3.81Å; F11-L16 HydrophobicContact CD1-CD2 4.04Å; F11-L16 HydrophobicContact CD1-CG 4.37Å; F11-L16 HydrophobicContact CE1-CD2 3.39Å; F11-L16 HydrophobicContact CE1-CG 3.8Å; F11-L16 HydrophobicContact CZ-CD2 4.15Å; T13-L16 HydrophobicContact CG2-CD1 4.23Å; T13-L16 WeakPolarHBondContact O-CB 3.28Å; T13-L16 WeakPolarHBondContact O-CG 3.41Å; T13-L16 PolarHBondContact O-N 3.23Å; E14-L16 VanDerWaalsContact C-N 3.31Å; L16-V20 HydrophobicContact CB-CG1 4.4Å; L16-V20 HydrophobicContact CD2-CG1 4.02Å; L16-L21 HydrophobicContact CB-CD1 4.47Å; L16-L21 HydrophobicContact CB-CD2 3.8Å; L16-L21 HydrophobicContact CB-CG 3.81Å; L16-L21 HydrophobicContact CD1-CD2 3.65Å; L16-L21 HydrophobicContact CG-CD2 4.35Å; L16-R50 VanDerWaalsContact O-CZ 3.25Å; L16-R50 PolarHBondContact O-NH1 3.43Å; L16-R50 PolarHBondContact O-NH2 3.16Å
17S90.6Very high84.5Confident55 Ų5557.9 Ų57.939%0.38532%0.317SS..  trans-68.5155.9174.576.20000111.1F19 V20 L21S17-F19 PolarHBondContact O-N 3.46Å; S17-V20 PolarHBondContact O-N 3.34Å; S17-V20 VanDerWaalsContact O-N 3.16Å; S17-V20 WeakPolarHBondContact OG-CG2 3.44Å; S17-V20 PolarHBondContact OG-N 3.39Å; S17-L21 PolarHBondContact O-N 2.74Å
18P90.5Very high85.1Confident33 Ų3357.3 Ų57.321%0.21431%0.311CS..Hα-helixtrans-54.5-40.3175.9-2633.6000113.4V20 L21 Q22 R50 A51 V53P18-V20 PolarHBondContact O-N 2.91Å; P18-L21 PolarHBondContact O-N 3.16Å; P18-Q22 PolarHBondContact O-N 3.31Å; P18-R50 HydrophobicContact CG-CG 4.1Å; P18-R50 VanDerWaalsContact N-NH2 3.19Å; P18-A51 HydrophobicContact CG-CB 4.4Å; P18-V53 HydrophobicContact CB-CG2 4.13Å
19F88.2Confident85.7Confident162 Ų16248.9 Ų48.971%0.71127%0.272SS*.Hα-helixtrans-62.7-41.8178.7-178.1-98.5000112.1S17 Q22S17-F19 PolarHBondContact O-N 3.46Å; F19-Q22 PolarHBondContact O-N 3.34Å
20V88.6Confident85.9Confident43 Ų4350.7 Ų50.726%0.26127%0.272SS..Hα-helixtrans-66.4-46.9176.7172.20000110.3F2 F3 L16 S17 P18 Q22 G23F2-V20 HydrophobicContact CD1-CG1 3.61Å; F2-V20 HydrophobicContact CE1-CG1 3.15Å; F2-V20 HydrophobicContact CZ-CG1 3.99Å; F3-V20 VanDerWaalsContact CE2-O 3.28Å; F3-V20 WeakPolarHBondContact CE2-O 3.28Å; F3-V20 WeakPolarHBondContact CZ-O 3.21Å; L16-V20 HydrophobicContact CB-CG1 4.4Å; L16-V20 HydrophobicContact CD2-CG1 4.02Å; S17-V20 PolarHBondContact O-N 3.34Å; S17-V20 VanDerWaalsContact O-N 3.16Å; S17-V20 WeakPolarHBondContact OG-CG2 3.44Å; S17-V20 PolarHBondContact OG-N 3.39Å; P18-V20 PolarHBondContact O-N 2.91Å; V20-Q22 PolarHBondContact O-N 3.12Å; V20-G23 PolarHBondContact O-N 2.88Å
21L90.2Very high86.1Confident0 Ų048.5 Ų48.50%025%0.254CS..Hα-helixtrans-60-29178.2-72.3178.1000113.5L16 S17 P18 G23 F24 L40 A43 V53L16-L21 HydrophobicContact CB-CD1 4.47Å; L16-L21 HydrophobicContact CB-CD2 3.8Å; L16-L21 HydrophobicContact CB-CG 3.81Å; L16-L21 HydrophobicContact CD1-CD2 3.65Å; L16-L21 HydrophobicContact CG-CD2 4.35Å; S17-L21 PolarHBondContact O-N 2.74Å; P18-L21 PolarHBondContact O-N 3.16Å; L21-G23 PolarHBondContact O-N 3Å; L21-F24 VanDerWaalsContact O-CD1 3.24Å; L21-F24 WeakPolarHBondContact O-CD1 3.24Å; L21-L40 HydrophobicContact CD2-CD1 3.59Å; L21-A43 HydrophobicContact CD1-CB 3.98Å; L21-A43 VanDerWaalsContact CD1-O 3.29Å; L21-A43 WeakPolarHBondContact CD1-O 3.48Å; L21-A43 HydrophobicContact CD2-CB 4.11Å; L21-V53 HydrophobicContact CB-CG1 3.88Å; L21-V53 HydrophobicContact CB-CG2 4.27Å; L21-V53 HydrophobicContact CD1-CG2 3.97Å
22Q88.2Confident86.3Confident58 Ų5845.4 Ų45.427%0.27124%0.241SC..Hα-helixtrans-67.4-20.7174.5177174.33200113.1P18 F19 V20 F24 V53 E54 Q59P18-Q22 PolarHBondContact O-N 3.31Å; F19-Q22 PolarHBondContact O-N 3.34Å; V20-Q22 PolarHBondContact O-N 3.12Å; Q22-F24 PolarHBondContact O-N 3.18Å; Q22-V53 HydrophobicContact CB-CG1 4.46Å; Q22-E54 VanDerWaalsContact CD-O 3.28Å; Q22-E54 VanDerWaalsContact CG-O 3.22Å; Q22-E54 WeakPolarHBondContact CG-O 3.27Å; Q22-E54 PolarHBondContact NE2-O 3.19Å; Q22-Q59 PolarHBondContact O-NE2 3.08Å
23G85.4Confident86.5Confident49 Ų4946.1 Ų46.151%0.50525%0.248SC..THydrogen-bonded Turntrans-83.71.2-169.400000116.8V20 L21V20-G23 PolarHBondContact O-N 2.88Å; L21-G23 PolarHBondContact O-N 3Å
24F86.4Confident86.6Confident3 Ų352 Ų521%0.01327%0.273CS..  trans-75.8155.1-177.578.9-92.9000111.9F3 L21 Q22 V29 L40 L55 Q59 M63F3-F24 HydrophobicContact CD1-CB 3.82Å; F3-F24 HydrophobicContact CD2-CB 4.03Å; F3-F24 HydrophobicContact CE1-CB 3.69Å; F3-F24 HydrophobicContact CE2-CB 3.91Å; F3-F24 HydrophobicContact CG-CB 3.97Å; F3-F24 HydrophobicContact CZ-CB 3.72Å; L21-F24 VanDerWaalsContact O-CD1 3.24Å; L21-F24 WeakPolarHBondContact O-CD1 3.24Å; Q22-F24 PolarHBondContact O-N 3.18Å; F24-V29 HydrophobicContact CB-CG2 3.99Å; F24-V29 HydrophobicContact CD2-CG2 3.39Å; F24-V29 HydrophobicContact CE2-CG2 4.16Å; F24-V29 HydrophobicContact CG-CG2 3.91Å; F24-L40 HydrophobicContact CD1-CD2 4.45Å; F24-L40 HydrophobicContact CG-CD2 4.36Å; F24-L55 HydrophobicContact CE1-CD2 3.65Å; F24-L55 HydrophobicContact CZ-CD2 4.27Å; F24-Q59 HydrophobicContact CE1-CB 4.33Å; F24-Q59 HydrophobicContact CE2-CB 4.02Å; F24-Q59 HydrophobicContact CE2-CG 4.14Å; F24-Q59 HydrophobicContact CZ-CB 3.59Å; F24-Q59 HydrophobicContact CZ-CG 4.01Å; F24-Q59 PolarHBondContact O-NE2 3.16Å; F24-M63 HydrophobicContact CD1-CE 4.32Å; F24-M63 HydrophobicContact CE1-CE 3.27Å; F24-M63 HydrophobicContact CE1-SD 4.29Å; F24-M63 HydrophobicContact CE2-CE 4.34Å; F24-M63 HydrophobicContact CE2-CG 4.3Å; F24-M63 HydrophobicContact CZ-CE 3.27Å; F24-M63 HydrophobicContact CZ-CG 3.79Å; F24-M63 HydrophobicContact CZ-SD 3.8Å
25T85.2Confident86.7Confident32 Ų3254.1 Ų54.120%0.19629%0.291CS..  trans-122.8153.8171.167.80000110.1G27 T28 V29T25-G27 VanDerWaalsContact C-N 3.27Å; T25-G27 PolarHBondContact O-N 2.96Å; T25-T28 PolarHBondContact N-OG1 2.83Å; T25-T28 PolarHBondContact O-N 3.22Å; T25-T28 PolarHBondContact O-OG1 2.74Å; T25-T28 WeakPolarHBondContact OG1-CG2 3.27Å; T25-T28 PolarHBondContact OG1-N 3.47Å; T25-T28 PolarHBondContact OG1-OG1 3.21Å; T25-T28 VanDerWaalsContact OG1-OG1 3.08Å; T25-V29 PolarHBondContact O-N 3.14Å; T25-V29 VanDerWaalsContact O-N 3.08Å
26C87.4Confident86.7Confident11 Ų1148.3 Ų48.37%0.07426%0.263CS..Hα-helixtrans-57.9-42.1-177.8-1560000112.2T28 V29 K30 C62 E527 N528C26-T28 VanDerWaalsContact C-N 3.28Å; C26-T28 PolarHBondContact O-N 3.13Å; C26-V29 PolarHBondContact O-N 3.28Å; C26-V29 VanDerWaalsContact O-N 3.16Å; C26-K30 PolarHBondContact O-N 3.13Å; C26-C62 WeakPolarHBondContact CA-SG 3.43Å; C26-C62 HydrophobicContact CB-CB 3.66Å; C26-C62 WeakPolarHBondContact CB-SG 3.21Å; C26-C62 WeakPolarHBondContact SG-CB 3.16Å; C26-C62 CovalentContact SG-SG 2.03Å; C26-C62 PolarHBondContact SG-SG 3.49Å; C26-E527 VanDerWaalsContact SG-CB 3.58Å; C26-N528 PolarHBondContact SG-OD1 3.02Å
27G83.7Confident86.7Confident7 Ų748.3 Ų48.37%0.07226%0.263CS..Hα-helixtrans-61.5-31.117600000114.1T25T25-G27 VanDerWaalsContact C-N 3.27Å; T25-G27 PolarHBondContact O-N 2.96Å
28T82.4Confident86.7Confident11 Ų1148.6 Ų48.67%0.06727%0.265CS..Hα-helixtrans-75.8-38174.3530000112.9P4 T25 C26 K30 K31 I455P4-T28 HydrophobicContact CG-CG2 4.14Å; T25-T28 PolarHBondContact N-OG1 2.83Å; T25-T28 PolarHBondContact O-N 3.22Å; T25-T28 PolarHBondContact O-OG1 2.74Å; T25-T28 WeakPolarHBondContact OG1-CG2 3.27Å; T25-T28 PolarHBondContact OG1-N 3.47Å; T25-T28 PolarHBondContact OG1-OG1 3.21Å; T25-T28 VanDerWaalsContact OG1-OG1 3.08Å; C26-T28 VanDerWaalsContact C-N 3.28Å; C26-T28 PolarHBondContact O-N 3.13Å; T28-K30 VanDerWaalsContact C-N 3.34Å; T28-K31 PolarHBondContact O-N 2.91Å; T28-I455 HydrophobicContact CG2-CG2 3.98Å
29V83.5Confident86.8Confident3 Ų351.5 Ų51.52%0.01828%0.276CS..Hα-helixtrans-71.3-30.7-179.2178.60000111.3F24 T25 C26 K31 M32 I37 L40 L66F24-V29 HydrophobicContact CB-CG2 3.99Å; F24-V29 HydrophobicContact CD2-CG2 3.39Å; F24-V29 HydrophobicContact CE2-CG2 4.16Å; F24-V29 HydrophobicContact CG-CG2 3.91Å; T25-V29 PolarHBondContact O-N 3.14Å; T25-V29 VanDerWaalsContact O-N 3.08Å; C26-V29 PolarHBondContact O-N 3.28Å; C26-V29 VanDerWaalsContact O-N 3.16Å; V29-K31 PolarHBondContact O-N 3.38Å; V29-K31 VanDerWaalsContact O-N 3.09Å; V29-M32 HydrophobicContact CG1-SD 4.38Å; V29-M32 VanDerWaalsContact O-CB 3.24Å; V29-M32 WeakPolarHBondContact O-CB 3.37Å; V29-M32 PolarHBondContact O-N 3.17Å; V29-I37 HydrophobicContact CG1-CB 4.37Å; V29-I37 HydrophobicContact CG1-CD1 4.1Å; V29-I37 HydrophobicContact CG1-CG1 3.7Å; V29-I37 HydrophobicContact CG1-CG2 4.01Å; V29-L40 HydrophobicContact CG2-CD2 3.8Å; V29-L66 HydrophobicContact CB-CD1 4.25Å; V29-L66 HydrophobicContact CG1-CD1 3.56Å
30K77.8Confident87Confident78 Ų7844 Ų4434%0.33924%0.243SC..THydrogen-bonded Turntrans-50.9-33.3173.2-176.3-174.3-179.1149.10113.9C26 T28 M32 N497 E527C26-K30 PolarHBondContact O-N 3.13Å; T28-K30 VanDerWaalsContact C-N 3.34Å; K30-M32 PolarHBondContact O-N 3.36Å; K30-N497 PolarHBondContact NZ-OD1 3.36Å; K30-E527 HydrophobicContact CB-CG 3.89Å; K30-E527 HydrophobicContact CD-CG 3.72Å; K30-E527 WeakPolarHBondContact CD-OE1 3.48Å; K30-E527 WeakPolarHBondContact CE-OE1 3.4Å; K30-E527 HydrophobicContact CG-CG 3.81Å; K30-E527 IonicContact NZ-OE1 2.75Å; K30-E527 PolarHBondContact NZ-OE1 3.16Å
31K79.8Confident87.3Confident128 Ų12842 Ų4256%0.55723%0.231SC*.THydrogen-bonded Turntrans-76.2-10-179.3-64-172.1176.8-174.10113.2T28 V29T28-K31 PolarHBondContact O-N 2.91Å; V29-K31 PolarHBondContact O-N 3.38Å; V29-K31 VanDerWaalsContact O-N 3.09Å
32M86.9Confident87.5Confident14 Ų1444.7 Ų44.77%0.06924%0.244CC..SBendtrans-85153.8-179.9-60.5-179.2173.700111.5F3 L6 A7 V29 K30 K36 I37 L40F3-M32 HydrophobicContact CB-CE 4.36Å; F3-M32 HydrophobicContact CD1-CE 4.12Å; F3-M32 VanDerWaalsContact O-CE 3.24Å; F3-M32 WeakPolarHBondContact O-CE 3.48Å; L6-M32 HydrophobicContact CB-CE 4.33Å; A7-M32 HydrophobicContact CB-CB 4.41Å; A7-M32 HydrophobicContact CB-CE 4.14Å; A7-M32 HydrophobicContact CB-CG 3.51Å; V29-M32 HydrophobicContact CG1-SD 4.38Å; V29-M32 VanDerWaalsContact O-CB 3.24Å; V29-M32 WeakPolarHBondContact O-CB 3.37Å; V29-M32 PolarHBondContact O-N 3.17Å; K30-M32 PolarHBondContact O-N 3.36Å; M32-K36 HydrophobicContact CB-CB 4.25Å; M32-K36 HydrophobicContact CB-CG 4.4Å; M32-K36 HydrophobicContact CG-CG 4.5Å; M32-K36 HydrophobicContact SD-CG 4.25Å; M32-I37 HydrophobicContact CB-CD1 4.44Å; M32-I37 HydrophobicContact CB-CG1 3.78Å; M32-L40 HydrophobicContact SD-CD2 4.27Å
33T88.5Confident87.8Confident90 Ų9042 Ų4255%0.55223%0.231SC*.  trans-71.6151.6169.963.90000110.5K36 I37T33-K36 WeakPolarHBondContact O-CB 3.4Å; T33-K36 PolarHBondContact O-N 3.12Å; T33-I37 WeakPolarHBondContact O-CG1 3.14Å; T33-I37 PolarHBondContact O-N 2.85Å
34K88.3Confident88.2Confident126 Ų12639.8 Ų39.855%0.54821%0.208SC..Hα-helixtrans-48.2-47.1177.4-78-171.1169.3-161.70113.9K36 I37 S38 D70K34-K36 VanDerWaalsContact C-N 3.29Å; K34-K36 PolarHBondContact O-N 2.97Å; K34-I37 WeakPolarHBondContact O-CB 3.35Å; K34-I37 PolarHBondContact O-N 3.14Å; K34-S38 PolarHBondContact O-N 3.35Å; K34-S38 PolarHBondContact O-OG 2.87Å; K34-D70 IonicContact NZ-OD2 2.74Å; K34-D70 PolarHBondContact NZ-OD2 2.59Å
35P89.1Confident88.6Confident86 Ų8642 Ų4256%0.55822%0.216SC*.Hα-helixtrans-59.1-39.2177.4-25.235.7000113.2S38 Q39P35-S38 PolarHBondContact O-N 2.67Å; P35-Q39 WeakPolarHBondContact O-CG 3.26Å; P35-Q39 PolarHBondContact O-N 3.01Å
36K89.2Confident88.9Confident16 Ų1643.5 Ų43.57%0.0723%0.227CC..Hα-helixtrans-68.7-37.2178.3-16770.6177.9-165.30111.8L6 A9 F11 M32 T33 K34 Q39 L40L6-K36 VanDerWaalsContact O-CE 3.27Å; L6-K36 WeakPolarHBondContact O-CE 3.48Å; A9-K36 PolarHBondContact O-NZ 3.47Å; F11-K36 PolarHBondContact O-NZ 3.36Å; M32-K36 HydrophobicContact CB-CB 4.25Å; M32-K36 HydrophobicContact CB-CG 4.4Å; M32-K36 HydrophobicContact CG-CG 4.5Å; M32-K36 HydrophobicContact SD-CG 4.25Å; T33-K36 WeakPolarHBondContact O-CB 3.4Å; T33-K36 PolarHBondContact O-N 3.12Å; K34-K36 VanDerWaalsContact C-N 3.29Å; K34-K36 PolarHBondContact O-N 2.97Å; K36-Q39 PolarHBondContact O-N 2.96Å; K36-L40 WeakPolarHBondContact O-CB 3.43Å; K36-L40 PolarHBondContact O-N 3.5Å
37I90.8Very high89.1Confident10 Ų1045.8 Ų45.85%0.05123%0.234CC..Hα-helixtrans-60.8-48.1172.9-61.5173.8000110V29 M32 T33 K34 Q39 L40 I41 L66 I67V29-I37 HydrophobicContact CG1-CB 4.37Å; V29-I37 HydrophobicContact CG1-CD1 4.1Å; V29-I37 HydrophobicContact CG1-CG1 3.7Å; V29-I37 HydrophobicContact CG1-CG2 4.01Å; M32-I37 HydrophobicContact CB-CD1 4.44Å; M32-I37 HydrophobicContact CB-CG1 3.78Å; T33-I37 WeakPolarHBondContact O-CG1 3.14Å; T33-I37 PolarHBondContact O-N 2.85Å; K34-I37 WeakPolarHBondContact O-CB 3.35Å; K34-I37 PolarHBondContact O-N 3.14Å; I37-Q39 VanDerWaalsContact C-N 3.33Å; I37-Q39 PolarHBondContact O-N 3.26Å; I37-L40 PolarHBondContact O-N 3.34Å; I37-I41 HydrophobicContact CG2-CD1 3.83Å; I37-I41 HydrophobicContact CG2-CG1 4.45Å; I37-I41 WeakPolarHBondContact O-CG1 3.41Å; I37-I41 PolarHBondContact O-N 3.21Å; I37-L66 HydrophobicContact CD1-CD1 4.4Å; I37-L66 HydrophobicContact CD1-CD2 4.46Å; I37-L66 HydrophobicContact CG2-CB 4.16Å; I37-L66 HydrophobicContact CG2-CD1 4.15Å; I37-I67 HydrophobicContact CG2-CG2 4.08Å
38S91.2Very high89.3Confident60 Ų6055.9 Ų55.942%0.4228%0.275SS..Hα-helixtrans-60-41.7177-60.90000112.2K34 P35 I41 H42K34-S38 PolarHBondContact O-N 3.35Å; K34-S38 PolarHBondContact O-OG 2.87Å; P35-S38 PolarHBondContact O-N 2.67Å; S38-I41 PolarHBondContact O-N 3.32Å; S38-H42 VanDerWaalsContact O-CB 3.27Å; S38-H42 WeakPolarHBondContact O-CB 3.35Å; S38-H42 PolarHBondContact O-N 3.04Å
39Q91.9Very high89.6Confident95 Ų9559.6 Ų59.644%0.44432%0.316SS..Hα-helixtrans-62.8-40.8174.7-73.7175.5-7.400112.6T13 P35 K36 I37 H42 A43T13-Q39 VanDerWaalsContact OG1-C 3.29Å; T13-Q39 PolarHBondContact OG1-O 2.78Å; T13-Q39 VanDerWaalsContact OG1-O 3.05Å; P35-Q39 WeakPolarHBondContact O-CG 3.26Å; P35-Q39 PolarHBondContact O-N 3.01Å; K36-Q39 PolarHBondContact O-N 2.96Å; I37-Q39 VanDerWaalsContact C-N 3.33Å; I37-Q39 PolarHBondContact O-N 3.26Å; Q39-H42 PolarHBondContact O-N 3.34Å; Q39-A43 WeakPolarHBondContact O-CB 3.19Å; Q39-A43 PolarHBondContact O-N 3.16Å
40L92.7Very high89.8Confident3 Ų362.4 Ų62.42%0.01633%0.326CS..Hα-helixtrans-64.3-46.6176.3178.867.2000111.3F3 L21 F24 V29 M32 K36 I37 H42 A43 C44F3-L40 HydrophobicContact CE1-CD1 3.91Å; F3-L40 HydrophobicContact CE1-CD2 4.45Å; L21-L40 HydrophobicContact CD2-CD1 3.59Å; F24-L40 HydrophobicContact CD1-CD2 4.45Å; F24-L40 HydrophobicContact CG-CD2 4.36Å; V29-L40 HydrophobicContact CG2-CD2 3.8Å; M32-L40 HydrophobicContact SD-CD2 4.27Å; K36-L40 WeakPolarHBondContact O-CB 3.43Å; K36-L40 PolarHBondContact O-N 3.5Å; I37-L40 PolarHBondContact O-N 3.34Å; L40-H42 VanDerWaalsContact C-N 3.34Å; L40-A43 PolarHBondContact O-N 3.3Å; L40-C44 PolarHBondContact O-N 2.96Å; L40-C44 PolarHBondContact O-SG 3.18Å
41I93.9Very high90.4Very high2 Ų262.2 Ų62.21%0.0134%0.339CS..Hα-helixtrans-62.1-45.1177.5-67.9171.7000110.4I37 S38 A43 C44 M63 I67 Y78 P79 M82I37-I41 HydrophobicContact CG2-CD1 3.83Å; I37-I41 HydrophobicContact CG2-CG1 4.45Å; I37-I41 WeakPolarHBondContact O-CG1 3.41Å; I37-I41 PolarHBondContact O-N 3.21Å; S38-I41 PolarHBondContact O-N 3.32Å; I41-A43 VanDerWaalsContact C-N 3.3Å; I41-A43 PolarHBondContact O-N 3Å; I41-C44 WeakPolarHBondContact O-CB 3.26Å; I41-C44 PolarHBondContact O-N 2.98Å; I41-M63 HydrophobicContact CD1-CB 3.87Å; I41-M63 HydrophobicContact CD1-CG 4.05Å; I41-M63 HydrophobicContact CG1-CB 4.1Å; I41-M63 HydrophobicContact CG1-CE 3.91Å; I41-M63 HydrophobicContact CG1-CG 3.78Å; I41-M63 HydrophobicContact CG1-SD 4.15Å; I41-I67 HydrophobicContact CD1-CB 4.49Å; I41-I67 HydrophobicContact CD1-CD1 3.88Å; I41-I67 HydrophobicContact CD1-CG1 4.16Å; I41-I67 HydrophobicContact CD1-CG2 3.56Å; I41-I67 HydrophobicContact CG2-CD1 4.32Å; I41-Y78 HydrophobicContact CG2-CD1 3.91Å; I41-P79 HydrophobicContact CG2-CG 4.37Å; I41-P79 WeakPolarHBondContact O-CD 3.33Å; I41-M82 HydrophobicContact CG2-SD 3.87Å
42H94.5Very high91Very high57 Ų5760.1 Ų60.126%0.26433%0.33SS..Hα-helixtrans-57.6-45.5176.2-169.167.7000111.1E14 S38 Q39 L40 C44 R45 D77E14-H42 IonicContact OE1-CD2 3.66Å; E14-H42 PolarHBondContact OE1-CD2 2.95Å; E14-H42 VanDerWaalsContact OE1-CD2 3.31Å; S38-H42 VanDerWaalsContact O-CB 3.27Å; S38-H42 WeakPolarHBondContact O-CB 3.35Å; S38-H42 PolarHBondContact O-N 3.04Å; Q39-H42 PolarHBondContact O-N 3.34Å; L40-H42 VanDerWaalsContact C-N 3.34Å; H42-C44 PolarHBondContact O-N 3.49Å; H42-C44 VanDerWaalsContact O-N 3.09Å; H42-R45 VanDerWaalsContact C-NH1 3.29Å; H42-R45 PolarHBondContact CD2-NH1 2.75Å; H42-R45 VanDerWaalsContact CE1-CD 3.48Å; H42-R45 WeakPolarHBondContact CE1-CD 3.45Å; H42-R45 VanDerWaalsContact CE1-CZ 3.45Å; H42-R45 PolarHBondContact CE1-NE 3.29Å; H42-R45 VanDerWaalsContact CE1-NE 3.27Å; H42-R45 PolarHBondContact NE2-NE 2.97Å; H42-R45 PolarHBondContact NE2-NH1 2.98Å; H42-R45 PolarHBondContact NE2-NH2 3.18Å; H42-R45 VanDerWaalsContact NE2-NH2 3.14Å; H42-R45 VanDerWaalsContact O-CB 3.24Å; H42-R45 WeakPolarHBondContact O-CB 3.43Å; H42-R45 WeakPolarHBondContact O-CD 3.44Å; H42-R45 WeakPolarHBondContact O-CG 3.3Å; H42-R45 PolarHBondContact O-N 3.09Å; H42-R45 PolarHBondContact O-NH1 2.69Å; H42-D77 WeakPolarHBondContact CA-O 3.48Å; H42-D77 IonicContact CE1-OD1 3.56Å; H42-D77 PolarHBondContact CE1-OD1 3.33Å; H42-D77 PolarHBondContact ND1-O 3.24Å; H42-D77 IonicContact ND1-OD1 3.57Å
43A94.6Very high91.3Very high0 Ų059.7 Ų59.70%033%0.328CS..Hα-helixtrans-59.6-23.7177.300000113.3T13 E14 L21 Q39 L40 I41 R45 R47T13-A43 WeakPolarHBondContact O-CB 3.43Å; E14-A43 WeakPolarHBondContact OE1-CA 3.45Å; E14-A43 PolarHBondContact OE1-N 3.04Å; L21-A43 HydrophobicContact CD1-CB 3.98Å; L21-A43 VanDerWaalsContact CD1-O 3.29Å; L21-A43 WeakPolarHBondContact CD1-O 3.48Å; L21-A43 HydrophobicContact CD2-CB 4.11Å; Q39-A43 WeakPolarHBondContact O-CB 3.19Å; Q39-A43 PolarHBondContact O-N 3.16Å; L40-A43 PolarHBondContact O-N 3.3Å; I41-A43 VanDerWaalsContact C-N 3.3Å; I41-A43 PolarHBondContact O-N 3Å; A43-R45 VanDerWaalsContact C-N 3.32Å; A43-R45 PolarHBondContact O-N 3.09Å; A43-R47 PolarHBondContact O-NH2 3.08Å
44C95.4Very high91.5Very high4 Ų461.8 Ų61.83%0.02733%0.332CS..THydrogen-bonded Turntrans-81.5-4.7175.7-66.40000114.3L40 I41 H42 V53 L55 M63 P79L40-C44 PolarHBondContact O-N 2.96Å; L40-C44 PolarHBondContact O-SG 3.18Å; I41-C44 WeakPolarHBondContact O-CB 3.26Å; I41-C44 PolarHBondContact O-N 2.98Å; H42-C44 PolarHBondContact O-N 3.49Å; H42-C44 VanDerWaalsContact O-N 3.09Å; C44-V53 HydrophobicContact CB-CB 4.46Å; C44-V53 HydrophobicContact CB-CG2 4.47Å; C44-L55 HydrophobicContact CB-CD1 4.13Å; C44-M63 HydrophobicContact CB-CE 4.17Å; C44-P79 HydrophobicContact CB-CB 4.46Å; C44-P79 HydrophobicContact CB-CG 3.51Å
45R94.8Very high91.8Very high49 Ų4956.1 Ų56.119%0.18531%0.308CS..SBendtrans-63.4154.1179.781-165.9172.5-70.25.2112.8E14 H42 A43 R47 T76E14-R45 VanDerWaalsContact CD-NH1 3.25Å; E14-R45 IonicContact OE1-CZ 3.93Å; E14-R45 IonicContact OE1-NH1 2.7Å; E14-R45 PolarHBondContact OE1-NH1 2.78Å; E14-R45 IonicContact OE1-NH2 2.76Å; E14-R45 IonicContact OE2-CZ 2.77Å; E14-R45 IonicContact OE2-NH1 2.63Å; E14-R45 PolarHBondContact OE2-NH1 3Å; E14-R45 VanDerWaalsContact OE2-NH1 3.09Å; E14-R45 IonicContact OE2-NH2 3.71Å; E14-R45 PolarHBondContact OE2-NH2 2.78Å; H42-R45 VanDerWaalsContact C-NH1 3.29Å; H42-R45 PolarHBondContact CD2-NH1 2.75Å; H42-R45 VanDerWaalsContact CE1-CD 3.48Å; H42-R45 WeakPolarHBondContact CE1-CD 3.45Å; H42-R45 VanDerWaalsContact CE1-CZ 3.45Å; H42-R45 PolarHBondContact CE1-NE 3.29Å; H42-R45 VanDerWaalsContact CE1-NE 3.27Å; H42-R45 PolarHBondContact NE2-NE 2.97Å; H42-R45 PolarHBondContact NE2-NH1 2.98Å; H42-R45 PolarHBondContact NE2-NH2 3.18Å; H42-R45 VanDerWaalsContact NE2-NH2 3.14Å; H42-R45 VanDerWaalsContact O-CB 3.24Å; H42-R45 WeakPolarHBondContact O-CB 3.43Å; H42-R45 WeakPolarHBondContact O-CD 3.44Å; H42-R45 WeakPolarHBondContact O-CG 3.3Å; H42-R45 PolarHBondContact O-N 3.09Å; H42-R45 PolarHBondContact O-NH1 2.69Å; A43-R45 VanDerWaalsContact C-N 3.32Å; A43-R45 PolarHBondContact O-N 3.09Å; R45-R47 HydrophobicContact CG-CG 4.22Å; R45-R47 PolarHBondContact O-N 3.39Å; R45-T76 WeakPolarHBondContact CD-O 3.08Å
46P91.4Very high91.9Very high64 Ų6458.6 Ų58.642%0.41631%0.31SS..  trans-59.2133.7172.1-2233.9000111.7
47R90.6Very high92Very high59 Ų5958 Ų5822%0.22331%0.307CS..  trans-132139.4177.9-62.9-174.8-119.71741110.7E14 A43 R45 G49 R50E14-R47 PolarHBondContact O-NH1 3.3Å; E14-R47 PolarHBondContact O-NH2 3Å; E14-R47 IonicContact OE2-CZ 3.76Å; E14-R47 IonicContact OE2-NE 2.61Å; E14-R47 IonicContact OE2-NH1 3.31Å; E14-R47 PolarHBondContact OE2-NH1 2.99Å; E14-R47 IonicContact OE2-NH2 2.8Å; A43-R47 PolarHBondContact O-NH2 3.08Å; R45-R47 HydrophobicContact CG-CG 4.22Å; R45-R47 PolarHBondContact O-N 3.39Å; R47-G49 PolarHBondContact O-N 2.75Å; R47-R50 HydrophobicContact CB-CB 4.08Å; R47-R50 VanDerWaalsContact NH2-CZ 3.33Å; R47-R50 PolarHBondContact O-N 3.34Å
48K88.7Confident92Very high218 Ų21858.5 Ų58.595%0.94831%0.311SS*.THydrogen-bonded Turntrans-62.6131.9177.5-170.8177.7-179.7-179.50109.9R50K48-R50 VanDerWaalsContact C-N 3.27Å; K48-R50 PolarHBondContact O-N 3.29Å
49G87.3Confident92.1Very high90 Ų9056.7 Ų56.793%0.92830%0.296SS*.THydrogen-bonded Turntrans76.28.617900000115R47R47-G49 PolarHBondContact O-N 2.75Å
50R89.4Confident92.2Very high61 Ų6152.1 Ų52.123%0.2328%0.275CS..SBendtrans-123.8139.9176.9-177.5-178.2160.7137.24.6109.8E14 L16 P18 R47 K48E14-R50 PolarHBondContact O-NH1 3.2Å; L16-R50 VanDerWaalsContact O-CZ 3.25Å; L16-R50 PolarHBondContact O-NH1 3.43Å; L16-R50 PolarHBondContact O-NH2 3.16Å; P18-R50 HydrophobicContact CG-CG 4.1Å; P18-R50 VanDerWaalsContact N-NH2 3.19Å; R47-R50 HydrophobicContact CB-CB 4.08Å; R47-R50 VanDerWaalsContact NH2-CZ 3.33Å; R47-R50 PolarHBondContact O-N 3.34Å; K48-R50 VanDerWaalsContact C-N 3.27Å; K48-R50 PolarHBondContact O-N 3.29Å
51A90.4Very high92.3Very high74 Ų7452.1 Ų52.161%0.61228%0.275SS*.PPolyproline II helixtrans-60142.1172.800000110.9P18P18-A51 HydrophobicContact CG-CB 4.4Å
52K91.1Very high92.2Very high84 Ų8452 Ų5237%0.36527%0.274SS..PPolyproline II helixtrans-60.5140.3175.3-172.6-177.9177.5-171.80109.6E54 D81K52-E54 PolarHBondContact O-N 2.91Å; K52-D81 WeakPolarHBondContact CE-OD2 3.37Å; K52-D81 IonicContact NZ-OD1 3.46Å; K52-D81 PolarHBondContact NZ-OD1 3.43Å; K52-D81 IonicContact NZ-OD2 2.67Å; K52-D81 PolarHBondContact NZ-OD2 2.92Å
53V94.2Very high92.2Very high5 Ų549.4 Ų49.43%0.0326%0.262CS..PPolyproline II helixtrans-75.7118.4170.7-174.30000108P18 L21 Q22 C44 L55P18-V53 HydrophobicContact CB-CG2 4.13Å; L21-V53 HydrophobicContact CB-CG1 3.88Å; L21-V53 HydrophobicContact CB-CG2 4.27Å; L21-V53 HydrophobicContact CD1-CG2 3.97Å; Q22-V53 HydrophobicContact CB-CG1 4.46Å; C44-V53 HydrophobicContact CB-CB 4.46Å; C44-V53 HydrophobicContact CB-CG2 4.47Å; V53-L55 HydrophobicContact CG1-CD2 3.94Å; V53-L55 HydrophobicContact CG1-CG 4.11Å; V53-L55 PolarHBondContact O-N 3.38Å
54E92.7Very high92.1Very high134 Ų13449.9 Ų49.963%0.62626%0.264SS*.  trans-82.594.3-179.4-66-171.3166.500110.7Q22 K52Q22-E54 VanDerWaalsContact CD-O 3.28Å; Q22-E54 VanDerWaalsContact CG-O 3.22Å; Q22-E54 WeakPolarHBondContact CG-O 3.27Å; Q22-E54 PolarHBondContact NE2-O 3.19Å; K52-E54 PolarHBondContact O-N 2.91Å
55L93.4Very high91.9Very high8 Ų850.9 Ų50.94%0.04227%0.269CS..  trans-93.3142.2179.7-63.4171.6000111F24 C44 V53 Q59 L60 M63 P79 V110F24-L55 HydrophobicContact CE1-CD2 3.65Å; F24-L55 HydrophobicContact CZ-CD2 4.27Å; C44-L55 HydrophobicContact CB-CD1 4.13Å; V53-L55 HydrophobicContact CG1-CD2 3.94Å; V53-L55 HydrophobicContact CG1-CG 4.11Å; V53-L55 PolarHBondContact O-N 3.38Å; L55-Q59 HydrophobicContact CD2-CB 4.49Å; L55-L60 HydrophobicContact CB-CD2 3.62Å; L55-L60 HydrophobicContact CB-CG 3.97Å; L55-L60 HydrophobicContact CD1-CD2 3.59Å; L55-L60 HydrophobicContact CG-CD2 4.26Å; L55-M63 HydrophobicContact CD1-CE 4.22Å; L55-M63 HydrophobicContact CD1-SD 3.86Å; L55-M63 HydrophobicContact CD2-CE 4.42Å; L55-P79 HydrophobicContact CD1-CB 3.89Å; L55-P79 HydrophobicContact CD1-CG 3.95Å; L55-V110 WeakPolarHBondContact O-CG2 3.44Å
56K91.9Very high91.6Very high138 Ų13850.1 Ų50.160%0.627%0.269SS*.  trans-87.2156174.1-60.7-173.2177.1-171.90111.3Q59 L60K56-Q59 WeakPolarHBondContact O-CA 3.35Å; K56-Q59 VanDerWaalsContact O-CB 3.3Å; K56-Q59 WeakPolarHBondContact O-CB 3.5Å; K56-Q59 PolarHBondContact O-N 2.94Å; K56-L60 WeakPolarHBondContact O-CG 3.43Å; K56-L60 PolarHBondContact O-N 3.27Å; K56-L60 VanDerWaalsContact O-N 3.08Å
57E92.2Very high91.5Very high2 Ų247.5 Ų47.51%0.00925%0.251CS..Hα-helixtrans-48.3-48.6179165.5158.7-94.100113.6Q59 L60 T61 Y85 A111 S112 L115E57-Q59 VanDerWaalsContact C-N 3.25Å; E57-Q59 PolarHBondContact O-N 3.01Å; E57-L60 WeakPolarHBondContact O-CB 3.24Å; E57-L60 PolarHBondContact O-N 3.42Å; E57-T61 HydrophobicContact CG-CG2 4.37Å; E57-T61 PolarHBondContact O-N 3Å; E57-T61 PolarHBondContact O-OG1 3.25Å; E57-Y85 WeakPolarHBondContact CB-OH 3.3Å; E57-Y85 VanDerWaalsContact CD-OH 3.29Å; E57-Y85 HydrophobicContact CG-CE1 4.32Å; E57-Y85 WeakPolarHBondContact CG-OH 3.36Å; E57-Y85 PolarHBondContact OE1-OH 3.1Å; E57-A111 VanDerWaalsContact OE1-CA 3.25Å; E57-A111 WeakPolarHBondContact OE1-CA 2.95Å; E57-S112 PolarHBondContact OE1-N 2.97Å; E57-S112 PolarHBondContact OE1-OG 3.42Å; E57-S112 WeakPolarHBondContact OE2-CB 3.19Å; E57-S112 PolarHBondContact OE2-N 3.36Å; E57-S112 PolarHBondContact OE2-OG 3.35Å; E57-L115 WeakPolarHBondContact OE1-CD1 3.28Å
58P90.1Very high91.4Very high22 Ų2249 Ų4914%0.14326%0.257CS..Hα-helixtrans-61-29.2176.3-28.436.9000115.3T61 C62 D501 D503P58-T61 PolarHBondContact O-OG1 2.9Å; P58-C62 WeakPolarHBondContact O-CB 3.43Å; P58-C62 PolarHBondContact O-N 3.49Å; P58-C62 VanDerWaalsContact O-N 3.16Å; P58-D501 HydrophobicContact CB-CB 3.59Å; P58-D501 HydrophobicContact CG-CB 3.89Å; P58-D503 WeakPolarHBondContact CG-OD2 3.45Å
59Q92.4Very high91.2Very high21 Ų2142 Ų4210%0.09825%0.246CC..Hα-helixtrans-72.2-39.8175.2-67.9177.3-59.600110.5Q22 F24 L55 K56 E57 M63Q22-Q59 PolarHBondContact O-NE2 3.08Å; F24-Q59 HydrophobicContact CE1-CB 4.33Å; F24-Q59 HydrophobicContact CE2-CB 4.02Å; F24-Q59 HydrophobicContact CE2-CG 4.14Å; F24-Q59 HydrophobicContact CZ-CB 3.59Å; F24-Q59 HydrophobicContact CZ-CG 4.01Å; F24-Q59 PolarHBondContact O-NE2 3.16Å; L55-Q59 HydrophobicContact CD2-CB 4.49Å; K56-Q59 WeakPolarHBondContact O-CA 3.35Å; K56-Q59 VanDerWaalsContact O-CB 3.3Å; K56-Q59 WeakPolarHBondContact O-CB 3.5Å; K56-Q59 PolarHBondContact O-N 2.94Å; E57-Q59 VanDerWaalsContact C-N 3.25Å; E57-Q59 PolarHBondContact O-N 3.01Å; Q59-M63 WeakPolarHBondContact O-CB 3.22Å; Q59-M63 VanDerWaalsContact O-CG 3.22Å; Q59-M63 WeakPolarHBondContact O-CG 3.41Å; Q59-M63 PolarHBondContact O-N 3.31Å
60L94.9Very high91.1Very high0 Ų042.5 Ų42.50%023%0.227CC..Hα-helixtrans-68.4-44.3179.5-62.3171.3000111.9L55 K56 E57 M63 Y64 D81 M82 Y85 V110L55-L60 HydrophobicContact CB-CD2 3.62Å; L55-L60 HydrophobicContact CB-CG 3.97Å; L55-L60 HydrophobicContact CD1-CD2 3.59Å; L55-L60 HydrophobicContact CG-CD2 4.26Å; K56-L60 WeakPolarHBondContact O-CG 3.43Å; K56-L60 PolarHBondContact O-N 3.27Å; K56-L60 VanDerWaalsContact O-N 3.08Å; E57-L60 WeakPolarHBondContact O-CB 3.24Å; E57-L60 PolarHBondContact O-N 3.42Å; L60-M63 PolarHBondContact O-N 2.66Å; L60-Y64 PolarHBondContact O-N 3.05Å; L60-D81 HydrophobicContact CD1-CB 3.68Å; L60-D81 HydrophobicContact CD2-CB 3.86Å; L60-D81 HydrophobicContact CG-CB 4.45Å; L60-M82 HydrophobicContact CD2-CB 4.04Å; L60-Y85 HydrophobicContact CB-CD2 3.81Å; L60-Y85 HydrophobicContact CB-CE2 3.46Å; L60-Y85 VanDerWaalsContact CB-CE2 3.46Å; L60-Y85 HydrophobicContact CD1-CE2 3.85Å; L60-Y85 HydrophobicContact CG-CE2 4.29Å; L60-V110 HydrophobicContact CD1-CB 4.47Å; L60-V110 HydrophobicContact CD1-CG1 3.8Å; L60-V110 HydrophobicContact CD1-CG2 3.77Å
61T93.8Very high91.1Very high2 Ų241.1 Ų41.11%0.01222%0.224CC..Hα-helixtrans-64.2-44.1175.859.20000111E57 P58 M63 Y64 N65 Y85 D531 L534E57-T61 HydrophobicContact CG-CG2 4.37Å; E57-T61 PolarHBondContact O-N 3Å; E57-T61 PolarHBondContact O-OG1 3.25Å; P58-T61 PolarHBondContact O-OG1 2.9Å; T61-M63 PolarHBondContact O-N 3.37Å; T61-Y64 PolarHBondContact O-N 2.95Å; T61-N65 WeakPolarHBondContact O-CB 3.19Å; T61-N65 PolarHBondContact O-N 3.01Å; T61-N65 PolarHBondContact O-ND2 3.28Å; T61-Y85 HydrophobicContact CG2-CD1 3.62Å; T61-Y85 HydrophobicContact CG2-CE1 3.52Å; T61-Y85 HydrophobicContact CG2-CG 4.22Å; T61-D531 WeakPolarHBondContact CB-OD1 3.13Å; T61-D531 WeakPolarHBondContact CB-OD2 3.24Å; T61-D531 PolarHBondContact OG1-OD2 3.48Å; T61-L534 HydrophobicContact CG2-CD2 3.71Å
62C92.9Very high91.2Very high0 Ų039.6 Ų39.60%021%0.209CC..Hα-helixtrans-57-50.7173.81740000112.2C26 P58 Y64 N65 L66C26-C62 WeakPolarHBondContact CA-SG 3.43Å; C26-C62 HydrophobicContact CB-CB 3.66Å; C26-C62 WeakPolarHBondContact CB-SG 3.21Å; C26-C62 WeakPolarHBondContact SG-CB 3.16Å; C26-C62 CovalentContact SG-SG 2.03Å; C26-C62 PolarHBondContact SG-SG 3.49Å; P58-C62 WeakPolarHBondContact O-CB 3.43Å; P58-C62 PolarHBondContact O-N 3.49Å; P58-C62 VanDerWaalsContact O-N 3.16Å; C62-Y64 VanDerWaalsContact C-N 3.32Å; C62-Y64 PolarHBondContact O-N 3.49Å; C62-N65 PolarHBondContact O-N 2.82Å; C62-L66 VanDerWaalsContact O-CG 3.28Å; C62-L66 WeakPolarHBondContact O-CG 3.42Å; C62-L66 PolarHBondContact O-N 3.32Å
63M93Very high91.3Very high3 Ų337.5 Ų37.52%0.01520%0.201CC..Hα-helixtrans-55.1-48.5177.6-76.8176.8152.600111.3F24 I41 C44 L55 Q59 L60 T61 L66 I67 P79 M82F24-M63 HydrophobicContact CD1-CE 4.32Å; F24-M63 HydrophobicContact CE1-CE 3.27Å; F24-M63 HydrophobicContact CE1-SD 4.29Å; F24-M63 HydrophobicContact CE2-CE 4.34Å; F24-M63 HydrophobicContact CE2-CG 4.3Å; F24-M63 HydrophobicContact CZ-CE 3.27Å; F24-M63 HydrophobicContact CZ-CG 3.79Å; F24-M63 HydrophobicContact CZ-SD 3.8Å; I41-M63 HydrophobicContact CD1-CB 3.87Å; I41-M63 HydrophobicContact CD1-CG 4.05Å; I41-M63 HydrophobicContact CG1-CB 4.1Å; I41-M63 HydrophobicContact CG1-CE 3.91Å; I41-M63 HydrophobicContact CG1-CG 3.78Å; I41-M63 HydrophobicContact CG1-SD 4.15Å; C44-M63 HydrophobicContact CB-CE 4.17Å; L55-M63 HydrophobicContact CD1-CE 4.22Å; L55-M63 HydrophobicContact CD1-SD 3.86Å; L55-M63 HydrophobicContact CD2-CE 4.42Å; Q59-M63 WeakPolarHBondContact O-CB 3.22Å; Q59-M63 VanDerWaalsContact O-CG 3.22Å; Q59-M63 WeakPolarHBondContact O-CG 3.41Å; Q59-M63 PolarHBondContact O-N 3.31Å; L60-M63 PolarHBondContact O-N 2.66Å; T61-M63 PolarHBondContact O-N 3.37Å; M63-L66 PolarHBondContact O-N 2.79Å; M63-I67 WeakPolarHBondContact O-CG1 3.46Å; M63-I67 PolarHBondContact O-N 3.22Å; M63-P79 HydrophobicContact SD-CG 4.39Å; M63-M82 HydrophobicContact CB-CG 4.36Å; M63-M82 HydrophobicContact CB-SD 3.81Å
64Y93.2Very high91.4Very high10 Ų1042.3 Ų42.34%0.03923%0.226CC..Hα-helixtrans-60.3-48.6176.4177.2-113.5000112.6L60 T61 C62 L66 I67 R68 L71 M82 Y85 L86 D87L60-Y64 PolarHBondContact O-N 3.05Å; T61-Y64 PolarHBondContact O-N 2.95Å; C62-Y64 VanDerWaalsContact C-N 3.32Å; C62-Y64 PolarHBondContact O-N 3.49Å; Y64-L66 PolarHBondContact O-N 3.08Å; Y64-I67 PolarHBondContact O-N 3.25Å; Y64-R68 HydrophobicContact CD2-CB 4.24Å; Y64-R68 HydrophobicContact CE1-CB 4.42Å; Y64-R68 HydrophobicContact CE2-CB 3.89Å; Y64-R68 VanDerWaalsContact O-CB 3.28Å; Y64-R68 WeakPolarHBondContact O-CB 3.34Å; Y64-R68 PolarHBondContact O-N 3.09Å; Y64-L71 HydrophobicContact CD2-CD1 4.23Å; Y64-L71 HydrophobicContact CE2-CD1 3.78Å; Y64-M82 VanDerWaalsContact CA-CE 3.43Å; Y64-M82 HydrophobicContact CD2-CE 4.16Å; Y64-Y85 WeakPolarHBondContact CE1-O 3.42Å; Y64-Y85 VanDerWaalsContact CZ-O 3.31Å; Y64-L86 HydrophobicContact CE2-CB 4.18Å; Y64-L86 HydrophobicContact CE2-CG 4.35Å; Y64-D87 PolarHBondContact OH-N 2.68Å; Y64-D87 PolarHBondContact OH-OD2 3.04Å
65N91Very high91.5Very high25 Ų2536.1 Ų36.113%0.13420%0.197CC..Hα-helixtrans-59.2-35-178.9-74.8-31.1000112.5T61 C62 D531T61-N65 WeakPolarHBondContact O-CB 3.19Å; T61-N65 PolarHBondContact O-N 3.01Å; T61-N65 PolarHBondContact O-ND2 3.28Å; C62-N65 PolarHBondContact O-N 2.82Å; N65-D531 PolarHBondContact ND2-OD1 3.06Å
66L89.6Confident91.6Very high33 Ų3340.5 Ų40.517%0.17322%0.224CC..Hα-helixtrans-74-29.2179.9-70.4169.7000114.1V29 I37 C62 M63 Y64V29-L66 HydrophobicContact CB-CD1 4.25Å; V29-L66 HydrophobicContact CG1-CD1 3.56Å; I37-L66 HydrophobicContact CD1-CD1 4.4Å; I37-L66 HydrophobicContact CD1-CD2 4.46Å; I37-L66 HydrophobicContact CG2-CB 4.16Å; I37-L66 HydrophobicContact CG2-CD1 4.15Å; C62-L66 VanDerWaalsContact O-CG 3.28Å; C62-L66 WeakPolarHBondContact O-CG 3.42Å; C62-L66 PolarHBondContact O-N 3.32Å; M63-L66 PolarHBondContact O-N 2.79Å; Y64-L66 PolarHBondContact O-N 3.08Å
67I89.8Confident91.7Very high8 Ų836.2 Ų36.24%0.04121%0.208CC..Hα-helixtrans-117.2-2.4-174.771.2166.8000115.3I37 I41 M63 Y64 G69 D70 L71 Y78 M82I37-I67 HydrophobicContact CG2-CG2 4.08Å; I41-I67 HydrophobicContact CD1-CB 4.49Å; I41-I67 HydrophobicContact CD1-CD1 3.88Å; I41-I67 HydrophobicContact CD1-CG1 4.16Å; I41-I67 HydrophobicContact CD1-CG2 3.56Å; I41-I67 HydrophobicContact CG2-CD1 4.32Å; M63-I67 WeakPolarHBondContact O-CG1 3.46Å; M63-I67 PolarHBondContact O-N 3.22Å; Y64-I67 PolarHBondContact O-N 3.25Å; I67-G69 PolarHBondContact O-N 3.1Å; I67-D70 CarbonylContact O-C 3.52Å; I67-D70 PolarHBondContact O-N 3.31Å; I67-L71 HydrophobicContact CD1-CD2 3.57Å; I67-L71 HydrophobicContact CG1-CD2 3.82Å; I67-L71 HydrophobicContact CG1-CG 4.42Å; I67-L71 PolarHBondContact O-N 2.87Å; I67-Y78 HydrophobicContact CD1-CD1 3.74Å; I67-Y78 HydrophobicContact CD1-CE1 3.42Å; I67-Y78 VanDerWaalsContact CD1-CE1 3.42Å; I67-M82 HydrophobicContact CD1-CE 3.49Å; I67-M82 VanDerWaalsContact CD1-CE 3.49Å; I67-M82 HydrophobicContact CD1-SD 4.41Å; I67-M82 HydrophobicContact CG1-CE 3.65Å
68R86.8Confident91.9Very high92 Ų9237.2 Ų37.235%0.34721%0.212SC..THydrogen-bonded Turntrans-56-22.3-173.459.7-178.4-75.2-174.27.7116.4Y64 L71Y64-R68 HydrophobicContact CD2-CB 4.24Å; Y64-R68 HydrophobicContact CE1-CB 4.42Å; Y64-R68 HydrophobicContact CE2-CB 3.89Å; Y64-R68 VanDerWaalsContact O-CB 3.28Å; Y64-R68 WeakPolarHBondContact O-CB 3.34Å; Y64-R68 PolarHBondContact O-N 3.09Å; R68-L71 HydrophobicContact CB-CD1 4.36Å
69G84.3Confident92.2Very high69 Ų6936.4 Ų36.471%0.71121%0.206SC*.THydrogen-bonded Turntrans-80.9-14.4174.600000114.5I67I67-G69 PolarHBondContact O-N 3.1Å
70D86.3Confident92.3Very high101 Ų10135.6 Ų35.654%0.5420%0.203SC..SBendtrans-129.527.2-168.5-60.2-46.1000111.3K34 I67 S72K34-D70 IonicContact NZ-OD2 2.74Å; K34-D70 PolarHBondContact NZ-OD2 2.59Å; I67-D70 CarbonylContact O-C 3.52Å; I67-D70 PolarHBondContact O-N 3.31Å; D70-S72 PolarHBondContact O-N 2.9Å
71L89.3Confident92.4Very high33 Ų3335.9 Ų35.917%0.17321%0.205CC..  trans-75.5120-177.9-76.3165.4000112.3Y64 I67 R68 Y78 M82 L86Y64-L71 HydrophobicContact CD2-CD1 4.23Å; Y64-L71 HydrophobicContact CE2-CD1 3.78Å; I67-L71 HydrophobicContact CD1-CD2 3.57Å; I67-L71 HydrophobicContact CG1-CD2 3.82Å; I67-L71 HydrophobicContact CG1-CG 4.42Å; I67-L71 PolarHBondContact O-N 2.87Å; R68-L71 HydrophobicContact CB-CD1 4.36Å; L71-Y78 HydrophobicContact CD2-CD1 4.47Å; L71-Y78 HydrophobicContact CD2-CE1 3.9Å; L71-Y78 HydrophobicContact CD2-CE2 4.26Å; L71-M82 HydrophobicContact CD2-CE 4.28Å; L71-L86 HydrophobicContact CD1-CD1 3.69Å; L71-L86 HydrophobicContact CD1-CG 4.48Å; L71-L86 HydrophobicContact CD2-CD1 4.49Å
72S92.3Very high92.5Very high41 Ų4136 Ų3629%0.28721%0.205SC..  trans-69.2157.4164.880.30000111.6D70 N74 Y78D70-S72 PolarHBondContact O-N 2.9Å; S72-N74 PolarHBondContact O-N 3.32Å; S72-N74 PolarHBondContact OG-N 3.09Å; S72-Y78 WeakPolarHBondContact CB-OH 3.24Å; S72-Y78 PolarHBondContact N-OH 2.91Å; S72-Y78 PolarHBondContact OG-OH 3.34Å
73Q93.6Very high92.6Very high41 Ų4136.1 Ų36.119%0.19221%0.206CC..SBendtrans-84.83.6172.6-60.8-70.6-67.400112.9F75 N90 Q92 N95Q73-F75 VanDerWaalsContact C-N 3.32Å; Q73-F75 HydrophobicContact CB-CZ 4.45Å; Q73-F75 WeakPolarHBondContact O-CD2 3.29Å; Q73-F75 VanDerWaalsContact O-CE2 3.27Å; Q73-F75 WeakPolarHBondContact O-CE2 3.08Å; Q73-F75 PolarHBondContact O-N 3.4Å; Q73-F75 VanDerWaalsContact O-N 3.1Å; Q73-N90 PolarHBondContact NE2-O 2.69Å; Q73-Q92 HydrophobicContact CG-CG 4.3Å; Q73-N95 WeakPolarHBondContact CB-ND2 3.35Å; Q73-N95 PolarHBondContact OE1-ND2 2.63Å
74N95.3Very high92.8Very high105 Ų10536 Ų3656%0.56121%0.205SC*.  trans-84.178173.5-70.6-18.9000109S72 T76 D77S72-N74 PolarHBondContact O-N 3.32Å; S72-N74 PolarHBondContact OG-N 3.09Å; N74-T76 PolarHBondContact O-N 3.32Å; N74-D77 WeakPolarHBondContact CB-OD2 3.36Å; N74-D77 VanDerWaalsContact O-CB 3.32Å; N74-D77 WeakPolarHBondContact O-CB 3.28Å; N74-D77 PolarHBondContact O-N 3.01Å
75F95.6Very high92.9Very high5 Ų535.7 Ų35.72%0.02220%0.204CC..G310 helixtrans-61.8-18.6-170.7-58.3-68.9000114.8Q73 D77 Y78 L83 L86 V91 N95 Y99 A102Q73-F75 VanDerWaalsContact C-N 3.32Å; Q73-F75 HydrophobicContact CB-CZ 4.45Å; Q73-F75 WeakPolarHBondContact O-CD2 3.29Å; Q73-F75 VanDerWaalsContact O-CE2 3.27Å; Q73-F75 WeakPolarHBondContact O-CE2 3.08Å; Q73-F75 PolarHBondContact O-N 3.4Å; Q73-F75 VanDerWaalsContact O-N 3.1Å; F75-D77 PolarHBondContact O-N 3.35Å; F75-Y78 PolarHBondContact O-N 3.24Å; F75-L83 HydrophobicContact CB-CD1 4.04Å; F75-L83 HydrophobicContact CB-CD2 4.34Å; F75-L83 HydrophobicContact CD1-CD2 4.08Å; F75-L86 HydrophobicContact CE1-CD1 4.22Å; F75-V91 HydrophobicContact CE1-CG2 4.45Å; F75-V91 HydrophobicContact CE2-CG1 4.36Å; F75-V91 HydrophobicContact CZ-CB 4.5Å; F75-V91 HydrophobicContact CZ-CG1 4.02Å; F75-V91 HydrophobicContact CZ-CG2 4.16Å; F75-N95 HydrophobicContact CE2-CB 3.99Å; F75-Y99 AromaticContact CD1-CD2 3.74Å; F75-Y99 HydrophobicContact CD1-CD2 3.74Å; F75-Y99 HydrophobicContact CD2-CD2 4.3Å; F75-Y99 HydrophobicContact CD2-CG 4.5Å; F75-Y99 AromaticContact CE1-CD2 3.84Å; F75-Y99 HydrophobicContact CE1-CD2 3.84Å; F75-Y99 HydrophobicContact CE1-CG 4.49Å; F75-Y99 HydrophobicContact CE2-CD2 4.39Å; F75-Y99 HydrophobicContact CE2-CG 4.38Å; F75-Y99 AromaticContact CG-CD2 3.97Å; F75-Y99 HydrophobicContact CG-CD2 3.97Å; F75-Y99 HydrophobicContact CZ-CD2 4.17Å; F75-Y99 HydrophobicContact CZ-CG 4.37Å; F75-A102 HydrophobicContact CB-CB 3.74Å
76T95.5Very high93Very high99 Ų9934.6 Ų34.661%0.60720%0.198SC*.G310 helixtrans-72.9-11.7173.853.60000113.7R45 N74 Y78 A102R45-T76 WeakPolarHBondContact CD-O 3.08Å; N74-T76 PolarHBondContact O-N 3.32Å; T76-Y78 PolarHBondContact O-N 2.97Å; T76-A102 HydrophobicContact CG2-CB 4.48Å
77D94.8Very high92.8Very high49 Ų4936.3 Ų36.326%0.26221%0.207SC..G310 helixtrans-76.5-6.4175.4-67.1-21.1000112.6H42 N74 F75H42-D77 WeakPolarHBondContact CA-O 3.48Å; H42-D77 IonicContact CE1-OD1 3.56Å; H42-D77 PolarHBondContact CE1-OD1 3.33Å; H42-D77 PolarHBondContact ND1-O 3.24Å; H42-D77 IonicContact ND1-OD1 3.57Å; N74-D77 WeakPolarHBondContact CB-OD2 3.36Å; N74-D77 VanDerWaalsContact O-CB 3.32Å; N74-D77 WeakPolarHBondContact O-CB 3.28Å; N74-D77 PolarHBondContact O-N 3.01Å; F75-D77 PolarHBondContact O-N 3.35Å
78Y95.5Very high92.5Very high23 Ų2338.3 Ų38.39%0.0922%0.222CC..SBendtrans-116.2159.4-178.3-50-73.9000111.9I41 I67 L71 S72 F75 T76 S80 L83I41-Y78 HydrophobicContact CG2-CD1 3.91Å; I67-Y78 HydrophobicContact CD1-CD1 3.74Å; I67-Y78 HydrophobicContact CD1-CE1 3.42Å; I67-Y78 VanDerWaalsContact CD1-CE1 3.42Å; L71-Y78 HydrophobicContact CD2-CD1 4.47Å; L71-Y78 HydrophobicContact CD2-CE1 3.9Å; L71-Y78 HydrophobicContact CD2-CE2 4.26Å; S72-Y78 WeakPolarHBondContact CB-OH 3.24Å; S72-Y78 PolarHBondContact N-OH 2.91Å; S72-Y78 PolarHBondContact OG-OH 3.34Å; F75-Y78 PolarHBondContact O-N 3.24Å; T76-Y78 PolarHBondContact O-N 2.97Å; Y78-S80 PolarHBondContact O-N 3.42Å; Y78-L83 HydrophobicContact CD2-CD2 4.26Å
79P96Very high92.4Very high4 Ų442.5 Ų42.53%0.02625%0.246CC..  trans-56.6130.8164.8-21.134.1000110I41 C44 L55 M63 D81 M82I41-P79 HydrophobicContact CG2-CG 4.37Å; I41-P79 WeakPolarHBondContact O-CD 3.33Å; C44-P79 HydrophobicContact CB-CB 4.46Å; C44-P79 HydrophobicContact CB-CG 3.51Å; L55-P79 HydrophobicContact CD1-CB 3.89Å; L55-P79 HydrophobicContact CD1-CG 3.95Å; M63-P79 HydrophobicContact SD-CG 4.39Å; P79-D81 PolarHBondContact O-N 2.99Å; P79-M82 HydrophobicContact CB-CB 4.17Å; P79-M82 HydrophobicContact CG-CB 4.49Å; P79-M82 WeakPolarHBondContact O-CB 3.18Å; P79-M82 PolarHBondContact O-N 2.78Å
80S95.8Very high92.6Very high5 Ų542.5 Ų42.54%0.03523%0.229CC..G310 helixtrans-56.2-41.2179.849.40000111.6Y78 M82 L83 A102 A105 T106Y78-S80 PolarHBondContact O-N 3.42Å; S80-M82 PolarHBondContact O-N 3.48Å; S80-L83 WeakPolarHBondContact O-CB 3.32Å; S80-L83 PolarHBondContact O-N 3.28Å; S80-A102 WeakPolarHBondContact CB-O 3.16Å; S80-A105 PolarHBondContact OG-O 3.3Å; S80-T106 PolarHBondContact O-OG1 2.94Å
81D96.1Very high92.9Very high6 Ų638.3 Ų38.33%0.03221%0.207CC..G310 helixtrans-62.2-28.7179.2-58.3-20.2000113.6K52 L60 P79 L83 L84 T106 D107 V110K52-D81 WeakPolarHBondContact CE-OD2 3.37Å; K52-D81 IonicContact NZ-OD1 3.46Å; K52-D81 PolarHBondContact NZ-OD1 3.43Å; K52-D81 IonicContact NZ-OD2 2.67Å; K52-D81 PolarHBondContact NZ-OD2 2.92Å; L60-D81 HydrophobicContact CD1-CB 3.68Å; L60-D81 HydrophobicContact CD2-CB 3.86Å; L60-D81 HydrophobicContact CG-CB 4.45Å; P79-D81 PolarHBondContact O-N 2.99Å; D81-L83 VanDerWaalsContact C-N 3.27Å; D81-L83 PolarHBondContact O-N 3.42Å; D81-L84 WeakPolarHBondContact O-CB 3.22Å; D81-L84 WeakPolarHBondContact O-CG 3.36Å; D81-L84 PolarHBondContact O-N 3.25Å; D81-T106 HydrophobicContact CB-CG2 4.5Å; D81-T106 WeakPolarHBondContact OD1-CA 3.28Å; D81-T106 WeakPolarHBondContact OD1-CG2 3.3Å; D81-D107 PolarHBondContact OD1-N 2.75Å; D81-V110 HydrophobicContact CB-CG1 4.21Å
82M95.9Very high93Very high3 Ų342.4 Ų42.42%0.01523%0.226CC..G310 helixtrans-68.7-31.1176.8-179.1-170.5152.600111I41 L60 M63 Y64 I67 L71 P79 S80 L84 Y85I41-M82 HydrophobicContact CG2-SD 3.87Å; L60-M82 HydrophobicContact CD2-CB 4.04Å; M63-M82 HydrophobicContact CB-CG 4.36Å; M63-M82 HydrophobicContact CB-SD 3.81Å; Y64-M82 VanDerWaalsContact CA-CE 3.43Å; Y64-M82 HydrophobicContact CD2-CE 4.16Å; I67-M82 HydrophobicContact CD1-CE 3.49Å; I67-M82 VanDerWaalsContact CD1-CE 3.49Å; I67-M82 HydrophobicContact CD1-SD 4.41Å; I67-M82 HydrophobicContact CG1-CE 3.65Å; L71-M82 HydrophobicContact CD2-CE 4.28Å; P79-M82 HydrophobicContact CB-CB 4.17Å; P79-M82 HydrophobicContact CG-CB 4.49Å; P79-M82 WeakPolarHBondContact O-CB 3.18Å; P79-M82 PolarHBondContact O-N 2.78Å; S80-M82 PolarHBondContact O-N 3.48Å; M82-L84 PolarHBondContact O-N 3.28Å; M82-L84 VanDerWaalsContact O-N 3.1Å; M82-Y85 PolarHBondContact O-N 3.16Å
83L96Very high92.9Very high3 Ų349.6 Ų49.62%0.01625%0.252CS..G310 helixtrans-63.3-17-179.9-58.8178.6000112.8F75 Y78 S80 D81 Y85 L86 Y99 A102 L103F75-L83 HydrophobicContact CB-CD1 4.04Å; F75-L83 HydrophobicContact CB-CD2 4.34Å; F75-L83 HydrophobicContact CD1-CD2 4.08Å; Y78-L83 HydrophobicContact CD2-CD2 4.26Å; S80-L83 WeakPolarHBondContact O-CB 3.32Å; S80-L83 PolarHBondContact O-N 3.28Å; D81-L83 VanDerWaalsContact C-N 3.27Å; D81-L83 PolarHBondContact O-N 3.42Å; L83-Y85 PolarHBondContact O-N 2.89Å; L83-L86 PolarHBondContact O-N 3.45Å; L83-Y99 HydrophobicContact CB-CE2 3.92Å; L83-Y99 HydrophobicContact CD2-CE2 4.36Å; L83-Y99 PolarHBondContact O-OH 2.89Å; L83-A102 HydrophobicContact CD1-CB 3.63Å; L83-L103 HydrophobicContact CB-CD1 3.71Å
84L95.8Very high92.9Very high0 Ų052.1 Ų52.10%028%0.279CS..G310 helixtrans-60.2-28.4170.9-70.4169.9000113.1D81 M82 L103 T106 F108 V110 A111 K117 K121D81-L84 WeakPolarHBondContact O-CB 3.22Å; D81-L84 WeakPolarHBondContact O-CG 3.36Å; D81-L84 PolarHBondContact O-N 3.25Å; M82-L84 PolarHBondContact O-N 3.28Å; M82-L84 VanDerWaalsContact O-N 3.1Å; L84-L103 HydrophobicContact CD2-CD1 3.94Å; L84-L103 HydrophobicContact CG-CD1 4.15Å; L84-T106 HydrophobicContact CD1-CG2 3.44Å; L84-T106 VanDerWaalsContact CD1-CG2 3.44Å; L84-T106 HydrophobicContact CD2-CG2 3.85Å; L84-T106 HydrophobicContact CG-CG2 3.58Å; L84-F108 HydrophobicContact CD2-CD1 3.62Å; L84-F108 HydrophobicContact CD2-CE1 3.54Å; L84-F108 HydrophobicContact CD2-CG 4.49Å; L84-F108 HydrophobicContact CD2-CZ 4.34Å; L84-V110 HydrophobicContact CD1-CG1 3.65Å; L84-A111 HydrophobicContact CD1-CB 4.22Å; L84-K117 HydrophobicContact CD2-CB 4.4Å; L84-K117 WeakPolarHBondContact O-CD 3.27Å; L84-K117 WeakPolarHBondContact O-CE 3.37Å; L84-K117 PolarHBondContact O-NZ 3.25Å; L84-K121 HydrophobicContact CD2-CG 4.41Å; L84-K121 WeakPolarHBondContact O-CE 3.42Å
85Y94.9Very high93Very high4 Ų449 Ų492%0.01626%0.263CS..G310 helixtrans-96.1-8.1-176.1-57-84.3000112.9E57 L60 T61 Y64 M82 L83 L115 L534E57-Y85 WeakPolarHBondContact CB-OH 3.3Å; E57-Y85 VanDerWaalsContact CD-OH 3.29Å; E57-Y85 HydrophobicContact CG-CE1 4.32Å; E57-Y85 WeakPolarHBondContact CG-OH 3.36Å; E57-Y85 PolarHBondContact OE1-OH 3.1Å; L60-Y85 HydrophobicContact CB-CD2 3.81Å; L60-Y85 HydrophobicContact CB-CE2 3.46Å; L60-Y85 VanDerWaalsContact CB-CE2 3.46Å; L60-Y85 HydrophobicContact CD1-CE2 3.85Å; L60-Y85 HydrophobicContact CG-CE2 4.29Å; T61-Y85 HydrophobicContact CG2-CD1 3.62Å; T61-Y85 HydrophobicContact CG2-CE1 3.52Å; T61-Y85 HydrophobicContact CG2-CG 4.22Å; Y64-Y85 WeakPolarHBondContact CE1-O 3.42Å; Y64-Y85 VanDerWaalsContact CZ-O 3.31Å; M82-Y85 PolarHBondContact O-N 3.16Å; L83-Y85 PolarHBondContact O-N 2.89Å; Y85-L115 HydrophobicContact CE1-CD1 3.8Å; Y85-L534 HydrophobicContact CD1-CD2 3.9Å; Y85-L534 HydrophobicContact CE1-CD2 4.2Å
86L93.3Very high92.9Very high3 Ų349.2 Ų49.22%0.01627%0.265CS..SBendtrans-70.9127.6175.5-172137.7000110.9Y64 L71 F75 L83 N90 V91 Y99 K121Y64-L86 HydrophobicContact CE2-CB 4.18Å; Y64-L86 HydrophobicContact CE2-CG 4.35Å; L71-L86 HydrophobicContact CD1-CD1 3.69Å; L71-L86 HydrophobicContact CD1-CG 4.48Å; L71-L86 HydrophobicContact CD2-CD1 4.49Å; F75-L86 HydrophobicContact CE1-CD1 4.22Å; L83-L86 PolarHBondContact O-N 3.45Å; L86-N90 HydrophobicContact CD2-CB 4.48Å; L86-V91 HydrophobicContact CD2-CG2 3.31Å; L86-Y99 HydrophobicContact CB-CE2 4.32Å; L86-Y99 HydrophobicContact CD2-CD2 4.31Å; L86-Y99 HydrophobicContact CD2-CE2 3.72Å; L86-Y99 HydrophobicContact CG-CE2 4.49Å; L86-K121 PolarHBondContact O-NZ 3.15Å
87D85.9Confident92.9Very high68 Ų6850.3 Ų50.336%0.36426%0.258SS..  trans-72.8135.8176.6-57.4-54.9000110.6Y64 E89 N90Y64-D87 PolarHBondContact OH-N 2.68Å; Y64-D87 PolarHBondContact OH-OD2 3.04Å; D87-E89 PolarHBondContact O-N 2.77Å; D87-N90 WeakPolarHBondContact O-CB 3.37Å; D87-N90 PolarHBondContact O-N 3.11Å
88S83.4Confident93Very high51 Ų5150.5 Ų50.536%0.35726%0.263SS..G310 helixtrans-61.4-26-177.252.80000113.3N90 V91S88-N90 PolarHBondContact O-N 3.14Å; S88-V91 WeakPolarHBondContact O-CB 3.25Å; S88-V91 PolarHBondContact O-N 3.05Å
89E84.8Confident93.1Very high180 Ų18049.4 Ų49.484%0.84126%0.259SS*.G310 helixtrans-60.9-24.9173.6-61.7-178.1175.800112.9D87 V91D87-E89 PolarHBondContact O-N 2.77Å; E89-V91 VanDerWaalsContact C-N 3.29Å
90N87.9Confident93.2Very high68 Ų6849.3 Ų49.336%0.36426%0.258SS..G310 helixtrans-86.50.9177.2-61.6-40.8000113Q73 L86 D87 S88Q73-N90 PolarHBondContact NE2-O 2.69Å; L86-N90 HydrophobicContact CD2-CB 4.48Å; D87-N90 WeakPolarHBondContact O-CB 3.37Å; D87-N90 PolarHBondContact O-N 3.11Å; S88-N90 PolarHBondContact O-N 3.14Å
91V92.6Very high93.2Very high13 Ų1351.3 Ų51.38%0.07927%0.272CS..SBendtrans-98.9118.4176.1-176.10000109F75 L86 S88 E89 K93 Y99F75-V91 HydrophobicContact CE1-CG2 4.45Å; F75-V91 HydrophobicContact CE2-CG1 4.36Å; F75-V91 HydrophobicContact CZ-CB 4.5Å; F75-V91 HydrophobicContact CZ-CG1 4.02Å; F75-V91 HydrophobicContact CZ-CG2 4.16Å; L86-V91 HydrophobicContact CD2-CG2 3.31Å; S88-V91 WeakPolarHBondContact O-CB 3.25Å; S88-V91 PolarHBondContact O-N 3.05Å; E89-V91 VanDerWaalsContact C-N 3.29Å; V91-K93 PolarHBondContact O-N 3.04Å; V91-Y99 HydrophobicContact CG1-CD1 4.31Å; V91-Y99 HydrophobicContact CG1-CG 4.16Å; V91-Y99 HydrophobicContact CG2-CD1 3.81Å; V91-Y99 HydrophobicContact CG2-CD2 4.1Å; V91-Y99 HydrophobicContact CG2-CE1 4.09Å; V91-Y99 HydrophobicContact CG2-CE2 4.37Å; V91-Y99 HydrophobicContact CG2-CG 3.82Å
92Q92.9Very high93.2Very high119 Ų11951.7 Ų51.756%0.55628%0.276SS*.  trans-65.1137.4173.5-64.8175-3.600109.7Q73 A94 N95 C96Q73-Q92 HydrophobicContact CG-CG 4.3Å; Q92-A94 PolarHBondContact O-N 3.03Å; Q92-A94 VanDerWaalsContact O-N 3.09Å; Q92-N95 WeakPolarHBondContact O-CA 3.39Å; Q92-N95 PolarHBondContact O-N 2.92Å; Q92-N95 PolarHBondContact OE1-ND2 2.84Å; Q92-C96 PolarHBondContact O-N 3.32Å
93K89.4Confident93.3Very high192 Ų19251.6 Ų51.684%0.83528%0.275SS*.G310 helixtrans-51.8-37.8-177.8-67.4-174.8178.9-177.60113.6V91 N95 C96V91-K93 PolarHBondContact O-N 3.04Å; K93-N95 PolarHBondContact O-N 3.29Å; K93-C96 PolarHBondContact O-N 3.34Å; K93-C96 PolarHBondContact O-SG 3.1Å
94A94.1Very high93.2Very high94 Ų9451.7 Ų51.778%0.77728%0.278SS*.G310 helixtrans-63.6-23.8177.300000113.5Q92Q92-A94 PolarHBondContact O-N 3.03Å; Q92-A94 VanDerWaalsContact O-N 3.09Å
95N95.9Very high93.1Very high39 Ų3954 Ų5421%0.20930%0.296CS..G310 helixtrans-105.210.4-174.7-57.1-31.9000112.9Q73 F75 Q92 K93 R97 S98 Y99Q73-N95 WeakPolarHBondContact CB-ND2 3.35Å; Q73-N95 PolarHBondContact OE1-ND2 2.63Å; F75-N95 HydrophobicContact CE2-CB 3.99Å; Q92-N95 WeakPolarHBondContact O-CA 3.39Å; Q92-N95 PolarHBondContact O-N 2.92Å; Q92-N95 PolarHBondContact OE1-ND2 2.84Å; K93-N95 PolarHBondContact O-N 3.29Å; N95-R97 VanDerWaalsContact C-N 3.3Å; N95-R97 PolarHBondContact O-N 3.43Å; N95-S98 WeakPolarHBondContact CA-OG 3.25Å; N95-S98 WeakPolarHBondContact CB-OG 3.48Å; N95-S98 PolarHBondContact O-N 3.05Å; N95-S98 PolarHBondContact O-OG 3.14Å; N95-Y99 PolarHBondContact O-N 3.5Å
96C94.3Very high93.1Very high10 Ų1053.9 Ų53.97%0.06830%0.296CS..Hα-helixtrans-50.1-50.7175.2-76.50000111.6Q92 K93 S98 Y99 F100 C128 L129Q92-C96 PolarHBondContact O-N 3.32Å; K93-C96 PolarHBondContact O-N 3.34Å; K93-C96 PolarHBondContact O-SG 3.1Å; C96-S98 PolarHBondContact O-N 2.92Å; C96-Y99 PolarHBondContact O-N 3.24Å; C96-F100 WeakPolarHBondContact O-CD2 3.42Å; C96-F100 PolarHBondContact O-N 2.61Å; C96-C128 VanDerWaalsContact CA-SG 3.59Å; C96-C128 HydrophobicContact CB-CB 3.74Å; C96-C128 WeakPolarHBondContact CB-SG 3.39Å; C96-C128 VanDerWaalsContact SG-CA 3.55Å; C96-C128 WeakPolarHBondContact SG-CB 3.31Å; C96-C128 PolarHBondContact SG-O 3.32Å; C96-C128 CovalentContact SG-SG 2.02Å; C96-C128 PolarHBondContact SG-SG 3.27Å; C96-L129 HydrophobicContact CB-CD2 4.14Å
97R96.3Very high93Very high123 Ų12355.3 Ų55.346%0.46430%0.304SS..Hα-helixtrans-62.3-44.5-177.8-166.6179.2-170.7-76.10.5111.8N95 S101 L129 D139 V143N95-R97 VanDerWaalsContact C-N 3.3Å; N95-R97 PolarHBondContact O-N 3.43Å; R97-S101 WeakPolarHBondContact O-CB 3.44Å; R97-S101 PolarHBondContact O-N 3.24Å; R97-S101 PolarHBondContact O-OG 3.41Å; R97-L129 HydrophobicContact CB-CD2 4.21Å; R97-D139 IonicContact CZ-OD1 2.79Å; R97-D139 IonicContact NE-OD1 2.67Å; R97-D139 IonicContact NH2-OD1 2.72Å; R97-D139 PolarHBondContact NH2-OD1 2.83Å; R97-V143 HydrophobicContact CG-CG1 4.45Å; R97-V143 HydrophobicContact CG-CG2 3.98Å
98S97.1Very high93.3Very high52 Ų5253.2 Ų53.236%0.36429%0.292SS..Hα-helixtrans-65-39.6177.843.40000112.3N95 C96 A102N95-S98 WeakPolarHBondContact CA-OG 3.25Å; N95-S98 WeakPolarHBondContact CB-OG 3.48Å; N95-S98 PolarHBondContact O-N 3.05Å; N95-S98 PolarHBondContact O-OG 3.14Å; C96-S98 PolarHBondContact O-N 2.92Å; S98-A102 WeakPolarHBondContact O-CB 3.49Å; S98-A102 PolarHBondContact O-N 3.02Å
99Y97.3Very high93.5Very high1 Ų154.3 Ų54.30%0.00430%0.299CS..Hα-helixtrans-62.3-54.2176.9174-119.3000111.3F75 L83 L86 V91 N95 C96 S101 A102 L103 K121F75-Y99 AromaticContact CD1-CD2 3.74Å; F75-Y99 HydrophobicContact CD1-CD2 3.74Å; F75-Y99 HydrophobicContact CD2-CD2 4.3Å; F75-Y99 HydrophobicContact CD2-CG 4.5Å; F75-Y99 AromaticContact CE1-CD2 3.84Å; F75-Y99 HydrophobicContact CE1-CD2 3.84Å; F75-Y99 HydrophobicContact CE1-CG 4.49Å; F75-Y99 HydrophobicContact CE2-CD2 4.39Å; F75-Y99 HydrophobicContact CE2-CG 4.38Å; F75-Y99 AromaticContact CG-CD2 3.97Å; F75-Y99 HydrophobicContact CG-CD2 3.97Å; F75-Y99 HydrophobicContact CZ-CD2 4.17Å; F75-Y99 HydrophobicContact CZ-CG 4.37Å; L83-Y99 HydrophobicContact CB-CE2 3.92Å; L83-Y99 HydrophobicContact CD2-CE2 4.36Å; L83-Y99 PolarHBondContact O-OH 2.89Å; L86-Y99 HydrophobicContact CB-CE2 4.32Å; L86-Y99 HydrophobicContact CD2-CD2 4.31Å; L86-Y99 HydrophobicContact CD2-CE2 3.72Å; L86-Y99 HydrophobicContact CG-CE2 4.49Å; V91-Y99 HydrophobicContact CG1-CD1 4.31Å; V91-Y99 HydrophobicContact CG1-CG 4.16Å; V91-Y99 HydrophobicContact CG2-CD1 3.81Å; V91-Y99 HydrophobicContact CG2-CD2 4.1Å; V91-Y99 HydrophobicContact CG2-CE1 4.09Å; V91-Y99 HydrophobicContact CG2-CE2 4.37Å; V91-Y99 HydrophobicContact CG2-CG 3.82Å; N95-Y99 PolarHBondContact O-N 3.5Å; C96-Y99 PolarHBondContact O-N 3.24Å; Y99-S101 VanDerWaalsContact C-N 3.31Å; Y99-S101 PolarHBondContact O-N 3.32Å; Y99-A102 PolarHBondContact O-N 3.17Å; Y99-L103 HydrophobicContact CE1-CD2 4.28Å; Y99-L103 WeakPolarHBondContact O-CB 3.36Å; Y99-L103 PolarHBondContact O-N 3.09Å; Y99-K121 PolarHBondContact OH-NZ 3.07Å
100F97.1Very high93.8Very high1 Ų146.7 Ų46.70%0.00427%0.265CS..Hα-helixtrans-69.4-29.5-177.8-76.1-68.8000113C96 L103 G104 K121 E124 A125 C128 L129 V143 M147C96-F100 WeakPolarHBondContact O-CD2 3.42Å; C96-F100 PolarHBondContact O-N 2.61Å; F100-L103 HydrophobicContact CD1-CD2 3.86Å; F100-L103 HydrophobicContact CE1-CD2 3.85Å; F100-L103 PolarHBondContact O-N 3.11Å; F100-G104 PolarHBondContact O-N 3.17Å; F100-K121 WeakPolarHBondContact CE1-O 3.34Å; F100-E124 HydrophobicContact CZ-CB 3.93Å; F100-A125 HydrophobicContact CD1-CB 3.5Å; F100-A125 HydrophobicContact CD2-CB 4.15Å; F100-A125 HydrophobicContact CE1-CB 3.42Å; F100-A125 VanDerWaalsContact CE1-CB 3.42Å; F100-A125 VanDerWaalsContact CE2-CA 3.47Å; F100-A125 HydrophobicContact CE2-CB 4.08Å; F100-A125 HydrophobicContact CG-CB 3.9Å; F100-A125 HydrophobicContact CZ-CB 3.73Å; F100-C128 HydrophobicContact CD2-CB 4.18Å; F100-C128 HydrophobicContact CE2-CB 3.58Å; F100-L129 HydrophobicContact CB-CD1 4.15Å; F100-L129 HydrophobicContact CD2-CD1 4.35Å; F100-L129 HydrophobicContact CD2-CD2 4.49Å; F100-L129 HydrophobicContact CD2-CG 4.24Å; F100-L129 HydrophobicContact CG-CD1 4.36Å; F100-V143 CarbonylContact C-O 3.55Å; F100-V143 HydrophobicContact CB-CG1 3.87Å; F100-V143 VanDerWaalsContact O-O 3.07Å; F100-M147 HydrophobicContact CD1-CE 3.85Å; F100-M147 HydrophobicContact CE1-CE 4.08Å
101S96.9Very high94Very high47 Ų4744 Ų4433%0.32925%0.252SS..Hα-helixtrans-64.7-42171.3-59.80000112R97 Y99 G104 V143R97-S101 WeakPolarHBondContact O-CB 3.44Å; R97-S101 PolarHBondContact O-N 3.24Å; R97-S101 PolarHBondContact O-OG 3.41Å; Y99-S101 VanDerWaalsContact C-N 3.31Å; Y99-S101 PolarHBondContact O-N 3.32Å; S101-G104 PolarHBondContact O-N 2.85Å; S101-V143 WeakPolarHBondContact CA-O 3.39Å
102A96.6Very high93.8Very high15 Ų1543.5 Ų43.512%0.12425%0.249CC..Hα-helixtrans-70.3-42.9176.200000111.6F75 T76 S80 L83 S98 Y99 G104 A105F75-A102 HydrophobicContact CB-CB 3.74Å; T76-A102 HydrophobicContact CG2-CB 4.48Å; S80-A102 WeakPolarHBondContact CB-O 3.16Å; L83-A102 HydrophobicContact CD1-CB 3.63Å; S98-A102 WeakPolarHBondContact O-CB 3.49Å; S98-A102 PolarHBondContact O-N 3.02Å; Y99-A102 PolarHBondContact O-N 3.17Å; A102-G104 PolarHBondContact O-N 2.81Å; A102-A105 PolarHBondContact O-N 3.47Å
103L96.2Very high93.4Very high0 Ų042.7 Ų42.70%026%0.256CS..Hα-helixtrans-62.5-31.3174.9-17568.6000111.6L83 L84 Y99 F100 A105 T106 F108 K121 M147L83-L103 HydrophobicContact CB-CD1 3.71Å; L84-L103 HydrophobicContact CD2-CD1 3.94Å; L84-L103 HydrophobicContact CG-CD1 4.15Å; Y99-L103 HydrophobicContact CE1-CD2 4.28Å; Y99-L103 WeakPolarHBondContact O-CB 3.36Å; Y99-L103 PolarHBondContact O-N 3.09Å; F100-L103 HydrophobicContact CD1-CD2 3.86Å; F100-L103 HydrophobicContact CE1-CD2 3.85Å; F100-L103 PolarHBondContact O-N 3.11Å; L103-A105 PolarHBondContact O-N 3.17Å; L103-T106 WeakPolarHBondContact O-CB 3.34Å; L103-T106 PolarHBondContact O-N 2.79Å; L103-T106 PolarHBondContact O-OG1 3.05Å; L103-F108 HydrophobicContact CD2-CZ 4.49Å; L103-F108 HydrophobicContact CG-CZ 4.1Å; L103-K121 HydrophobicContact CD2-CB 4.14Å; L103-K121 HydrophobicContact CD2-CD 3.82Å; L103-K121 HydrophobicContact CD2-CG 4.2Å; L103-M147 HydrophobicContact CD2-CE 3.55Å; L103-M147 HydrophobicContact CG-CE 4.23Å
104G95.3Very high93.2Very high6 Ų636.8 Ų36.86%0.06223%0.233CC..THydrogen-bonded Turntrans-61.1-12.6175.800000114.5F100 S101 A102 T106 L144 N146F100-G104 PolarHBondContact O-N 3.17Å; S101-G104 PolarHBondContact O-N 2.85Å; A102-G104 PolarHBondContact O-N 2.81Å; G104-T106 VanDerWaalsContact C-N 3.33Å; G104-L144 VanDerWaalsContact CA-O 3.27Å; G104-L144 WeakPolarHBondContact CA-O 3.46Å; G104-N146 VanDerWaalsContact O-CB 3.23Å; G104-N146 WeakPolarHBondContact O-CB 3.22Å; G104-N146 PolarHBondContact O-N 3.2Å
105A93.4Very high93.1Very high48 Ų4832.6 Ų32.640%0.39720%0.198SC..THydrogen-bonded Turntrans-89.22.7172.300000113.8S80 A102 L103S80-A105 PolarHBondContact OG-O 3.3Å; A102-A105 PolarHBondContact O-N 3.47Å; L103-A105 PolarHBondContact O-N 3.17Å
106T93.8Very high92.8Very high1 Ų134.4 Ų34.41%0.00621%0.208CC..SBendtrans-74.5150.6-174.9-630000112.7S80 D81 L84 L103 G104 F108 N146S80-T106 PolarHBondContact O-OG1 2.94Å; D81-T106 HydrophobicContact CB-CG2 4.5Å; D81-T106 WeakPolarHBondContact OD1-CA 3.28Å; D81-T106 WeakPolarHBondContact OD1-CG2 3.3Å; L84-T106 HydrophobicContact CD1-CG2 3.44Å; L84-T106 VanDerWaalsContact CD1-CG2 3.44Å; L84-T106 HydrophobicContact CD2-CG2 3.85Å; L84-T106 HydrophobicContact CG-CG2 3.58Å; L103-T106 WeakPolarHBondContact O-CB 3.34Å; L103-T106 PolarHBondContact O-N 2.79Å; L103-T106 PolarHBondContact O-OG1 3.05Å; G104-T106 VanDerWaalsContact C-N 3.33Å; T106-F108 HydrophobicContact CG2-CD2 4.16Å; T106-F108 HydrophobicContact CG2-CE2 4.23Å; T106-F108 HydrophobicContact CG2-CG 4.38Å; T106-N146 VanDerWaalsContact O-CB 3.3Å; T106-N146 WeakPolarHBondContact O-CB 3.32Å; T106-N146 PolarHBondContact O-ND2 3.04Å
107D91.8Very high92.7Very high34 Ų3435.1 Ų35.118%0.18221%0.209CC..  trans-89101.1159.5-179.52.9000109.8D81 S109 V110 K171D81-D107 PolarHBondContact OD1-N 2.75Å; D107-S109 VanDerWaalsContact CG-OG 3.25Å; D107-S109 PolarHBondContact O-N 3.34Å; D107-S109 VanDerWaalsContact O-N 3.14Å; D107-S109 WeakPolarHBondContact OD1-CB 3.31Å; D107-S109 PolarHBondContact OD1-N 2.87Å; D107-S109 PolarHBondContact OD1-OG 3.44Å; D107-S109 PolarHBondContact OD2-OG 3.43Å; D107-V110 WeakPolarHBondContact O-CG1 3.42Å; D107-V110 PolarHBondContact O-N 3.24Å; D107-K171 VanDerWaalsContact OD2-CE 3.24Å; D107-K171 WeakPolarHBondContact OD2-CE 3.32Å; D107-K171 IonicContact OD2-NZ 2.71Å; D107-K171 PolarHBondContact OD2-NZ 3.17Å
108F91.6Very high92.5Very high24 Ų2429.6 Ų29.611%0.10519%0.191CC..THydrogen-bonded Turntrans-69.2-8.9-177.6-73.7-95.7000113.8L84 L103 T106 V110 K121 N146 M147 T150L84-F108 HydrophobicContact CD2-CD1 3.62Å; L84-F108 HydrophobicContact CD2-CE1 3.54Å; L84-F108 HydrophobicContact CD2-CG 4.49Å; L84-F108 HydrophobicContact CD2-CZ 4.34Å; L103-F108 HydrophobicContact CD2-CZ 4.49Å; L103-F108 HydrophobicContact CG-CZ 4.1Å; T106-F108 HydrophobicContact CG2-CD2 4.16Å; T106-F108 HydrophobicContact CG2-CE2 4.23Å; T106-F108 HydrophobicContact CG2-CG 4.38Å; F108-V110 VanDerWaalsContact C-N 3.32Å; F108-K121 HydrophobicContact CE1-CB 4.47Å; F108-N146 HydrophobicContact CD2-CB 4.48Å; F108-N146 HydrophobicContact CE2-CB 4.44Å; F108-M147 HydrophobicContact CE1-CB 4.38Å; F108-M147 HydrophobicContact CE1-CE 4.01Å; F108-M147 HydrophobicContact CE1-CG 4.05Å; F108-M147 VanDerWaalsContact CE2-CA 3.43Å; F108-M147 HydrophobicContact CE2-CB 3.78Å; F108-M147 HydrophobicContact CE2-CG 4.33Å; F108-M147 HydrophobicContact CZ-CB 3.61Å; F108-M147 HydrophobicContact CZ-CE 3.68Å; F108-M147 HydrophobicContact CZ-CG 3.77Å; F108-T150 HydrophobicContact CB-CG2 3.44Å; F108-T150 VanDerWaalsContact CB-CG2 3.44Å; F108-T150 HydrophobicContact CD1-CG2 3.8Å; F108-T150 HydrophobicContact CD2-CG2 4.37Å; F108-T150 HydrophobicContact CG-CG2 3.61Å
109S88.7Confident92.3Very high73 Ų7329.7 Ų29.751%0.5119%0.19SC..THydrogen-bonded Turntrans-80.7-10.2174.571.70000113.9D107 A111D107-S109 VanDerWaalsContact CG-OG 3.25Å; D107-S109 PolarHBondContact O-N 3.34Å; D107-S109 VanDerWaalsContact O-N 3.14Å; D107-S109 WeakPolarHBondContact OD1-CB 3.31Å; D107-S109 PolarHBondContact OD1-N 2.87Å; D107-S109 PolarHBondContact OD1-OG 3.44Å; D107-S109 PolarHBondContact OD2-OG 3.43Å; S109-A111 VanDerWaalsContact C-N 3.34Å
110V90.9Very high92.2Very high20 Ų2033.3 Ų33.312%0.12121%0.206CC..SBendtrans-69.5-33180750000112.8L55 L60 D81 L84 D107 F108L55-V110 WeakPolarHBondContact O-CG2 3.44Å; L60-V110 HydrophobicContact CD1-CB 4.47Å; L60-V110 HydrophobicContact CD1-CG1 3.8Å; L60-V110 HydrophobicContact CD1-CG2 3.77Å; D81-V110 HydrophobicContact CB-CG1 4.21Å; L84-V110 HydrophobicContact CD1-CG1 3.65Å; D107-V110 WeakPolarHBondContact O-CG1 3.42Å; D107-V110 PolarHBondContact O-N 3.24Å; F108-V110 VanDerWaalsContact C-N 3.32Å
111A91.3Very high92.1Very high12 Ų1233.4 Ų33.410%0.09921%0.206CC..SBendtrans-81140.3-179.600000110.5E57 L84 S109 K117E57-A111 VanDerWaalsContact OE1-CA 3.25Å; E57-A111 WeakPolarHBondContact OE1-CA 2.95Å; L84-A111 HydrophobicContact CD1-CB 4.22Å; S109-A111 VanDerWaalsContact C-N 3.34Å; A111-K117 HydrophobicContact CB-CB 4.01Å; A111-K117 HydrophobicContact CB-CG 3.81Å
112S88.4Confident92Very high3 Ų331.8 Ų31.82%0.02119%0.193CC..  trans-63.2145.1177.452.90000112.1E57 I114 L115 F535E57-S112 PolarHBondContact OE1-N 2.97Å; E57-S112 PolarHBondContact OE1-OG 3.42Å; E57-S112 WeakPolarHBondContact OE2-CB 3.19Å; E57-S112 PolarHBondContact OE2-N 3.36Å; E57-S112 PolarHBondContact OE2-OG 3.35Å; S112-I114 PolarHBondContact O-N 2.63Å; S112-I114 VanDerWaalsContact OG-CG2 3.31Å; S112-I114 WeakPolarHBondContact OG-CG2 3.19Å; S112-L115 PolarHBondContact O-N 3.44Å; S112-L115 VanDerWaalsContact O-N 3.09Å; S112-F535 WeakPolarHBondContact OG-CE1 3.47Å
113S85.4Confident91.9Very high101 Ų10138.2 Ų38.271%0.70622%0.215SC*.G310 helixtrans-59-30.9-178.856.60000112.4L115 N116S113-L115 VanDerWaalsContact C-N 3.26Å; S113-L115 PolarHBondContact O-N 3.13Å; S113-N116 WeakPolarHBondContact O-CA 3.45Å; S113-N116 PolarHBondContact O-N 2.87Å
114I86Confident91.9Very high68 Ų6840.4 Ų40.435%0.34923%0.225SC..G310 helixtrans-59.5-34.2177.3-167.1169.9000113.1S112 N116 F535 D538S112-I114 PolarHBondContact O-N 2.63Å; S112-I114 VanDerWaalsContact OG-CG2 3.31Å; S112-I114 WeakPolarHBondContact OG-CG2 3.19Å; I114-N116 VanDerWaalsContact C-N 3.28Å; I114-N116 PolarHBondContact O-N 3.42Å; I114-F535 HydrophobicContact CG2-CD1 3.76Å; I114-F535 HydrophobicContact CG2-CE1 3.56Å; I114-D538 HydrophobicContact CD1-CB 3.5Å; I114-D538 VanDerWaalsContact CD1-CB 3.5Å; I114-D538 WeakPolarHBondContact CD1-OD2 3.49Å
115L90.2Very high91.9Very high7 Ų740.1 Ų40.14%0.03722%0.222CC..G310 helixtrans-76.4-20.9177.4-62.7-173.2000112.2E57 Y85 S112 S113 K117 K120 L534 F535E57-L115 WeakPolarHBondContact OE1-CD1 3.28Å; Y85-L115 HydrophobicContact CE1-CD1 3.8Å; S112-L115 PolarHBondContact O-N 3.44Å; S112-L115 VanDerWaalsContact O-N 3.09Å; S113-L115 VanDerWaalsContact C-N 3.26Å; S113-L115 PolarHBondContact O-N 3.13Å; L115-K117 VanDerWaalsContact C-N 3.25Å; L115-K117 HydrophobicContact CB-CD 4.32Å; L115-K117 HydrophobicContact CB-CG 3.82Å; L115-K117 HydrophobicContact CD1-CG 4.42Å; L115-K117 PolarHBondContact O-N 3.19Å; L115-K120 WeakPolarHBondContact O-CD 2.95Å; L115-K120 WeakPolarHBondContact O-CE 3.18Å; L115-K120 PolarHBondContact O-NZ 3.13Å; L115-L534 HydrophobicContact CD1-CD1 4.35Å; L115-L534 HydrophobicContact CD1-CD2 4.04Å; L115-L534 HydrophobicContact CD1-CG 4.12Å; L115-L534 HydrophobicContact CD2-CD1 4.11Å; L115-L534 HydrophobicContact CD2-CG 3.89Å; L115-L534 WeakPolarHBondContact CD2-O 3.34Å; L115-F535 HydrophobicContact CD1-CE1 4.05Å; L115-F535 HydrophobicContact CD1-CE2 4.11Å; L115-F535 HydrophobicContact CD1-CZ 3.63Å; L115-F535 HydrophobicContact CD2-CD1 3.71Å; L115-F535 HydrophobicContact CD2-CD2 4.28Å; L115-F535 HydrophobicContact CD2-CE1 3.62Å; L115-F535 HydrophobicContact CD2-CE2 4.19Å; L115-F535 HydrophobicContact CD2-CG 4.08Å; L115-F535 HydrophobicContact CD2-CZ 3.89Å; L115-F535 HydrophobicContact CG-CD1 4.29Å; L115-F535 HydrophobicContact CG-CE1 3.69Å; L115-F535 HydrophobicContact CG-CE2 4.49Å; L115-F535 HydrophobicContact CG-CZ 3.83Å
116N90.7Very high91.9Very high76 Ų7640.3 Ų40.341%0.40621%0.212SC..THydrogen-bonded Turntrans5044.9-179.1-167.421.7000112.3S113 I114 P119 K120S113-N116 WeakPolarHBondContact O-CA 3.45Å; S113-N116 PolarHBondContact O-N 2.87Å; I114-N116 VanDerWaalsContact C-N 3.28Å; I114-N116 PolarHBondContact O-N 3.42Å; N116-P119 VanDerWaalsContact OD1-CD 3.23Å; N116-P119 WeakPolarHBondContact OD1-CD 3.27Å; N116-P119 WeakPolarHBondContact OD1-CG 3.32Å; N116-K120 WeakPolarHBondContact O-CB 3.38Å; N116-K120 VanDerWaalsContact O-CG 3.31Å; N116-K120 WeakPolarHBondContact O-CG 3.29Å; N116-K120 PolarHBondContact O-N 2.93Å
117K92.1Very high91.9Very high25 Ų2546.8 Ų46.811%0.10925%0.247CC..Hα-helixtrans-64.4-41.9-169.8-74.4-66-168.3166.30113.4L84 A111 L115 K120 K121L84-K117 HydrophobicContact CD2-CB 4.4Å; L84-K117 WeakPolarHBondContact O-CD 3.27Å; L84-K117 WeakPolarHBondContact O-CE 3.37Å; L84-K117 PolarHBondContact O-NZ 3.25Å; A111-K117 HydrophobicContact CB-CB 4.01Å; A111-K117 HydrophobicContact CB-CG 3.81Å; L115-K117 VanDerWaalsContact C-N 3.25Å; L115-K117 HydrophobicContact CB-CD 4.32Å; L115-K117 HydrophobicContact CB-CG 3.82Å; L115-K117 HydrophobicContact CD1-CG 4.42Å; L115-K117 PolarHBondContact O-N 3.19Å; K117-K120 PolarHBondContact O-N 2.03Å; K117-K121 VanDerWaalsContact O-CB 3.31Å; K117-K121 WeakPolarHBondContact O-CB 3.35Å; K117-K121 VanDerWaalsContact O-CG 3.24Å; K117-K121 WeakPolarHBondContact O-CG 3.37Å; K117-K121 PolarHBondContact O-N 2.87Å
118G92.9Very high92Very high7 Ų747.2 Ų47.27%0.07225%0.252CS..Hα-helixtrans-54.9-63.5-178.900000113.2K120 K121 F122G118-K120 VanDerWaalsContact C-N 3.31Å; G118-K120 PolarHBondContact O-N 2.8Å; G118-K121 PolarHBondContact O-N 3.41Å; G118-K121 VanDerWaalsContact O-N 3.17Å; G118-F122 PolarHBondContact O-N 3.15Å
119P92.4Very high92.1Very high54 Ų5448.2 Ų48.235%0.35126%0.258SS..Hα-helixtrans-59.5-34.5177.6-29.438.5000114.6N116 R123N116-P119 VanDerWaalsContact OD1-CD 3.23Å; N116-P119 WeakPolarHBondContact OD1-CD 3.27Å; N116-P119 WeakPolarHBondContact OD1-CG 3.32Å; P119-R123 PolarHBondContact O-N 3.3Å
120K94.1Very high92.3Very high78 Ų7847.7 Ų47.734%0.33927%0.265SS..Hα-helixtrans-63.2-50.4173.3-74.5175.9-178.6171.20111.2L115 N116 K117 G118 F122 R123 E124L115-K120 WeakPolarHBondContact O-CD 2.95Å; L115-K120 WeakPolarHBondContact O-CE 3.18Å; L115-K120 PolarHBondContact O-NZ 3.13Å; N116-K120 WeakPolarHBondContact O-CB 3.38Å; N116-K120 VanDerWaalsContact O-CG 3.31Å; N116-K120 WeakPolarHBondContact O-CG 3.29Å; N116-K120 PolarHBondContact O-N 2.93Å; K117-K120 PolarHBondContact O-N 2.03Å; G118-K120 VanDerWaalsContact C-N 3.31Å; G118-K120 PolarHBondContact O-N 2.8Å; K120-F122 VanDerWaalsContact C-N 3.3Å; K120-F122 PolarHBondContact O-N 3.14Å; K120-R123 PolarHBondContact O-N 3.29Å; K120-E124 WeakPolarHBondContact O-CG 3.19Å; K120-E124 PolarHBondContact O-N 3.45Å; K120-E124 VanDerWaalsContact O-N 3.07Å
121K95.8Very high92.4Very high2 Ų247.4 Ų47.41%0.00926%0.262CS..Hα-helixtrans-64.9-33179.8-71.7-73161.4-161.70112.8L84 L86 Y99 F100 L103 F108 K117 G118 E124 A125 M147L84-K121 HydrophobicContact CD2-CG 4.41Å; L84-K121 WeakPolarHBondContact O-CE 3.42Å; L86-K121 PolarHBondContact O-NZ 3.15Å; Y99-K121 PolarHBondContact OH-NZ 3.07Å; F100-K121 WeakPolarHBondContact CE1-O 3.34Å; L103-K121 HydrophobicContact CD2-CB 4.14Å; L103-K121 HydrophobicContact CD2-CD 3.82Å; L103-K121 HydrophobicContact CD2-CG 4.2Å; F108-K121 HydrophobicContact CE1-CB 4.47Å; K117-K121 VanDerWaalsContact O-CB 3.31Å; K117-K121 WeakPolarHBondContact O-CB 3.35Å; K117-K121 VanDerWaalsContact O-CG 3.24Å; K117-K121 WeakPolarHBondContact O-CG 3.37Å; K117-K121 PolarHBondContact O-N 2.87Å; G118-K121 PolarHBondContact O-N 3.41Å; G118-K121 VanDerWaalsContact O-N 3.17Å; K121-E124 WeakPolarHBondContact CD-OE2 3.48Å; K121-E124 WeakPolarHBondContact CE-OE2 3.24Å; K121-E124 IonicContact NZ-OE1 3.72Å; K121-E124 IonicContact NZ-OE2 3.94Å; K121-E124 PolarHBondContact NZ-OE2 2.99Å; K121-E124 PolarHBondContact O-N 3.24Å; K121-A125 WeakPolarHBondContact O-CB 3.02Å; K121-A125 PolarHBondContact O-N 3.4Å; K121-M147 HydrophobicContact CB-CE 3.95Å
122F95.3Very high92.2Very high13 Ų1352 Ų526%0.05729%0.293CS..Hα-helixtrans-66.9-41.6174-179.3-122.3000112.4G118 K120 A125 R126 L136 L144 M147 L151 D155G118-F122 PolarHBondContact O-N 3.15Å; K120-F122 VanDerWaalsContact C-N 3.3Å; K120-F122 PolarHBondContact O-N 3.14Å; F122-A125 WeakPolarHBondContact O-CB 3.37Å; F122-A125 PolarHBondContact O-N 3.07Å; F122-R126 HydrophobicContact CD2-CG 4.42Å; F122-R126 HydrophobicContact CE1-CG 4.36Å; F122-R126 HydrophobicContact CE2-CG 4.05Å; F122-R126 HydrophobicContact CZ-CG 4.03Å; F122-R126 WeakPolarHBondContact O-CG 3.47Å; F122-R126 PolarHBondContact O-N 3.27Å; F122-L136 HydrophobicContact CE2-CD1 4.34Å; F122-L136 HydrophobicContact CE2-CD2 4.12Å; F122-L136 HydrophobicContact CZ-CD1 4.46Å; F122-L136 HydrophobicContact CZ-CD2 4.16Å; F122-L144 HydrophobicContact CD2-CD1 4.32Å; F122-L144 HydrophobicContact CD2-CD2 4.39Å; F122-L144 HydrophobicContact CE2-CD1 3.86Å; F122-M147 VanDerWaalsContact CA-SD 3.55Å; F122-M147 HydrophobicContact CB-CG 4.48Å; F122-M147 HydrophobicContact CB-SD 3.82Å; F122-M147 HydrophobicContact CD2-SD 3.96Å; F122-M147 HydrophobicContact CG-SD 4.38Å; F122-L151 HydrophobicContact CB-CD2 4.4Å; F122-L151 HydrophobicContact CD1-CD2 3.62Å; F122-L151 HydrophobicContact CD2-CD2 3.45Å; F122-L151 VanDerWaalsContact CD2-CD2 3.45Å; F122-L151 HydrophobicContact CE1-CD2 3.58Å; F122-L151 HydrophobicContact CE2-CD2 3.42Å; F122-L151 VanDerWaalsContact CE2-CD2 3.42Å; F122-L151 HydrophobicContact CG-CD2 3.54Å; F122-L151 HydrophobicContact CZ-CD2 3.47Å; F122-L151 VanDerWaalsContact CZ-CD2 3.47Å; F122-D155 HydrophobicContact CE1-CB 4.5Å; F122-D155 WeakPolarHBondContact CE1-OD2 3.4Å; F122-D155 HydrophobicContact CZ-CB 4.45Å
123R94.1Very high92Very high151 Ų15154 Ų5457%0.5732%0.316SS*.Hα-helixtrans-60.6-46.5173.3-73-175.4-67.7174.61.3111.8P119 K120 A125 R126 D127P119-R123 PolarHBondContact O-N 3.3Å; K120-R123 PolarHBondContact O-N 3.29Å; R123-A125 VanDerWaalsContact C-N 3.27Å; R123-A125 PolarHBondContact O-N 3.39Å; R123-R126 WeakPolarHBondContact O-CB 3.35Å; R123-R126 PolarHBondContact O-N 2.92Å; R123-R126 VanDerWaalsContact O-N 3.13Å; R123-D127 PolarHBondContact O-N 3.09Å; R123-D127 VanDerWaalsContact O-N 3.1Å
124E95.1Very high91.8Very high45 Ų4552.7 Ų52.721%0.2130%0.303CS..Hα-helixtrans-57.9-40.7174.1-66.6165.3-15000111.6F100 K120 K121 R126 D127 C128F100-E124 HydrophobicContact CZ-CB 3.93Å; K120-E124 WeakPolarHBondContact O-CG 3.19Å; K120-E124 PolarHBondContact O-N 3.45Å; K120-E124 VanDerWaalsContact O-N 3.07Å; K121-E124 WeakPolarHBondContact CD-OE2 3.48Å; K121-E124 WeakPolarHBondContact CE-OE2 3.24Å; K121-E124 IonicContact NZ-OE1 3.72Å; K121-E124 IonicContact NZ-OE2 3.94Å; K121-E124 PolarHBondContact NZ-OE2 2.99Å; K121-E124 PolarHBondContact O-N 3.24Å; E124-R126 VanDerWaalsContact C-N 3.33Å; E124-R126 PolarHBondContact O-N 3.27Å; E124-D127 PolarHBondContact O-N 2.7Å; E124-C128 VanDerWaalsContact O-CB 3.26Å; E124-C128 WeakPolarHBondContact O-CB 3.13Å; E124-C128 PolarHBondContact O-N 3.01Å
125A95.2Very high91.9Very high0 Ų052.6 Ų52.60%031%0.308CS..Hα-helixtrans-61.7-42.317700000111.9F100 K121 F122 R123 C128 L129 L144 M147F100-A125 HydrophobicContact CD1-CB 3.5Å; F100-A125 HydrophobicContact CD2-CB 4.15Å; F100-A125 HydrophobicContact CE1-CB 3.42Å; F100-A125 VanDerWaalsContact CE1-CB 3.42Å; F100-A125 VanDerWaalsContact CE2-CA 3.47Å; F100-A125 HydrophobicContact CE2-CB 4.08Å; F100-A125 HydrophobicContact CG-CB 3.9Å; F100-A125 HydrophobicContact CZ-CB 3.73Å; K121-A125 WeakPolarHBondContact O-CB 3.02Å; K121-A125 PolarHBondContact O-N 3.4Å; F122-A125 WeakPolarHBondContact O-CB 3.37Å; F122-A125 PolarHBondContact O-N 3.07Å; R123-A125 VanDerWaalsContact C-N 3.27Å; R123-A125 PolarHBondContact O-N 3.39Å; A125-C128 PolarHBondContact O-N 3.44Å; A125-L129 HydrophobicContact CB-CD1 4.38Å; A125-L129 WeakPolarHBondContact O-CB 3.44Å; A125-L129 VanDerWaalsContact O-CG 3.25Å; A125-L129 WeakPolarHBondContact O-CG 3.42Å; A125-L129 PolarHBondContact O-N 3.48Å; A125-L144 HydrophobicContact CB-CD2 3.68Å; A125-M147 HydrophobicContact CB-SD 4.29Å
126R94.3Very high92.1Very high52 Ų5252.3 Ų52.320%0.19631%0.307CS..Hα-helixtrans-63.1-44.3179.1-67.7172.668.7129.56.3111.6F122 R123 E124 G130 I131 G133 D155F122-R126 HydrophobicContact CD2-CG 4.42Å; F122-R126 HydrophobicContact CE1-CG 4.36Å; F122-R126 HydrophobicContact CE2-CG 4.05Å; F122-R126 HydrophobicContact CZ-CG 4.03Å; F122-R126 WeakPolarHBondContact O-CG 3.47Å; F122-R126 PolarHBondContact O-N 3.27Å; R123-R126 WeakPolarHBondContact O-CB 3.35Å; R123-R126 PolarHBondContact O-N 2.92Å; R123-R126 VanDerWaalsContact O-N 3.13Å; E124-R126 VanDerWaalsContact C-N 3.33Å; E124-R126 PolarHBondContact O-N 3.27Å; R126-G130 CarbonylContact O-C 3.59Å; R126-G130 WeakPolarHBondContact O-CA 3.24Å; R126-G130 PolarHBondContact O-N 3.44Å; R126-I131 HydrophobicContact CB-CB 4.14Å; R126-I131 HydrophobicContact CG-CB 4.09Å; R126-I131 HydrophobicContact CG-CG2 4.35Å; R126-I131 PolarHBondContact O-N 2.76Å; R126-G133 PolarHBondContact NH2-O 2.88Å; R126-D155 IonicContact NH1-OD1 3.23Å; R126-D155 PolarHBondContact NH1-OD1 3.03Å; R126-D155 VanDerWaalsContact NH1-OD1 3.13Å
127D93.4Very high92.4Very high137 Ų13751.3 Ų51.373%0.73331%0.306SS*.Hα-helixtrans-66.8-44.3178.7-63.7-22.3000111.4R123 E124R123-D127 PolarHBondContact O-N 3.09Å; R123-D127 VanDerWaalsContact O-N 3.1Å; E124-D127 PolarHBondContact O-N 2.7Å
128C93.7Very high92.6Very high44 Ų4456.3 Ų56.330%0.29732%0.324SS..Hα-helixtrans-70.7-38.3-177-142.10000112.6C96 F100 E124 A125C96-C128 VanDerWaalsContact CA-SG 3.59Å; C96-C128 HydrophobicContact CB-CB 3.74Å; C96-C128 WeakPolarHBondContact CB-SG 3.39Å; C96-C128 VanDerWaalsContact SG-CA 3.55Å; C96-C128 WeakPolarHBondContact SG-CB 3.31Å; C96-C128 PolarHBondContact SG-O 3.32Å; C96-C128 CovalentContact SG-SG 2.02Å; C96-C128 PolarHBondContact SG-SG 3.27Å; F100-C128 HydrophobicContact CD2-CB 4.18Å; F100-C128 HydrophobicContact CE2-CB 3.58Å; E124-C128 VanDerWaalsContact O-CB 3.26Å; E124-C128 WeakPolarHBondContact O-CB 3.13Å; E124-C128 PolarHBondContact O-N 3.01Å; A125-C128 PolarHBondContact O-N 3.44Å
129L93.3Very high92.7Very high44 Ų4459.5 Ų59.523%0.2334%0.34CS..Hα-helixtrans-93.2-3.2-176.8-58.4172.6000112.9C96 R97 F100 A125 I131 V143C96-L129 HydrophobicContact CB-CD2 4.14Å; R97-L129 HydrophobicContact CB-CD2 4.21Å; F100-L129 HydrophobicContact CB-CD1 4.15Å; F100-L129 HydrophobicContact CD2-CD1 4.35Å; F100-L129 HydrophobicContact CD2-CD2 4.49Å; F100-L129 HydrophobicContact CD2-CG 4.24Å; F100-L129 HydrophobicContact CG-CD1 4.36Å; A125-L129 HydrophobicContact CB-CD1 4.38Å; A125-L129 WeakPolarHBondContact O-CB 3.44Å; A125-L129 VanDerWaalsContact O-CG 3.25Å; A125-L129 WeakPolarHBondContact O-CG 3.42Å; A125-L129 PolarHBondContact O-N 3.48Å; L129-I131 HydrophobicContact CB-CD1 4.01Å; L129-I131 HydrophobicContact CB-CG1 3.87Å; L129-I131 HydrophobicContact CD1-CD1 4.07Å; L129-V143 HydrophobicContact CD1-CG1 3.8Å; L129-V143 HydrophobicContact CD2-CG1 4.42Å
130G93Very high92.9Very high63 Ų6358.1 Ų58.165%0.64933%0.329SS*.THydrogen-bonded Turntrans70.434.5-179.500000113.8R126 S132R126-G130 CarbonylContact O-C 3.59Å; R126-G130 WeakPolarHBondContact O-CA 3.24Å; R126-G130 PolarHBondContact O-N 3.44Å; G130-S132 PolarHBondContact O-N 3.5Å
131I93.1Very high93Very high13 Ų1354.4 Ų54.47%0.06731%0.313CS..  trans-84.7101.9-177.9-52.8175.7000109.9R126 L129 L136 N140R126-I131 HydrophobicContact CB-CB 4.14Å; R126-I131 HydrophobicContact CG-CB 4.09Å; R126-I131 HydrophobicContact CG-CG2 4.35Å; R126-I131 PolarHBondContact O-N 2.76Å; L129-I131 HydrophobicContact CB-CD1 4.01Å; L129-I131 HydrophobicContact CB-CG1 3.87Å; L129-I131 HydrophobicContact CD1-CD1 4.07Å; I131-L136 HydrophobicContact CD1-CD2 4.21Å; I131-L136 HydrophobicContact CG2-CD2 3.75Å; I131-N140 HydrophobicContact CD1-CB 4.06Å
132S86.8Confident93.1Very high108 Ų10858.5 Ų58.576%0.75533%0.332SS*.  trans-92.5142.3173.659.90000112.4G130G130-S132 PolarHBondContact O-N 3.5Å
133G84.8Confident93.2Very high47 Ų4758.1 Ų58.149%0.48533%0.331SS..SBendtrans77.4176.7175.600000114.5R126 S135R126-G133 PolarHBondContact NH2-O 2.88Å; G133-S135 VanDerWaalsContact C-N 3.33Å; G133-S135 PolarHBondContact O-N 3.16Å
134V80.8Confident93.3Very high72 Ų7251 Ų5144%0.43630%0.304SS..SBendtrans-87.95.2-172.3-64.10000114.3N158V134-N158 HydrophobicContact CG2-CB 4.17Å
135S88.6Confident93.3Very high66 Ų6649.2 Ų49.246%0.46230%0.298SS..  trans-106.2125.7-178.2-177.20000110.6G133 N158G133-S135 VanDerWaalsContact C-N 3.33Å; G133-S135 PolarHBondContact O-N 3.16Å; S135-N158 WeakPolarHBondContact CB-O 3.32Å; S135-N158 PolarHBondContact OG-O 3.2Å
136L95.4Very high93.3Very high1 Ų151.5 Ų51.51%0.00531%0.31CS..  trans-92.5126.1171.2-53.3171.5000109.6F122 I131 N140 V141 L144 L151 S159 D160F122-L136 HydrophobicContact CE2-CD1 4.34Å; F122-L136 HydrophobicContact CE2-CD2 4.12Å; F122-L136 HydrophobicContact CZ-CD1 4.46Å; F122-L136 HydrophobicContact CZ-CD2 4.16Å; I131-L136 HydrophobicContact CD1-CD2 4.21Å; I131-L136 HydrophobicContact CG2-CD2 3.75Å; L136-N140 HydrophobicContact CB-CB 4.06Å; L136-N140 HydrophobicContact CD2-CB 4.29Å; L136-V141 HydrophobicContact CB-CG2 3.8Å; L136-V141 HydrophobicContact CD1-CG2 4.49Å; L136-L144 HydrophobicContact CD1-CD1 3.75Å; L136-L144 HydrophobicContact CD2-CD1 4Å; L136-L144 HydrophobicContact CG-CD1 4.46Å; L136-L151 HydrophobicContact CD1-CD1 3.57Å; L136-S159 WeakPolarHBondContact CB-OG 3.35Å; L136-S159 VanDerWaalsContact CG-OG 3.24Å; L136-S159 WeakPolarHBondContact CG-OG 3.25Å; L136-S159 PolarHBondContact N-OG 3.1Å; L136-D160 PolarHBondContact O-N 3.27Å
137S96Very high93.4Very high56 Ų5649 Ų4939%0.39230%0.301SS..  trans-64.7165.1169.774.20000110.8D139 N140 V141S137-D139 VanDerWaalsContact C-N 3.3Å; S137-D139 PolarHBondContact O-N 3.36Å; S137-N140 WeakPolarHBondContact O-CB 3.43Å; S137-N140 PolarHBondContact O-N 2.98Å; S137-N140 VanDerWaalsContact O-N 3.15Å; S137-N140 VanDerWaalsContact OG-CG 3.23Å; S137-N140 PolarHBondContact OG-N 3.31Å; S137-N140 PolarHBondContact OG-ND2 3.32Å; S137-V141 WeakPolarHBondContact O-CG2 3.47Å; S137-V141 PolarHBondContact O-N 2.91Å
138R96Very high93.5Very high129 Ų12942.5 Ų42.549%0.48727%0.266SS..Hα-helixtrans-52.3-46.3173-169.3-172.5172.888.92.2112.9N140 V141 E142 D160 L162R138-N140 PolarHBondContact O-N 3.46Å; R138-V141 PolarHBondContact O-N 2.87Å; R138-E142 IonicContact CZ-OE1 3.53Å; R138-E142 IonicContact NE-OE1 2.64Å; R138-E142 PolarHBondContact NE-OE1 2.8Å; R138-E142 IonicContact NH2-OE1 3.19Å; R138-E142 WeakPolarHBondContact O-CG 3.29Å; R138-E142 PolarHBondContact O-N 3.31Å; R138-D160 HydrophobicContact CB-CB 4.31Å; R138-L162 HydrophobicContact CG-CB 4.44Å; R138-L162 HydrophobicContact CG-CD2 3.65Å
139D95.9Very high93.5Very high75 Ų7541.9 Ų41.940%0.40126%0.262SS..Hα-helixtrans-63.5-40.7179.1-179.466.5000111.4R97 S137 V141 E142 V143R97-D139 IonicContact CZ-OD1 2.79Å; R97-D139 IonicContact NE-OD1 2.67Å; R97-D139 IonicContact NH2-OD1 2.72Å; R97-D139 PolarHBondContact NH2-OD1 2.83Å; S137-D139 VanDerWaalsContact C-N 3.3Å; S137-D139 PolarHBondContact O-N 3.36Å; D139-V141 PolarHBondContact O-N 2.88Å; D139-E142 PolarHBondContact O-N 3.36Å; D139-V143 WeakPolarHBondContact O-CG2 3.45Å; D139-V143 PolarHBondContact O-N 3.39Å
140N96.8Very high93.5Very high25 Ų2541.6 Ų41.613%0.13426%0.262CS..Hα-helixtrans-61-45.6175.7-66.6-15.2000111.3I131 L136 S137 R138 E142 V143 L144I131-N140 HydrophobicContact CD1-CB 4.06Å; L136-N140 HydrophobicContact CB-CB 4.06Å; L136-N140 HydrophobicContact CD2-CB 4.29Å; S137-N140 WeakPolarHBondContact O-CB 3.43Å; S137-N140 PolarHBondContact O-N 2.98Å; S137-N140 VanDerWaalsContact O-N 3.15Å; S137-N140 VanDerWaalsContact OG-CG 3.23Å; S137-N140 PolarHBondContact OG-N 3.31Å; S137-N140 PolarHBondContact OG-ND2 3.32Å; R138-N140 PolarHBondContact O-N 3.46Å; N140-E142 VanDerWaalsContact C-N 3.28Å; N140-E142 PolarHBondContact O-N 3.43Å; N140-V143 PolarHBondContact O-N 2.97Å; N140-L144 WeakPolarHBondContact O-CB 3.48Å; N140-L144 WeakPolarHBondContact O-CG 3.49Å; N140-L144 PolarHBondContact O-N 3.09Å
141V96.8Very high93.6Very high0 Ų038.7 Ų38.70%023%0.232CC..Hα-helixtrans-62.1-36.5177.4172.40000111.5L136 S137 R138 D139 G145 L162 I163 K166L136-V141 HydrophobicContact CB-CG2 3.8Å; L136-V141 HydrophobicContact CD1-CG2 4.49Å; S137-V141 WeakPolarHBondContact O-CG2 3.47Å; S137-V141 PolarHBondContact O-N 2.91Å; R138-V141 PolarHBondContact O-N 2.87Å; D139-V141 PolarHBondContact O-N 2.88Å; V141-G145 PolarHBondContact O-N 3.41Å; V141-L162 HydrophobicContact CG1-CB 4.36Å; V141-L162 HydrophobicContact CG1-CD2 4.31Å; V141-L162 HydrophobicContact CG1-CG 4.19Å; V141-I163 HydrophobicContact CG1-CB 4.15Å; V141-I163 HydrophobicContact CG1-CG1 4.46Å; V141-I163 HydrophobicContact CG2-CB 4.24Å; V141-K166 HydrophobicContact CG1-CG 3.66Å
142E96.4Very high93.6Very high88 Ų8842 Ų4241%0.41125%0.249SC..Hα-helixtrans-67-44.6175.7-73.5-179.6-171.800112.3R138 D139 N140 L162R138-E142 IonicContact CZ-OE1 3.53Å; R138-E142 IonicContact NE-OE1 2.64Å; R138-E142 PolarHBondContact NE-OE1 2.8Å; R138-E142 IonicContact NH2-OE1 3.19Å; R138-E142 WeakPolarHBondContact O-CG 3.29Å; R138-E142 PolarHBondContact O-N 3.31Å; D139-E142 PolarHBondContact O-N 3.36Å; N140-E142 VanDerWaalsContact C-N 3.28Å; N140-E142 PolarHBondContact O-N 3.43Å; E142-L162 HydrophobicContact CG-CD2 3.53Å
143V96.9Very high94Very high5 Ų542.3 Ų42.33%0.0323%0.234CC..Hα-helixtrans-66.9-43.9178.2172.10000111.7R97 F100 S101 L129 D139 N140 G145R97-V143 HydrophobicContact CG-CG1 4.45Å; R97-V143 HydrophobicContact CG-CG2 3.98Å; F100-V143 CarbonylContact C-O 3.55Å; F100-V143 HydrophobicContact CB-CG1 3.87Å; F100-V143 VanDerWaalsContact O-O 3.07Å; S101-V143 WeakPolarHBondContact CA-O 3.39Å; L129-V143 HydrophobicContact CD1-CG1 3.8Å; L129-V143 HydrophobicContact CD2-CG1 4.42Å; D139-V143 WeakPolarHBondContact O-CG2 3.45Å; D139-V143 PolarHBondContact O-N 3.39Å; N140-V143 PolarHBondContact O-N 2.97Å; V143-G145 VanDerWaalsContact C-N 3.31Å; V143-G145 PolarHBondContact O-N 3.22Å
144L96.8Very high94.5Very high0 Ų042.2 Ų42.20%023%0.226CC..Hα-helixtrans-70.2-26.3-176.3-68.9171.6000112.9G104 F122 A125 L136 N140 N146 M147G104-L144 VanDerWaalsContact CA-O 3.27Å; G104-L144 WeakPolarHBondContact CA-O 3.46Å; F122-L144 HydrophobicContact CD2-CD1 4.32Å; F122-L144 HydrophobicContact CD2-CD2 4.39Å; F122-L144 HydrophobicContact CE2-CD1 3.86Å; A125-L144 HydrophobicContact CB-CD2 3.68Å; L136-L144 HydrophobicContact CD1-CD1 3.75Å; L136-L144 HydrophobicContact CD2-CD1 4Å; L136-L144 HydrophobicContact CG-CD1 4.46Å; N140-L144 WeakPolarHBondContact O-CB 3.48Å; N140-L144 WeakPolarHBondContact O-CG 3.49Å; N140-L144 PolarHBondContact O-N 3.09Å; L144-N146 PolarHBondContact O-N 3.03Å; L144-M147 HydrophobicContact CB-CB 4.25Å; L144-M147 HydrophobicContact CD2-CE 4.42Å; L144-M147 HydrophobicContact CD2-SD 3.65Å; L144-M147 WeakPolarHBondContact O-CB 3.48Å; L144-M147 PolarHBondContact O-N 3.4Å
145G96Very high95.1Very high9 Ų939.2 Ų39.29%0.09321%0.207CC..G310 helixtrans54.3-125.2173.600000112.8V141 V143 M147 V148V141-G145 PolarHBondContact O-N 3.41Å; V143-G145 VanDerWaalsContact C-N 3.31Å; V143-G145 PolarHBondContact O-N 3.22Å; G145-M147 PolarHBondContact O-N 3.16Å; G145-V148 VanDerWaalsContact O-CG1 3.3Å; G145-V148 WeakPolarHBondContact O-CG1 3.23Å; G145-V148 WeakPolarHBondContact O-CG2 3.41Å; G145-V148 PolarHBondContact O-N 2.79Å
146N95.1Very high95.5Very high47 Ų4736 Ų3625%0.25119%0.185SC..G310 helixtrans-68.4-9.8178.9-64.6-10.6000113.9G104 T106 F108 L144 V148 C149G104-N146 VanDerWaalsContact O-CB 3.23Å; G104-N146 WeakPolarHBondContact O-CB 3.22Å; G104-N146 PolarHBondContact O-N 3.2Å; T106-N146 VanDerWaalsContact O-CB 3.3Å; T106-N146 WeakPolarHBondContact O-CB 3.32Å; T106-N146 PolarHBondContact O-ND2 3.04Å; F108-N146 HydrophobicContact CD2-CB 4.48Å; F108-N146 HydrophobicContact CE2-CB 4.44Å; L144-N146 PolarHBondContact O-N 3.03Å; N146-V148 PolarHBondContact O-N 2.92Å; N146-V148 VanDerWaalsContact O-N 3.15Å; N146-C149 WeakPolarHBondContact O-CB 3.48Å; N146-C149 PolarHBondContact O-N 3.01Å; N146-C149 VanDerWaalsContact O-N 3.08Å; N146-C149 PolarHBondContact O-SG 3.28Å
147M95.7Very high95.4Very high0 Ų038.2 Ų38.20%020%0.196CC..G310 helixtrans-61.7-20.2172.6-168.1179.7-66.300111.4F100 L103 F108 K121 F122 A125 L144 G145 C149 T150F100-M147 HydrophobicContact CD1-CE 3.85Å; F100-M147 HydrophobicContact CE1-CE 4.08Å; L103-M147 HydrophobicContact CD2-CE 3.55Å; L103-M147 HydrophobicContact CG-CE 4.23Å; F108-M147 HydrophobicContact CE1-CB 4.38Å; F108-M147 HydrophobicContact CE1-CE 4.01Å; F108-M147 HydrophobicContact CE1-CG 4.05Å; F108-M147 VanDerWaalsContact CE2-CA 3.43Å; F108-M147 HydrophobicContact CE2-CB 3.78Å; F108-M147 HydrophobicContact CE2-CG 4.33Å; F108-M147 HydrophobicContact CZ-CB 3.61Å; F108-M147 HydrophobicContact CZ-CE 3.68Å; F108-M147 HydrophobicContact CZ-CG 3.77Å; K121-M147 HydrophobicContact CB-CE 3.95Å; F122-M147 VanDerWaalsContact CA-SD 3.55Å; F122-M147 HydrophobicContact CB-CG 4.48Å; F122-M147 HydrophobicContact CB-SD 3.82Å; F122-M147 HydrophobicContact CD2-SD 3.96Å; F122-M147 HydrophobicContact CG-SD 4.38Å; A125-M147 HydrophobicContact CB-SD 4.29Å; L144-M147 HydrophobicContact CB-CB 4.25Å; L144-M147 HydrophobicContact CD2-CE 4.42Å; L144-M147 HydrophobicContact CD2-SD 3.65Å; L144-M147 WeakPolarHBondContact O-CB 3.48Å; L144-M147 PolarHBondContact O-N 3.4Å; G145-M147 PolarHBondContact O-N 3.16Å; M147-C149 PolarHBondContact O-N 3.16Å; M147-T150 PolarHBondContact O-N 2.85Å; M147-T150 PolarHBondContact O-OG1 3.16Å
148V95.5Very high95.2Very high0 Ų039.5 Ų39.50%020%0.198CC..G310 helixtrans-54.7-27.5173.1-58.10000112.9G145 N146 T150 L151 I163 K166 L167G145-V148 VanDerWaalsContact O-CG1 3.3Å; G145-V148 WeakPolarHBondContact O-CG1 3.23Å; G145-V148 WeakPolarHBondContact O-CG2 3.41Å; G145-V148 PolarHBondContact O-N 2.79Å; N146-V148 PolarHBondContact O-N 2.92Å; N146-V148 VanDerWaalsContact O-N 3.15Å; V148-T150 PolarHBondContact O-N 3.18Å; V148-L151 HydrophobicContact CB-CD1 4.15Å; V148-L151 HydrophobicContact CG1-CD1 4.17Å; V148-L151 WeakPolarHBondContact O-CB 3.29Å; V148-L151 PolarHBondContact O-N 2.89Å; V148-I163 HydrophobicContact CB-CD1 4.47Å; V148-I163 HydrophobicContact CB-CG1 4.16Å; V148-I163 HydrophobicContact CG1-CD1 4.23Å; V148-I163 HydrophobicContact CG1-CG1 3.9Å; V148-K166 HydrophobicContact CB-CB 4.25Å; V148-K166 HydrophobicContact CG1-CB 3.95Å; V148-K166 HydrophobicContact CG1-CG 4.44Å; V148-K166 HydrophobicContact CG2-CB 3.44Å; V148-K166 VanDerWaalsContact CG2-CB 3.44Å; V148-L167 HydrophobicContact CB-CD2 4.44Å; V148-L167 HydrophobicContact CG2-CD2 4.09Å
149C94.7Very high95.2Very high32 Ų3233.7 Ų33.722%0.21618%0.177CC..G310 helixtrans-69.2-14.6179.6-53.30000113N146 M147 C170 Q177N146-C149 WeakPolarHBondContact O-CB 3.48Å; N146-C149 PolarHBondContact O-N 3.01Å; N146-C149 VanDerWaalsContact O-N 3.08Å; N146-C149 PolarHBondContact O-SG 3.28Å; M147-C149 PolarHBondContact O-N 3.16Å; C149-C170 WeakPolarHBondContact CA-SG 3.45Å; C149-C170 HydrophobicContact CB-CB 3.82Å; C149-C170 WeakPolarHBondContact CB-SG 3.25Å; C149-C170 WeakPolarHBondContact SG-CA 2.95Å; C149-C170 WeakPolarHBondContact SG-CB 3.41Å; C149-C170 CovalentContact SG-SG 2.03Å; C149-C170 PolarHBondContact SG-SG 3.41Å; C149-Q177 PolarHBondContact O-NE2 2.98Å
150T93.1Very high95.2Very high37 Ų3732.6 Ų32.623%0.22717%0.171CC..G310 helixtrans-103.9-0.6177.873.20000112.9F108 M147 V148F108-T150 HydrophobicContact CB-CG2 3.44Å; F108-T150 VanDerWaalsContact CB-CG2 3.44Å; F108-T150 HydrophobicContact CD1-CG2 3.8Å; F108-T150 HydrophobicContact CD2-CG2 4.37Å; F108-T150 HydrophobicContact CG-CG2 3.61Å; M147-T150 PolarHBondContact O-N 2.85Å; M147-T150 PolarHBondContact O-OG1 3.16Å; V148-T150 PolarHBondContact O-N 3.18Å
151L94.8Very high95.1Very high3 Ų333.3 Ų33.32%0.01618%0.177CC..  trans-76149.2-177.8-61.6-177.7000111.3F122 L136 V148 D155 I156 I163 Q177F122-L151 HydrophobicContact CB-CD2 4.4Å; F122-L151 HydrophobicContact CD1-CD2 3.62Å; F122-L151 HydrophobicContact CD2-CD2 3.45Å; F122-L151 VanDerWaalsContact CD2-CD2 3.45Å; F122-L151 HydrophobicContact CE1-CD2 3.58Å; F122-L151 HydrophobicContact CE2-CD2 3.42Å; F122-L151 VanDerWaalsContact CE2-CD2 3.42Å; F122-L151 HydrophobicContact CG-CD2 3.54Å; F122-L151 HydrophobicContact CZ-CD2 3.47Å; F122-L151 VanDerWaalsContact CZ-CD2 3.47Å; L136-L151 HydrophobicContact CD1-CD1 3.57Å; V148-L151 HydrophobicContact CB-CD1 4.15Å; V148-L151 HydrophobicContact CG1-CD1 4.17Å; V148-L151 WeakPolarHBondContact O-CB 3.29Å; V148-L151 PolarHBondContact O-N 2.89Å; L151-D155 HydrophobicContact CB-CB 4.08Å; L151-D155 HydrophobicContact CD1-CB 4.34Å; L151-D155 HydrophobicContact CD2-CB 4.42Å; L151-I156 HydrophobicContact CB-CD1 4.27Å; L151-I156 HydrophobicContact CB-CG1 3.9Å; L151-I163 HydrophobicContact CD1-CD1 4.05Å; L151-Q177 PolarHBondContact O-NE2 3.21Å
152D93.5Very high95.1Very high82 Ų8234.6 Ų34.644%0.43918%0.184SC..  trans-80176.8174.876.130.3000111.9S154 D155 I156D152-S154 VanDerWaalsContact C-N 3.29Å; D152-S154 PolarHBondContact O-N 3.33Å; D152-S154 WeakPolarHBondContact OD1-CA 3.03Å; D152-S154 WeakPolarHBondContact OD1-CB 3.4Å; D152-S154 PolarHBondContact OD1-N 2.93Å; D152-S154 PolarHBondContact OD1-OG 2.9Å; D152-D155 PolarHBondContact OD1-N 3.24Å; D152-I156 WeakPolarHBondContact O-CG1 3.44Å; D152-I156 PolarHBondContact O-N 2.85Å; D152-I156 VanDerWaalsContact O-N 3.15Å
153R95Very high95.1Very high115 Ų11530.4 Ų30.443%0.43417%0.165SC..Hα-helixtrans-56.1-44.1179.3176.1177.1-176.1157.310.9112.4I156 E157 A180R153-I156 PolarHBondContact O-N 3.46Å; R153-E157 HydrophobicContact CG-CG 4.16Å; R153-E157 IonicContact CZ-OE1 3.29Å; R153-E157 VanDerWaalsContact CZ-OE1 3.29Å; R153-E157 VanDerWaalsContact NE-CD 3.3Å; R153-E157 IonicContact NE-OE1 2.6Å; R153-E157 PolarHBondContact NE-OE1 3.48Å; R153-E157 IonicContact NE-OE2 2.83Å; R153-E157 PolarHBondContact NE-OE2 2.94Å; R153-E157 IonicContact NH2-OE1 2.87Å; R153-E157 PolarHBondContact NH2-OE1 3.49Å; R153-E157 WeakPolarHBondContact O-CB 3.28Å; R153-E157 WeakPolarHBondContact O-CG 3.42Å; R153-E157 PolarHBondContact O-N 3.45Å; R153-A180 HydrophobicContact CG-CB 4.08Å
154S93.9Very high95Very high44 Ų4430.2 Ų30.231%0.30816%0.163SC..Hα-helixtrans-70.9-40.9-172.472.20000111.8D152 I156 N158D152-S154 VanDerWaalsContact C-N 3.29Å; D152-S154 PolarHBondContact O-N 3.33Å; D152-S154 WeakPolarHBondContact OD1-CA 3.03Å; D152-S154 WeakPolarHBondContact OD1-CB 3.4Å; D152-S154 PolarHBondContact OD1-N 2.93Å; D152-S154 PolarHBondContact OD1-OG 2.9Å; S154-I156 VanDerWaalsContact C-N 3.29Å; S154-I156 PolarHBondContact O-N 3.37Å; S154-N158 PolarHBondContact O-N 3.48Å; S154-N158 PolarHBondContact O-ND2 3.05Å
155D94.5Very high94.9Very high9 Ų932.9 Ų32.95%0.04818%0.176CC..Hα-helixtrans-64.9-37.1174.9-67.9-53.3000110.5F122 R126 L151 D152 S159F122-D155 HydrophobicContact CE1-CB 4.5Å; F122-D155 WeakPolarHBondContact CE1-OD2 3.4Å; F122-D155 HydrophobicContact CZ-CB 4.45Å; R126-D155 IonicContact NH1-OD1 3.23Å; R126-D155 PolarHBondContact NH1-OD1 3.03Å; R126-D155 VanDerWaalsContact NH1-OD1 3.13Å; L151-D155 HydrophobicContact CB-CB 4.08Å; L151-D155 HydrophobicContact CD1-CB 4.34Å; L151-D155 HydrophobicContact CD2-CB 4.42Å; D152-D155 PolarHBondContact OD1-N 3.24Å; D155-S159 VanDerWaalsContact O-CB 3.31Å; D155-S159 WeakPolarHBondContact O-CB 3.44Å; D155-S159 PolarHBondContact O-OG 3Å
156I95.9Very high94.9Very high0 Ų035.3 Ų35.30%018%0.184CC..Hα-helixtrans-71.4-52.9178.5-64.5167.7000111.7L151 D152 R153 S154 N158 S159 I163 L167 Q177 A180 L184L151-I156 HydrophobicContact CB-CD1 4.27Å; L151-I156 HydrophobicContact CB-CG1 3.9Å; D152-I156 WeakPolarHBondContact O-CG1 3.44Å; D152-I156 PolarHBondContact O-N 2.85Å; D152-I156 VanDerWaalsContact O-N 3.15Å; R153-I156 PolarHBondContact O-N 3.46Å; S154-I156 VanDerWaalsContact C-N 3.29Å; S154-I156 PolarHBondContact O-N 3.37Å; I156-N158 PolarHBondContact O-N 3.38Å; I156-S159 PolarHBondContact O-N 3.19Å; I156-I163 HydrophobicContact CB-CD1 4.33Å; I156-I163 HydrophobicContact CG1-CD1 4.05Å; I156-I163 HydrophobicContact CG2-CD1 4.35Å; I156-I163 HydrophobicContact CG2-CG2 4.5Å; I156-L167 HydrophobicContact CD1-CD2 4.24Å; I156-L167 HydrophobicContact CG2-CD1 4.05Å; I156-Q177 HydrophobicContact CD1-CB 3.98Å; I156-Q177 HydrophobicContact CD1-CG 3.67Å; I156-A180 HydrophobicContact CB-CB 3.73Å; I156-A180 HydrophobicContact CG2-CB 3.57Å; I156-L184 HydrophobicContact CG2-CD1 3.95Å; I156-L184 WeakPolarHBondContact O-CD1 3.47Å
157E94.3Very high94.9Very high47 Ų4733.1 Ų33.122%0.2217%0.172CC..Hα-helixtrans-60.1-31.9-173.4-76.2-178.7158.300113.6R153 A180 T183 L184R153-E157 HydrophobicContact CG-CG 4.16Å; R153-E157 IonicContact CZ-OE1 3.29Å; R153-E157 VanDerWaalsContact CZ-OE1 3.29Å; R153-E157 VanDerWaalsContact NE-CD 3.3Å; R153-E157 IonicContact NE-OE1 2.6Å; R153-E157 PolarHBondContact NE-OE1 3.48Å; R153-E157 IonicContact NE-OE2 2.83Å; R153-E157 PolarHBondContact NE-OE2 2.94Å; R153-E157 IonicContact NH2-OE1 2.87Å; R153-E157 PolarHBondContact NH2-OE1 3.49Å; R153-E157 WeakPolarHBondContact O-CB 3.28Å; R153-E157 WeakPolarHBondContact O-CG 3.42Å; R153-E157 PolarHBondContact O-N 3.45Å; E157-A180 VanDerWaalsContact CG-CA 3.4Å; E157-A180 HydrophobicContact CG-CB 3.49Å; E157-A180 VanDerWaalsContact CG-CB 3.49Å; E157-T183 HydrophobicContact CG-CG2 4.31Å; E157-T183 PolarHBondContact OE1-OG1 3.36Å; E157-L184 WeakPolarHBondContact O-CD2 3.34Å
158N92.6Very high94.8Very high82 Ų8235.3 Ų35.344%0.43918%0.182SC..THydrogen-bonded Turntrans-96.3-2.1-175.2-63.7-65.3000113.6V134 S135 S154 I156V134-N158 HydrophobicContact CG2-CB 4.17Å; S135-N158 WeakPolarHBondContact CB-O 3.32Å; S135-N158 PolarHBondContact OG-O 3.2Å; S154-N158 PolarHBondContact O-N 3.48Å; S154-N158 PolarHBondContact O-ND2 3.05Å; I156-N158 PolarHBondContact O-N 3.38Å
159S95.4Very high94.6Very high8 Ų838.2 Ų38.26%0.05621%0.205CC..SBendtrans-85165.9-176.8-73.70000113.6L136 D155 I156L136-S159 WeakPolarHBondContact CB-OG 3.35Å; L136-S159 VanDerWaalsContact CG-OG 3.24Å; L136-S159 WeakPolarHBondContact CG-OG 3.25Å; L136-S159 PolarHBondContact N-OG 3.1Å; D155-S159 VanDerWaalsContact O-CB 3.31Å; D155-S159 WeakPolarHBondContact O-CB 3.44Å; D155-S159 PolarHBondContact O-OG 3Å; I156-S159 PolarHBondContact O-N 3.19Å
160D95.9Very high94.5Very high51 Ų5137 Ų3727%0.27320%0.197SC..  trans-53136.6171.6-172.9-81.4000111.2L136 R138 L162 I163L136-D160 PolarHBondContact O-N 3.27Å; R138-D160 HydrophobicContact CB-CB 4.31Å; D160-L162 PolarHBondContact O-N 2.61Å; D160-L162 WeakPolarHBondContact OD1-CB 3.28Å; D160-L162 PolarHBondContact OD1-N 3.23Å; D160-I163 WeakPolarHBondContact O-CB 3.15Å; D160-I163 VanDerWaalsContact O-CG2 3.29Å; D160-I163 WeakPolarHBondContact O-CG2 3.38Å; D160-I163 PolarHBondContact O-N 2.93Å
161P95.1Very high94.3Very high40 Ų4041.7 Ų41.726%0.2622%0.215SC..THydrogen-bonded Turntrans-55.5-19-178-28.435.8000115.7I163 L164 T190P161-I163 PolarHBondContact O-N 3.26Å; P161-I163 VanDerWaalsContact O-N 3.09Å; P161-L164 PolarHBondContact O-N 3.21Å; P161-T190 HydrophobicContact CB-CG2 4.26Å
162L95.4Very high94.1Very high28 Ų2845.9 Ų45.915%0.14724%0.237CC..THydrogen-bonded Turntrans-54.4-24.1171.3-177.765.8000112.6R138 V141 E142 D160 L164 E165R138-L162 HydrophobicContact CG-CB 4.44Å; R138-L162 HydrophobicContact CG-CD2 3.65Å; V141-L162 HydrophobicContact CG1-CB 4.36Å; V141-L162 HydrophobicContact CG1-CD2 4.31Å; V141-L162 HydrophobicContact CG1-CG 4.19Å; E142-L162 HydrophobicContact CG-CD2 3.53Å; D160-L162 PolarHBondContact O-N 2.61Å; D160-L162 WeakPolarHBondContact OD1-CB 3.28Å; D160-L162 PolarHBondContact OD1-N 3.23Å; L162-L164 PolarHBondContact O-N 3.12Å; L162-L164 VanDerWaalsContact O-N 3.15Å; L162-E165 HydrophobicContact CD1-CB 4.1Å; L162-E165 HydrophobicContact CD1-CG 4.02Å; L162-E165 VanDerWaalsContact O-CB 3.3Å; L162-E165 WeakPolarHBondContact O-CB 3.45Å; L162-E165 PolarHBondContact O-N 3.45Å
163I96.4Very high94.1Very high0 Ų042.6 Ų42.60%022%0.219CC..Hα-helixtrans-56.2-31.8178.5-162.5166.5000112.7V141 V148 L151 I156 D160 P161 E165 K166 L167 L184V141-I163 HydrophobicContact CG1-CB 4.15Å; V141-I163 HydrophobicContact CG1-CG1 4.46Å; V141-I163 HydrophobicContact CG2-CB 4.24Å; V148-I163 HydrophobicContact CB-CD1 4.47Å; V148-I163 HydrophobicContact CB-CG1 4.16Å; V148-I163 HydrophobicContact CG1-CD1 4.23Å; V148-I163 HydrophobicContact CG1-CG1 3.9Å; L151-I163 HydrophobicContact CD1-CD1 4.05Å; I156-I163 HydrophobicContact CB-CD1 4.33Å; I156-I163 HydrophobicContact CG1-CD1 4.05Å; I156-I163 HydrophobicContact CG2-CD1 4.35Å; I156-I163 HydrophobicContact CG2-CG2 4.5Å; D160-I163 WeakPolarHBondContact O-CB 3.15Å; D160-I163 VanDerWaalsContact O-CG2 3.29Å; D160-I163 WeakPolarHBondContact O-CG2 3.38Å; D160-I163 PolarHBondContact O-N 2.93Å; P161-I163 PolarHBondContact O-N 3.26Å; P161-I163 VanDerWaalsContact O-N 3.09Å; I163-E165 PolarHBondContact O-N 2.99Å; I163-K166 PolarHBondContact O-N 2.88Å; I163-L167 WeakPolarHBondContact O-CG 3.29Å; I163-L167 PolarHBondContact O-N 3.18Å; I163-L184 HydrophobicContact CG2-CD1 3.53Å
164L95.8Very high94Very high1 Ų139.5 Ų39.51%0.00522%0.215CC..Hα-helixtrans-59.3-34.4175-67.3175.6000112.2P161 L162 K166 L167 K168 M181 L184 L185 T190 Y192P161-L164 PolarHBondContact O-N 3.21Å; L162-L164 PolarHBondContact O-N 3.12Å; L162-L164 VanDerWaalsContact O-N 3.15Å; L164-K166 VanDerWaalsContact C-N 3.32Å; L164-L167 HydrophobicContact CD2-CD1 4.32Å; L164-L167 PolarHBondContact O-N 3.06Å; L164-K168 PolarHBondContact O-N 3.31Å; L164-M181 HydrophobicContact CD2-CB 4.22Å; L164-M181 HydrophobicContact CD2-CG 3.57Å; L164-L184 HydrophobicContact CD1-CB 4.23Å; L164-L184 HydrophobicContact CD2-CB 4.19Å; L164-L184 HydrophobicContact CD2-CD1 4.05Å; L164-L184 HydrophobicContact CG-CB 4.41Å; L164-L184 HydrophobicContact CG-CD1 4.19Å; L164-L185 HydrophobicContact CD1-CD2 3.78Å; L164-L185 HydrophobicContact CD1-CG 4.22Å; L164-T190 HydrophobicContact CD1-CG2 3.42Å; L164-T190 VanDerWaalsContact CD1-CG2 3.42Å; L164-Y192 HydrophobicContact CD1-CE2 4.42Å
165E94.9Very high94Very high55 Ų5541.6 Ų41.626%0.25724%0.235SC..Hα-helixtrans-71-32.1177.8-58.2-54.9112.900112.1L162 I163 K168 Q191 Y192L162-E165 HydrophobicContact CD1-CB 4.1Å; L162-E165 HydrophobicContact CD1-CG 4.02Å; L162-E165 VanDerWaalsContact O-CB 3.3Å; L162-E165 WeakPolarHBondContact O-CB 3.45Å; L162-E165 PolarHBondContact O-N 3.45Å; I163-E165 PolarHBondContact O-N 2.99Å; E165-K168 VanDerWaalsContact OE1-CE 3.25Å; E165-K168 WeakPolarHBondContact OE1-CE 3.22Å; E165-K168 IonicContact OE1-NZ 2.6Å; E165-K168 PolarHBondContact OE1-NZ 3.11Å; E165-K168 WeakPolarHBondContact OE2-CE 3.49Å; E165-K168 IonicContact OE2-NZ 2.97Å; E165-K168 PolarHBondContact OE2-NZ 2.83Å; E165-Q191 PolarHBondContact OE1-NE2 3.14Å; E165-Q191 PolarHBondContact OE2-NE2 2.97Å; E165-Y192 PolarHBondContact OE1-OH 2.81Å
166K95.1Very high94.1Very high61 Ų6143.8 Ų43.827%0.26525%0.251SS..Hα-helixtrans-75.5-36.2174.9-57.9-58.4-174.7177.10111.4V141 V148 I163 L164 K168 A169V141-K166 HydrophobicContact CG1-CG 3.66Å; V148-K166 HydrophobicContact CB-CB 4.25Å; V148-K166 HydrophobicContact CG1-CB 3.95Å; V148-K166 HydrophobicContact CG1-CG 4.44Å; V148-K166 HydrophobicContact CG2-CB 3.44Å; V148-K166 VanDerWaalsContact CG2-CB 3.44Å; I163-K166 PolarHBondContact O-N 2.88Å; L164-K166 VanDerWaalsContact C-N 3.32Å; K166-K168 PolarHBondContact O-N 3.3Å; K166-A169 WeakPolarHBondContact O-CB 3.26Å; K166-A169 PolarHBondContact O-N 3.42Å; K166-A169 VanDerWaalsContact O-N 3.09Å
167L95.8Very high94.1Very high1 Ų144.5 Ų44.51%0.00526%0.255CS..Hα-helixtrans-61.5-25.5177.3-70.3175000113.4V148 I156 I163 L164 A169 C170 L173 M181 L209V148-L167 HydrophobicContact CB-CD2 4.44Å; V148-L167 HydrophobicContact CG2-CD2 4.09Å; I156-L167 HydrophobicContact CD1-CD2 4.24Å; I156-L167 HydrophobicContact CG2-CD1 4.05Å; I163-L167 WeakPolarHBondContact O-CG 3.29Å; I163-L167 PolarHBondContact O-N 3.18Å; L164-L167 HydrophobicContact CD2-CD1 4.32Å; L164-L167 PolarHBondContact O-N 3.06Å; L167-A169 PolarHBondContact O-N 3.14Å; L167-C170 VanDerWaalsContact O-CB 3.29Å; L167-C170 WeakPolarHBondContact O-CB 3.37Å; L167-C170 PolarHBondContact O-N 2.86Å; L167-C170 PolarHBondContact O-SG 2.89Å; L167-L173 HydrophobicContact CD2-CD2 3.94Å; L167-M181 HydrophobicContact CD1-CB 4.3Å; L167-M181 HydrophobicContact CD1-CG 4.48Å; L167-L209 HydrophobicContact CB-CD2 4.24Å
168K93.9Very high94.3Very high46 Ų4642.9 Ų42.920%0.225%0.248CC..THydrogen-bonded Turntrans-59.3-28.3174.3-65.6172.9-174-177.30113.5L164 E165 K166 C170 Y192 G205 T208 L209L164-K168 PolarHBondContact O-N 3.31Å; E165-K168 VanDerWaalsContact OE1-CE 3.25Å; E165-K168 WeakPolarHBondContact OE1-CE 3.22Å; E165-K168 IonicContact OE1-NZ 2.6Å; E165-K168 PolarHBondContact OE1-NZ 3.11Å; E165-K168 WeakPolarHBondContact OE2-CE 3.49Å; E165-K168 IonicContact OE2-NZ 2.97Å; E165-K168 PolarHBondContact OE2-NZ 2.83Å; K166-K168 PolarHBondContact O-N 3.3Å; K168-C170 VanDerWaalsContact C-N 3.31Å; K168-Y192 VanDerWaalsContact CE-OH 3.29Å; K168-Y192 WeakPolarHBondContact CE-OH 3.3Å; K168-Y192 PolarHBondContact NZ-OH 3.03Å; K168-G205 WeakPolarHBondContact CE-O 3.46Å; K168-G205 PolarHBondContact NZ-O 3.37Å; K168-T208 PolarHBondContact O-OG1 2.75Å; K168-T208 VanDerWaalsContact O-OG1 3.06Å; K168-L209 HydrophobicContact CG-CD1 3.93Å; K168-L209 HydrophobicContact CG-CD2 4.41Å; K168-L209 HydrophobicContact CG-CG 3.9Å
169A90.8Very high94.5Very high60 Ų6040.3 Ų40.350%0.49624%0.238SC..THydrogen-bonded Turntrans-82.8-9.1179.400000112.9K166 L167 K171K166-A169 WeakPolarHBondContact O-CB 3.26Å; K166-A169 PolarHBondContact O-N 3.42Å; K166-A169 VanDerWaalsContact O-N 3.09Å; L167-A169 PolarHBondContact O-N 3.14Å; A169-K171 PolarHBondContact O-N 3.2Å
170C92.8Very high94.5Very high8 Ų840 Ų405%0.05424%0.235CC..  trans-70.8130.8179.6-57.50000111.1C149 L167 K168 D172 L173C149-C170 WeakPolarHBondContact CA-SG 3.45Å; C149-C170 HydrophobicContact CB-CB 3.82Å; C149-C170 WeakPolarHBondContact CB-SG 3.25Å; C149-C170 WeakPolarHBondContact SG-CA 2.95Å; C149-C170 WeakPolarHBondContact SG-CB 3.41Å; C149-C170 CovalentContact SG-SG 2.03Å; C149-C170 PolarHBondContact SG-SG 3.41Å; L167-C170 VanDerWaalsContact O-CB 3.29Å; L167-C170 WeakPolarHBondContact O-CB 3.37Å; L167-C170 PolarHBondContact O-N 2.86Å; L167-C170 PolarHBondContact O-SG 2.89Å; K168-C170 VanDerWaalsContact C-N 3.31Å; C170-D172 PolarHBondContact O-N 3.45Å; C170-L173 HydrophobicContact CB-CD2 3.89Å
171K88.4Confident94.6Very high135 Ų13537.5 Ų37.559%0.58722%0.222SC*.SBendtrans-64.7-31.7175.6-69.8-175.8170.2-176.20112.3D107 A169 Y212 K246D107-K171 VanDerWaalsContact OD2-CE 3.24Å; D107-K171 WeakPolarHBondContact OD2-CE 3.32Å; D107-K171 IonicContact OD2-NZ 2.71Å; D107-K171 PolarHBondContact OD2-NZ 3.17Å; A169-K171 PolarHBondContact O-N 3.2Å; K171-Y212 PolarHBondContact O-OH 3.36Å; K171-Y212 VanDerWaalsContact O-OH 3.09Å; K171-K246 PolarHBondContact O-NZ 2.83Å
172D90.1Very high94.7Very high91 Ų9136.1 Ų36.149%0.48721%0.212SC..  trans-149.9160.2177.3-148.89.1000111.6C170 Y212 K246C170-D172 PolarHBondContact O-N 3.45Å; D172-Y212 WeakPolarHBondContact OD1-CE1 2.91Å; D172-K246 VanDerWaalsContact CG-NZ 3.29Å; D172-K246 VanDerWaalsContact OD1-CE 3.23Å; D172-K246 WeakPolarHBondContact OD1-CE 3.47Å; D172-K246 IonicContact OD1-NZ 3.75Å; D172-K246 PolarHBondContact OD1-NZ 3.24Å; D172-K246 IonicContact OD2-NZ 3.92Å
173L93.4Very high94.7Very high13 Ų1337.9 Ų37.97%0.06822%0.224CC..  trans-133.1133.3175.3-64.8175.8000109.8L167 C170 Q177 V178 M181 L209 Y212L167-L173 HydrophobicContact CD2-CD2 3.94Å; C170-L173 HydrophobicContact CB-CD2 3.89Å; L173-Q177 HydrophobicContact CB-CB 4.4Å; L173-Q177 HydrophobicContact CD2-CB 4.31Å; L173-V178 HydrophobicContact CB-CG2 3.85Å; L173-M181 HydrophobicContact CD1-SD 4.19Å; L173-L209 HydrophobicContact CD1-CD2 4.04Å; L173-Y212 HydrophobicContact CB-CD1 4.3Å; L173-Y212 HydrophobicContact CB-CE1 4.47Å; L173-Y212 HydrophobicContact CB-CG 4.45Å; L173-Y212 HydrophobicContact CD1-CD2 3.9Å; L173-Y212 HydrophobicContact CD1-CE2 4.3Å; L173-Y212 HydrophobicContact CD1-CG 4.17Å; L173-Y212 HydrophobicContact CG-CD2 4.47Å; L173-Y212 HydrophobicContact CG-CE2 4.48Å
174S93.6Very high94.7Very high50 Ų5038.4 Ų38.435%0.3523%0.227SC..  trans-72.3160.7173.279.20000111.3S176 Q177 V178S174-S176 PolarHBondContact O-N 3.24Å; S174-S176 VanDerWaalsContact O-N 3.17Å; S174-S176 PolarHBondContact OG-OG 3.39Å; S174-Q177 PolarHBondContact O-N 3.43Å; S174-Q177 WeakPolarHBondContact OG-CG 3.48Å; S174-Q177 PolarHBondContact OG-N 2.96Å; S174-V178 WeakPolarHBondContact O-CG2 3.28Å; S174-V178 PolarHBondContact O-N 3Å
175A94.6Very high94.7Very high88 Ų8838.5 Ų38.573%0.72723%0.228SC*.Hα-helixtrans-57.1-32.9177.200000112.9A179A175-A179 WeakPolarHBondContact O-CB 3.35Å; A175-A179 PolarHBondContact O-N 2.92Å
176S95.7Very high94.8Very high55 Ų5538.4 Ų38.439%0.38523%0.229SC..Hα-helixtrans-73.6-36.2177.2630000112.4S174 A180S174-S176 PolarHBondContact O-N 3.24Å; S174-S176 VanDerWaalsContact O-N 3.17Å; S174-S176 PolarHBondContact OG-OG 3.39Å; S176-A180 PolarHBondContact O-N 3.26Å
177Q96.7Very high94.7Very high15 Ų1538.2 Ų38.27%0.0724%0.235CC..Hα-helixtrans-68.9-38.5172.7-66.9174.6-44.500111.8C149 L151 I156 L173 S174 A180 M181C149-Q177 PolarHBondContact O-NE2 2.98Å; L151-Q177 PolarHBondContact O-NE2 3.21Å; I156-Q177 HydrophobicContact CD1-CB 3.98Å; I156-Q177 HydrophobicContact CD1-CG 3.67Å; L173-Q177 HydrophobicContact CB-CB 4.4Å; L173-Q177 HydrophobicContact CD2-CB 4.31Å; S174-Q177 PolarHBondContact O-N 3.43Å; S174-Q177 WeakPolarHBondContact OG-CG 3.48Å; S174-Q177 PolarHBondContact OG-N 2.96Å; Q177-A180 WeakPolarHBondContact O-CB 3.34Å; Q177-A180 PolarHBondContact O-N 3.38Å; Q177-M181 WeakPolarHBondContact O-CB 3.36Å; Q177-M181 PolarHBondContact O-N 3.3Å
178V97.1Very high94.6Very high13 Ų1339.6 Ų39.68%0.07925%0.249CC..Hα-helixtrans-62-46.9173.6172.30000110.5L173 S174 A180 M181 E182 Y212 T214L173-V178 HydrophobicContact CB-CG2 3.85Å; S174-V178 WeakPolarHBondContact O-CG2 3.28Å; S174-V178 PolarHBondContact O-N 3Å; V178-A180 VanDerWaalsContact C-N 3.29Å; V178-A180 PolarHBondContact O-N 2.83Å; V178-M181 HydrophobicContact CG1-CE 4.17Å; V178-M181 WeakPolarHBondContact O-CB 3.21Å; V178-M181 PolarHBondContact O-N 3.03Å; V178-E182 HydrophobicContact CG1-CG 4.45Å; V178-E182 WeakPolarHBondContact O-CG 3.42Å; V178-E182 PolarHBondContact O-N 3.12Å; V178-Y212 VanDerWaalsContact CG1-O 3.29Å; V178-Y212 WeakPolarHBondContact CG1-O 3.32Å; V178-T214 HydrophobicContact CG1-CG2 4.13Å
179A97Very high94.4Very high28 Ų2845.6 Ų45.623%0.23128%0.275CS..Hα-helixtrans-57.8-43.1175.300000111.7A175 E182 T183A175-A179 WeakPolarHBondContact O-CB 3.35Å; A175-A179 PolarHBondContact O-N 2.92Å; A179-E182 PolarHBondContact O-N 3.5Å; A179-T183 PolarHBondContact O-N 3.02Å; A179-T183 PolarHBondContact O-OG1 2.92Å
180A97.1Very high94.6Very high0 Ų043.2 Ų43.20%026%0.255CS..Hα-helixtrans-60.1-47.6176.200000113.3R153 I156 E157 S176 Q177 V178 E182 T183 L184R153-A180 HydrophobicContact CG-CB 4.08Å; I156-A180 HydrophobicContact CB-CB 3.73Å; I156-A180 HydrophobicContact CG2-CB 3.57Å; E157-A180 VanDerWaalsContact CG-CA 3.4Å; E157-A180 HydrophobicContact CG-CB 3.49Å; E157-A180 VanDerWaalsContact CG-CB 3.49Å; S176-A180 PolarHBondContact O-N 3.26Å; Q177-A180 WeakPolarHBondContact O-CB 3.34Å; Q177-A180 PolarHBondContact O-N 3.38Å; V178-A180 VanDerWaalsContact C-N 3.29Å; V178-A180 PolarHBondContact O-N 2.83Å; A180-E182 VanDerWaalsContact C-N 3.35Å; A180-E182 PolarHBondContact O-N 3.21Å; A180-T183 WeakPolarHBondContact O-CB 3.17Å; A180-T183 PolarHBondContact O-N 2.83Å; A180-L184 PolarHBondContact O-N 3.37Å
181M96.9Very high94.6Very high0 Ų049.4 Ų49.40%028%0.283CS..Hα-helixtrans-58.7-46177176.9-16665.100111.1L164 L167 L173 Q177 V178 L184 L185 L209 L213L164-M181 HydrophobicContact CD2-CB 4.22Å; L164-M181 HydrophobicContact CD2-CG 3.57Å; L167-M181 HydrophobicContact CD1-CB 4.3Å; L167-M181 HydrophobicContact CD1-CG 4.48Å; L173-M181 HydrophobicContact CD1-SD 4.19Å; Q177-M181 WeakPolarHBondContact O-CB 3.36Å; Q177-M181 PolarHBondContact O-N 3.3Å; V178-M181 HydrophobicContact CG1-CE 4.17Å; V178-M181 WeakPolarHBondContact O-CB 3.21Å; V178-M181 PolarHBondContact O-N 3.03Å; M181-L184 PolarHBondContact O-N 3.49Å; M181-L185 HydrophobicContact CG-CD1 4.26Å; M181-L185 WeakPolarHBondContact O-CG 3.43Å; M181-L185 PolarHBondContact O-N 3.41Å; M181-L209 HydrophobicContact SD-CB 3.92Å; M181-L209 HydrophobicContact SD-CD1 3.84Å; M181-L209 HydrophobicContact SD-CD2 3.73Å; M181-L209 HydrophobicContact SD-CG 4.02Å; M181-L213 HydrophobicContact CE-CD2 3.65Å
182E97.1Very high94.9Very high10 Ų1044 Ų445%0.04726%0.259CS..Hα-helixtrans-65.5-39.4177.5-67.9-166163.600112.5V178 A179 A180 L184 L185 L186 L213 T214 N216 I217V178-E182 HydrophobicContact CG1-CG 4.45Å; V178-E182 WeakPolarHBondContact O-CG 3.42Å; V178-E182 PolarHBondContact O-N 3.12Å; A179-E182 PolarHBondContact O-N 3.5Å; A180-E182 VanDerWaalsContact C-N 3.35Å; A180-E182 PolarHBondContact O-N 3.21Å; E182-L184 VanDerWaalsContact C-N 3.33Å; E182-L184 PolarHBondContact O-N 3.4Å; E182-L185 PolarHBondContact O-N 3.43Å; E182-L186 WeakPolarHBondContact O-CB 3.07Å; E182-L186 VanDerWaalsContact O-CG 3.28Å; E182-L186 WeakPolarHBondContact O-CG 3.22Å; E182-L186 PolarHBondContact O-N 3.04Å; E182-L213 HydrophobicContact CG-CD2 4.44Å; E182-T214 VanDerWaalsContact CD-OG1 3.28Å; E182-T214 WeakPolarHBondContact OE1-CB 3.48Å; E182-T214 WeakPolarHBondContact OE1-CG2 3.21Å; E182-T214 PolarHBondContact OE1-N 2.93Å; E182-T214 PolarHBondContact OE1-OG1 3.16Å; E182-T214 PolarHBondContact OE2-OG1 3.19Å; E182-T214 VanDerWaalsContact OE2-OG1 3.07Å; E182-N216 WeakPolarHBondContact OE2-CB 3.45Å; E182-N216 PolarHBondContact OE2-ND2 2.86Å; E182-I217 HydrophobicContact CB-CD1 4.21Å; E182-I217 HydrophobicContact CB-CG1 4.11Å; E182-I217 HydrophobicContact CG-CD1 4.25Å; E182-I217 HydrophobicContact CG-CG1 3.61Å; E182-I217 WeakPolarHBondContact OE1-CG1 3.32Å
183T96.4Very high95.1Very high65 Ų6540.9 Ų40.940%0.39925%0.248SC..Hα-helixtrans-57-46.9173.4-60.50000110.8E157 A179 A180 L186 S187E157-T183 HydrophobicContact CG-CG2 4.31Å; E157-T183 PolarHBondContact OE1-OG1 3.36Å; A179-T183 PolarHBondContact O-N 3.02Å; A179-T183 PolarHBondContact O-OG1 2.92Å; A180-T183 WeakPolarHBondContact O-CB 3.17Å; A180-T183 PolarHBondContact O-N 2.83Å; T183-L186 PolarHBondContact O-N 3.03Å; T183-S187 PolarHBondContact O-N 3.46Å; T183-S187 VanDerWaalsContact O-N 3.12Å
184L95.7Very high95.2Very high12 Ų1242.5 Ų42.56%0.06326%0.263CS..Hα-helixtrans-61.6-47.6176.5-75.8175.3000111.8I156 E157 I163 L164 A180 M181 E182 L186 S187 T190I156-L184 HydrophobicContact CG2-CD1 3.95Å; I156-L184 WeakPolarHBondContact O-CD1 3.47Å; E157-L184 WeakPolarHBondContact O-CD2 3.34Å; I163-L184 HydrophobicContact CG2-CD1 3.53Å; L164-L184 HydrophobicContact CD1-CB 4.23Å; L164-L184 HydrophobicContact CD2-CB 4.19Å; L164-L184 HydrophobicContact CD2-CD1 4.05Å; L164-L184 HydrophobicContact CG-CB 4.41Å; L164-L184 HydrophobicContact CG-CD1 4.19Å; A180-L184 PolarHBondContact O-N 3.37Å; M181-L184 PolarHBondContact O-N 3.49Å; E182-L184 VanDerWaalsContact C-N 3.33Å; E182-L184 PolarHBondContact O-N 3.4Å; L184-L186 PolarHBondContact O-N 3.39Å; L184-S187 WeakPolarHBondContact O-CB 3.39Å; L184-S187 PolarHBondContact O-N 3.38Å; L184-S187 PolarHBondContact O-OG 3.23Å; L184-T190 WeakPolarHBondContact O-CG2 3.3Å
185L96.3Very high95.3Very high2 Ų242 Ų421%0.0126%0.258CS..Hα-helixtrans-56.9-50.6177.7-71.3170.1000111L164 M181 E182 S187 G188 Y192 W198 L206 L213 I217L164-L185 HydrophobicContact CD1-CD2 3.78Å; L164-L185 HydrophobicContact CD1-CG 4.22Å; M181-L185 HydrophobicContact CG-CD1 4.26Å; M181-L185 WeakPolarHBondContact O-CG 3.43Å; M181-L185 PolarHBondContact O-N 3.41Å; E182-L185 PolarHBondContact O-N 3.43Å; L185-S187 PolarHBondContact O-N 2.93Å; L185-G188 PolarHBondContact O-N 3.08Å; L185-Y192 HydrophobicContact CD2-CD2 3.72Å; L185-Y192 HydrophobicContact CD2-CE2 4.22Å; L185-W198 HydrophobicContact CB-CH2 3.94Å; L185-W198 HydrophobicContact CB-CZ2 4.12Å; L185-W198 VanDerWaalsContact O-CZ2 3.31Å; L185-W198 WeakPolarHBondContact O-CZ2 3.18Å; L185-L206 HydrophobicContact CD1-CD2 4.26Å; L185-L206 HydrophobicContact CD2-CD2 3.59Å; L185-L213 HydrophobicContact CD1-CD2 4.11Å; L185-I217 HydrophobicContact CB-CD1 4.5Å
186L96.2Very high95.2Very high54 Ų5445.1 Ų45.128%0.28326%0.262SS..Hα-helixtrans-67-18.3-177.8-69.5170.9000114.1E182 T183 L184 G188 V195 W198 N216 I217E182-L186 WeakPolarHBondContact O-CB 3.07Å; E182-L186 VanDerWaalsContact O-CG 3.28Å; E182-L186 WeakPolarHBondContact O-CG 3.22Å; E182-L186 PolarHBondContact O-N 3.04Å; T183-L186 PolarHBondContact O-N 3.03Å; L184-L186 PolarHBondContact O-N 3.39Å; L186-G188 PolarHBondContact O-N 3.21Å; L186-V195 HydrophobicContact CD2-CG2 3.77Å; L186-W198 HydrophobicContact CD2-CH2 3.92Å; L186-W198 HydrophobicContact CD2-CZ3 4.23Å; L186-W198 HydrophobicContact CG-CH2 4.48Å; L186-N216 WeakPolarHBondContact CD1-ND2 3.5Å; L186-I217 HydrophobicContact CD1-CD1 4.08Å; L186-I217 HydrophobicContact CD2-CD1 3.77Å; L186-I217 HydrophobicContact CG-CD1 3.69Å
187S94.1Very high95.2Very high57 Ų5746 Ų4640%0.39927%0.268SS..THydrogen-bonded Turntrans-63.3-21.3177.877.50000114T183 L184 L185 K189T183-S187 PolarHBondContact O-N 3.46Å; T183-S187 VanDerWaalsContact O-N 3.12Å; L184-S187 WeakPolarHBondContact O-CB 3.39Å; L184-S187 PolarHBondContact O-N 3.38Å; L184-S187 PolarHBondContact O-OG 3.23Å; L185-S187 PolarHBondContact O-N 2.93Å; S187-K189 PolarHBondContact O-N 2.9Å; S187-K189 PolarHBondContact OG-N 3.44Å
188G92.4Very high95.2Very high29 Ų2946.4 Ų46.430%0.29927%0.269SS..SBendtrans72.11.5-174.900000115L185 L186L185-G188 PolarHBondContact O-N 3.08Å; L186-G188 PolarHBondContact O-N 3.21Å
189K90.6Very high95.2Very high173 Ų17348.7 Ų48.775%0.75228%0.281SS*.  trans-89.2-5-179-61.7179.9-179.6177.60113.9S187S187-K189 PolarHBondContact O-N 2.9Å; S187-K189 PolarHBondContact OG-N 3.44Å
190T93.6Very high95.1Very high10 Ų1049.4 Ų49.46%0.06128%0.28CS..SBendtrans-79.7168.6-179.974.50000110.6P161 L164 L184 Y192 G193P161-T190 HydrophobicContact CB-CG2 4.26Å; L164-T190 HydrophobicContact CD1-CG2 3.42Å; L164-T190 VanDerWaalsContact CD1-CG2 3.42Å; L184-T190 WeakPolarHBondContact O-CG2 3.3Å; T190-Y192 PolarHBondContact O-N 3.26Å; T190-Y192 WeakPolarHBondContact OG1-CB 3.4Å; T190-Y192 WeakPolarHBondContact OG1-CD2 3.4Å; T190-Y192 PolarHBondContact OG1-N 3.47Å; T190-G193 PolarHBondContact O-N 2.71Å; T190-G193 VanDerWaalsContact O-N 3.08Å
191Q93.6Very high95.1Very high137 Ų13756.2 Ų56.264%0.6431%0.312SS*.THydrogen-bonded Turntrans-61.6-12.6172.664.9175.1-5.700114E165 G193E165-Q191 PolarHBondContact OE1-NE2 3.14Å; E165-Q191 PolarHBondContact OE2-NE2 2.97Å; Q191-G193 VanDerWaalsContact C-N 3.3Å
192Y95.1Very high95.1Very high23 Ų2356.9 Ų56.99%0.0932%0.316CS..THydrogen-bonded Turntrans-85-1.3177.1-53.9-69.6000113.4L164 E165 K168 L185 T190 W198 T202 G205 L206L164-Y192 HydrophobicContact CD1-CE2 4.42Å; E165-Y192 PolarHBondContact OE1-OH 2.81Å; K168-Y192 VanDerWaalsContact CE-OH 3.29Å; K168-Y192 WeakPolarHBondContact CE-OH 3.3Å; K168-Y192 PolarHBondContact NZ-OH 3.03Å; L185-Y192 HydrophobicContact CD2-CD2 3.72Å; L185-Y192 HydrophobicContact CD2-CE2 4.22Å; T190-Y192 PolarHBondContact O-N 3.26Å; T190-Y192 WeakPolarHBondContact OG1-CB 3.4Å; T190-Y192 WeakPolarHBondContact OG1-CD2 3.4Å; T190-Y192 PolarHBondContact OG1-N 3.47Å; Y192-W198 VanDerWaalsContact O-CD1 3.29Å; Y192-W198 PolarHBondContact O-NE1 3.17Å; Y192-T202 HydrophobicContact CD1-CG2 4.23Å; Y192-T202 HydrophobicContact CG-CG2 4.4Å; Y192-G205 PolarHBondContact OH-O 3.42Å; Y192-L206 HydrophobicContact CD1-CD2 4.46Å; Y192-L206 HydrophobicContact CD2-CD2 3.89Å; Y192-L206 HydrophobicContact CE1-CD2 4.11Å; Y192-L206 HydrophobicContact CE1-CG 4.24Å; Y192-L206 HydrophobicContact CE2-CD2 3.52Å; Y192-L206 HydrophobicContact CE2-CG 4.49Å; Y192-L206 HydrophobicContact CG-CD2 4.36Å
193G94.4Very high95.1Very high25 Ų2556.4 Ų56.426%0.25831%0.314SS..  trans66.5-165.4175.300000114.5T190 Q191 W198T190-G193 PolarHBondContact O-N 2.71Å; T190-G193 VanDerWaalsContact O-N 3.08Å; Q191-G193 VanDerWaalsContact C-N 3.3Å; G193-W198 PolarHBondContact O-NE1 3.26Å
194A95.1Very high95.1Very high46 Ų4658.4 Ų58.438%0.3832%0.318SS..  trans-73.4148.1-175.900000112.6N196 S197A194-N196 VanDerWaalsContact CB-OD1 3.3Å; A194-N196 WeakPolarHBondContact CB-OD1 3.22Å; A194-N196 PolarHBondContact O-N 2.8Å; A194-N196 VanDerWaalsContact O-N 3.08Å; A194-S197 WeakPolarHBondContact O-CB 3.45Å; A194-S197 PolarHBondContact O-N 2.96Å; A194-S197 PolarHBondContact O-OG 3.46Å
195V94.8Very high95.1Very high41 Ų4159.4 Ų59.425%0.24833%0.332CS..G310 helixtrans-54.3-34.3-174.4-177.80000113.6L186 S197 W198 R220L186-V195 HydrophobicContact CD2-CG2 3.77Å; V195-S197 PolarHBondContact O-N 2.82Å; V195-W198 HydrophobicContact CB-CD2 4.42Å; V195-W198 HydrophobicContact CB-CE3 4.44Å; V195-W198 HydrophobicContact CB-CZ3 4.49Å; V195-W198 HydrophobicContact CG1-CD2 4.33Å; V195-W198 HydrophobicContact CG1-CE3 3.91Å; V195-W198 HydrophobicContact CG1-CH2 4.44Å; V195-W198 HydrophobicContact CG1-CZ3 3.96Å; V195-W198 HydrophobicContact CG2-CH2 3.87Å; V195-W198 HydrophobicContact CG2-CZ2 3.9Å; V195-W198 HydrophobicContact CG2-CZ3 4.24Å; V195-W198 WeakPolarHBondContact O-CB 3.3Å; V195-W198 PolarHBondContact O-N 3.46Å; V195-R220 HydrophobicContact CG1-CB 4Å; V195-R220 HydrophobicContact CG1-CG 3.86Å
196N93.9Very high95.1Very high153 Ų15359.5 Ų59.582%0.81833%0.332SS*.G310 helixtrans-71.8-15.4179.264.2-18.3000114.1A194A194-N196 VanDerWaalsContact CB-OD1 3.3Å; A194-N196 WeakPolarHBondContact CB-OD1 3.22Å; A194-N196 PolarHBondContact O-N 2.8Å; A194-N196 VanDerWaalsContact O-N 3.08Å
197S95.3Very high95.1Very high73 Ų7358.6 Ų58.651%0.5134%0.335SS..G310 helixtrans-92.7-6.6176.569.20000113.3A194 V195A194-S197 WeakPolarHBondContact O-CB 3.45Å; A194-S197 PolarHBondContact O-N 2.96Å; A194-S197 PolarHBondContact O-OG 3.46Å; V195-S197 PolarHBondContact O-N 2.82Å
198W96.9Very high95Very high23 Ų2358 Ų589%0.08733%0.33CS..  trans-68.9136-173.9-67.2-7.1000113.2L185 L186 Y192 G193 V195 T202 I217 R220 F221L185-W198 HydrophobicContact CB-CH2 3.94Å; L185-W198 HydrophobicContact CB-CZ2 4.12Å; L185-W198 VanDerWaalsContact O-CZ2 3.31Å; L185-W198 WeakPolarHBondContact O-CZ2 3.18Å; L186-W198 HydrophobicContact CD2-CH2 3.92Å; L186-W198 HydrophobicContact CD2-CZ3 4.23Å; L186-W198 HydrophobicContact CG-CH2 4.48Å; Y192-W198 VanDerWaalsContact O-CD1 3.29Å; Y192-W198 PolarHBondContact O-NE1 3.17Å; G193-W198 PolarHBondContact O-NE1 3.26Å; V195-W198 HydrophobicContact CB-CD2 4.42Å; V195-W198 HydrophobicContact CB-CE3 4.44Å; V195-W198 HydrophobicContact CB-CZ3 4.49Å; V195-W198 HydrophobicContact CG1-CD2 4.33Å; V195-W198 HydrophobicContact CG1-CE3 3.91Å; V195-W198 HydrophobicContact CG1-CH2 4.44Å; V195-W198 HydrophobicContact CG1-CZ3 3.96Å; V195-W198 HydrophobicContact CG2-CH2 3.87Å; V195-W198 HydrophobicContact CG2-CZ2 3.9Å; V195-W198 HydrophobicContact CG2-CZ3 4.24Å; V195-W198 WeakPolarHBondContact O-CB 3.3Å; V195-W198 PolarHBondContact O-N 3.46Å; W198-T202 WeakPolarHBondContact CA-OG1 3.34Å; W198-T202 HydrophobicContact CB-CG2 4.16Å; W198-T202 HydrophobicContact CD2-CG2 4.35Å; W198-T202 HydrophobicContact CG-CG2 3.87Å; W198-I217 HydrophobicContact CH2-CD1 3.99Å; W198-I217 HydrophobicContact CZ3-CD1 3.97Å; W198-I217 HydrophobicContact CZ3-CG2 4.12Å; W198-R220 HydrophobicContact CE3-CB 4.15Å; W198-R220 HydrophobicContact CZ3-CB 4.33Å; W198-R220 HydrophobicContact CZ3-CG 4.24Å; W198-F221 HydrophobicContact CB-CE1 3.69Å; W198-F221 HydrophobicContact CB-CZ 3.86Å; W198-F221 HydrophobicContact CD2-CZ 4.34Å; W198-F221 HydrophobicContact CE3-CE2 4.06Å; W198-F221 AromaticContact CE3-CZ 3.9Å; W198-F221 HydrophobicContact CE3-CZ 3.9Å; W198-F221 HydrophobicContact CG-CZ 4.4Å
199D95.9Very high95.2Very high61 Ų6156.7 Ų56.733%0.32632%0.316SS..  trans-143.7-163.7-174.476-16.4000112Q201 T202 L203 F221D199-Q201 VanDerWaalsContact C-N 3.33Å; D199-Q201 PolarHBondContact O-N 3.09Å; D199-Q201 WeakPolarHBondContact OD1-CA 3.49Å; D199-Q201 WeakPolarHBondContact OD1-CB 3.47Å; D199-Q201 PolarHBondContact OD1-N 3.39Å; D199-T202 PolarHBondContact N-OG1 3.21Å; D199-T202 WeakPolarHBondContact O-CB 3.31Å; D199-T202 PolarHBondContact O-N 3.26Å; D199-T202 PolarHBondContact OD1-N 3.41Å; D199-T202 PolarHBondContact OD1-OG1 2.85Å; D199-T202 VanDerWaalsContact OD1-OG1 3.11Å; D199-L203 PolarHBondContact O-N 2.94Å; D199-F221 WeakPolarHBondContact O-CE1 3.45Å
200Q96.3Very high95.5Very high44 Ų4448.4 Ų48.421%0.20628%0.28CS..Hα-helixtrans-63.8-37.6176.3-177.8-172.2-8.400112.5T202 L203 Q204 T225 F229Q200-T202 PolarHBondContact O-N 2.58Å; Q200-L203 PolarHBondContact O-N 3.24Å; Q200-Q204 HydrophobicContact CG-CG 4.44Å; Q200-Q204 VanDerWaalsContact NE2-NE2 3.2Å; Q200-Q204 WeakPolarHBondContact O-CG 3.33Å; Q200-Q204 PolarHBondContact O-N 3.19Å; Q200-T225 HydrophobicContact CB-CG2 4.18Å; Q200-F229 HydrophobicContact CG-CB 4.41Å
201Q96.4Very high95.6Very high143 Ų14348.6 Ų48.667%0.66828%0.28SS*.Hα-helixtrans-64.8-34.7180-63.1-175.6-13.600110.7D199 Q204 G205D199-Q201 VanDerWaalsContact C-N 3.33Å; D199-Q201 PolarHBondContact O-N 3.09Å; D199-Q201 WeakPolarHBondContact OD1-CA 3.49Å; D199-Q201 WeakPolarHBondContact OD1-CB 3.47Å; D199-Q201 PolarHBondContact OD1-N 3.39Å; Q201-Q204 PolarHBondContact O-N 2.88Å; Q201-G205 PolarHBondContact O-N 3.33Å
202T97.1Very high95.7Very high14 Ų1443.7 Ų43.79%0.08626%0.256CS..Hα-helixtrans-57.8-51172.5-53.90000111.3Y192 W198 D199 Q200 Q204 G205 L206 F221Y192-T202 HydrophobicContact CD1-CG2 4.23Å; Y192-T202 HydrophobicContact CG-CG2 4.4Å; W198-T202 WeakPolarHBondContact CA-OG1 3.34Å; W198-T202 HydrophobicContact CB-CG2 4.16Å; W198-T202 HydrophobicContact CD2-CG2 4.35Å; W198-T202 HydrophobicContact CG-CG2 3.87Å; D199-T202 PolarHBondContact N-OG1 3.21Å; D199-T202 WeakPolarHBondContact O-CB 3.31Å; D199-T202 PolarHBondContact O-N 3.26Å; D199-T202 PolarHBondContact OD1-N 3.41Å; D199-T202 PolarHBondContact OD1-OG1 2.85Å; D199-T202 VanDerWaalsContact OD1-OG1 3.11Å; Q200-T202 PolarHBondContact O-N 2.58Å; T202-Q204 VanDerWaalsContact C-N 3.32Å; T202-Q204 PolarHBondContact O-N 3.21Å; T202-G205 PolarHBondContact O-N 3.31Å; T202-L206 WeakPolarHBondContact O-CG 3.46Å; T202-L206 PolarHBondContact O-N 2.03Å; T202-L206 VanDerWaalsContact O-N 3.09Å; T202-F221 HydrophobicContact CG2-CZ 4.46Å
203L97.4Very high95.8Very high0 Ų042.7 Ų42.70%025%0.252CS..Hα-helixtrans-62.3-38.1177.6-71.1171.1000112.6D199 Q200 L206 P210 L213 W218 F221 T225 F229D199-L203 PolarHBondContact O-N 2.94Å; Q200-L203 PolarHBondContact O-N 3.24Å; L203-L206 PolarHBondContact O-N 3.48Å; L203-P210 HydrophobicContact CD2-CG 4.44Å; L203-L213 HydrophobicContact CD2-CD1 4.37Å; L203-W218 HydrophobicContact CD1-CZ3 4.06Å; L203-W218 HydrophobicContact CD2-CH2 4.2Å; L203-W218 HydrophobicContact CD2-CZ3 3.94Å; L203-F221 HydrophobicContact CD1-CD1 3.94Å; L203-F221 HydrophobicContact CD1-CD2 4.47Å; L203-F221 HydrophobicContact CD1-CE1 4Å; L203-F221 HydrophobicContact CD1-CG 4.17Å; L203-F221 HydrophobicContact CD1-CZ 4.31Å; L203-F221 HydrophobicContact CD2-CD2 4.29Å; L203-F221 HydrophobicContact CD2-CE1 4.23Å; L203-F221 HydrophobicContact CD2-CE2 3.75Å; L203-F221 HydrophobicContact CD2-CZ 3.71Å; L203-F221 HydrophobicContact CG-CD1 4.2Å; L203-F221 HydrophobicContact CG-CE1 3.73Å; L203-F221 HydrophobicContact CG-CE2 4.18Å; L203-F221 HydrophobicContact CG-CZ 3.72Å; L203-T225 HydrophobicContact CD1-CG2 4.45Å; L203-F229 HydrophobicContact CB-CD1 4.15Å; L203-F229 HydrophobicContact CB-CD2 3.52Å; L203-F229 HydrophobicContact CB-CE1 4.23Å; L203-F229 HydrophobicContact CB-CE2 3.62Å; L203-F229 HydrophobicContact CB-CG 3.8Å; L203-F229 HydrophobicContact CB-CZ 3.97Å; L203-F229 HydrophobicContact CD1-CB 3.9Å; L203-F229 HydrophobicContact CD1-CD1 3.88Å; L203-F229 HydrophobicContact CD1-CD2 4.37Å; L203-F229 HydrophobicContact CD1-CG 3.78Å; L203-F229 HydrophobicContact CG-CD1 4.5Å; L203-F229 HydrophobicContact CG-CG 4.4Å
204Q96.3Very high95.8Very high107 Ų10743.5 Ų43.550%0.525%0.252SS..Hα-helixtrans-66.1-42175.1-71.2172.8-27.900111.9Q200 Q201 T202 L206 G207 F229Q200-Q204 HydrophobicContact CG-CG 4.44Å; Q200-Q204 VanDerWaalsContact NE2-NE2 3.2Å; Q200-Q204 WeakPolarHBondContact O-CG 3.33Å; Q200-Q204 PolarHBondContact O-N 3.19Å; Q201-Q204 PolarHBondContact O-N 2.88Å; T202-Q204 VanDerWaalsContact C-N 3.32Å; T202-Q204 PolarHBondContact O-N 3.21Å; Q204-L206 VanDerWaalsContact C-N 3.27Å; Q204-L206 PolarHBondContact O-N 2.84Å; Q204-G207 PolarHBondContact O-N 3.43Å; Q204-G207 VanDerWaalsContact O-N 3.15Å; Q204-F229 HydrophobicContact CG-CD2 4.14Å; Q204-F229 HydrophobicContact CG-CE2 4.26Å
205G96.3Very high95.7Very high33 Ų3345.9 Ų45.934%0.3425%0.251SS..Hα-helixtrans-62.2-34.117800000112.6K168 Y192 Q201 T202 G207K168-G205 WeakPolarHBondContact CE-O 3.46Å; K168-G205 PolarHBondContact NZ-O 3.37Å; Y192-G205 PolarHBondContact OH-O 3.42Å; Q201-G205 PolarHBondContact O-N 3.33Å; T202-G205 PolarHBondContact O-N 3.31Å; G205-G207 PolarHBondContact O-N 3.19Å; G205-G207 VanDerWaalsContact O-N 3.17Å
206L96.3Very high95.7Very high4 Ų446.9 Ų46.92%0.02126%0.255CS..THydrogen-bonded Turntrans-66.2-11.7176.8-70.1170000114.1L185 Y192 T202 L203 Q204 T208 L209 P210 L213L185-L206 HydrophobicContact CD1-CD2 4.26Å; L185-L206 HydrophobicContact CD2-CD2 3.59Å; Y192-L206 HydrophobicContact CD1-CD2 4.46Å; Y192-L206 HydrophobicContact CD2-CD2 3.89Å; Y192-L206 HydrophobicContact CE1-CD2 4.11Å; Y192-L206 HydrophobicContact CE1-CG 4.24Å; Y192-L206 HydrophobicContact CE2-CD2 3.52Å; Y192-L206 HydrophobicContact CE2-CG 4.49Å; Y192-L206 HydrophobicContact CG-CD2 4.36Å; T202-L206 WeakPolarHBondContact O-CG 3.46Å; T202-L206 PolarHBondContact O-N 2.03Å; T202-L206 VanDerWaalsContact O-N 3.09Å; L203-L206 PolarHBondContact O-N 3.48Å; Q204-L206 VanDerWaalsContact C-N 3.27Å; Q204-L206 PolarHBondContact O-N 2.84Å; L206-T208 PolarHBondContact O-N 3.02Å; L206-L209 HydrophobicContact CB-CB 4.38Å; L206-L209 HydrophobicContact CD2-CD1 4.33Å; L206-L209 WeakPolarHBondContact O-CB 3.45Å; L206-L209 WeakPolarHBondContact O-CG 3.33Å; L206-L209 PolarHBondContact O-N 2.74Å; L206-P210 HydrophobicContact CB-CG 3.91Å; L206-L213 HydrophobicContact CD1-CD1 4.37Å
207G94.7Very high95.7Very high34 Ų3439.7 Ų39.735%0.35122%0.217SC..THydrogen-bonded Turntrans64.6-119.1175.700000112.3Q204 G205 P210 F233Q204-G207 PolarHBondContact O-N 3.43Å; Q204-G207 VanDerWaalsContact O-N 3.15Å; G205-G207 PolarHBondContact O-N 3.19Å; G205-G207 VanDerWaalsContact O-N 3.17Å; G207-P210 WeakPolarHBondContact O-CD 3.3Å; G207-F233 WeakPolarHBondContact O-CE2 3.31Å
208T93Very high95.7Very high46 Ų4636.2 Ų36.228%0.28219%0.193SC..THydrogen-bonded Turntrans-83.4-17.2-178.649.90000113.7K168 L206 P210 L211K168-T208 PolarHBondContact O-OG1 2.75Å; K168-T208 VanDerWaalsContact O-OG1 3.06Å; L206-T208 PolarHBondContact O-N 3.02Å; T208-P210 VanDerWaalsContact C-N 3.31Å; T208-L211 VanDerWaalsContact O-CB 3.24Å; T208-L211 WeakPolarHBondContact O-CB 3.2Å; T208-L211 PolarHBondContact O-N 2.65Å
209L95.9Very high95.5Very high0 Ų039.3 Ų39.30%021%0.214CC..G310 helixtrans-57-32-176.9-59.1179.2000114.8L167 K168 L173 M181 L206 L211 Y212 L213L167-L209 HydrophobicContact CB-CD2 4.24Å; K168-L209 HydrophobicContact CG-CD1 3.93Å; K168-L209 HydrophobicContact CG-CD2 4.41Å; K168-L209 HydrophobicContact CG-CG 3.9Å; L173-L209 HydrophobicContact CD1-CD2 4.04Å; M181-L209 HydrophobicContact SD-CB 3.92Å; M181-L209 HydrophobicContact SD-CD1 3.84Å; M181-L209 HydrophobicContact SD-CD2 3.73Å; M181-L209 HydrophobicContact SD-CG 4.02Å; L206-L209 HydrophobicContact CB-CB 4.38Å; L206-L209 HydrophobicContact CD2-CD1 4.33Å; L206-L209 WeakPolarHBondContact O-CB 3.45Å; L206-L209 WeakPolarHBondContact O-CG 3.33Å; L206-L209 PolarHBondContact O-N 2.74Å; L209-L211 PolarHBondContact O-N 3.34Å; L209-Y212 PolarHBondContact O-N 3.07Å; L209-L213 PolarHBondContact O-N 3.03Å
210P96.7Very high95.5Very high0 Ų042.6 Ų42.60%022%0.222CC..G310 helixtrans-53.8-22.7173.7-27.938.2000115L203 L206 G207 T208 Y212 L213 W218 F229 F233L203-P210 HydrophobicContact CD2-CG 4.44Å; L206-P210 HydrophobicContact CB-CG 3.91Å; G207-P210 WeakPolarHBondContact O-CD 3.3Å; T208-P210 VanDerWaalsContact C-N 3.31Å; P210-Y212 PolarHBondContact O-N 3.24Å; P210-L213 HydrophobicContact CB-CD1 4.07Å; P210-L213 HydrophobicContact CG-CD1 4.32Å; P210-L213 PolarHBondContact O-N 2.72Å; P210-W218 HydrophobicContact CB-CH2 4.09Å; P210-W218 HydrophobicContact CB-CZ2 4.11Å; P210-W218 WeakPolarHBondContact O-CZ2 3.28Å; P210-F229 HydrophobicContact CB-CE1 3.89Å; P210-F229 HydrophobicContact CB-CZ 3.91Å; P210-F229 HydrophobicContact CG-CE1 4.29Å; P210-F229 HydrophobicContact CG-CZ 3.86Å; P210-F233 HydrophobicContact CB-CE1 3.83Å; P210-F233 HydrophobicContact CB-CE2 4.37Å; P210-F233 HydrophobicContact CB-CZ 3.73Å; P210-F233 HydrophobicContact CG-CZ 4.37Å
211L95.8Very high95.4Very high13 Ų1341 Ų417%0.06821%0.214CC..G310 helixtrans-61-29.5173.4-177.661.2000113.3T208 L209 F233 L237 T242 K246 L247 L250T208-L211 VanDerWaalsContact O-CB 3.24Å; T208-L211 WeakPolarHBondContact O-CB 3.2Å; T208-L211 PolarHBondContact O-N 2.65Å; L209-L211 PolarHBondContact O-N 3.34Å; L211-F233 HydrophobicContact CB-CZ 4.32Å; L211-L237 HydrophobicContact CD1-CD1 3.92Å; L211-L237 HydrophobicContact CD1-CD2 4.42Å; L211-L237 HydrophobicContact CD2-CD2 4.33Å; L211-T242 HydrophobicContact CD1-CG2 4.1Å; L211-T242 HydrophobicContact CD2-CG2 3.73Å; L211-K246 HydrophobicContact CD1-CB 3.97Å; L211-K246 HydrophobicContact CD2-CB 4.17Å; L211-K246 HydrophobicContact CD2-CD 3.91Å; L211-K246 HydrophobicContact CG-CB 4.21Å; L211-L247 HydrophobicContact CD1-CD2 4.43Å; L211-L250 HydrophobicContact CD1-CB 4.31Å; L211-L250 HydrophobicContact CD1-CD2 4.16Å
212Y96.4Very high95.2Very high35 Ų3538.2 Ų38.214%0.13721%0.207CC..THydrogen-bonded Turntrans-104.2-7.9-174.8-55.9-79.3000113.6K171 D172 L173 V178 L209 P210 K246K171-Y212 PolarHBondContact O-OH 3.36Å; K171-Y212 VanDerWaalsContact O-OH 3.09Å; D172-Y212 WeakPolarHBondContact OD1-CE1 2.91Å; L173-Y212 HydrophobicContact CB-CD1 4.3Å; L173-Y212 HydrophobicContact CB-CE1 4.47Å; L173-Y212 HydrophobicContact CB-CG 4.45Å; L173-Y212 HydrophobicContact CD1-CD2 3.9Å; L173-Y212 HydrophobicContact CD1-CE2 4.3Å; L173-Y212 HydrophobicContact CD1-CG 4.17Å; L173-Y212 HydrophobicContact CG-CD2 4.47Å; L173-Y212 HydrophobicContact CG-CE2 4.48Å; V178-Y212 VanDerWaalsContact CG1-O 3.29Å; V178-Y212 WeakPolarHBondContact CG1-O 3.32Å; L209-Y212 PolarHBondContact O-N 3.07Å; P210-Y212 PolarHBondContact O-N 3.24Å; Y212-K246 HydrophobicContact CE1-CD 4.29Å; Y212-K246 PolarHBondContact OH-NZ 3.31Å
213L96.2Very high94.8Very high1 Ų140.7 Ų40.71%0.00523%0.229CC..  trans-64.7138.9-177.5-64.6177.4000110.9M181 E182 L185 L203 L206 L209 P210 I217 W218M181-L213 HydrophobicContact CE-CD2 3.65Å; E182-L213 HydrophobicContact CG-CD2 4.44Å; L185-L213 HydrophobicContact CD1-CD2 4.11Å; L203-L213 HydrophobicContact CD2-CD1 4.37Å; L206-L213 HydrophobicContact CD1-CD1 4.37Å; L209-L213 PolarHBondContact O-N 3.03Å; P210-L213 HydrophobicContact CB-CD1 4.07Å; P210-L213 HydrophobicContact CG-CD1 4.32Å; P210-L213 PolarHBondContact O-N 2.72Å; L213-I217 HydrophobicContact CB-CB 4.32Å; L213-I217 HydrophobicContact CD1-CB 4.4Å; L213-I217 HydrophobicContact CD1-CG2 3.75Å; L213-I217 HydrophobicContact CD2-CB 4.17Å; L213-I217 HydrophobicContact CD2-CG1 4.06Å; L213-I217 HydrophobicContact CD2-CG2 4.11Å; L213-I217 HydrophobicContact CG-CG2 4.35Å; L213-W218 HydrophobicContact CB-CZ2 4.48Å; L213-W218 VanDerWaalsContact O-CD1 3.28Å; L213-W218 PolarHBondContact O-NE1 3.44Å
214T95.8Very high94.6Very high42 Ų4245 Ų4526%0.25826%0.255SS..  trans-93.3175.4176.8750000111.1V178 E182 N216 I217 W218 E253V178-T214 HydrophobicContact CG1-CG2 4.13Å; E182-T214 VanDerWaalsContact CD-OG1 3.28Å; E182-T214 WeakPolarHBondContact OE1-CB 3.48Å; E182-T214 WeakPolarHBondContact OE1-CG2 3.21Å; E182-T214 PolarHBondContact OE1-N 2.93Å; E182-T214 PolarHBondContact OE1-OG1 3.16Å; E182-T214 PolarHBondContact OE2-OG1 3.19Å; E182-T214 VanDerWaalsContact OE2-OG1 3.07Å; T214-N216 PolarHBondContact O-N 3Å; T214-N216 WeakPolarHBondContact OG1-CB 3.34Å; T214-N216 PolarHBondContact OG1-N 3.26Å; T214-I217 PolarHBondContact O-N 3.41Å; T214-W218 VanDerWaalsContact O-CD1 3.28Å; T214-W218 PolarHBondContact O-N 2.67Å; T214-E253 VanDerWaalsContact CA-OE2 3.29Å; T214-E253 WeakPolarHBondContact CA-OE2 3.39Å
215R92.4Very high94.5Very high96 Ų9641 Ų4136%0.36224%0.238SC..Hα-helixtrans-49.2-30.7170.2-77.1169.3-175.3-158.63.3113.4I217 W218 T219 S252 E253R215-I217 PolarHBondContact O-N 3.02Å; R215-W218 PolarHBondContact O-N 3.15Å; R215-T219 WeakPolarHBondContact O-CB 3.39Å; R215-T219 WeakPolarHBondContact O-CG2 3.41Å; R215-T219 PolarHBondContact O-N 3.28Å; R215-T219 PolarHBondContact O-OG1 3.33Å; R215-S252 PolarHBondContact NE-O 2.96Å; R215-S252 PolarHBondContact NH2-O 3.33Å; R215-E253 WeakPolarHBondContact CG-O 3.48Å; R215-E253 WeakPolarHBondContact CG-OE2 3.46Å; R215-E253 PolarHBondContact N-OE2 2.93Å
216N93.9Very high94.5Very high63 Ų6340.7 Ų40.734%0.33723%0.228SC..Hα-helixtrans-57.7-36.9179-17932.8000112.5E182 L186 T214 R220E182-N216 WeakPolarHBondContact OE2-CB 3.45Å; E182-N216 PolarHBondContact OE2-ND2 2.86Å; L186-N216 WeakPolarHBondContact CD1-ND2 3.5Å; T214-N216 PolarHBondContact O-N 3Å; T214-N216 WeakPolarHBondContact OG1-CB 3.34Å; T214-N216 PolarHBondContact OG1-N 3.26Å; N216-R220 PolarHBondContact O-NE 3.45Å; N216-R220 VanDerWaalsContact O-NE 3.1Å
217I95.9Very high94.3Very high1 Ų144.8 Ų44.81%0.00525%0.245CC..Hα-helixtrans-93-43.5175.4-59.7-64.4000111.2E182 L185 L186 W198 L213 T214 R215 T219 R220 F221E182-I217 HydrophobicContact CB-CD1 4.21Å; E182-I217 HydrophobicContact CB-CG1 4.11Å; E182-I217 HydrophobicContact CG-CD1 4.25Å; E182-I217 HydrophobicContact CG-CG1 3.61Å; E182-I217 WeakPolarHBondContact OE1-CG1 3.32Å; L185-I217 HydrophobicContact CB-CD1 4.5Å; L186-I217 HydrophobicContact CD1-CD1 4.08Å; L186-I217 HydrophobicContact CD2-CD1 3.77Å; L186-I217 HydrophobicContact CG-CD1 3.69Å; W198-I217 HydrophobicContact CH2-CD1 3.99Å; W198-I217 HydrophobicContact CZ3-CD1 3.97Å; W198-I217 HydrophobicContact CZ3-CG2 4.12Å; L213-I217 HydrophobicContact CB-CB 4.32Å; L213-I217 HydrophobicContact CD1-CB 4.4Å; L213-I217 HydrophobicContact CD1-CG2 3.75Å; L213-I217 HydrophobicContact CD2-CB 4.17Å; L213-I217 HydrophobicContact CD2-CG1 4.06Å; L213-I217 HydrophobicContact CD2-CG2 4.11Å; L213-I217 HydrophobicContact CG-CG2 4.35Å; T214-I217 PolarHBondContact O-N 3.41Å; R215-I217 PolarHBondContact O-N 3.02Å; I217-T219 PolarHBondContact O-N 2.95Å; I217-R220 VanDerWaalsContact O-CB 3.3Å; I217-R220 WeakPolarHBondContact O-CB 3.42Å; I217-R220 WeakPolarHBondContact O-CG 3.1Å; I217-R220 PolarHBondContact O-N 2.7Å; I217-F221 HydrophobicContact CG2-CE2 3.94Å
218W94.7Very high94.3Very high1 Ų149.6 Ų49.60%0.00425%0.253CS..Hα-helixtrans-59.1-33.9-178.3-75.3119.3000112.5L203 P210 L213 T214 R215 R220 F221 K226 F229 L250 L254L203-W218 HydrophobicContact CD1-CZ3 4.06Å; L203-W218 HydrophobicContact CD2-CH2 4.2Å; L203-W218 HydrophobicContact CD2-CZ3 3.94Å; P210-W218 HydrophobicContact CB-CH2 4.09Å; P210-W218 HydrophobicContact CB-CZ2 4.11Å; P210-W218 WeakPolarHBondContact O-CZ2 3.28Å; L213-W218 HydrophobicContact CB-CZ2 4.48Å; L213-W218 VanDerWaalsContact O-CD1 3.28Å; L213-W218 PolarHBondContact O-NE1 3.44Å; T214-W218 VanDerWaalsContact O-CD1 3.28Å; T214-W218 PolarHBondContact O-N 2.67Å; R215-W218 PolarHBondContact O-N 3.15Å; W218-R220 PolarHBondContact O-N 3.37Å; W218-R220 VanDerWaalsContact O-N 3.16Å; W218-F221 PolarHBondContact O-N 3.03Å; W218-K226 HydrophobicContact CE3-CG 4.21Å; W218-K226 HydrophobicContact CZ3-CG 4.44Å; W218-K226 WeakPolarHBondContact O-CE 3.48Å; W218-K226 PolarHBondContact O-NZ 3.04Å; W218-F229 HydrophobicContact CH2-CD1 4.15Å; W218-F229 AromaticContact CH2-CE1 3.99Å; W218-F229 HydrophobicContact CH2-CE1 3.99Å; W218-F229 HydrophobicContact CZ3-CD1 4.47Å; W218-L250 HydrophobicContact CZ2-CD1 3.55Å; W218-L254 HydrophobicContact CD2-CD2 3.45Å; W218-L254 VanDerWaalsContact CD2-CD2 3.45Å; W218-L254 HydrophobicContact CD2-CG 4.28Å; W218-L254 HydrophobicContact CE3-CD2 3.55Å; W218-L254 HydrophobicContact CG-CD2 3.93Å; W218-L254 HydrophobicContact CH2-CD2 4.19Å; W218-L254 HydrophobicContact CZ2-CD2 4.11Å; W218-L254 HydrophobicContact CZ3-CD2 3.93Å
219T92.4Very high94.5Very high88 Ų8848 Ų4854%0.5424%0.242SC..THydrogen-bonded Turntrans-66.5-12.417754.30000114.4R215 I217 F221R215-T219 WeakPolarHBondContact O-CB 3.39Å; R215-T219 WeakPolarHBondContact O-CG2 3.41Å; R215-T219 PolarHBondContact O-N 3.28Å; R215-T219 PolarHBondContact O-OG1 3.33Å; I217-T219 PolarHBondContact O-N 2.95Å; T219-F221 VanDerWaalsContact C-N 3.34Å
220R94.8Very high94.4Very high129 Ų12948 Ų4849%0.48724%0.242SC..THydrogen-bonded Turntrans-80.2-14.5176.8-48.3-54.6172.8171.91.6113.5V195 W198 N216 I217 W218V195-R220 HydrophobicContact CG1-CB 4Å; V195-R220 HydrophobicContact CG1-CG 3.86Å; W198-R220 HydrophobicContact CE3-CB 4.15Å; W198-R220 HydrophobicContact CZ3-CB 4.33Å; W198-R220 HydrophobicContact CZ3-CG 4.24Å; N216-R220 PolarHBondContact O-NE 3.45Å; N216-R220 VanDerWaalsContact O-NE 3.1Å; I217-R220 VanDerWaalsContact O-CB 3.3Å; I217-R220 WeakPolarHBondContact O-CB 3.42Å; I217-R220 WeakPolarHBondContact O-CG 3.1Å; I217-R220 PolarHBondContact O-N 2.7Å; W218-R220 PolarHBondContact O-N 3.37Å; W218-R220 VanDerWaalsContact O-N 3.16Å
221F94.4Very high94.3Very high10 Ų1052.2 Ų52.24%0.04426%0.26CS..SBendtrans-104143179.7-63-85.3000111.9W198 D199 T202 L203 I217 W218 T219 T225 K226W198-F221 HydrophobicContact CB-CE1 3.69Å; W198-F221 HydrophobicContact CB-CZ 3.86Å; W198-F221 HydrophobicContact CD2-CZ 4.34Å; W198-F221 HydrophobicContact CE3-CE2 4.06Å; W198-F221 AromaticContact CE3-CZ 3.9Å; W198-F221 HydrophobicContact CE3-CZ 3.9Å; W198-F221 HydrophobicContact CG-CZ 4.4Å; D199-F221 WeakPolarHBondContact O-CE1 3.45Å; T202-F221 HydrophobicContact CG2-CZ 4.46Å; L203-F221 HydrophobicContact CD1-CD1 3.94Å; L203-F221 HydrophobicContact CD1-CD2 4.47Å; L203-F221 HydrophobicContact CD1-CE1 4Å; L203-F221 HydrophobicContact CD1-CG 4.17Å; L203-F221 HydrophobicContact CD1-CZ 4.31Å; L203-F221 HydrophobicContact CD2-CD2 4.29Å; L203-F221 HydrophobicContact CD2-CE1 4.23Å; L203-F221 HydrophobicContact CD2-CE2 3.75Å; L203-F221 HydrophobicContact CD2-CZ 3.71Å; L203-F221 HydrophobicContact CG-CD1 4.2Å; L203-F221 HydrophobicContact CG-CE1 3.73Å; L203-F221 HydrophobicContact CG-CE2 4.18Å; L203-F221 HydrophobicContact CG-CZ 3.72Å; I217-F221 HydrophobicContact CG2-CE2 3.94Å; W218-F221 PolarHBondContact O-N 3.03Å; T219-F221 VanDerWaalsContact C-N 3.34Å; F221-T225 HydrophobicContact CD1-CG2 3.95Å; F221-K226 HydrophobicContact CB-CG 4.01Å; F221-K226 WeakPolarHBondContact O-CE 3.04Å
222T92.7Very high94.3Very high85 Ų8553.3 Ų53.352%0.52128%0.275SS..  trans-66.8156.4173.276.30000111.5T224 T225 K226T222-T224 PolarHBondContact O-N 2.83Å; T222-T225 PolarHBondContact O-N 2.81Å; T222-T225 PolarHBondContact OG1-N 2.86Å; T222-T225 VanDerWaalsContact OG1-N 3.11Å; T222-T225 PolarHBondContact OG1-OG1 2.94Å; T222-K226 WeakPolarHBondContact O-CG 3.39Å; T222-K226 PolarHBondContact O-N 2.89Å
223A89.4Confident94.2Very high66 Ų6652.5 Ų52.555%0.54527%0.272SS..Hα-helixtrans-57.2-37.9175.100000112.4K226 K227A223-K226 PolarHBondContact O-N 3.21Å; A223-K227 WeakPolarHBondContact O-CB 3.47Å; A223-K227 PolarHBondContact O-N 3.36Å
224T92.4Very high94.1Very high90 Ų9052.4 Ų52.455%0.55227%0.272SS*.Hα-helixtrans-63.8-44.9176.8-53.60000111.7T222 K227 R228T222-T224 PolarHBondContact O-N 2.83Å; T224-K227 PolarHBondContact O-N 3.12Å; T224-R228 WeakPolarHBondContact O-CB 3.23Å; T224-R228 PolarHBondContact O-N 3.12Å
225T95.1Very high93.9Very high23 Ų2352.7 Ų52.714%0.14127%0.274CS..Hα-helixtrans-63.4-47.4177.7-54.70000111Q200 L203 F221 T222 R228 F229Q200-T225 HydrophobicContact CB-CG2 4.18Å; L203-T225 HydrophobicContact CD1-CG2 4.45Å; F221-T225 HydrophobicContact CD1-CG2 3.95Å; T222-T225 PolarHBondContact O-N 2.81Å; T222-T225 PolarHBondContact OG1-N 2.86Å; T222-T225 VanDerWaalsContact OG1-N 3.11Å; T222-T225 PolarHBondContact OG1-OG1 2.94Å; T225-R228 PolarHBondContact O-N 3.13Å; T225-F229 WeakPolarHBondContact O-CB 3.28Å; T225-F229 PolarHBondContact O-N 3.5Å
226K94.9Very high93.9Very high28 Ų2852.2 Ų52.212%0.12228%0.279CS..Hα-helixtrans-55.7-53.9175.5-68.8172.3-176.2175.20111.3W218 F221 T222 A223 R228 F229 L230 L254 F282W218-K226 HydrophobicContact CE3-CG 4.21Å; W218-K226 HydrophobicContact CZ3-CG 4.44Å; W218-K226 WeakPolarHBondContact O-CE 3.48Å; W218-K226 PolarHBondContact O-NZ 3.04Å; F221-K226 HydrophobicContact CB-CG 4.01Å; F221-K226 WeakPolarHBondContact O-CE 3.04Å; T222-K226 WeakPolarHBondContact O-CG 3.39Å; T222-K226 PolarHBondContact O-N 2.89Å; A223-K226 PolarHBondContact O-N 3.21Å; K226-R228 VanDerWaalsContact C-N 3.31Å; K226-R228 PolarHBondContact O-N 3.13Å; K226-F229 PolarHBondContact O-N 2.68Å; K226-L230 WeakPolarHBondContact O-CB 3.25Å; K226-L230 WeakPolarHBondContact O-CG 3.38Å; K226-L230 PolarHBondContact O-N 3.26Å; K226-L254 HydrophobicContact CD-CD2 4.34Å; K226-F282 HydrophobicContact CB-CE1 4.45Å; K226-F282 HydrophobicContact CB-CZ 3.92Å; K226-F282 HydrophobicContact CD-CZ 4.2Å
227K92.6Very high93.9Very high90 Ų9049.4 Ų49.439%0.39126%0.264SS..Hα-helixtrans-56.6-45.7-178.1-172171.7-176171.20111.6A223 T224 L230 K231 F282A223-K227 WeakPolarHBondContact O-CB 3.47Å; A223-K227 PolarHBondContact O-N 3.36Å; T224-K227 PolarHBondContact O-N 3.12Å; K227-L230 PolarHBondContact O-N 2.94Å; K227-K231 WeakPolarHBondContact O-CG 3.48Å; K227-K231 PolarHBondContact O-N 2.96Å; K227-F282 HydrophobicContact CB-CD1 4.11Å; K227-F282 HydrophobicContact CB-CE1 3.94Å; K227-F282 HydrophobicContact CG-CD1 4.26Å
228R94.9Very high93.5Very high135 Ų13552.1 Ų52.151%0.50927%0.274SS..Hα-helixtrans-65.7-40.8-179.4-166.4-173.1-69143.51.3112.5T224 T225 K226T224-R228 WeakPolarHBondContact O-CB 3.23Å; T224-R228 PolarHBondContact O-N 3.12Å; T225-R228 PolarHBondContact O-N 3.13Å; K226-R228 VanDerWaalsContact C-N 3.31Å; K226-R228 PolarHBondContact O-N 3.13Å
229F96.6Very high93.3Very high12 Ų1260.7 Ų60.75%0.05331%0.311CS..Hα-helixtrans-64.4-48.7174.9172.6-106.7000112Q200 L203 Q204 P210 W218 T225 K226 K231 G232 F233Q200-F229 HydrophobicContact CG-CB 4.41Å; L203-F229 HydrophobicContact CB-CD1 4.15Å; L203-F229 HydrophobicContact CB-CD2 3.52Å; L203-F229 HydrophobicContact CB-CE1 4.23Å; L203-F229 HydrophobicContact CB-CE2 3.62Å; L203-F229 HydrophobicContact CB-CG 3.8Å; L203-F229 HydrophobicContact CB-CZ 3.97Å; L203-F229 HydrophobicContact CD1-CB 3.9Å; L203-F229 HydrophobicContact CD1-CD1 3.88Å; L203-F229 HydrophobicContact CD1-CD2 4.37Å; L203-F229 HydrophobicContact CD1-CG 3.78Å; L203-F229 HydrophobicContact CG-CD1 4.5Å; L203-F229 HydrophobicContact CG-CG 4.4Å; Q204-F229 HydrophobicContact CG-CD2 4.14Å; Q204-F229 HydrophobicContact CG-CE2 4.26Å; P210-F229 HydrophobicContact CB-CE1 3.89Å; P210-F229 HydrophobicContact CB-CZ 3.91Å; P210-F229 HydrophobicContact CG-CE1 4.29Å; P210-F229 HydrophobicContact CG-CZ 3.86Å; W218-F229 HydrophobicContact CH2-CD1 4.15Å; W218-F229 AromaticContact CH2-CE1 3.99Å; W218-F229 HydrophobicContact CH2-CE1 3.99Å; W218-F229 HydrophobicContact CZ3-CD1 4.47Å; T225-F229 WeakPolarHBondContact O-CB 3.28Å; T225-F229 PolarHBondContact O-N 3.5Å; K226-F229 PolarHBondContact O-N 2.68Å; F229-K231 PolarHBondContact O-N 3.03Å; F229-K231 VanDerWaalsContact O-N 3.16Å; F229-G232 PolarHBondContact O-N 3.46Å; F229-G232 VanDerWaalsContact O-N 3.1Å; F229-F233 HydrophobicContact CD1-CB 4.08Å; F229-F233 HydrophobicContact CD1-CD1 4.45Å; F229-F233 HydrophobicContact CD1-CG 4.37Å; F229-F233 HydrophobicContact CE1-CB 3.6Å; F229-F233 AromaticContact CE1-CD1 3.48Å; F229-F233 HydrophobicContact CE1-CD1 3.48Å; F229-F233 VanDerWaalsContact CE1-CD1 3.48Å; F229-F233 HydrophobicContact CE1-CD2 4.05Å; F229-F233 HydrophobicContact CE1-CE1 4.1Å; F229-F233 AromaticContact CE1-CG 3.44Å; F229-F233 HydrophobicContact CE1-CG 3.44Å; F229-F233 VanDerWaalsContact CE1-CG 3.44Å; F229-F233 HydrophobicContact CE2-CB 4.09Å; F229-F233 HydrophobicContact CE2-CD2 4.24Å; F229-F233 HydrophobicContact CE2-CG 4.23Å; F229-F233 HydrophobicContact CZ-CB 3.61Å; F229-F233 AromaticContact CZ-CD1 3.82Å; F229-F233 HydrophobicContact CZ-CD1 3.82Å; F229-F233 AromaticContact CZ-CD2 3.48Å; F229-F233 HydrophobicContact CZ-CD2 3.48Å; F229-F233 VanDerWaalsContact CZ-CD2 3.48Å; F229-F233 HydrophobicContact CZ-CE1 4.32Å; F229-F233 HydrophobicContact CZ-CE2 4.04Å; F229-F233 AromaticContact CZ-CG 3.36Å; F229-F233 HydrophobicContact CZ-CG 3.36Å; F229-F233 HydrophobicContact CZ-CZ 4.43Å; F229-F233 PolarHBondContact O-N 3.44Å
230L95.4Very high93.1Very high1 Ų162.3 Ų62.31%0.00531%0.312CS..Hα-helixtrans-61.8-26.1-177.1-68.2171.3000113.2K226 K227 G232 F233 I234 L254 F282K226-L230 WeakPolarHBondContact O-CB 3.25Å; K226-L230 WeakPolarHBondContact O-CG 3.38Å; K226-L230 PolarHBondContact O-N 3.26Å; K227-L230 PolarHBondContact O-N 2.94Å; L230-G232 PolarHBondContact O-N 3.36Å; L230-F233 HydrophobicContact CD2-CD1 4.39Å; L230-F233 PolarHBondContact O-N 3.27Å; L230-I234 HydrophobicContact CB-CG1 4.09Å; L230-I234 HydrophobicContact CD2-CD1 3.95Å; L230-I234 HydrophobicContact CD2-CG1 3.86Å; L230-I234 WeakPolarHBondContact O-CB 3.37Å; L230-I234 WeakPolarHBondContact O-CG1 3.21Å; L230-I234 PolarHBondContact O-N 3.2Å; L230-L254 HydrophobicContact CD1-CD1 3.81Å; L230-L254 HydrophobicContact CD1-CD2 4.26Å; L230-L254 HydrophobicContact CD2-CD1 3.87Å; L230-L254 HydrophobicContact CG-CD1 4.5Å; L230-F282 HydrophobicContact CD1-CB 4.47Å; L230-F282 HydrophobicContact CD1-CD1 4.49Å; L230-F282 HydrophobicContact CD1-CD2 3.78Å; L230-F282 HydrophobicContact CD1-CE2 4.11Å; L230-F282 HydrophobicContact CD1-CG 3.99Å
231K94.1Very high92.8Very high87 Ų8764 Ų6438%0.37832%0.324SS..Hα-helixtrans-59.5-30.6175.4-78.4-176.8-179-144.50114K227 F229 P235 D277 P278K227-K231 WeakPolarHBondContact O-CG 3.48Å; K227-K231 PolarHBondContact O-N 2.96Å; F229-K231 PolarHBondContact O-N 3.03Å; F229-K231 VanDerWaalsContact O-N 3.16Å; K231-P235 WeakPolarHBondContact O-CD 3.28Å; K231-P235 WeakPolarHBondContact O-CG 3.44Å; K231-D277 WeakPolarHBondContact CE-OD1 3.46Å; K231-D277 WeakPolarHBondContact CE-OD2 3.28Å; K231-D277 IonicContact NZ-OD1 2.81Å; K231-D277 IonicContact NZ-OD2 3.8Å; K231-D277 PolarHBondContact NZ-OD2 3.25Å; K231-P278 WeakPolarHBondContact O-CB 3.47Å
232G94.6Very high92.6Very high36 Ų3664.6 Ų64.637%0.37133%0.328SS..Hα-helixtrans-96.2-43.8172.700000112.1F229 L230 I234 P235 D236F229-G232 PolarHBondContact O-N 3.46Å; F229-G232 VanDerWaalsContact O-N 3.1Å; L230-G232 PolarHBondContact O-N 3.36Å; G232-I234 PolarHBondContact O-N 3.08Å; G232-P235 WeakPolarHBondContact O-CD 3.35Å; G232-D236 PolarHBondContact O-N 2.84Å
233F95.6Very high92.3Very high18 Ų1866.5 Ų66.58%0.07933%0.331CS..Hα-helixtrans-64.6-43.7-171.9-170.6-119.7000113.7G207 P210 L211 F229 L230 D236 L237 L250G207-F233 WeakPolarHBondContact O-CE2 3.31Å; P210-F233 HydrophobicContact CB-CE1 3.83Å; P210-F233 HydrophobicContact CB-CE2 4.37Å; P210-F233 HydrophobicContact CB-CZ 3.73Å; P210-F233 HydrophobicContact CG-CZ 4.37Å; L211-F233 HydrophobicContact CB-CZ 4.32Å; F229-F233 HydrophobicContact CD1-CB 4.08Å; F229-F233 HydrophobicContact CD1-CD1 4.45Å; F229-F233 HydrophobicContact CD1-CG 4.37Å; F229-F233 HydrophobicContact CE1-CB 3.6Å; F229-F233 AromaticContact CE1-CD1 3.48Å; F229-F233 HydrophobicContact CE1-CD1 3.48Å; F229-F233 VanDerWaalsContact CE1-CD1 3.48Å; F229-F233 HydrophobicContact CE1-CD2 4.05Å; F229-F233 HydrophobicContact CE1-CE1 4.1Å; F229-F233 AromaticContact CE1-CG 3.44Å; F229-F233 HydrophobicContact CE1-CG 3.44Å; F229-F233 VanDerWaalsContact CE1-CG 3.44Å; F229-F233 HydrophobicContact CE2-CB 4.09Å; F229-F233 HydrophobicContact CE2-CD2 4.24Å; F229-F233 HydrophobicContact CE2-CG 4.23Å; F229-F233 HydrophobicContact CZ-CB 3.61Å; F229-F233 AromaticContact CZ-CD1 3.82Å; F229-F233 HydrophobicContact CZ-CD1 3.82Å; F229-F233 AromaticContact CZ-CD2 3.48Å; F229-F233 HydrophobicContact CZ-CD2 3.48Å; F229-F233 VanDerWaalsContact CZ-CD2 3.48Å; F229-F233 HydrophobicContact CZ-CE1 4.32Å; F229-F233 HydrophobicContact CZ-CE2 4.04Å; F229-F233 AromaticContact CZ-CG 3.36Å; F229-F233 HydrophobicContact CZ-CG 3.36Å; F229-F233 HydrophobicContact CZ-CZ 4.43Å; F229-F233 PolarHBondContact O-N 3.44Å; L230-F233 HydrophobicContact CD2-CD1 4.39Å; L230-F233 PolarHBondContact O-N 3.27Å; F233-D236 PolarHBondContact O-N 2.97Å; F233-L237 HydrophobicContact CD1-CD1 3.8Å; F233-L237 HydrophobicContact CD1-CG 4.39Å; F233-L237 HydrophobicContact CE1-CD1 3.47Å; F233-L237 VanDerWaalsContact CE1-CD1 3.47Å; F233-L237 HydrophobicContact CE1-CG 4.16Å; F233-L237 HydrophobicContact CE2-CD2 4.26Å; F233-L237 HydrophobicContact CE2-CG 4.33Å; F233-L237 HydrophobicContact CG-CD1 4.46Å; F233-L237 HydrophobicContact CZ-CD1 3.85Å; F233-L237 HydrophobicContact CZ-CD2 4.03Å; F233-L237 HydrophobicContact CZ-CG 4.11Å; F233-L237 WeakPolarHBondContact O-CG 3.49Å; F233-L237 PolarHBondContact O-N 2.93Å; F233-L250 HydrophobicContact CD1-CD2 4.47Å; F233-L250 HydrophobicContact CE1-CD2 4.1Å
234I92.8Very high92.1Very high0 Ų065.4 Ų65.40%031%0.314CS..Hα-helixtrans-66.5-47.7-177.5-63.5-63.1000112L230 G232 D236 L237 R238 L250 F251L230-I234 HydrophobicContact CB-CG1 4.09Å; L230-I234 HydrophobicContact CD2-CD1 3.95Å; L230-I234 HydrophobicContact CD2-CG1 3.86Å; L230-I234 WeakPolarHBondContact O-CB 3.37Å; L230-I234 WeakPolarHBondContact O-CG1 3.21Å; L230-I234 PolarHBondContact O-N 3.2Å; G232-I234 PolarHBondContact O-N 3.08Å; I234-D236 VanDerWaalsContact C-N 3.3Å; I234-D236 PolarHBondContact O-N 3.27Å; I234-L237 HydrophobicContact CD1-CD1 4.36Å; I234-L237 PolarHBondContact O-N 3.21Å; I234-R238 VanDerWaalsContact CG2-NH1 3.31Å; I234-R238 WeakPolarHBondContact O-CG 3.39Å; I234-R238 PolarHBondContact O-N 3.18Å; I234-L250 HydrophobicContact CD1-CD2 3.75Å; I234-F251 HydrophobicContact CD1-CE2 4.25Å; I234-F251 HydrophobicContact CD1-CZ 3.87Å; I234-F251 HydrophobicContact CG1-CZ 4.31Å; I234-F251 HydrophobicContact CG2-CZ 4.43Å
235P92.1Very high91.8Very high47 Ų4768.1 Ų68.131%0.30532%0.318SS..Hα-helixtrans-55.5-41.2171.7-29.136.2000114K231 G232 R238 K239 P278K231-P235 WeakPolarHBondContact O-CD 3.28Å; K231-P235 WeakPolarHBondContact O-CG 3.44Å; G232-P235 WeakPolarHBondContact O-CD 3.35Å; P235-R238 PolarHBondContact O-N 2.95Å; P235-K239 WeakPolarHBondContact O-CB 3.46Å; P235-K239 PolarHBondContact O-N 3.01Å; P235-P278 HydrophobicContact CG-CB 3.78Å
236D93.6Very high91.6Very high86 Ų8668.3 Ų68.346%0.4632%0.317SS..Hα-helixtrans-63.4-44.2178.3-73.2-24.4000111.5G232 F233 I234 R238 K239 Q240G232-D236 PolarHBondContact O-N 2.84Å; F233-D236 PolarHBondContact O-N 2.97Å; I234-D236 VanDerWaalsContact C-N 3.3Å; I234-D236 PolarHBondContact O-N 3.27Å; D236-R238 VanDerWaalsContact C-N 3.3Å; D236-R238 PolarHBondContact O-N 3.05Å; D236-K239 PolarHBondContact O-N 3.15Å; D236-Q240 WeakPolarHBondContact O-CB 3.35Å; D236-Q240 VanDerWaalsContact O-CG 3.26Å; D236-Q240 WeakPolarHBondContact O-CG 3.48Å; D236-Q240 PolarHBondContact O-N 2.72Å
237L92.2Very high91.4Very high4 Ų467.1 Ų67.12%0.02131%0.312CS..Hα-helixtrans-61-39.1175.2-69.8176.9000112.3L211 F233 I234 Q240 K241 T242 L247 L250L211-L237 HydrophobicContact CD1-CD1 3.92Å; L211-L237 HydrophobicContact CD1-CD2 4.42Å; L211-L237 HydrophobicContact CD2-CD2 4.33Å; F233-L237 HydrophobicContact CD1-CD1 3.8Å; F233-L237 HydrophobicContact CD1-CG 4.39Å; F233-L237 HydrophobicContact CE1-CD1 3.47Å; F233-L237 VanDerWaalsContact CE1-CD1 3.47Å; F233-L237 HydrophobicContact CE1-CG 4.16Å; F233-L237 HydrophobicContact CE2-CD2 4.26Å; F233-L237 HydrophobicContact CE2-CG 4.33Å; F233-L237 HydrophobicContact CG-CD1 4.46Å; F233-L237 HydrophobicContact CZ-CD1 3.85Å; F233-L237 HydrophobicContact CZ-CD2 4.03Å; F233-L237 HydrophobicContact CZ-CG 4.11Å; F233-L237 WeakPolarHBondContact O-CG 3.49Å; F233-L237 PolarHBondContact O-N 2.93Å; I234-L237 HydrophobicContact CD1-CD1 4.36Å; I234-L237 PolarHBondContact O-N 3.21Å; L237-Q240 PolarHBondContact O-N 3.16Å; L237-K241 PolarHBondContact O-N 3.01Å; L237-T242 WeakPolarHBondContact CA-OG1 3.1Å; L237-T242 HydrophobicContact CD2-CG2 4.46Å; L237-T242 VanDerWaalsContact O-CB 3.28Å; L237-T242 WeakPolarHBondContact O-CB 3.48Å; L237-T242 PolarHBondContact O-N 3.13Å; L237-T242 PolarHBondContact O-OG1 3.35Å; L237-L247 HydrophobicContact CB-CD2 3.96Å; L237-L247 HydrophobicContact CD1-CD2 3.76Å; L237-L250 HydrophobicContact CD1-CD2 3.87Å
238R87.9Confident91.2Very high58 Ų5866.1 Ų66.122%0.21931%0.307CS..Hα-helixtrans-67.9-42.3176.6-71.2177.9-178.6139.66.3111.6I234 P235 D236 Q240 K241 Q307 K308 D310I234-R238 VanDerWaalsContact CG2-NH1 3.31Å; I234-R238 WeakPolarHBondContact O-CG 3.39Å; I234-R238 PolarHBondContact O-N 3.18Å; P235-R238 PolarHBondContact O-N 2.95Å; D236-R238 VanDerWaalsContact C-N 3.3Å; D236-R238 PolarHBondContact O-N 3.05Å; R238-Q240 VanDerWaalsContact C-N 3.25Å; R238-Q240 PolarHBondContact O-N 3.45Å; R238-K241 WeakPolarHBondContact O-CA 3.21Å; R238-K241 PolarHBondContact O-N 2.61Å; R238-Q307 PolarHBondContact NE-O 3.19Å; R238-K308 VanDerWaalsContact NH2-C 3.35Å; R238-K308 VanDerWaalsContact NH2-CA 3.29Å; R238-K308 PolarHBondContact NH2-O 2.98Å; R238-D310 IonicContact NH2-OD2 3.84Å
239K90.5Very high90.9Very high181 Ų18163 Ų6379%0.78730%0.303SS*.Hα-helixtrans-61.5-35.5174.9-175.4179.1178.4-178.50111.9P235 D236 K241P235-K239 WeakPolarHBondContact O-CB 3.46Å; P235-K239 PolarHBondContact O-N 3.01Å; D236-K239 PolarHBondContact O-N 3.15Å; K239-K241 PolarHBondContact O-N 3.23Å
240Q88.8Confident90.7Very high122 Ų12262.4 Ų62.457%0.5730%0.301SS*.THydrogen-bonded Turntrans-76.61.1174.2-68.3173.116.300113.6D236 L237 R238 T242D236-Q240 WeakPolarHBondContact O-CB 3.35Å; D236-Q240 VanDerWaalsContact O-CG 3.26Å; D236-Q240 WeakPolarHBondContact O-CG 3.48Å; D236-Q240 PolarHBondContact O-N 2.72Å; L237-Q240 PolarHBondContact O-N 3.16Å; R238-Q240 VanDerWaalsContact C-N 3.25Å; R238-Q240 PolarHBondContact O-N 3.45Å; Q240-T242 PolarHBondContact O-N 3.1Å
241K87.5Confident90.3Very high166 Ų16663.5 Ų63.572%0.72231%0.306SS*.THydrogen-bonded Turntrans53.541.1-176.2-56.6-173.6177.6-1700112.4L237 R238 K239 Q243L237-K241 PolarHBondContact O-N 3.01Å; R238-K241 WeakPolarHBondContact O-CA 3.21Å; R238-K241 PolarHBondContact O-N 2.61Å; K239-K241 PolarHBondContact O-N 3.23Å; K241-Q243 PolarHBondContact O-N 3.13Å
242T89.9Confident89.9Confident22 Ų2261.9 Ų61.914%0.13531%0.305CS..  trans-54.2135.1177.2-59.80000110.3L211 L237 Q240 K244 K246 L247L211-T242 HydrophobicContact CD1-CG2 4.1Å; L211-T242 HydrophobicContact CD2-CG2 3.73Å; L237-T242 WeakPolarHBondContact CA-OG1 3.1Å; L237-T242 HydrophobicContact CD2-CG2 4.46Å; L237-T242 VanDerWaalsContact O-CB 3.28Å; L237-T242 WeakPolarHBondContact O-CB 3.48Å; L237-T242 PolarHBondContact O-N 3.13Å; L237-T242 PolarHBondContact O-OG1 3.35Å; Q240-T242 PolarHBondContact O-N 3.1Å; T242-K244 PolarHBondContact O-N 3.31Å; T242-K246 HydrophobicContact CG2-CB 4.12Å; T242-L247 HydrophobicContact CG2-CD2 4.09Å; T242-L247 HydrophobicContact CG2-CG 4.19Å
243Q87.6Confident89.7Confident125 Ų12562.5 Ų62.558%0.58430%0.299SS*.  trans-53130.5179.5-65.7178.27.900111.5K241 K245 K246 L247K241-Q243 PolarHBondContact O-N 3.13Å; Q243-K245 PolarHBondContact O-N 3.19Å; Q243-K246 HydrophobicContact CB-CG 4.26Å; Q243-K246 WeakPolarHBondContact O-CB 3.43Å; Q243-K246 PolarHBondContact O-N 3.23Å; Q243-L247 PolarHBondContact O-N 3.28Å
244K86Confident89.3Confident43 Ų4362.1 Ų62.119%0.18730%0.297CS..Hα-helixtrans-54.4-38.4-177.7-67.4-73177.7161.70113.4T242 K246 L247 K248 D310 S340 E368T242-K244 PolarHBondContact O-N 3.31Å; K244-K246 VanDerWaalsContact C-N 3.29Å; K244-K246 PolarHBondContact O-N 2.75Å; K244-L247 HydrophobicContact CD-CD1 4.47Å; K244-L247 PolarHBondContact O-N 2.98Å; K244-K248 WeakPolarHBondContact O-CB 3.37Å; K244-K248 PolarHBondContact O-N 3.35Å; K244-D310 WeakPolarHBondContact CD-OD1 3.44Å; K244-D310 WeakPolarHBondContact CE-OD1 3.16Å; K244-D310 IonicContact NZ-OD1 2.79Å; K244-D310 PolarHBondContact NZ-OD1 2.93Å; K244-S340 PolarHBondContact NZ-OG 3.35Å; K244-E368 WeakPolarHBondContact CG-O 3.22Å
245K86.1Confident88.6Confident146 Ų14663.8 Ų63.864%0.63531%0.311SS*.Hα-helixtrans-56.7-40.2174.8-172.6179.8178.7-1760112.5Q243 K248 T249Q243-K245 PolarHBondContact O-N 3.19Å; K245-K248 PolarHBondContact O-N 3.03Å; K245-T249 PolarHBondContact O-N 3.05Å; K245-T249 PolarHBondContact O-OG1 3.1Å
246K90.3Very high87.5Confident28 Ų2865.8 Ų65.812%0.12232%0.324CS..Hα-helixtrans-70-41178.3-62.6-172.7175.6-166.20111.5K171 D172 L211 Y212 T242 Q243 K244 K248 T249 L250K171-K246 PolarHBondContact O-NZ 2.83Å; D172-K246 VanDerWaalsContact CG-NZ 3.29Å; D172-K246 VanDerWaalsContact OD1-CE 3.23Å; D172-K246 WeakPolarHBondContact OD1-CE 3.47Å; D172-K246 IonicContact OD1-NZ 3.75Å; D172-K246 PolarHBondContact OD1-NZ 3.24Å; D172-K246 IonicContact OD2-NZ 3.92Å; L211-K246 HydrophobicContact CD1-CB 3.97Å; L211-K246 HydrophobicContact CD2-CB 4.17Å; L211-K246 HydrophobicContact CD2-CD 3.91Å; L211-K246 HydrophobicContact CG-CB 4.21Å; Y212-K246 HydrophobicContact CE1-CD 4.29Å; Y212-K246 PolarHBondContact OH-NZ 3.31Å; T242-K246 HydrophobicContact CG2-CB 4.12Å; Q243-K246 HydrophobicContact CB-CG 4.26Å; Q243-K246 WeakPolarHBondContact O-CB 3.43Å; Q243-K246 PolarHBondContact O-N 3.23Å; K244-K246 VanDerWaalsContact C-N 3.29Å; K244-K246 PolarHBondContact O-N 2.75Å; K246-K248 VanDerWaalsContact C-N 3.35Å; K246-T249 PolarHBondContact O-N 3.33Å; K246-L250 WeakPolarHBondContact O-CB 3.35Å; K246-L250 PolarHBondContact O-N 3.48Å
247L90.4Very high86Confident2 Ų267.2 Ų67.21%0.0134%0.336CS..Hα-helixtrans-61.1-44.2174.1-64.1179.2000111.4L211 L237 T242 Q243 K244 T249 L250 F251 D310L211-L247 HydrophobicContact CD1-CD2 4.43Å; L237-L247 HydrophobicContact CB-CD2 3.96Å; L237-L247 HydrophobicContact CD1-CD2 3.76Å; T242-L247 HydrophobicContact CG2-CD2 4.09Å; T242-L247 HydrophobicContact CG2-CG 4.19Å; Q243-L247 PolarHBondContact O-N 3.28Å; K244-L247 HydrophobicContact CD-CD1 4.47Å; K244-L247 PolarHBondContact O-N 2.98Å; L247-T249 PolarHBondContact O-N 3.13Å; L247-L250 WeakPolarHBondContact O-CB 3.29Å; L247-L250 PolarHBondContact O-N 2.74Å; L247-F251 WeakPolarHBondContact O-CD2 3.43Å; L247-F251 PolarHBondContact O-N 3.24Å; L247-D310 HydrophobicContact CB-CB 3.96Å
248K87.4Confident84.4Confident69 Ų6972.6 Ų72.630%0.337%0.369SS..Hα-helixtrans-57.8-47.9174.4177178.2174.6-176.90112.1K244 K245 K246 L250 F251 S252 D312K244-K248 WeakPolarHBondContact O-CB 3.37Å; K244-K248 PolarHBondContact O-N 3.35Å; K245-K248 PolarHBondContact O-N 3.03Å; K246-K248 VanDerWaalsContact C-N 3.35Å; K248-L250 PolarHBondContact O-N 2.88Å; K248-F251 PolarHBondContact O-N 3.19Å; K248-S252 WeakPolarHBondContact O-CB 3.48Å; K248-S252 PolarHBondContact O-N 2.92Å; K248-D312 WeakPolarHBondContact CD-OD1 3.39Å; K248-D312 WeakPolarHBondContact CE-OD1 3.46Å; K248-D312 IonicContact NZ-OD1 3.13Å; K248-D312 PolarHBondContact NZ-OD1 2.96Å; K248-D312 IonicContact NZ-OD2 2.72Å; K248-D312 PolarHBondContact NZ-OD2 3.31Å
249T89.5Confident82.9Confident70 Ų7072.4 Ų72.443%0.42938%0.379SS..Hα-helixtrans-58.3-48.5175.2-62.50000111K245 K246 L247 F251 S252 E253K245-T249 PolarHBondContact O-N 3.05Å; K245-T249 PolarHBondContact O-OG1 3.1Å; K246-T249 PolarHBondContact O-N 3.33Å; L247-T249 PolarHBondContact O-N 3.13Å; T249-F251 PolarHBondContact O-N 3.05Å; T249-S252 WeakPolarHBondContact O-CB 3.46Å; T249-S252 PolarHBondContact O-N 3.24Å; T249-S252 VanDerWaalsContact O-N 3.12Å; T249-E253 HydrophobicContact CG2-CG 4.35Å; T249-E253 WeakPolarHBondContact O-CG 3.41Å; T249-E253 PolarHBondContact O-N 2.83Å
250L91.8Very high81.3Confident0 Ų071.4 Ų71.40%038%0.375CS..Hα-helixtrans-54.2-48.8176.8170.662.5000112.3L211 W218 F233 I234 L237 K246 L247 K248 S252 E253 L254L211-L250 HydrophobicContact CD1-CB 4.31Å; L211-L250 HydrophobicContact CD1-CD2 4.16Å; W218-L250 HydrophobicContact CZ2-CD1 3.55Å; F233-L250 HydrophobicContact CD1-CD2 4.47Å; F233-L250 HydrophobicContact CE1-CD2 4.1Å; I234-L250 HydrophobicContact CD1-CD2 3.75Å; L237-L250 HydrophobicContact CD1-CD2 3.87Å; K246-L250 WeakPolarHBondContact O-CB 3.35Å; K246-L250 PolarHBondContact O-N 3.48Å; L247-L250 WeakPolarHBondContact O-CB 3.29Å; L247-L250 PolarHBondContact O-N 2.74Å; K248-L250 PolarHBondContact O-N 2.88Å; L250-S252 VanDerWaalsContact C-N 3.33Å; L250-S252 PolarHBondContact O-N 3.15Å; L250-E253 PolarHBondContact O-N 3.13Å; L250-L254 HydrophobicContact CD1-CD1 3.79Å; L250-L254 HydrophobicContact CD1-CG 4.18Å; L250-L254 HydrophobicContact CG-CD1 3.9Å; L250-L254 WeakPolarHBondContact O-CB 3.49Å; L250-L254 VanDerWaalsContact O-CG 3.31Å; L250-L254 WeakPolarHBondContact O-CG 3.46Å; L250-L254 PolarHBondContact O-N 2.94Å
251F86.9Confident79.5Confident24 Ų2477.4 Ų77.411%0.10539%0.393CS..Hα-helixtrans-65.9-35.1178.8-79.7-69.6000112.7I234 L247 K248 T249 L254 A255I234-F251 HydrophobicContact CD1-CE2 4.25Å; I234-F251 HydrophobicContact CD1-CZ 3.87Å; I234-F251 HydrophobicContact CG1-CZ 4.31Å; I234-F251 HydrophobicContact CG2-CZ 4.43Å; L247-F251 WeakPolarHBondContact O-CD2 3.43Å; L247-F251 PolarHBondContact O-N 3.24Å; K248-F251 PolarHBondContact O-N 3.19Å; T249-F251 PolarHBondContact O-N 3.05Å; F251-L254 HydrophobicContact CD1-CD1 4.48Å; F251-L254 PolarHBondContact O-N 3.41Å; F251-A255 PolarHBondContact O-N 3.19Å
252S86.3Confident78.2Confident53 Ų5371.2 Ų71.237%0.37138%0.375SS..Hα-helixtrans-64-39.2174-165.70000112.5R215 K248 T249 L250 L254 A255R215-S252 PolarHBondContact NE-O 2.96Å; R215-S252 PolarHBondContact NH2-O 3.33Å; K248-S252 WeakPolarHBondContact O-CB 3.48Å; K248-S252 PolarHBondContact O-N 2.92Å; T249-S252 WeakPolarHBondContact O-CB 3.46Å; T249-S252 PolarHBondContact O-N 3.24Å; T249-S252 VanDerWaalsContact O-N 3.12Å; L250-S252 VanDerWaalsContact C-N 3.33Å; L250-S252 PolarHBondContact O-N 3.15Å; S252-L254 VanDerWaalsContact C-N 3.33Å; S252-A255 PolarHBondContact O-N 2.78Å
253E89.8Confident76.9Confident49 Ų4975.9 Ų75.923%0.22942%0.416CS..Hα-helixtrans-72.9-25.2176.3-64.9-59.4148.300112.7T214 R215 T249 L250T214-E253 VanDerWaalsContact CA-OE2 3.29Å; T214-E253 WeakPolarHBondContact CA-OE2 3.39Å; R215-E253 WeakPolarHBondContact CG-O 3.48Å; R215-E253 WeakPolarHBondContact CG-OE2 3.46Å; R215-E253 PolarHBondContact N-OE2 2.93Å; T249-E253 HydrophobicContact CG2-CG 4.35Å; T249-E253 WeakPolarHBondContact O-CG 3.41Å; T249-E253 PolarHBondContact O-N 2.83Å; L250-E253 PolarHBondContact O-N 3.13Å
254L87.3Confident76.4Confident10 Ų1071.2 Ų71.25%0.05240%0.402CS..Hα-helixtrans-82.6-22.3175-75.1166.4000114W218 K226 L230 L250 F251 S252 F282W218-L254 HydrophobicContact CD2-CD2 3.45Å; W218-L254 VanDerWaalsContact CD2-CD2 3.45Å; W218-L254 HydrophobicContact CD2-CG 4.28Å; W218-L254 HydrophobicContact CE3-CD2 3.55Å; W218-L254 HydrophobicContact CG-CD2 3.93Å; W218-L254 HydrophobicContact CH2-CD2 4.19Å; W218-L254 HydrophobicContact CZ2-CD2 4.11Å; W218-L254 HydrophobicContact CZ3-CD2 3.93Å; K226-L254 HydrophobicContact CD-CD2 4.34Å; L230-L254 HydrophobicContact CD1-CD1 3.81Å; L230-L254 HydrophobicContact CD1-CD2 4.26Å; L230-L254 HydrophobicContact CD2-CD1 3.87Å; L230-L254 HydrophobicContact CG-CD1 4.5Å; L250-L254 HydrophobicContact CD1-CD1 3.79Å; L250-L254 HydrophobicContact CD1-CG 4.18Å; L250-L254 HydrophobicContact CG-CD1 3.9Å; L250-L254 WeakPolarHBondContact O-CB 3.49Å; L250-L254 VanDerWaalsContact O-CG 3.31Å; L250-L254 WeakPolarHBondContact O-CG 3.46Å; L250-L254 PolarHBondContact O-N 2.94Å; F251-L254 HydrophobicContact CD1-CD1 4.48Å; F251-L254 PolarHBondContact O-N 3.41Å; S252-L254 VanDerWaalsContact C-N 3.33Å; L254-F282 HydrophobicContact CB-CE2 4.41Å
255A78Confident76.5Confident35 Ų3571.1 Ų71.129%0.28941%0.406SS..SBendtrans-63.8139.2-173.600000112.5F251 S252F251-A255 PolarHBondContact O-N 3.19Å; S252-A255 PolarHBondContact O-N 2.78Å
256P69.8Low76.4Confident88 Ų8867.6 Ų67.657%0.57140%0.4SS*.  trans-68.3143.1178.827-32.9000112.3V258P256-V258 PolarHBondContact O-N 3.24Å
257T61.9Low76Confident116 Ų11671 Ų7171%0.71242%0.416SS*.SBendtrans-74.6-21.7-175.9-23.10000114.2
258V58.7Low75.9Confident118 Ų11872.6 Ų72.672%0.71543%0.434SS*.  trans-122.1112.6-174.7-175.90000109.4P256 K260P256-V258 PolarHBondContact O-N 3.24Å; V258-K260 PolarHBondContact O-N 3.03Å
259A55.9Low76.2Confident53 Ų5373.7 Ų73.744%0.43844%0.443SS..  trans-75.2118.2165.900000108.6R261A259-R261 PolarHBondContact O-N 3.44Å; A259-R261 VanDerWaalsContact O-N 3.15Å
260K56.7Low76.5Confident161 Ų16170.4 Ų70.470%0.742%0.423SS*.  trans-62.8115.9162.4-73.5-179.1179.4175.10107V258 G262V258-K260 PolarHBondContact O-N 3.03Å; K260-G262 PolarHBondContact O-N 3Å; K260-G262 VanDerWaalsContact O-N 3.12Å
261R52.1Low76.6Confident248 Ų24873.1 Ų73.194%0.93644%0.439SS*.  trans-73.1101.9174.4-66.5-176.4-169.6174.42.8107.9A259A259-R261 PolarHBondContact O-N 3.44Å; A259-R261 VanDerWaalsContact O-N 3.15Å
262G59.2Low76.9Confident35 Ų3578.1 Ų78.136%0.36146%0.463SS..  trans-119.7145.9168.200000109.5K260 G264K260-G262 PolarHBondContact O-N 3Å; K260-G262 VanDerWaalsContact O-N 3.12Å; G262-G264 PolarHBondContact O-N 3Å; G262-G264 VanDerWaalsContact O-N 3.13Å
263A63.2Low77.3Confident120 Ų12081.3 Ų81.399%0.99248%0.48SS*.SBendtrans-79.823.8-179.300000113.8
264G78.3Confident77.4Confident28 Ų2880.8 Ų80.829%0.28948%0.48SS..SBendtrans-175.9-176.7-176.500000113.6G262 S266 Q288G262-G264 PolarHBondContact O-N 3Å; G262-G264 VanDerWaalsContact O-N 3.13Å; G264-S266 PolarHBondContact O-N 3.1Å; G264-Q288 PolarHBondContact O-NE2 3.31Å
265C86.4Confident77.7Confident41 Ų4180.3 Ų80.328%0.27748%0.477SS..  trans-66.8113.3174.2178.30000110.4N269 L291 C292C265-N269 PolarHBondContact SG-OD1 3.22Å; C265-L291 HydrophobicContact CB-CB 4.45Å; C265-C292 WeakPolarHBondContact CA-SG 3.17Å; C265-C292 HydrophobicContact CB-CB 3.96Å; C265-C292 WeakPolarHBondContact CB-SG 3.45Å; C265-C292 VanDerWaalsContact SG-CA 3.52Å; C265-C292 WeakPolarHBondContact SG-CB 3.49Å; C265-C292 CovalentContact SG-SG 2.02Å; C265-C292 PolarHBondContact SG-SG 3.08Å
266S85.6Confident78.4Confident72 Ų7282.1 Ų82.150%0.50349%0.488SS..  trans-114.5-20.5-17763.30000113.5G264 G268 Q288G264-S266 PolarHBondContact O-N 3.1Å; S266-G268 VanDerWaalsContact C-N 3.26Å; S266-Q288 VanDerWaalsContact OG-CD 3.25Å; S266-Q288 PolarHBondContact OG-NE2 2.98Å; S266-Q288 PolarHBondContact OG-OE1 3.33Å
267E81.8Confident79.5Confident98 Ų9879.4 Ų79.446%0.45847%0.469SS..SBendtrans-85.21.1175.9-60.3-63158.900112.8Y284 Q288E267-Y284 HydrophobicContact CB-CD1 3.89Å; E267-Y284 HydrophobicContact CB-CE1 3.73Å; E267-Q288 HydrophobicContact CG-CB 4Å; E267-Q288 HydrophobicContact CG-CG 3.78Å
268G87.7Confident80.9Confident37 Ų3776.2 Ų76.238%0.38145%0.45SS..  trans88.5141-177.700000113S266 Y284S266-G268 VanDerWaalsContact C-N 3.26Å; G268-Y284 WeakPolarHBondContact O-CE1 3.38Å; G268-Y284 PolarHBondContact O-OH 3.16Å
269N93Very high82.4Confident92 Ų9270.7 Ų70.749%0.49242%0.416SS..  trans-56.9140.8-175-70.5-5.9000111.9C265 T271C265-N269 PolarHBondContact SG-OD1 3.22Å; N269-T271 PolarHBondContact O-N 2.61Å
270I95.5Very high84.1Confident1 Ų168.4 Ų68.41%0.00540%0.397CS..  trans-72.1127.7172.8-67.2165.6000107.3T274 V275 F280 Y284 F289 C292 L293 I297I270-T274 WeakPolarHBondContact CA-OG1 3.16Å; I270-V275 HydrophobicContact CG2-CG2 3.66Å; I270-F280 HydrophobicContact CD1-CE2 4.33Å; I270-F280 HydrophobicContact CG1-CE2 4.36Å; I270-F280 HydrophobicContact CG2-CE2 3.97Å; I270-F280 HydrophobicContact CG2-CZ 4.21Å; I270-Y284 HydrophobicContact CD1-CD1 4.25Å; I270-Y284 HydrophobicContact CD1-CE1 4.29Å; I270-Y284 HydrophobicContact CD1-CG 4.39Å; I270-Y284 HydrophobicContact CG1-CD1 4.29Å; I270-Y284 HydrophobicContact CG1-CD2 4.49Å; I270-Y284 HydrophobicContact CG1-CE1 3.84Å; I270-Y284 HydrophobicContact CG1-CE2 4.05Å; I270-F289 HydrophobicContact CD1-CD2 3.6Å; I270-F289 HydrophobicContact CD1-CE2 4Å; I270-F289 HydrophobicContact CD1-CG 4.22Å; I270-C292 WeakPolarHBondContact CB-O 3.27Å; I270-C292 HydrophobicContact CD1-CB 4.21Å; I270-C292 HydrophobicContact CG1-CB 4.08Å; I270-C292 PolarHBondContact N-O 3.37Å; I270-L293 HydrophobicContact CB-CD1 4.32Å; I270-L293 HydrophobicContact CD1-CB 3.88Å; I270-L293 HydrophobicContact CG2-CD1 3.97Å; I270-I297 HydrophobicContact CG2-CG2 4.44Å
271T95.3Very high85.7Confident56 Ų5661.1 Ų61.134%0.34437%0.366SS..  trans-131170-178.762.10000109.1N269 V273 T274 V275N269-T271 PolarHBondContact O-N 2.61Å; T271-V273 PolarHBondContact O-N 3.06Å; T271-V273 VanDerWaalsContact O-N 3.14Å; T271-V273 PolarHBondContact OG1-N 3.38Å; T271-T274 PolarHBondContact N-OG1 3.15Å; T271-T274 PolarHBondContact O-N 3.02Å; T271-T274 PolarHBondContact O-OG1 2.6Å; T271-T274 PolarHBondContact OG1-N 3.17Å; T271-V275 WeakPolarHBondContact O-CG2 3.19Å; T271-V275 PolarHBondContact O-N 3.35Å
272Q93.4Very high87.4Confident130 Ų13051.2 Ų51.261%0.60733%0.33SS*.Hα-helixtrans-53.2-35.6173.3-175.4179.114.500112.6S276 N301Q272-S276 VanDerWaalsContact O-CB 3.32Å; Q272-S276 WeakPolarHBondContact O-CB 3.39Å; Q272-S276 PolarHBondContact O-N 3.45Å; Q272-S276 PolarHBondContact O-OG 3Å; Q272-N301 WeakPolarHBondContact CG-OD1 3.11Å
273V93.4Very high88.6Confident119 Ų11951.7 Ų51.772%0.72134%0.335SS*.Hα-helixtrans-66.8-43.6177.7178.90000111.2T271 S276 D277T271-V273 PolarHBondContact O-N 3.06Å; T271-V273 VanDerWaalsContact O-N 3.14Å; T271-V273 PolarHBondContact OG1-N 3.38Å; V273-S276 PolarHBondContact O-N 3.34Å; V273-D277 PolarHBondContact O-N 2.97Å
274T92.9Very high89.7Confident38 Ų3847.2 Ų47.223%0.23329%0.292CS..Hα-helixtrans-70.2-38.7178.165.70000111.6I270 T271 S276 D277I270-T274 WeakPolarHBondContact CA-OG1 3.16Å; T271-T274 PolarHBondContact N-OG1 3.15Å; T271-T274 PolarHBondContact O-N 3.02Å; T271-T274 PolarHBondContact O-OG1 2.6Å; T271-T274 PolarHBondContact OG1-N 3.17Å; T274-S276 VanDerWaalsContact C-N 3.26Å; T274-S276 PolarHBondContact O-N 2.72Å; T274-D277 WeakPolarHBondContact O-CB 3.46Å; T274-D277 PolarHBondContact O-N 3.18Å
275V94.1Very high90.1Very high0 Ų047.1 Ų47.10%029%0.286CS..Hα-helixtrans-62-34.8173.4173.20000111.1I270 T271 D277 F280 N301 S304 I305 K308I270-V275 HydrophobicContact CG2-CG2 3.66Å; T271-V275 WeakPolarHBondContact O-CG2 3.19Å; T271-V275 PolarHBondContact O-N 3.35Å; V275-D277 VanDerWaalsContact C-N 3.3Å; V275-D277 PolarHBondContact O-N 3.34Å; V275-F280 HydrophobicContact CG2-CE2 4.27Å; V275-F280 HydrophobicContact CG2-CZ 4.1Å; V275-N301 HydrophobicContact CG1-CB 4.37Å; V275-S304 WeakPolarHBondContact CG1-OG 3.48Å; V275-I305 HydrophobicContact CB-CG1 4.48Å; V275-I305 HydrophobicContact CG1-CG1 3.8Å; V275-I305 HydrophobicContact CG2-CD1 4.02Å; V275-I305 HydrophobicContact CG2-CG1 3.75Å; V275-K308 WeakPolarHBondContact O-CD 2.95Å; V275-K308 WeakPolarHBondContact O-CE 3.46Å; V275-K308 PolarHBondContact O-NZ 3.45Å
276S92.7Very high90.1Very high73 Ų7349.5 Ų49.551%0.5129%0.293SS..Hα-helixtrans-70.1-23.3179.3-63.70000113.4Q272 V273 T274 K308Q272-S276 VanDerWaalsContact O-CB 3.32Å; Q272-S276 WeakPolarHBondContact O-CB 3.39Å; Q272-S276 PolarHBondContact O-N 3.45Å; Q272-S276 PolarHBondContact O-OG 3Å; V273-S276 PolarHBondContact O-N 3.34Å; T274-S276 VanDerWaalsContact C-N 3.26Å; T274-S276 PolarHBondContact O-N 2.72Å; S276-K308 VanDerWaalsContact C-NZ 3.32Å; S276-K308 PolarHBondContact O-NZ 3.06Å; S276-K308 VanDerWaalsContact O-NZ 3.07Å
277D92.5Very high90.3Very high32 Ų3249.6 Ų49.617%0.17129%0.287CS..SBendtrans-59.1128.4177.1-167.6-58.2000110.3K231 V273 T274 V275 S279 F280 K308K231-D277 WeakPolarHBondContact CE-OD1 3.46Å; K231-D277 WeakPolarHBondContact CE-OD2 3.28Å; K231-D277 IonicContact NZ-OD1 2.81Å; K231-D277 IonicContact NZ-OD2 3.8Å; K231-D277 PolarHBondContact NZ-OD2 3.25Å; V273-D277 PolarHBondContact O-N 2.97Å; T274-D277 WeakPolarHBondContact O-CB 3.46Å; T274-D277 PolarHBondContact O-N 3.18Å; V275-D277 VanDerWaalsContact C-N 3.3Å; V275-D277 PolarHBondContact O-N 3.34Å; D277-S279 PolarHBondContact O-N 2.76Å; D277-S279 WeakPolarHBondContact OD1-CB 3.29Å; D277-S279 PolarHBondContact OD1-N 2.86Å; D277-S279 PolarHBondContact OD1-OG 2.96Å; D277-F280 VanDerWaalsContact O-CB 3.29Å; D277-F280 WeakPolarHBondContact O-CB 3.26Å; D277-F280 PolarHBondContact O-N 2.58Å; D277-F280 VanDerWaalsContact O-N 3.15Å; D277-K308 PolarHBondContact O-NZ 3.24Å
278P91.7Very high90.6Very high48 Ų4845 Ų4531%0.31227%0.265SS..THydrogen-bonded Turntrans-62.4-23.4-178.8-25.234.6000114.5K231 P235K231-P278 WeakPolarHBondContact O-CB 3.47Å; P235-P278 HydrophobicContact CG-CB 3.78Å
279S89.5Confident90.9Very high2 Ų243.2 Ų43.21%0.01425%0.247CC..THydrogen-bonded Turntrans-84.1-7.1178.665.10000114D277 F282D277-S279 PolarHBondContact O-N 2.76Å; D277-S279 WeakPolarHBondContact OD1-CB 3.29Å; D277-S279 PolarHBondContact OD1-N 2.86Å; D277-S279 PolarHBondContact OD1-OG 2.96Å; S279-F282 WeakPolarHBondContact O-CB 3.15Å; S279-F282 PolarHBondContact O-N 2.7Å
280F90.9Very high90.9Very high5 Ų543.1 Ų43.12%0.02224%0.244CC..THydrogen-bonded Turntrans-54.6136.9175.9-179.4-91.8000111.2I270 V275 D277 F289 I305 K308 V309I270-F280 HydrophobicContact CD1-CE2 4.33Å; I270-F280 HydrophobicContact CG1-CE2 4.36Å; I270-F280 HydrophobicContact CG2-CE2 3.97Å; I270-F280 HydrophobicContact CG2-CZ 4.21Å; V275-F280 HydrophobicContact CG2-CE2 4.27Å; V275-F280 HydrophobicContact CG2-CZ 4.1Å; D277-F280 VanDerWaalsContact O-CB 3.29Å; D277-F280 WeakPolarHBondContact O-CB 3.26Å; D277-F280 PolarHBondContact O-N 2.58Å; D277-F280 VanDerWaalsContact O-N 3.15Å; F280-F289 HydrophobicContact CE1-CE2 4.2Å; F280-F289 HydrophobicContact CE2-CE2 4.34Å; F280-F289 HydrophobicContact CZ-CD2 4.43Å; F280-F289 AromaticContact CZ-CE2 3.6Å; F280-F289 HydrophobicContact CZ-CE2 3.6Å; F280-F289 HydrophobicContact CZ-CZ 4.45Å; F280-I305 HydrophobicContact CE1-CG1 4.42Å; F280-I305 HydrophobicContact CE1-CG2 4.42Å; F280-K308 HydrophobicContact CB-CD 4.17Å; F280-K308 HydrophobicContact CD1-CB 3.86Å; F280-K308 HydrophobicContact CD1-CD 4.07Å; F280-V309 HydrophobicContact CE1-CG2 4.07Å
281P90.7Very high90.8Very high8 Ų846.3 Ų46.35%0.05226%0.261CS..THydrogen-bonded Turncis-92.419.99.438.4-38.7000115.3G283 Y284 F289 K308 V309 Y314P281-G283 PolarHBondContact O-N 3.25Å; P281-Y284 PolarHBondContact O-N 2.85Å; P281-Y284 VanDerWaalsContact O-N 3.15Å; P281-F289 HydrophobicContact CB-CD2 4.26Å; P281-F289 HydrophobicContact CB-CE2 4.15Å; P281-K308 WeakPolarHBondContact CD-O 3.05Å; P281-V309 HydrophobicContact CG-CG2 4.22Å; P281-Y314 HydrophobicContact CB-CD1 4.49Å; P281-Y314 HydrophobicContact CB-CE1 4.41Å; P281-Y314 HydrophobicContact CG-CD1 4.48Å; P281-Y314 HydrophobicContact CG-CE1 4.47Å
282F88.1Confident90.7Very high40 Ų4043.7 Ų43.718%0.17524%0.244CC..THydrogen-bonded Turntrans-55.2126.5-178.9-175.7-98000112.1K226 K227 L230 L254 S279K226-F282 HydrophobicContact CB-CE1 4.45Å; K226-F282 HydrophobicContact CB-CZ 3.92Å; K226-F282 HydrophobicContact CD-CZ 4.2Å; K227-F282 HydrophobicContact CB-CD1 4.11Å; K227-F282 HydrophobicContact CB-CE1 3.94Å; K227-F282 HydrophobicContact CG-CD1 4.26Å; L230-F282 HydrophobicContact CD1-CB 4.47Å; L230-F282 HydrophobicContact CD1-CD1 4.49Å; L230-F282 HydrophobicContact CD1-CD2 3.78Å; L230-F282 HydrophobicContact CD1-CE2 4.11Å; L230-F282 HydrophobicContact CD1-CG 3.99Å; L254-F282 HydrophobicContact CB-CE2 4.41Å; S279-F282 WeakPolarHBondContact O-CB 3.15Å; S279-F282 PolarHBondContact O-N 2.7Å
283G84.1Confident90.9Very high46 Ų4637.5 Ų37.547%0.47422%0.215SC..THydrogen-bonded Turntrans114.1-23.7-174.700000113.3P281P281-G283 PolarHBondContact O-N 3.25Å
284Y86.8Confident91Very high25 Ų2535.4 Ų35.410%0.09820%0.2CC..  trans-103.8123.9174.3-62.2-88.2000109.6E267 G268 I270 P281 Q288 C292 Y314E267-Y284 HydrophobicContact CB-CD1 3.89Å; E267-Y284 HydrophobicContact CB-CE1 3.73Å; G268-Y284 WeakPolarHBondContact O-CE1 3.38Å; G268-Y284 PolarHBondContact O-OH 3.16Å; I270-Y284 HydrophobicContact CD1-CD1 4.25Å; I270-Y284 HydrophobicContact CD1-CE1 4.29Å; I270-Y284 HydrophobicContact CD1-CG 4.39Å; I270-Y284 HydrophobicContact CG1-CD1 4.29Å; I270-Y284 HydrophobicContact CG1-CD2 4.49Å; I270-Y284 HydrophobicContact CG1-CE1 3.84Å; I270-Y284 HydrophobicContact CG1-CE2 4.05Å; P281-Y284 PolarHBondContact O-N 2.85Å; P281-Y284 VanDerWaalsContact O-N 3.15Å; Y284-Q288 HydrophobicContact CD1-CB 4.29Å; Y284-C292 HydrophobicContact CD1-CB 4.26Å; Y284-C292 HydrophobicContact CE1-CB 3.92Å; Y284-Y314 WeakPolarHBondContact O-CE1 3.36Å; Y284-Y314 PolarHBondContact O-OH 2.88Å
285N85.4Confident91.1Very high27 Ų2735.3 Ų35.314%0.14420%0.2CC..  trans-75.3168.816166.841.7000109.8L287 Q288 F289 Y314N285-L287 VanDerWaalsContact C-N 3.32Å; N285-L287 PolarHBondContact O-N 3.26Å; N285-L287 PolarHBondContact OD1-N 2.61Å; N285-Q288 PolarHBondContact O-N 3.14Å; N285-Q288 VanDerWaalsContact O-N 3.15Å; N285-Q288 WeakPolarHBondContact OD1-CG 3.45Å; N285-Q288 PolarHBondContact OD1-N 2.89Å; N285-F289 WeakPolarHBondContact O-CB 3.39Å; N285-F289 PolarHBondContact O-N 3.33Å; N285-Y314 VanDerWaalsContact C-OH 3.31Å; N285-Y314 VanDerWaalsContact CA-OH 3.27Å; N285-Y314 WeakPolarHBondContact CA-OH 3.49Å
286Q87.9Confident91.2Very high91 Ų9139.4 Ų39.443%0.42523%0.226SC..Hα-helixtrans-53.8-45.4-176.7-71.7175.5-0.700112.9F289 E290 D311 Y314 I317Q286-F289 PolarHBondContact O-N 2.95Å; Q286-E290 PolarHBondContact O-N 3.24Å; Q286-D311 PolarHBondContact NE2-OD1 2.93Å; Q286-Y314 HydrophobicContact CB-CE2 4.49Å; Q286-Y314 HydrophobicContact CG-CD2 3.68Å; Q286-Y314 HydrophobicContact CG-CE2 3.4Å; Q286-Y314 HydrophobicContact CG-CG 4.36Å; Q286-Y314 PolarHBondContact N-OH 3.23Å; Q286-I317 HydrophobicContact CB-CD1 4.25Å; Q286-I317 VanDerWaalsContact O-CD1 3.27Å; Q286-I317 WeakPolarHBondContact O-CD1 3.21Å
287L88.3Confident91.4Very high73 Ų7338 Ų3838%0.38221%0.212SC..Hα-helixtrans-62.3-46.7178.2176.763.7000111.9N285 F289 E290 L291N285-L287 VanDerWaalsContact C-N 3.32Å; N285-L287 PolarHBondContact O-N 3.26Å; N285-L287 PolarHBondContact OD1-N 2.61Å; L287-F289 VanDerWaalsContact C-N 3.32Å; L287-F289 PolarHBondContact O-N 3.4Å; L287-E290 PolarHBondContact O-N 3.24Å; L287-L291 HydrophobicContact CD1-CD1 3.86Å; L287-L291 HydrophobicContact CD1-CG 4.22Å; L287-L291 HydrophobicContact CG-CD1 3.93Å; L287-L291 VanDerWaalsContact O-CG 3.3Å; L287-L291 WeakPolarHBondContact O-CG 3.33Å; L287-L291 PolarHBondContact O-N 2.79Å
288Q89.4Confident91.6Very high1 Ų136.6 Ų36.61%0.00521%0.205CC..Hα-helixtrans-67.7-35.1178.5-70.6-64.7-60.500111.5G264 S266 E267 Y284 N285 L291 C292G264-Q288 PolarHBondContact O-NE2 3.31Å; S266-Q288 VanDerWaalsContact OG-CD 3.25Å; S266-Q288 PolarHBondContact OG-NE2 2.98Å; S266-Q288 PolarHBondContact OG-OE1 3.33Å; E267-Q288 HydrophobicContact CG-CB 4Å; E267-Q288 HydrophobicContact CG-CG 3.78Å; Y284-Q288 HydrophobicContact CD1-CB 4.29Å; N285-Q288 PolarHBondContact O-N 3.14Å; N285-Q288 VanDerWaalsContact O-N 3.15Å; N285-Q288 WeakPolarHBondContact OD1-CG 3.45Å; N285-Q288 PolarHBondContact OD1-N 2.89Å; Q288-L291 PolarHBondContact O-N 2.93Å; Q288-C292 WeakPolarHBondContact O-CB 3.49Å; Q288-C292 PolarHBondContact O-N 3.06Å; Q288-C292 PolarHBondContact O-SG 2.95Å
289F92.7Very high91.8Very high0 Ų038.9 Ų38.90%021%0.21CC..Hα-helixtrans-62.7-42.9173.9-175.6-94.5000111.8I270 F280 P281 N285 Q286 L287 L293 I305 V309 Y314 I317 I318I270-F289 HydrophobicContact CD1-CD2 3.6Å; I270-F289 HydrophobicContact CD1-CE2 4Å; I270-F289 HydrophobicContact CD1-CG 4.22Å; F280-F289 HydrophobicContact CE1-CE2 4.2Å; F280-F289 HydrophobicContact CE2-CE2 4.34Å; F280-F289 HydrophobicContact CZ-CD2 4.43Å; F280-F289 AromaticContact CZ-CE2 3.6Å; F280-F289 HydrophobicContact CZ-CE2 3.6Å; F280-F289 HydrophobicContact CZ-CZ 4.45Å; P281-F289 HydrophobicContact CB-CD2 4.26Å; P281-F289 HydrophobicContact CB-CE2 4.15Å; N285-F289 WeakPolarHBondContact O-CB 3.39Å; N285-F289 PolarHBondContact O-N 3.33Å; Q286-F289 PolarHBondContact O-N 2.95Å; L287-F289 VanDerWaalsContact C-N 3.32Å; L287-F289 PolarHBondContact O-N 3.4Å; F289-L293 HydrophobicContact CD1-CD2 4.43Å; F289-L293 HydrophobicContact CE1-CD2 3.68Å; F289-L293 HydrophobicContact CZ-CD2 3.77Å; F289-L293 WeakPolarHBondContact O-CB 3.16Å; F289-L293 PolarHBondContact O-N 2.97Å; F289-L293 VanDerWaalsContact O-N 3.07Å; F289-I305 HydrophobicContact CZ-CG2 4.36Å; F289-V309 HydrophobicContact CE2-CG2 4.42Å; F289-V309 HydrophobicContact CZ-CG2 4.25Å; F289-Y314 HydrophobicContact CB-CD1 3.6Å; F289-Y314 HydrophobicContact CB-CE1 3.58Å; F289-Y314 AromaticContact CD1-CD1 3.62Å; F289-Y314 HydrophobicContact CD1-CD1 3.62Å; F289-Y314 HydrophobicContact CD1-CE1 4.47Å; F289-Y314 HydrophobicContact CD1-CG 4.36Å; F289-Y314 AromaticContact CD2-CD1 3.56Å; F289-Y314 HydrophobicContact CD2-CD1 3.56Å; F289-Y314 AromaticContact CD2-CE1 3.97Å; F289-Y314 HydrophobicContact CD2-CE1 3.97Å; F289-Y314 HydrophobicContact CE1-CD1 4.1Å; F289-Y314 HydrophobicContact CE2-CD1 4.02Å; F289-Y314 AromaticContact CG-CD1 3.32Å; F289-Y314 HydrophobicContact CG-CD1 3.32Å; F289-Y314 AromaticContact CG-CE1 3.8Å; F289-Y314 HydrophobicContact CG-CE1 3.8Å; F289-Y314 HydrophobicContact CG-CG 4.44Å; F289-Y314 HydrophobicContact CZ-CD1 4.29Å; F289-I317 HydrophobicContact CD1-CB 4.24Å; F289-I317 HydrophobicContact CD1-CD1 4.22Å; F289-I317 HydrophobicContact CD1-CG2 3.83Å; F289-I317 HydrophobicContact CE1-CB 4.39Å; F289-I317 HydrophobicContact CE1-CG2 4.05Å; F289-I318 HydrophobicContact CE1-CD1 4.43Å; F289-I318 HydrophobicContact CE1-CG1 3.98Å; F289-I318 HydrophobicContact CZ-CD1 4.22Å; F289-I318 HydrophobicContact CZ-CG1 4.12Å
290E93.9Very high92.1Very high90 Ų9044.9 Ų44.942%0.42124%0.242SC..Hα-helixtrans-62.4-46.3175.2-175.8173.9-169.700112.8Q286 L287 I317 K321Q286-E290 PolarHBondContact O-N 3.24Å; L287-E290 PolarHBondContact O-N 3.24Å; E290-I317 HydrophobicContact CB-CD1 3.84Å; E290-I317 HydrophobicContact CB-CG1 4.08Å; E290-I317 HydrophobicContact CB-CG2 3.91Å; E290-I317 HydrophobicContact CG-CG1 4.37Å; E290-I317 HydrophobicContact CG-CG2 4.1Å; E290-K321 WeakPolarHBondContact O-CE 3.44Å; E290-K321 PolarHBondContact O-NZ 3.04Å
291L92.9Very high92.3Very high69 Ų6945.7 Ų45.736%0.36125%0.246SC..Hα-helixtrans-73.5-29.4-177.6-66.9172.3000113.1C265 L287 Q288C265-L291 HydrophobicContact CB-CB 4.45Å; L287-L291 HydrophobicContact CD1-CD1 3.86Å; L287-L291 HydrophobicContact CD1-CG 4.22Å; L287-L291 HydrophobicContact CG-CD1 3.93Å; L287-L291 VanDerWaalsContact O-CG 3.3Å; L287-L291 WeakPolarHBondContact O-CG 3.33Å; L287-L291 PolarHBondContact O-N 2.79Å; Q288-L291 PolarHBondContact O-N 2.93Å
292C94.4Very high92.6Very high0 Ų045.5 Ų45.50%025%0.245CC..Hα-helixtrans-97.3-10.7-175.2-62.90000114.1C265 I270 Y284 Q288C265-C292 WeakPolarHBondContact CA-SG 3.17Å; C265-C292 HydrophobicContact CB-CB 3.96Å; C265-C292 WeakPolarHBondContact CB-SG 3.45Å; C265-C292 VanDerWaalsContact SG-CA 3.52Å; C265-C292 WeakPolarHBondContact SG-CB 3.49Å; C265-C292 CovalentContact SG-SG 2.02Å; C265-C292 PolarHBondContact SG-SG 3.08Å; I270-C292 WeakPolarHBondContact CB-O 3.27Å; I270-C292 HydrophobicContact CD1-CB 4.21Å; I270-C292 HydrophobicContact CG1-CB 4.08Å; I270-C292 PolarHBondContact N-O 3.37Å; Y284-C292 HydrophobicContact CD1-CB 4.26Å; Y284-C292 HydrophobicContact CE1-CB 3.92Å; Q288-C292 WeakPolarHBondContact O-CB 3.49Å; Q288-C292 PolarHBondContact O-N 3.06Å; Q288-C292 PolarHBondContact O-SG 2.95Å
293L96.2Very high92.9Very high0 Ų047.8 Ų47.80%026%0.256CS..  trans-95.6105.9178.3179.160.4000110.8I270 F289 I297 L298 I305 K321I270-L293 HydrophobicContact CB-CD1 4.32Å; I270-L293 HydrophobicContact CD1-CB 3.88Å; I270-L293 HydrophobicContact CG2-CD1 3.97Å; F289-L293 HydrophobicContact CD1-CD2 4.43Å; F289-L293 HydrophobicContact CE1-CD2 3.68Å; F289-L293 HydrophobicContact CZ-CD2 3.77Å; F289-L293 WeakPolarHBondContact O-CB 3.16Å; F289-L293 PolarHBondContact O-N 2.97Å; F289-L293 VanDerWaalsContact O-N 3.07Å; L293-I297 HydrophobicContact CD1-CG2 4.19Å; L293-L298 HydrophobicContact CD1-CB 4.2Å; L293-L298 HydrophobicContact CD2-CB 4.49Å; L293-L298 HydrophobicContact CD2-CD1 4.37Å; L293-L298 HydrophobicContact CG-CB 4.35Å; L293-I305 HydrophobicContact CD1-CD1 3.93Å; L293-K321 HydrophobicContact CB-CD 4.2Å; L293-K321 HydrophobicContact CD2-CD 3.97Å; L293-K321 HydrophobicContact CG-CD 3.92Å; L293-K321 VanDerWaalsContact O-CD 3.31Å; L293-K321 WeakPolarHBondContact O-CD 3.4Å; L293-K321 WeakPolarHBondContact O-CE 3.34Å; L293-K321 PolarHBondContact O-NZ 3.37Å
294D95.5Very high93.4Very high75 Ų7547.2 Ų47.240%0.40125%0.245SC..  trans-80.6150.7176-66.6-36.5000112.3I297 L298D294-I297 HydrophobicContact CB-CG1 4.24Å; D294-I297 PolarHBondContact O-N 3.08Å; D294-L298 PolarHBondContact O-N 2.94Å
295V96.4Very high93.9Very high37 Ų3746 Ų4622%0.22424%0.24CC..Hα-helixtrans-59-45.1-178.3172.60000113I297 L298 K299 K321 Q324 A325V295-I297 VanDerWaalsContact C-N 3.34Å; V295-I297 PolarHBondContact O-N 3.25Å; V295-L298 PolarHBondContact O-N 3.26Å; V295-K299 PolarHBondContact O-N 3.4Å; V295-K321 HydrophobicContact CG2-CB 4.33Å; V295-K321 HydrophobicContact CG2-CG 4.47Å; V295-Q324 HydrophobicContact CG2-CB 4.25Å; V295-A325 HydrophobicContact CG1-CB 3.59Å
296P96Very high94.3Very high85 Ų8544.8 Ų44.855%0.55223%0.233SC*.Hα-helixtrans-61.3-41.2175.5-24.635.8000112.8L298 K299 D300P296-L298 VanDerWaalsContact C-N 3.33Å; P296-L298 PolarHBondContact O-N 2.99Å; P296-K299 PolarHBondContact O-N 3.29Å; P296-D300 PolarHBondContact O-N 2.87Å
297I96.3Very high94.4Very high44 Ų4445 Ų4523%0.22623%0.234CC..Hα-helixtrans-62.8-42.4177.3-62.2-61.4000110.9I270 L293 D294 V295 N301I270-I297 HydrophobicContact CG2-CG2 4.44Å; L293-I297 HydrophobicContact CD1-CG2 4.19Å; D294-I297 HydrophobicContact CB-CG1 4.24Å; D294-I297 PolarHBondContact O-N 3.08Å; V295-I297 VanDerWaalsContact C-N 3.34Å; V295-I297 PolarHBondContact O-N 3.25Å; I297-N301 WeakPolarHBondContact O-CB 3.38Å; I297-N301 PolarHBondContact O-N 3.03Å; I297-N301 PolarHBondContact O-ND2 3.32Å
298L96.6Very high94.5Very high2 Ų242.8 Ų42.81%0.0122%0.222CC..Hα-helixtrans-58.9-48.4174.3173.962.5000110.9L293 D294 V295 P296 N301 L302 I305 I318 K321 L322L293-L298 HydrophobicContact CD1-CB 4.2Å; L293-L298 HydrophobicContact CD2-CB 4.49Å; L293-L298 HydrophobicContact CD2-CD1 4.37Å; L293-L298 HydrophobicContact CG-CB 4.35Å; D294-L298 PolarHBondContact O-N 2.94Å; V295-L298 PolarHBondContact O-N 3.26Å; P296-L298 VanDerWaalsContact C-N 3.33Å; P296-L298 PolarHBondContact O-N 2.99Å; L298-N301 CarbonylContact O-C 3.4Å; L298-N301 PolarHBondContact O-N 3.39Å; L298-L302 HydrophobicContact CD1-CD1 3.74Å; L298-L302 HydrophobicContact CG-CD1 4.23Å; L298-L302 WeakPolarHBondContact O-CA 3.45Å; L298-L302 WeakPolarHBondContact O-CB 3.23Å; L298-L302 PolarHBondContact O-N 3.38Å; L298-I305 HydrophobicContact CD1-CD1 3.94Å; L298-I305 HydrophobicContact CD1-CG2 4.33Å; L298-I318 HydrophobicContact CD1-CG2 3.92Å; L298-I318 HydrophobicContact CD2-CG2 4.37Å; L298-K321 HydrophobicContact CD2-CB 3.41Å; L298-K321 VanDerWaalsContact CD2-CB 3.41Å; L298-L322 HydrophobicContact CD2-CB 4.47Å
299K95.6Very high94.5Very high97 Ų9742.8 Ų42.842%0.42222%0.221SC..Hα-helixtrans-60.6-48.4-178.2-172.1176176.4176.40111.8V295 P296 N301 F326V295-K299 PolarHBondContact O-N 3.4Å; P296-K299 PolarHBondContact O-N 3.29Å; K299-N301 PolarHBondContact O-N 3.26Å; K299-F326 HydrophobicContact CD-CZ 4.22Å; K299-F326 HydrophobicContact CG-CZ 4.33Å
300D95.6Very high94.2Very high128 Ų12843 Ų4368%0.68422%0.223SC*.Hα-helixtrans-69.2-17.8-177.8-65.5-15.5000113.2P296P296-D300 PolarHBondContact O-N 2.87Å
301N96.4Very high93.9Very high21 Ų2139.8 Ų39.811%0.11221%0.208CC..THydrogen-bonded Turntrans-128.319.2-174.4-59.1-91.7000113.3Q272 V275 I297 L298 K299 H303 S304 I305Q272-N301 WeakPolarHBondContact CG-OD1 3.11Å; V275-N301 HydrophobicContact CG1-CB 4.37Å; I297-N301 WeakPolarHBondContact O-CB 3.38Å; I297-N301 PolarHBondContact O-N 3.03Å; I297-N301 PolarHBondContact O-ND2 3.32Å; L298-N301 CarbonylContact O-C 3.4Å; L298-N301 PolarHBondContact O-N 3.39Å; K299-N301 PolarHBondContact O-N 3.26Å; N301-H303 PolarHBondContact O-N 3.42Å; N301-S304 PolarHBondContact O-N 3.35Å; N301-S304 VanDerWaalsContact O-N 3.08Å; N301-I305 HydrophobicContact CB-CD1 4.01Å; N301-I305 HydrophobicContact CB-CG1 4.27Å; N301-I305 WeakPolarHBondContact O-CG1 3.43Å; N301-I305 PolarHBondContact O-N 3.22Å
302L96.5Very high93.6Very high5 Ų538.8 Ų38.83%0.02620%0.203CC..Hα-helixtrans-52.8-53.1-168.3-179.462.9000111.5L298 S304 I305 C306 I318 L322 E334 M337L298-L302 HydrophobicContact CD1-CD1 3.74Å; L298-L302 HydrophobicContact CG-CD1 4.23Å; L298-L302 WeakPolarHBondContact O-CA 3.45Å; L298-L302 WeakPolarHBondContact O-CB 3.23Å; L298-L302 PolarHBondContact O-N 3.38Å; L302-S304 PolarHBondContact O-N 3.12Å; L302-I305 PolarHBondContact O-N 3.46Å; L302-C306 WeakPolarHBondContact O-CB 3.43Å; L302-C306 PolarHBondContact O-N 2.65Å; L302-C306 PolarHBondContact O-SG 3.1Å; L302-C306 VanDerWaalsContact O-SG 3.33Å; L302-I318 HydrophobicContact CD1-CG2 4.34Å; L302-L322 HydrophobicContact CD1-CD1 4.15Å; L302-L322 HydrophobicContact CD2-CD1 3.89Å; L302-E334 HydrophobicContact CD2-CB 4.12Å; L302-E334 VanDerWaalsContact CD2-OE2 3.25Å; L302-E334 WeakPolarHBondContact CD2-OE2 3.36Å; L302-M337 HydrophobicContact CD2-CB 4.02Å; L302-M337 HydrophobicContact CG-CB 4.14Å
303H94.6Very high93.4Very high88 Ų8839.3 Ų39.341%0.40721%0.209SC..Hα-helixtrans-54.7-49179.1-174.975.2000112.8N301 I305 C306 Q307 M337N301-H303 PolarHBondContact O-N 3.42Å; H303-I305 VanDerWaalsContact C-N 3.34Å; H303-I305 PolarHBondContact O-N 2.77Å; H303-C306 PolarHBondContact O-N 3.02Å; H303-Q307 PolarHBondContact CE1-NE2 3.14Å; H303-Q307 PolarHBondContact NE2-NE2 2.93Å; H303-Q307 WeakPolarHBondContact O-CB 3.35Å; H303-Q307 WeakPolarHBondContact O-CG 3.16Å; H303-Q307 PolarHBondContact O-N 3.36Å; H303-M337 HydrophobicContact CB-CB 4.29Å; H303-M337 HydrophobicContact CB-CG 4.3Å; H303-M337 HydrophobicContact CB-SD 3.86Å; H303-M337 PolarHBondContact ND1-SD 2.69Å
304S94.6Very high93.2Very high34 Ų3440.6 Ų40.624%0.23821%0.214CC..Hα-helixtrans-69.2-32.2-177.9-175.50000112.5V275 N301 L302 K308V275-S304 WeakPolarHBondContact CG1-OG 3.48Å; N301-S304 PolarHBondContact O-N 3.35Å; N301-S304 VanDerWaalsContact O-N 3.08Å; L302-S304 PolarHBondContact O-N 3.12Å; S304-K308 VanDerWaalsContact O-CG 3.29Å; S304-K308 WeakPolarHBondContact O-CG 3.37Å
305I96.1Very high93.1Very high0 Ų037.4 Ų37.40%020%0.197CC..Hα-helixtrans-71.6-49.3176.5-68.7169.7000109.4V275 F280 F289 L293 L298 N301 L302 H303 Q307 K308 V309 I318V275-I305 HydrophobicContact CB-CG1 4.48Å; V275-I305 HydrophobicContact CG1-CG1 3.8Å; V275-I305 HydrophobicContact CG2-CD1 4.02Å; V275-I305 HydrophobicContact CG2-CG1 3.75Å; F280-I305 HydrophobicContact CE1-CG1 4.42Å; F280-I305 HydrophobicContact CE1-CG2 4.42Å; F289-I305 HydrophobicContact CZ-CG2 4.36Å; L293-I305 HydrophobicContact CD1-CD1 3.93Å; L298-I305 HydrophobicContact CD1-CD1 3.94Å; L298-I305 HydrophobicContact CD1-CG2 4.33Å; N301-I305 HydrophobicContact CB-CD1 4.01Å; N301-I305 HydrophobicContact CB-CG1 4.27Å; N301-I305 WeakPolarHBondContact O-CG1 3.43Å; N301-I305 PolarHBondContact O-N 3.22Å; L302-I305 PolarHBondContact O-N 3.46Å; H303-I305 VanDerWaalsContact C-N 3.34Å; H303-I305 PolarHBondContact O-N 2.77Å; I305-Q307 VanDerWaalsContact C-N 3.28Å; I305-Q307 PolarHBondContact O-N 3.07Å; I305-K308 PolarHBondContact O-N 3.41Å; I305-V309 HydrophobicContact CG2-CG2 4.23Å; I305-V309 WeakPolarHBondContact O-CG2 2.96Å; I305-V309 PolarHBondContact O-N 3.22Å; I305-I318 HydrophobicContact CG2-CD1 3.61Å; I305-I318 HydrophobicContact CG2-CG1 4.03Å
306C94.8Very high93.1Very high0 Ų042.1 Ų42.10%021%0.211CC..Hα-helixtrans-60.3-35.8-179.7-71.20000112.9L302 H303 K308 M337 V341L302-C306 WeakPolarHBondContact O-CB 3.43Å; L302-C306 PolarHBondContact O-N 2.65Å; L302-C306 PolarHBondContact O-SG 3.1Å; L302-C306 VanDerWaalsContact O-SG 3.33Å; H303-C306 PolarHBondContact O-N 3.02Å; C306-K308 PolarHBondContact O-N 3.32Å; C306-M337 WeakPolarHBondContact CB-O 3.39Å; C306-V341 HydrophobicContact CB-CG2 3.77Å; C306-V341 VanDerWaalsContact SG-CG2 3.55Å
307Q90.3Very high93.1Very high96 Ų9638.7 Ų38.745%0.44919%0.188SC..THydrogen-bonded Turntrans-68.2-21.5174.5-77.6-172.4-14.500114.3R238 H303 I305R238-Q307 PolarHBondContact NE-O 3.19Å; H303-Q307 PolarHBondContact CE1-NE2 3.14Å; H303-Q307 PolarHBondContact NE2-NE2 2.93Å; H303-Q307 WeakPolarHBondContact O-CB 3.35Å; H303-Q307 WeakPolarHBondContact O-CG 3.16Å; H303-Q307 PolarHBondContact O-N 3.36Å; I305-Q307 VanDerWaalsContact C-N 3.28Å; I305-Q307 PolarHBondContact O-N 3.07Å
308K90.1Very high93.1Very high27 Ų2736.6 Ų36.612%0.11718%0.177CC..THydrogen-bonded Turntrans-103.9-8.4-172.6-68.5-172175.9-174.50114.5R238 V275 S276 D277 F280 P281 S304 I305 C306R238-K308 VanDerWaalsContact NH2-C 3.35Å; R238-K308 VanDerWaalsContact NH2-CA 3.29Å; R238-K308 PolarHBondContact NH2-O 2.98Å; V275-K308 WeakPolarHBondContact O-CD 2.95Å; V275-K308 WeakPolarHBondContact O-CE 3.46Å; V275-K308 PolarHBondContact O-NZ 3.45Å; S276-K308 VanDerWaalsContact C-NZ 3.32Å; S276-K308 PolarHBondContact O-NZ 3.06Å; S276-K308 VanDerWaalsContact O-NZ 3.07Å; D277-K308 PolarHBondContact O-NZ 3.24Å; F280-K308 HydrophobicContact CB-CD 4.17Å; F280-K308 HydrophobicContact CD1-CB 3.86Å; F280-K308 HydrophobicContact CD1-CD 4.07Å; P281-K308 WeakPolarHBondContact CD-O 3.05Å; S304-K308 VanDerWaalsContact O-CG 3.29Å; S304-K308 WeakPolarHBondContact O-CG 3.37Å; I305-K308 PolarHBondContact O-N 3.41Å; C306-K308 PolarHBondContact O-N 3.32Å
309V89.7Confident93.2Very high0 Ų036.6 Ų36.60%018%0.177CC..  trans-115.3113.5-171.91770000111.3F280 P281 F289 I305 Y314 Q315 I318F280-V309 HydrophobicContact CE1-CG2 4.07Å; P281-V309 HydrophobicContact CG-CG2 4.22Å; F289-V309 HydrophobicContact CE2-CG2 4.42Å; F289-V309 HydrophobicContact CZ-CG2 4.25Å; I305-V309 HydrophobicContact CG2-CG2 4.23Å; I305-V309 WeakPolarHBondContact O-CG2 2.96Å; I305-V309 PolarHBondContact O-N 3.22Å; V309-Y314 HydrophobicContact CG1-CG 4.25Å; V309-Q315 HydrophobicContact CG1-CG 4.02Å; V309-Q315 PolarHBondContact O-NE2 3.47Å; V309-I318 HydrophobicContact CB-CD1 3.94Å; V309-I318 HydrophobicContact CG1-CD1 3.88Å; V309-I318 HydrophobicContact CG2-CD1 4.08Å
310D85.6Confident93.2Very high6 Ų635.9 Ų35.93%0.03218%0.178CC..  trans-110.6-11.4-175.9-57.1-71.6000113.8R238 K244 L247R238-D310 IonicContact NH2-OD2 3.84Å; K244-D310 WeakPolarHBondContact CD-OD1 3.44Å; K244-D310 WeakPolarHBondContact CE-OD1 3.16Å; K244-D310 IonicContact NZ-OD1 2.79Å; K244-D310 PolarHBondContact NZ-OD1 2.93Å; L247-D310 HydrophobicContact CB-CB 3.96Å
311D87.4Confident93.3Very high21 Ų2131 Ų3111%0.11215%0.15CC..SBendtrans-90129.1-179.3176.9-88.6000112.8Q286 G313 Y314 Q315Q286-D311 PolarHBondContact NE2-OD1 2.93Å; D311-G313 PolarHBondContact O-N 3.05Å; D311-G313 VanDerWaalsContact O-N 3.1Å; D311-G313 PolarHBondContact OD1-N 3.31Å; D311-Y314 HydrophobicContact CB-CD2 3.65Å; D311-Y314 HydrophobicContact CB-CE2 4.14Å; D311-Y314 PolarHBondContact O-N 3.2Å; D311-Y314 VanDerWaalsContact O-N 3.09Å; D311-Y314 WeakPolarHBondContact OD1-CD2 3.24Å; D311-Q315 WeakPolarHBondContact O-CG 3.43Å; D311-Q315 PolarHBondContact O-N 3.32Å
312D87.4Confident93.4Very high48 Ų4830 Ų3026%0.25715%0.145SC..Hα-helixtrans-52.1-36.6-175-59.810.8000114K248 Q315 R316K248-D312 WeakPolarHBondContact CD-OD1 3.39Å; K248-D312 WeakPolarHBondContact CE-OD1 3.46Å; K248-D312 IonicContact NZ-OD1 3.13Å; K248-D312 PolarHBondContact NZ-OD1 2.96Å; K248-D312 IonicContact NZ-OD2 2.72Å; K248-D312 PolarHBondContact NZ-OD2 3.31Å; D312-Q315 PolarHBondContact O-N 3.24Å; D312-R316 WeakPolarHBondContact O-CB 3.19Å; D312-R316 VanDerWaalsContact O-CG 3.25Å; D312-R316 WeakPolarHBondContact O-CG 3.26Å; D312-R316 PolarHBondContact O-N 3.41Å
313G89.6Confident93.3Very high12 Ų1231.1 Ų31.112%0.12415%0.151CC..Hα-helixtrans-67.4-44.2-178.100000111.6D311 Q315 R316 I317D311-G313 PolarHBondContact O-N 3.05Å; D311-G313 VanDerWaalsContact O-N 3.1Å; D311-G313 PolarHBondContact OD1-N 3.31Å; G313-Q315 VanDerWaalsContact C-N 3.35Å; G313-R316 PolarHBondContact O-N 2.63Å; G313-I317 WeakPolarHBondContact O-CD1 3.48Å; G313-I317 VanDerWaalsContact O-CG1 3.3Å; G313-I317 WeakPolarHBondContact O-CG1 3.46Å; G313-I317 PolarHBondContact O-N 2.64Å; G313-I317 VanDerWaalsContact O-N 3.11Å
314Y92Very high93.4Very high26 Ų2632.8 Ų32.810%0.10216%0.159CC..Hα-helixtrans-66.2-38.8174.2-62.2-103.9000111.3P281 Y284 N285 Q286 F289 V309 D311 I317 I318P281-Y314 HydrophobicContact CB-CD1 4.49Å; P281-Y314 HydrophobicContact CB-CE1 4.41Å; P281-Y314 HydrophobicContact CG-CD1 4.48Å; P281-Y314 HydrophobicContact CG-CE1 4.47Å; Y284-Y314 WeakPolarHBondContact O-CE1 3.36Å; Y284-Y314 PolarHBondContact O-OH 2.88Å; N285-Y314 VanDerWaalsContact C-OH 3.31Å; N285-Y314 VanDerWaalsContact CA-OH 3.27Å; N285-Y314 WeakPolarHBondContact CA-OH 3.49Å; Q286-Y314 HydrophobicContact CB-CE2 4.49Å; Q286-Y314 HydrophobicContact CG-CD2 3.68Å; Q286-Y314 HydrophobicContact CG-CE2 3.4Å; Q286-Y314 HydrophobicContact CG-CG 4.36Å; Q286-Y314 PolarHBondContact N-OH 3.23Å; F289-Y314 HydrophobicContact CB-CD1 3.6Å; F289-Y314 HydrophobicContact CB-CE1 3.58Å; F289-Y314 AromaticContact CD1-CD1 3.62Å; F289-Y314 HydrophobicContact CD1-CD1 3.62Å; F289-Y314 HydrophobicContact CD1-CE1 4.47Å; F289-Y314 HydrophobicContact CD1-CG 4.36Å; F289-Y314 AromaticContact CD2-CD1 3.56Å; F289-Y314 HydrophobicContact CD2-CD1 3.56Å; F289-Y314 AromaticContact CD2-CE1 3.97Å; F289-Y314 HydrophobicContact CD2-CE1 3.97Å; F289-Y314 HydrophobicContact CE1-CD1 4.1Å; F289-Y314 HydrophobicContact CE2-CD1 4.02Å; F289-Y314 AromaticContact CG-CD1 3.32Å; F289-Y314 HydrophobicContact CG-CD1 3.32Å; F289-Y314 AromaticContact CG-CE1 3.8Å; F289-Y314 HydrophobicContact CG-CE1 3.8Å; F289-Y314 HydrophobicContact CG-CG 4.44Å; F289-Y314 HydrophobicContact CZ-CD1 4.29Å; V309-Y314 HydrophobicContact CG1-CG 4.25Å; D311-Y314 HydrophobicContact CB-CD2 3.65Å; D311-Y314 HydrophobicContact CB-CE2 4.14Å; D311-Y314 PolarHBondContact O-N 3.2Å; D311-Y314 VanDerWaalsContact O-N 3.09Å; D311-Y314 WeakPolarHBondContact OD1-CD2 3.24Å; Y314-I317 WeakPolarHBondContact O-CB 3.46Å; Y314-I317 PolarHBondContact O-N 3.42Å; Y314-I318 WeakPolarHBondContact O-CG1 3.07Å; Y314-I318 PolarHBondContact O-N 3.33Å
315Q94.8Very high93.4Very high8 Ų832.4 Ų32.44%0.03716%0.158CC..Hα-helixtrans-62.9-42.5176.8-65.9-177.6-13.500112.2V309 D311 D312 G313 I317 I318 L319 S340 V341 S344V309-Q315 HydrophobicContact CG1-CG 4.02Å; V309-Q315 PolarHBondContact O-NE2 3.47Å; D311-Q315 WeakPolarHBondContact O-CG 3.43Å; D311-Q315 PolarHBondContact O-N 3.32Å; D312-Q315 PolarHBondContact O-N 3.24Å; G313-Q315 VanDerWaalsContact C-N 3.35Å; Q315-I317 VanDerWaalsContact C-N 3.33Å; Q315-I317 PolarHBondContact O-N 3.24Å; Q315-I318 WeakPolarHBondContact O-CB 3.06Å; Q315-I318 PolarHBondContact O-N 2.7Å; Q315-L319 WeakPolarHBondContact O-CG 3.36Å; Q315-L319 PolarHBondContact O-N 3.46Å; Q315-S340 PolarHBondContact NE2-O 3.02Å; Q315-S340 PolarHBondContact OE1-O 3.24Å; Q315-V341 HydrophobicContact CB-CB 4.49Å; Q315-V341 HydrophobicContact CB-CG1 4.09Å; Q315-V341 HydrophobicContact CG-CB 4.41Å; Q315-V341 HydrophobicContact CG-CG2 4.1Å; Q315-S344 WeakPolarHBondContact CB-OG 3.34Å; Q315-S344 PolarHBondContact OE1-OG 3.39Å
316R95.1Very high93.4Very high137 Ų13733.9 Ų33.952%0.51716%0.164SC..Hα-helixtrans-61.6-40.6173.3-72.3171.4-167.4152.16.3112.2D312 G313 I318 L319 N320D312-R316 WeakPolarHBondContact O-CB 3.19Å; D312-R316 VanDerWaalsContact O-CG 3.25Å; D312-R316 WeakPolarHBondContact O-CG 3.26Å; D312-R316 PolarHBondContact O-N 3.41Å; G313-R316 PolarHBondContact O-N 2.63Å; R316-I318 VanDerWaalsContact C-N 3.31Å; R316-I318 PolarHBondContact O-N 2.66Å; R316-L319 PolarHBondContact O-N 2.83Å; R316-N320 WeakPolarHBondContact O-CB 3.24Å; R316-N320 VanDerWaalsContact O-CG 3.25Å; R316-N320 PolarHBondContact O-N 2.91Å; R316-N320 PolarHBondContact O-ND2 3.07Å
317I96.1Very high93.3Very high13 Ų1339.3 Ų39.37%0.06720%0.199CC..Hα-helixtrans-60.6-43174.7-68.7158.8000110.8Q286 F289 E290 G313 Y314 Q315 N320 K321Q286-I317 HydrophobicContact CB-CD1 4.25Å; Q286-I317 VanDerWaalsContact O-CD1 3.27Å; Q286-I317 WeakPolarHBondContact O-CD1 3.21Å; F289-I317 HydrophobicContact CD1-CB 4.24Å; F289-I317 HydrophobicContact CD1-CD1 4.22Å; F289-I317 HydrophobicContact CD1-CG2 3.83Å; F289-I317 HydrophobicContact CE1-CB 4.39Å; F289-I317 HydrophobicContact CE1-CG2 4.05Å; E290-I317 HydrophobicContact CB-CD1 3.84Å; E290-I317 HydrophobicContact CB-CG1 4.08Å; E290-I317 HydrophobicContact CB-CG2 3.91Å; E290-I317 HydrophobicContact CG-CG1 4.37Å; E290-I317 HydrophobicContact CG-CG2 4.1Å; G313-I317 WeakPolarHBondContact O-CD1 3.48Å; G313-I317 VanDerWaalsContact O-CG1 3.3Å; G313-I317 WeakPolarHBondContact O-CG1 3.46Å; G313-I317 PolarHBondContact O-N 2.64Å; G313-I317 VanDerWaalsContact O-N 3.11Å; Y314-I317 WeakPolarHBondContact O-CB 3.46Å; Y314-I317 PolarHBondContact O-N 3.42Å; Q315-I317 VanDerWaalsContact C-N 3.33Å; Q315-I317 PolarHBondContact O-N 3.24Å; I317-N320 PolarHBondContact O-N 3.41Å; I317-K321 HydrophobicContact CG2-CD 4.23Å; I317-K321 WeakPolarHBondContact O-CG 3.14Å; I317-K321 PolarHBondContact O-N 3.4Å
318I97.4Very high93.4Very high0 Ų040.9 Ų40.90%022%0.221CC..Hα-helixtrans-60-49.2176.2-68.3161.7000110.5F289 L298 L302 I305 V309 Y314 Q315 R316 N320 K321 L322 V341F289-I318 HydrophobicContact CE1-CD1 4.43Å; F289-I318 HydrophobicContact CE1-CG1 3.98Å; F289-I318 HydrophobicContact CZ-CD1 4.22Å; F289-I318 HydrophobicContact CZ-CG1 4.12Å; L298-I318 HydrophobicContact CD1-CG2 3.92Å; L298-I318 HydrophobicContact CD2-CG2 4.37Å; L302-I318 HydrophobicContact CD1-CG2 4.34Å; I305-I318 HydrophobicContact CG2-CD1 3.61Å; I305-I318 HydrophobicContact CG2-CG1 4.03Å; V309-I318 HydrophobicContact CB-CD1 3.94Å; V309-I318 HydrophobicContact CG1-CD1 3.88Å; V309-I318 HydrophobicContact CG2-CD1 4.08Å; Y314-I318 WeakPolarHBondContact O-CG1 3.07Å; Y314-I318 PolarHBondContact O-N 3.33Å; Q315-I318 WeakPolarHBondContact O-CB 3.06Å; Q315-I318 PolarHBondContact O-N 2.7Å; R316-I318 VanDerWaalsContact C-N 3.31Å; R316-I318 PolarHBondContact O-N 2.66Å; I318-N320 PolarHBondContact O-N 3.32Å; I318-K321 PolarHBondContact O-N 2.9Å; I318-L322 WeakPolarHBondContact O-CB 3.23Å; I318-L322 PolarHBondContact O-N 3.28Å; I318-V341 HydrophobicContact CB-CG1 4.02Å; I318-V341 HydrophobicContact CD1-CG2 4.03Å; I318-V341 HydrophobicContact CG2-CG1 3.83Å
319L97.6Very high93.7Very high2 Ų240.5 Ų40.51%0.0123%0.225CC..Hα-helixtrans-61.5-43179.2-69.4170.1000112.3Q315 R316 K321 L322 N323 L338 V341 S344 A345 W353Q315-L319 WeakPolarHBondContact O-CG 3.36Å; Q315-L319 PolarHBondContact O-N 3.46Å; R316-L319 PolarHBondContact O-N 2.83Å; L319-K321 VanDerWaalsContact C-N 3.35Å; L319-K321 PolarHBondContact O-N 2.92Å; L319-L322 WeakPolarHBondContact O-CB 3.15Å; L319-L322 PolarHBondContact O-N 3Å; L319-N323 PolarHBondContact O-N 3.42Å; L319-N323 PolarHBondContact O-ND2 3.14Å; L319-L338 HydrophobicContact CD2-CD1 4.4Å; L319-L338 HydrophobicContact CD2-CD2 4.23Å; L319-V341 HydrophobicContact CD1-CG1 4.42Å; L319-V341 HydrophobicContact CD2-CG1 3.99Å; L319-V341 HydrophobicContact CG-CG1 3.8Å; L319-S344 VanDerWaalsContact CD1-C 3.45Å; L319-A345 HydrophobicContact CD1-CB 3.89Å; L319-W353 HydrophobicContact CD2-CZ2 4.17Å
320N96.9Very high94.1Very high82 Ų8240.5 Ų40.544%0.43923%0.225SC..Hα-helixtrans-59.1-45.5176.3-74.4-16.4000111.7R316 I317 I318 N323 Q324R316-N320 WeakPolarHBondContact O-CB 3.24Å; R316-N320 VanDerWaalsContact O-CG 3.25Å; R316-N320 PolarHBondContact O-N 2.91Å; R316-N320 PolarHBondContact O-ND2 3.07Å; I317-N320 PolarHBondContact O-N 3.41Å; I318-N320 PolarHBondContact O-N 3.32Å; N320-N323 PolarHBondContact O-N 3.05Å; N320-Q324 WeakPolarHBondContact O-CG 3.48Å; N320-Q324 PolarHBondContact O-N 3.45Å; N320-Q324 VanDerWaalsContact O-N 3.16Å
321K97.1Very high94.6Very high24 Ų2442 Ų4210%0.10424%0.235CC..Hα-helixtrans-70.7-32.6177.6-73178.8-172.6-76.40112.4E290 L293 V295 L298 I317 I318 L319 Q324 A325E290-K321 WeakPolarHBondContact O-CE 3.44Å; E290-K321 PolarHBondContact O-NZ 3.04Å; L293-K321 HydrophobicContact CB-CD 4.2Å; L293-K321 HydrophobicContact CD2-CD 3.97Å; L293-K321 HydrophobicContact CG-CD 3.92Å; L293-K321 VanDerWaalsContact O-CD 3.31Å; L293-K321 WeakPolarHBondContact O-CD 3.4Å; L293-K321 WeakPolarHBondContact O-CE 3.34Å; L293-K321 PolarHBondContact O-NZ 3.37Å; V295-K321 HydrophobicContact CG2-CB 4.33Å; V295-K321 HydrophobicContact CG2-CG 4.47Å; L298-K321 HydrophobicContact CD2-CB 3.41Å; L298-K321 VanDerWaalsContact CD2-CB 3.41Å; I317-K321 HydrophobicContact CG2-CD 4.23Å; I317-K321 WeakPolarHBondContact O-CG 3.14Å; I317-K321 PolarHBondContact O-N 3.4Å; I318-K321 PolarHBondContact O-N 2.9Å; L319-K321 VanDerWaalsContact C-N 3.35Å; L319-K321 PolarHBondContact O-N 2.92Å; K321-Q324 WeakPolarHBondContact O-CB 3.08Å; K321-Q324 PolarHBondContact O-N 3Å; K321-A325 PolarHBondContact O-N 3.28Å
322L97.1Very high95.1Very high1 Ų141.3 Ų41.31%0.00523%0.231CC..Hα-helixtrans-64.4-43.6174-172.969.1000111.2L298 L302 I318 L319 Q324 A325 F326 V330 L338L298-L322 HydrophobicContact CD2-CB 4.47Å; L302-L322 HydrophobicContact CD1-CD1 4.15Å; L302-L322 HydrophobicContact CD2-CD1 3.89Å; I318-L322 WeakPolarHBondContact O-CB 3.23Å; I318-L322 PolarHBondContact O-N 3.28Å; L319-L322 WeakPolarHBondContact O-CB 3.15Å; L319-L322 PolarHBondContact O-N 3Å; L322-Q324 VanDerWaalsContact C-N 3.27Å; L322-Q324 PolarHBondContact O-N 3.22Å; L322-A325 WeakPolarHBondContact O-CA 3.49Å; L322-A325 WeakPolarHBondContact O-CB 3.46Å; L322-A325 PolarHBondContact O-N 3.43Å; L322-F326 HydrophobicContact CD1-CD2 3.64Å; L322-F326 HydrophobicContact CD1-CE2 3.58Å; L322-F326 HydrophobicContact CG-CD2 4.15Å; L322-F326 WeakPolarHBondContact O-CD2 3.4Å; L322-F326 PolarHBondContact O-N 3.47Å; L322-V330 HydrophobicContact CD2-CG1 4.04Å; L322-V330 HydrophobicContact CD2-CG2 4.28Å; L322-V330 HydrophobicContact CG-CG1 4.35Å; L322-V330 HydrophobicContact CG-CG2 4.23Å; L322-L338 HydrophobicContact CD2-CD1 4.48Å; L322-L338 HydrophobicContact CD2-CD2 3.62Å; L322-L338 HydrophobicContact CD2-CG 4.47Å
323N95.5Very high95.6Very high29 Ų2943.8 Ų43.816%0.15524%0.241CC..Hα-helixtrans-63.1-33.9174.6-73.1-26.5000112.4L319 N320 A325 F326 D349L319-N323 PolarHBondContact O-N 3.42Å; L319-N323 PolarHBondContact O-ND2 3.14Å; N320-N323 PolarHBondContact O-N 3.05Å; N323-A325 VanDerWaalsContact C-N 3.33Å; N323-F326 CarbonylContact O-C 3.58Å; N323-F326 PolarHBondContact O-N 3.47Å; N323-D349 PolarHBondContact ND2-OD1 2.9Å
324Q95.6Very high96Very high123 Ų12345.3 Ų45.358%0.57525%0.245SC*.Hα-helixtrans-66.6-35.9171.9-67.6167.424.300111.9V295 N320 K321 L322 F326V295-Q324 HydrophobicContact CG2-CB 4.25Å; N320-Q324 WeakPolarHBondContact O-CG 3.48Å; N320-Q324 PolarHBondContact O-N 3.45Å; N320-Q324 VanDerWaalsContact O-N 3.16Å; K321-Q324 WeakPolarHBondContact O-CB 3.08Å; K321-Q324 PolarHBondContact O-N 3Å; L322-Q324 VanDerWaalsContact C-N 3.27Å; L322-Q324 PolarHBondContact O-N 3.22Å; Q324-F326 VanDerWaalsContact C-N 3.35Å
325A95.8Very high96.3Very high26 Ų2644.1 Ų44.122%0.21524%0.241CC..Hα-helixtrans-70.6-30.8177.600000112.9V295 K321 L322 N323V295-A325 HydrophobicContact CG1-CB 3.59Å; K321-A325 PolarHBondContact O-N 3.28Å; L322-A325 WeakPolarHBondContact O-CA 3.49Å; L322-A325 WeakPolarHBondContact O-CB 3.46Å; L322-A325 PolarHBondContact O-N 3.43Å; N323-A325 VanDerWaalsContact C-N 3.33Å
326F96Very high96.4Very high30 Ų3046.1 Ų46.113%0.13225%0.25CC..  trans-12966.8-173.3-62.7-78.4000112K299 L322 N323 Q324 S328 G329 V330 P331 E334K299-F326 HydrophobicContact CD-CZ 4.22Å; K299-F326 HydrophobicContact CG-CZ 4.33Å; L322-F326 HydrophobicContact CD1-CD2 3.64Å; L322-F326 HydrophobicContact CD1-CE2 3.58Å; L322-F326 HydrophobicContact CG-CD2 4.15Å; L322-F326 WeakPolarHBondContact O-CD2 3.4Å; L322-F326 PolarHBondContact O-N 3.47Å; N323-F326 CarbonylContact O-C 3.58Å; N323-F326 PolarHBondContact O-N 3.47Å; Q324-F326 VanDerWaalsContact C-N 3.35Å; F326-S328 PolarHBondContact O-N 2.94Å; F326-S328 VanDerWaalsContact O-N 3.15Å; F326-G329 PolarHBondContact O-N 3.45Å; F326-V330 HydrophobicContact CB-CG2 4.13Å; F326-P331 HydrophobicContact CE1-CG 4.27Å; F326-E334 HydrophobicContact CE1-CG 4.28Å; F326-E334 HydrophobicContact CE2-CG 4.07Å; F326-E334 HydrophobicContact CZ-CG 3.66Å
327P92.8Very high96.5Very high114 Ų11442.6 Ų42.674%0.7424%0.24SC*.THydrogen-bonded Turntrans-64.5-21.8-175.426.2-35.5000113.9
328S93Very high96.5Very high130 Ų13042 Ų4291%0.90924%0.237SC*.THydrogen-bonded Turntrans-90.21.8177.6-55.80000114.1F326F326-S328 PolarHBondContact O-N 2.94Å; F326-S328 VanDerWaalsContact O-N 3.15Å
329G94.6Very high96.4Very high19 Ų1943 Ų4320%0.19625%0.245CC..  trans116.3147.3-175.500000112.7F326 K352F326-G329 PolarHBondContact O-N 3.45Å; G329-K352 CarbonylContact C-O 3.44Å; G329-K352 WeakPolarHBondContact CA-O 3.47Å
330V97.9Very high96.1Very high0 Ų043 Ų430%025%0.245CC..BIsolated β-bridgetrans-88.4120.4-176.9-172.60000108.7L322 F326 E334 V335 K352 N354L322-V330 HydrophobicContact CD2-CG1 4.04Å; L322-V330 HydrophobicContact CD2-CG2 4.28Å; L322-V330 HydrophobicContact CG-CG1 4.35Å; L322-V330 HydrophobicContact CG-CG2 4.23Å; F326-V330 HydrophobicContact CB-CG2 4.13Å; V330-E334 HydrophobicContact CG1-CB 3.72Å; V330-V335 HydrophobicContact CB-CG2 4.08Å; V330-V335 HydrophobicContact CG1-CG2 3.74Å; V330-K352 PolarHBondContact N-O 3.23Å; V330-N354 PolarHBondContact O-N 3.45Å
331P97.8Very high96.1Very high36 Ų3639 Ų3923%0.23422%0.224CC..  trans-71.6157.8-177.430-35.1000112.3F326 Q333 E334 V335F326-P331 HydrophobicContact CE1-CG 4.27Å; P331-Q333 PolarHBondContact O-N 3Å; P331-Q333 VanDerWaalsContact O-N 3.14Å; P331-E334 HydrophobicContact CG-CB 4.23Å; P331-E334 HydrophobicContact CG-CG 3.69Å; P331-E334 PolarHBondContact O-N 3.28Å; P331-V335 WeakPolarHBondContact O-CG2 3.47Å; P331-V335 PolarHBondContact O-N 2.92Å; P331-V335 VanDerWaalsContact O-N 3.11Å
332D98.1Very high96.1Very high7 Ų738 Ų384%0.03722%0.22CC..Hα-helixtrans-47.3-45.2-177.5-85.1-92.9000112.4E334 V335 Q336 N354 T356 E357 T360D332-E334 VanDerWaalsContact C-N 3.29Å; D332-E334 PolarHBondContact O-N 2.79Å; D332-V335 PolarHBondContact O-N 3.41Å; D332-Q336 VanDerWaalsContact O-CG 3.26Å; D332-Q336 WeakPolarHBondContact O-CG 3.45Å; D332-Q336 PolarHBondContact O-N 3Å; D332-N354 WeakPolarHBondContact OD2-CB 3.48Å; D332-T356 PolarHBondContact OD1-N 3.21Å; D332-T356 PolarHBondContact OD2-N 2.99Å; D332-T356 PolarHBondContact OD2-OG1 3.28Å; D332-E357 HydrophobicContact CB-CG 4.43Å; D332-E357 PolarHBondContact OD1-N 3.05Å; D332-E357 VanDerWaalsContact OD1-N 3.17Å; D332-T360 VanDerWaalsContact CB-OG1 3.31Å; D332-T360 WeakPolarHBondContact CB-OG1 3.38Å; D332-T360 WeakPolarHBondContact OD1-CB 3.37Å; D332-T360 PolarHBondContact OD1-OG1 3.42Å
333Q97.3Very high95.9Very high100 Ų10039.5 Ų39.547%0.46723%0.226SC..Hα-helixtrans-62.3-33-177.5-63.376.419.900113.2P331 M337P331-Q333 PolarHBondContact O-N 3Å; P331-Q333 VanDerWaalsContact O-N 3.14Å; Q333-M337 WeakPolarHBondContact O-CG 3.39Å
334E97.6Very high95.9Very high44 Ų4439 Ų3921%0.20623%0.225CC..Hα-helixtrans-83.8-34.7179.2-58.7-70.4-16900110.9L302 F326 V330 P331 D332 Q336 M337L302-E334 HydrophobicContact CD2-CB 4.12Å; L302-E334 VanDerWaalsContact CD2-OE2 3.25Å; L302-E334 WeakPolarHBondContact CD2-OE2 3.36Å; F326-E334 HydrophobicContact CE1-CG 4.28Å; F326-E334 HydrophobicContact CE2-CG 4.07Å; F326-E334 HydrophobicContact CZ-CG 3.66Å; V330-E334 HydrophobicContact CG1-CB 3.72Å; P331-E334 HydrophobicContact CG-CB 4.23Å; P331-E334 HydrophobicContact CG-CG 3.69Å; P331-E334 PolarHBondContact O-N 3.28Å; D332-E334 VanDerWaalsContact C-N 3.29Å; D332-E334 PolarHBondContact O-N 2.79Å; E334-Q336 VanDerWaalsContact C-N 3.3Å; E334-Q336 PolarHBondContact O-N 3.11Å; E334-M337 WeakPolarHBondContact O-CB 3.29Å; E334-M337 PolarHBondContact O-N 3.27Å; E334-M337 VanDerWaalsContact O-N 3.12Å
335V98.1Very high95.9Very high1 Ų133.3 Ų33.31%0.00620%0.198CC..Hα-helixtrans-61-41.1173.1177.90000110.6V330 P331 D332 M337 L338 W353 T360 L364V330-V335 HydrophobicContact CB-CG2 4.08Å; V330-V335 HydrophobicContact CG1-CG2 3.74Å; P331-V335 WeakPolarHBondContact O-CG2 3.47Å; P331-V335 PolarHBondContact O-N 2.92Å; P331-V335 VanDerWaalsContact O-N 3.11Å; D332-V335 PolarHBondContact O-N 3.41Å; V335-M337 PolarHBondContact O-N 2.94Å; V335-M337 VanDerWaalsContact O-N 3.12Å; V335-L338 HydrophobicContact CG1-CD1 4.44Å; V335-L338 WeakPolarHBondContact O-CB 3.45Å; V335-L338 WeakPolarHBondContact O-CG 3.47Å; V335-L338 PolarHBondContact O-N 3.27Å; V335-L338 VanDerWaalsContact O-N 3.12Å; V335-W353 HydrophobicContact CG1-CD2 4.31Å; V335-W353 HydrophobicContact CG1-CE3 4.07Å; V335-W353 HydrophobicContact CG2-CB 3.74Å; V335-W353 HydrophobicContact CG2-CD2 4.35Å; V335-W353 HydrophobicContact CG2-CG 3.84Å; V335-T360 HydrophobicContact CB-CG2 3.98Å; V335-T360 HydrophobicContact CG1-CG2 3.68Å; V335-L364 HydrophobicContact CG1-CD1 3.81Å; V335-L364 HydrophobicContact CG1-CD2 3.86Å; V335-L364 HydrophobicContact CG1-CG 4.01Å
336Q97.6Very high96Very high50 Ų5035.5 Ų35.523%0.23421%0.209CC..THydrogen-bonded Turntrans-57.1-25.3175.8-74.6169.427.300113.3D332 E334 E357 T360 A363D332-Q336 VanDerWaalsContact O-CG 3.26Å; D332-Q336 WeakPolarHBondContact O-CG 3.45Å; D332-Q336 PolarHBondContact O-N 3Å; E334-Q336 VanDerWaalsContact C-N 3.3Å; E334-Q336 PolarHBondContact O-N 3.11Å; Q336-E357 PolarHBondContact NE2-OE2 3.09Å; Q336-E357 VanDerWaalsContact NE2-OE2 3.09Å; Q336-T360 HydrophobicContact CG-CG2 4.32Å; Q336-T360 PolarHBondContact NE2-OG1 3.48Å; Q336-A363 HydrophobicContact CB-CB 4.19Å; Q336-A363 HydrophobicContact CG-CB 4.16Å
337M97Very high96.1Very high63 Ų6338.4 Ų38.431%0.3123%0.226SC..THydrogen-bonded Turntrans-85.9-10.1-178-58-57.817100113.9L302 H303 C306 Q333 E334 V335 A339L302-M337 HydrophobicContact CD2-CB 4.02Å; L302-M337 HydrophobicContact CG-CB 4.14Å; H303-M337 HydrophobicContact CB-CB 4.29Å; H303-M337 HydrophobicContact CB-CG 4.3Å; H303-M337 HydrophobicContact CB-SD 3.86Å; H303-M337 PolarHBondContact ND1-SD 2.69Å; C306-M337 WeakPolarHBondContact CB-O 3.39Å; Q333-M337 WeakPolarHBondContact O-CG 3.39Å; E334-M337 WeakPolarHBondContact O-CB 3.29Å; E334-M337 PolarHBondContact O-N 3.27Å; E334-M337 VanDerWaalsContact O-N 3.12Å; V335-M337 PolarHBondContact O-N 2.94Å; V335-M337 VanDerWaalsContact O-N 3.12Å; M337-A339 VanDerWaalsContact C-N 3.34Å; M337-A339 PolarHBondContact O-N 3.17Å
338L96.5Very high96.2Very high0 Ų037.4 Ų37.40%021%0.214CC..  trans-67.2-31.1-171.1-71.2178.7000113.8L319 L322 V335 S340 V341 W353L319-L338 HydrophobicContact CD2-CD1 4.4Å; L319-L338 HydrophobicContact CD2-CD2 4.23Å; L322-L338 HydrophobicContact CD2-CD1 4.48Å; L322-L338 HydrophobicContact CD2-CD2 3.62Å; L322-L338 HydrophobicContact CD2-CG 4.47Å; V335-L338 HydrophobicContact CG1-CD1 4.44Å; V335-L338 WeakPolarHBondContact O-CB 3.45Å; V335-L338 WeakPolarHBondContact O-CG 3.47Å; V335-L338 PolarHBondContact O-N 3.27Å; V335-L338 VanDerWaalsContact O-N 3.12Å; L338-S340 PolarHBondContact O-N 3.31Å; L338-V341 HydrophobicContact CD2-CG1 4.36Å; L338-V341 WeakPolarHBondContact O-CA 3.49Å; L338-V341 WeakPolarHBondContact O-CB 3.29Å; L338-V341 WeakPolarHBondContact O-CG2 3.34Å; L338-V341 PolarHBondContact O-N 2.97Å; L338-W353 HydrophobicContact CD1-CH2 4.01Å; L338-W353 HydrophobicContact CD1-CZ2 3.7Å
339A93.9Very high96.4Very high21 Ų2131.8 Ų31.817%0.17417%0.174CC..G310 helixtrans45.9-133.4-176.400000111.3M337 V341 S342 D369M337-A339 VanDerWaalsContact C-N 3.34Å; M337-A339 PolarHBondContact O-N 3.17Å; A339-V341 PolarHBondContact O-N 3.18Å; A339-V341 VanDerWaalsContact O-N 3.14Å; A339-S342 WeakPolarHBondContact O-CB 3.36Å; A339-S342 PolarHBondContact O-N 3.19Å; A339-S342 VanDerWaalsContact O-N 3.1Å; A339-S342 PolarHBondContact O-OG 3.39Å; A339-D369 VanDerWaalsContact CA-OD2 3.28Å; A339-D369 WeakPolarHBondContact CA-OD2 3.47Å
340S93Very high96.6Very high2 Ų231 Ų311%0.01417%0.165CC..G310 helixtrans-59.8-20.7177.154.50000115.3K244 Q315 L338 S342 R343 D369K244-S340 PolarHBondContact NZ-OG 3.35Å; Q315-S340 PolarHBondContact NE2-O 3.02Å; Q315-S340 PolarHBondContact OE1-O 3.24Å; L338-S340 PolarHBondContact O-N 3.31Å; S340-S342 PolarHBondContact O-N 3.28Å; S340-R343 PolarHBondContact O-N 2.89Å; S340-D369 WeakPolarHBondContact CB-O 3.47Å; S340-D369 PolarHBondContact N-OD1 3.06Å
341V95.9Very high96.6Very high0 Ų034.4 Ų34.40%019%0.189CC..G310 helixtrans-61.5-33.6175.1179.70000111C306 Q315 I318 L319 L338 A339 R343 S344C306-V341 HydrophobicContact CB-CG2 3.77Å; C306-V341 VanDerWaalsContact SG-CG2 3.55Å; Q315-V341 HydrophobicContact CB-CB 4.49Å; Q315-V341 HydrophobicContact CB-CG1 4.09Å; Q315-V341 HydrophobicContact CG-CB 4.41Å; Q315-V341 HydrophobicContact CG-CG2 4.1Å; I318-V341 HydrophobicContact CB-CG1 4.02Å; I318-V341 HydrophobicContact CD1-CG2 4.03Å; I318-V341 HydrophobicContact CG2-CG1 3.83Å; L319-V341 HydrophobicContact CD1-CG1 4.42Å; L319-V341 HydrophobicContact CD2-CG1 3.99Å; L319-V341 HydrophobicContact CG-CG1 3.8Å; L338-V341 HydrophobicContact CD2-CG1 4.36Å; L338-V341 WeakPolarHBondContact O-CA 3.49Å; L338-V341 WeakPolarHBondContact O-CB 3.29Å; L338-V341 WeakPolarHBondContact O-CG2 3.34Å; L338-V341 PolarHBondContact O-N 2.97Å; A339-V341 PolarHBondContact O-N 3.18Å; A339-V341 VanDerWaalsContact O-N 3.14Å; V341-R343 PolarHBondContact O-N 3.22Å; V341-R343 VanDerWaalsContact O-N 3.12Å; V341-S344 PolarHBondContact O-N 3.15Å
342S96.4Very high96.6Very high1 Ų136.2 Ų36.21%0.00719%0.193CC..G310 helixtrans-56.3-30.6179.266.50000112.6A339 S340 S344 A345 W372A339-S342 WeakPolarHBondContact O-CB 3.36Å; A339-S342 PolarHBondContact O-N 3.19Å; A339-S342 VanDerWaalsContact O-N 3.1Å; A339-S342 PolarHBondContact O-OG 3.39Å; S340-S342 PolarHBondContact O-N 3.28Å; S342-S344 PolarHBondContact O-N 3.24Å; S342-A345 WeakPolarHBondContact O-CB 3.49Å; S342-A345 PolarHBondContact O-N 3.11Å; S342-W372 VanDerWaalsContact C-CH2 3.46Å; S342-W372 WeakPolarHBondContact O-CH2 3.45Å; S342-W372 VanDerWaalsContact O-CZ3 3.23Å; S342-W372 WeakPolarHBondContact O-CZ3 3.16Å
343R94.4Very high96.6Very high34 Ų3435.9 Ų35.913%0.12819%0.191CC..G310 helixtrans-69.1-17-179.2-59.8-53.8-174.4-95.32.8114.3S340 V341 A345 L364 K366 D369 G370 W372S340-R343 PolarHBondContact O-N 2.89Å; V341-R343 PolarHBondContact O-N 3.22Å; V341-R343 VanDerWaalsContact O-N 3.12Å; R343-A345 VanDerWaalsContact C-N 3.29Å; R343-L364 PolarHBondContact NH1-O 3.19Å; R343-L364 PolarHBondContact NH2-O 2.59Å; R343-K366 PolarHBondContact NH2-O 3.09Å; R343-D369 VanDerWaalsContact CG-O 3.24Å; R343-D369 WeakPolarHBondContact CG-O 3.35Å; R343-G370 PolarHBondContact NE-O 3.22Å; R343-G370 PolarHBondContact NH2-O 3.06Å; R343-W372 VanDerWaalsContact NH1-NE1 3.18Å
344S94.3Very high96.6Very high19 Ų1934.7 Ų34.713%0.13319%0.188CC..G310 helixtrans-86.80.7173.9-75.40000113.3Q315 L319 V341 S342Q315-S344 WeakPolarHBondContact CB-OG 3.34Å; Q315-S344 PolarHBondContact OE1-OG 3.39Å; L319-S344 VanDerWaalsContact CD1-C 3.45Å; V341-S344 PolarHBondContact O-N 3.15Å; S342-S344 PolarHBondContact O-N 3.24Å
345A96.6Very high96.6Very high2 Ų232.7 Ų32.72%0.01718%0.178CC..  trans-76.3140.6-176.600000112.9L319 S342 R343 D349 I350 W353 Q376L319-A345 HydrophobicContact CD1-CB 3.89Å; S342-A345 WeakPolarHBondContact O-CB 3.49Å; S342-A345 PolarHBondContact O-N 3.11Å; R343-A345 VanDerWaalsContact C-N 3.29Å; A345-D349 HydrophobicContact CB-CB 3.92Å; A345-I350 HydrophobicContact CB-CG1 4.25Å; A345-W353 HydrophobicContact CB-CH2 3.33Å; A345-W353 HydrophobicContact CB-CZ2 3.4Å; A345-W353 VanDerWaalsContact CB-CZ2 3.4Å; A345-W353 HydrophobicContact CB-CZ3 4.48Å; A345-Q376 PolarHBondContact O-NE2 2.84Å
346T96.8Very high96.6Very high73 Ų7335.9 Ų35.945%0.44820%0.198SC..  trans-80.8168.9170.266.70000111D348 D349 I350T346-D348 PolarHBondContact O-N 3.36Å; T346-D348 PolarHBondContact OG1-N 3.33Å; T346-D349 WeakPolarHBondContact CB-OD2 3.48Å; T346-D349 PolarHBondContact N-OD2 2.86Å; T346-D349 WeakPolarHBondContact O-CB 3.32Å; T346-D349 PolarHBondContact O-N 3.46Å; T346-D349 VanDerWaalsContact OG1-CG 3.26Å; T346-D349 PolarHBondContact OG1-N 3.03Å; T346-D349 PolarHBondContact OG1-OD2 2.75Å; T346-I350 WeakPolarHBondContact O-CG1 3.37Å; T346-I350 PolarHBondContact O-N 2.92Å
347L97.9Very high96.6Very high91 Ų9137.1 Ų37.148%0.47620%0.204SC..Hα-helixtrans-60.8-31.1171-69.2173.8000112.3S351 A375 Q376 A379L347-S351 WeakPolarHBondContact O-CB 3.44Å; L347-S351 PolarHBondContact O-N 3.05Å; L347-A375 HydrophobicContact CD1-CB 4.32Å; L347-A375 HydrophobicContact CD2-CB 4.4Å; L347-Q376 HydrophobicContact CD2-CG 4.13Å; L347-A379 HydrophobicContact CD2-CB 3.98Å
348D96.6Very high96.7Very high92 Ų9236.9 Ų36.949%0.49220%0.204SC..Hα-helixtrans-66.2-42.5175.1179.958.4000111.2T346 S351 K352T346-D348 PolarHBondContact O-N 3.36Å; T346-D348 PolarHBondContact OG1-N 3.33Å; D348-S351 WeakPolarHBondContact O-CB 3.46Å; D348-S351 PolarHBondContact O-N 3.03Å; D348-S351 PolarHBondContact O-OG 2.8Å; D348-K352 WeakPolarHBondContact O-CG 3.4Å; D348-K352 IonicContact OD1-NZ 3.45Å; D348-K352 WeakPolarHBondContact OD2-CE 3.47Å; D348-K352 IonicContact OD2-NZ 3.99Å; D348-K352 PolarHBondContact OD2-NZ 3.34Å
349D97.3Very high96.8Very high13 Ų1342 Ų427%0.0723%0.231CC..Hα-helixtrans-60.4-51.3173.8-60.8-51.6000111.2N323 A345 T346 S351 K352 W353N323-D349 PolarHBondContact ND2-OD1 2.9Å; A345-D349 HydrophobicContact CB-CB 3.92Å; T346-D349 WeakPolarHBondContact CB-OD2 3.48Å; T346-D349 PolarHBondContact N-OD2 2.86Å; T346-D349 WeakPolarHBondContact O-CB 3.32Å; T346-D349 PolarHBondContact O-N 3.46Å; T346-D349 VanDerWaalsContact OG1-CG 3.26Å; T346-D349 PolarHBondContact OG1-N 3.03Å; T346-D349 PolarHBondContact OG1-OD2 2.75Å; D349-S351 PolarHBondContact O-N 2.91Å; D349-K352 WeakPolarHBondContact O-CB 3.48Å; D349-K352 PolarHBondContact O-N 3.3Å; D349-W353 HydrophobicContact CB-CZ2 4.34Å; D349-W353 PolarHBondContact O-NE1 2.87Å
350I98.2Very high97Very high2 Ų241 Ų411%0.0122%0.223CC..Hα-helixtrans-58.4-36.9179.1-65.7165.8000110.9A345 T346 K352 W353 I355 W372 Q376 A379 I380 K383A345-I350 HydrophobicContact CB-CG1 4.25Å; T346-I350 WeakPolarHBondContact O-CG1 3.37Å; T346-I350 PolarHBondContact O-N 2.92Å; I350-K352 PolarHBondContact O-N 3.24Å; I350-K352 VanDerWaalsContact O-N 3.13Å; I350-W353 HydrophobicContact CB-CE3 4.35Å; I350-W353 HydrophobicContact CG1-CE3 4.01Å; I350-W353 HydrophobicContact CG1-CH2 3.91Å; I350-W353 HydrophobicContact CG1-CZ2 4.44Å; I350-W353 HydrophobicContact CG1-CZ3 3.67Å; I350-W353 HydrophobicContact CG2-CE3 4.46Å; I350-W353 PolarHBondContact O-N 2.66Å; I350-W353 VanDerWaalsContact O-N 3.13Å; I350-I355 HydrophobicContact CG2-CD1 4.5Å; I350-W372 HydrophobicContact CD1-CZ3 4.26Å; I350-Q376 HydrophobicContact CD1-CB 3.72Å; I350-Q376 HydrophobicContact CD1-CG 3.81Å; I350-A379 HydrophobicContact CG2-CB 4.16Å; I350-I380 HydrophobicContact CD1-CD1 4.27Å; I350-I380 HydrophobicContact CD1-CG1 4.33Å; I350-I380 HydrophobicContact CG2-CG1 3.75Å; I350-K383 PolarHBondContact O-NZ 3.32Å
351S97.1Very high97.3Very high71 Ų7141 Ų4150%0.49722%0.222SC..Hα-helixtrans-61-22.6178.184.70000113.2L347 D348 D349 K383L347-S351 WeakPolarHBondContact O-CB 3.44Å; L347-S351 PolarHBondContact O-N 3.05Å; D348-S351 WeakPolarHBondContact O-CB 3.46Å; D348-S351 PolarHBondContact O-N 3.03Å; D348-S351 PolarHBondContact O-OG 2.8Å; D349-S351 PolarHBondContact O-N 2.91Å; S351-K383 VanDerWaalsContact C-NZ 3.33Å; S351-K383 PolarHBondContact O-NZ 2.8Å
352K97.3Very high97.4Very high74 Ų7442.4 Ų42.432%0.32223%0.234SC..THydrogen-bonded Turntrans-94-7.4179.9-60.9166.1-166.21640113.8G329 V330 D348 D349 I350G329-K352 CarbonylContact C-O 3.44Å; G329-K352 WeakPolarHBondContact CA-O 3.47Å; V330-K352 PolarHBondContact N-O 3.23Å; D348-K352 WeakPolarHBondContact O-CG 3.4Å; D348-K352 IonicContact OD1-NZ 3.45Å; D348-K352 WeakPolarHBondContact OD2-CE 3.47Å; D348-K352 IonicContact OD2-NZ 3.99Å; D348-K352 PolarHBondContact OD2-NZ 3.34Å; D349-K352 WeakPolarHBondContact O-CB 3.48Å; D349-K352 PolarHBondContact O-N 3.3Å; I350-K352 PolarHBondContact O-N 3.24Å; I350-K352 VanDerWaalsContact O-N 3.13Å
353W98.3Very high97.4Very high0 Ų043 Ų430%024%0.239CC..BIsolated β-bridgetrans-85.3136.9-177.8-63.7-7.5000112.6L319 V335 L338 A345 D349 I350 I355 L364 W372 K383L319-W353 HydrophobicContact CD2-CZ2 4.17Å; V335-W353 HydrophobicContact CG1-CD2 4.31Å; V335-W353 HydrophobicContact CG1-CE3 4.07Å; V335-W353 HydrophobicContact CG2-CB 3.74Å; V335-W353 HydrophobicContact CG2-CD2 4.35Å; V335-W353 HydrophobicContact CG2-CG 3.84Å; L338-W353 HydrophobicContact CD1-CH2 4.01Å; L338-W353 HydrophobicContact CD1-CZ2 3.7Å; A345-W353 HydrophobicContact CB-CH2 3.33Å; A345-W353 HydrophobicContact CB-CZ2 3.4Å; A345-W353 VanDerWaalsContact CB-CZ2 3.4Å; A345-W353 HydrophobicContact CB-CZ3 4.48Å; D349-W353 HydrophobicContact CB-CZ2 4.34Å; D349-W353 PolarHBondContact O-NE1 2.87Å; I350-W353 HydrophobicContact CB-CE3 4.35Å; I350-W353 HydrophobicContact CG1-CE3 4.01Å; I350-W353 HydrophobicContact CG1-CH2 3.91Å; I350-W353 HydrophobicContact CG1-CZ2 4.44Å; I350-W353 HydrophobicContact CG1-CZ3 3.67Å; I350-W353 HydrophobicContact CG2-CE3 4.46Å; I350-W353 PolarHBondContact O-N 2.66Å; I350-W353 VanDerWaalsContact O-N 3.13Å; W353-I355 HydrophobicContact CB-CD1 4.28Å; W353-I355 HydrophobicContact CB-CG1 4.05Å; W353-I355 HydrophobicContact CE3-CD1 4.31Å; W353-L364 HydrophobicContact CE3-CD1 4.35Å; W353-L364 HydrophobicContact CE3-CD2 4.32Å; W353-L364 HydrophobicContact CZ3-CD1 4.47Å; W353-L364 HydrophobicContact CZ3-CD2 3.82Å; W353-W372 HydrophobicContact CH2-CH2 4.22Å; W353-W372 HydrophobicContact CZ3-CH2 4.13Å; W353-K383 WeakPolarHBondContact O-CD 3.34Å; W353-K383 WeakPolarHBondContact O-CE 3.34Å; W353-K383 PolarHBondContact O-NZ 3.32Å
354N97.9Very high97.6Very high76 Ų7641.4 Ų41.441%0.40623%0.233SC..  trans-79126.8164.5-67.2-9.6000108.8V330 D332V330-N354 PolarHBondContact O-N 3.45Å; D332-N354 WeakPolarHBondContact OD2-CB 3.48Å
355I98.3Very high97.7Very high1 Ų140.9 Ų40.91%0.00523%0.229CC..  trans-135.871.3-178.4-48.3177.3000105.4I350 W353 T360 L364 I380 K383 Y384I350-I355 HydrophobicContact CG2-CD1 4.5Å; W353-I355 HydrophobicContact CB-CD1 4.28Å; W353-I355 HydrophobicContact CB-CG1 4.05Å; W353-I355 HydrophobicContact CE3-CD1 4.31Å; I355-T360 HydrophobicContact CB-CG2 4.49Å; I355-T360 HydrophobicContact CG2-CG2 4.19Å; I355-L364 HydrophobicContact CD1-CD1 3.86Å; I355-L364 HydrophobicContact CG1-CD1 4.2Å; I355-L364 HydrophobicContact CG2-CD1 4.24Å; I355-I380 HydrophobicContact CD1-CB 4.22Å; I355-I380 HydrophobicContact CD1-CG1 4.08Å; I355-I380 HydrophobicContact CD1-CG2 3.94Å; I355-I380 HydrophobicContact CG2-CG2 4.28Å; I355-K383 HydrophobicContact CB-CG 4.47Å; I355-K383 HydrophobicContact CD1-CB 4.47Å; I355-K383 HydrophobicContact CD1-CD 4.22Å; I355-K383 HydrophobicContact CG1-CD 4.34Å; I355-Y384 VanDerWaalsContact O-CA 3.22Å; I355-Y384 WeakPolarHBondContact O-CA 3Å
356T97.9Very high97.6Very high68 Ų6845.1 Ų45.142%0.41725%0.247SC..  trans-113.7-25.7-17362.20000112D332 A387 N390D332-T356 PolarHBondContact OD1-N 3.21Å; D332-T356 PolarHBondContact OD2-N 2.99Å; D332-T356 PolarHBondContact OD2-OG1 3.28Å; T356-A387 HydrophobicContact CG2-CB 4.09Å; T356-N390 PolarHBondContact O-ND2 3.32Å
357E98.3Very high97.2Very high77 Ų7747 Ų4736%0.3626%0.26SS..SBendtrans-94.7145.5-179.4-60.5177.4175.900112D332 Q336 D359 T360 L361D332-E357 HydrophobicContact CB-CG 4.43Å; D332-E357 PolarHBondContact OD1-N 3.05Å; D332-E357 VanDerWaalsContact OD1-N 3.17Å; Q336-E357 PolarHBondContact NE2-OE2 3.09Å; Q336-E357 VanDerWaalsContact NE2-OE2 3.09Å; E357-D359 PolarHBondContact O-N 2.73Å; E357-T360 WeakPolarHBondContact O-CB 3.45Å; E357-T360 PolarHBondContact O-N 3.3Å; E357-T360 VanDerWaalsContact O-N 3.11Å; E357-L361 PolarHBondContact O-N 2.99Å
358L97.9Very high96.7Very high58 Ų5847 Ų4730%0.30426%0.258SS..Hα-helixtrans-58.5-37.6175.6-176.165.7000111.4T360 L361 A362 Y384 E396 I399L358-T360 VanDerWaalsContact C-N 3.3Å; L358-T360 PolarHBondContact O-N 2.83Å; L358-L361 PolarHBondContact O-N 3.19Å; L358-A362 WeakPolarHBondContact O-CB 3.33Å; L358-A362 PolarHBondContact O-N 3.4Å; L358-Y384 WeakPolarHBondContact CD1-OH 3.3Å; L358-E396 HydrophobicContact CD1-CG 3.88Å; L358-I399 HydrophobicContact CD1-CD1 3.47Å; L358-I399 VanDerWaalsContact CD1-CD1 3.47Å; L358-I399 HydrophobicContact CD2-CD1 4.41Å; L358-I399 HydrophobicContact CG-CD1 3.84Å
359D98.2Very high96.4Very high107 Ų10743.4 Ų43.457%0.57224%0.238SC*.Hα-helixtrans-64.4-33.8178.1-72.8-18.9000112.3E357 A362 A363E357-D359 PolarHBondContact O-N 2.73Å; D359-A362 PolarHBondContact O-N 3.46Å; D359-A363 WeakPolarHBondContact O-CB 3.3Å; D359-A363 PolarHBondContact O-N 3.06Å
360T98.5Very high95.9Very high0 Ų044 Ų440%025%0.248CC..Hα-helixtrans-67.7-44.8173.6-51.70000111.4D332 V335 Q336 I355 E357 L358 A362 A363 L364D332-T360 VanDerWaalsContact CB-OG1 3.31Å; D332-T360 WeakPolarHBondContact CB-OG1 3.38Å; D332-T360 WeakPolarHBondContact OD1-CB 3.37Å; D332-T360 PolarHBondContact OD1-OG1 3.42Å; V335-T360 HydrophobicContact CB-CG2 3.98Å; V335-T360 HydrophobicContact CG1-CG2 3.68Å; Q336-T360 HydrophobicContact CG-CG2 4.32Å; Q336-T360 PolarHBondContact NE2-OG1 3.48Å; I355-T360 HydrophobicContact CB-CG2 4.49Å; I355-T360 HydrophobicContact CG2-CG2 4.19Å; E357-T360 WeakPolarHBondContact O-CB 3.45Å; E357-T360 PolarHBondContact O-N 3.3Å; E357-T360 VanDerWaalsContact O-N 3.11Å; L358-T360 VanDerWaalsContact C-N 3.3Å; L358-T360 PolarHBondContact O-N 2.83Å; T360-A362 VanDerWaalsContact C-N 3.33Å; T360-A362 PolarHBondContact O-N 2.8Å; T360-A363 PolarHBondContact O-N 2.94Å; T360-L364 HydrophobicContact CG2-CD1 4.3Å; T360-L364 WeakPolarHBondContact O-CG 3.49Å; T360-L364 PolarHBondContact O-N 3.18Å
361L98.6Very high95.5Very high1 Ų150.2 Ų50.21%0.00529%0.286CS..Hα-helixtrans-60.6-45.5174.1-176.865.6000110.6E357 L358 A363 L364 M365 I380 I381 Y384 E396 I399 I400E357-L361 PolarHBondContact O-N 2.99Å; L358-L361 PolarHBondContact O-N 3.19Å; L361-A363 PolarHBondContact O-N 2.68Å; L361-L364 PolarHBondContact O-N 3.21Å; L361-M365 HydrophobicContact CD1-CE 3.82Å; L361-M365 HydrophobicContact CD1-CG 3.96Å; L361-M365 HydrophobicContact CG-CG 4.3Å; L361-M365 WeakPolarHBondContact O-CB 3.42Å; L361-M365 VanDerWaalsContact O-CG 3.25Å; L361-M365 WeakPolarHBondContact O-CG 3.33Å; L361-M365 PolarHBondContact O-N 2.8Å; L361-I380 HydrophobicContact CD1-CG2 4.04Å; L361-I381 HydrophobicContact CD1-CG1 4.36Å; L361-Y384 HydrophobicContact CB-CD2 4.03Å; L361-Y384 HydrophobicContact CB-CE2 4.28Å; L361-Y384 HydrophobicContact CB-CG 4.41Å; L361-Y384 HydrophobicContact CD2-CD1 3.82Å; L361-Y384 HydrophobicContact CD2-CD2 4.23Å; L361-Y384 HydrophobicContact CD2-CE1 3.98Å; L361-Y384 HydrophobicContact CD2-CE2 4.36Å; L361-Y384 HydrophobicContact CD2-CG 3.95Å; L361-E396 HydrophobicContact CD2-CG 4.3Å; L361-I399 HydrophobicContact CD2-CG2 4.29Å; L361-I399 HydrophobicContact CG-CG2 3.91Å; L361-I400 HydrophobicContact CD1-CG2 4.21Å; L361-I400 HydrophobicContact CD2-CG2 3.95Å; L361-I400 HydrophobicContact CG-CG2 4.29Å
362A98.1Very high95.4Very high30 Ų3047.8 Ų47.825%0.24827%0.266CS..Hα-helixtrans-59.7-44.6177.500000112.3L358 D359 T360 L364 M365 K366 I399L358-A362 WeakPolarHBondContact O-CB 3.33Å; L358-A362 PolarHBondContact O-N 3.4Å; D359-A362 PolarHBondContact O-N 3.46Å; T360-A362 VanDerWaalsContact C-N 3.33Å; T360-A362 PolarHBondContact O-N 2.8Å; A362-L364 VanDerWaalsContact C-N 3.34Å; A362-L364 PolarHBondContact O-N 2.75Å; A362-M365 PolarHBondContact O-N 3.5Å; A362-K366 PolarHBondContact O-N 3.14Å; A362-I399 HydrophobicContact CB-CD1 3.88Å; A362-I399 HydrophobicContact CB-CG1 4.14Å; A362-I399 HydrophobicContact CB-CG2 4.26Å
363A97.8Very high95.2Very high13 Ų1350.6 Ų50.611%0.10728%0.281CS..Hα-helixtrans-62.2-41.2176.900000112Q336 D359 T360 L361Q336-A363 HydrophobicContact CB-CB 4.19Å; Q336-A363 HydrophobicContact CG-CB 4.16Å; D359-A363 WeakPolarHBondContact O-CB 3.3Å; D359-A363 PolarHBondContact O-N 3.06Å; T360-A363 PolarHBondContact O-N 2.94Å; L361-A363 PolarHBondContact O-N 2.68Å
364L98.1Very high95Very high2 Ų255 Ų551%0.0131%0.308CS..Hα-helixtrans-73-29.5179.1-70172.5000113V335 R343 W353 I355 T360 L361 A362 W372 I380V335-L364 HydrophobicContact CG1-CD1 3.81Å; V335-L364 HydrophobicContact CG1-CD2 3.86Å; V335-L364 HydrophobicContact CG1-CG 4.01Å; R343-L364 PolarHBondContact NH1-O 3.19Å; R343-L364 PolarHBondContact NH2-O 2.59Å; W353-L364 HydrophobicContact CE3-CD1 4.35Å; W353-L364 HydrophobicContact CE3-CD2 4.32Å; W353-L364 HydrophobicContact CZ3-CD1 4.47Å; W353-L364 HydrophobicContact CZ3-CD2 3.82Å; I355-L364 HydrophobicContact CD1-CD1 3.86Å; I355-L364 HydrophobicContact CG1-CD1 4.2Å; I355-L364 HydrophobicContact CG2-CD1 4.24Å; T360-L364 HydrophobicContact CG2-CD1 4.3Å; T360-L364 WeakPolarHBondContact O-CG 3.49Å; T360-L364 PolarHBondContact O-N 3.18Å; L361-L364 PolarHBondContact O-N 3.21Å; A362-L364 VanDerWaalsContact C-N 3.34Å; A362-L364 PolarHBondContact O-N 2.75Å; L364-W372 HydrophobicContact CB-CZ2 4.39Å; L364-W372 HydrophobicContact CD2-CZ2 4.04Å; L364-W372 PolarHBondContact O-NE1 3Å; L364-I380 HydrophobicContact CB-CG2 4.45Å; L364-I380 HydrophobicContact CD1-CD1 4.48Å; L364-I380 HydrophobicContact CD1-CG1 4.47Å; L364-I380 HydrophobicContact CD1-CG2 3.78Å
365M96.7Very high95Very high8 Ų853.9 Ų53.94%0.03931%0.309CS..THydrogen-bonded Turntrans-92.35.9-175.1-63.1-62.1157.400114.7L361 A362 P367 I380 I381 I399 I400 N403L361-M365 HydrophobicContact CD1-CE 3.82Å; L361-M365 HydrophobicContact CD1-CG 3.96Å; L361-M365 HydrophobicContact CG-CG 4.3Å; L361-M365 WeakPolarHBondContact O-CB 3.42Å; L361-M365 VanDerWaalsContact O-CG 3.25Å; L361-M365 WeakPolarHBondContact O-CG 3.33Å; L361-M365 PolarHBondContact O-N 2.8Å; A362-M365 PolarHBondContact O-N 3.5Å; M365-P367 WeakPolarHBondContact O-CD 3.1Å; M365-I380 HydrophobicContact CE-CB 3.9Å; M365-I380 HydrophobicContact CE-CD1 4.41Å; M365-I380 HydrophobicContact CE-CG2 3.34Å; M365-I381 HydrophobicContact CE-CD1 4.31Å; M365-I381 HydrophobicContact CE-CG1 3.76Å; M365-I399 HydrophobicContact CB-CG2 3.77Å; M365-I399 WeakPolarHBondContact CB-O 3.47Å; M365-I399 HydrophobicContact CG-CG2 4.03Å; M365-I400 HydrophobicContact CG-CG2 4.26Å; M365-N403 HydrophobicContact SD-CB 4.06Å
366K93Very high95Very high90 Ų9054.7 Ų54.739%0.39131%0.313SS..  trans-56.9118.8175.4-79.9175.8-175172.90112.3R343 A362 E368 D369R343-K366 PolarHBondContact NH2-O 3.09Å; A362-K366 PolarHBondContact O-N 3.14Å; K366-E368 HydrophobicContact CB-CG 4.11Å; K366-E368 PolarHBondContact O-N 3.49Å; K366-D369 HydrophobicContact CB-CB 4.47Å; K366-D369 PolarHBondContact O-N 3.39Å
367P89.2Confident95Very high113 Ų11351.6 Ų51.673%0.73429%0.294SS*.G310 helixtrans-66.7-26.8-179.824-31.6000112.6M365 D369 G370M365-P367 WeakPolarHBondContact O-CD 3.1Å; P367-D369 PolarHBondContact O-N 3.08Å; P367-G370 PolarHBondContact O-N 2.88Å
368E87.5Confident95Very high92 Ų9251.1 Ų51.143%0.4329%0.291SS..G310 helixtrans-63.7-21.6176.859.2-96.1-138.900114.2K244 K366 G370K244-E368 WeakPolarHBondContact CG-O 3.22Å; K366-E368 HydrophobicContact CB-CG 4.11Å; K366-E368 PolarHBondContact O-N 3.49Å; E368-G370 VanDerWaalsContact C-N 3.33Å
369D89.4Confident95Very high15 Ų1550 Ų508%0.0829%0.29CS..G310 helixtrans-87.6-5.1-178.6-77-35.6000113.1A339 S340 R343 K366 P367A339-D369 VanDerWaalsContact CA-OD2 3.28Å; A339-D369 WeakPolarHBondContact CA-OD2 3.47Å; S340-D369 WeakPolarHBondContact CB-O 3.47Å; S340-D369 PolarHBondContact N-OD1 3.06Å; R343-D369 VanDerWaalsContact CG-O 3.24Å; R343-D369 WeakPolarHBondContact CG-O 3.35Å; K366-D369 HydrophobicContact CB-CB 4.47Å; K366-D369 PolarHBondContact O-N 3.39Å; P367-D369 PolarHBondContact O-N 3.08Å
370G88Confident95Very high27 Ų2744.9 Ų44.928%0.27826%0.263SS..  trans110.9173.2-17900000112.7R343 P367 E368R343-G370 PolarHBondContact NE-O 3.22Å; R343-G370 PolarHBondContact NH2-O 3.06Å; P367-G370 PolarHBondContact O-N 2.88Å; E368-G370 VanDerWaalsContact C-N 3.33Å
371T89.4Confident95Very high132 Ų13245 Ų4581%0.8126%0.263SS*.PPolyproline II helixtrans-88.1146.4-179.654.20000111.3
372W94.4Very high95Very high19 Ų1947 Ų477%0.07228%0.276CS..PPolyproline II helixtrans-85.6150.6168.5-72.9113.9000111.4S342 R343 I350 W353 L364 Q376 I380S342-W372 VanDerWaalsContact C-CH2 3.46Å; S342-W372 WeakPolarHBondContact O-CH2 3.45Å; S342-W372 VanDerWaalsContact O-CZ3 3.23Å; S342-W372 WeakPolarHBondContact O-CZ3 3.16Å; R343-W372 VanDerWaalsContact NH1-NE1 3.18Å; I350-W372 HydrophobicContact CD1-CZ3 4.26Å; W353-W372 HydrophobicContact CH2-CH2 4.22Å; W353-W372 HydrophobicContact CZ3-CH2 4.13Å; L364-W372 HydrophobicContact CB-CZ2 4.39Å; L364-W372 HydrophobicContact CD2-CZ2 4.04Å; L364-W372 PolarHBondContact O-NE1 3Å; W372-Q376 HydrophobicContact CD2-CB 4.49Å; W372-Q376 HydrophobicContact CE3-CB 3.71Å; W372-Q376 HydrophobicContact CE3-CG 4.39Å; W372-Q376 HydrophobicContact CZ3-CB 4.24Å; W372-I380 HydrophobicContact CD2-CD1 3.88Å; W372-I380 VanDerWaalsContact CE2-CD1 3.47Å; W372-I380 HydrophobicContact CE3-CD1 4.14Å; W372-I380 HydrophobicContact CH2-CD1 3.64Å; W372-I380 HydrophobicContact CZ2-CD1 3.36Å; W372-I380 HydrophobicContact CZ3-CD1 4.04Å
373E94.2Very high95Very high134 Ų13448.4 Ų48.463%0.62628%0.276SS*.PPolyproline II helixtrans-69.6152.4159.8-61.6-177.417300110.1A375 Q376 S377E373-A375 VanDerWaalsContact C-N 3.28Å; E373-A375 PolarHBondContact O-N 3.41Å; E373-Q376 HydrophobicContact CB-CG 4.24Å; E373-Q376 VanDerWaalsContact CB-OE1 3.31Å; E373-Q376 PolarHBondContact O-N 2.95Å; E373-Q376 VanDerWaalsContact O-N 3.08Å; E373-S377 PolarHBondContact O-N 2.74Å; E373-S377 PolarHBondContact O-OG 2.78Å
374T94.2Very high95Very high92 Ų9248 Ų4856%0.56427%0.272SS*.Hα-helixtrans-56.1-41.1-177.6-50.80000112.4S377 K378T374-S377 WeakPolarHBondContact CA-OG 3.38Å; T374-S377 PolarHBondContact O-OG 3.32Å; T374-S377 VanDerWaalsContact O-OG 3.08Å; T374-K378 WeakPolarHBondContact O-CB 3.31Å; T374-K378 PolarHBondContact O-N 2.91Å
375A97.4Very high95Very high53 Ų5349.9 Ų49.944%0.43828%0.282SS..Hα-helixtrans-67.7-37.3178.900000112.6L347 E373 A379L347-A375 HydrophobicContact CD1-CB 4.32Å; L347-A375 HydrophobicContact CD2-CB 4.4Å; E373-A375 VanDerWaalsContact C-N 3.28Å; E373-A375 PolarHBondContact O-N 3.41Å; A375-A379 WeakPolarHBondContact O-CB 3.33Å; A375-A379 PolarHBondContact O-N 2.89Å
376Q98.1Very high95.1Very high17 Ų1757.6 Ų57.68%0.07932%0.315CS..Hα-helixtrans-70.9-49.3180-66.7167.4-36.200111.4A345 L347 I350 W372 E373 K378 A379 I380A345-Q376 PolarHBondContact O-NE2 2.84Å; L347-Q376 HydrophobicContact CD2-CG 4.13Å; I350-Q376 HydrophobicContact CD1-CB 3.72Å; I350-Q376 HydrophobicContact CD1-CG 3.81Å; W372-Q376 HydrophobicContact CD2-CB 4.49Å; W372-Q376 HydrophobicContact CE3-CB 3.71Å; W372-Q376 HydrophobicContact CE3-CG 4.39Å; W372-Q376 HydrophobicContact CZ3-CB 4.24Å; E373-Q376 HydrophobicContact CB-CG 4.24Å; E373-Q376 VanDerWaalsContact CB-OE1 3.31Å; E373-Q376 PolarHBondContact O-N 2.95Å; E373-Q376 VanDerWaalsContact O-N 3.08Å; Q376-K378 VanDerWaalsContact C-N 3.33Å; Q376-K378 PolarHBondContact O-N 3.28Å; Q376-A379 WeakPolarHBondContact O-CB 3.25Å; Q376-A379 PolarHBondContact O-N 2.71Å; Q376-A379 VanDerWaalsContact O-N 3.15Å; Q376-I380 WeakPolarHBondContact O-CG1 3.04Å; Q376-I380 PolarHBondContact O-N 3.16Å
377S97.8Very high95.3Very high3 Ų354.3 Ų54.32%0.02131%0.305CS..Hα-helixtrans-58.9-44.6176.145.10000111.4E373 T374 A379 I380 I381 S406E373-S377 PolarHBondContact O-N 2.74Å; E373-S377 PolarHBondContact O-OG 2.78Å; T374-S377 WeakPolarHBondContact CA-OG 3.38Å; T374-S377 PolarHBondContact O-OG 3.32Å; T374-S377 VanDerWaalsContact O-OG 3.08Å; S377-A379 VanDerWaalsContact C-N 3.34Å; S377-A379 PolarHBondContact O-N 3.1Å; S377-I380 PolarHBondContact O-N 3.09Å; S377-I381 VanDerWaalsContact O-CG1 3.28Å; S377-I381 WeakPolarHBondContact O-CG1 3.29Å; S377-I381 PolarHBondContact O-N 3.27Å; S377-S406 VanDerWaalsContact OG-CB 3.25Å; S377-S406 WeakPolarHBondContact OG-CB 3.34Å
378K98.1Very high95.5Very high67 Ų6755.2 Ų55.229%0.29131%0.314SS..Hα-helixtrans-56.7-47173.5-175.5176-176168.30111.8T374 Q376 T382 S406 D408T374-K378 WeakPolarHBondContact O-CB 3.31Å; T374-K378 PolarHBondContact O-N 2.91Å; Q376-K378 VanDerWaalsContact C-N 3.33Å; Q376-K378 PolarHBondContact O-N 3.28Å; K378-T382 WeakPolarHBondContact O-CB 3.15Å; K378-T382 PolarHBondContact O-N 3.06Å; K378-T382 PolarHBondContact O-OG1 2.7Å; K378-S406 WeakPolarHBondContact CD-O 3.44Å; K378-S406 WeakPolarHBondContact CG-O 3.45Å; K378-S406 PolarHBondContact N-OG 3.48Å; K378-D408 VanDerWaalsContact CE-OD2 3.31Å; K378-D408 WeakPolarHBondContact CE-OD2 3.45Å; K378-D408 IonicContact NZ-OD1 3.09Å; K378-D408 PolarHBondContact NZ-OD1 3.18Å; K378-D408 IonicContact NZ-OD2 2.91Å; K378-D408 PolarHBondContact NZ-OD2 3.19Å
379A98.4Very high95.9Very high35 Ų3554.5 Ų54.529%0.28933%0.331SS..Hα-helixtrans-62.1-43.6179.700000112.1L347 I350 A375 Q376 S377 K383L347-A379 HydrophobicContact CD2-CB 3.98Å; I350-A379 HydrophobicContact CG2-CB 4.16Å; A375-A379 WeakPolarHBondContact O-CB 3.33Å; A375-A379 PolarHBondContact O-N 2.89Å; Q376-A379 WeakPolarHBondContact O-CB 3.25Å; Q376-A379 PolarHBondContact O-N 2.71Å; Q376-A379 VanDerWaalsContact O-N 3.15Å; S377-A379 VanDerWaalsContact C-N 3.34Å; S377-A379 PolarHBondContact O-N 3.1Å; A379-K383 VanDerWaalsContact O-CB 3.29Å; A379-K383 WeakPolarHBondContact O-CB 3.27Å; A379-K383 PolarHBondContact O-N 3.19Å
380I98.7Very high96.3Very high0 Ų055.7 Ų55.70%034%0.337CS..Hα-helixtrans-62.2-53.6178.1-69.3163.5000110.9I350 I355 L361 L364 M365 W372 Q376 S377 T382 K383 Y384I350-I380 HydrophobicContact CD1-CD1 4.27Å; I350-I380 HydrophobicContact CD1-CG1 4.33Å; I350-I380 HydrophobicContact CG2-CG1 3.75Å; I355-I380 HydrophobicContact CD1-CB 4.22Å; I355-I380 HydrophobicContact CD1-CG1 4.08Å; I355-I380 HydrophobicContact CD1-CG2 3.94Å; I355-I380 HydrophobicContact CG2-CG2 4.28Å; L361-I380 HydrophobicContact CD1-CG2 4.04Å; L364-I380 HydrophobicContact CB-CG2 4.45Å; L364-I380 HydrophobicContact CD1-CD1 4.48Å; L364-I380 HydrophobicContact CD1-CG1 4.47Å; L364-I380 HydrophobicContact CD1-CG2 3.78Å; M365-I380 HydrophobicContact CE-CB 3.9Å; M365-I380 HydrophobicContact CE-CD1 4.41Å; M365-I380 HydrophobicContact CE-CG2 3.34Å; W372-I380 HydrophobicContact CD2-CD1 3.88Å; W372-I380 VanDerWaalsContact CE2-CD1 3.47Å; W372-I380 HydrophobicContact CE3-CD1 4.14Å; W372-I380 HydrophobicContact CH2-CD1 3.64Å; W372-I380 HydrophobicContact CZ2-CD1 3.36Å; W372-I380 HydrophobicContact CZ3-CD1 4.04Å; Q376-I380 WeakPolarHBondContact O-CG1 3.04Å; Q376-I380 PolarHBondContact O-N 3.16Å; S377-I380 PolarHBondContact O-N 3.09Å; I380-T382 PolarHBondContact O-N 2.78Å; I380-K383 WeakPolarHBondContact O-CB 3.24Å; I380-K383 PolarHBondContact O-N 3.06Å; I380-Y384 PolarHBondContact O-N 3.29Å
381I98.6Very high96.7Very high1 Ų156.6 Ų56.61%0.00534%0.339CS..Hα-helixtrans-66-42.1-176.3-59.2164.1000110.3L361 M365 S377 K383 Y384 L385 I400 N403 L407L361-I381 HydrophobicContact CD1-CG1 4.36Å; M365-I381 HydrophobicContact CE-CD1 4.31Å; M365-I381 HydrophobicContact CE-CG1 3.76Å; S377-I381 VanDerWaalsContact O-CG1 3.28Å; S377-I381 WeakPolarHBondContact O-CG1 3.29Å; S377-I381 PolarHBondContact O-N 3.27Å; I381-K383 VanDerWaalsContact C-N 3.26Å; I381-K383 PolarHBondContact O-N 3.05Å; I381-Y384 WeakPolarHBondContact O-CB 3.35Å; I381-Y384 PolarHBondContact O-N 3.48Å; I381-L385 HydrophobicContact CG2-CD1 3.94Å; I381-L385 HydrophobicContact CG2-CG 4.26Å; I381-L385 WeakPolarHBondContact O-CG 3.37Å; I381-L385 PolarHBondContact O-N 2.83Å; I381-I400 HydrophobicContact CD1-CB 4.09Å; I381-I400 HydrophobicContact CD1-CD1 4.41Å; I381-I400 HydrophobicContact CD1-CG2 3.99Å; I381-I400 HydrophobicContact CG1-CG2 3.96Å; I381-N403 HydrophobicContact CD1-CB 4.07Å; I381-L407 HydrophobicContact CB-CD2 3.96Å; I381-L407 HydrophobicContact CD1-CD2 4.32Å; I381-L407 HydrophobicContact CG2-CD1 4.07Å; I381-L407 HydrophobicContact CG2-CD2 3.75Å; I381-L407 HydrophobicContact CG2-CG 4.41Å
382T98.1Very high97.1Very high45 Ų4550.6 Ų50.628%0.27630%0.302SS..Hα-helixtrans-62-36.1176.7-58.60000111.6K378 I380 K386K378-T382 WeakPolarHBondContact O-CB 3.15Å; K378-T382 PolarHBondContact O-N 3.06Å; K378-T382 PolarHBondContact O-OG1 2.7Å; I380-T382 PolarHBondContact O-N 2.78Å; T382-K386 HydrophobicContact CG2-CD 4.38Å; T382-K386 VanDerWaalsContact O-CG 3.3Å; T382-K386 WeakPolarHBondContact O-CG 3.46Å; T382-K386 PolarHBondContact O-N 2.89Å
383K98.1Very high97.2Very high58 Ų5853 Ų5325%0.25232%0.317SS..Hα-helixtrans-67.1-42.7177-166.9166.1-166.8173.30111.5I350 S351 W353 I355 A379 I380 I381 K386I350-K383 PolarHBondContact O-NZ 3.32Å; S351-K383 VanDerWaalsContact C-NZ 3.33Å; S351-K383 PolarHBondContact O-NZ 2.8Å; W353-K383 WeakPolarHBondContact O-CD 3.34Å; W353-K383 WeakPolarHBondContact O-CE 3.34Å; W353-K383 PolarHBondContact O-NZ 3.32Å; I355-K383 HydrophobicContact CB-CG 4.47Å; I355-K383 HydrophobicContact CD1-CB 4.47Å; I355-K383 HydrophobicContact CD1-CD 4.22Å; I355-K383 HydrophobicContact CG1-CD 4.34Å; A379-K383 VanDerWaalsContact O-CB 3.29Å; A379-K383 WeakPolarHBondContact O-CB 3.27Å; A379-K383 PolarHBondContact O-N 3.19Å; I380-K383 WeakPolarHBondContact O-CB 3.24Å; I380-K383 PolarHBondContact O-N 3.06Å; I381-K383 VanDerWaalsContact C-N 3.26Å; I381-K383 PolarHBondContact O-N 3.05Å; K383-K386 PolarHBondContact O-N 3.19Å
384Y98.6Very high97.3Very high5 Ų548.2 Ų48.22%0.0230%0.298CS..Hα-helixtrans-58-48.7172.4177.3-95.1000112.5I355 L358 L361 I380 I381 K386 A387 N390 E396I355-Y384 VanDerWaalsContact O-CA 3.22Å; I355-Y384 WeakPolarHBondContact O-CA 3Å; L358-Y384 WeakPolarHBondContact CD1-OH 3.3Å; L361-Y384 HydrophobicContact CB-CD2 4.03Å; L361-Y384 HydrophobicContact CB-CE2 4.28Å; L361-Y384 HydrophobicContact CB-CG 4.41Å; L361-Y384 HydrophobicContact CD2-CD1 3.82Å; L361-Y384 HydrophobicContact CD2-CD2 4.23Å; L361-Y384 HydrophobicContact CD2-CE1 3.98Å; L361-Y384 HydrophobicContact CD2-CE2 4.36Å; L361-Y384 HydrophobicContact CD2-CG 3.95Å; I380-Y384 PolarHBondContact O-N 3.29Å; I381-Y384 WeakPolarHBondContact O-CB 3.35Å; I381-Y384 PolarHBondContact O-N 3.48Å; Y384-K386 PolarHBondContact O-N 3.23Å; Y384-A387 WeakPolarHBondContact O-CB 3.23Å; Y384-A387 PolarHBondContact O-N 3.15Å; Y384-A387 VanDerWaalsContact O-N 3.14Å; Y384-N390 HydrophobicContact CD1-CB 4.09Å; Y384-N390 WeakPolarHBondContact CD2-ND2 3.35Å; Y384-N390 HydrophobicContact CE1-CB 3.7Å; Y384-N390 WeakPolarHBondContact CE2-ND2 3.23Å; Y384-N390 WeakPolarHBondContact O-CB 3.49Å; Y384-N390 PolarHBondContact O-ND2 3.46Å; Y384-E396 HydrophobicContact CE1-CG 3.58Å; Y384-E396 PolarHBondContact OH-OE1 3.46Å
385L98.3Very high97.4Very high42 Ų4246.6 Ų46.622%0.2229%0.291CS..Hα-helixtrans-68.5-17.4-178.4-66.2175000114I381 A387 L392 T411I381-L385 HydrophobicContact CG2-CD1 3.94Å; I381-L385 HydrophobicContact CG2-CG 4.26Å; I381-L385 WeakPolarHBondContact O-CG 3.37Å; I381-L385 PolarHBondContact O-N 2.83Å; L385-A387 VanDerWaalsContact C-N 3.35Å; L385-L392 HydrophobicContact CD1-CD1 4.44Å; L385-L392 HydrophobicContact CD1-CD2 4.15Å; L385-L392 HydrophobicContact CD1-CG 4.12Å; L385-L392 HydrophobicContact CD2-CD2 4.03Å; L385-L392 HydrophobicContact CD2-CG 4.01Å; L385-T411 HydrophobicContact CD1-CG2 3.84Å
386K97.2Very high97.5Very high169 Ų16944.9 Ų44.974%0.73527%0.274SS*.THydrogen-bonded Turntrans-78.8-18.6174.5-79172.5178.1177.50113.2T382 K383 Y384T382-K386 HydrophobicContact CG2-CD 4.38Å; T382-K386 VanDerWaalsContact O-CG 3.3Å; T382-K386 WeakPolarHBondContact O-CG 3.46Å; T382-K386 PolarHBondContact O-N 2.89Å; K383-K386 PolarHBondContact O-N 3.19Å; Y384-K386 PolarHBondContact O-N 3.23Å
387A97.1Very high97.4Very high22 Ų2244.1 Ų44.118%0.18227%0.27CS..SBendtrans-71.5139.8175.800000109.9T356 Y384 L385 G389 N390T356-A387 HydrophobicContact CG2-CB 4.09Å; Y384-A387 WeakPolarHBondContact O-CB 3.23Å; Y384-A387 PolarHBondContact O-N 3.15Å; Y384-A387 VanDerWaalsContact O-N 3.14Å; L385-A387 VanDerWaalsContact C-N 3.35Å; A387-G389 PolarHBondContact O-N 2.86Å; A387-N390 PolarHBondContact O-N 2.97Å
388S94.9Very high97.4Very high131 Ų13146.3 Ų46.392%0.91628%0.281SS*.THydrogen-bonded Turntrans-60.9127.1-175.3179.30000111.3
389G94.4Very high97.3Very high77 Ų7745 Ų4579%0.79428%0.277SS*.THydrogen-bonded Turntrans92.9-7.5177.300000114.8A387A387-G389 PolarHBondContact O-N 2.86Å
390N97.7Very high97.3Very high40 Ų4043.4 Ų43.421%0.21426%0.264CS..  trans-84.1141.1178.4-69.5-0.2000111.4T356 Y384 A387T356-N390 PolarHBondContact O-ND2 3.32Å; Y384-N390 HydrophobicContact CD1-CB 4.09Å; Y384-N390 WeakPolarHBondContact CD2-ND2 3.35Å; Y384-N390 HydrophobicContact CE1-CB 3.7Å; Y384-N390 WeakPolarHBondContact CE2-ND2 3.23Å; Y384-N390 WeakPolarHBondContact O-CB 3.49Å; Y384-N390 PolarHBondContact O-ND2 3.46Å; A387-N390 PolarHBondContact O-N 2.97Å
391S96.9Very high97Very high46 Ų4645.3 Ų45.332%0.32227%0.274SS..  trans-150.1168-177.8112.10000110.7D393 E396S391-D393 PolarHBondContact O-N 3.25Å; S391-D393 VanDerWaalsContact O-N 3.09Å; S391-D393 PolarHBondContact OG-OD1 3.19Å; S391-D393 PolarHBondContact OG-OD2 2.97Å; S391-E396 VanDerWaalsContact O-CD 3.26Å; S391-E396 VanDerWaalsContact O-CG 3.25Å; S391-E396 WeakPolarHBondContact O-CG 3.34Å
392L97.3Very high96.6Very high6 Ų647.5 Ų47.53%0.03129%0.289CS..  trans-84.466.4175-70.2177.9000111.2L385 L397 I400 L407 T411 I415L385-L392 HydrophobicContact CD1-CD1 4.44Å; L385-L392 HydrophobicContact CD1-CD2 4.15Å; L385-L392 HydrophobicContact CD1-CG 4.12Å; L385-L392 HydrophobicContact CD2-CD2 4.03Å; L385-L392 HydrophobicContact CD2-CG 4.01Å; L392-L397 HydrophobicContact CB-CD2 4.34Å; L392-I400 HydrophobicContact CD2-CD1 3.84Å; L392-L407 HydrophobicContact CD1-CD1 3.88Å; L392-L407 HydrophobicContact CD2-CD1 4.34Å; L392-T411 HydrophobicContact CD1-CG2 4.02Å; L392-I415 HydrophobicContact CB-CG1 3.89Å; L392-I415 HydrophobicContact CD1-CD1 4.27Å; L392-I415 HydrophobicContact CD1-CG1 3.89Å
393D96.8Very high96.4Very high70 Ų7046.6 Ų46.637%0.37428%0.283SS..  trans-83.1175.5174.3-74.4-46.9000112.4S391 S395 E396 L397 S419S391-D393 PolarHBondContact O-N 3.25Å; S391-D393 VanDerWaalsContact O-N 3.09Å; S391-D393 PolarHBondContact OG-OD1 3.19Å; S391-D393 PolarHBondContact OG-OD2 2.97Å; D393-S395 PolarHBondContact O-N 3.48Å; D393-S395 VanDerWaalsContact O-N 3.16Å; D393-E396 WeakPolarHBondContact CB-OE2 3.46Å; D393-E396 PolarHBondContact O-N 3.11Å; D393-L397 VanDerWaalsContact O-CG 3.3Å; D393-L397 WeakPolarHBondContact O-CG 3.28Å; D393-L397 PolarHBondContact O-N 3.44Å; D393-S419 PolarHBondContact OD1-OG 3.49Å
394S96.9Very high96.3Very high33 Ų3343.8 Ų43.823%0.23127%0.271CS..Hα-helixtrans-56.4-34.9-173.262.50000113.5N398 S419S394-N398 WeakPolarHBondContact O-CB 3.42Å; S394-N398 PolarHBondContact O-N 2.76Å; S394-N398 PolarHBondContact O-ND2 3.16Å; S394-S419 WeakPolarHBondContact CB-O 3.29Å
395S97.2Very high96Very high59 Ų5944.1 Ų44.141%0.41327%0.274SS..Hα-helixtrans-66.7-49.2177.5-64.70000111.8D393 L397 N398 I399D393-S395 PolarHBondContact O-N 3.48Å; D393-S395 VanDerWaalsContact O-N 3.16Å; S395-L397 PolarHBondContact O-N 2.59Å; S395-N398 PolarHBondContact O-N 3.05Å; S395-I399 WeakPolarHBondContact O-CD1 3.39Å; S395-I399 VanDerWaalsContact O-CG1 3.31Å; S395-I399 WeakPolarHBondContact O-CG1 3.41Å; S395-I399 PolarHBondContact O-N 2.91Å
396E97.9Very high95.9Very high17 Ų1742.6 Ų42.68%0.07927%0.266CS..Hα-helixtrans-60.5-46.1177.7-7479.4179.300111.3L358 L361 Y384 S391 D393 N398 I399 I400L358-E396 HydrophobicContact CD1-CG 3.88Å; L361-E396 HydrophobicContact CD2-CG 4.3Å; Y384-E396 HydrophobicContact CE1-CG 3.58Å; Y384-E396 PolarHBondContact OH-OE1 3.46Å; S391-E396 VanDerWaalsContact O-CD 3.26Å; S391-E396 VanDerWaalsContact O-CG 3.25Å; S391-E396 WeakPolarHBondContact O-CG 3.34Å; D393-E396 WeakPolarHBondContact CB-OE2 3.46Å; D393-E396 PolarHBondContact O-N 3.11Å; E396-N398 VanDerWaalsContact C-N 3.33Å; E396-N398 PolarHBondContact O-N 3.44Å; E396-I399 WeakPolarHBondContact O-CB 3.49Å; E396-I399 PolarHBondContact O-N 3.45Å; E396-I399 VanDerWaalsContact O-N 3.1Å; E396-I400 WeakPolarHBondContact O-CG1 3.43Å; E396-I400 WeakPolarHBondContact O-CG2 3.42Å; E396-I400 PolarHBondContact O-N 2.91Å
397L97.6Very high95.9Very high1 Ų134.6 Ų34.61%0.00523%0.232CC..Hα-helixtrans-60-43.8177.7-68.7171.9000111.4L392 D393 S395 I399 I400 D401 L404 I415 T423 L426L392-L397 HydrophobicContact CB-CD2 4.34Å; D393-L397 VanDerWaalsContact O-CG 3.3Å; D393-L397 WeakPolarHBondContact O-CG 3.28Å; D393-L397 PolarHBondContact O-N 3.44Å; S395-L397 PolarHBondContact O-N 2.59Å; L397-I399 PolarHBondContact O-N 2.84Å; L397-I400 HydrophobicContact CD2-CD1 4.37Å; L397-D401 PolarHBondContact O-N 3.18Å; L397-L404 HydrophobicContact CD2-CD1 3.71Å; L397-I415 HydrophobicContact CD1-CG1 4.49Å; L397-I415 HydrophobicContact CD1-CG2 3.77Å; L397-I415 HydrophobicContact CD2-CD1 3.7Å; L397-I415 HydrophobicContact CD2-CG1 4.08Å; L397-T423 HydrophobicContact CB-CG2 3.42Å; L397-T423 VanDerWaalsContact CB-CG2 3.42Å; L397-T423 HydrophobicContact CD1-CG2 3.58Å; L397-T423 HydrophobicContact CG-CG2 4.14Å; L397-L426 HydrophobicContact CB-CD1 4.25Å; L397-L426 HydrophobicContact CB-CD2 4.19Å; L397-L426 HydrophobicContact CD2-CD1 4.38Å; L397-L426 VanDerWaalsContact O-CD2 3.32Å; L397-L426 WeakPolarHBondContact O-CD2 3.42Å
398N96.5Very high95.9Very high48 Ų4837.2 Ų37.226%0.25724%0.242SC..Hα-helixtrans-62.8-32.1176-72.4-25.3000113.1S394 S395 E396 T423 K424S394-N398 WeakPolarHBondContact O-CB 3.42Å; S394-N398 PolarHBondContact O-N 2.76Å; S394-N398 PolarHBondContact O-ND2 3.16Å; S395-N398 PolarHBondContact O-N 3.05Å; E396-N398 VanDerWaalsContact C-N 3.33Å; E396-N398 PolarHBondContact O-N 3.44Å; N398-T423 WeakPolarHBondContact OD1-CA 3.42Å; N398-T423 WeakPolarHBondContact OD1-CB 3.43Å; N398-K424 HydrophobicContact CB-CD 4.37Å; N398-K424 WeakPolarHBondContact O-CE 2.99Å; N398-K424 PolarHBondContact O-NZ 3.26Å; N398-K424 VanDerWaalsContact OD1-CG 3.3Å; N398-K424 WeakPolarHBondContact OD1-CG 3.22Å; N398-K424 PolarHBondContact OD1-N 2.98Å
399I97Very high95.9Very high41 Ų4133.6 Ų33.621%0.2122%0.215CC..Hα-helixtrans-76.9-50.9179.3-76.5161.7000111.3L358 L361 A362 M365 S395 E396 L397L358-I399 HydrophobicContact CD1-CD1 3.47Å; L358-I399 VanDerWaalsContact CD1-CD1 3.47Å; L358-I399 HydrophobicContact CD2-CD1 4.41Å; L358-I399 HydrophobicContact CG-CD1 3.84Å; L361-I399 HydrophobicContact CD2-CG2 4.29Å; L361-I399 HydrophobicContact CG-CG2 3.91Å; A362-I399 HydrophobicContact CB-CD1 3.88Å; A362-I399 HydrophobicContact CB-CG1 4.14Å; A362-I399 HydrophobicContact CB-CG2 4.26Å; M365-I399 HydrophobicContact CB-CG2 3.77Å; M365-I399 WeakPolarHBondContact CB-O 3.47Å; M365-I399 HydrophobicContact CG-CG2 4.03Å; S395-I399 WeakPolarHBondContact O-CD1 3.39Å; S395-I399 VanDerWaalsContact O-CG1 3.31Å; S395-I399 WeakPolarHBondContact O-CG1 3.41Å; S395-I399 PolarHBondContact O-N 2.91Å; E396-I399 WeakPolarHBondContact O-CB 3.49Å; E396-I399 PolarHBondContact O-N 3.45Å; E396-I399 VanDerWaalsContact O-N 3.1Å; L397-I399 PolarHBondContact O-N 2.84Å
400I96.6Very high96Very high0 Ų033.3 Ų33.30%020%0.201CC..Hα-helixtrans-74.9-34.2-174.769-176.6000111.8L361 M365 I381 L392 E396 L397 S402 N403 L404 L407L361-I400 HydrophobicContact CD1-CG2 4.21Å; L361-I400 HydrophobicContact CD2-CG2 3.95Å; L361-I400 HydrophobicContact CG-CG2 4.29Å; M365-I400 HydrophobicContact CG-CG2 4.26Å; I381-I400 HydrophobicContact CD1-CB 4.09Å; I381-I400 HydrophobicContact CD1-CD1 4.41Å; I381-I400 HydrophobicContact CD1-CG2 3.99Å; I381-I400 HydrophobicContact CG1-CG2 3.96Å; L392-I400 HydrophobicContact CD2-CD1 3.84Å; E396-I400 WeakPolarHBondContact O-CG1 3.43Å; E396-I400 WeakPolarHBondContact O-CG2 3.42Å; E396-I400 PolarHBondContact O-N 2.91Å; L397-I400 HydrophobicContact CD2-CD1 4.37Å; I400-S402 PolarHBondContact O-N 3.07Å; I400-S402 VanDerWaalsContact O-N 3.16Å; I400-N403 VanDerWaalsContact O-CB 3.28Å; I400-N403 WeakPolarHBondContact O-CB 3.35Å; I400-N403 PolarHBondContact O-N 2.68Å; I400-N403 PolarHBondContact O-ND2 2.8Å; I400-L404 HydrophobicContact CD1-CB 4.23Å; I400-L404 HydrophobicContact CD1-CD1 3.73Å; I400-L404 HydrophobicContact CG1-CB 4.29Å; I400-L404 HydrophobicContact CG1-CD1 4.48Å; I400-L407 HydrophobicContact CD1-CD1 4.35Å
401D93.5Very high96Very high40 Ų4033.1 Ų33.121%0.21420%0.201CC..G310 helixtrans46.8-114.5173-158.114000112.3L397 N403 L404 K424 D427L397-D401 PolarHBondContact O-N 3.18Å; D401-N403 PolarHBondContact O-N 3.07Å; D401-N403 VanDerWaalsContact O-N 3.16Å; D401-L404 WeakPolarHBondContact O-CB 3.42Å; D401-L404 PolarHBondContact O-N 2.98Å; D401-K424 VanDerWaalsContact CG-CE 3.43Å; D401-K424 VanDerWaalsContact CG-NZ 3.28Å; D401-K424 WeakPolarHBondContact OD1-CE 3.4Å; D401-K424 IonicContact OD1-NZ 2.76Å; D401-K424 VanDerWaalsContact OD2-CE 3.29Å; D401-K424 WeakPolarHBondContact OD2-CE 3.14Å; D401-K424 IonicContact OD2-NZ 3.46Å; D401-K424 PolarHBondContact OD2-NZ 3.01Å; D401-D427 PolarHBondContact OD1-N 3.15Å
402S89.8Confident96Very high47 Ų4731 Ų3133%0.32919%0.186SC..G310 helixtrans-63.3-19.3178.860.30000115.2I400 L404 D427I400-S402 PolarHBondContact O-N 3.07Å; I400-S402 VanDerWaalsContact O-N 3.16Å; S402-L404 PolarHBondContact O-N 3.43Å; S402-D427 WeakPolarHBondContact CA-O 3.38Å; S402-D427 WeakPolarHBondContact CB-OD2 3.25Å
403N94.5Very high96Very high26 Ų2636.6 Ų36.614%0.13921%0.212CC..G310 helixtrans-77.2-9174.8-60-78.2000112.6M365 I381 I400 D401 C405 S406M365-N403 HydrophobicContact SD-CB 4.06Å; I381-N403 HydrophobicContact CD1-CB 4.07Å; I400-N403 VanDerWaalsContact O-CB 3.28Å; I400-N403 WeakPolarHBondContact O-CB 3.35Å; I400-N403 PolarHBondContact O-N 2.68Å; I400-N403 PolarHBondContact O-ND2 2.8Å; D401-N403 PolarHBondContact O-N 3.07Å; D401-N403 VanDerWaalsContact O-N 3.16Å; N403-C405 PolarHBondContact O-N 3.35Å; N403-S406 VanDerWaalsContact O-CB 3.28Å; N403-S406 WeakPolarHBondContact O-CB 3.43Å; N403-S406 PolarHBondContact O-N 2.91Å; N403-S406 PolarHBondContact O-OG 3.45Å
404L94.9Very high96Very high0 Ų037.5 Ų37.50%022%0.22CC..G310 helixtrans-51.5-39.5171.6179.375.8000111.7L397 I400 D401 S402 S406 L407 L412 I415 L426 L439L397-L404 HydrophobicContact CD2-CD1 3.71Å; I400-L404 HydrophobicContact CD1-CB 4.23Å; I400-L404 HydrophobicContact CD1-CD1 3.73Å; I400-L404 HydrophobicContact CG1-CB 4.29Å; I400-L404 HydrophobicContact CG1-CD1 4.48Å; D401-L404 WeakPolarHBondContact O-CB 3.42Å; D401-L404 PolarHBondContact O-N 2.98Å; S402-L404 PolarHBondContact O-N 3.43Å; L404-S406 PolarHBondContact O-N 3.09Å; L404-S406 VanDerWaalsContact O-N 3.07Å; L404-L407 HydrophobicContact CD1-CD1 4.28Å; L404-L407 WeakPolarHBondContact O-CB 3.09Å; L404-L407 WeakPolarHBondContact O-CG 3.36Å; L404-L407 PolarHBondContact O-N 2.79Å; L404-L412 HydrophobicContact CD1-CD2 3.43Å; L404-L412 VanDerWaalsContact CD1-CD2 3.43Å; L404-L412 HydrophobicContact CD2-CD2 4.44Å; L404-L412 HydrophobicContact CG-CD2 3.66Å; L404-I415 HydrophobicContact CD1-CD1 4.02Å; L404-L426 HydrophobicContact CD2-CD1 4.11Å; L404-L439 HydrophobicContact CD2-CD1 3.69Å; L404-L439 HydrophobicContact CD2-CD2 3.82Å; L404-L439 HydrophobicContact CD2-CG 4.43Å
405C93.3Very high96.1Very high12 Ų1236.3 Ų36.38%0.08121%0.211CC..G310 helixtrans-68-5.5-178.8-580000113.9N403 L407 S430 C431 Q435N403-C405 PolarHBondContact O-N 3.35Å; C405-L407 VanDerWaalsContact C-N 3.29Å; C405-S430 VanDerWaalsContact CB-OG 3.23Å; C405-S430 WeakPolarHBondContact CB-OG 3.02Å; C405-S430 PolarHBondContact SG-OG 2.67Å; C405-C431 WeakPolarHBondContact CA-SG 3.34Å; C405-C431 HydrophobicContact CB-CB 3.88Å; C405-C431 WeakPolarHBondContact CB-SG 3.41Å; C405-C431 WeakPolarHBondContact SG-CA 3.4Å; C405-C431 WeakPolarHBondContact SG-CB 3.21Å; C405-C431 PolarHBondContact SG-N 3.46Å; C405-C431 CovalentContact SG-SG 2.03Å; C405-C431 PolarHBondContact SG-SG 3.08Å; C405-Q435 PolarHBondContact O-NE2 2.89Å; C405-Q435 PolarHBondContact O-OE1 3.05Å
406S95.9Very high96.1Very high10 Ų1036.7 Ų36.77%0.0721%0.211CC..G310 helixtrans-77.5-15169.872.50000113.6S377 K378 N403 L404S377-S406 VanDerWaalsContact OG-CB 3.25Å; S377-S406 WeakPolarHBondContact OG-CB 3.34Å; K378-S406 WeakPolarHBondContact CD-O 3.44Å; K378-S406 WeakPolarHBondContact CG-O 3.45Å; K378-S406 PolarHBondContact N-OG 3.48Å; N403-S406 VanDerWaalsContact O-CB 3.28Å; N403-S406 WeakPolarHBondContact O-CB 3.43Å; N403-S406 PolarHBondContact O-N 2.91Å; N403-S406 PolarHBondContact O-OG 3.45Å; L404-S406 PolarHBondContact O-N 3.09Å; L404-S406 VanDerWaalsContact O-N 3.07Å
407L97.4Very high96Very high1 Ų137.4 Ų37.41%0.00522%0.22CC..SBendtrans-86.6150-174.6-58.6179.3000112.5I381 L392 I400 L404 C405 T411 L412 Q435I381-L407 HydrophobicContact CB-CD2 3.96Å; I381-L407 HydrophobicContact CD1-CD2 4.32Å; I381-L407 HydrophobicContact CG2-CD1 4.07Å; I381-L407 HydrophobicContact CG2-CD2 3.75Å; I381-L407 HydrophobicContact CG2-CG 4.41Å; L392-L407 HydrophobicContact CD1-CD1 3.88Å; L392-L407 HydrophobicContact CD2-CD1 4.34Å; I400-L407 HydrophobicContact CD1-CD1 4.35Å; L404-L407 HydrophobicContact CD1-CD1 4.28Å; L404-L407 WeakPolarHBondContact O-CB 3.09Å; L404-L407 WeakPolarHBondContact O-CG 3.36Å; L404-L407 PolarHBondContact O-N 2.79Å; C405-L407 VanDerWaalsContact C-N 3.29Å; L407-T411 HydrophobicContact CB-CG2 4.4Å; L407-T411 HydrophobicContact CD1-CG2 4.08Å; L407-T411 HydrophobicContact CD2-CG2 4.48Å; L407-L412 HydrophobicContact CB-CD2 3.93Å; L407-L412 HydrophobicContact CB-CG 4.25Å; L407-L412 HydrophobicContact CD1-CD2 4.14Å; L407-Q435 PolarHBondContact O-NE2 3.21Å
408D95.9Very high95.9Very high76 Ų7642.1 Ų42.141%0.40625%0.245SC..  trans-70.4152.1175.2-59.3-40.7000110.8K378 S410 T411 L412K378-D408 VanDerWaalsContact CE-OD2 3.31Å; K378-D408 WeakPolarHBondContact CE-OD2 3.45Å; K378-D408 IonicContact NZ-OD1 3.09Å; K378-D408 PolarHBondContact NZ-OD1 3.18Å; K378-D408 IonicContact NZ-OD2 2.91Å; K378-D408 PolarHBondContact NZ-OD2 3.19Å; D408-S410 PolarHBondContact O-N 3.24Å; D408-S410 VanDerWaalsContact O-N 3.16Å; D408-T411 WeakPolarHBondContact O-CA 3.48Å; D408-T411 WeakPolarHBondContact O-CB 3.35Å; D408-T411 PolarHBondContact O-N 3.22Å; D408-L412 PolarHBondContact O-N 3.38Å
409T96.3Very high95.9Very high56 Ų5640.3 Ų40.334%0.34424%0.236SC..Hα-helixtrans-55-35.8179.850.30000112.7T411 L412 Q413 E434 Q435 V438T409-T411 VanDerWaalsContact C-N 3.29Å; T409-T411 PolarHBondContact O-N 3.03Å; T409-L412 PolarHBondContact O-N 2.02Å; T409-Q413 VanDerWaalsContact O-CG 3.25Å; T409-Q413 WeakPolarHBondContact O-CG 3.41Å; T409-Q413 PolarHBondContact O-N 3.24Å; T409-E434 HydrophobicContact CG2-CB 4.09Å; T409-Q435 HydrophobicContact CG2-CG 3.99Å; T409-V438 HydrophobicContact CG2-CG2 4.48Å
410S96.7Very high95.8Very high71 Ų7138.3 Ų38.350%0.49723%0.226SC..Hα-helixtrans-62.7-33.7175.157.70000113.2D408D408-S410 PolarHBondContact O-N 3.24Å; D408-S410 VanDerWaalsContact O-N 3.16Å
411T97.3Very high95.6Very high36 Ų3642.8 Ų42.822%0.22124%0.243CC..Hα-helixtrans-75.8-42.7175.4-54.10000110L385 L392 L407 D408 T409 Q413 T414L385-T411 HydrophobicContact CD1-CG2 3.84Å; L392-T411 HydrophobicContact CD1-CG2 4.02Å; L407-T411 HydrophobicContact CB-CG2 4.4Å; L407-T411 HydrophobicContact CD1-CG2 4.08Å; L407-T411 HydrophobicContact CD2-CG2 4.48Å; D408-T411 WeakPolarHBondContact O-CA 3.48Å; D408-T411 WeakPolarHBondContact O-CB 3.35Å; D408-T411 PolarHBondContact O-N 3.22Å; T409-T411 VanDerWaalsContact C-N 3.29Å; T409-T411 PolarHBondContact O-N 3.03Å; T411-Q413 VanDerWaalsContact C-N 3.26Å; T411-Q413 PolarHBondContact O-N 2.71Å; T411-T414 WeakPolarHBondContact O-CB 3.46Å; T411-T414 PolarHBondContact O-N 2.95Å; T411-T414 PolarHBondContact O-OG1 3.28Å
412L97.4Very high95.6Very high0 Ų046 Ų460%026%0.26CS..Hα-helixtrans-60.6-35.1176.3-62.2-179.9000112.6L404 L407 D408 T409 T414 I415 Q435 V438L404-L412 HydrophobicContact CD1-CD2 3.43Å; L404-L412 VanDerWaalsContact CD1-CD2 3.43Å; L404-L412 HydrophobicContact CD2-CD2 4.44Å; L404-L412 HydrophobicContact CG-CD2 3.66Å; L407-L412 HydrophobicContact CB-CD2 3.93Å; L407-L412 HydrophobicContact CB-CG 4.25Å; L407-L412 HydrophobicContact CD1-CD2 4.14Å; D408-L412 PolarHBondContact O-N 3.38Å; T409-L412 PolarHBondContact O-N 2.02Å; L412-T414 PolarHBondContact O-N 2.83Å; L412-T414 VanDerWaalsContact O-N 3.14Å; L412-I415 HydrophobicContact CD2-CD1 4.23Å; L412-I415 WeakPolarHBondContact O-CB 3.13Å; L412-I415 WeakPolarHBondContact O-CD1 3.17Å; L412-I415 VanDerWaalsContact O-CG1 3.3Å; L412-I415 WeakPolarHBondContact O-CG1 3.03Å; L412-I415 PolarHBondContact O-N 2.97Å; L412-I415 VanDerWaalsContact O-N 3.11Å; L412-Q435 HydrophobicContact CD1-CB 3.76Å; L412-Q435 HydrophobicContact CD1-CG 3.73Å; L412-V438 HydrophobicContact CB-CG1 3.98Å
413Q97Very high95.8Very high125 Ų12544.7 Ų44.758%0.58425%0.25SS*.THydrogen-bonded Turntrans-63.2-15.1175.8-77.9171.1-16.500114.1T409 T411 I415 V438T409-Q413 VanDerWaalsContact O-CG 3.25Å; T409-Q413 WeakPolarHBondContact O-CG 3.41Å; T409-Q413 PolarHBondContact O-N 3.24Å; T411-Q413 VanDerWaalsContact C-N 3.26Å; T411-Q413 PolarHBondContact O-N 2.71Å; Q413-I415 VanDerWaalsContact C-N 3.28Å; Q413-V438 HydrophobicContact CG-CG1 3.76Å; Q413-V438 HydrophobicContact CG-CG2 4.22Å
414T96.9Very high95.6Very high89 Ų8948 Ų4855%0.54626%0.263SS..THydrogen-bonded Turntrans-77.7-14.1175.869.80000113.1T411 L412 T416T411-T414 WeakPolarHBondContact O-CB 3.46Å; T411-T414 PolarHBondContact O-N 2.95Å; T411-T414 PolarHBondContact O-OG1 3.28Å; L412-T414 PolarHBondContact O-N 2.83Å; L412-T414 VanDerWaalsContact O-N 3.14Å; T414-T416 PolarHBondContact O-N 2.66Å
415I97.9Very high95.2Very high7 Ų752.5 Ų52.54%0.03628%0.284CS..  trans-66.3124.8178.3-61.8164.5000109.2L392 L397 L404 L412 Q413 M420 L439 I442L392-I415 HydrophobicContact CB-CG1 3.89Å; L392-I415 HydrophobicContact CD1-CD1 4.27Å; L392-I415 HydrophobicContact CD1-CG1 3.89Å; L397-I415 HydrophobicContact CD1-CG1 4.49Å; L397-I415 HydrophobicContact CD1-CG2 3.77Å; L397-I415 HydrophobicContact CD2-CD1 3.7Å; L397-I415 HydrophobicContact CD2-CG1 4.08Å; L404-I415 HydrophobicContact CD1-CD1 4.02Å; L412-I415 HydrophobicContact CD2-CD1 4.23Å; L412-I415 WeakPolarHBondContact O-CB 3.13Å; L412-I415 WeakPolarHBondContact O-CD1 3.17Å; L412-I415 VanDerWaalsContact O-CG1 3.3Å; L412-I415 WeakPolarHBondContact O-CG1 3.03Å; L412-I415 PolarHBondContact O-N 2.97Å; L412-I415 VanDerWaalsContact O-N 3.11Å; Q413-I415 VanDerWaalsContact C-N 3.28Å; I415-M420 HydrophobicContact CG2-CB 4.34Å; I415-M420 HydrophobicContact CG2-CE 4.27Å; I415-L439 HydrophobicContact CD1-CD2 4.06Å; I415-I442 HydrophobicContact CB-CD1 4.18Å; I415-I442 HydrophobicContact CG2-CG2 4.23Å
416T96.9Very high95.1Very high68 Ų6851.9 Ų51.942%0.41728%0.28SS..  trans-80155.117882.80000111.6T414 D418 S419 M420T414-T416 PolarHBondContact O-N 2.66Å; T416-D418 PolarHBondContact O-N 2.87Å; T416-D418 PolarHBondContact OG1-N 3.17Å; T416-S419 PolarHBondContact O-N 3.29Å; T416-S419 WeakPolarHBondContact OG1-CB 3.31Å; T416-S419 PolarHBondContact OG1-N 3.33Å; T416-S419 PolarHBondContact OG1-OG 2.91Å; T416-M420 PolarHBondContact O-N 2.99Å
417A95.9Very high94.8Very high32 Ų3254.1 Ų54.126%0.26429%0.292SS..Hα-helixtrans-60.8-33.9174.600000112.2R421 T445 S446A417-R421 WeakPolarHBondContact O-CB 3.22Å; A417-R421 PolarHBondContact O-N 3.48Å; A417-T445 HydrophobicContact CB-CG2 4.19Å; A417-S446 VanDerWaalsContact O-CB 3.26Å; A417-S446 WeakPolarHBondContact O-CB 3.37Å; A417-S446 PolarHBondContact O-OG 2.8Å
418D95.8Very high94.4Very high100 Ų10054.2 Ų54.254%0.53529%0.292SS..Hα-helixtrans-72.7-39.2176.9-71.3-34.1000111.8T416 R421 N422T416-D418 PolarHBondContact O-N 2.87Å; T416-D418 PolarHBondContact OG1-N 3.17Å; D418-R421 WeakPolarHBondContact O-CB 3.49Å; D418-R421 PolarHBondContact O-N 2.85Å; D418-N422 PolarHBondContact O-N 3.37Å; D418-N422 PolarHBondContact O-ND2 3.41Å
419S96.5Very high93.9Very high9 Ų951.2 Ų51.26%0.06328%0.278CS..Hα-helixtrans-60.2-49.9173.8-52.10000109.5D393 S394 T416 R421 N422 T423D393-S419 PolarHBondContact OD1-OG 3.49Å; S394-S419 WeakPolarHBondContact CB-O 3.29Å; T416-S419 PolarHBondContact O-N 3.29Å; T416-S419 WeakPolarHBondContact OG1-CB 3.31Å; T416-S419 PolarHBondContact OG1-N 3.33Å; T416-S419 PolarHBondContact OG1-OG 2.91Å; S419-R421 VanDerWaalsContact C-N 3.29Å; S419-R421 PolarHBondContact O-N 3.09Å; S419-N422 PolarHBondContact O-N 2.81Å; S419-T423 WeakPolarHBondContact O-CG2 3.35Å; S419-T423 PolarHBondContact O-N 3.3Å
420M95Very high93.4Very high0 Ų050.8 Ų50.80%028%0.277CS..Hα-helixtrans-60-34.2175.5-175.86775.800113.3I415 T416 N422 T423 L426 L439 I442 Y464I415-M420 HydrophobicContact CG2-CB 4.34Å; I415-M420 HydrophobicContact CG2-CE 4.27Å; T416-M420 PolarHBondContact O-N 2.99Å; M420-N422 PolarHBondContact O-N 2.88Å; M420-T423 PolarHBondContact O-N 2.95Å; M420-T423 PolarHBondContact O-OG1 3.31Å; M420-L426 HydrophobicContact CE-CD1 4.49Å; M420-L426 HydrophobicContact SD-CD1 4.18Å; M420-L439 HydrophobicContact CE-CD2 4Å; M420-I442 HydrophobicContact CB-CG2 3.84Å; M420-I442 HydrophobicContact CE-CB 4.37Å; M420-I442 HydrophobicContact CE-CG2 3.95Å; M420-I442 HydrophobicContact CG-CG2 4.11Å; M420-Y464 HydrophobicContact CE-CE1 4.47Å; M420-Y464 HydrophobicContact SD-CE1 4.24Å
421R93.7Very high93Very high93 Ų9347.6 Ų47.635%0.35126%0.255SS..Hα-helixtrans-63.8-34.4-179.7-170.1175.8-74.1177.21.2112A417 D418 S419 S446 F447A417-R421 WeakPolarHBondContact O-CB 3.22Å; A417-R421 PolarHBondContact O-N 3.48Å; D418-R421 WeakPolarHBondContact O-CB 3.49Å; D418-R421 PolarHBondContact O-N 2.85Å; S419-R421 VanDerWaalsContact C-N 3.29Å; S419-R421 PolarHBondContact O-N 3.09Å; R421-S446 WeakPolarHBondContact CA-OG 3.29Å; R421-S446 WeakPolarHBondContact CB-OG 3.38Å; R421-S446 VanDerWaalsContact CZ-O 3.3Å; R421-S446 PolarHBondContact N-OG 3.22Å; R421-S446 VanDerWaalsContact N-OG 3.12Å; R421-S446 PolarHBondContact NE-O 3.09Å; R421-S446 PolarHBondContact NH2-O 3.47Å; R421-F447 HydrophobicContact CG-CE1 4.25Å
422N93.3Very high92.6Very high107 Ų10748 Ų4857%0.57226%0.259SS*.THydrogen-bonded Turntrans-99.63.2-171.4-64-54.1000113.1D418 S419 M420D418-N422 PolarHBondContact O-N 3.37Å; D418-N422 PolarHBondContact O-ND2 3.41Å; S419-N422 PolarHBondContact O-N 2.81Å; M420-N422 PolarHBondContact O-N 2.88Å
423T92.5Very high92Very high21 Ų2150 Ų5013%0.12927%0.271CS..SBendtrans-79.9159.3171.658.80000111.6L397 N398 S419 M420 L426L397-T423 HydrophobicContact CB-CG2 3.42Å; L397-T423 VanDerWaalsContact CB-CG2 3.42Å; L397-T423 HydrophobicContact CD1-CG2 3.58Å; L397-T423 HydrophobicContact CG-CG2 4.14Å; N398-T423 WeakPolarHBondContact OD1-CA 3.42Å; N398-T423 WeakPolarHBondContact OD1-CB 3.43Å; S419-T423 WeakPolarHBondContact O-CG2 3.35Å; S419-T423 PolarHBondContact O-N 3.3Å; M420-T423 PolarHBondContact O-N 2.95Å; M420-T423 PolarHBondContact O-OG1 3.31Å; T423-L426 HydrophobicContact CG2-CD2 4.49Å
424K90.3Very high91.7Very high94 Ų9449.8 Ų49.841%0.40927%0.27SS..PPolyproline II helixtrans-61.2167155.779.3-167.7-169.6-176.20109.2N398 D401 L426N398-K424 HydrophobicContact CB-CD 4.37Å; N398-K424 WeakPolarHBondContact O-CE 2.99Å; N398-K424 PolarHBondContact O-NZ 3.26Å; N398-K424 VanDerWaalsContact OD1-CG 3.3Å; N398-K424 WeakPolarHBondContact OD1-CG 3.22Å; N398-K424 PolarHBondContact OD1-N 2.98Å; D401-K424 VanDerWaalsContact CG-CE 3.43Å; D401-K424 VanDerWaalsContact CG-NZ 3.28Å; D401-K424 WeakPolarHBondContact OD1-CE 3.4Å; D401-K424 IonicContact OD1-NZ 2.76Å; D401-K424 VanDerWaalsContact OD2-CE 3.29Å; D401-K424 WeakPolarHBondContact OD2-CE 3.14Å; D401-K424 IonicContact OD2-NZ 3.46Å; D401-K424 PolarHBondContact OD2-NZ 3.01Å; K424-L426 HydrophobicContact CG-CD2 4.5Å; K424-L426 PolarHBondContact O-N 3.19Å; K424-L426 VanDerWaalsContact O-N 3.15Å
425H87.4Confident91.5Very high95 Ų9546.6 Ų46.644%0.4425%0.249SC..PPolyproline II helixtrans-62.6117.5169.2178.5-103.7000109G463 E467H425-G463 WeakPolarHBondContact NE2-CA 3.2Å; H425-E467 IonicContact CE1-OE1 3.68Å; H425-E467 IonicContact CE1-OE2 2.87Å
426L91.1Very high91.2Very high0 Ų046.4 Ų46.40%025%0.248CC..PPolyproline II helixtrans-83.8139.7-175.7-58174.9000110.1L397 L404 M420 T423 K424 V428 Y464L397-L426 HydrophobicContact CB-CD1 4.25Å; L397-L426 HydrophobicContact CB-CD2 4.19Å; L397-L426 HydrophobicContact CD2-CD1 4.38Å; L397-L426 VanDerWaalsContact O-CD2 3.32Å; L397-L426 WeakPolarHBondContact O-CD2 3.42Å; L404-L426 HydrophobicContact CD2-CD1 4.11Å; M420-L426 HydrophobicContact CE-CD1 4.49Å; M420-L426 HydrophobicContact SD-CD1 4.18Å; T423-L426 HydrophobicContact CG2-CD2 4.49Å; K424-L426 HydrophobicContact CG-CD2 4.5Å; K424-L426 PolarHBondContact O-N 3.19Å; K424-L426 VanDerWaalsContact O-N 3.15Å; L426-V428 HydrophobicContact CB-CG1 4.43Å; L426-V428 PolarHBondContact O-N 3.32Å; L426-Y464 HydrophobicContact CB-CE1 4.44Å; L426-Y464 PolarHBondContact N-OH 3.24Å
427D89.1Confident90.9Very high57 Ų5749.7 Ų49.731%0.30525%0.253SS..  trans-74.4110.5170.8179-6000110D401 S402 A429D401-D427 PolarHBondContact OD1-N 3.15Å; S402-D427 WeakPolarHBondContact CA-O 3.38Å; S402-D427 WeakPolarHBondContact CB-OD2 3.25Å; D427-A429 WeakPolarHBondContact OD1-CB 3.33Å; D427-A429 PolarHBondContact OD1-N 3.25Å
428V89.4Confident90.9Very high2 Ų248.8 Ų48.81%0.01224%0.244CC..  trans-111.716.2178.4-57.60000112.1L426 S430 C431 K436 L439 G463 Y464 E467L426-V428 HydrophobicContact CB-CG1 4.43Å; L426-V428 PolarHBondContact O-N 3.32Å; V428-S430 VanDerWaalsContact C-N 3.26Å; V428-S430 PolarHBondContact O-N 3.23Å; V428-C431 WeakPolarHBondContact O-CB 3.01Å; V428-C431 PolarHBondContact O-N 2.93Å; V428-K436 WeakPolarHBondContact O-CE 3.31Å; V428-L439 HydrophobicContact CB-CD1 4.36Å; V428-L439 HydrophobicContact CG1-CD1 3.68Å; V428-G463 VanDerWaalsContact CG2-O 3.29Å; V428-G463 WeakPolarHBondContact CG2-O 3.2Å; V428-Y464 HydrophobicContact CG1-CD1 4.06Å; V428-Y464 HydrophobicContact CG1-CE1 3.88Å; V428-Y464 HydrophobicContact CG2-CD1 4.35Å; V428-E467 HydrophobicContact CG2-CB 3.85Å; V428-E467 WeakPolarHBondContact CG2-OE2 3.47Å; V428-E467 PolarHBondContact N-OE2 3.31Å
429A84.8Confident90.9Very high13 Ų1344 Ų4411%0.10722%0.219CC..THydrogen-bonded Turntrans-60.7-35.1-17300000113.1D427 E467 A469D427-A429 WeakPolarHBondContact OD1-CB 3.33Å; D427-A429 PolarHBondContact OD1-N 3.25Å; A429-E467 HydrophobicContact CB-CG 4.05Å; A429-A469 HydrophobicContact CB-CB 4.19Å
430S85.6Confident90.8Very high47 Ų4743.8 Ų43.833%0.32922%0.216SC..THydrogen-bonded Turntrans-87.4-3.7-177.465.90000114.5C405 V428C405-S430 VanDerWaalsContact CB-OG 3.23Å; C405-S430 WeakPolarHBondContact CB-OG 3.02Å; C405-S430 PolarHBondContact SG-OG 2.67Å; V428-S430 VanDerWaalsContact C-N 3.26Å; V428-S430 PolarHBondContact O-N 3.23Å
431C89.3Confident90.8Very high4 Ų448 Ų483%0.02724%0.236CC..  trans-72.9146-178.5-79.70000111.7C405 V428 Q435 K436C405-C431 WeakPolarHBondContact CA-SG 3.34Å; C405-C431 HydrophobicContact CB-CB 3.88Å; C405-C431 WeakPolarHBondContact CB-SG 3.41Å; C405-C431 WeakPolarHBondContact SG-CA 3.4Å; C405-C431 WeakPolarHBondContact SG-CB 3.21Å; C405-C431 PolarHBondContact SG-N 3.46Å; C405-C431 CovalentContact SG-SG 2.03Å; C405-C431 PolarHBondContact SG-SG 3.08Å; V428-C431 WeakPolarHBondContact O-CB 3.01Å; V428-C431 PolarHBondContact O-N 2.93Å; C431-Q435 VanDerWaalsContact CA-OE1 3.31Å; C431-Q435 HydrophobicContact CB-CB 3.91Å; C431-K436 HydrophobicContact CB-CD 4.4Å; C431-K436 HydrophobicContact CB-CG 3.63Å; C431-K436 WeakPolarHBondContact O-CE 3.41Å
432S88.3Confident91Very high45 Ų4544.7 Ų44.732%0.31523%0.225SC..  trans-65.2163.4168.290.40000111.3E434 Q435 K436S432-E434 VanDerWaalsContact C-N 3.28Å; S432-E434 PolarHBondContact O-N 2.95Å; S432-E434 PolarHBondContact OG-N 3.05Å; S432-E434 PolarHBondContact OG-OE2 3.08Å; S432-Q435 PolarHBondContact O-N 3.23Å; S432-Q435 PolarHBondContact OG-N 3.27Å; S432-K436 WeakPolarHBondContact O-CB 3.24Å; S432-K436 WeakPolarHBondContact O-CG 3.39Å; S432-K436 PolarHBondContact O-N 2.91Å
433T85.8Confident91Very high41 Ų4139.6 Ų39.625%0.25220%0.198SC..Hα-helixtrans-54.9-43.4175.9-570000112.1K436 R437 V482T433-K436 PolarHBondContact O-N 2.9Å; T433-R437 WeakPolarHBondContact O-CB 3.49Å; T433-R437 PolarHBondContact O-N 3.42Å; T433-V482 WeakPolarHBondContact OG1-CG1 3.44Å
434E89.4Confident91.1Very high122 Ų12239.7 Ų39.757%0.5720%0.197SC*.Hα-helixtrans-65.7-42.2179.2-61.873.6-163.200111.9T409 S432 R437 V438T409-E434 HydrophobicContact CG2-CB 4.09Å; S432-E434 VanDerWaalsContact C-N 3.28Å; S432-E434 PolarHBondContact O-N 2.95Å; S432-E434 PolarHBondContact OG-N 3.05Å; S432-E434 PolarHBondContact OG-OE2 3.08Å; E434-R437 PolarHBondContact O-N 3.2Å; E434-V438 WeakPolarHBondContact O-CG2 3.31Å; E434-V438 PolarHBondContact O-N 2.64Å; E434-V438 VanDerWaalsContact O-N 3.09Å
435Q92.6Very high91.4Very high22 Ų2239.3 Ų39.310%0.10320%0.203CC..Hα-helixtrans-64-46.1175.7-68.2172.6-42.200110.8C405 L407 T409 L412 C431 S432 R437 V438 L439C405-Q435 PolarHBondContact O-NE2 2.89Å; C405-Q435 PolarHBondContact O-OE1 3.05Å; L407-Q435 PolarHBondContact O-NE2 3.21Å; T409-Q435 HydrophobicContact CG2-CG 3.99Å; L412-Q435 HydrophobicContact CD1-CB 3.76Å; L412-Q435 HydrophobicContact CD1-CG 3.73Å; C431-Q435 VanDerWaalsContact CA-OE1 3.31Å; C431-Q435 HydrophobicContact CB-CB 3.91Å; S432-Q435 PolarHBondContact O-N 3.23Å; S432-Q435 PolarHBondContact OG-N 3.27Å; Q435-R437 VanDerWaalsContact C-N 3.27Å; Q435-R437 PolarHBondContact O-N 3.09Å; Q435-V438 PolarHBondContact O-N 2.76Å; Q435-L439 WeakPolarHBondContact O-CG 3.49Å; Q435-L439 PolarHBondContact O-N 2.62Å
436K91.6Very high91.8Very high3 Ų334.8 Ų34.81%0.01318%0.182CC..Hα-helixtrans-60.4-38.1176.5-74178.4172.4176.10111.8V428 C431 S432 T433 L439 Y440 E467 V482V428-K436 WeakPolarHBondContact O-CE 3.31Å; C431-K436 HydrophobicContact CB-CD 4.4Å; C431-K436 HydrophobicContact CB-CG 3.63Å; C431-K436 WeakPolarHBondContact O-CE 3.41Å; S432-K436 WeakPolarHBondContact O-CB 3.24Å; S432-K436 WeakPolarHBondContact O-CG 3.39Å; S432-K436 PolarHBondContact O-N 2.91Å; T433-K436 PolarHBondContact O-N 2.9Å; K436-L439 PolarHBondContact O-N 2.97Å; K436-Y440 VanDerWaalsContact O-CB 3.23Å; K436-Y440 WeakPolarHBondContact O-CB 3.33Å; K436-Y440 PolarHBondContact O-N 2.77Å; K436-E467 PolarHBondContact NZ-O 3.34Å; K436-V482 WeakPolarHBondContact CD-O 3.42Å; K436-V482 WeakPolarHBondContact CE-O 3.27Å; K436-V482 VanDerWaalsContact NZ-CG2 3.26Å; K436-V482 PolarHBondContact NZ-O 3.27Å
437R92.3Very high92Very high136 Ų13635.5 Ų35.551%0.51319%0.185SC..Hα-helixtrans-62.2-47.5175.3-175.9-179.7176.11360.5112.1T433 E434 Q435 L439 Y440 E441 G484T433-R437 WeakPolarHBondContact O-CB 3.49Å; T433-R437 PolarHBondContact O-N 3.42Å; E434-R437 PolarHBondContact O-N 3.2Å; Q435-R437 VanDerWaalsContact C-N 3.27Å; Q435-R437 PolarHBondContact O-N 3.09Å; R437-L439 VanDerWaalsContact C-N 3.34Å; R437-L439 PolarHBondContact O-N 2.03Å; R437-Y440 PolarHBondContact O-N 3.45Å; R437-E441 IonicContact CZ-OE1 3.76Å; R437-E441 IonicContact NE-OE1 3.88Å; R437-E441 PolarHBondContact NE-OE1 2.81Å; R437-E441 IonicContact NH2-OE1 2.66Å; R437-E441 WeakPolarHBondContact O-CG 3.4Å; R437-E441 PolarHBondContact O-N 3.2Å; R437-G484 WeakPolarHBondContact CA-O 3.39Å
438V95.5Very high92.1Very high14 Ų1435.1 Ų35.19%0.08519%0.187CC..Hα-helixtrans-57.7-48.6175.4169.80000110.5T409 L412 Q413 E434 Q435 Y440 E441 I442T409-V438 HydrophobicContact CG2-CG2 4.48Å; L412-V438 HydrophobicContact CB-CG1 3.98Å; Q413-V438 HydrophobicContact CG-CG1 3.76Å; Q413-V438 HydrophobicContact CG-CG2 4.22Å; E434-V438 WeakPolarHBondContact O-CG2 3.31Å; E434-V438 PolarHBondContact O-N 2.64Å; E434-V438 VanDerWaalsContact O-N 3.09Å; Q435-V438 PolarHBondContact O-N 2.76Å; V438-Y440 VanDerWaalsContact C-N 3.34Å; V438-Y440 PolarHBondContact O-N 3.26Å; V438-E441 PolarHBondContact O-N 3.17Å; V438-I442 HydrophobicContact CG1-CD1 3.8Å; V438-I442 VanDerWaalsContact O-CG1 3.28Å; V438-I442 WeakPolarHBondContact O-CG1 3.12Å; V438-I442 PolarHBondContact O-N 3.15Å; V438-I442 VanDerWaalsContact O-N 3.1Å
439L95Very high92.3Very high0 Ų038.9 Ų38.90%021%0.21CC..Hα-helixtrans-65.6-37.3-179.3-65.4171.4000112.4L404 I415 M420 V428 Q435 K436 R437 S443 Y464L404-L439 HydrophobicContact CD2-CD1 3.69Å; L404-L439 HydrophobicContact CD2-CD2 3.82Å; L404-L439 HydrophobicContact CD2-CG 4.43Å; I415-L439 HydrophobicContact CD1-CD2 4.06Å; M420-L439 HydrophobicContact CE-CD2 4Å; V428-L439 HydrophobicContact CB-CD1 4.36Å; V428-L439 HydrophobicContact CG1-CD1 3.68Å; Q435-L439 WeakPolarHBondContact O-CG 3.49Å; Q435-L439 PolarHBondContact O-N 2.62Å; K436-L439 PolarHBondContact O-N 2.97Å; R437-L439 VanDerWaalsContact C-N 3.34Å; R437-L439 PolarHBondContact O-N 2.03Å; L439-S443 WeakPolarHBondContact O-CB 3.32Å; L439-S443 PolarHBondContact O-N 3.28Å; L439-Y464 HydrophobicContact CB-CD1 4.12Å
440Y95Very high92.6Very high4 Ų441.5 Ų41.52%0.01622%0.22CC..Hα-helixtrans-63.5-46.1173.8174-99.4000111.9K436 R437 V438 I442 S443 N444 L465 A485 P486 D489K436-Y440 VanDerWaalsContact O-CB 3.23Å; K436-Y440 WeakPolarHBondContact O-CB 3.33Å; K436-Y440 PolarHBondContact O-N 2.77Å; R437-Y440 PolarHBondContact O-N 3.45Å; V438-Y440 VanDerWaalsContact C-N 3.34Å; V438-Y440 PolarHBondContact O-N 3.26Å; Y440-I442 VanDerWaalsContact C-N 3.32Å; Y440-I442 PolarHBondContact O-N 3.46Å; Y440-S443 PolarHBondContact O-N 2.66Å; Y440-N444 HydrophobicContact CE1-CB 4.29Å; Y440-N444 HydrophobicContact CE2-CB 4.44Å; Y440-N444 VanDerWaalsContact O-CB 3.22Å; Y440-N444 WeakPolarHBondContact O-CB 3.34Å; Y440-N444 PolarHBondContact O-N 2.91Å; Y440-L465 HydrophobicContact CD2-CD2 3.99Å; Y440-L465 HydrophobicContact CE2-CD2 3.4Å; Y440-A485 HydrophobicContact CD1-CB 4.21Å; Y440-A485 HydrophobicContact CD2-CB 3.96Å; Y440-A485 HydrophobicContact CE1-CB 4.06Å; Y440-A485 HydrophobicContact CE2-CB 3.82Å; Y440-A485 HydrophobicContact CG-CB 4.15Å; Y440-P486 HydrophobicContact CE1-CG 4.21Å; Y440-D489 VanDerWaalsContact CE1-OD2 3.24Å; Y440-D489 WeakPolarHBondContact CE1-OD2 3.36Å; Y440-D489 WeakPolarHBondContact OH-CB 3.3Å; Y440-D489 VanDerWaalsContact OH-CG 3.28Å; Y440-D489 PolarHBondContact OH-OD2 2.87Å
441E95.6Very high92.7Very high89 Ų8946.1 Ų46.142%0.41623%0.23SC..Hα-helixtrans-61.2-41.7179.1-73.4172.8-173.300111.5R437 V438 T445R437-E441 IonicContact CZ-OE1 3.76Å; R437-E441 IonicContact NE-OE1 3.88Å; R437-E441 PolarHBondContact NE-OE1 2.81Å; R437-E441 IonicContact NH2-OE1 2.66Å; R437-E441 WeakPolarHBondContact O-CG 3.4Å; R437-E441 PolarHBondContact O-N 3.2Å; V438-E441 PolarHBondContact O-N 3.17Å; E441-T445 WeakPolarHBondContact O-CB 3.02Å; E441-T445 PolarHBondContact O-N 3.31Å; E441-T445 VanDerWaalsContact O-N 3.14Å; E441-T445 PolarHBondContact O-OG1 3.32Å
442I96.3Very high92.7Very high23 Ų2352.4 Ų52.412%0.11826%0.264CS..Hα-helixtrans-65.1-46.6175-63.1165.1000110.6I415 M420 V438 Y440 T445 S446I415-I442 HydrophobicContact CB-CD1 4.18Å; I415-I442 HydrophobicContact CG2-CG2 4.23Å; M420-I442 HydrophobicContact CB-CG2 3.84Å; M420-I442 HydrophobicContact CE-CB 4.37Å; M420-I442 HydrophobicContact CE-CG2 3.95Å; M420-I442 HydrophobicContact CG-CG2 4.11Å; V438-I442 HydrophobicContact CG1-CD1 3.8Å; V438-I442 VanDerWaalsContact O-CG1 3.28Å; V438-I442 WeakPolarHBondContact O-CG1 3.12Å; V438-I442 PolarHBondContact O-N 3.15Å; V438-I442 VanDerWaalsContact O-N 3.1Å; Y440-I442 VanDerWaalsContact C-N 3.32Å; Y440-I442 PolarHBondContact O-N 3.46Å; I442-T445 PolarHBondContact O-N 3.17Å; I442-S446 VanDerWaalsContact O-CB 3.26Å; I442-S446 WeakPolarHBondContact O-CB 3.03Å; I442-S446 PolarHBondContact O-N 3.38Å
443S94.8Very high92.8Very high0 Ų052.5 Ų52.50%026%0.261CS..Hα-helixtrans-63-46.4179.2-179.20000112.5L439 Y440 T445 S446 F447 Y464L439-S443 WeakPolarHBondContact O-CB 3.32Å; L439-S443 PolarHBondContact O-N 3.28Å; Y440-S443 PolarHBondContact O-N 2.66Å; S443-T445 VanDerWaalsContact C-N 3.3Å; S443-T445 PolarHBondContact O-N 3.48Å; S443-S446 WeakPolarHBondContact O-CB 3.46Å; S443-S446 PolarHBondContact O-N 3.01Å; S443-S446 VanDerWaalsContact O-N 3.17Å; S443-F447 WeakPolarHBondContact O-CD2 3.32Å; S443-F447 PolarHBondContact O-N 3.3Å; S443-F447 WeakPolarHBondContact OG-CD2 3.32Å; S443-F447 WeakPolarHBondContact OG-CE2 3.3Å; S443-Y464 WeakPolarHBondContact OG-CD2 3.37Å
444N94.4Very high92.9Very high22 Ų2252.5 Ų52.512%0.11826%0.261CS..Hα-helixtrans-57.3-43.7175.8-17910.4000111.4Y440 S448 R451 Y457 D489Y440-N444 HydrophobicContact CE1-CB 4.29Å; Y440-N444 HydrophobicContact CE2-CB 4.44Å; Y440-N444 VanDerWaalsContact O-CB 3.22Å; Y440-N444 WeakPolarHBondContact O-CB 3.34Å; Y440-N444 PolarHBondContact O-N 2.91Å; N444-S448 PolarHBondContact O-N 2.99Å; N444-S448 VanDerWaalsContact O-N 3.16Å; N444-R451 PolarHBondContact OD1-NH2 2.98Å; N444-Y457 PolarHBondContact OD1-OH 3.06Å; N444-D489 PolarHBondContact ND2-OD2 3.13Å
445T95.4Very high92.8Very high87 Ų8747.3 Ų47.353%0.53424%0.237SC..Hα-helixtrans-64.6-48.8175.1-57.60000111.1A417 E441 I442 S443 F447 S448A417-T445 HydrophobicContact CB-CG2 4.19Å; E441-T445 WeakPolarHBondContact O-CB 3.02Å; E441-T445 PolarHBondContact O-N 3.31Å; E441-T445 VanDerWaalsContact O-N 3.14Å; E441-T445 PolarHBondContact O-OG1 3.32Å; I442-T445 PolarHBondContact O-N 3.17Å; S443-T445 VanDerWaalsContact C-N 3.3Å; S443-T445 PolarHBondContact O-N 3.48Å; T445-F447 PolarHBondContact O-N 3.41Å; T445-S448 WeakPolarHBondContact O-CB 3.42Å; T445-S448 PolarHBondContact O-N 3.49Å; T445-S448 PolarHBondContact O-OG 3.25Å
446S95.8Very high92.6Very high0 Ų048.2 Ų48.20%024%0.243CC..Hα-helixtrans-56.9-44.6-178.7-176.70000112.9A417 R421 I442 S443A417-S446 VanDerWaalsContact O-CB 3.26Å; A417-S446 WeakPolarHBondContact O-CB 3.37Å; A417-S446 PolarHBondContact O-OG 2.8Å; R421-S446 WeakPolarHBondContact CA-OG 3.29Å; R421-S446 WeakPolarHBondContact CB-OG 3.38Å; R421-S446 VanDerWaalsContact CZ-O 3.3Å; R421-S446 PolarHBondContact N-OG 3.22Å; R421-S446 VanDerWaalsContact N-OG 3.12Å; R421-S446 PolarHBondContact NE-O 3.09Å; R421-S446 PolarHBondContact NH2-O 3.47Å; I442-S446 VanDerWaalsContact O-CB 3.26Å; I442-S446 WeakPolarHBondContact O-CB 3.03Å; I442-S446 PolarHBondContact O-N 3.38Å; S443-S446 WeakPolarHBondContact O-CB 3.46Å; S443-S446 PolarHBondContact O-N 3.01Å; S443-S446 VanDerWaalsContact O-N 3.17Å
447F95Very high92.6Very high14 Ų1448.5 Ų48.56%0.06124%0.244CC..Hα-helixtrans-97.76.3-174.6-58.1-59.1000114.2R421 S443 T445 V449 H450 Y457 L460 V461R421-F447 HydrophobicContact CG-CE1 4.25Å; S443-F447 WeakPolarHBondContact O-CD2 3.32Å; S443-F447 PolarHBondContact O-N 3.3Å; S443-F447 WeakPolarHBondContact OG-CD2 3.32Å; S443-F447 WeakPolarHBondContact OG-CE2 3.3Å; T445-F447 PolarHBondContact O-N 3.41Å; F447-V449 PolarHBondContact O-N 2.92Å; F447-H450 PolarHBondContact O-N 3.49Å; F447-Y457 HydrophobicContact CB-CD2 4.32Å; F447-Y457 HydrophobicContact CB-CE2 4.34Å; F447-Y457 WeakPolarHBondContact O-CD2 3.43Å; F447-L460 HydrophobicContact CB-CB 4.25Å; F447-L460 HydrophobicContact CB-CD1 4.36Å; F447-L460 HydrophobicContact CD1-CB 3.98Å; F447-L460 HydrophobicContact CD1-CD1 3.8Å; F447-L460 HydrophobicContact CD1-CD2 4.39Å; F447-L460 HydrophobicContact CD1-CG 4.28Å; F447-L460 HydrophobicContact CD2-CB 3.94Å; F447-L460 HydrophobicContact CE1-CB 4.32Å; F447-L460 HydrophobicContact CE1-CD1 4.41Å; F447-L460 HydrophobicContact CE1-CD2 4.2Å; F447-L460 HydrophobicContact CE2-CB 4.29Å; F447-L460 HydrophobicContact CG-CB 3.78Å; F447-L460 HydrophobicContact CG-CD1 4.19Å; F447-L460 HydrophobicContact CZ-CB 4.47Å; F447-V461 HydrophobicContact CB-CG1 4.14Å; F447-V461 HydrophobicContact CD2-CG1 3.97Å
448S93Very high92.6Very high49 Ų4942.3 Ų42.334%0.34322%0.221SC..G310 helixtrans-53.2-28.2178.760.20000114.1N444 T445 H450 R451N444-S448 PolarHBondContact O-N 2.99Å; N444-S448 VanDerWaalsContact O-N 3.16Å; T445-S448 WeakPolarHBondContact O-CB 3.42Å; T445-S448 PolarHBondContact O-N 3.49Å; T445-S448 PolarHBondContact O-OG 3.25Å; S448-H450 PolarHBondContact O-N 3.31Å; S448-R451 WeakPolarHBondContact O-CB 3.29Å; S448-R451 VanDerWaalsContact O-CG 3.28Å; S448-R451 WeakPolarHBondContact O-CG 3.25Å; S448-R451 PolarHBondContact O-N 3.03Å
449V91.9Very high92.3Very high82 Ų8243.7 Ų43.750%0.49723%0.227SC..G310 helixtrans-63.5-16.5176.1-62.20000114.2F447F447-V449 PolarHBondContact O-N 2.92Å
450H91.1Very high92Very high68 Ų6846.6 Ų46.632%0.31524%0.243SC..G310 helixtrans-100.18.1-179.4-62.9-59000113.9F447 S448 D452 N453 Y457 L460F447-H450 PolarHBondContact O-N 3.49Å; S448-H450 PolarHBondContact O-N 3.31Å; H450-D452 WeakPolarHBondContact CA-OD1 3.42Å; H450-D452 PolarHBondContact O-N 3.34Å; H450-N453 CarbonylContact O-C 3.43Å; H450-N453 PolarHBondContact O-N 3.48Å; H450-N453 VanDerWaalsContact O-O 3.09Å; H450-Y457 WeakPolarHBondContact O-CB 3.36Å; H450-L460 HydrophobicContact CB-CD1 4.28Å; H450-L460 WeakPolarHBondContact CD2-CD1 3.44Å
451R89.6Confident91.9Very high143 Ų14346.4 Ų46.454%0.5424%0.242SC..THydrogen-bonded Turntrans-64.5-17.2-177.9-76.2-179.4179.1-167.12.9113.9N444 S448 N453 Y457N444-R451 PolarHBondContact OD1-NH2 2.98Å; S448-R451 WeakPolarHBondContact O-CB 3.29Å; S448-R451 VanDerWaalsContact O-CG 3.28Å; S448-R451 WeakPolarHBondContact O-CG 3.25Å; S448-R451 PolarHBondContact O-N 3.03Å; R451-N453 PolarHBondContact O-N 2.95Å; R451-Y457 HydrophobicContact CG-CD2 3.89Å; R451-Y457 HydrophobicContact CG-CE2 4.01Å; R451-Y457 HydrophobicContact CG-CG 4.26Å
452D89.3Confident91.5Very high137 Ų13745 Ų4573%0.73323%0.234SC*.THydrogen-bonded Turntrans-63.6-26.7171.366.9-43.5000112.6H450H450-D452 WeakPolarHBondContact CA-OD1 3.42Å; H450-D452 PolarHBondContact O-N 3.34Å
453N89.1Confident91Very high47 Ų4744.3 Ų44.325%0.25123%0.233SC..SBendtrans-121.194173.8-172.2-36.2000110.5H450 R451 I455 N456 Y457H450-N453 CarbonylContact O-C 3.43Å; H450-N453 PolarHBondContact O-N 3.48Å; H450-N453 VanDerWaalsContact O-O 3.09Å; R451-N453 PolarHBondContact O-N 2.95Å; N453-I455 PolarHBondContact O-N 2.93Å; N453-I455 VanDerWaalsContact O-N 3.12Å; N453-I455 PolarHBondContact OD1-N 3.48Å; N453-N456 HydrophobicContact CB-CB 4.09Å; N453-N456 PolarHBondContact ND2-ND2 3.1Å; N453-N456 PolarHBondContact O-N 2.81Å; N453-N456 PolarHBondContact OD1-N 2.6Å; N453-Y457 PolarHBondContact O-N 2.88Å
454P88.4Confident90.7Very high40 Ų4044.6 Ų44.626%0.2623%0.234SC..Hα-helixtrans-60.3-29.7-173.1-24.732.2000115.1Y458 Q496P454-Y458 WeakPolarHBondContact O-CB 3.48Å; P454-Y458 PolarHBondContact O-N 2.72Å; P454-Q496 HydrophobicContact CB-CB 3.76Å; P454-Q496 HydrophobicContact CB-CG 4.35Å; P454-Q496 HydrophobicContact CG-CB 4.33Å
455I87.4Confident90.4Very high14 Ų1443.6 Ų43.67%0.07223%0.229CC..Hα-helixtrans-68.9-43.2176.6-63172000110.4T28 N453 N459T28-I455 HydrophobicContact CG2-CG2 3.98Å; N453-I455 PolarHBondContact O-N 2.93Å; N453-I455 VanDerWaalsContact O-N 3.12Å; N453-I455 PolarHBondContact OD1-N 3.48Å; I455-N459 WeakPolarHBondContact O-CB 3.24Å; I455-N459 PolarHBondContact O-N 3.41Å; I455-N459 PolarHBondContact O-ND2 3.47Å
456N88.3Confident89.2Confident41 Ų4139.6 Ų39.622%0.21921%0.205CC..Hα-helixtrans-66.9-48176.9-72.8-12.7000110.6N453 Y458 N459 L460N453-N456 HydrophobicContact CB-CB 4.09Å; N453-N456 PolarHBondContact ND2-ND2 3.1Å; N453-N456 PolarHBondContact O-N 2.81Å; N453-N456 PolarHBondContact OD1-N 2.6Å; N456-Y458 PolarHBondContact O-N 2.99Å; N456-N459 PolarHBondContact O-N 3.09Å; N456-L460 WeakPolarHBondContact O-CG 3.21Å; N456-L460 PolarHBondContact O-N 3Å; N456-L460 VanDerWaalsContact O-N 3.13Å
457Y91.8Very high87.7Confident9 Ų941.8 Ų41.84%0.03522%0.215CC..Hα-helixtrans-54-54.1176.3174.4-101.8000111.5N444 F447 H450 R451 N453 N459 L460 V461 L493N444-Y457 PolarHBondContact OD1-OH 3.06Å; F447-Y457 HydrophobicContact CB-CD2 4.32Å; F447-Y457 HydrophobicContact CB-CE2 4.34Å; F447-Y457 WeakPolarHBondContact O-CD2 3.43Å; H450-Y457 WeakPolarHBondContact O-CB 3.36Å; R451-Y457 HydrophobicContact CG-CD2 3.89Å; R451-Y457 HydrophobicContact CG-CE2 4.01Å; R451-Y457 HydrophobicContact CG-CG 4.26Å; N453-Y457 PolarHBondContact O-N 2.88Å; Y457-N459 VanDerWaalsContact C-N 3.32Å; Y457-N459 PolarHBondContact O-N 3.32Å; Y457-L460 PolarHBondContact O-N 3.37Å; Y457-L460 VanDerWaalsContact O-N 3.1Å; Y457-V461 HydrophobicContact CD1-CG2 4.39Å; Y457-V461 HydrophobicContact CD2-CG1 4.37Å; Y457-V461 HydrophobicContact CE1-CG1 4.46Å; Y457-V461 HydrophobicContact CE1-CG2 4.01Å; Y457-V461 HydrophobicContact CE2-CG1 3.85Å; Y457-V461 WeakPolarHBondContact O-CG2 3.32Å; Y457-V461 PolarHBondContact O-N 3.02Å; Y457-V461 VanDerWaalsContact O-N 3.09Å; Y457-L493 HydrophobicContact CD1-CD2 4.39Å; Y457-L493 HydrophobicContact CE1-CD2 4.24Å
458Y91.7Very high86Confident6 Ų644.6 Ų44.62%0.02423%0.229CC..Hα-helixtrans-54.5-46.7177.5168.7-108.1000111.8P454 N456 L460 V461 K462 L465 L493 I498 M500P454-Y458 WeakPolarHBondContact O-CB 3.48Å; P454-Y458 PolarHBondContact O-N 2.72Å; N456-Y458 PolarHBondContact O-N 2.99Å; Y458-L460 PolarHBondContact O-N 3.21Å; Y458-V461 PolarHBondContact O-N 3.37Å; Y458-K462 HydrophobicContact CD2-CB 4.19Å; Y458-K462 HydrophobicContact CE1-CB 4.29Å; Y458-K462 HydrophobicContact CE1-CD 4.13Å; Y458-K462 HydrophobicContact CE2-CB 3.7Å; Y458-K462 WeakPolarHBondContact O-CA 3.49Å; Y458-K462 WeakPolarHBondContact O-CB 3.48Å; Y458-K462 PolarHBondContact O-N 3.06Å; Y458-L465 HydrophobicContact CD2-CD1 3.97Å; Y458-L465 HydrophobicContact CE2-CD1 3.62Å; Y458-L493 HydrophobicContact CD2-CD1 4.43Å; Y458-I498 HydrophobicContact CD1-CB 4.33Å; Y458-I498 HydrophobicContact CD1-CD1 4.45Å; Y458-I498 HydrophobicContact CD1-CG2 4.46Å; Y458-I498 HydrophobicContact CD2-CD1 3.66Å; Y458-I498 HydrophobicContact CE2-CD1 3.87Å; Y458-I498 HydrophobicContact CG-CB 4.31Å; Y458-I498 HydrophobicContact CG-CD1 3.99Å; Y458-I498 HydrophobicContact CG-CG2 4.11Å; Y458-M500 HydrophobicContact CE2-CE 4Å; Y458-M500 WeakPolarHBondContact OH-CA 3.01Å
459N88.7Confident83.9Confident42 Ų4243.6 Ų43.623%0.22522%0.223CC..Hα-helixtrans-65.7-24.4-178.7-80.1-56.6000114.4I455 N456 Y457 K462I455-N459 WeakPolarHBondContact O-CB 3.24Å; I455-N459 PolarHBondContact O-N 3.41Å; I455-N459 PolarHBondContact O-ND2 3.47Å; N456-N459 PolarHBondContact O-N 3.09Å; Y457-N459 VanDerWaalsContact C-N 3.32Å; Y457-N459 PolarHBondContact O-N 3.32Å; N459-K462 PolarHBondContact OD1-NZ 2.88Å
460L90.3Very high81.8Confident62 Ų6243 Ų4333%0.32521%0.212SC..Hα-helixtrans-80.2-37.8174.7-67.4166.2000111.8F447 H450 N456 Y457 Y458F447-L460 HydrophobicContact CB-CB 4.25Å; F447-L460 HydrophobicContact CB-CD1 4.36Å; F447-L460 HydrophobicContact CD1-CB 3.98Å; F447-L460 HydrophobicContact CD1-CD1 3.8Å; F447-L460 HydrophobicContact CD1-CD2 4.39Å; F447-L460 HydrophobicContact CD1-CG 4.28Å; F447-L460 HydrophobicContact CD2-CB 3.94Å; F447-L460 HydrophobicContact CE1-CB 4.32Å; F447-L460 HydrophobicContact CE1-CD1 4.41Å; F447-L460 HydrophobicContact CE1-CD2 4.2Å; F447-L460 HydrophobicContact CE2-CB 4.29Å; F447-L460 HydrophobicContact CG-CB 3.78Å; F447-L460 HydrophobicContact CG-CD1 4.19Å; F447-L460 HydrophobicContact CZ-CB 4.47Å; H450-L460 HydrophobicContact CB-CD1 4.28Å; H450-L460 WeakPolarHBondContact CD2-CD1 3.44Å; N456-L460 WeakPolarHBondContact O-CG 3.21Å; N456-L460 PolarHBondContact O-N 3Å; N456-L460 VanDerWaalsContact O-N 3.13Å; Y457-L460 PolarHBondContact O-N 3.37Å; Y457-L460 VanDerWaalsContact O-N 3.1Å; Y458-L460 PolarHBondContact O-N 3.21Å
461V91.6Very high79.4Confident0 Ų046 Ų460%022%0.221CC..Hα-helixtrans-90.9-17-177.8-57.30000114.1F447 Y457 Y458 G463 Y464 L465F447-V461 HydrophobicContact CB-CG1 4.14Å; F447-V461 HydrophobicContact CD2-CG1 3.97Å; Y457-V461 HydrophobicContact CD1-CG2 4.39Å; Y457-V461 HydrophobicContact CD2-CG1 4.37Å; Y457-V461 HydrophobicContact CE1-CG1 4.46Å; Y457-V461 HydrophobicContact CE1-CG2 4.01Å; Y457-V461 HydrophobicContact CE2-CG1 3.85Å; Y457-V461 WeakPolarHBondContact O-CG2 3.32Å; Y457-V461 PolarHBondContact O-N 3.02Å; Y457-V461 VanDerWaalsContact O-N 3.09Å; Y458-V461 PolarHBondContact O-N 3.37Å; V461-G463 VanDerWaalsContact C-N 3.33Å; V461-G463 PolarHBondContact O-N 2.56Å; V461-G463 VanDerWaalsContact O-N 3.16Å; V461-Y464 WeakPolarHBondContact O-CA 3.38Å; V461-Y464 WeakPolarHBondContact O-CB 3.4Å; V461-Y464 PolarHBondContact O-N 3.35Å; V461-L465 HydrophobicContact CG2-CD2 4.35Å; V461-L465 PolarHBondContact O-N 3.15Å
462K88.5Confident77.1Confident59 Ų5943.6 Ų43.626%0.25722%0.219SC..Hα-helixtrans-55.3-40.1-165.762.7179.1-180-174.50114.8Y458 N459 Y464 L465Y458-K462 HydrophobicContact CD2-CB 4.19Å; Y458-K462 HydrophobicContact CE1-CB 4.29Å; Y458-K462 HydrophobicContact CE1-CD 4.13Å; Y458-K462 HydrophobicContact CE2-CB 3.7Å; Y458-K462 WeakPolarHBondContact O-CA 3.49Å; Y458-K462 WeakPolarHBondContact O-CB 3.48Å; Y458-K462 PolarHBondContact O-N 3.06Å; N459-K462 PolarHBondContact OD1-NZ 2.88Å; K462-Y464 PolarHBondContact O-N 2.93Å; K462-L465 HydrophobicContact CB-CD1 4.37Å; K462-L465 WeakPolarHBondContact O-CB 3.45Å; K462-L465 PolarHBondContact O-N 3.49Å; K462-L465 VanDerWaalsContact O-N 3.1Å
463G85.1Confident74.5Confident9 Ų943 Ų439%0.09322%0.223CC..Hα-helixtrans-70.8-16.1179.400000113.5H425 V428 V461 E467H425-G463 WeakPolarHBondContact NE2-CA 3.2Å; V428-G463 VanDerWaalsContact CG2-O 3.29Å; V428-G463 WeakPolarHBondContact CG2-O 3.2Å; V461-G463 VanDerWaalsContact C-N 3.33Å; V461-G463 PolarHBondContact O-N 2.56Å; V461-G463 VanDerWaalsContact O-N 3.16Å; G463-E467 WeakPolarHBondContact O-CB 3.46Å
464Y88.4Confident72Confident5 Ų547.1 Ų47.12%0.0225%0.245CC..Hα-helixtrans-92.8-9.8173.1-51.5-80000112.7M420 L426 V428 L439 S443 V461 K462M420-Y464 HydrophobicContact CE-CE1 4.47Å; M420-Y464 HydrophobicContact SD-CE1 4.24Å; L426-Y464 HydrophobicContact CB-CE1 4.44Å; L426-Y464 PolarHBondContact N-OH 3.24Å; V428-Y464 HydrophobicContact CG1-CD1 4.06Å; V428-Y464 HydrophobicContact CG1-CE1 3.88Å; V428-Y464 HydrophobicContact CG2-CD1 4.35Å; L439-Y464 HydrophobicContact CB-CD1 4.12Å; S443-Y464 WeakPolarHBondContact OG-CD2 3.37Å; V461-Y464 WeakPolarHBondContact O-CA 3.38Å; V461-Y464 WeakPolarHBondContact O-CB 3.4Å; V461-Y464 PolarHBondContact O-N 3.35Å; K462-Y464 PolarHBondContact O-N 2.93Å
465L87.3Confident69.7Low1 Ų152.2 Ų52.21%0.00526%0.259CS..Hα-helixtrans-67.8-44.5173.6-58.8177.1000110.7Y440 Y458 V461 K462 G483 G484 A485 I490 L493 M500 T504 L508Y440-L465 HydrophobicContact CD2-CD2 3.99Å; Y440-L465 HydrophobicContact CE2-CD2 3.4Å; Y458-L465 HydrophobicContact CD2-CD1 3.97Å; Y458-L465 HydrophobicContact CE2-CD1 3.62Å; V461-L465 HydrophobicContact CG2-CD2 4.35Å; V461-L465 PolarHBondContact O-N 3.15Å; K462-L465 HydrophobicContact CB-CD1 4.37Å; K462-L465 WeakPolarHBondContact O-CB 3.45Å; K462-L465 PolarHBondContact O-N 3.49Å; K462-L465 VanDerWaalsContact O-N 3.1Å; L465-G483 CarbonylContact O-C 3.46Å; L465-G483 VanDerWaalsContact O-CA 3.3Å; L465-G483 WeakPolarHBondContact O-CA 3.49Å; L465-G484 PolarHBondContact O-N 2.97Å; L465-G484 VanDerWaalsContact O-N 3.09Å; L465-A485 HydrophobicContact CB-CB 4.32Å; L465-A485 HydrophobicContact CD2-CB 3.67Å; L465-A485 PolarHBondContact O-N 2.76Å; L465-I490 HydrophobicContact CB-CD1 4.39Å; L465-I490 HydrophobicContact CD1-CD1 4.4Å; L465-I490 HydrophobicContact CD2-CD1 3.92Å; L465-I490 HydrophobicContact CG-CD1 4.47Å; L465-L493 HydrophobicContact CD1-CD1 3.77Å; L465-L493 HydrophobicContact CD2-CD1 4Å; L465-M500 HydrophobicContact CD1-CE 4.06Å; L465-T504 HydrophobicContact CD1-CG2 4.38Å; L465-L508 HydrophobicContact CB-CD2 3.78Å
466G70.2Confident67.4Low3 Ų356.3 Ų56.33%0.03129%0.287CS..  trans-175.5124.2175.300000107.5S507G466-S507 VanDerWaalsContact CA-O 3.28Å; G466-S507 WeakPolarHBondContact CA-O 3.21Å; G466-S507 WeakPolarHBondContact CA-OG 3.47Å; G466-S507 WeakPolarHBondContact O-CB 3.21Å; G466-S507 PolarHBondContact O-OG 3.18Å
467E65.8Low65.3Low47 Ų4761.6 Ų61.622%0.2232%0.321CS..  trans-115.7129.8170.2-168.2162.9-157.100108.8H425 V428 A429 K436 G463H425-E467 IonicContact CE1-OE1 3.68Å; H425-E467 IonicContact CE1-OE2 2.87Å; V428-E467 HydrophobicContact CG2-CB 3.85Å; V428-E467 WeakPolarHBondContact CG2-OE2 3.47Å; V428-E467 PolarHBondContact N-OE2 3.31Å; A429-E467 HydrophobicContact CB-CG 4.05Å; K436-E467 PolarHBondContact NZ-O 3.34Å; G463-E467 WeakPolarHBondContact O-CB 3.46Å
468H58.1Low62.9Low73 Ų7370.5 Ų70.534%0.33836%0.36SS..  trans-97.4131.7-174.2-139.2-63.5000111W470H468-W470 PolarHBondContact O-N 2.81Å; H468-W470 VanDerWaalsContact O-N 3.14Å
469A49.4Very low60.8Low27 Ų2776.1 Ų76.122%0.22339%0.39CS..  trans-78.318.7178.300000115.1A429 Y471 L472A429-A469 HydrophobicContact CB-CB 4.19Å; A469-Y471 PolarHBondContact O-N 3.11Å; A469-Y471 VanDerWaalsContact O-N 3.09Å; A469-L472 HydrophobicContact CB-CD1 4.39Å; A469-L472 PolarHBondContact O-N 3.5Å; A469-L472 VanDerWaalsContact O-N 3.08Å
470W47.2Very low59.2Low70 Ų7077 Ų7727%0.26540%0.399SS..THydrogen-bonded Turntrans-65.5-20.5-165.573.7-108000114.7H468 L472H468-W470 PolarHBondContact O-N 2.81Å; H468-W470 VanDerWaalsContact O-N 3.14Å; W470-L472 VanDerWaalsContact C-N 3.26Å; W470-L472 PolarHBondContact O-N 2.8Å
471Y42.1Very low57.7Low131 Ų13174.3 Ų74.351%0.51439%0.385SS..THydrogen-bonded Turntrans-77.2-4.3176.7-68-79.4000114.4A469 P473A469-Y471 PolarHBondContact O-N 3.11Å; A469-Y471 VanDerWaalsContact O-N 3.09Å; Y471-P473 WeakPolarHBondContact O-CD 3.25Å
472L39.9Very low56.5Low92 Ų9275.6 Ų75.648%0.48239%0.393SS..  trans-92112.6-178.5-63.8180000110.9A469 W470 N474A469-L472 HydrophobicContact CB-CD1 4.39Å; A469-L472 PolarHBondContact O-N 3.5Å; A469-L472 VanDerWaalsContact O-N 3.08Å; W470-L472 VanDerWaalsContact C-N 3.26Å; W470-L472 PolarHBondContact O-N 2.8Å; L472-N474 PolarHBondContact O-N 2.02Å
473P35.8Very low55.9Low126 Ų12673 Ų7382%0.81838%0.382SS*.THydrogen-bonded Turntrans-63.5-4.9-173-21.432.4000116.1Y471Y471-P473 WeakPolarHBondContact O-CD 3.25Å
474N36.1Very low55.8Low133 Ų13372.7 Ų72.771%0.71138%0.379SS*.THydrogen-bonded Turntrans-131.18-166.8-74.2-21000114.8L472 P476L472-N474 PolarHBondContact O-N 2.02Å; N474-P476 WeakPolarHBondContact O-CD 3.44Å
475Y39.8Very low56Low146 Ų14672.7 Ų72.757%0.57338%0.381SS*.  trans-89.2113.7177.1-124.1-91.8000110.2T477Y475-T477 PolarHBondContact O-N 2.86Å
476P38.4Very low56.2Low101 Ų10174.8 Ų74.866%0.65639%0.394SS*.  trans-61.3125.5175.923.6-29.5000109.1N474 K478N474-P476 WeakPolarHBondContact O-CD 3.44Å; P476-K478 PolarHBondContact O-N 3.43Å
477T44.2Very low57.3Low151 Ų15178.7 Ų78.793%0.92641%0.412SS*.SBendtrans-65.348.9-175.652.30000113.8Y475Y475-T477 PolarHBondContact O-N 2.86Å
478K42.6Very low58.6Low197 Ų19779.9 Ų79.986%0.85743%0.429SS*.  trans-104.2-8.2-169.9-126.1-175.6-178.1-175.20115.5P476P476-K478 PolarHBondContact O-N 3.43Å
479D46.4Very low60.3Low123 Ų12378.5 Ų78.566%0.65842%0.424SS*.SBendtrans-118.3114.8175.8-140.7-20.7000111V482D479-V482 HydrophobicContact CB-CG1 4.36Å
480P55.2Low62.5Low62 Ų6277.3 Ų77.340%0.40341%0.414SS..  trans-64.2137.1175.427.6-34.9000109.9V482 I510P480-V482 PolarHBondContact O-N 3.02Å; P480-V482 VanDerWaalsContact O-N 3.16Å; P480-I510 HydrophobicContact CB-CB 4.34Å; P480-I510 HydrophobicContact CB-CG1 4.4Å; P480-I510 HydrophobicContact CG-CG2 4.33Å
481S59.3Low64.7Low5 Ų574.8 Ų74.84%0.03541%0.408CS..  trans34.176.2147.5-61.60000114R506 L508 D509 I510 V540S481-R506 WeakPolarHBondContact CB-O 3.33Å; S481-R506 PolarHBondContact OG-O 3.2Å; S481-L508 CarbonylContact C-O 3.5Å; S481-L508 VanDerWaalsContact C-O 3.31Å; S481-L508 WeakPolarHBondContact CB-O 3.23Å; S481-L508 VanDerWaalsContact O-O 3.11Å; S481-D509 CarbonylContact O-C 3.45Å; S481-D509 VanDerWaalsContact O-CA 3.23Å; S481-D509 WeakPolarHBondContact O-CA 3.44Å; S481-I510 PolarHBondContact O-N 3.12Å; S481-V540 WeakPolarHBondContact OG-CG2 3.39Å
482V65.9Low67.2Low27 Ų2770.3 Ų70.316%0.16440%0.398CS..  trans-97.287.8-177.2-75.90000109.3T433 K436 D479 P480T433-V482 WeakPolarHBondContact OG1-CG1 3.44Å; K436-V482 WeakPolarHBondContact CD-O 3.42Å; K436-V482 WeakPolarHBondContact CE-O 3.27Å; K436-V482 VanDerWaalsContact NZ-CG2 3.26Å; K436-V482 PolarHBondContact NZ-O 3.27Å; D479-V482 HydrophobicContact CB-CG1 4.36Å; P480-V482 PolarHBondContact O-N 3.02Å; P480-V482 VanDerWaalsContact O-N 3.16Å
483G77.2Confident69.8Low3 Ų366.1 Ų66.13%0.03138%0.376CS..  trans-102.2150.4-179.600000112.8L465L465-G483 CarbonylContact O-C 3.46Å; L465-G483 VanDerWaalsContact O-CA 3.3Å; L465-G483 WeakPolarHBondContact O-CA 3.49Å
484G83.2Confident72.7Confident4 Ų460.7 Ų60.74%0.04134%0.341CS..  trans-90.2-23179.300000114.1R437 L465R437-G484 WeakPolarHBondContact CA-O 3.39Å; L465-G484 PolarHBondContact O-N 2.97Å; L465-G484 VanDerWaalsContact O-N 3.09Å
485A91.1Very high75.4Confident5 Ų563.5 Ų63.54%0.04134%0.342CS..SBendtrans-80134.6-171.100000112.9Y440 L465 I490Y440-A485 HydrophobicContact CD1-CB 4.21Å; Y440-A485 HydrophobicContact CD2-CB 3.96Å; Y440-A485 HydrophobicContact CE1-CB 4.06Å; Y440-A485 HydrophobicContact CE2-CB 3.82Å; Y440-A485 HydrophobicContact CG-CB 4.15Å; L465-A485 HydrophobicContact CB-CB 4.32Å; L465-A485 HydrophobicContact CD2-CB 3.67Å; L465-A485 PolarHBondContact O-N 2.76Å; A485-I490 HydrophobicContact CB-CD1 3.68Å; A485-I490 HydrophobicContact CB-CG1 4Å
486P92.2Very high77.8Confident44 Ų4459.7 Ų59.729%0.28633%0.329SS..  trans-71153.8176.431-33.4000111.2Y440 A488 D489 I490Y440-P486 HydrophobicContact CE1-CG 4.21Å; P486-A488 PolarHBondContact O-N 2.92Å; P486-A488 VanDerWaalsContact O-N 3.15Å; P486-D489 HydrophobicContact CG-CB 4.01Å; P486-D489 PolarHBondContact O-N 3.38Å; P486-D489 VanDerWaalsContact O-N 3.07Å; P486-I490 PolarHBondContact O-N 2.97Å
487Q92.3Very high80.2Confident86 Ų8659.5 Ų59.540%0.40232%0.323SS..Hα-helixtrans-53.2-39.2-179.8-177.9179.2-30.100113.3D489 I490 A491 V512 N515Q487-D489 VanDerWaalsContact C-N 3.3Å; Q487-D489 PolarHBondContact O-N 3.1Å; Q487-I490 PolarHBondContact O-N 3.34Å; Q487-A491 VanDerWaalsContact O-CB 3.32Å; Q487-A491 WeakPolarHBondContact O-CB 3.39Å; Q487-A491 PolarHBondContact O-N 3.18Å; Q487-V512 HydrophobicContact CB-CG1 4.32Å; Q487-V512 HydrophobicContact CB-CG2 4.09Å; Q487-V512 HydrophobicContact CG-CG1 4.49Å; Q487-N515 PolarHBondContact OE1-ND2 2.93Å
488A93.9Very high82.4Confident71 Ų7152.3 Ų52.359%0.58728%0.279SS*.Hα-helixtrans-60.8-40-179.100000112.2P486 A491 A492P486-A488 PolarHBondContact O-N 2.92Å; P486-A488 VanDerWaalsContact O-N 3.15Å; A488-A491 PolarHBondContact O-N 3.44Å; A488-A492 WeakPolarHBondContact O-CB 3.27Å; A488-A492 PolarHBondContact O-N 3.07Å
489D94.1Very high84.8Confident45 Ų4543.4 Ų43.424%0.24124%0.242CC..Hα-helixtrans-73.9-41.2-178.9-72.32.8000111Y440 N444 P486 Q487 A491 A492 L493Y440-D489 VanDerWaalsContact CE1-OD2 3.24Å; Y440-D489 WeakPolarHBondContact CE1-OD2 3.36Å; Y440-D489 WeakPolarHBondContact OH-CB 3.3Å; Y440-D489 VanDerWaalsContact OH-CG 3.28Å; Y440-D489 PolarHBondContact OH-OD2 2.87Å; N444-D489 PolarHBondContact ND2-OD2 3.13Å; P486-D489 HydrophobicContact CG-CB 4.01Å; P486-D489 PolarHBondContact O-N 3.38Å; P486-D489 VanDerWaalsContact O-N 3.07Å; Q487-D489 VanDerWaalsContact C-N 3.3Å; Q487-D489 PolarHBondContact O-N 3.1Å; D489-A491 VanDerWaalsContact C-N 3.35Å; D489-A491 PolarHBondContact O-N 3.46Å; D489-A492 WeakPolarHBondContact O-CB 3.21Å; D489-A492 PolarHBondContact O-N 3.19Å; D489-A492 VanDerWaalsContact O-N 3.16Å; D489-L493 WeakPolarHBondContact O-CG 3.46Å; D489-L493 PolarHBondContact O-N 2.91Å
490I95.1Very high87Confident1 Ų137.6 Ų37.61%0.00521%0.21CC..Hα-helixtrans-61.7-44173.1-61.3-53.2000110.8L465 A485 P486 Q487 A492 L493 S494 L508 V512 L516 L524L465-I490 HydrophobicContact CB-CD1 4.39Å; L465-I490 HydrophobicContact CD1-CD1 4.4Å; L465-I490 HydrophobicContact CD2-CD1 3.92Å; L465-I490 HydrophobicContact CG-CD1 4.47Å; A485-I490 HydrophobicContact CB-CD1 3.68Å; A485-I490 HydrophobicContact CB-CG1 4Å; P486-I490 PolarHBondContact O-N 2.97Å; Q487-I490 PolarHBondContact O-N 3.34Å; I490-A492 VanDerWaalsContact C-N 3.29Å; I490-A492 PolarHBondContact O-N 3.19Å; I490-L493 HydrophobicContact CD1-CD1 4.2Å; I490-L493 PolarHBondContact O-N 3.3Å; I490-S494 PolarHBondContact O-N 3.49Å; I490-S494 VanDerWaalsContact O-N 3.13Å; I490-L508 HydrophobicContact CD1-CD1 4.35Å; I490-L508 HydrophobicContact CD1-CD2 3.81Å; I490-L508 HydrophobicContact CG1-CD1 4.45Å; I490-L508 HydrophobicContact CG1-CD2 4.46Å; I490-L508 HydrophobicContact CG2-CD1 3.95Å; I490-V512 HydrophobicContact CB-CG1 3.94Å; I490-V512 HydrophobicContact CG1-CG1 3.88Å; I490-V512 HydrophobicContact CG2-CG1 4.08Å; I490-L516 HydrophobicContact CG2-CD1 4.11Å; I490-L516 HydrophobicContact CG2-CD2 3.88Å; I490-L524 HydrophobicContact CG2-CD1 3.72Å; I490-L524 HydrophobicContact CG2-CD2 4.28Å
491A94.4Very high88.8Confident18 Ų1835.7 Ų35.715%0.14920%0.197CC..Hα-helixtrans-62.9-35.5174.800000112.1Q487 A488 D489 S494 R495Q487-A491 VanDerWaalsContact O-CB 3.32Å; Q487-A491 WeakPolarHBondContact O-CB 3.39Å; Q487-A491 PolarHBondContact O-N 3.18Å; A488-A491 PolarHBondContact O-N 3.44Å; D489-A491 VanDerWaalsContact C-N 3.35Å; D489-A491 PolarHBondContact O-N 3.46Å; A491-S494 PolarHBondContact O-N 3.15Å; A491-S494 PolarHBondContact O-OG 3.45Å; A491-R495 PolarHBondContact O-NH1 3.39Å
492A94.3Very high90.3Very high36 Ų3635.5 Ų35.530%0.29820%0.196SC..Hα-helixtrans-65.8-44.1174.200000112A488 D489 I490 S494 R495A488-A492 WeakPolarHBondContact O-CB 3.27Å; A488-A492 PolarHBondContact O-N 3.07Å; D489-A492 WeakPolarHBondContact O-CB 3.21Å; D489-A492 PolarHBondContact O-N 3.19Å; D489-A492 VanDerWaalsContact O-N 3.16Å; I490-A492 VanDerWaalsContact C-N 3.29Å; I490-A492 PolarHBondContact O-N 3.19Å; A492-S494 PolarHBondContact O-N 3.38Å; A492-R495 PolarHBondContact O-N 3.19Å; A492-R495 VanDerWaalsContact O-N 3.08Å
493L94.3Very high91.3Very high5 Ų535.2 Ų35.23%0.02619%0.193CC..Hα-helixtrans-58.4-34.4176-73.8175.1000112.4Y457 Y458 L465 D489 I490 R495 Q496 I498 L524Y457-L493 HydrophobicContact CD1-CD2 4.39Å; Y457-L493 HydrophobicContact CE1-CD2 4.24Å; Y458-L493 HydrophobicContact CD2-CD1 4.43Å; L465-L493 HydrophobicContact CD1-CD1 3.77Å; L465-L493 HydrophobicContact CD2-CD1 4Å; D489-L493 WeakPolarHBondContact O-CG 3.46Å; D489-L493 PolarHBondContact O-N 2.91Å; I490-L493 HydrophobicContact CD1-CD1 4.2Å; I490-L493 PolarHBondContact O-N 3.3Å; L493-R495 PolarHBondContact O-N 3.2Å; L493-Q496 WeakPolarHBondContact O-CB 3.06Å; L493-Q496 PolarHBondContact O-N 3.33Å; L493-I498 HydrophobicContact CB-CD1 4.05Å; L493-L524 HydrophobicContact CB-CD2 3.83Å
494S95.7Very high91.9Very high12 Ų1235.7 Ų35.78%0.08420%0.195CC..THydrogen-bonded Turntrans-58.4-18.8177.377.70000114.1I490 A491 A492 N520 G523I490-S494 PolarHBondContact O-N 3.49Å; I490-S494 VanDerWaalsContact O-N 3.13Å; A491-S494 PolarHBondContact O-N 3.15Å; A491-S494 PolarHBondContact O-OG 3.45Å; A492-S494 PolarHBondContact O-N 3.38Å; S494-N520 WeakPolarHBondContact CB-O 3.02Å; S494-N520 PolarHBondContact OG-ND2 3.31Å; S494-G523 CarbonylContact O-C 3.31Å; S494-G523 VanDerWaalsContact O-CA 3.29Å; S494-G523 WeakPolarHBondContact O-CA 3.29Å
495R94.4Very high92.4Very high191 Ų19135.5 Ų35.572%0.72119%0.193SC*.THydrogen-bonded Turntrans-98.72.5-179.6-54-175.9-171.4101.1-0.2113.4A491 A492 L493A491-R495 PolarHBondContact O-NH1 3.39Å; A492-R495 PolarHBondContact O-N 3.19Å; A492-R495 VanDerWaalsContact O-N 3.08Å; L493-R495 PolarHBondContact O-N 3.2Å
496Q90.4Very high92.3Very high66 Ų6635.9 Ų35.931%0.30819%0.194SC..SBendtrans-104.513-168.1-69.3-1736.700114.6P454 L493 I498P454-Q496 HydrophobicContact CB-CB 3.76Å; P454-Q496 HydrophobicContact CB-CG 4.35Å; P454-Q496 HydrophobicContact CG-CB 4.33Å; L493-Q496 WeakPolarHBondContact O-CB 3.06Å; L493-Q496 PolarHBondContact O-N 3.33Å; Q496-I498 VanDerWaalsContact C-N 3.27Å; Q496-I498 HydrophobicContact CB-CG2 4.25Å; Q496-I498 PolarHBondContact O-N 3.3Å
497N87.5Confident92.1Very high97 Ų9733.9 Ų33.952%0.51918%0.181SC..  trans51.246.1179.3-170.530.4000112.6K30K30-N497 PolarHBondContact NZ-OD1 3.36Å
498I91.7Very high92Very high1 Ų129.8 Ų29.81%0.00516%0.162CC..  trans-87.3179.6173.662.1161.2000109.6Y458 L493 Q496 M500 L524Y458-I498 HydrophobicContact CD1-CB 4.33Å; Y458-I498 HydrophobicContact CD1-CD1 4.45Å; Y458-I498 HydrophobicContact CD1-CG2 4.46Å; Y458-I498 HydrophobicContact CD2-CD1 3.66Å; Y458-I498 HydrophobicContact CE2-CD1 3.87Å; Y458-I498 HydrophobicContact CG-CB 4.31Å; Y458-I498 HydrophobicContact CG-CD1 3.99Å; Y458-I498 HydrophobicContact CG-CG2 4.11Å; L493-I498 HydrophobicContact CB-CD1 4.05Å; Q496-I498 VanDerWaalsContact C-N 3.27Å; Q496-I498 HydrophobicContact CB-CG2 4.25Å; Q496-I498 PolarHBondContact O-N 3.3Å; I498-M500 HydrophobicContact CD1-CB 4.4Å; I498-M500 HydrophobicContact CD1-CE 4.48Å; I498-L524 HydrophobicContact CD1-CD2 4.15Å
499S92.3Very high91.7Very high10 Ų1027.6 Ų27.67%0.0714%0.14CC..  trans-139.484.6170.1-58.50000108M525 E527 N528S499-M525 WeakPolarHBondContact CA-O 3.33Å; S499-E527 PolarHBondContact OG-N 3.34Å; S499-N528 PolarHBondContact O-ND2 2.99Å; S499-N528 VanDerWaalsContact O-ND2 3.13Å
500M93.4Very high91.4Very high0 Ų026.1 Ų26.10%013%0.132CC..  trans-65.8128.7176.9-178.5176.7-75.700109.2Y458 L465 I498 T504 F505 L508 L524 N528Y458-M500 HydrophobicContact CE2-CE 4Å; Y458-M500 WeakPolarHBondContact OH-CA 3.01Å; L465-M500 HydrophobicContact CD1-CE 4.06Å; I498-M500 HydrophobicContact CD1-CB 4.4Å; I498-M500 HydrophobicContact CD1-CE 4.48Å; M500-T504 HydrophobicContact CE-CG2 4.15Å; M500-T504 HydrophobicContact CG-CG2 3.89Å; M500-T504 HydrophobicContact SD-CG2 4.18Å; M500-F505 HydrophobicContact CG-CB 4.43Å; M500-F505 HydrophobicContact SD-CB 4.06Å; M500-L508 HydrophobicContact CE-CD1 4.45Å; M500-L508 HydrophobicContact SD-CD1 4.17Å; M500-L524 HydrophobicContact CB-CB 4.41Å; M500-L524 WeakPolarHBondContact CB-O 3.38Å; M500-L524 HydrophobicContact CE-CD2 3.86Å; M500-L524 PolarHBondContact N-O 2.89Å; M500-L524 HydrophobicContact SD-CB 4.31Å; M500-N528 VanDerWaalsContact C-ND2 3.33Å; M500-N528 WeakPolarHBondContact O-CB 3.4Å; M500-N528 PolarHBondContact O-ND2 3.36Å
501D91.5Very high91.1Very high22 Ų2230.8 Ų30.812%0.11816%0.157CC..  trans-74.5155.8172.653.775.1000111.3P58 D503 T504 F505 N528P58-D501 HydrophobicContact CB-CB 3.59Å; P58-D501 HydrophobicContact CG-CB 3.89Å; D501-D503 PolarHBondContact O-N 3.21Å; D501-D503 WeakPolarHBondContact OD1-CB 3.26Å; D501-D503 PolarHBondContact OD1-N 2.95Å; D501-T504 VanDerWaalsContact CG-OG1 3.27Å; D501-T504 PolarHBondContact O-N 3.27Å; D501-T504 VanDerWaalsContact O-N 3.17Å; D501-T504 VanDerWaalsContact OD1-CB 3.31Å; D501-T504 WeakPolarHBondContact OD1-CB 3.48Å; D501-T504 PolarHBondContact OD1-N 3.09Å; D501-T504 PolarHBondContact OD1-OG1 2.91Å; D501-T504 PolarHBondContact OD2-OG1 3.15Å; D501-F505 PolarHBondContact O-N 2.87Å; D501-N528 PolarHBondContact N-ND2 3.22Å
502V91Very high91Very high2 Ų230.4 Ų30.41%0.01215%0.153CC..Hα-helixtrans-64.3-25.6-177.369.90000112.4R506 M525 D531 F535V502-R506 HydrophobicContact CG2-CG 4.33Å; V502-R506 WeakPolarHBondContact O-CB 3.5Å; V502-R506 WeakPolarHBondContact O-CG 3.17Å; V502-R506 PolarHBondContact O-N 3.17Å; V502-R506 PolarHBondContact O-NE 3.48Å; V502-M525 HydrophobicContact CB-CE 4.4Å; V502-D531 HydrophobicContact CB-CB 3.93Å; V502-D531 HydrophobicContact CG1-CB 4.08Å; V502-D531 HydrophobicContact CG2-CB 4.45Å; V502-F535 HydrophobicContact CB-CD2 4.33Å; V502-F535 HydrophobicContact CG1-CD2 3.63Å; V502-F535 HydrophobicContact CG1-CE2 3.47Å; V502-F535 VanDerWaalsContact CG1-CE2 3.47Å; V502-F535 HydrophobicContact CG1-CG 4.25Å; V502-F535 HydrophobicContact CG1-CZ 3.94Å; V502-F535 HydrophobicContact CG2-CB 4.12Å; V502-F535 HydrophobicContact CG2-CD2 4.01Å; V502-F535 HydrophobicContact CG2-CG 4.11Å
503D87.9Confident90.9Very high21 Ų2128.7 Ų28.711%0.11214%0.139CC..Hα-helixtrans-65.5-48.2173.6-69.9-27.8000110.8P58 D501 F505 R506 S507P58-D503 WeakPolarHBondContact CG-OD2 3.45Å; D501-D503 PolarHBondContact O-N 3.21Å; D501-D503 WeakPolarHBondContact OD1-CB 3.26Å; D501-D503 PolarHBondContact OD1-N 2.95Å; D503-F505 VanDerWaalsContact C-N 3.35Å; D503-R506 PolarHBondContact O-N 3.05Å; D503-R506 IonicContact OD1-CZ 3.83Å; D503-R506 IonicContact OD1-NH2 3.16Å; D503-R506 PolarHBondContact OD1-NH2 3.22Å; D503-S507 WeakPolarHBondContact O-CB 3.25Å; D503-S507 PolarHBondContact O-N 2.94Å; D503-S507 VanDerWaalsContact O-N 3.15Å; D503-S507 PolarHBondContact O-OG 2.93Å
504T90Very high90.7Very high13 Ų1330 Ų308%0.0815%0.147CC..Hα-helixtrans-64.4-38.2175.7-55.20000111.6L465 M500 D501 S507 L508L465-T504 HydrophobicContact CD1-CG2 4.38Å; M500-T504 HydrophobicContact CE-CG2 4.15Å; M500-T504 HydrophobicContact CG-CG2 3.89Å; M500-T504 HydrophobicContact SD-CG2 4.18Å; D501-T504 VanDerWaalsContact CG-OG1 3.27Å; D501-T504 PolarHBondContact O-N 3.27Å; D501-T504 VanDerWaalsContact O-N 3.17Å; D501-T504 VanDerWaalsContact OD1-CB 3.31Å; D501-T504 WeakPolarHBondContact OD1-CB 3.48Å; D501-T504 PolarHBondContact OD1-N 3.09Å; D501-T504 PolarHBondContact OD1-OG1 2.91Å; D501-T504 PolarHBondContact OD2-OG1 3.15Å; T504-S507 WeakPolarHBondContact CA-OG 3.18Å; T504-S507 PolarHBondContact O-N 3.24Å; T504-S507 PolarHBondContact O-OG 2.97Å; T504-L508 WeakPolarHBondContact O-CG 3.39Å; T504-L508 PolarHBondContact O-N 3.18Å
505F92.6Very high90.7Very high0 Ų033.5 Ų33.50%017%0.165CC..Hα-helixtrans-63.3-45.8176.6173.4-105.4000111.6M500 D501 D503 S507 L508 I513 L516 V521 M525 L532 W544M500-F505 HydrophobicContact CG-CB 4.43Å; M500-F505 HydrophobicContact SD-CB 4.06Å; D501-F505 PolarHBondContact O-N 2.87Å; D503-F505 VanDerWaalsContact C-N 3.35Å; F505-S507 PolarHBondContact O-N 3.11Å; F505-L508 HydrophobicContact CD2-CD1 4.4Å; F505-L508 WeakPolarHBondContact O-CG 3.21Å; F505-L508 PolarHBondContact O-N 3.02Å; F505-I513 HydrophobicContact CZ-CG2 4.03Å; F505-I513 VanDerWaalsContact O-CD1 3.28Å; F505-I513 WeakPolarHBondContact O-CD1 3.42Å; F505-L516 HydrophobicContact CE2-CD1 3.97Å; F505-V521 HydrophobicContact CE2-CG1 4.23Å; F505-V521 HydrophobicContact CE2-CG2 3.72Å; F505-V521 HydrophobicContact CZ-CG1 4.38Å; F505-V521 HydrophobicContact CZ-CG2 4.07Å; F505-M525 HydrophobicContact CB-SD 3.95Å; F505-M525 HydrophobicContact CG-SD 4.11Å; F505-L532 HydrophobicContact CD1-CD2 4.12Å; F505-L532 HydrophobicContact CE1-CD2 4.02Å; F505-W544 HydrophobicContact CZ-CB 4.34Å; F505-W544 HydrophobicContact CZ-CD2 4.21Å; F505-W544 HydrophobicContact CZ-CG 4.04Å
506R89.3Confident90.8Very high12 Ų1224.6 Ų24.65%0.04513%0.131CC..Hα-helixtrans-70.6-19.8-178.2-69.5179.2-66.8174-5.8113.5S481 V502 D503 D538 V540 V541S481-R506 WeakPolarHBondContact CB-O 3.33Å; S481-R506 PolarHBondContact OG-O 3.2Å; V502-R506 HydrophobicContact CG2-CG 4.33Å; V502-R506 WeakPolarHBondContact O-CB 3.5Å; V502-R506 WeakPolarHBondContact O-CG 3.17Å; V502-R506 PolarHBondContact O-N 3.17Å; V502-R506 PolarHBondContact O-NE 3.48Å; D503-R506 PolarHBondContact O-N 3.05Å; D503-R506 IonicContact OD1-CZ 3.83Å; D503-R506 IonicContact OD1-NH2 3.16Å; D503-R506 PolarHBondContact OD1-NH2 3.22Å; R506-D538 WeakPolarHBondContact CD-OD1 3.38Å; R506-D538 VanDerWaalsContact CD-OD2 3.24Å; R506-D538 WeakPolarHBondContact CD-OD2 3.17Å; R506-D538 IonicContact CZ-OD2 3.62Å; R506-D538 IonicContact NE-OD2 3.66Å; R506-D538 IonicContact NH1-OD2 2.98Å; R506-D538 PolarHBondContact NH1-OD2 3.37Å; R506-V540 HydrophobicContact CB-CB 4.35Å; R506-V540 HydrophobicContact CB-CG1 4.37Å; R506-V540 HydrophobicContact CG-CB 4.22Å; R506-V540 HydrophobicContact CG-CG1 4.41Å; R506-V541 HydrophobicContact CG-CG2 4.02Å
507S87.2Confident91Very high2 Ų224.7 Ų24.71%0.01414%0.137CC..Hα-helixtrans-91.4-9.8-179.662.70000114.8G466 D503 T504 F505G466-S507 VanDerWaalsContact CA-O 3.28Å; G466-S507 WeakPolarHBondContact CA-O 3.21Å; G466-S507 WeakPolarHBondContact CA-OG 3.47Å; G466-S507 WeakPolarHBondContact O-CB 3.21Å; G466-S507 PolarHBondContact O-OG 3.18Å; D503-S507 WeakPolarHBondContact O-CB 3.25Å; D503-S507 PolarHBondContact O-N 2.94Å; D503-S507 VanDerWaalsContact O-N 3.15Å; D503-S507 PolarHBondContact O-OG 2.93Å; T504-S507 WeakPolarHBondContact CA-OG 3.18Å; T504-S507 PolarHBondContact O-N 3.24Å; T504-S507 PolarHBondContact O-OG 2.97Å; F505-S507 PolarHBondContact O-N 3.11Å
508L90.9Very high91.5Very high1 Ų120.5 Ų20.51%0.00512%0.115CC..SBendtrans-58.9162.8174.3-59.6-177.6000111.1L465 S481 I490 M500 T504 F505 I510 I513 L516L465-L508 HydrophobicContact CB-CD2 3.78Å; S481-L508 CarbonylContact C-O 3.5Å; S481-L508 VanDerWaalsContact C-O 3.31Å; S481-L508 WeakPolarHBondContact CB-O 3.23Å; S481-L508 VanDerWaalsContact O-O 3.11Å; I490-L508 HydrophobicContact CD1-CD1 4.35Å; I490-L508 HydrophobicContact CD1-CD2 3.81Å; I490-L508 HydrophobicContact CG1-CD1 4.45Å; I490-L508 HydrophobicContact CG1-CD2 4.46Å; I490-L508 HydrophobicContact CG2-CD1 3.95Å; M500-L508 HydrophobicContact CE-CD1 4.45Å; M500-L508 HydrophobicContact SD-CD1 4.17Å; T504-L508 WeakPolarHBondContact O-CG 3.39Å; T504-L508 PolarHBondContact O-N 3.18Å; F505-L508 HydrophobicContact CD2-CD1 4.4Å; F505-L508 WeakPolarHBondContact O-CG 3.21Å; F505-L508 PolarHBondContact O-N 3.02Å; L508-I510 PolarHBondContact O-N 2.95Å; L508-I513 HydrophobicContact CB-CD1 4Å; L508-I513 HydrophobicContact CB-CG1 3.77Å; L508-L516 HydrophobicContact CD1-CD1 4.43Å
509D88.3Confident91.7Very high25 Ų2523.7 Ų23.713%0.13414%0.141CC..  trans-59.6132.8175.7-178.2-79000110.8S481 N511 V512 I513S481-D509 CarbonylContact O-C 3.45Å; S481-D509 VanDerWaalsContact O-CA 3.23Å; S481-D509 WeakPolarHBondContact O-CA 3.44Å; D509-N511 PolarHBondContact O-N 3.36Å; D509-N511 WeakPolarHBondContact OD1-CA 3.2Å; D509-N511 WeakPolarHBondContact OD1-CB 3.3Å; D509-N511 PolarHBondContact OD1-N 2.91Å; D509-N511 PolarHBondContact OD1-ND2 3.37Å; D509-V512 HydrophobicContact CB-CB 4.22Å; D509-V512 HydrophobicContact CB-CG2 3.85Å; D509-V512 WeakPolarHBondContact O-CA 3.41Å; D509-V512 VanDerWaalsContact O-CB 3.3Å; D509-V512 WeakPolarHBondContact O-CB 3.29Å; D509-V512 PolarHBondContact O-N 3Å; D509-V512 PolarHBondContact OD1-N 3.28Å; D509-I513 PolarHBondContact O-N 3.45Å
510I86.9Confident92Very high14 Ų1424.5 Ų24.57%0.07215%0.145CC..Hα-helixtrans-59.3-34-175.6-162.954.1000112.9P480 S481 L508 V512 I513 T514 V540P480-I510 HydrophobicContact CB-CB 4.34Å; P480-I510 HydrophobicContact CB-CG1 4.4Å; P480-I510 HydrophobicContact CG-CG2 4.33Å; S481-I510 PolarHBondContact O-N 3.12Å; L508-I510 PolarHBondContact O-N 2.95Å; I510-V512 VanDerWaalsContact C-N 3.3Å; I510-I513 HydrophobicContact CD1-CB 4.38Å; I510-I513 HydrophobicContact CD1-CD1 4.33Å; I510-I513 PolarHBondContact O-N 3.47Å; I510-T514 HydrophobicContact CG1-CG2 4.49Å; I510-T514 VanDerWaalsContact O-CG2 3.29Å; I510-T514 WeakPolarHBondContact O-CG2 3.44Å; I510-T514 PolarHBondContact O-N 3.04Å; I510-T514 PolarHBondContact O-OG1 2.89Å; I510-V540 HydrophobicContact CD1-CG1 4.22Å
511N89Confident92.1Very high98 Ų9824.5 Ų24.552%0.52415%0.145SC..Hα-helixtrans-70.9-31.2177.6-51.1-67.3000111.1D509 T514 N515D509-N511 PolarHBondContact O-N 3.36Å; D509-N511 WeakPolarHBondContact OD1-CA 3.2Å; D509-N511 WeakPolarHBondContact OD1-CB 3.3Å; D509-N511 PolarHBondContact OD1-N 2.91Å; D509-N511 PolarHBondContact OD1-ND2 3.37Å; N511-T514 WeakPolarHBondContact CA-OG1 3.34Å; N511-T514 PolarHBondContact O-OG1 3.38Å; N511-T514 VanDerWaalsContact O-OG1 3.13Å; N511-N515 VanDerWaalsContact O-CG 3.3Å; N511-N515 PolarHBondContact O-ND2 3.11Å
512V92.9Very high92.3Very high10 Ų1027.7 Ų27.76%0.06116%0.159CC..Hα-helixtrans-66.3-51.3170.5176.20000109.6Q487 I490 D509 I510 T514 N515 L516Q487-V512 HydrophobicContact CB-CG1 4.32Å; Q487-V512 HydrophobicContact CB-CG2 4.09Å; Q487-V512 HydrophobicContact CG-CG1 4.49Å; I490-V512 HydrophobicContact CB-CG1 3.94Å; I490-V512 HydrophobicContact CG1-CG1 3.88Å; I490-V512 HydrophobicContact CG2-CG1 4.08Å; D509-V512 HydrophobicContact CB-CB 4.22Å; D509-V512 HydrophobicContact CB-CG2 3.85Å; D509-V512 WeakPolarHBondContact O-CA 3.41Å; D509-V512 VanDerWaalsContact O-CB 3.3Å; D509-V512 WeakPolarHBondContact O-CB 3.29Å; D509-V512 PolarHBondContact O-N 3Å; D509-V512 PolarHBondContact OD1-N 3.28Å; I510-V512 VanDerWaalsContact C-N 3.3Å; V512-T514 VanDerWaalsContact C-N 3.34Å; V512-T514 PolarHBondContact O-N 3.27Å; V512-N515 PolarHBondContact O-N 2.99Å; V512-L516 WeakPolarHBondContact O-CG 3.46Å; V512-L516 PolarHBondContact O-N 3.18Å
513I92.4Very high92.5Very high1 Ų128.7 Ų28.71%0.00517%0.17CC..Hα-helixtrans-55.2-48-179.5-65.4174.9000111.1F505 L508 D509 I510 N515 L516 V540 W544F505-I513 HydrophobicContact CZ-CG2 4.03Å; F505-I513 VanDerWaalsContact O-CD1 3.28Å; F505-I513 WeakPolarHBondContact O-CD1 3.42Å; L508-I513 HydrophobicContact CB-CD1 4Å; L508-I513 HydrophobicContact CB-CG1 3.77Å; D509-I513 PolarHBondContact O-N 3.45Å; I510-I513 HydrophobicContact CD1-CB 4.38Å; I510-I513 HydrophobicContact CD1-CD1 4.33Å; I510-I513 PolarHBondContact O-N 3.47Å; I513-N515 PolarHBondContact O-N 3.49Å; I513-N515 VanDerWaalsContact O-N 3.13Å; I513-L516 WeakPolarHBondContact O-CB 3.4Å; I513-L516 PolarHBondContact O-N 3.29Å; I513-V540 HydrophobicContact CD1-CG1 3.44Å; I513-V540 VanDerWaalsContact CD1-CG1 3.44Å; I513-V540 HydrophobicContact CG2-CG1 4.37Å; I513-W544 HydrophobicContact CG2-CB 3.85Å; I513-W544 HydrophobicContact CG2-CG 4.27Å
514T90.5Very high92.9Very high31 Ų3127.7 Ų27.719%0.1916%0.164CC..Hα-helixtrans-64.5-18.6-177.953.90000113.7I510 N511 V512 R543 L547I510-T514 HydrophobicContact CG1-CG2 4.49Å; I510-T514 VanDerWaalsContact O-CG2 3.29Å; I510-T514 WeakPolarHBondContact O-CG2 3.44Å; I510-T514 PolarHBondContact O-N 3.04Å; I510-T514 PolarHBondContact O-OG1 2.89Å; N511-T514 WeakPolarHBondContact CA-OG1 3.34Å; N511-T514 PolarHBondContact O-OG1 3.38Å; N511-T514 VanDerWaalsContact O-OG1 3.13Å; V512-T514 VanDerWaalsContact C-N 3.34Å; V512-T514 PolarHBondContact O-N 3.27Å; T514-R543 HydrophobicContact CG2-CG 4.42Å; T514-L547 HydrophobicContact CG2-CD1 3.5Å
515N94.3Very high93.1Very high87 Ų8727.1 Ų27.147%0.46516%0.16SC..THydrogen-bonded Turntrans-97.1-2177.6-68.7-15.6000113.4Q487 N511 V512 I513Q487-N515 PolarHBondContact OE1-ND2 2.93Å; N511-N515 VanDerWaalsContact O-CG 3.3Å; N511-N515 PolarHBondContact O-ND2 3.11Å; V512-N515 PolarHBondContact O-N 2.99Å; I513-N515 PolarHBondContact O-N 3.49Å; I513-N515 VanDerWaalsContact O-N 3.13Å
516L96Very high93.1Very high3 Ų328 Ų282%0.01617%0.17CC..  trans-79.7127.4176.5-63.3176.3000110.8I490 F505 L508 V512 I513 N520 V521 L524 W544 Q548I490-L516 HydrophobicContact CG2-CD1 4.11Å; I490-L516 HydrophobicContact CG2-CD2 3.88Å; F505-L516 HydrophobicContact CE2-CD1 3.97Å; L508-L516 HydrophobicContact CD1-CD1 4.43Å; V512-L516 WeakPolarHBondContact O-CG 3.46Å; V512-L516 PolarHBondContact O-N 3.18Å; I513-L516 WeakPolarHBondContact O-CB 3.4Å; I513-L516 PolarHBondContact O-N 3.29Å; L516-N520 HydrophobicContact CB-CB 4.21Å; L516-N520 HydrophobicContact CD2-CB 3.99Å; L516-V521 HydrophobicContact CB-CG2 3.89Å; L516-V521 HydrophobicContact CD1-CG2 4.26Å; L516-L524 HydrophobicContact CD1-CD1 3.83Å; L516-L524 HydrophobicContact CD2-CD1 4.41Å; L516-W544 PolarHBondContact O-NE1 3.05Å; L516-Q548 PolarHBondContact O-NE2 2.8Å
517T96.1Very high93.1Very high69 Ų6930.4 Ų30.442%0.42318%0.181SC..  trans-74.9165.2171.865.70000111.5A519 N520 V521T517-A519 VanDerWaalsContact C-N 3.25Å; T517-A519 PolarHBondContact O-N 3.45Å; T517-N520 PolarHBondContact N-OD1 2.86Å; T517-N520 VanDerWaalsContact N-OD1 3.14Å; T517-N520 WeakPolarHBondContact O-CB 3.49Å; T517-N520 PolarHBondContact O-N 3.13Å; T517-N520 VanDerWaalsContact OG1-CG 3.26Å; T517-N520 PolarHBondContact OG1-N 2.86Å; T517-N520 PolarHBondContact OG1-OD1 3.23Å; T517-V521 PolarHBondContact O-N 3.15Å
518V97Very high93.4Very high9 Ų930.4 Ų30.46%0.05518%0.181CC..Hα-helixtrans-51.7-44.1169.8175.60000112.3N520 V521 Q522 W544 Q548 D552 L553 L556V518-N520 VanDerWaalsContact C-N 3.34Å; V518-N520 PolarHBondContact O-N 3.27Å; V518-V521 PolarHBondContact O-N 2.81Å; V518-Q522 WeakPolarHBondContact O-CB 3.35Å; V518-Q522 PolarHBondContact O-N 3.2Å; V518-W544 HydrophobicContact CG2-CH2 4.4Å; V518-W544 HydrophobicContact CG2-CZ2 4.22Å; V518-Q548 HydrophobicContact CG2-CB 4.06Å; V518-Q548 HydrophobicContact CG2-CG 3.83Å; V518-D552 HydrophobicContact CB-CB 4.26Å; V518-D552 WeakPolarHBondContact CG1-O 3.16Å; V518-D552 HydrophobicContact CG2-CB 3.68Å; V518-L553 HydrophobicContact CG2-CD2 4.29Å; V518-L556 HydrophobicContact CG1-CD1 3.98Å; V518-L556 HydrophobicContact CG1-CD2 3.52Å; V518-L556 HydrophobicContact CG1-CG 3.62Å
519A96.8Very high93.5Very high68 Ų6831.5 Ų31.556%0.56219%0.187SC*.Hα-helixtrans-63.7-37.4177.600000112.7T517 G523T517-A519 VanDerWaalsContact C-N 3.25Å; T517-A519 PolarHBondContact O-N 3.45Å; A519-G523 PolarHBondContact O-N 3.22Å
520N97.1Very high93.8Very high27 Ų2735.9 Ų35.914%0.14420%0.202CC..Hα-helixtrans-64.6-47.8175.2-63.5127.5000111.2S494 L516 T517 V518 Q522 G523 L524S494-N520 WeakPolarHBondContact CB-O 3.02Å; S494-N520 PolarHBondContact OG-ND2 3.31Å; L516-N520 HydrophobicContact CB-CB 4.21Å; L516-N520 HydrophobicContact CD2-CB 3.99Å; T517-N520 PolarHBondContact N-OD1 2.86Å; T517-N520 VanDerWaalsContact N-OD1 3.14Å; T517-N520 WeakPolarHBondContact O-CB 3.49Å; T517-N520 PolarHBondContact O-N 3.13Å; T517-N520 VanDerWaalsContact OG1-CG 3.26Å; T517-N520 PolarHBondContact OG1-N 2.86Å; T517-N520 PolarHBondContact OG1-OD1 3.23Å; V518-N520 VanDerWaalsContact C-N 3.34Å; V518-N520 PolarHBondContact O-N 3.27Å; N520-Q522 VanDerWaalsContact C-N 3.35Å; N520-Q522 PolarHBondContact O-N 3.02Å; N520-G523 PolarHBondContact O-N 3.37Å; N520-L524 WeakPolarHBondContact O-CB 3.48Å; N520-L524 VanDerWaalsContact O-CG 3.27Å; N520-L524 WeakPolarHBondContact O-CG 3.38Å; N520-L524 PolarHBondContact O-N 2.89Å
521V96.8Very high94.1Very high0 Ų035.3 Ų35.30%020%0.199CC..Hα-helixtrans-66.1-39.3-178.8175.30000111.4F505 L516 T517 V518 G523 L524 M525 L532 W544F505-V521 HydrophobicContact CE2-CG1 4.23Å; F505-V521 HydrophobicContact CE2-CG2 3.72Å; F505-V521 HydrophobicContact CZ-CG1 4.38Å; F505-V521 HydrophobicContact CZ-CG2 4.07Å; L516-V521 HydrophobicContact CB-CG2 3.89Å; L516-V521 HydrophobicContact CD1-CG2 4.26Å; T517-V521 PolarHBondContact O-N 3.15Å; V518-V521 PolarHBondContact O-N 2.81Å; V521-G523 VanDerWaalsContact C-N 3.34Å; V521-G523 PolarHBondContact O-N 3.13Å; V521-L524 PolarHBondContact O-N 3.06Å; V521-M525 HydrophobicContact CG1-CG 3.78Å; V521-M525 WeakPolarHBondContact O-CB 3.38Å; V521-M525 WeakPolarHBondContact O-CG 3.5Å; V521-M525 PolarHBondContact O-N 2.53Å; V521-L532 HydrophobicContact CG1-CD1 3.63Å; V521-W544 HydrophobicContact CB-CH2 3.89Å; V521-W544 HydrophobicContact CB-CZ2 3.52Å; V521-W544 HydrophobicContact CG1-CH2 3.84Å; V521-W544 HydrophobicContact CG1-CZ2 3.94Å; V521-W544 HydrophobicContact CG1-CZ3 4.28Å; V521-W544 HydrophobicContact CG2-CD2 4.2Å; V521-W544 HydrophobicContact CG2-CH2 4.13Å; V521-W544 HydrophobicContact CG2-CZ2 3.35Å
522Q96.1Very high94.4Very high89 Ų8930.7 Ų30.742%0.41617%0.174SC..Hα-helixtrans-56.7-47.5172.2-172178.713.900111.8V518 N520 G526 L529 L556V518-Q522 WeakPolarHBondContact O-CB 3.35Å; V518-Q522 PolarHBondContact O-N 3.2Å; N520-Q522 VanDerWaalsContact C-N 3.35Å; N520-Q522 PolarHBondContact O-N 3.02Å; Q522-G526 PolarHBondContact O-N 3.46Å; Q522-G526 VanDerWaalsContact O-N 3.17Å; Q522-L529 HydrophobicContact CG-CD2 4.08Å; Q522-L556 HydrophobicContact CB-CD2 3.94Å; Q522-L556 HydrophobicContact CG-CD2 4.17Å
523G95.3Very high94.5Very high23 Ų2333.5 Ų33.524%0.23719%0.186CC..Hα-helixtrans-70-32.1179.300000114.6S494 A519 N520 V521S494-G523 CarbonylContact O-C 3.31Å; S494-G523 VanDerWaalsContact O-CA 3.29Å; S494-G523 WeakPolarHBondContact O-CA 3.29Å; A519-G523 PolarHBondContact O-N 3.22Å; N520-G523 PolarHBondContact O-N 3.37Å; V521-G523 VanDerWaalsContact C-N 3.34Å; V521-G523 PolarHBondContact O-N 3.13Å
524L95.8Very high94.6Very high0 Ų036.4 Ų36.40%020%0.2CC..Hα-helixtrans-72.1-53.9175.8-73.9168000111.7I490 L493 I498 M500 L516 N520 V521I490-L524 HydrophobicContact CG2-CD1 3.72Å; I490-L524 HydrophobicContact CG2-CD2 4.28Å; L493-L524 HydrophobicContact CB-CD2 3.83Å; I498-L524 HydrophobicContact CD1-CD2 4.15Å; M500-L524 HydrophobicContact CB-CB 4.41Å; M500-L524 WeakPolarHBondContact CB-O 3.38Å; M500-L524 HydrophobicContact CE-CD2 3.86Å; M500-L524 PolarHBondContact N-O 2.89Å; M500-L524 HydrophobicContact SD-CB 4.31Å; L516-L524 HydrophobicContact CD1-CD1 3.83Å; L516-L524 HydrophobicContact CD2-CD1 4.41Å; N520-L524 WeakPolarHBondContact O-CB 3.48Å; N520-L524 VanDerWaalsContact O-CG 3.27Å; N520-L524 WeakPolarHBondContact O-CG 3.38Å; N520-L524 PolarHBondContact O-N 2.89Å; V521-L524 PolarHBondContact O-N 3.06Å
525M94.1Very high94.8Very high0 Ų035 Ų350%019%0.192CC..Hα-helixtrans-71.3-33.8-171.7-62.3-90.4-53.900111.9S499 V502 F505 V521 E527 N528 L529 D531 L532S499-M525 WeakPolarHBondContact CA-O 3.33Å; V502-M525 HydrophobicContact CB-CE 4.4Å; F505-M525 HydrophobicContact CB-SD 3.95Å; F505-M525 HydrophobicContact CG-SD 4.11Å; V521-M525 HydrophobicContact CG1-CG 3.78Å; V521-M525 WeakPolarHBondContact O-CB 3.38Å; V521-M525 WeakPolarHBondContact O-CG 3.5Å; V521-M525 PolarHBondContact O-N 2.53Å; M525-E527 PolarHBondContact O-N 3.15Å; M525-N528 HydrophobicContact CE-CB 4.38Å; M525-N528 WeakPolarHBondContact CE-O 3.19Å; M525-N528 WeakPolarHBondContact O-CB 3.31Å; M525-N528 PolarHBondContact O-N 2.68Å; M525-L529 HydrophobicContact CB-CB 4.17Å; M525-L529 HydrophobicContact CB-CD1 4.16Å; M525-L529 HydrophobicContact CG-CD1 4.46Å; M525-D531 HydrophobicContact CE-CB 4.34Å; M525-L532 HydrophobicContact CE-CD1 4.42Å; M525-L532 HydrophobicContact CE-CD2 3.79Å; M525-L532 HydrophobicContact CE-CG 3.6Å; M525-L532 HydrophobicContact SD-CD2 3.99Å; M525-L532 HydrophobicContact SD-CG 4.28Å
526G92.4Very high94.7Very high19 Ų1934.1 Ų34.120%0.19619%0.185CC..G310 helixtrans53.5-121179.200000111.9Q522 N528 L529Q522-G526 PolarHBondContact O-N 3.46Å; Q522-G526 VanDerWaalsContact O-N 3.17Å; G526-N528 PolarHBondContact O-N 2.78Å; G526-L529 WeakPolarHBondContact O-CB 3.3Å; G526-L529 PolarHBondContact O-N 2.91Å; G526-L529 VanDerWaalsContact O-N 3.12Å
527E89.5Confident94.4Very high62 Ų6239.5 Ų39.529%0.2921%0.214SC..G310 helixtrans-66.2-21.4179.9-59.1-50.8125.900114C26 K30 S499 M525 L529C26-E527 VanDerWaalsContact SG-CB 3.58Å; K30-E527 HydrophobicContact CB-CG 3.89Å; K30-E527 HydrophobicContact CD-CG 3.72Å; K30-E527 WeakPolarHBondContact CD-OE1 3.48Å; K30-E527 WeakPolarHBondContact CE-OE1 3.4Å; K30-E527 HydrophobicContact CG-CG 3.81Å; K30-E527 IonicContact NZ-OE1 2.75Å; K30-E527 PolarHBondContact NZ-OE1 3.16Å; S499-E527 PolarHBondContact OG-N 3.34Å; M525-E527 PolarHBondContact O-N 3.15Å; E527-L529 PolarHBondContact O-N 2.94Å
528N92.6Very high94.2Very high3 Ų337 Ų372%0.01620%0.198CC..G310 helixtrans-842.1177.4-57.9-39.3000112.2C26 S499 M500 D501 M525 G526 R530 D531C26-N528 PolarHBondContact SG-OD1 3.02Å; S499-N528 PolarHBondContact O-ND2 2.99Å; S499-N528 VanDerWaalsContact O-ND2 3.13Å; M500-N528 VanDerWaalsContact C-ND2 3.33Å; M500-N528 WeakPolarHBondContact O-CB 3.4Å; M500-N528 PolarHBondContact O-ND2 3.36Å; D501-N528 PolarHBondContact N-ND2 3.22Å; M525-N528 HydrophobicContact CE-CB 4.38Å; M525-N528 WeakPolarHBondContact CE-O 3.19Å; M525-N528 WeakPolarHBondContact O-CB 3.31Å; M525-N528 PolarHBondContact O-N 2.68Å; G526-N528 PolarHBondContact O-N 2.78Å; N528-R530 PolarHBondContact O-N 3.2Å; N528-D531 WeakPolarHBondContact O-CB 3.46Å; N528-D531 PolarHBondContact O-N 2.98Å
529L94.1Very high93.8Very high23 Ų2341.7 Ų41.712%0.1223%0.227CC..THydrogen-bonded Turntrans-51-36.3-173.9179.861.4000113.7Q522 M525 G526 E527 D531 L532 L556 L558Q522-L529 HydrophobicContact CG-CD2 4.08Å; M525-L529 HydrophobicContact CB-CB 4.17Å; M525-L529 HydrophobicContact CB-CD1 4.16Å; M525-L529 HydrophobicContact CG-CD1 4.46Å; G526-L529 WeakPolarHBondContact O-CB 3.3Å; G526-L529 PolarHBondContact O-N 2.91Å; G526-L529 VanDerWaalsContact O-N 3.12Å; E527-L529 PolarHBondContact O-N 2.94Å; L529-D531 PolarHBondContact O-N 3.01Å; L529-L532 HydrophobicContact CD1-CD1 3.76Å; L529-L532 WeakPolarHBondContact O-CB 3.42Å; L529-L532 WeakPolarHBondContact O-CG 3.33Å; L529-L532 PolarHBondContact O-N 3.24Å; L529-L556 HydrophobicContact CD1-CD2 4.24Å; L529-L556 HydrophobicContact CD2-CD2 4.2Å; L529-L558 HydrophobicContact CD1-CD1 4.3Å; L529-L558 HydrophobicContact CG-CD1 4.1Å; L529-L558 WeakPolarHBondContact O-CD1 3.28Å
530R93.7Very high93.5Very high118 Ų11839 Ų3945%0.44520%0.203SC..THydrogen-bonded Turntrans-65.1-20.7178-71.8-174.2167.7175.1-6.3114N528 L532 K533 L534 L558N528-R530 PolarHBondContact O-N 3.2Å; R530-L532 PolarHBondContact O-N 3.06Å; R530-K533 WeakPolarHBondContact O-CB 3.49Å; R530-K533 PolarHBondContact O-N 3.04Å; R530-L534 PolarHBondContact O-N 3.33Å; R530-L558 HydrophobicContact CB-CD2 4.4Å; R530-L558 HydrophobicContact CG-CD2 3.78Å
531D94.5Very high93.3Very high2 Ų237.7 Ų37.71%0.01120%0.196CC..Hα-helixtrans-65.1-23.6177.4-65-2.1000110.8T61 N65 V502 M525 N528 L529 K533 L534 F535T61-D531 WeakPolarHBondContact CB-OD1 3.13Å; T61-D531 WeakPolarHBondContact CB-OD2 3.24Å; T61-D531 PolarHBondContact OG1-OD2 3.48Å; N65-D531 PolarHBondContact ND2-OD1 3.06Å; V502-D531 HydrophobicContact CB-CB 3.93Å; V502-D531 HydrophobicContact CG1-CB 4.08Å; V502-D531 HydrophobicContact CG2-CB 4.45Å; M525-D531 HydrophobicContact CE-CB 4.34Å; N528-D531 WeakPolarHBondContact O-CB 3.46Å; N528-D531 PolarHBondContact O-N 2.98Å; L529-D531 PolarHBondContact O-N 3.01Å; D531-K533 PolarHBondContact O-N 3.36Å; D531-L534 PolarHBondContact O-N 2.92Å; D531-L534 VanDerWaalsContact O-N 3.15Å; D531-F535 HydrophobicContact CB-CD2 4.28Å; D531-F535 WeakPolarHBondContact O-CB 3.2Å; D531-F535 VanDerWaalsContact O-CD2 3.26Å; D531-F535 WeakPolarHBondContact O-CD2 3.31Å; D531-F535 PolarHBondContact O-N 3.29Å
532L95.5Very high93.1Very high0 Ų041.4 Ų41.40%021%0.213CC..Hα-helixtrans-57-37.1170-65176.4000112.5F505 V521 M525 L529 R530 F535 E536 V541 W544 L558 L560F505-L532 HydrophobicContact CD1-CD2 4.12Å; F505-L532 HydrophobicContact CE1-CD2 4.02Å; V521-L532 HydrophobicContact CG1-CD1 3.63Å; M525-L532 HydrophobicContact CE-CD1 4.42Å; M525-L532 HydrophobicContact CE-CD2 3.79Å; M525-L532 HydrophobicContact CE-CG 3.6Å; M525-L532 HydrophobicContact SD-CD2 3.99Å; M525-L532 HydrophobicContact SD-CG 4.28Å; L529-L532 HydrophobicContact CD1-CD1 3.76Å; L529-L532 WeakPolarHBondContact O-CB 3.42Å; L529-L532 WeakPolarHBondContact O-CG 3.33Å; L529-L532 PolarHBondContact O-N 3.24Å; R530-L532 PolarHBondContact O-N 3.06Å; L532-F535 CarbonylContact O-C 3.47Å; L532-E536 WeakPolarHBondContact O-CA 3.39Å; L532-E536 PolarHBondContact O-N 2.9Å; L532-E536 VanDerWaalsContact O-N 3.11Å; L532-V541 HydrophobicContact CD2-CG1 4.32Å; L532-V541 HydrophobicContact CD2-CG2 4.5Å; L532-W544 HydrophobicContact CD1-CH2 4.36Å; L532-W544 HydrophobicContact CD1-CZ3 3.93Å; L532-L558 HydrophobicContact CB-CD1 4.15Å; L532-L558 HydrophobicContact CD1-CD1 4.38Å; L532-L560 HydrophobicContact CB-CD1 4.12Å
533K95Very high93Very high70 Ų7042.8 Ų42.830%0.30422%0.215SC..Hα-helixtrans-74.2-41.7176.6-176.660.4177.4-178.40111.3R530 D531 F535 E536 L558 G559 L560R530-K533 WeakPolarHBondContact O-CB 3.49Å; R530-K533 PolarHBondContact O-N 3.04Å; D531-K533 PolarHBondContact O-N 3.36Å; K533-F535 PolarHBondContact O-N 3.28Å; K533-E536 WeakPolarHBondContact CD-OE2 3.36Å; K533-E536 WeakPolarHBondContact CE-OE2 3.44Å; K533-E536 IonicContact NZ-OE1 3.83Å; K533-E536 PolarHBondContact NZ-OE1 2.94Å; K533-E536 IonicContact NZ-OE2 3.76Å; K533-E536 PolarHBondContact NZ-OE2 3.36Å; K533-E536 WeakPolarHBondContact O-CB 3.48Å; K533-E536 WeakPolarHBondContact O-CG 3.4Å; K533-E536 PolarHBondContact O-N 2.95Å; K533-L558 WeakPolarHBondContact CD-O 3.34Å; K533-G559 PolarHBondContact NZ-O 3Å; K533-L560 HydrophobicContact CD-CD2 4.05Å
534L94.1Very high93Very high61 Ų6141.7 Ų41.732%0.31920%0.203SC..Hα-helixtrans-59.1-35.5176.6179.360.4000111.8T61 Y85 L115 R530 D531T61-L534 HydrophobicContact CG2-CD2 3.71Å; Y85-L534 HydrophobicContact CD1-CD2 3.9Å; Y85-L534 HydrophobicContact CE1-CD2 4.2Å; L115-L534 HydrophobicContact CD1-CD1 4.35Å; L115-L534 HydrophobicContact CD1-CD2 4.04Å; L115-L534 HydrophobicContact CD1-CG 4.12Å; L115-L534 HydrophobicContact CD2-CD1 4.11Å; L115-L534 HydrophobicContact CD2-CG 3.89Å; L115-L534 WeakPolarHBondContact CD2-O 3.34Å; R530-L534 PolarHBondContact O-N 3.33Å; D531-L534 PolarHBondContact O-N 2.92Å; D531-L534 VanDerWaalsContact O-N 3.15Å
535F93.5Very high93Very high2 Ų242 Ų421%0.00921%0.206CC..THydrogen-bonded Turntrans-103.424.9179.6-69.3-92.1000113.1S112 I114 L115 V502 D531 L532 K533 N537 D538 V541S112-F535 WeakPolarHBondContact OG-CE1 3.47Å; I114-F535 HydrophobicContact CG2-CD1 3.76Å; I114-F535 HydrophobicContact CG2-CE1 3.56Å; L115-F535 HydrophobicContact CD1-CE1 4.05Å; L115-F535 HydrophobicContact CD1-CE2 4.11Å; L115-F535 HydrophobicContact CD1-CZ 3.63Å; L115-F535 HydrophobicContact CD2-CD1 3.71Å; L115-F535 HydrophobicContact CD2-CD2 4.28Å; L115-F535 HydrophobicContact CD2-CE1 3.62Å; L115-F535 HydrophobicContact CD2-CE2 4.19Å; L115-F535 HydrophobicContact CD2-CG 4.08Å; L115-F535 HydrophobicContact CD2-CZ 3.89Å; L115-F535 HydrophobicContact CG-CD1 4.29Å; L115-F535 HydrophobicContact CG-CE1 3.69Å; L115-F535 HydrophobicContact CG-CE2 4.49Å; L115-F535 HydrophobicContact CG-CZ 3.83Å; V502-F535 HydrophobicContact CB-CD2 4.33Å; V502-F535 HydrophobicContact CG1-CD2 3.63Å; V502-F535 HydrophobicContact CG1-CE2 3.47Å; V502-F535 VanDerWaalsContact CG1-CE2 3.47Å; V502-F535 HydrophobicContact CG1-CG 4.25Å; V502-F535 HydrophobicContact CG1-CZ 3.94Å; V502-F535 HydrophobicContact CG2-CB 4.12Å; V502-F535 HydrophobicContact CG2-CD2 4.01Å; V502-F535 HydrophobicContact CG2-CG 4.11Å; D531-F535 HydrophobicContact CB-CD2 4.28Å; D531-F535 WeakPolarHBondContact O-CB 3.2Å; D531-F535 VanDerWaalsContact O-CD2 3.26Å; D531-F535 WeakPolarHBondContact O-CD2 3.31Å; D531-F535 PolarHBondContact O-N 3.29Å; L532-F535 CarbonylContact O-C 3.47Å; K533-F535 PolarHBondContact O-N 3.28Å; F535-N537 PolarHBondContact O-N 3.01Å; F535-D538 HydrophobicContact CB-CB 4.32Å; F535-D538 WeakPolarHBondContact O-CB 3.44Å; F535-D538 PolarHBondContact O-N 3.08Å; F535-V541 HydrophobicContact CB-CG2 4.31Å
536E93.4Very high93Very high69 Ų6944.4 Ų44.432%0.32222%0.219SC..THydrogen-bonded Turntrans-63-16.6-176.569.4-177.7149.100114.8L532 K533 Q542 L560L532-E536 WeakPolarHBondContact O-CA 3.39Å; L532-E536 PolarHBondContact O-N 2.9Å; L532-E536 VanDerWaalsContact O-N 3.11Å; K533-E536 WeakPolarHBondContact CD-OE2 3.36Å; K533-E536 WeakPolarHBondContact CE-OE2 3.44Å; K533-E536 IonicContact NZ-OE1 3.83Å; K533-E536 PolarHBondContact NZ-OE1 2.94Å; K533-E536 IonicContact NZ-OE2 3.76Å; K533-E536 PolarHBondContact NZ-OE2 3.36Å; K533-E536 WeakPolarHBondContact O-CB 3.48Å; K533-E536 WeakPolarHBondContact O-CG 3.4Å; K533-E536 PolarHBondContact O-N 2.95Å; E536-Q542 WeakPolarHBondContact O-CG 3.36Å; E536-Q542 PolarHBondContact O-NE2 2.65Å; E536-L560 HydrophobicContact CB-CD2 4.13Å
537N90.1Very high93.1Very high116 Ų11647 Ų4762%0.6223%0.227SC*.THydrogen-bonded Turntrans-91.90.5176.1-66.5-53.9000113F535F535-N537 PolarHBondContact O-N 3.01Å
538D90.3Very high93.4Very high16 Ų1644.9 Ų44.99%0.08622%0.217CC..SBendtrans-73.8135.8173.5-176.1-81.8000111.3I114 R506 F535 V540 V541 Q542I114-D538 HydrophobicContact CD1-CB 3.5Å; I114-D538 VanDerWaalsContact CD1-CB 3.5Å; I114-D538 WeakPolarHBondContact CD1-OD2 3.49Å; R506-D538 WeakPolarHBondContact CD-OD1 3.38Å; R506-D538 VanDerWaalsContact CD-OD2 3.24Å; R506-D538 WeakPolarHBondContact CD-OD2 3.17Å; R506-D538 IonicContact CZ-OD2 3.62Å; R506-D538 IonicContact NE-OD2 3.66Å; R506-D538 IonicContact NH1-OD2 2.98Å; R506-D538 PolarHBondContact NH1-OD2 3.37Å; F535-D538 HydrophobicContact CB-CB 4.32Å; F535-D538 WeakPolarHBondContact O-CB 3.44Å; F535-D538 PolarHBondContact O-N 3.08Å; D538-V540 VanDerWaalsContact C-N 3.29Å; D538-V540 PolarHBondContact O-N 3.35Å; D538-V540 WeakPolarHBondContact OD1-CA 3.31Å; D538-V540 VanDerWaalsContact OD1-CB 3.29Å; D538-V540 WeakPolarHBondContact OD1-CB 3.41Å; D538-V540 PolarHBondContact OD1-N 3.2Å; D538-V541 HydrophobicContact CB-CB 4.06Å; D538-V541 HydrophobicContact CB-CG2 3.9Å; D538-V541 PolarHBondContact O-N 3.46Å; D538-V541 PolarHBondContact OD1-N 3.3Å; D538-Q542 WeakPolarHBondContact O-CB 3.49Å; D538-Q542 VanDerWaalsContact O-CG 3.25Å; D538-Q542 WeakPolarHBondContact O-CG 3.49Å; D538-Q542 PolarHBondContact O-N 2.81Å
539T89.6Confident93.5Very high108 Ų10847 Ų4766%0.66323%0.228SC*.Hα-helixtrans-64.6-33.3-174.1540000112.7R543T539-R543 VanDerWaalsContact O-CB 3.22Å; T539-R543 WeakPolarHBondContact O-CB 3.29Å; T539-R543 PolarHBondContact O-N 3.21Å
540V90.3Very high93.6Very high11 Ų1147.5 Ų47.57%0.06723%0.23CC..Hα-helixtrans-73.9-45.1178.6-177.40000109.8S481 R506 I510 I513 D538 R543 W544S481-V540 WeakPolarHBondContact OG-CG2 3.39Å; R506-V540 HydrophobicContact CB-CB 4.35Å; R506-V540 HydrophobicContact CB-CG1 4.37Å; R506-V540 HydrophobicContact CG-CB 4.22Å; R506-V540 HydrophobicContact CG-CG1 4.41Å; I510-V540 HydrophobicContact CD1-CG1 4.22Å; I513-V540 HydrophobicContact CD1-CG1 3.44Å; I513-V540 VanDerWaalsContact CD1-CG1 3.44Å; I513-V540 HydrophobicContact CG2-CG1 4.37Å; D538-V540 VanDerWaalsContact C-N 3.29Å; D538-V540 PolarHBondContact O-N 3.35Å; D538-V540 WeakPolarHBondContact OD1-CA 3.31Å; D538-V540 VanDerWaalsContact OD1-CB 3.29Å; D538-V540 WeakPolarHBondContact OD1-CB 3.41Å; D538-V540 PolarHBondContact OD1-N 3.2Å; V540-R543 PolarHBondContact O-N 3.23Å; V540-W544 PolarHBondContact O-N 3.2Å
541V92.9Very high93.7Very high0 Ų045.4 Ų45.40%023%0.234CC..Hα-helixtrans-60.9-49.1175.3178.50000110.3R506 L532 F535 D538 R543 W544 V545R506-V541 HydrophobicContact CG-CG2 4.02Å; L532-V541 HydrophobicContact CD2-CG1 4.32Å; L532-V541 HydrophobicContact CD2-CG2 4.5Å; F535-V541 HydrophobicContact CB-CG2 4.31Å; D538-V541 HydrophobicContact CB-CB 4.06Å; D538-V541 HydrophobicContact CB-CG2 3.9Å; D538-V541 PolarHBondContact O-N 3.46Å; D538-V541 PolarHBondContact OD1-N 3.3Å; V541-R543 VanDerWaalsContact C-N 3.33Å; V541-R543 PolarHBondContact O-N 2.96Å; V541-W544 PolarHBondContact O-N 3.07Å; V541-V545 HydrophobicContact CG1-CG2 4.24Å; V541-V545 WeakPolarHBondContact O-CB 3.34Å; V541-V545 VanDerWaalsContact O-CG2 3.3Å; V541-V545 WeakPolarHBondContact O-CG2 3.3Å; V541-V545 PolarHBondContact O-N 2.73Å
542Q92.9Very high93.7Very high77 Ų7748.5 Ų48.536%0.3625%0.25SS..Hα-helixtrans-58.2-43.9176.9-75.5-176.7-19.100112.1E536 D538 W544 V545 N546E536-Q542 WeakPolarHBondContact O-CG 3.36Å; E536-Q542 PolarHBondContact O-NE2 2.65Å; D538-Q542 WeakPolarHBondContact O-CB 3.49Å; D538-Q542 VanDerWaalsContact O-CG 3.25Å; D538-Q542 WeakPolarHBondContact O-CG 3.49Å; D538-Q542 PolarHBondContact O-N 2.81Å; Q542-W544 VanDerWaalsContact C-N 3.33Å; Q542-W544 PolarHBondContact O-N 3.28Å; Q542-V545 PolarHBondContact O-N 2.75Å; Q542-N546 WeakPolarHBondContact O-CB 2.73Å; Q542-N546 PolarHBondContact O-N 3.07Å; Q542-N546 PolarHBondContact O-ND2 3.33Å
543R92.5Very high93.8Very high118 Ų11848.6 Ų48.645%0.44525%0.251SS..Hα-helixtrans-61.4-43.3178.6-178.2166.8175.5-178.7-0.6111.6T514 T539 V540 V541 L547T514-R543 HydrophobicContact CG2-CG 4.42Å; T539-R543 VanDerWaalsContact O-CB 3.22Å; T539-R543 WeakPolarHBondContact O-CB 3.29Å; T539-R543 PolarHBondContact O-N 3.21Å; V540-R543 PolarHBondContact O-N 3.23Å; V541-R543 VanDerWaalsContact C-N 3.33Å; V541-R543 PolarHBondContact O-N 2.96Å; R543-L547 WeakPolarHBondContact O-CG 3.32Å; R543-L547 PolarHBondContact O-N 3.25Å
544W95.4Very high93.8Very high0 Ų049.7 Ų49.70%026%0.26CS..Hα-helixtrans-65-47.8175.5174.474.4000112.1F505 I513 L516 V518 V521 L532 V540 V541 Q542 N546 L547 Q548 L553 L556F505-W544 HydrophobicContact CZ-CB 4.34Å; F505-W544 HydrophobicContact CZ-CD2 4.21Å; F505-W544 HydrophobicContact CZ-CG 4.04Å; I513-W544 HydrophobicContact CG2-CB 3.85Å; I513-W544 HydrophobicContact CG2-CG 4.27Å; L516-W544 PolarHBondContact O-NE1 3.05Å; V518-W544 HydrophobicContact CG2-CH2 4.4Å; V518-W544 HydrophobicContact CG2-CZ2 4.22Å; V521-W544 HydrophobicContact CB-CH2 3.89Å; V521-W544 HydrophobicContact CB-CZ2 3.52Å; V521-W544 HydrophobicContact CG1-CH2 3.84Å; V521-W544 HydrophobicContact CG1-CZ2 3.94Å; V521-W544 HydrophobicContact CG1-CZ3 4.28Å; V521-W544 HydrophobicContact CG2-CD2 4.2Å; V521-W544 HydrophobicContact CG2-CH2 4.13Å; V521-W544 HydrophobicContact CG2-CZ2 3.35Å; L532-W544 HydrophobicContact CD1-CH2 4.36Å; L532-W544 HydrophobicContact CD1-CZ3 3.93Å; V540-W544 PolarHBondContact O-N 3.2Å; V541-W544 PolarHBondContact O-N 3.07Å; Q542-W544 VanDerWaalsContact C-N 3.33Å; Q542-W544 PolarHBondContact O-N 3.28Å; W544-N546 VanDerWaalsContact C-N 3.32Å; W544-N546 PolarHBondContact O-N 2.96Å; W544-L547 PolarHBondContact O-N 3.16Å; W544-L547 VanDerWaalsContact O-N 3.09Å; W544-Q548 HydrophobicContact CD2-CG 4.49Å; W544-Q548 HydrophobicContact CH2-CG 4.44Å; W544-Q548 HydrophobicContact CZ2-CG 3.99Å; W544-Q548 WeakPolarHBondContact O-CG 3.36Å; W544-Q548 PolarHBondContact O-NE2 3.45Å; W544-L553 HydrophobicContact CH2-CD2 4.17Å; W544-L553 HydrophobicContact CZ3-CD2 4.2Å; W544-L556 HydrophobicContact CH2-CD1 4.12Å
545V96.1Very high93.9Very high8 Ų851.3 Ų51.35%0.04827%0.272CS..Hα-helixtrans-56.8-46.2178.6168.60000111V541 Q542 L547 Q548 L553 L560 I561 T562V541-V545 HydrophobicContact CG1-CG2 4.24Å; V541-V545 WeakPolarHBondContact O-CB 3.34Å; V541-V545 VanDerWaalsContact O-CG2 3.3Å; V541-V545 WeakPolarHBondContact O-CG2 3.3Å; V541-V545 PolarHBondContact O-N 2.73Å; Q542-V545 PolarHBondContact O-N 2.75Å; V545-L547 PolarHBondContact O-N 2.94Å; V545-L547 VanDerWaalsContact O-N 3.11Å; V545-Q548 PolarHBondContact O-N 3.17Å; V545-L553 HydrophobicContact CG1-CD1 3.79Å; V545-L560 HydrophobicContact CG1-CB 4.42Å; V545-L560 HydrophobicContact CG2-CD1 4.1Å; V545-L560 HydrophobicContact CG2-CD2 4.44Å; V545-I561 WeakPolarHBondContact CG1-O 3.47Å; V545-T562 PolarHBondContact O-OG1 3.22Å
546N95.1Very high94Very high50 Ų5052 Ų5227%0.26728%0.276SS..THydrogen-bonded Turntrans-69.3-5.8-178.9-73-36.7000114.3Q542 W544 T562 T563 R564Q542-N546 WeakPolarHBondContact O-CB 2.73Å; Q542-N546 PolarHBondContact O-N 3.07Å; Q542-N546 PolarHBondContact O-ND2 3.33Å; W544-N546 VanDerWaalsContact C-N 3.32Å; W544-N546 PolarHBondContact O-N 2.96Å; N546-T562 WeakPolarHBondContact CA-OG1 3.39Å; N546-T563 PolarHBondContact OD1-N 2.87Å; N546-T563 PolarHBondContact OD1-OG1 3.25Å; N546-R564 WeakPolarHBondContact O-CB 3.37Å
547L94.1Very high94.1Very high72 Ų7252 Ų5238%0.37729%0.294SS..THydrogen-bonded Turntrans-96.9-11.3171.5-70.2171.6000112.8T514 R543 W544 V545 R564T514-L547 HydrophobicContact CG2-CD1 3.5Å; R543-L547 WeakPolarHBondContact O-CG 3.32Å; R543-L547 PolarHBondContact O-N 3.25Å; W544-L547 PolarHBondContact O-N 3.16Å; W544-L547 VanDerWaalsContact O-N 3.09Å; V545-L547 PolarHBondContact O-N 2.94Å; V545-L547 VanDerWaalsContact O-N 3.11Å; L547-R564 PolarHBondContact O-NH1 2.88Å
548Q95.4Very high94.3Very high18 Ų1847.6 Ų47.68%0.08427%0.271CS..SBendtrans-91.2156.5179.8-49.5-49.8-54.900111.4L516 V518 W544 V545 L553 T562L516-Q548 PolarHBondContact O-NE2 2.8Å; V518-Q548 HydrophobicContact CG2-CB 4.06Å; V518-Q548 HydrophobicContact CG2-CG 3.83Å; W544-Q548 HydrophobicContact CD2-CG 4.49Å; W544-Q548 HydrophobicContact CH2-CG 4.44Å; W544-Q548 HydrophobicContact CZ2-CG 3.99Å; W544-Q548 WeakPolarHBondContact O-CG 3.36Å; W544-Q548 PolarHBondContact O-NE2 3.45Å; V545-Q548 PolarHBondContact O-N 3.17Å; Q548-L553 HydrophobicContact CB-CD1 4.14Å; Q548-L553 HydrophobicContact CB-CD2 3.86Å; Q548-L553 HydrophobicContact CB-CG 3.75Å; Q548-L553 HydrophobicContact CG-CD2 4Å; Q548-L553 HydrophobicContact CG-CG 4.45Å; Q548-T562 PolarHBondContact O-OG1 2.94Å
549L95Very high94.5Very high47 Ų4748.8 Ų48.825%0.24629%0.287CS..  trans-72.9148.5167-63.7173.8000109.6S551 D552 L553L549-S551 VanDerWaalsContact C-N 3.3Å; L549-S551 PolarHBondContact O-N 3.47Å; L549-D552 HydrophobicContact CB-CB 4.44Å; L549-D552 PolarHBondContact O-N 3.46Å; L549-L553 PolarHBondContact O-N 3.46Å; L549-L553 VanDerWaalsContact O-N 3.1Å
550Q96.1Very high94.8Very high34 Ų3443.9 Ų43.916%0.15926%0.257CS..Hα-helixtrans-62.4-40.7178.5-171.359.956.200111.2D552 L553 D554 L560 T562Q550-D552 PolarHBondContact O-N 3.12Å; Q550-L553 PolarHBondContact O-N 2.64Å; Q550-L553 VanDerWaalsContact O-N 3.13Å; Q550-D554 PolarHBondContact NE2-OD1 3.34Å; Q550-D554 PolarHBondContact O-N 2.78Å; Q550-L560 PolarHBondContact NE2-O 2.76Å; Q550-T562 HydrophobicContact CB-CG2 3.91Å
551S95.4Very high95Very high74 Ų7449.1 Ų49.152%0.51728%0.283SS..Hα-helixtrans-58.1-35.1177.360.40000113.1L549 T555L549-S551 VanDerWaalsContact C-N 3.3Å; L549-S551 PolarHBondContact O-N 3.47Å; S551-T555 WeakPolarHBondContact O-CG2 3.15Å
552D95.6Very high95Very high67 Ų6749.9 Ų49.936%0.35829%0.288SS..Hα-helixtrans-74.1-44.4177.7-63.5-25.1000110.1V518 L549 Q550 D554 T555V518-D552 HydrophobicContact CB-CB 4.26Å; V518-D552 WeakPolarHBondContact CG1-O 3.16Å; V518-D552 HydrophobicContact CG2-CB 3.68Å; L549-D552 HydrophobicContact CB-CB 4.44Å; L549-D552 PolarHBondContact O-N 3.46Å; Q550-D552 PolarHBondContact O-N 3.12Å; D552-D554 VanDerWaalsContact C-N 3.27Å; D552-D554 PolarHBondContact O-N 2.62Å; D552-T555 WeakPolarHBondContact O-CB 3.21Å; D552-T555 WeakPolarHBondContact O-CG2 3.38Å; D552-T555 PolarHBondContact O-N 3.23Å; D552-T555 VanDerWaalsContact O-N 3.13Å; D552-T555 PolarHBondContact O-OG1 3.21Å
553L96.7Very high94.9Very high2 Ų252 Ų521%0.0131%0.306CS..Hα-helixtrans-60.6-37.2177.4-70.5171000112.6V518 W544 V545 Q548 L549 Q550 T555 L556 T562V518-L553 HydrophobicContact CG2-CD2 4.29Å; W544-L553 HydrophobicContact CH2-CD2 4.17Å; W544-L553 HydrophobicContact CZ3-CD2 4.2Å; V545-L553 HydrophobicContact CG1-CD1 3.79Å; Q548-L553 HydrophobicContact CB-CD1 4.14Å; Q548-L553 HydrophobicContact CB-CD2 3.86Å; Q548-L553 HydrophobicContact CB-CG 3.75Å; Q548-L553 HydrophobicContact CG-CD2 4Å; Q548-L553 HydrophobicContact CG-CG 4.45Å; L549-L553 PolarHBondContact O-N 3.46Å; L549-L553 VanDerWaalsContact O-N 3.1Å; Q550-L553 PolarHBondContact O-N 2.64Å; Q550-L553 VanDerWaalsContact O-N 3.13Å; L553-T555 PolarHBondContact O-N 2.83Å; L553-L556 HydrophobicContact CD2-CD1 4.45Å; L553-L556 VanDerWaalsContact O-CB 3.29Å; L553-L556 WeakPolarHBondContact O-CB 3.32Å; L553-L556 PolarHBondContact O-N 2.63Å; L553-T562 HydrophobicContact CD1-CG2 4.19Å
554D96.3Very high94.6Very high94 Ų9451.9 Ų51.950%0.50331%0.306SS..Hα-helixtrans-61.7-27.3178.9-69.2-18.5000112.1Q550 D552 L556 G557Q550-D554 PolarHBondContact NE2-OD1 3.34Å; Q550-D554 PolarHBondContact O-N 2.78Å; D552-D554 VanDerWaalsContact C-N 3.27Å; D552-D554 PolarHBondContact O-N 2.62Å; D554-L556 PolarHBondContact O-N 3.46Å; D554-L556 VanDerWaalsContact O-N 3.16Å; D554-G557 PolarHBondContact O-N 3.46Å
555T96.2Very high93.6Very high94 Ų9456 Ų5658%0.57734%0.34SS*.THydrogen-bonded Turntrans-62-21.6174.572.60000113.3S551 D552 L553 G557S551-T555 WeakPolarHBondContact O-CG2 3.15Å; D552-T555 WeakPolarHBondContact O-CB 3.21Å; D552-T555 WeakPolarHBondContact O-CG2 3.38Å; D552-T555 PolarHBondContact O-N 3.23Å; D552-T555 VanDerWaalsContact O-N 3.13Å; D552-T555 PolarHBondContact O-OG1 3.21Å; L553-T555 PolarHBondContact O-N 2.83Å; T555-G557 VanDerWaalsContact C-N 3.35Å
556L95.4Very high92Very high16 Ų1660 Ų608%0.08436%0.361CS..THydrogen-bonded Turntrans-77.7-20.7176.2-58178.1000112.7V518 Q522 L529 W544 L553 D554 L558 L560V518-L556 HydrophobicContact CG1-CD1 3.98Å; V518-L556 HydrophobicContact CG1-CD2 3.52Å; V518-L556 HydrophobicContact CG1-CG 3.62Å; Q522-L556 HydrophobicContact CB-CD2 3.94Å; Q522-L556 HydrophobicContact CG-CD2 4.17Å; L529-L556 HydrophobicContact CD1-CD2 4.24Å; L529-L556 HydrophobicContact CD2-CD2 4.2Å; W544-L556 HydrophobicContact CH2-CD1 4.12Å; L553-L556 HydrophobicContact CD2-CD1 4.45Å; L553-L556 VanDerWaalsContact O-CB 3.29Å; L553-L556 WeakPolarHBondContact O-CB 3.32Å; L553-L556 PolarHBondContact O-N 2.63Å; D554-L556 PolarHBondContact O-N 3.46Å; D554-L556 VanDerWaalsContact O-N 3.16Å; L556-L558 HydrophobicContact CB-CB 4.49Å; L556-L558 HydrophobicContact CB-CD1 4.16Å; L556-L558 HydrophobicContact CB-CG 3.93Å; L556-L558 HydrophobicContact CD1-CD1 4.32Å; L556-L558 PolarHBondContact O-N 3.12Å; L556-L560 HydrophobicContact CD1-CD1 4.36Å
557G94.6Very high90.3Very high69 Ų6962.1 Ų62.171%0.71138%0.378SS*.THydrogen-bonded Turntrans63.224.7-177.500000114.4D554 T555D554-G557 PolarHBondContact O-N 3.46Å; T555-G557 VanDerWaalsContact C-N 3.35Å
558L94.3Very high88.3Confident24 Ų2464.9 Ų64.913%0.12640%0.398CS..SBendtrans-96.6-12.9-177.1-63.1-177.6000114.1L529 R530 L532 K533 L556 L560L529-L558 HydrophobicContact CD1-CD1 4.3Å; L529-L558 HydrophobicContact CG-CD1 4.1Å; L529-L558 WeakPolarHBondContact O-CD1 3.28Å; R530-L558 HydrophobicContact CB-CD2 4.4Å; R530-L558 HydrophobicContact CG-CD2 3.78Å; L532-L558 HydrophobicContact CB-CD1 4.15Å; L532-L558 HydrophobicContact CD1-CD1 4.38Å; K533-L558 WeakPolarHBondContact CD-O 3.34Å; L556-L558 HydrophobicContact CB-CB 4.49Å; L556-L558 HydrophobicContact CB-CD1 4.16Å; L556-L558 HydrophobicContact CB-CG 3.93Å; L556-L558 HydrophobicContact CD1-CD1 4.32Å; L556-L558 PolarHBondContact O-N 3.12Å; L558-L560 HydrophobicContact CB-CD1 4.29Å; L558-L560 HydrophobicContact CB-CG 4.03Å; L558-L560 HydrophobicContact CD1-CD1 3.92Å; L558-L560 HydrophobicContact CD1-CG 4.47Å
559G94.7Very high85.9Confident42 Ų4270 Ų7043%0.43343%0.43SS..  trans64.339.7-171.900000112.7K533K533-G559 PolarHBondContact NZ-O 3Å
560L96Very high83.4Confident4 Ų473.6 Ų73.62%0.02146%0.456CS..  trans-80.8136.1168.8-67.9171.4000108.7L532 K533 E536 V545 Q550 L556 L558L532-L560 HydrophobicContact CB-CD1 4.12Å; K533-L560 HydrophobicContact CD-CD2 4.05Å; E536-L560 HydrophobicContact CB-CD2 4.13Å; V545-L560 HydrophobicContact CG1-CB 4.42Å; V545-L560 HydrophobicContact CG2-CD1 4.1Å; V545-L560 HydrophobicContact CG2-CD2 4.44Å; Q550-L560 PolarHBondContact NE2-O 2.76Å; L556-L560 HydrophobicContact CD1-CD1 4.36Å; L558-L560 HydrophobicContact CB-CD1 4.29Å; L558-L560 HydrophobicContact CB-CG 4.03Å; L558-L560 HydrophobicContact CD1-CD1 3.92Å; L558-L560 HydrophobicContact CD1-CG 4.47Å
561I94.4Very high80.9Confident122 Ų12281.9 Ų81.963%0.62651%0.509SS*.  trans-115.8126.1-176.3-56-60.8000109.4V545V545-I561 WeakPolarHBondContact CG1-O 3.47Å
562T93.1Very high80.2Confident16 Ų1682.3 Ų82.310%0.09851%0.509CS..  trans-89147.3174.3-172.60000111.3V545 N546 Q548 Q550 L553 R564V545-T562 PolarHBondContact O-OG1 3.22Å; N546-T562 WeakPolarHBondContact CA-OG1 3.39Å; Q548-T562 PolarHBondContact O-OG1 2.94Å; Q550-T562 HydrophobicContact CB-CG2 3.91Å; L553-T562 HydrophobicContact CD1-CG2 4.19Å; T562-R564 VanDerWaalsContact C-N 3.35Å; T562-R564 HydrophobicContact CG2-CB 4.17Å; T562-R564 VanDerWaalsContact OG1-CB 3.22Å; T562-R564 WeakPolarHBondContact OG1-CB 3.3Å; T562-R564 PolarHBondContact OG1-N 3.21Å; T562-R564 VanDerWaalsContact OG1-N 3.08Å
563T91.3Very high79.4Confident120 Ų12083.1 Ų83.174%0.73652%0.517SS*.  trans-91.7-1.4167.757.50000112.6N546 A565N546-T563 PolarHBondContact OD1-N 2.87Å; N546-T563 PolarHBondContact OD1-OG1 3.25Å; T563-A565 PolarHBondContact O-N 3.08Å
564R85.9Confident78.4Confident116 Ų11687.6 Ų87.644%0.43855%0.545SS..PPolyproline II helixtrans-64.3124.7175.3-171.9175.4174.2-176.7-6.2109.4N546 L547 T562 D566N546-R564 WeakPolarHBondContact O-CB 3.37Å; L547-R564 PolarHBondContact O-NH1 2.88Å; T562-R564 VanDerWaalsContact C-N 3.35Å; T562-R564 HydrophobicContact CG2-CB 4.17Å; T562-R564 VanDerWaalsContact OG1-CB 3.22Å; T562-R564 WeakPolarHBondContact OG1-CB 3.3Å; T562-R564 PolarHBondContact OG1-N 3.21Å; T562-R564 VanDerWaalsContact OG1-N 3.08Å; R564-D566 PolarHBondContact O-N 2.9Å
565A73.6Confident77.3Confident87 Ų8787.2 Ų87.272%0.71955%0.547SS*.PPolyproline II helixtrans-68.9127.8169.700000109.2T563T563-A565 PolarHBondContact O-N 3.08Å
566D62.8Low76.2Confident91 Ų9186.8 Ų86.849%0.48755%0.546SS..PPolyproline II helixtrans-62.6136.3171.9-75.6-31.2000109.1R564 T568R564-D566 PolarHBondContact O-N 2.9Å; D566-T568 PolarHBondContact O-N 3.1Å
567P60.2Low74.9Confident96 Ų9691.5 Ų91.562%0.62358%0.576SS**  trans-60.9112.5174.923.4-30.4000108.6V569P567-V569 PolarHBondContact O-N 3.36Å; P567-V569 VanDerWaalsContact O-N 3.07Å
568T51.9Low73.5Confident129 Ų12993.1 Ų93.179%0.79157%0.567SS**  trans-60.5114.8176.1470000108.6D566 P570D566-T568 PolarHBondContact O-N 3.1Å; T568-P570 VanDerWaalsContact O-CD 3.29Å; T568-P570 WeakPolarHBondContact O-CD 3.45Å
569V44.5Very low71.9Confident127 Ų12798.5 Ų98.577%0.7760%0.601SS**  trans-58.9118.7170.7-1790000107P567 T571P567-V569 PolarHBondContact O-N 3.36Å; P567-V569 VanDerWaalsContact O-N 3.07Å; V569-T571 PolarHBondContact O-N 3.15Å
570P43.1Very low70Confident121 Ų121103.2 Ų103.279%0.78662%0.615SS**  trans-64.2119.4170.6-12.427.3000107.5T568T568-P570 VanDerWaalsContact O-CD 3.29Å; T568-P570 WeakPolarHBondContact O-CD 3.45Å
571T42.9Very low67.6Low209 Ų209112.2 Ų112.2100%1.28267%0.669SS**  trans-62.40173.946.50000112.5V569V569-T571 PolarHBondContact O-N 3.15Å

Retrieved 571 of 571 residues in 602.9 ms (Link to these results)

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