A0A087YGW3_POEFO Loading...

Exocyst complex component 1

Component of the exocyst complex involved in the docking of exocytic vesicles with fusion sites on the plasma membrane.

AlphaFold DB , UniProt , Accession A0A087YGW3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 927 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
1M68Low82.8Confident78 Ų7875.7 Ų75.738%0.38439%0.394SS..  0-41.50-81.1-64.9-107.800114A3 I4 K5 I23 N25 F37 E107M1-A3 PolarHBondContact O-N 3.18Å; M1-I4 PolarHBondContact O-N 3.27Å; M1-I4 VanDerWaalsContact O-N 3.16Å; M1-K5 PolarHBondContact O-N 3.48Å; M1-I23 HydrophobicContact CE-CB 4.35Å; M1-I23 HydrophobicContact CE-CD1 4.18Å; M1-I23 HydrophobicContact CE-CG1 3.93Å; M1-I23 HydrophobicContact CE-CG2 3.89Å; M1-I23 HydrophobicContact SD-CD1 4.41Å; M1-N25 HydrophobicContact CE-CB 4.42Å; M1-F37 HydrophobicContact SD-CE1 4.12Å; M1-E107 VanDerWaalsContact CG-OE1 3.29Å; M1-E107 WeakPolarHBondContact CG-OE1 3.47Å
2T75.1Confident83.2Confident101 Ų10170.3 Ų70.362%0.6237%0.365SS*.Hα-helixtrans-58.4-45.4-175.3-40.90000114.9I4 K5 H6T2-I4 VanDerWaalsContact C-N 3.32Å; T2-I4 PolarHBondContact O-N 3.19Å; T2-K5 WeakPolarHBondContact O-CB 3.4Å; T2-K5 PolarHBondContact O-N 2.88Å; T2-H6 PolarHBondContact O-CD2 2.92Å; T2-H6 VanDerWaalsContact O-CD2 3.28Å; T2-H6 PolarHBondContact O-N 3.21Å
3A79.4Confident83.7Confident81 Ų8164.8 Ų64.867%0.66934%0.337SS*.Hα-helixtrans-61.8-38.8176.200000112.7M1 H6 A7M1-A3 PolarHBondContact O-N 3.18Å; A3-H6 PolarHBondContact O-N 3.25Å; A3-A7 PolarHBondContact O-N 3.32Å
4I83.6Confident83.8Confident48 Ų4865.6 Ų65.625%0.24635%0.346CS..Hα-helixtrans-67.4-40.5175.6-60172.8000110.2M1 T2 H6 A7 L8 I23 F37M1-I4 PolarHBondContact O-N 3.27Å; M1-I4 VanDerWaalsContact O-N 3.16Å; T2-I4 VanDerWaalsContact C-N 3.32Å; T2-I4 PolarHBondContact O-N 3.19Å; I4-H6 PolarHBondContact O-N 3.43Å; I4-A7 PolarHBondContact O-N 3.29Å; I4-L8 HydrophobicContact CG2-CD1 3.9Å; I4-L8 HydrophobicContact CG2-CG 4.14Å; I4-L8 WeakPolarHBondContact O-CB 3.47Å; I4-L8 VanDerWaalsContact O-CG 3.29Å; I4-L8 WeakPolarHBondContact O-CG 3.25Å; I4-L8 PolarHBondContact O-N 2.67Å; I4-I23 HydrophobicContact CG2-CD1 4.15Å; I4-F37 HydrophobicContact CD1-CE1 4.38Å; I4-F37 HydrophobicContact CD1-CZ 4.08Å; I4-F37 HydrophobicContact CG2-CE1 4.29Å; I4-F37 HydrophobicContact CG2-CZ 4.22Å
5K84.9Confident83.9Confident76 Ų7667.1 Ų67.133%0.3336%0.361SS..Hα-helixtrans-58.9-44.3175.1-173178176.6170.60111.6M1 T2 Q9 L20 L21 I23M1-K5 PolarHBondContact O-N 3.48Å; T2-K5 WeakPolarHBondContact O-CB 3.4Å; T2-K5 PolarHBondContact O-N 2.88Å; K5-Q9 VanDerWaalsContact O-CB 3.27Å; K5-Q9 WeakPolarHBondContact O-CB 3.45Å; K5-Q9 PolarHBondContact O-N 3.04Å; K5-L20 WeakPolarHBondContact CE-O 3.48Å; K5-L20 HydrophobicContact CG-CD2 3.76Å; K5-L20 HydrophobicContact CG-CG 4.29Å; K5-L21 PolarHBondContact NZ-O 3.03Å; K5-L21 VanDerWaalsContact NZ-O 3.1Å; K5-I23 HydrophobicContact CB-CG2 4.42Å; K5-I23 HydrophobicContact CD-CG2 4.46Å; K5-I23 HydrophobicContact CG-CG2 4.46Å
6H85.5Confident83.9Confident132 Ų13268.1 Ų68.161%0.61137%0.366SS*.Hα-helixtrans-66.6-42.3176.1-79.4-75.4000113T2 A3 I4 Q9 R10T2-H6 PolarHBondContact O-CD2 2.92Å; T2-H6 VanDerWaalsContact O-CD2 3.28Å; T2-H6 PolarHBondContact O-N 3.21Å; A3-H6 PolarHBondContact O-N 3.25Å; I4-H6 PolarHBondContact O-N 3.43Å; H6-Q9 PolarHBondContact O-N 3.26Å; H6-R10 WeakPolarHBondContact O-CB 3.26Å; H6-R10 PolarHBondContact O-N 3.4Å
7A85.2Confident83.9Confident23 Ų2369.4 Ų69.419%0.1937%0.373CS..Hα-helixtrans-62.6-46.9176.300000111.5A3 I4 Q9 R10 D11A3-A7 PolarHBondContact O-N 3.32Å; I4-A7 PolarHBondContact O-N 3.29Å; A7-Q9 PolarHBondContact O-N 3.15Å; A7-R10 PolarHBondContact O-N 2.91Å; A7-D11 VanDerWaalsContact O-CB 3.22Å; A7-D11 WeakPolarHBondContact O-CB 3.49Å; A7-D11 PolarHBondContact O-N 3.4Å
8L87.8Confident84.2Confident0 Ų065.9 Ų65.90%035%0.354CS..Hα-helixtrans-64.8-40.5176.6-69.5-179.2000112.2I4 I12 F13 L20 I23 V55 Y64I4-L8 HydrophobicContact CG2-CD1 3.9Å; I4-L8 HydrophobicContact CG2-CG 4.14Å; I4-L8 WeakPolarHBondContact O-CB 3.47Å; I4-L8 VanDerWaalsContact O-CG 3.29Å; I4-L8 WeakPolarHBondContact O-CG 3.25Å; I4-L8 PolarHBondContact O-N 2.67Å; L8-I12 HydrophobicContact CD2-CD1 3.88Å; L8-I12 HydrophobicContact CD2-CG1 4.3Å; L8-I12 WeakPolarHBondContact O-CA 3.49Å; L8-I12 WeakPolarHBondContact O-CB 3.39Å; L8-I12 PolarHBondContact O-N 3.27Å; L8-F13 HydrophobicContact CB-CD2 4.23Å; L8-F13 HydrophobicContact CB-CE2 4.02Å; L8-F13 WeakPolarHBondContact O-CD2 3.27Å; L8-F13 PolarHBondContact O-N 3.38Å; L8-F13 VanDerWaalsContact O-N 3.09Å; L8-L20 HydrophobicContact CB-CD2 4.02Å; L8-I23 HydrophobicContact CD1-CD1 3.57Å; L8-V55 HydrophobicContact CD2-CG1 3.79Å; L8-Y64 VanDerWaalsContact CD2-CB 3.49Å; L8-Y64 HydrophobicContact CD2-CD1 3.79Å; L8-Y64 HydrophobicContact CD2-CD2 3.72Å; L8-Y64 HydrophobicContact CD2-CE1 4.44Å; L8-Y64 HydrophobicContact CD2-CE2 4.38Å; L8-Y64 HydrophobicContact CD2-CG 3.39Å
9Q89.1Confident84.5Confident42 Ų4270.9 Ų70.920%0.19637%0.367CS..Iπ-helixtrans-57-55.4173.9179.261.659.700110.2K5 H6 A7 F13 T14 E18 L20K5-Q9 VanDerWaalsContact O-CB 3.27Å; K5-Q9 WeakPolarHBondContact O-CB 3.45Å; K5-Q9 PolarHBondContact O-N 3.04Å; H6-Q9 PolarHBondContact O-N 3.26Å; A7-Q9 PolarHBondContact O-N 3.15Å; Q9-F13 CarbonylContact O-C 3.59Å; Q9-F13 PolarHBondContact O-N 2.85Å; Q9-F13 VanDerWaalsContact O-N 3.16Å; Q9-T14 PolarHBondContact NE2-OG1 2.72Å; Q9-T14 WeakPolarHBondContact O-CB 3.35Å; Q9-T14 PolarHBondContact O-N 3.35Å; Q9-T14 PolarHBondContact O-OG1 3.43Å; Q9-E18 PolarHBondContact NE2-O 2.98Å; Q9-L20 VanDerWaalsContact OE1-CB 3.24Å
10R87.7Confident84.8Confident168 Ų16867.6 Ų67.663%0.63435%0.35SS*.Iπ-helixtrans-66.7-45-176.1-173.7-17465.1-164.8-4.2113.2H6 A7 P15H6-R10 WeakPolarHBondContact O-CB 3.26Å; H6-R10 PolarHBondContact O-N 3.4Å; A7-R10 PolarHBondContact O-N 2.91Å; R10-P15 WeakPolarHBondContact O-CD 3.22Å
11D84.8Confident85Confident84 Ų8467 Ų6745%0.44935%0.347SS..Iπ-helixtrans-91.8-25.4-166.6-55.5-15.7000112.3A7A7-D11 VanDerWaalsContact O-CB 3.22Å; A7-D11 WeakPolarHBondContact O-CB 3.49Å; A7-D11 PolarHBondContact O-N 3.4Å
12I87.3Confident86Confident10 Ų1063.6 Ų63.65%0.05133%0.332CS..Iπ-helixtrans-115-45.2-177.7-63.7-160.8000113L8 N16 V55 R66L8-I12 HydrophobicContact CD2-CD1 3.88Å; L8-I12 HydrophobicContact CD2-CG1 4.3Å; L8-I12 WeakPolarHBondContact O-CA 3.49Å; L8-I12 WeakPolarHBondContact O-CB 3.39Å; L8-I12 PolarHBondContact O-N 3.27Å; I12-N16 PolarHBondContact O-ND2 3.12Å; I12-V55 HydrophobicContact CD1-CG1 3.58Å; I12-V55 HydrophobicContact CD1-CG2 4.24Å; I12-R66 HydrophobicContact CG2-CG 3.51Å; I12-R66 PolarHBondContact O-NH2 3.09Å
13F89.3Confident86.8Confident0 Ų060 Ų600%031%0.309CS..Iπ-helixtrans-95.7-38.3-166.5-61.5-69000113.7L8 Q9 N16 D17 E18 L20 C39 T41 V53 V55L8-F13 HydrophobicContact CB-CD2 4.23Å; L8-F13 HydrophobicContact CB-CE2 4.02Å; L8-F13 WeakPolarHBondContact O-CD2 3.27Å; L8-F13 PolarHBondContact O-N 3.38Å; L8-F13 VanDerWaalsContact O-N 3.09Å; Q9-F13 CarbonylContact O-C 3.59Å; Q9-F13 PolarHBondContact O-N 2.85Å; Q9-F13 VanDerWaalsContact O-N 3.16Å; F13-N16 CarbonylContact O-C 3.58Å; F13-N16 PolarHBondContact O-N 3.19Å; F13-D17 PolarHBondContact O-N 3.39Å; F13-E18 CarbonylContact C-O 3.58Å; F13-E18 VanDerWaalsContact C-O 3.29Å; F13-E18 HydrophobicContact CB-CB 4.11Å; F13-E18 VanDerWaalsContact CB-O 3.28Å; F13-E18 WeakPolarHBondContact CB-O 3.47Å; F13-E18 HydrophobicContact CD1-CB 4.21Å; F13-E18 WeakPolarHBondContact CD1-OE2 3.47Å; F13-E18 PolarHBondContact O-N 3.4Å; F13-L20 HydrophobicContact CD2-CB 3.96Å; F13-L20 HydrophobicContact CD2-CD1 4.26Å; F13-L20 HydrophobicContact CD2-CD2 4.02Å; F13-L20 HydrophobicContact CD2-CG 4.32Å; F13-L20 HydrophobicContact CE2-CB 4.45Å; F13-L20 HydrophobicContact CE2-CD1 3.89Å; F13-L20 HydrophobicContact CE2-CD2 3.97Å; F13-L20 HydrophobicContact CE2-CG 4.34Å; F13-L20 HydrophobicContact CG-CB 4.48Å; F13-L20 HydrophobicContact CZ-CD1 4.39Å; F13-C39 HydrophobicContact CE1-CB 4.42Å; F13-C39 HydrophobicContact CE2-CB 3.93Å; F13-C39 HydrophobicContact CZ-CB 3.48Å; F13-C39 VanDerWaalsContact CZ-CB 3.48Å; F13-T41 HydrophobicContact CD1-CG2 3.44Å; F13-T41 VanDerWaalsContact CD1-CG2 3.44Å; F13-T41 HydrophobicContact CD2-CG2 4.31Å; F13-T41 HydrophobicContact CE1-CG2 3.37Å; F13-T41 HydrophobicContact CE2-CG2 4.23Å; F13-T41 HydrophobicContact CG-CG2 3.96Å; F13-T41 HydrophobicContact CZ-CG2 3.8Å; F13-V53 HydrophobicContact CE1-CB 4.08Å; F13-V53 HydrophobicContact CE1-CG1 4.26Å; F13-V53 HydrophobicContact CE1-CG2 4.14Å; F13-V53 HydrophobicContact CZ-CB 4.31Å; F13-V53 HydrophobicContact CZ-CG1 4.48Å; F13-V55 HydrophobicContact CZ-CG2 4.03Å
14T86.1Confident87.4Confident75 Ų7556.1 Ų56.146%0.4628%0.277SS..G310 helixtrans-60.2-40.7175.7-630000113.2Q9 N16 D17Q9-T14 PolarHBondContact NE2-OG1 2.72Å; Q9-T14 WeakPolarHBondContact O-CB 3.35Å; Q9-T14 PolarHBondContact O-N 3.35Å; Q9-T14 PolarHBondContact O-OG1 3.43Å; T14-N16 PolarHBondContact O-N 3.01Å; T14-D17 PolarHBondContact O-N 2.71Å
15P85.4Confident87.7Confident89 Ų8955.3 Ų55.358%0.57827%0.273SS*.G310 helixtrans-68.9-10.2175.3-20.433.8000114.5R10R10-P15 WeakPolarHBondContact O-CD 3.22Å
16N82.6Confident87.9Confident82 Ų8251.7 Ų51.744%0.43926%0.258SS..G310 helixtrans-113.816.5179.5-68.3-78.6000111.6I12 F13 T14 E18 R66I12-N16 PolarHBondContact O-ND2 3.12Å; F13-N16 CarbonylContact O-C 3.58Å; F13-N16 PolarHBondContact O-N 3.19Å; T14-N16 PolarHBondContact O-N 3.01Å; N16-E18 WeakPolarHBondContact O-CG 3.41Å; N16-E18 PolarHBondContact O-N 3.06Å; N16-R66 VanDerWaalsContact ND2-CZ 3.32Å; N16-R66 PolarHBondContact ND2-NH2 3.03Å; N16-R66 VanDerWaalsContact ND2-NH2 3.18Å
17D85.4Confident87.8Confident90 Ų9046.7 Ų46.748%0.48124%0.237SC..THydrogen-bonded Turntrans53.840.2-179.2-60-52.7000112.7F13 T14 T43 T44F13-D17 PolarHBondContact O-N 3.39Å; T14-D17 PolarHBondContact O-N 2.71Å; D17-T43 CarbonylContact O-C 3.15Å; D17-T43 WeakPolarHBondContact O-CA 3.37Å; D17-T44 WeakPolarHBondContact CB-OG1 3.18Å; D17-T44 PolarHBondContact O-N 3.47Å; D17-T44 PolarHBondContact O-OG1 3.3Å
18E89.3Confident87.4Confident8 Ų851.3 Ų51.34%0.03725%0.253CS..EExtended strand (participates in β ladder)trans-120.9136.2-179-76.3170.6175.900111Q9 F13 N16 V42 T43 K51 R66Q9-E18 PolarHBondContact NE2-O 2.98Å; F13-E18 CarbonylContact C-O 3.58Å; F13-E18 VanDerWaalsContact C-O 3.29Å; F13-E18 HydrophobicContact CB-CB 4.11Å; F13-E18 VanDerWaalsContact CB-O 3.28Å; F13-E18 WeakPolarHBondContact CB-O 3.47Å; F13-E18 HydrophobicContact CD1-CB 4.21Å; F13-E18 WeakPolarHBondContact CD1-OE2 3.47Å; F13-E18 PolarHBondContact O-N 3.4Å; N16-E18 WeakPolarHBondContact O-CG 3.41Å; N16-E18 PolarHBondContact O-N 3.06Å; E18-V42 CarbonylContact C-O 3.58Å; E18-V42 WeakPolarHBondContact CA-O 3.36Å; E18-T43 HydrophobicContact CG-CG2 4.02Å; E18-K51 IonicContact OE1-NZ 2.75Å; E18-K51 PolarHBondContact OE1-NZ 3.31Å; E18-R66 IonicContact OE1-NH1 2.82Å; E18-R66 IonicContact OE2-CZ 3.44Å; E18-R66 IonicContact OE2-NH1 3.23Å; E18-R66 PolarHBondContact OE2-NH1 2.82Å; E18-R66 IonicContact OE2-NH2 2.73Å; E18-R66 PolarHBondContact OE2-NH2 2.81Å
19R89.2Confident86Confident160 Ų16053.2 Ų53.260%0.60427%0.269SS*.EExtended strand (participates in β ladder)trans-102.1123.4173.5-172.1177.8-178.7-178.11.4110.4L21 T41 V42R19-L21 HydrophobicContact CG-CD2 4.23Å; R19-T41 CarbonylContact O-C 3.58Å; R19-T41 VanDerWaalsContact O-CA 3.24Å; R19-T41 WeakPolarHBondContact O-CA 3.43Å; R19-V42 HydrophobicContact CB-CG2 3.98Å; R19-V42 PolarHBondContact N-O 3.4Å; R19-V42 PolarHBondContact O-N 2.96Å
20L90.3Very high84.6Confident5 Ų555.3 Ų55.33%0.02630%0.302CS..EExtended strand (participates in β ladder)trans-80.1112.8177.8-179.961.6000111K5 L8 Q9 F13 G22 C39 T41K5-L20 WeakPolarHBondContact CE-O 3.48Å; K5-L20 HydrophobicContact CG-CD2 3.76Å; K5-L20 HydrophobicContact CG-CG 4.29Å; L8-L20 HydrophobicContact CB-CD2 4.02Å; Q9-L20 VanDerWaalsContact OE1-CB 3.24Å; F13-L20 HydrophobicContact CD2-CB 3.96Å; F13-L20 HydrophobicContact CD2-CD1 4.26Å; F13-L20 HydrophobicContact CD2-CD2 4.02Å; F13-L20 HydrophobicContact CD2-CG 4.32Å; F13-L20 HydrophobicContact CE2-CB 4.45Å; F13-L20 HydrophobicContact CE2-CD1 3.89Å; F13-L20 HydrophobicContact CE2-CD2 3.97Å; F13-L20 HydrophobicContact CE2-CG 4.34Å; F13-L20 HydrophobicContact CG-CB 4.48Å; F13-L20 HydrophobicContact CZ-CD1 4.39Å; L20-G22 VanDerWaalsContact CD1-O 3.31Å; L20-G22 WeakPolarHBondContact CD1-O 3.26Å; L20-C39 HydrophobicContact CD1-CB 3.5Å; L20-C39 VanDerWaalsContact CD1-CB 3.5Å; L20-T41 HydrophobicContact CB-CG2 4.28Å; L20-T41 HydrophobicContact CD1-CG2 3.72Å
21L88.5Confident82.9Confident54 Ų5455.4 Ų55.428%0.28331%0.307SS..EExtended strand (participates in β ladder)trans-98.8-48.1-178-62.8-179.6000112K5 R19 A40 V42 L118K5-L21 PolarHBondContact NZ-O 3.03Å; K5-L21 VanDerWaalsContact NZ-O 3.1Å; R19-L21 HydrophobicContact CG-CD2 4.23Å; L21-A40 PolarHBondContact N-O 3.29Å; L21-V42 HydrophobicContact CD1-CB 4.34Å; L21-V42 HydrophobicContact CD1-CG1 3.6Å; L21-V42 HydrophobicContact CD1-CG2 3.76Å; L21-V42 HydrophobicContact CG-CG2 4.13Å; L21-L118 HydrophobicContact CD1-CD1 4.44Å; L21-L118 HydrophobicContact CD1-CD2 3.41Å; L21-L118 VanDerWaalsContact CD1-CD2 3.41Å; L21-L118 HydrophobicContact CD1-CG 4.27Å
22G89.1Confident81.1Confident7 Ų761.5 Ų61.57%0.07233%0.329CS..EExtended strand (participates in β ladder)trans-123.1146.2-179.500000112.5L20 C39 A40 C114L20-G22 VanDerWaalsContact CD1-O 3.31Å; L20-G22 WeakPolarHBondContact CD1-O 3.26Å; G22-C39 CarbonylContact O-C 3.09Å; G22-C39 WeakPolarHBondContact O-CA 3.49Å; G22-A40 PolarHBondContact N-O 3.24Å; G22-A40 PolarHBondContact O-N 2.92Å; G22-C114 VanDerWaalsContact CA-SG 3.58Å
23I92.1Very high79.7Confident26 Ų2670.2 Ų70.213%0.13337%0.367CS..EExtended strand (participates in β ladder)trans-143.5136175.5-174.1-177.4000110M1 I4 K5 L8 F37 L38M1-I23 HydrophobicContact CE-CB 4.35Å; M1-I23 HydrophobicContact CE-CD1 4.18Å; M1-I23 HydrophobicContact CE-CG1 3.93Å; M1-I23 HydrophobicContact CE-CG2 3.89Å; M1-I23 HydrophobicContact SD-CD1 4.41Å; I4-I23 HydrophobicContact CG2-CD1 4.15Å; K5-I23 HydrophobicContact CB-CG2 4.42Å; K5-I23 HydrophobicContact CD-CG2 4.46Å; K5-I23 HydrophobicContact CG-CG2 4.46Å; L8-I23 HydrophobicContact CD1-CD1 3.57Å; I23-F37 HydrophobicContact CD1-CB 4.47Å; I23-F37 HydrophobicContact CD1-CD1 3.92Å; I23-F37 HydrophobicContact CD1-CG 4.4Å; I23-F37 HydrophobicContact CG1-CB 4.38Å; I23-F37 HydrophobicContact CG1-CD1 4.16Å; I23-L38 CarbonylContact C-O 3.57Å; I23-L38 WeakPolarHBondContact CA-O 3.47Å
24V92Very high78.6Confident0 Ų076.6 Ų76.60%039%0.394CS..EExtended strand (participates in β ladder)trans-135.9138173.160.30000110.5V26 F37 L38 F90 A102 E107 F111V24-V26 HydrophobicContact CB-CG1 4.36Å; V24-V26 HydrophobicContact CG1-CG1 3.8Å; V24-V26 HydrophobicContact CG2-CG1 3.78Å; V24-F37 CarbonylContact O-C 3.6Å; V24-F37 VanDerWaalsContact O-CA 3.32Å; V24-F37 WeakPolarHBondContact O-CA 3.38Å; V24-L38 HydrophobicContact CG1-CB 3.73Å; V24-L38 HydrophobicContact CG1-CD1 4.37Å; V24-L38 HydrophobicContact CG1-CG 4.49Å; V24-L38 PolarHBondContact N-O 3.15Å; V24-L38 PolarHBondContact O-N 3.42Å; V24-F90 HydrophobicContact CG1-CZ 4.37Å; V24-A102 HydrophobicContact CG2-CB 3.95Å; V24-E107 HydrophobicContact CG2-CB 4.13Å; V24-F111 HydrophobicContact CB-CB 3.78Å; V24-F111 HydrophobicContact CB-CD1 4.26Å; V24-F111 HydrophobicContact CB-CD2 3.98Å; V24-F111 HydrophobicContact CB-CG 3.76Å; V24-F111 HydrophobicContact CG1-CB 3.96Å; V24-F111 HydrophobicContact CG1-CD1 3.46Å; V24-F111 VanDerWaalsContact CG1-CD1 3.46Å; V24-F111 HydrophobicContact CG1-CD2 3.63Å; V24-F111 HydrophobicContact CG1-CE1 3.75Å; V24-F111 HydrophobicContact CG1-CE2 3.92Å; V24-F111 HydrophobicContact CG1-CG 3.39Å; V24-F111 HydrophobicContact CG1-CZ 3.98Å; V24-F111 HydrophobicContact CG2-CB 4.43Å
25N90.1Very high78.2Confident30 Ų3077.4 Ų77.416%0.1640%0.396CS..EExtended strand (participates in β ladder)trans-87.7119.2172.7-177.87.6000109.4M1 F37 A102 S103 E107M1-N25 HydrophobicContact CE-CB 4.42Å; N25-F37 HydrophobicContact CB-CD1 3.97Å; N25-F37 HydrophobicContact CB-CE1 3.74Å; N25-A102 CarbonylContact O-C 3.53Å; N25-A102 WeakPolarHBondContact O-CA 3.37Å; N25-S103 PolarHBondContact O-N 3.21Å; N25-E107 PolarHBondContact N-OE2 2.7Å
26V89.1Confident78.4Confident1 Ų173.4 Ų73.41%0.00637%0.37CS..EExtended strand (participates in β ladder)trans-131.7152.4-173.8-60.20000113.6V24 C36 L38 F90 W100 L101V24-V26 HydrophobicContact CB-CG1 4.36Å; V24-V26 HydrophobicContact CG1-CG1 3.8Å; V24-V26 HydrophobicContact CG2-CG1 3.78Å; V26-C36 PolarHBondContact N-O 2.98Å; V26-C36 PolarHBondContact O-N 2.92Å; V26-C36 PolarHBondContact O-SG 2.72Å; V26-L38 HydrophobicContact CG1-CD1 4.21Å; V26-L38 HydrophobicContact CG2-CD1 3.84Å; V26-L38 HydrophobicContact CG2-CG 3.7Å; V26-F90 HydrophobicContact CG1-CE1 3.87Å; V26-F90 HydrophobicContact CG1-CZ 3.9Å; V26-W100 HydrophobicContact CB-CB 4.31Å; V26-W100 HydrophobicContact CB-CE3 4.08Å; V26-W100 HydrophobicContact CG1-CB 4.27Å; V26-W100 HydrophobicContact CG2-CD2 4.1Å; V26-W100 HydrophobicContact CG2-CE3 3.51Å; V26-W100 HydrophobicContact CG2-CZ3 3.98Å; V26-L101 CarbonylContact C-O 3.39Å; V26-L101 WeakPolarHBondContact CA-O 3.36Å
27C84.6Confident78.8Confident27 Ų2770.5 Ų70.518%0.18235%0.354CS..EExtended strand (participates in β ladder)trans-110.9148.1164.4-71.60000110.2A29 N35 L101C27-A29 PolarHBondContact O-N 2.99Å; C27-N35 PolarHBondContact SG-OD1 3.37Å; C27-L101 HydrophobicContact CB-CB 4.47Å; C27-L101 PolarHBondContact N-O 2.8Å; C27-L101 PolarHBondContact O-N 3.36Å
28K74.9Confident79.1Confident119 Ų11966.2 Ų66.252%0.51733%0.331SS..EExtended strand (participates in β ladder)trans-74.5125.5171.3-171.7173-179172.30108.9G30 W100K28-G30 PolarHBondContact O-N 2.91Å; K28-W100 HydrophobicContact CB-CZ3 4.26Å
29A59.9Low79.3Confident41 Ų4165.8 Ų65.834%0.33933%0.329SS..THydrogen-bonded Turntrans-55.4129.7-178.900000111.1C27 K99C27-A29 PolarHBondContact O-N 2.99Å; A29-K99 HydrophobicContact CB-CB 3.99Å; A29-K99 PolarHBondContact N-O 3.06Å
30G58.8Low79.4Confident86 Ų8658.2 Ų58.289%0.88730%0.301SS*.THydrogen-bonded Turntrans90.43.5174.900000118.3K28K28-G30 PolarHBondContact O-N 2.91Å
31K53.3Low79.5Confident169 Ų16958 Ų5874%0.73530%0.299SS*.SBendtrans-127.2128.8173.7-68.3-168.3178.4-170.10112.6K33K31-K33 PolarHBondContact O-N 3.37Å
32K46.4Very low79.6Confident213 Ų21355.9 Ų55.993%0.92629%0.289SS*.SBendtrans-57.5117.5-178-78.8-177.3176177.30112.4
33K56.7Low79.6Confident192 Ų19256.6 Ų56.684%0.83529%0.291SS*.SBendtrans45.870.9156-70.3-174.9174.4-1790118.2K31K31-K33 PolarHBondContact O-N 3.37Å
34K66.8Low79Confident134 Ų13459.6 Ų59.658%0.58331%0.311SS*.  trans-132.699.6150.5-69.4-165-179.2-168.20109.7
35N78.4Confident78.1Confident93 Ų9364.3 Ų64.350%0.49733%0.333SS..  trans-64.5139.3177.4-64.52.8000110.3C27C27-N35 PolarHBondContact SG-OD1 3.37Å
36C88.5Confident77.2Confident5 Ų568.5 Ų68.53%0.03435%0.347CS..EExtended strand (participates in β ladder)trans-140.6159.5172.657.60000110V26 K54 K56V26-C36 PolarHBondContact N-O 2.98Å; V26-C36 PolarHBondContact O-N 2.92Å; V26-C36 PolarHBondContact O-SG 2.72Å; C36-K54 HydrophobicContact CB-CG 4.48Å; C36-K54 WeakPolarHBondContact SG-CE 3.44Å; C36-K56 HydrophobicContact CB-CG 4.48Å
37F91.2Very high76.5Confident20 Ų2073.6 Ų73.69%0.08838%0.38CS..EExtended strand (participates in β ladder)trans-105133.6-180-62.3-83.8000109.9M1 I4 I23 V24 N25 K54 V55 Y64M1-F37 HydrophobicContact SD-CE1 4.12Å; I4-F37 HydrophobicContact CD1-CE1 4.38Å; I4-F37 HydrophobicContact CD1-CZ 4.08Å; I4-F37 HydrophobicContact CG2-CE1 4.29Å; I4-F37 HydrophobicContact CG2-CZ 4.22Å; I23-F37 HydrophobicContact CD1-CB 4.47Å; I23-F37 HydrophobicContact CD1-CD1 3.92Å; I23-F37 HydrophobicContact CD1-CG 4.4Å; I23-F37 HydrophobicContact CG1-CB 4.38Å; I23-F37 HydrophobicContact CG1-CD1 4.16Å; V24-F37 CarbonylContact O-C 3.6Å; V24-F37 VanDerWaalsContact O-CA 3.32Å; V24-F37 WeakPolarHBondContact O-CA 3.38Å; N25-F37 HydrophobicContact CB-CD1 3.97Å; N25-F37 HydrophobicContact CB-CE1 3.74Å; F37-K54 CarbonylContact O-C 3.58Å; F37-K54 WeakPolarHBondContact O-CA 3.11Å; F37-V55 HydrophobicContact CB-CB 4.46Å; F37-V55 PolarHBondContact N-O 2.8Å; F37-V55 PolarHBondContact O-N 2.8Å; F37-Y64 HydrophobicContact CD2-CE1 4.17Å; F37-Y64 AromaticContact CE2-CE1 3.83Å; F37-Y64 HydrophobicContact CE2-CE1 3.83Å
38L91.8Very high76.3Confident0 Ų074.9 Ų74.90%039%0.387CS..EExtended strand (participates in β ladder)trans-97.5131.4162.9-64.3172.1000108.2I23 V24 V26 K54 W70 F90 L92 W100 F111I23-L38 CarbonylContact C-O 3.57Å; I23-L38 WeakPolarHBondContact CA-O 3.47Å; V24-L38 HydrophobicContact CG1-CB 3.73Å; V24-L38 HydrophobicContact CG1-CD1 4.37Å; V24-L38 HydrophobicContact CG1-CG 4.49Å; V24-L38 PolarHBondContact N-O 3.15Å; V24-L38 PolarHBondContact O-N 3.42Å; V26-L38 HydrophobicContact CG1-CD1 4.21Å; V26-L38 HydrophobicContact CG2-CD1 3.84Å; V26-L38 HydrophobicContact CG2-CG 3.7Å; L38-K54 HydrophobicContact CD2-CB 3.93Å; L38-K54 HydrophobicContact CD2-CG 4.07Å; L38-W70 HydrophobicContact CD2-CH2 4.5Å; L38-W70 HydrophobicContact CD2-CZ3 3.91Å; L38-F90 HydrophobicContact CD1-CE2 4.46Å; L38-F90 HydrophobicContact CD1-CZ 4.13Å; L38-L92 HydrophobicContact CD1-CD1 4.44Å; L38-W100 HydrophobicContact CD1-CD2 3.93Å; L38-W100 HydrophobicContact CD1-CG 3.98Å; L38-W100 HydrophobicContact CD1-CZ2 4.49Å; L38-W100 HydrophobicContact CD2-CZ2 4.19Å; L38-F111 HydrophobicContact CB-CE1 4.16Å; L38-F111 HydrophobicContact CB-CE2 4.35Å; L38-F111 HydrophobicContact CB-CZ 3.74Å; L38-F111 HydrophobicContact CD1-CE1 4.43Å
39C92.9Very high76.8Confident0 Ų072.8 Ų72.80%038%0.379CS..EExtended strand (participates in β ladder)trans-124.3121.3-173.2-670000108.8F13 L20 G22 T41 V52 V53F13-C39 HydrophobicContact CE1-CB 4.42Å; F13-C39 HydrophobicContact CE2-CB 3.93Å; F13-C39 HydrophobicContact CZ-CB 3.48Å; F13-C39 VanDerWaalsContact CZ-CB 3.48Å; L20-C39 HydrophobicContact CD1-CB 3.5Å; L20-C39 VanDerWaalsContact CD1-CB 3.5Å; G22-C39 CarbonylContact O-C 3.09Å; G22-C39 WeakPolarHBondContact O-CA 3.49Å; C39-T41 HydrophobicContact CB-CG2 4.42Å; C39-V52 CarbonylContact O-C 3.52Å; C39-V52 WeakPolarHBondContact O-CA 3.3Å; C39-V53 HydrophobicContact CB-CB 4.48Å; C39-V53 WeakPolarHBondContact CB-O 3.38Å; C39-V53 PolarHBondContact N-O 2.64Å; C39-V53 PolarHBondContact O-N 3.26Å
40A91.6Very high78.2Confident1 Ų171.4 Ų71.41%0.00837%0.366CS..EExtended strand (participates in β ladder)trans-94.3117.3173.400000108.8L21 G22 K51 F111 L118L21-A40 PolarHBondContact N-O 3.29Å; G22-A40 PolarHBondContact N-O 3.24Å; G22-A40 PolarHBondContact O-N 2.92Å; A40-K51 WeakPolarHBondContact CA-O 3.3Å; A40-F111 HydrophobicContact CB-CE2 3.97Å; A40-F111 HydrophobicContact CB-CZ 4.42Å; A40-L118 HydrophobicContact CB-CD1 3.73Å
41T92Very high79.8Confident0 Ų068.7 Ų68.70%033%0.33CS..EExtended strand (participates in β ladder)trans-126153.9-172.963.50000112.3F13 R19 L20 C39 V50 K51F13-T41 HydrophobicContact CD1-CG2 3.44Å; F13-T41 VanDerWaalsContact CD1-CG2 3.44Å; F13-T41 HydrophobicContact CD2-CG2 4.31Å; F13-T41 HydrophobicContact CE1-CG2 3.37Å; F13-T41 HydrophobicContact CE2-CG2 4.23Å; F13-T41 HydrophobicContact CG-CG2 3.96Å; F13-T41 HydrophobicContact CZ-CG2 3.8Å; R19-T41 CarbonylContact O-C 3.58Å; R19-T41 VanDerWaalsContact O-CA 3.24Å; R19-T41 WeakPolarHBondContact O-CA 3.43Å; L20-T41 HydrophobicContact CB-CG2 4.28Å; L20-T41 HydrophobicContact CD1-CG2 3.72Å; C39-T41 HydrophobicContact CB-CG2 4.42Å; T41-V50 WeakPolarHBondContact O-CA 3.46Å; T41-K51 PolarHBondContact N-O 3.18Å; T41-K51 PolarHBondContact O-N 3.09Å
42V91.7Very high81.6Confident10 Ų1060.7 Ų60.76%0.06130%0.295CS..EExtended strand (participates in β ladder)trans-123139.7172.6-64.60000109.6E18 R19 L21 V48 Q49 V50 L118 Y122E18-V42 CarbonylContact C-O 3.58Å; E18-V42 WeakPolarHBondContact CA-O 3.36Å; R19-V42 HydrophobicContact CB-CG2 3.98Å; R19-V42 PolarHBondContact N-O 3.4Å; R19-V42 PolarHBondContact O-N 2.96Å; L21-V42 HydrophobicContact CD1-CB 4.34Å; L21-V42 HydrophobicContact CD1-CG1 3.6Å; L21-V42 HydrophobicContact CD1-CG2 3.76Å; L21-V42 HydrophobicContact CG-CG2 4.13Å; V42-V48 HydrophobicContact CB-CG1 4.07Å; V42-V48 HydrophobicContact CG1-CG1 4.43Å; V42-Q49 WeakPolarHBondContact CA-O 3.06Å; V42-V50 HydrophobicContact CG1-CB 4.46Å; V42-V50 HydrophobicContact CG1-CG1 4.12Å; V42-V50 HydrophobicContact CG1-CG2 4.04Å; V42-L118 HydrophobicContact CG1-CD2 3.56Å; V42-Y122 HydrophobicContact CG1-CD2 4.42Å; V42-Y122 HydrophobicContact CG1-CE2 4.03Å
43T87.8Confident83.7Confident21 Ų2150.6 Ų50.613%0.12925%0.251CS..EExtended strand (participates in β ladder)trans-69.9144.7172.557.20000110.5D17 E18 E45 Q49D17-T43 CarbonylContact O-C 3.15Å; D17-T43 WeakPolarHBondContact O-CA 3.37Å; E18-T43 HydrophobicContact CG-CG2 4.02Å; T43-E45 VanDerWaalsContact C-N 3.34Å; T43-E45 PolarHBondContact OG1-O 3.46Å; T43-Q49 HydrophobicContact CG2-CB 3.96Å; T43-Q49 PolarHBondContact N-O 3.45Å; T43-Q49 PolarHBondContact OG1-N 3.39Å
44T79.6Confident85.4Confident89 Ų8942.7 Ų42.755%0.54622%0.217SC..SBendtrans-79.5-19.917448.20000112.2D17D17-T44 WeakPolarHBondContact CB-OG1 3.18Å; D17-T44 PolarHBondContact O-N 3.47Å; D17-T44 PolarHBondContact O-OG1 3.3Å
45E74.6Confident86.5Confident100 Ų10036.3 Ų36.347%0.46719%0.189SC..SBendtrans-85.5146.6174.6-62.7-166.1147.500112.9T43 P47T43-E45 VanDerWaalsContact C-N 3.34Å; T43-E45 PolarHBondContact OG1-O 3.46Å; E45-P47 CarbonylContact O-C 3.59Å
46R70.4Confident87Confident118 Ų11834.2 Ų34.245%0.44518%0.176SC..SBendtrans-89.8134.6175-66.9-174.9178.8-172.81.6110.3S259R46-S259 PolarHBondContact O-OG 2.97Å
47P74.3Confident86.6Confident107 Ų10738.1 Ų38.170%0.69519%0.192SC*.SBendcis-74.8137.55.429.7-34.6000112.9E45 Q49E45-P47 CarbonylContact O-C 3.59Å; P47-Q49 PolarHBondContact O-N 2.82Å; P47-Q49 VanDerWaalsContact O-N 3.15Å
48V80.7Confident85.9Confident55 Ų5539 Ų3933%0.33320%0.201SC..PPolyproline II helixtrans-63.9116.2-178.2-1790000109.8V42 Y122V42-V48 HydrophobicContact CB-CG1 4.07Å; V42-V48 HydrophobicContact CG1-CG1 4.43Å; V48-Y122 HydrophobicContact CB-CD1 3.96Å; V48-Y122 HydrophobicContact CB-CE1 4.04Å; V48-Y122 HydrophobicContact CG1-CD1 3.66Å; V48-Y122 HydrophobicContact CG1-CE1 3.58Å; V48-Y122 HydrophobicContact CG1-CG 4.29Å; V48-Y122 HydrophobicContact CG2-CE1 4.2Å
49Q84.4Confident84.7Confident74 Ų7445.1 Ų45.135%0.34623%0.233SC..PPolyproline II helixtrans-100.2129.6173.9-63.5-178-6.500109.6V42 T43 P47V42-Q49 WeakPolarHBondContact CA-O 3.06Å; T43-Q49 HydrophobicContact CG2-CB 3.96Å; T43-Q49 PolarHBondContact N-O 3.45Å; T43-Q49 PolarHBondContact OG1-N 3.39Å; P47-Q49 PolarHBondContact O-N 2.82Å; P47-Q49 VanDerWaalsContact O-N 3.15Å
50V90.3Very high82.8Confident13 Ų1354.4 Ų54.48%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-101.6128.4175.3-166.10000109.7T41 V42 L72 L118 Y122T41-V50 WeakPolarHBondContact O-CA 3.46Å; V42-V50 HydrophobicContact CG1-CB 4.46Å; V42-V50 HydrophobicContact CG1-CG1 4.12Å; V42-V50 HydrophobicContact CG1-CG2 4.04Å; V50-L72 HydrophobicContact CB-CB 3.91Å; V50-L72 HydrophobicContact CB-CD2 4.01Å; V50-L72 HydrophobicContact CG1-CB 3.94Å; V50-L72 HydrophobicContact CG1-CD2 3.48Å; V50-L72 VanDerWaalsContact CG1-CD2 3.48Å; V50-L72 HydrophobicContact CG1-CG 4.33Å; V50-L72 WeakPolarHBondContact O-CB 3.46Å; V50-L72 PolarHBondContact O-N 2.97Å; V50-L118 HydrophobicContact CG1-CB 4.1Å; V50-L118 HydrophobicContact CG1-CD1 3.89Å; V50-L118 HydrophobicContact CG1-CD2 3.88Å; V50-L118 HydrophobicContact CG1-CG 4.18Å; V50-L118 HydrophobicContact CG2-CD2 4.5Å; V50-Y122 HydrophobicContact CG2-CD2 3.77Å; V50-Y122 HydrophobicContact CG2-CG 3.78Å
51K91.4Very high81.3Confident28 Ų2856 Ų5612%0.12229%0.29CS..EExtended strand (participates in β ladder)trans-131.3149.4-175.4-62.1175.3-176170.30111.3E18 A40 T41 V53 M69 W70E18-K51 IonicContact OE1-NZ 2.75Å; E18-K51 PolarHBondContact OE1-NZ 3.31Å; A40-K51 WeakPolarHBondContact CA-O 3.3Å; T41-K51 PolarHBondContact N-O 3.18Å; T41-K51 PolarHBondContact O-N 3.09Å; K51-V53 HydrophobicContact CB-CG2 4.36Å; K51-M69 HydrophobicContact CD-CE 4.04Å; K51-M69 HydrophobicContact CD-CG 4.19Å; K51-M69 HydrophobicContact CD-SD 3.7Å; K51-W70 CarbonylContact C-O 3.53Å; K51-W70 VanDerWaalsContact CA-O 3.32Å; K51-W70 WeakPolarHBondContact CA-O 3.45Å
52V92.1Very high80Confident2 Ų262.5 Ų62.51%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-109.1118.3167.4-178.70000107.5C39 W70 L72 F111C39-V52 CarbonylContact O-C 3.52Å; C39-V52 WeakPolarHBondContact O-CA 3.3Å; V52-W70 HydrophobicContact CB-CE3 4.4Å; V52-W70 HydrophobicContact CG1-CE3 4.18Å; V52-W70 PolarHBondContact N-O 3.22Å; V52-W70 PolarHBondContact O-N 3.09Å; V52-L72 HydrophobicContact CG2-CD1 4.02Å; V52-F111 HydrophobicContact CG1-CZ 4.33Å
53V91.3Very high79.2Confident0 Ų067.2 Ų67.20%035%0.345CS..EExtended strand (participates in β ladder)trans-116.1126.3-175.5-174.80000109.8F13 C39 K51 V55 R66 Q68 M69F13-V53 HydrophobicContact CE1-CB 4.08Å; F13-V53 HydrophobicContact CE1-CG1 4.26Å; F13-V53 HydrophobicContact CE1-CG2 4.14Å; F13-V53 HydrophobicContact CZ-CB 4.31Å; F13-V53 HydrophobicContact CZ-CG1 4.48Å; C39-V53 HydrophobicContact CB-CB 4.48Å; C39-V53 WeakPolarHBondContact CB-O 3.38Å; C39-V53 PolarHBondContact N-O 2.64Å; C39-V53 PolarHBondContact O-N 3.26Å; K51-V53 HydrophobicContact CB-CG2 4.36Å; V53-V55 HydrophobicContact CG1-CG2 4.09Å; V53-R66 HydrophobicContact CG1-CB 4.31Å; V53-R66 HydrophobicContact CG1-CG 4.06Å; V53-Q68 CarbonylContact C-O 3.53Å; V53-Q68 WeakPolarHBondContact CA-O 3.47Å; V53-M69 HydrophobicContact CG2-CB 4.41Å; V53-M69 HydrophobicContact CG2-CE 3.84Å; V53-M69 HydrophobicContact CG2-CG 4.13Å
54K91.9Very high79.1Confident26 Ų2668.2 Ų68.211%0.11335%0.347CS..EExtended strand (participates in β ladder)trans-86.2122.4170.1-170.7-174-176.9-163.50110.2C36 F37 L38 Q67 Q68 W70 W100C36-K54 HydrophobicContact CB-CG 4.48Å; C36-K54 WeakPolarHBondContact SG-CE 3.44Å; F37-K54 CarbonylContact O-C 3.58Å; F37-K54 WeakPolarHBondContact O-CA 3.11Å; L38-K54 HydrophobicContact CD2-CB 3.93Å; L38-K54 HydrophobicContact CD2-CG 4.07Å; K54-Q67 PolarHBondContact O-N 3.13Å; K54-Q68 HydrophobicContact CB-CB 4.14Å; K54-Q68 PolarHBondContact N-O 2.86Å; K54-Q68 PolarHBondContact O-N 2.59Å; K54-W70 HydrophobicContact CB-CH2 3.99Å; K54-W70 HydrophobicContact CB-CZ3 3.81Å; K54-W70 HydrophobicContact CD-CH2 4.32Å; K54-W100 HydrophobicContact CD-CH2 3.93Å
55V89.9Confident79.4Confident0 Ų071.1 Ų71.10%035%0.352CS..EExtended strand (participates in β ladder)trans-117.1138.3179.4179.90000109.7L8 I12 F13 F37 V53 Y64L8-V55 HydrophobicContact CD2-CG1 3.79Å; I12-V55 HydrophobicContact CD1-CG1 3.58Å; I12-V55 HydrophobicContact CD1-CG2 4.24Å; F13-V55 HydrophobicContact CZ-CG2 4.03Å; F37-V55 HydrophobicContact CB-CB 4.46Å; F37-V55 PolarHBondContact N-O 2.8Å; F37-V55 PolarHBondContact O-N 2.8Å; V53-V55 HydrophobicContact CG1-CG2 4.09Å; V55-Y64 HydrophobicContact CG1-CD1 4.14Å; V55-Y64 HydrophobicContact CG1-CG 4.36Å
56K88.1Confident80.1Confident49 Ų4969.1 Ų69.121%0.21334%0.34CS..EExtended strand (participates in β ladder)trans-127.7141.8175-163.8-170.7167-145.30110.2C36 D59 K65C36-K56 HydrophobicContact CB-CG 4.48Å; K56-D59 IonicContact NZ-OD1 3.98Å; K56-D59 IonicContact NZ-OD2 2.73Å; K56-K65 PolarHBondContact N-O 3.38Å; K56-K65 PolarHBondContact O-N 3.06Å
57K81.6Confident80.9Confident88 Ų8868.9 Ų68.938%0.38334%0.344SS..EExtended strand (participates in β ladder)trans-68.7134.8170-165.6174.5-179178.10109.6D62 Y64K57-D62 WeakPolarHBondContact CE-OD1 3.27Å; K57-D62 IonicContact NZ-OD1 2.69Å; K57-D62 PolarHBondContact NZ-OD1 3.04Å; K57-Y64 HydrophobicContact CB-CD1 4.1Å; K57-Y64 HydrophobicContact CB-CE1 4.01Å; K57-Y64 HydrophobicContact CD-CE1 4.47Å; K57-Y64 HydrophobicContact CG-CD1 4.46Å; K57-Y64 HydrophobicContact CG-CE1 4.23Å
58S75.4Confident81.5Confident38 Ų3867.3 Ų67.327%0.26633%0.327SS..  trans-70.9144.6178.1-173.50000111.1K60 F63S58-K60 PolarHBondContact O-N 3.17Å; S58-F63 WeakPolarHBondContact CB-O 3.26Å; S58-F63 PolarHBondContact N-O 3.2Å; S58-F63 WeakPolarHBondContact OG-CE2 3.46Å; S58-F63 WeakPolarHBondContact OG-CZ 3.47Å
59D66.1Low82Confident128 Ų12868.6 Ų68.668%0.68433%0.33SS*.THydrogen-bonded Turntrans-76.8-10.4179.2-61.5-30.3000111.9K56K56-D59 IonicContact NZ-OD1 3.98Å; K56-D59 IonicContact NZ-OD2 2.73Å
60K54.4Low82.4Confident196 Ų19666.2 Ų66.285%0.85232%0.318SS*.THydrogen-bonded Turntrans-116.726.8-175.9-67.4-168.7176.3-173.90114.7S58S58-K60 PolarHBondContact O-N 3.17Å
61G59Low82.3Confident34 Ų3468.1 Ų68.135%0.35133%0.326SS..SBendtrans158.6171.6175.400000113.3F63G61-F63 PolarHBondContact O-N 3.34Å
62D65.5Low82.1Confident136 Ų13666.8 Ų66.873%0.72732%0.321SS*.SBendtrans-80.425.4-174.6-118.25.8000114.3K57K57-D62 WeakPolarHBondContact CE-OD1 3.27Å; K57-D62 IonicContact NZ-OD1 2.69Å; K57-D62 PolarHBondContact NZ-OD1 3.04Å
63F75.3Confident81.7Confident109 Ų10972.6 Ų72.648%0.47834%0.342SS..  trans-105.5147.4-17961.8-87.6000112.1S58 G61S58-F63 WeakPolarHBondContact CB-O 3.26Å; S58-F63 PolarHBondContact N-O 3.2Å; S58-F63 WeakPolarHBondContact OG-CE2 3.46Å; S58-F63 WeakPolarHBondContact OG-CZ 3.47Å; G61-F63 PolarHBondContact O-N 3.34Å
64Y85Confident81.5Confident43 Ų4376.6 Ų76.617%0.16936%0.364CS..EExtended strand (participates in β ladder)trans-98146.9178.1-65.1-87.4000110.3L8 F37 V55 K57L8-Y64 VanDerWaalsContact CD2-CB 3.49Å; L8-Y64 HydrophobicContact CD2-CD1 3.79Å; L8-Y64 HydrophobicContact CD2-CD2 3.72Å; L8-Y64 HydrophobicContact CD2-CE1 4.44Å; L8-Y64 HydrophobicContact CD2-CE2 4.38Å; L8-Y64 HydrophobicContact CD2-CG 3.39Å; F37-Y64 HydrophobicContact CD2-CE1 4.17Å; F37-Y64 AromaticContact CE2-CE1 3.83Å; F37-Y64 HydrophobicContact CE2-CE1 3.83Å; V55-Y64 HydrophobicContact CG1-CD1 4.14Å; V55-Y64 HydrophobicContact CG1-CG 4.36Å; K57-Y64 HydrophobicContact CB-CD1 4.1Å; K57-Y64 HydrophobicContact CB-CE1 4.01Å; K57-Y64 HydrophobicContact CD-CE1 4.47Å; K57-Y64 HydrophobicContact CG-CD1 4.46Å; K57-Y64 HydrophobicContact CG-CE1 4.23Å
65K85.9Confident81.3Confident150 Ų15075.3 Ų75.365%0.65236%0.358SS*.EExtended strand (participates in β ladder)trans-130.8138.2176.6-171.2175.6178.7176.20111.3K56 Q67K56-K65 PolarHBondContact N-O 3.38Å; K56-K65 PolarHBondContact O-N 3.06Å; K65-Q67 PolarHBondContact O-N 2.85Å
66R89.3Confident81Confident58 Ų5878.4 Ų78.422%0.21938%0.377CS..EExtended strand (participates in β ladder)trans-64.9125170.1-61.2-177.2-178-143.3-10.9109.1I12 N16 E18 V53I12-R66 HydrophobicContact CG2-CG 3.51Å; I12-R66 PolarHBondContact O-NH2 3.09Å; N16-R66 VanDerWaalsContact ND2-CZ 3.32Å; N16-R66 PolarHBondContact ND2-NH2 3.03Å; N16-R66 VanDerWaalsContact ND2-NH2 3.18Å; E18-R66 IonicContact OE1-NH1 2.82Å; E18-R66 IonicContact OE2-CZ 3.44Å; E18-R66 IonicContact OE2-NH1 3.23Å; E18-R66 PolarHBondContact OE2-NH1 2.82Å; E18-R66 IonicContact OE2-NH2 2.73Å; E18-R66 PolarHBondContact OE2-NH2 2.81Å; V53-R66 HydrophobicContact CG1-CB 4.31Å; V53-R66 HydrophobicContact CG1-CG 4.06Å
67Q87.3Confident81Confident113 Ų11377.3 Ų77.353%0.52838%0.375SS..EExtended strand (participates in β ladder)trans-102.4-44.4178.7-174.5176.441.800111.9K54 K65K54-Q67 PolarHBondContact O-N 3.13Å; K65-Q67 PolarHBondContact O-N 2.85Å
68Q87.6Confident81.3Confident73 Ų7373.1 Ų73.134%0.34136%0.356SS..EExtended strand (participates in β ladder)trans-150.3149.9-175.8-160.6168.7-3.500109.5V53 K54 W70 Y98V53-Q68 CarbonylContact C-O 3.53Å; V53-Q68 WeakPolarHBondContact CA-O 3.47Å; K54-Q68 HydrophobicContact CB-CB 4.14Å; K54-Q68 PolarHBondContact N-O 2.86Å; K54-Q68 PolarHBondContact O-N 2.59Å; Q68-W70 HydrophobicContact CB-CH2 4.01Å; Q68-W70 HydrophobicContact CB-CZ2 4.09Å; Q68-W70 HydrophobicContact CB-CZ3 4.48Å; Q68-W70 HydrophobicContact CG-CD2 4.47Å; Q68-W70 HydrophobicContact CG-CH2 4.03Å; Q68-W70 HydrophobicContact CG-CZ2 3.58Å; Q68-W70 VanDerWaalsContact NE2-CZ2 3.35Å; Q68-W70 VanDerWaalsContact OE1-CZ2 3.28Å; Q68-Y98 PolarHBondContact NE2-OH 3.19Å
69M90.6Very high81.9Confident82 Ų8272.3 Ų72.340%0.40435%0.349SS..EExtended strand (participates in β ladder)trans-137.1136.3-178.1172.9-177.5-7800108.2K51 V53K51-M69 HydrophobicContact CD-CE 4.04Å; K51-M69 HydrophobicContact CD-CG 4.19Å; K51-M69 HydrophobicContact CD-SD 3.7Å; V53-M69 HydrophobicContact CG2-CB 4.41Å; V53-M69 HydrophobicContact CG2-CE 3.84Å; V53-M69 HydrophobicContact CG2-CG 4.13Å
70W92.1Very high82.8Confident24 Ų2466.3 Ų66.39%0.09132%0.317CS..EExtended strand (participates in β ladder)trans-128.4141.8174.7-56.7-82.9000108.9L38 K51 V52 K54 Q68 F94 Y98 W100L38-W70 HydrophobicContact CD2-CH2 4.5Å; L38-W70 HydrophobicContact CD2-CZ3 3.91Å; K51-W70 CarbonylContact C-O 3.53Å; K51-W70 VanDerWaalsContact CA-O 3.32Å; K51-W70 WeakPolarHBondContact CA-O 3.45Å; V52-W70 HydrophobicContact CB-CE3 4.4Å; V52-W70 HydrophobicContact CG1-CE3 4.18Å; V52-W70 PolarHBondContact N-O 3.22Å; V52-W70 PolarHBondContact O-N 3.09Å; K54-W70 HydrophobicContact CB-CH2 3.99Å; K54-W70 HydrophobicContact CB-CZ3 3.81Å; K54-W70 HydrophobicContact CD-CH2 4.32Å; Q68-W70 HydrophobicContact CB-CH2 4.01Å; Q68-W70 HydrophobicContact CB-CZ2 4.09Å; Q68-W70 HydrophobicContact CB-CZ3 4.48Å; Q68-W70 HydrophobicContact CG-CD2 4.47Å; Q68-W70 HydrophobicContact CG-CH2 4.03Å; Q68-W70 HydrophobicContact CG-CZ2 3.58Å; Q68-W70 VanDerWaalsContact NE2-CZ2 3.35Å; Q68-W70 VanDerWaalsContact OE1-CZ2 3.28Å; W70-F94 HydrophobicContact CB-CD1 4.04Å; W70-F94 HydrophobicContact CB-CE1 3.57Å; W70-F94 HydrophobicContact CB-CE2 4.13Å; W70-F94 HydrophobicContact CB-CZ 3.62Å; W70-F94 HydrophobicContact CD2-CE2 4.27Å; W70-F94 HydrophobicContact CG-CD1 4.41Å; W70-F94 HydrophobicContact CG-CD2 4.23Å; W70-F94 HydrophobicContact CG-CE1 4.24Å; W70-F94 HydrophobicContact CG-CE2 4.04Å; W70-F94 HydrophobicContact CG-CG 4.4Å; W70-F94 HydrophobicContact CG-CZ 4.05Å; W70-Y98 AromaticContact CE2-CZ 4Å; W70-Y98 HydrophobicContact CZ2-CD1 4.13Å; W70-Y98 AromaticContact CZ2-CE1 3.75Å; W70-Y98 HydrophobicContact CZ2-CE1 3.75Å; W70-Y98 HydrophobicContact CZ2-CE2 4.19Å; W70-Y98 HydrophobicContact CZ2-CG 4.49Å; W70-Y98 AromaticContact CZ2-CZ 3.79Å; W70-Y98 AromaticContact NE1-CE2 3.69Å; W70-Y98 AromaticContact NE1-CZ 3.68Å; W70-W100 HydrophobicContact CH2-CZ2 4.13Å
71E89.3Confident84.1Confident53 Ų5360.1 Ų60.125%0.24829%0.29CS..EExtended strand (participates in β ladder)trans-83.8137.2172.7-58.7-176.714100109.2R73 D74E71-R73 HydrophobicContact CB-CG 3.89Å; E71-R73 PolarHBondContact O-N 3.2Å; E71-R73 IonicContact OE1-CZ 2.69Å; E71-R73 IonicContact OE1-NH2 3.76Å; E71-R73 PolarHBondContact OE1-NH2 3.18Å; E71-R73 IonicContact OE2-CZ 2.67Å; E71-R73 IonicContact OE2-NE 2.65Å; E71-R73 PolarHBondContact OE2-NE 3.25Å; E71-R73 IonicContact OE2-NH2 2.89Å; E71-R73 PolarHBondContact OE2-NH2 3.04Å; E71-D74 PolarHBondContact O-N 3.33Å; E71-D74 VanDerWaalsContact O-N 3.13Å
72L86.8Confident84.9Confident1 Ų161.3 Ų61.31%0.00529%0.288CS..G310 helixtrans-65.8-23.8-175.2-170.566.6000112V50 V52 D74 L75 I115 L118 L123V50-L72 HydrophobicContact CB-CB 3.91Å; V50-L72 HydrophobicContact CB-CD2 4.01Å; V50-L72 HydrophobicContact CG1-CB 3.94Å; V50-L72 HydrophobicContact CG1-CD2 3.48Å; V50-L72 VanDerWaalsContact CG1-CD2 3.48Å; V50-L72 HydrophobicContact CG1-CG 4.33Å; V50-L72 WeakPolarHBondContact O-CB 3.46Å; V50-L72 PolarHBondContact O-N 2.97Å; V52-L72 HydrophobicContact CG2-CD1 4.02Å; L72-D74 PolarHBondContact O-N 2.93Å; L72-L75 HydrophobicContact CD1-CB 4.34Å; L72-L75 HydrophobicContact CD1-CD2 3.64Å; L72-L75 VanDerWaalsContact O-CB 3.3Å; L72-L75 WeakPolarHBondContact O-CB 3.25Å; L72-L75 PolarHBondContact O-N 3.35Å; L72-I115 HydrophobicContact CD1-CG2 4.04Å; L72-L118 HydrophobicContact CD2-CB 3.82Å; L72-L123 HydrophobicContact CB-CD1 3.91Å; L72-L123 HydrophobicContact CD2-CD1 3.68Å; L72-L123 HydrophobicContact CG-CD1 3.58Å
73R83.4Confident85Confident124 Ų12457.1 Ų57.147%0.46827%0.273SS..G310 helixtrans-61.3-2717559177.2166.2-150.8-1.4114.1E71 L75 L123 K125E71-R73 HydrophobicContact CB-CG 3.89Å; E71-R73 PolarHBondContact O-N 3.2Å; E71-R73 IonicContact OE1-CZ 2.69Å; E71-R73 IonicContact OE1-NH2 3.76Å; E71-R73 PolarHBondContact OE1-NH2 3.18Å; E71-R73 IonicContact OE2-CZ 2.67Å; E71-R73 IonicContact OE2-NE 2.65Å; E71-R73 PolarHBondContact OE2-NE 3.25Å; E71-R73 IonicContact OE2-NH2 2.89Å; E71-R73 PolarHBondContact OE2-NH2 3.04Å; R73-L75 VanDerWaalsContact C-N 3.34Å; R73-L123 HydrophobicContact CB-CD2 3.74Å; R73-K125 PolarHBondContact O-NZ 3.19Å
74D87.8Confident84.5Confident83 Ų8357.4 Ų57.444%0.44429%0.288SS..G310 helixtrans-86.7-10.6-178.4-58.1-28.1000112.4E71 L72 F94E71-D74 PolarHBondContact O-N 3.33Å; E71-D74 VanDerWaalsContact O-N 3.13Å; L72-D74 PolarHBondContact O-N 2.93Å; D74-F94 HydrophobicContact CB-CD1 4.11Å
75L86.5Confident83.9Confident0 Ų062.5 Ų62.50%031%0.311CS..  trans-67.2140.2171.6-167.666.1000108.3L72 R73 V78 L92 H93 F94 I115 K125 L127L72-L75 HydrophobicContact CD1-CB 4.34Å; L72-L75 HydrophobicContact CD1-CD2 3.64Å; L72-L75 VanDerWaalsContact O-CB 3.3Å; L72-L75 WeakPolarHBondContact O-CB 3.25Å; L72-L75 PolarHBondContact O-N 3.35Å; R73-L75 VanDerWaalsContact C-N 3.34Å; L75-V78 HydrophobicContact CD2-CG2 3.64Å; L75-V78 HydrophobicContact CG-CG2 4.25Å; L75-L92 HydrophobicContact CD1-CB 4Å; L75-L92 HydrophobicContact CD1-CD2 4.3Å; L75-H93 WeakPolarHBondContact CD1-O 3.24Å; L75-F94 HydrophobicContact CB-CD1 4.03Å; L75-F94 HydrophobicContact CB-CE1 3.63Å; L75-F94 HydrophobicContact CB-CZ 4.19Å; L75-F94 HydrophobicContact CD1-CD1 4.12Å; L75-F94 HydrophobicContact CD1-CD2 4.03Å; L75-F94 HydrophobicContact CD1-CE1 3.83Å; L75-F94 HydrophobicContact CD1-CE2 3.74Å; L75-F94 HydrophobicContact CD1-CG 4.23Å; L75-F94 HydrophobicContact CD1-CZ 3.63Å; L75-F94 HydrophobicContact CG-CE1 4.26Å; L75-F94 HydrophobicContact CG-CZ 4.36Å; L75-I115 HydrophobicContact CD2-CG2 4.07Å; L75-K125 PolarHBondContact O-NZ 3.2Å; L75-K125 VanDerWaalsContact O-NZ 3.13Å; L75-L127 HydrophobicContact CB-CD2 3.85Å; L75-L127 HydrophobicContact CD2-CD1 4.24Å; L75-L127 HydrophobicContact CD2-CD2 4.34Å; L75-L127 HydrophobicContact CG-CD2 3.94Å; L75-L127 WeakPolarHBondContact O-CD2 3.39Å
76T85.1Confident83.3Confident64 Ų6463.4 Ų63.439%0.39332%0.318SS..  trans-118.5-46.3178.654.10000111.2H93 E128T76-H93 PolarHBondContact N-O 3.32Å; T76-H93 PolarHBondContact OG1-O 2.94Å; T76-H93 VanDerWaalsContact OG1-O 3.04Å; T76-E128 PolarHBondContact O-N 2.97Å
77V87.7Confident82.9Confident27 Ų2762.8 Ų62.816%0.16432%0.319CS..EExtended strand (participates in β ladder)trans-134.2137.9-176.6-174.40000111H93 E128 V130V77-H93 HydrophobicContact CB-CB 3.86Å; V77-H93 WeakPolarHBondContact O-CB 3.24Å; V77-H93 PolarHBondContact O-N 3.45Å; V77-E128 WeakPolarHBondContact CA-O 3.37Å; V77-E128 HydrophobicContact CG2-CB 4.37Å; V77-V130 HydrophobicContact CG1-CB 4.32Å; V77-V130 HydrophobicContact CG1-CG2 3.7Å
78V87.8Confident82.7Confident0 Ų059.2 Ų59.20%031%0.306CS..EExtended strand (participates in β ladder)trans-114.5110.9166.9-1800000108L75 L92 I112 I115 E128 F129 V130L75-V78 HydrophobicContact CD2-CG2 3.64Å; L75-V78 HydrophobicContact CG-CG2 4.25Å; V78-L92 HydrophobicContact CB-CD2 4.49Å; V78-L92 HydrophobicContact CG1-CD2 4.1Å; V78-L92 HydrophobicContact CG2-CD2 3.98Å; V78-I112 HydrophobicContact CG1-CD1 4.41Å; V78-I112 HydrophobicContact CG1-CG1 4.26Å; V78-I112 HydrophobicContact CG1-CG2 4.24Å; V78-I115 HydrophobicContact CG2-CG2 4.33Å; V78-E128 PolarHBondContact N-O 2.92Å; V78-F129 HydrophobicContact CB-CD1 3.84Å; V78-F129 HydrophobicContact CB-CE1 3.95Å; V78-F129 HydrophobicContact CG1-CD1 4.11Å; V78-F129 HydrophobicContact CG1-CE1 4.18Å; V78-F129 HydrophobicContact CG2-CD1 4.37Å; V78-F129 HydrophobicContact CG2-CE1 4Å; V78-F129 HydrophobicContact CG2-CZ 4.39Å; V78-F129 WeakPolarHBondContact O-CA 3.49Å; V78-V130 PolarHBondContact O-N 3.48Å
79D88.3Confident82.7Confident21 Ų2159.5 Ų59.511%0.11231%0.307CS..EExtended strand (participates in β ladder)trans-106.5112.9-179.8173.720.8000110.2K81 F90 D91 V130 N131D79-K81 VanDerWaalsContact C-N 3.26Å; D79-K81 PolarHBondContact O-N 2.88Å; D79-K81 WeakPolarHBondContact OD1-CA 3.3Å; D79-K81 PolarHBondContact OD1-N 3.02Å; D79-K81 IonicContact OD2-NZ 2.76Å; D79-K81 PolarHBondContact OD2-NZ 3.39Å; D79-F90 CarbonylContact O-C 3.56Å; D79-F90 VanDerWaalsContact O-CA 3.29Å; D79-F90 WeakPolarHBondContact O-CA 3.43Å; D79-D91 HydrophobicContact CB-CB 4.33Å; D79-D91 PolarHBondContact N-O 3.3Å; D79-D91 PolarHBondContact O-N 2.93Å; D79-V130 WeakPolarHBondContact CA-O 3.45Å; D79-V130 HydrophobicContact CB-CB 4.49Å; D79-N131 PolarHBondContact OD1-ND2 3.37Å
80A83.6Confident82.6Confident2 Ų255.6 Ų55.62%0.01729%0.288CS..  trans-87.810.5178.300000114.1D82 K108 I112 V130 N131 V132A80-D82 PolarHBondContact O-N 3.12Å; A80-K108 PolarHBondContact O-NZ 3.24Å; A80-K108 VanDerWaalsContact O-NZ 3.1Å; A80-I112 HydrophobicContact CB-CD1 3.88Å; A80-V130 PolarHBondContact N-O 3.2Å; A80-N131 WeakPolarHBondContact CB-O 3.33Å; A80-V132 HydrophobicContact CB-CB 4.4Å; A80-V132 HydrophobicContact CB-CG2 3.7Å
81K82.8Confident82.6Confident66 Ų6654.7 Ų54.729%0.28729%0.285SS..SBendtrans68.6-47.1177.5-62.2-67.1172.6-148.60116.4D79 E89 D91D79-K81 VanDerWaalsContact C-N 3.26Å; D79-K81 PolarHBondContact O-N 2.88Å; D79-K81 WeakPolarHBondContact OD1-CA 3.3Å; D79-K81 PolarHBondContact OD1-N 3.02Å; D79-K81 IonicContact OD2-NZ 2.76Å; D79-K81 PolarHBondContact OD2-NZ 3.39Å; K81-E89 HydrophobicContact CG-CB 4.25Å; K81-D91 WeakPolarHBondContact CE-OD1 3.29Å; K81-D91 WeakPolarHBondContact CE-OD2 3.36Å; K81-D91 IonicContact NZ-OD1 2.58Å; K81-D91 IonicContact NZ-OD2 3.67Å; K81-D91 PolarHBondContact NZ-OD2 3.38Å
82D75.3Confident82.6Confident58 Ų5852.2 Ų52.231%0.3127%0.273SS..  trans-148126.7180-164.4-40.5000109.7A80 S84 K85 N131A80-D82 PolarHBondContact O-N 3.12Å; D82-S84 PolarHBondContact OD1-N 2.92Å; D82-S84 PolarHBondContact OD1-OG 2.92Å; D82-K85 HydrophobicContact CB-CB 4.14Å; D82-K85 VanDerWaalsContact CG-CB 3.47Å; D82-K85 PolarHBondContact OD1-N 3.16Å; D82-K85 VanDerWaalsContact OD2-CB 3.29Å; D82-K85 WeakPolarHBondContact OD2-CB 3.41Å; D82-N131 CarbonylContact C-O 3.49Å; D82-N131 VanDerWaalsContact C-O 3.25Å
83A67.3Low82.7Confident49 Ų4954.4 Ų54.441%0.40528%0.283SS..SBendtrans-80.8-18.4-178.400000113.1N131A83-N131 WeakPolarHBondContact CA-O 3.26Å; A83-N131 PolarHBondContact N-O 2.91Å
84S64.8Low82.9Confident114 Ų11449.5 Ų49.580%0.79727%0.265SS*.SBendtrans-113-28.1-171.265.30000113.6D82D82-S84 PolarHBondContact OD1-N 2.92Å; D82-S84 PolarHBondContact OD1-OG 2.92Å
85K73.3Confident82.7Confident151 Ų15154.9 Ų54.966%0.65729%0.288SS*.SBendtrans-102.8133.4-177.7-164175.1-178.5176.50111.3D82 N87D82-K85 HydrophobicContact CB-CB 4.14Å; D82-K85 VanDerWaalsContact CG-CB 3.47Å; D82-K85 PolarHBondContact OD1-N 3.16Å; D82-K85 VanDerWaalsContact OD2-CB 3.29Å; D82-K85 WeakPolarHBondContact OD2-CB 3.41Å; K85-N87 PolarHBondContact O-N 3.48Å
86E73.5Confident82.7Confident169 Ų16961.9 Ų61.979%0.7932%0.318SS*.  trans-64.5100174.8-68.8-167.6167.200111.2T105E86-T105 HydrophobicContact CB-CG2 4.2Å; E86-T105 HydrophobicContact CG-CG2 4.42Å
87N80Confident82.7Confident44 Ų4462.5 Ų62.524%0.23532%0.322CS..  trans-124.5124.3176.1-173.2-4.9000110K85 E89 K108K85-N87 PolarHBondContact O-N 3.48Å; N87-E89 PolarHBondContact O-N 3.3Å; N87-E89 WeakPolarHBondContact OD1-CB 3.41Å; N87-E89 PolarHBondContact OD1-N 2.98Å; N87-K108 WeakPolarHBondContact O-CD 3.4Å; N87-K108 VanDerWaalsContact O-CE 3.29Å; N87-K108 WeakPolarHBondContact O-CE 3.45Å; N87-K108 PolarHBondContact O-NZ 2.93Å
88P82.4Confident82.7Confident39 Ų3963.5 Ų63.525%0.25332%0.323SS..  trans-74.7-3.3175.929.1-34.4000114.3L101 A102P88-L101 HydrophobicContact CB-CD1 4.37Å; P88-L101 HydrophobicContact CG-CD1 3.89Å; P88-A102 HydrophobicContact CB-CB 4.42Å; P88-A102 WeakPolarHBondContact O-CB 3.37Å; P88-A102 PolarHBondContact O-N 3.45Å
89E87.6Confident82.8Confident78 Ų7869 Ų6936%0.36435%0.347SS..EExtended strand (participates in β ladder)trans-82142.3177.2-64.8-174.1169.200113.3K81 N87 W100 L101K81-E89 HydrophobicContact CG-CB 4.25Å; N87-E89 PolarHBondContact O-N 3.3Å; N87-E89 WeakPolarHBondContact OD1-CB 3.41Å; N87-E89 PolarHBondContact OD1-N 2.98Å; E89-W100 CarbonylContact C-O 3.49Å; E89-W100 VanDerWaalsContact CA-O 3.3Å; E89-W100 WeakPolarHBondContact CA-O 3.36Å; E89-L101 HydrophobicContact CG-CB 4.47Å; E89-L101 HydrophobicContact CG-CD1 3.33Å
90F89.9Confident82.9Confident0 Ų068.3 Ų68.30%034%0.343CS..EExtended strand (participates in β ladder)trans-154151.8172.266.7-75.3000111.5V24 V26 L38 D79 L92 W100 A102 K108 F111 I112V24-F90 HydrophobicContact CG1-CZ 4.37Å; V26-F90 HydrophobicContact CG1-CE1 3.87Å; V26-F90 HydrophobicContact CG1-CZ 3.9Å; L38-F90 HydrophobicContact CD1-CE2 4.46Å; L38-F90 HydrophobicContact CD1-CZ 4.13Å; D79-F90 CarbonylContact O-C 3.56Å; D79-F90 VanDerWaalsContact O-CA 3.29Å; D79-F90 WeakPolarHBondContact O-CA 3.43Å; F90-L92 HydrophobicContact CD2-CD2 4.15Å; F90-L92 HydrophobicContact CD2-CG 4.12Å; F90-L92 HydrophobicContact CE2-CD1 4.1Å; F90-L92 HydrophobicContact CE2-CD2 4.23Å; F90-L92 HydrophobicContact CE2-CG 3.97Å; F90-W100 HydrophobicContact CD1-CB 4.07Å; F90-W100 HydrophobicContact CD2-CB 4.48Å; F90-W100 HydrophobicContact CE1-CB 3.65Å; F90-W100 HydrophobicContact CE2-CB 4.09Å; F90-W100 HydrophobicContact CE2-CG 4.34Å; F90-W100 HydrophobicContact CG-CB 4.48Å; F90-W100 HydrophobicContact CZ-CB 3.67Å; F90-W100 HydrophobicContact CZ-CG 4.19Å; F90-W100 PolarHBondContact N-O 3.47Å; F90-W100 PolarHBondContact O-N 2.92Å; F90-A102 HydrophobicContact CE1-CB 4.16Å; F90-K108 HydrophobicContact CB-CD 4.12Å; F90-K108 HydrophobicContact CB-CG 4.27Å; F90-K108 HydrophobicContact CD1-CD 4.11Å; F90-K108 HydrophobicContact CD1-CG 3.66Å; F90-K108 HydrophobicContact CE1-CG 4.27Å; F90-K108 HydrophobicContact CG-CD 4.47Å; F90-K108 HydrophobicContact CG-CG 4.14Å; F90-F111 HydrophobicContact CE2-CD1 4.39Å; F90-F111 HydrophobicContact CZ-CD1 4.37Å; F90-I112 HydrophobicContact CB-CD1 4.26Å
91D90.8Very high83.2Confident6 Ų671.1 Ų71.13%0.03236%0.357CS..EExtended strand (participates in β ladder)trans-116.3136.5179.4-693.4000110.7D79 K81 V97 Y98 K99D79-D91 HydrophobicContact CB-CB 4.33Å; D79-D91 PolarHBondContact N-O 3.3Å; D79-D91 PolarHBondContact O-N 2.93Å; K81-D91 WeakPolarHBondContact CE-OD1 3.29Å; K81-D91 WeakPolarHBondContact CE-OD2 3.36Å; K81-D91 IonicContact NZ-OD1 2.58Å; K81-D91 IonicContact NZ-OD2 3.67Å; K81-D91 PolarHBondContact NZ-OD2 3.38Å; D91-V97 HydrophobicContact CB-CG1 4.12Å; D91-Y98 WeakPolarHBondContact CA-O 3.28Å; D91-K99 VanDerWaalsContact OD1-CA 3.27Å; D91-K99 WeakPolarHBondContact OD1-CA 3.37Å; D91-K99 VanDerWaalsContact OD1-CB 3.29Å; D91-K99 WeakPolarHBondContact OD1-CB 3.07Å; D91-K99 VanDerWaalsContact OD1-CG 3.31Å; D91-K99 WeakPolarHBondContact OD1-CG 3.49Å; D91-K99 WeakPolarHBondContact OD2-CE 3.36Å
92L90.4Very high83.4Confident1 Ų168.3 Ų68.31%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-111.6121.3173.1-62.1180000109.7L38 L75 V78 F90 F94 Y98 I115L38-L92 HydrophobicContact CD1-CD1 4.44Å; L75-L92 HydrophobicContact CD1-CB 4Å; L75-L92 HydrophobicContact CD1-CD2 4.3Å; V78-L92 HydrophobicContact CB-CD2 4.49Å; V78-L92 HydrophobicContact CG1-CD2 4.1Å; V78-L92 HydrophobicContact CG2-CD2 3.98Å; F90-L92 HydrophobicContact CD2-CD2 4.15Å; F90-L92 HydrophobicContact CD2-CG 4.12Å; F90-L92 HydrophobicContact CE2-CD1 4.1Å; F90-L92 HydrophobicContact CE2-CD2 4.23Å; F90-L92 HydrophobicContact CE2-CG 3.97Å; L92-F94 HydrophobicContact CB-CD2 4.31Å; L92-F94 HydrophobicContact CB-CE2 3.91Å; L92-F94 HydrophobicContact CD1-CE2 4.32Å; L92-Y98 PolarHBondContact N-O 2.9Å; L92-Y98 PolarHBondContact O-N 3.22Å; L92-I115 HydrophobicContact CD2-CD1 4.36Å
93H88.2Confident83.9Confident47 Ų4768.9 Ų68.922%0.21836%0.355CS..EExtended strand (participates in β ladder)trans-100.8100.5-176.2-66.1-145000109.8L75 T76 V77L75-H93 WeakPolarHBondContact CD1-O 3.24Å; T76-H93 PolarHBondContact N-O 3.32Å; T76-H93 PolarHBondContact OG1-O 2.94Å; T76-H93 VanDerWaalsContact OG1-O 3.04Å; V77-H93 HydrophobicContact CB-CB 3.86Å; V77-H93 WeakPolarHBondContact O-CB 3.24Å; V77-H93 PolarHBondContact O-N 3.45Å
94F87.6Confident84.8Confident21 Ų2168.6 Ų68.69%0.09235%0.35CS..SBendtrans-101.2-139.4165-62.6-85.4000107.9W70 D74 L75 L92 K96 Y98W70-F94 HydrophobicContact CB-CD1 4.04Å; W70-F94 HydrophobicContact CB-CE1 3.57Å; W70-F94 HydrophobicContact CB-CE2 4.13Å; W70-F94 HydrophobicContact CB-CZ 3.62Å; W70-F94 HydrophobicContact CD2-CE2 4.27Å; W70-F94 HydrophobicContact CG-CD1 4.41Å; W70-F94 HydrophobicContact CG-CD2 4.23Å; W70-F94 HydrophobicContact CG-CE1 4.24Å; W70-F94 HydrophobicContact CG-CE2 4.04Å; W70-F94 HydrophobicContact CG-CG 4.4Å; W70-F94 HydrophobicContact CG-CZ 4.05Å; D74-F94 HydrophobicContact CB-CD1 4.11Å; L75-F94 HydrophobicContact CB-CD1 4.03Å; L75-F94 HydrophobicContact CB-CE1 3.63Å; L75-F94 HydrophobicContact CB-CZ 4.19Å; L75-F94 HydrophobicContact CD1-CD1 4.12Å; L75-F94 HydrophobicContact CD1-CD2 4.03Å; L75-F94 HydrophobicContact CD1-CE1 3.83Å; L75-F94 HydrophobicContact CD1-CE2 3.74Å; L75-F94 HydrophobicContact CD1-CG 4.23Å; L75-F94 HydrophobicContact CD1-CZ 3.63Å; L75-F94 HydrophobicContact CG-CE1 4.26Å; L75-F94 HydrophobicContact CG-CZ 4.36Å; L92-F94 HydrophobicContact CB-CD2 4.31Å; L92-F94 HydrophobicContact CB-CE2 3.91Å; L92-F94 HydrophobicContact CD1-CE2 4.32Å; F94-K96 PolarHBondContact N-O 2.67Å; F94-K96 PolarHBondContact O-N 3.43Å; F94-Y98 HydrophobicContact CB-CE2 4.48Å; F94-Y98 HydrophobicContact CD2-CD2 4.01Å; F94-Y98 HydrophobicContact CD2-CE2 4.29Å
95E84.5Confident85.7Confident196 Ų19664.5 Ų64.592%0.91632%0.32SS*.SBendtrans-59.6-27.9167.4-66.7-175.4165.100113.3
96K85.1Confident86.2Confident147 Ų14760.9 Ų60.964%0.63932%0.318SS*.SBendtrans-128.5149.5175.2-65.4-176.8-1781780109.2F94 Y98F94-K96 PolarHBondContact N-O 2.67Å; F94-K96 PolarHBondContact O-N 3.43Å; K96-Y98 HydrophobicContact CB-CE2 4.14Å; K96-Y98 WeakPolarHBondContact O-CD2 3.29Å; K96-Y98 WeakPolarHBondContact O-CE2 3.46Å; K96-Y98 PolarHBondContact O-N 3.48Å
97V86.4Confident86.8Confident77 Ų7754.9 Ų54.947%0.46729%0.29SS..EExtended strand (participates in β ladder)trans-78.8118.3176.2-177.80000109.7D91 K99D91-V97 HydrophobicContact CB-CG1 4.12Å; V97-K99 HydrophobicContact CG1-CG 4.37Å
98Y87.6Confident87.1Confident47 Ų4753 Ų5318%0.18428%0.28CS..EExtended strand (participates in β ladder)trans-104.7112.7176.3-65.8-90.3000110.5Q68 W70 D91 L92 F94 K96 W100Q68-Y98 PolarHBondContact NE2-OH 3.19Å; W70-Y98 AromaticContact CE2-CZ 4Å; W70-Y98 HydrophobicContact CZ2-CD1 4.13Å; W70-Y98 AromaticContact CZ2-CE1 3.75Å; W70-Y98 HydrophobicContact CZ2-CE1 3.75Å; W70-Y98 HydrophobicContact CZ2-CE2 4.19Å; W70-Y98 HydrophobicContact CZ2-CG 4.49Å; W70-Y98 AromaticContact CZ2-CZ 3.79Å; W70-Y98 AromaticContact NE1-CE2 3.69Å; W70-Y98 AromaticContact NE1-CZ 3.68Å; D91-Y98 WeakPolarHBondContact CA-O 3.28Å; L92-Y98 PolarHBondContact N-O 2.9Å; L92-Y98 PolarHBondContact O-N 3.22Å; F94-Y98 HydrophobicContact CB-CE2 4.48Å; F94-Y98 HydrophobicContact CD2-CD2 4.01Å; F94-Y98 HydrophobicContact CD2-CE2 4.29Å; K96-Y98 HydrophobicContact CB-CE2 4.14Å; K96-Y98 WeakPolarHBondContact O-CD2 3.29Å; K96-Y98 WeakPolarHBondContact O-CE2 3.46Å; K96-Y98 PolarHBondContact O-N 3.48Å; Y98-W100 HydrophobicContact CD1-CZ2 4.21Å; Y98-W100 HydrophobicContact CG-CZ2 4.48Å; Y98-W100 VanDerWaalsContact O-CD1 3.3Å
99K90.1Very high87.4Confident116 Ų11653.1 Ų53.150%0.50428%0.279SS..EExtended strand (participates in β ladder)trans-91.7123.7179.3-48.6-162.4173.1-179.50112A29 D91 V97A29-K99 HydrophobicContact CB-CB 3.99Å; A29-K99 PolarHBondContact N-O 3.06Å; D91-K99 VanDerWaalsContact OD1-CA 3.27Å; D91-K99 WeakPolarHBondContact OD1-CA 3.37Å; D91-K99 VanDerWaalsContact OD1-CB 3.29Å; D91-K99 WeakPolarHBondContact OD1-CB 3.07Å; D91-K99 VanDerWaalsContact OD1-CG 3.31Å; D91-K99 WeakPolarHBondContact OD1-CG 3.49Å; D91-K99 WeakPolarHBondContact OD2-CE 3.36Å; V97-K99 HydrophobicContact CG1-CG 4.37Å
100W90Very high87.3Confident6 Ų653.5 Ų53.52%0.02329%0.29CS..EExtended strand (participates in β ladder)trans-125.3143.3-174.4-59.8108.4000111.8V26 K28 L38 K54 W70 E89 F90 Y98V26-W100 HydrophobicContact CB-CB 4.31Å; V26-W100 HydrophobicContact CB-CE3 4.08Å; V26-W100 HydrophobicContact CG1-CB 4.27Å; V26-W100 HydrophobicContact CG2-CD2 4.1Å; V26-W100 HydrophobicContact CG2-CE3 3.51Å; V26-W100 HydrophobicContact CG2-CZ3 3.98Å; K28-W100 HydrophobicContact CB-CZ3 4.26Å; L38-W100 HydrophobicContact CD1-CD2 3.93Å; L38-W100 HydrophobicContact CD1-CG 3.98Å; L38-W100 HydrophobicContact CD1-CZ2 4.49Å; L38-W100 HydrophobicContact CD2-CZ2 4.19Å; K54-W100 HydrophobicContact CD-CH2 3.93Å; W70-W100 HydrophobicContact CH2-CZ2 4.13Å; E89-W100 CarbonylContact C-O 3.49Å; E89-W100 VanDerWaalsContact CA-O 3.3Å; E89-W100 WeakPolarHBondContact CA-O 3.36Å; F90-W100 HydrophobicContact CD1-CB 4.07Å; F90-W100 HydrophobicContact CD2-CB 4.48Å; F90-W100 HydrophobicContact CE1-CB 3.65Å; F90-W100 HydrophobicContact CE2-CB 4.09Å; F90-W100 HydrophobicContact CE2-CG 4.34Å; F90-W100 HydrophobicContact CG-CB 4.48Å; F90-W100 HydrophobicContact CZ-CB 3.67Å; F90-W100 HydrophobicContact CZ-CG 4.19Å; F90-W100 PolarHBondContact N-O 3.47Å; F90-W100 PolarHBondContact O-N 2.92Å; Y98-W100 HydrophobicContact CD1-CZ2 4.21Å; Y98-W100 HydrophobicContact CG-CZ2 4.48Å; Y98-W100 VanDerWaalsContact O-CD1 3.3Å
101L88.8Confident87.3Confident62 Ų6253.6 Ų53.633%0.32529%0.29SS..EExtended strand (participates in β ladder)trans-113.9111.7171.6-179.282.2000107.9V26 C27 P88 E89V26-L101 CarbonylContact C-O 3.39Å; V26-L101 WeakPolarHBondContact CA-O 3.36Å; C27-L101 HydrophobicContact CB-CB 4.47Å; C27-L101 PolarHBondContact N-O 2.8Å; C27-L101 PolarHBondContact O-N 3.36Å; P88-L101 HydrophobicContact CB-CD1 4.37Å; P88-L101 HydrophobicContact CG-CD1 3.89Å; E89-L101 HydrophobicContact CG-CB 4.47Å; E89-L101 HydrophobicContact CG-CD1 3.33Å
102A88.1Confident87.2Confident7 Ų753.3 Ų53.36%0.05829%0.289CS..EExtended strand (participates in β ladder)trans-72.6159.3176.200000112.3V24 N25 P88 F90 S104 K108V24-A102 HydrophobicContact CG2-CB 3.95Å; N25-A102 CarbonylContact O-C 3.53Å; N25-A102 WeakPolarHBondContact O-CA 3.37Å; P88-A102 HydrophobicContact CB-CB 4.42Å; P88-A102 WeakPolarHBondContact O-CB 3.37Å; P88-A102 PolarHBondContact O-N 3.45Å; F90-A102 HydrophobicContact CE1-CB 4.16Å; A102-S104 VanDerWaalsContact C-N 3.28Å; A102-S104 PolarHBondContact O-N 3.06Å; A102-K108 HydrophobicContact CB-CB 3.77Å; A102-K108 HydrophobicContact CB-CG 4.49Å
103S85.3Confident87.1Confident69 Ų6953.8 Ų53.848%0.48329%0.292SS..SBendtrans-70.2-25.117784.80000113.2N25 E107N25-S103 PolarHBondContact O-N 3.21Å; S103-E107 PolarHBondContact OG-OE2 3.3Å
104S85.8Confident87.1Confident44 Ų4452.6 Ų52.631%0.30829%0.289SS..  trans-153.1156.4171.565.60000111A102 A106 E107 K108A102-S104 VanDerWaalsContact C-N 3.28Å; A102-S104 PolarHBondContact O-N 3.06Å; S104-A106 PolarHBondContact O-N 3.49Å; S104-E107 PolarHBondContact O-N 2.97Å; S104-E107 WeakPolarHBondContact OG-CB 3.46Å; S104-E107 WeakPolarHBondContact OG-CG 3.47Å; S104-E107 PolarHBondContact OG-N 3.42Å; S104-E107 VanDerWaalsContact OG-N 3.14Å; S104-K108 PolarHBondContact O-N 3.45Å; S104-K108 VanDerWaalsContact O-N 3.08Å
105T83.7Confident87.1Confident27 Ų2751.6 Ų51.617%0.16629%0.285CS..Hα-helixtrans-61.5-34.6174.4-47.60000111.5E86 K108 N109E86-T105 HydrophobicContact CB-CG2 4.2Å; E86-T105 HydrophobicContact CG-CG2 4.42Å; T105-K108 WeakPolarHBondContact O-CB 3.42Å; T105-K108 PolarHBondContact O-N 3.09Å; T105-N109 WeakPolarHBondContact O-CB 3.26Å; T105-N109 PolarHBondContact O-N 2.94Å; T105-N109 PolarHBondContact O-ND2 3.13Å; T105-N109 PolarHBondContact O-OD1 2.99Å
106A84.2Confident87.2Confident75 Ų7544 Ų4462%0.6225%0.248SC*.Hα-helixtrans-64.9-43.4175.900000112.8S104 N109 S110S104-A106 PolarHBondContact O-N 3.49Å; A106-N109 PolarHBondContact O-N 3.46Å; A106-S110 WeakPolarHBondContact O-CB 3.46Å; A106-S110 PolarHBondContact O-N 2.75Å
107E85.4Confident87.2Confident44 Ų4441.4 Ų41.421%0.20624%0.236CC..Hα-helixtrans-67.1-38.1175.6-74.4-171.9179.200112.2M1 V24 N25 S103 S104 F111M1-E107 VanDerWaalsContact CG-OE1 3.29Å; M1-E107 WeakPolarHBondContact CG-OE1 3.47Å; V24-E107 HydrophobicContact CG2-CB 4.13Å; N25-E107 PolarHBondContact N-OE2 2.7Å; S103-E107 PolarHBondContact OG-OE2 3.3Å; S104-E107 PolarHBondContact O-N 2.97Å; S104-E107 WeakPolarHBondContact OG-CB 3.46Å; S104-E107 WeakPolarHBondContact OG-CG 3.47Å; S104-E107 PolarHBondContact OG-N 3.42Å; S104-E107 VanDerWaalsContact OG-N 3.14Å; E107-F111 WeakPolarHBondContact O-CB 3.39Å; E107-F111 PolarHBondContact O-N 3.44Å; E107-F111 VanDerWaalsContact O-N 3.07Å
108K87.9Confident87.2Confident5 Ų538 Ų382%0.02222%0.216CC..Hα-helixtrans-55.8-54.6172.3-176.1-167.687.4166.60110.4A80 N87 F90 A102 S104 T105 S110 F111 I112A80-K108 PolarHBondContact O-NZ 3.24Å; A80-K108 VanDerWaalsContact O-NZ 3.1Å; N87-K108 WeakPolarHBondContact O-CD 3.4Å; N87-K108 VanDerWaalsContact O-CE 3.29Å; N87-K108 WeakPolarHBondContact O-CE 3.45Å; N87-K108 PolarHBondContact O-NZ 2.93Å; F90-K108 HydrophobicContact CB-CD 4.12Å; F90-K108 HydrophobicContact CB-CG 4.27Å; F90-K108 HydrophobicContact CD1-CD 4.11Å; F90-K108 HydrophobicContact CD1-CG 3.66Å; F90-K108 HydrophobicContact CE1-CG 4.27Å; F90-K108 HydrophobicContact CG-CD 4.47Å; F90-K108 HydrophobicContact CG-CG 4.14Å; A102-K108 HydrophobicContact CB-CB 3.77Å; A102-K108 HydrophobicContact CB-CG 4.49Å; S104-K108 PolarHBondContact O-N 3.45Å; S104-K108 VanDerWaalsContact O-N 3.08Å; T105-K108 WeakPolarHBondContact O-CB 3.42Å; T105-K108 PolarHBondContact O-N 3.09Å; K108-S110 PolarHBondContact O-N 3.02Å; K108-F111 PolarHBondContact O-N 3.48Å; K108-I112 HydrophobicContact CD-CD1 4.33Å; K108-I112 HydrophobicContact CG-CD1 3.86Å; K108-I112 WeakPolarHBondContact O-CG1 3.36Å; K108-I112 PolarHBondContact O-N 3.2Å
109N87.8Confident87.1Confident41 Ų4136 Ų3622%0.21921%0.208CC..Hα-helixtrans-62.1-45.3-175.9-73-1.7000111.4T105 A106 F111 I112 S113 L136T105-N109 WeakPolarHBondContact O-CB 3.26Å; T105-N109 PolarHBondContact O-N 2.94Å; T105-N109 PolarHBondContact O-ND2 3.13Å; T105-N109 PolarHBondContact O-OD1 2.99Å; A106-N109 PolarHBondContact O-N 3.46Å; N109-F111 VanDerWaalsContact C-N 3.3Å; N109-F111 PolarHBondContact O-N 3.18Å; N109-I112 PolarHBondContact O-N 3.47Å; N109-S113 PolarHBondContact O-N 2.91Å; N109-S113 PolarHBondContact O-OG 2.99Å; N109-L136 HydrophobicContact CB-CD1 3.88Å; N109-L136 HydrophobicContact CB-CD2 3.64Å; N109-L136 HydrophobicContact CB-CG 4.43Å; N109-L136 VanDerWaalsContact CG-CD1 3.47Å; N109-L136 WeakPolarHBondContact OD1-CD1 3.45Å
110S85.9Confident86.7Confident86 Ų8636.3 Ų36.360%0.60121%0.211SC*.Hα-helixtrans-58.9-39.7175.6-172.40000112.7A106 K108 C114A106-S110 WeakPolarHBondContact O-CB 3.46Å; A106-S110 PolarHBondContact O-N 2.75Å; K108-S110 PolarHBondContact O-N 3.02Å; S110-C114 WeakPolarHBondContact O-CB 3.47Å; S110-C114 PolarHBondContact O-N 2.64Å
111F89.5Confident86.2Confident1 Ų145.1 Ų45.10%0.00424%0.244CC..Hα-helixtrans-72.5-39.8178.4-172-106.6000113.1V24 L38 A40 V52 F90 E107 K108 N109 C114 I115V24-F111 HydrophobicContact CB-CB 3.78Å; V24-F111 HydrophobicContact CB-CD1 4.26Å; V24-F111 HydrophobicContact CB-CD2 3.98Å; V24-F111 HydrophobicContact CB-CG 3.76Å; V24-F111 HydrophobicContact CG1-CB 3.96Å; V24-F111 HydrophobicContact CG1-CD1 3.46Å; V24-F111 VanDerWaalsContact CG1-CD1 3.46Å; V24-F111 HydrophobicContact CG1-CD2 3.63Å; V24-F111 HydrophobicContact CG1-CE1 3.75Å; V24-F111 HydrophobicContact CG1-CE2 3.92Å; V24-F111 HydrophobicContact CG1-CG 3.39Å; V24-F111 HydrophobicContact CG1-CZ 3.98Å; V24-F111 HydrophobicContact CG2-CB 4.43Å; L38-F111 HydrophobicContact CB-CE1 4.16Å; L38-F111 HydrophobicContact CB-CE2 4.35Å; L38-F111 HydrophobicContact CB-CZ 3.74Å; L38-F111 HydrophobicContact CD1-CE1 4.43Å; A40-F111 HydrophobicContact CB-CE2 3.97Å; A40-F111 HydrophobicContact CB-CZ 4.42Å; V52-F111 HydrophobicContact CG1-CZ 4.33Å; F90-F111 HydrophobicContact CE2-CD1 4.39Å; F90-F111 HydrophobicContact CZ-CD1 4.37Å; E107-F111 WeakPolarHBondContact O-CB 3.39Å; E107-F111 PolarHBondContact O-N 3.44Å; E107-F111 VanDerWaalsContact O-N 3.07Å; K108-F111 PolarHBondContact O-N 3.48Å; N109-F111 VanDerWaalsContact C-N 3.3Å; N109-F111 PolarHBondContact O-N 3.18Å; F111-C114 WeakPolarHBondContact O-CB 3.45Å; F111-C114 PolarHBondContact O-N 3Å; F111-I115 HydrophobicContact CD1-CD1 3.89Å; F111-I115 HydrophobicContact CE1-CD1 3.48Å; F111-I115 VanDerWaalsContact CE1-CD1 3.48Å; F111-I115 HydrophobicContact CE1-CG1 4.33Å; F111-I115 HydrophobicContact CZ-CD1 4.02Å; F111-I115 PolarHBondContact O-N 3.41Å
112I89.3Confident85.8Confident0 Ų045.8 Ų45.80%024%0.243CC..Hα-helixtrans-63.9-45.2174.6-68.2176.2000110.5V78 A80 F90 K108 N109 C114 I115 W116 F129 V132V78-I112 HydrophobicContact CG1-CD1 4.41Å; V78-I112 HydrophobicContact CG1-CG1 4.26Å; V78-I112 HydrophobicContact CG1-CG2 4.24Å; A80-I112 HydrophobicContact CB-CD1 3.88Å; F90-I112 HydrophobicContact CB-CD1 4.26Å; K108-I112 HydrophobicContact CD-CD1 4.33Å; K108-I112 HydrophobicContact CG-CD1 3.86Å; K108-I112 WeakPolarHBondContact O-CG1 3.36Å; K108-I112 PolarHBondContact O-N 3.2Å; N109-I112 PolarHBondContact O-N 3.47Å; I112-C114 VanDerWaalsContact C-N 3.28Å; I112-C114 PolarHBondContact O-N 3.08Å; I112-I115 PolarHBondContact O-N 3.31Å; I112-I115 VanDerWaalsContact O-N 3.14Å; I112-W116 PolarHBondContact O-N 2.84Å; I112-F129 HydrophobicContact CG2-CD1 4.13Å; I112-F129 HydrophobicContact CG2-CE1 4.1Å; I112-V132 HydrophobicContact CG2-CG1 4.19Å; I112-V132 HydrophobicContact CG2-CG2 4.44Å
113S86.9Confident85.1Confident12 Ų1247.3 Ų47.38%0.08425%0.25CC..Hα-helixtrans-62.4-35.5174.4-62.20000111.9N109 W116 K117 L136N109-S113 PolarHBondContact O-N 2.91Å; N109-S113 PolarHBondContact O-OG 2.99Å; S113-W116 PolarHBondContact O-N 3.07Å; S113-K117 WeakPolarHBondContact O-CB 3.38Å; S113-K117 VanDerWaalsContact O-CG 3.32Å; S113-K117 WeakPolarHBondContact O-CG 3.42Å; S113-K117 PolarHBondContact O-N 3.31Å; S113-L136 PolarHBondContact OG-O 3.3Å
114C88.3Confident84Confident22 Ų2256.7 Ų56.715%0.14928%0.275CS..Hα-helixtrans-63.7-43.1172.9-173.20000112G22 S110 F111 I112 L118G22-C114 VanDerWaalsContact CA-SG 3.58Å; S110-C114 WeakPolarHBondContact O-CB 3.47Å; S110-C114 PolarHBondContact O-N 2.64Å; F111-C114 WeakPolarHBondContact O-CB 3.45Å; F111-C114 PolarHBondContact O-N 3Å; I112-C114 VanDerWaalsContact C-N 3.28Å; I112-C114 PolarHBondContact O-N 3.08Å; C114-L118 VanDerWaalsContact O-CB 3.32Å; C114-L118 WeakPolarHBondContact O-CB 3.41Å; C114-L118 VanDerWaalsContact O-CG 3.23Å; C114-L118 WeakPolarHBondContact O-CG 3.46Å; C114-L118 PolarHBondContact O-N 3.34Å
115I89.1Confident83.2Confident0 Ų059 Ų590%028%0.28CS..Hα-helixtrans-63.2-42.3175.5-74174.4000110.8L72 L75 V78 L92 F111 I112 L118 N119 F129L72-I115 HydrophobicContact CD1-CG2 4.04Å; L75-I115 HydrophobicContact CD2-CG2 4.07Å; V78-I115 HydrophobicContact CG2-CG2 4.33Å; L92-I115 HydrophobicContact CD2-CD1 4.36Å; F111-I115 HydrophobicContact CD1-CD1 3.89Å; F111-I115 HydrophobicContact CE1-CD1 3.48Å; F111-I115 VanDerWaalsContact CE1-CD1 3.48Å; F111-I115 HydrophobicContact CE1-CG1 4.33Å; F111-I115 HydrophobicContact CZ-CD1 4.02Å; F111-I115 PolarHBondContact O-N 3.41Å; I112-I115 PolarHBondContact O-N 3.31Å; I112-I115 VanDerWaalsContact O-N 3.14Å; I115-L118 WeakPolarHBondContact O-CB 3.46Å; I115-L118 PolarHBondContact O-N 2.84Å; I115-N119 PolarHBondContact O-N 3.1Å; I115-F129 HydrophobicContact CG2-CE1 4.42Å; I115-F129 HydrophobicContact CG2-CZ 4.2Å
116W86.4Confident82.6Confident37 Ų3766.9 Ų66.914%0.1431%0.311CS..Hα-helixtrans-62.5-48.7177.1-179.583000112.1I112 S113 L118 N119 Q120 F129 L137I112-W116 PolarHBondContact O-N 2.84Å; S113-W116 PolarHBondContact O-N 3.07Å; W116-L118 VanDerWaalsContact C-N 3.26Å; W116-L118 PolarHBondContact O-N 3.41Å; W116-N119 WeakPolarHBondContact O-CB 3.28Å; W116-N119 PolarHBondContact O-N 3.47Å; W116-N119 VanDerWaalsContact O-N 3.12Å; W116-Q120 HydrophobicContact CD2-CG 4.23Å; W116-Q120 HydrophobicContact CH2-CG 4.45Å; W116-Q120 HydrophobicContact CZ2-CG 4.04Å; W116-Q120 WeakPolarHBondContact O-CG 3.39Å; W116-Q120 PolarHBondContact O-N 3.4Å; W116-F129 HydrophobicContact CB-CE1 3.9Å; W116-F129 HydrophobicContact CB-CE2 4.35Å; W116-F129 HydrophobicContact CB-CZ 3.67Å; W116-F129 AromaticContact CD1-CD2 3.95Å; W116-F129 AromaticContact CD1-CE2 3.57Å; W116-F129 AromaticContact CD1-CZ 3.79Å; W116-F129 HydrophobicContact CG-CE2 4.36Å; W116-F129 HydrophobicContact CG-CZ 4.16Å; W116-L137 HydrophobicContact CB-CD2 4.13Å; W116-L137 VanDerWaalsContact CD1-CD2 3.42Å; W116-L137 HydrophobicContact CD2-CD2 4.15Å; W116-L137 HydrophobicContact CG-CD2 3.65Å; W116-L137 WeakPolarHBondContact CH2-O 3.46Å; W116-L137 VanDerWaalsContact CZ2-O 3.23Å; W116-L137 WeakPolarHBondContact CZ2-O 3.41Å
117K85.6Confident82.4Confident92 Ų9263.9 Ų63.940%0.429%0.285SS..Hα-helixtrans-58.5-39175.3-71.6176.2-176.3-179.70111.8S113 R121 E139S113-K117 WeakPolarHBondContact O-CB 3.38Å; S113-K117 VanDerWaalsContact O-CG 3.32Å; S113-K117 WeakPolarHBondContact O-CG 3.42Å; S113-K117 PolarHBondContact O-N 3.31Å; K117-R121 VanDerWaalsContact O-CB 3.25Å; K117-R121 WeakPolarHBondContact O-CB 3.46Å; K117-R121 PolarHBondContact O-N 3.47Å; K117-R121 VanDerWaalsContact O-N 3.09Å; K117-E139 WeakPolarHBondContact CE-O 3.33Å; K117-E139 PolarHBondContact NZ-O 3.5Å
118L86Confident82.1Confident6 Ų667.5 Ų67.53%0.03130%0.302CS..Hα-helixtrans-67.2-38.9176.3-80.8171000112.9L21 A40 V42 V50 L72 C114 I115 W116 Y122L21-L118 HydrophobicContact CD1-CD1 4.44Å; L21-L118 HydrophobicContact CD1-CD2 3.41Å; L21-L118 VanDerWaalsContact CD1-CD2 3.41Å; L21-L118 HydrophobicContact CD1-CG 4.27Å; A40-L118 HydrophobicContact CB-CD1 3.73Å; V42-L118 HydrophobicContact CG1-CD2 3.56Å; V50-L118 HydrophobicContact CG1-CB 4.1Å; V50-L118 HydrophobicContact CG1-CD1 3.89Å; V50-L118 HydrophobicContact CG1-CD2 3.88Å; V50-L118 HydrophobicContact CG1-CG 4.18Å; V50-L118 HydrophobicContact CG2-CD2 4.5Å; L72-L118 HydrophobicContact CD2-CB 3.82Å; C114-L118 VanDerWaalsContact O-CB 3.32Å; C114-L118 WeakPolarHBondContact O-CB 3.41Å; C114-L118 VanDerWaalsContact O-CG 3.23Å; C114-L118 WeakPolarHBondContact O-CG 3.46Å; C114-L118 PolarHBondContact O-N 3.34Å; I115-L118 WeakPolarHBondContact O-CB 3.46Å; I115-L118 PolarHBondContact O-N 2.84Å; W116-L118 VanDerWaalsContact C-N 3.26Å; W116-L118 PolarHBondContact O-N 3.41Å; L118-Y122 HydrophobicContact CD2-CD2 3.81Å; L118-Y122 HydrophobicContact CD2-CE2 3.77Å; L118-Y122 PolarHBondContact O-N 2.95Å; L118-Y122 VanDerWaalsContact O-N 3.11Å
119N84.1Confident81.9Confident5 Ų569.2 Ų69.23%0.02731%0.309CS..Hα-helixtrans-63.6-51.5175-17060.8000111.1I115 W116 R121 Y122 L123 K125 L127I115-N119 PolarHBondContact O-N 3.1Å; W116-N119 WeakPolarHBondContact O-CB 3.28Å; W116-N119 PolarHBondContact O-N 3.47Å; W116-N119 VanDerWaalsContact O-N 3.12Å; N119-R121 PolarHBondContact O-N 3.27Å; N119-Y122 PolarHBondContact O-N 2.98Å; N119-L123 CarbonylContact O-C 3.41Å; N119-L123 PolarHBondContact O-N 3.12Å; N119-L123 VanDerWaalsContact OD1-CB 3.27Å; N119-L123 WeakPolarHBondContact OD1-CB 3.45Å; N119-L123 WeakPolarHBondContact OD1-CD1 3.21Å; N119-K125 PolarHBondContact ND2-O 2.9Å; N119-K125 VanDerWaalsContact ND2-O 3.15Å; N119-K125 PolarHBondContact OD1-O 3.19Å; N119-L127 HydrophobicContact CB-CD1 3.68Å; N119-L127 WeakPolarHBondContact OD1-CD1 3.33Å; N119-L127 WeakPolarHBondContact OD1-CG 3.24Å
120Q81.8Confident81.7Confident122 Ų12269.9 Ų69.957%0.5732%0.315SS*.Hα-helixtrans-59.2-36.6-179.9-64.6-59.2-17.700112.5W116W116-Q120 HydrophobicContact CD2-CG 4.23Å; W116-Q120 HydrophobicContact CH2-CG 4.45Å; W116-Q120 HydrophobicContact CZ2-CG 4.04Å; W116-Q120 WeakPolarHBondContact O-CG 3.39Å; W116-Q120 PolarHBondContact O-N 3.4Å
121R81.4Confident81.3Confident190 Ų19069.5 Ų69.572%0.71731%0.306SS*.Hα-helixtrans-81.9-32.6-174.5-169.5171-176.3174.53.6114.4K117 N119K117-R121 VanDerWaalsContact O-CB 3.25Å; K117-R121 WeakPolarHBondContact O-CB 3.46Å; K117-R121 PolarHBondContact O-N 3.47Å; K117-R121 VanDerWaalsContact O-N 3.09Å; N119-R121 PolarHBondContact O-N 3.27Å
122Y79.4Confident80.8Confident76 Ų7670.3 Ų70.330%0.29831%0.311SS..Hα-helixtrans-127.8-13.9-168.4-60.7-72.8000115.3V42 V48 V50 L118 N119V42-Y122 HydrophobicContact CG1-CD2 4.42Å; V42-Y122 HydrophobicContact CG1-CE2 4.03Å; V48-Y122 HydrophobicContact CB-CD1 3.96Å; V48-Y122 HydrophobicContact CB-CE1 4.04Å; V48-Y122 HydrophobicContact CG1-CD1 3.66Å; V48-Y122 HydrophobicContact CG1-CE1 3.58Å; V48-Y122 HydrophobicContact CG1-CG 4.29Å; V48-Y122 HydrophobicContact CG2-CE1 4.2Å; V50-Y122 HydrophobicContact CG2-CD2 3.77Å; V50-Y122 HydrophobicContact CG2-CG 3.78Å; L118-Y122 HydrophobicContact CD2-CD2 3.81Å; L118-Y122 HydrophobicContact CD2-CE2 3.77Å; L118-Y122 PolarHBondContact O-N 2.95Å; L118-Y122 VanDerWaalsContact O-N 3.11Å; N119-Y122 PolarHBondContact O-N 2.98Å
123L73.9Confident80.1Confident39 Ų3971.8 Ų71.820%0.20432%0.321CS..  trans-119.9120.9-177.9-71164.5000109.9L72 R73 N119 K125L72-L123 HydrophobicContact CB-CD1 3.91Å; L72-L123 HydrophobicContact CD2-CD1 3.68Å; L72-L123 HydrophobicContact CG-CD1 3.58Å; R73-L123 HydrophobicContact CB-CD2 3.74Å; N119-L123 CarbonylContact O-C 3.41Å; N119-L123 PolarHBondContact O-N 3.12Å; N119-L123 VanDerWaalsContact OD1-CB 3.27Å; N119-L123 WeakPolarHBondContact OD1-CB 3.45Å; N119-L123 WeakPolarHBondContact OD1-CD1 3.21Å; L123-K125 PolarHBondContact O-N 3.43Å; L123-K125 VanDerWaalsContact O-N 3.17Å
124R62.7Low79.1Confident267 Ų26775 Ų75100%1.00834%0.343SS*.  trans-78.113.4172.8-66.8-177176.9168.9-2.3113.4
125K68.6Low78Confident93 Ų9380.8 Ų80.840%0.40437%0.369SS..SBendtrans-100.1135-178-175.2-175.1176.6-1630109.5R73 L75 N119 L123 L127R73-K125 PolarHBondContact O-NZ 3.19Å; L75-K125 PolarHBondContact O-NZ 3.2Å; L75-K125 VanDerWaalsContact O-NZ 3.13Å; N119-K125 PolarHBondContact ND2-O 2.9Å; N119-K125 VanDerWaalsContact ND2-O 3.15Å; N119-K125 PolarHBondContact OD1-O 3.19Å; L123-K125 PolarHBondContact O-N 3.43Å; L123-K125 VanDerWaalsContact O-N 3.17Å; K125-L127 PolarHBondContact O-N 3.02Å
126K69.7Low76.8Confident191 Ų19182.4 Ų82.483%0.8338%0.377SS*.  trans-75.9102.5174.7-165.3176.6-178.8-177.70109.1
127L79.9Confident75.8Confident12 Ų1282.7 Ų82.76%0.06338%0.381CS..  trans-78.1136.9167.2-80.8173000109.3L75 N119 K125 F129L75-L127 HydrophobicContact CB-CD2 3.85Å; L75-L127 HydrophobicContact CD2-CD1 4.24Å; L75-L127 HydrophobicContact CD2-CD2 4.34Å; L75-L127 HydrophobicContact CG-CD2 3.94Å; L75-L127 WeakPolarHBondContact O-CD2 3.39Å; N119-L127 HydrophobicContact CB-CD1 3.68Å; N119-L127 WeakPolarHBondContact OD1-CD1 3.33Å; N119-L127 WeakPolarHBondContact OD1-CG 3.24Å; K125-L127 PolarHBondContact O-N 3.02Å; L127-F129 HydrophobicContact CB-CD2 4.41Å; L127-F129 HydrophobicContact CB-CE2 3.81Å
128E80.6Confident74.5Confident121 Ų12185.4 Ų85.457%0.56540%0.395SS*.EExtended strand (participates in β ladder)trans-89.9122.3176.4-67.4-174.9169.600110.5T76 V77 V78T76-E128 PolarHBondContact O-N 2.97Å; V77-E128 WeakPolarHBondContact CA-O 3.37Å; V77-E128 HydrophobicContact CG2-CB 4.37Å; V78-E128 PolarHBondContact N-O 2.92Å
129F83.9Confident72.5Confident40 Ų4090.8 Ų90.818%0.17542%0.42CS..EExtended strand (participates in β ladder)trans-103.2111174.4-72.5-97.9000108.2V78 I112 I115 W116 L127 V132 L137V78-F129 HydrophobicContact CB-CD1 3.84Å; V78-F129 HydrophobicContact CB-CE1 3.95Å; V78-F129 HydrophobicContact CG1-CD1 4.11Å; V78-F129 HydrophobicContact CG1-CE1 4.18Å; V78-F129 HydrophobicContact CG2-CD1 4.37Å; V78-F129 HydrophobicContact CG2-CE1 4Å; V78-F129 HydrophobicContact CG2-CZ 4.39Å; V78-F129 WeakPolarHBondContact O-CA 3.49Å; I112-F129 HydrophobicContact CG2-CD1 4.13Å; I112-F129 HydrophobicContact CG2-CE1 4.1Å; I115-F129 HydrophobicContact CG2-CE1 4.42Å; I115-F129 HydrophobicContact CG2-CZ 4.2Å; W116-F129 HydrophobicContact CB-CE1 3.9Å; W116-F129 HydrophobicContact CB-CE2 4.35Å; W116-F129 HydrophobicContact CB-CZ 3.67Å; W116-F129 AromaticContact CD1-CD2 3.95Å; W116-F129 AromaticContact CD1-CE2 3.57Å; W116-F129 AromaticContact CD1-CZ 3.79Å; W116-F129 HydrophobicContact CG-CE2 4.36Å; W116-F129 HydrophobicContact CG-CZ 4.16Å; L127-F129 HydrophobicContact CB-CD2 4.41Å; L127-F129 HydrophobicContact CB-CE2 3.81Å; F129-V132 HydrophobicContact CB-CB 4.42Å; F129-V132 HydrophobicContact CB-CG2 3.93Å; F129-V132 HydrophobicContact CD1-CG2 4.2Å; F129-L137 HydrophobicContact CB-CD1 4.23Å; F129-L137 HydrophobicContact CB-CD2 4.46Å; F129-L137 HydrophobicContact CD1-CD2 4.14Å; F129-L137 HydrophobicContact CG-CD2 4.18Å
130V82.1Confident70.1Confident56 Ų5697.3 Ų97.334%0.33945%0.454SS..EExtended strand (participates in β ladder)trans-109.7136.5-172.7-176.90000109.2V77 V78 D79 A80 V132V77-V130 HydrophobicContact CG1-CB 4.32Å; V77-V130 HydrophobicContact CG1-CG2 3.7Å; V78-V130 PolarHBondContact O-N 3.48Å; D79-V130 WeakPolarHBondContact CA-O 3.45Å; D79-V130 HydrophobicContact CB-CB 4.49Å; A80-V130 PolarHBondContact N-O 3.2Å; V130-V132 PolarHBondContact O-N 3.23Å; V130-V132 VanDerWaalsContact O-N 3.17Å
131N78.8Confident67.9Low78 Ų7897.1 Ų97.142%0.41746%0.463SS..SBendtrans55.129.7-178.1-53.7-45.1000114.5D79 A80 D82 A83D79-N131 PolarHBondContact OD1-ND2 3.37Å; A80-N131 WeakPolarHBondContact CB-O 3.33Å; D82-N131 CarbonylContact C-O 3.49Å; D82-N131 VanDerWaalsContact C-O 3.25Å; A83-N131 WeakPolarHBondContact CA-O 3.26Å; A83-N131 PolarHBondContact N-O 2.91Å
132V79.3Confident65.5Low17 Ų1796.6 Ų96.610%0.10347%0.466CS..  trans-97.4134.5175.8-175.10000108.8A80 I112 F129 V130 S134 L136 L137A80-V132 HydrophobicContact CB-CB 4.4Å; A80-V132 HydrophobicContact CB-CG2 3.7Å; I112-V132 HydrophobicContact CG2-CG1 4.19Å; I112-V132 HydrophobicContact CG2-CG2 4.44Å; F129-V132 HydrophobicContact CB-CB 4.42Å; F129-V132 HydrophobicContact CB-CG2 3.93Å; F129-V132 HydrophobicContact CD1-CG2 4.2Å; V130-V132 PolarHBondContact O-N 3.23Å; V130-V132 VanDerWaalsContact O-N 3.17Å; V132-S134 PolarHBondContact O-N 3.25Å; V132-L136 HydrophobicContact CG1-CB 4.12Å; V132-L136 HydrophobicContact CG1-CD1 4.08Å; V132-L137 HydrophobicContact CB-CD1 4.31Å; V132-L137 HydrophobicContact CG1-CD1 4.21Å; V132-L137 HydrophobicContact CG1-CD2 4.22Å; V132-L137 HydrophobicContact CG1-CG 4.05Å
133S74.4Confident63.1Low32 Ų3297.6 Ų97.622%0.22449%0.49CS..  trans-59.5132.6173.8176.30000110.7Q135 L136S133-Q135 PolarHBondContact O-N 3.4Å; S133-L136 WeakPolarHBondContact O-CB 3.2Å; S133-L136 PolarHBondContact O-N 2.82Å
134S65Low60.8Low78 Ų78102.8 Ų102.855%0.54551%0.514SS..Hα-helixtrans-56.5-31.2178.948.40000112.5V132 L136 L137 E138V132-S134 PolarHBondContact O-N 3.25Å; S134-L136 PolarHBondContact O-N 2.89Å; S134-L137 CarbonylContact O-C 3.59Å; S134-L137 PolarHBondContact O-N 3.13Å; S134-E138 PolarHBondContact O-N 3.5Å
135Q64.4Low59.5Low145 Ų14599.2 Ų99.268%0.67851%0.508SS*.Hα-helixtrans-61-27.1175.9-65176.8-18.300113.6S133 L137S133-Q135 PolarHBondContact O-N 3.4Å; Q135-L137 VanDerWaalsContact C-N 3.34Å
136L65.3Low57.6Low33 Ų3398.8 Ų98.817%0.17352%0.517CS..Hα-helixtrans-81-18.7177.8-64.7173.9000113.4N109 S113 V132 S133 S134N109-L136 HydrophobicContact CB-CD1 3.88Å; N109-L136 HydrophobicContact CB-CD2 3.64Å; N109-L136 HydrophobicContact CB-CG 4.43Å; N109-L136 VanDerWaalsContact CG-CD1 3.47Å; N109-L136 WeakPolarHBondContact OD1-CD1 3.45Å; S113-L136 PolarHBondContact OG-O 3.3Å; V132-L136 HydrophobicContact CG1-CB 4.12Å; V132-L136 HydrophobicContact CG1-CD1 4.08Å; S133-L136 WeakPolarHBondContact O-CB 3.2Å; S133-L136 PolarHBondContact O-N 2.82Å; S134-L136 PolarHBondContact O-N 2.89Å
137L66Low55.4Low43 Ų4396.9 Ų96.923%0.22552%0.521CS..Hα-helixtrans-100.3-7179-56.3175000111.3W116 F129 V132 S134 Q135W116-L137 HydrophobicContact CB-CD2 4.13Å; W116-L137 VanDerWaalsContact CD1-CD2 3.42Å; W116-L137 HydrophobicContact CD2-CD2 4.15Å; W116-L137 HydrophobicContact CG-CD2 3.65Å; W116-L137 WeakPolarHBondContact CH2-O 3.46Å; W116-L137 VanDerWaalsContact CZ2-O 3.23Å; W116-L137 WeakPolarHBondContact CZ2-O 3.41Å; F129-L137 HydrophobicContact CB-CD1 4.23Å; F129-L137 HydrophobicContact CB-CD2 4.46Å; F129-L137 HydrophobicContact CD1-CD2 4.14Å; F129-L137 HydrophobicContact CG-CD2 4.18Å; V132-L137 HydrophobicContact CB-CD1 4.31Å; V132-L137 HydrophobicContact CG1-CD1 4.21Å; V132-L137 HydrophobicContact CG1-CD2 4.22Å; V132-L137 HydrophobicContact CG1-CG 4.05Å; S134-L137 CarbonylContact O-C 3.59Å; S134-L137 PolarHBondContact O-N 3.13Å; Q135-L137 VanDerWaalsContact C-N 3.34Å
138E57.7Low53.3Low149 Ų149101 Ų10170%0.69655%0.548SS*.  trans-108.664173.6-78-177.5144.400111S134S134-E138 PolarHBondContact O-N 3.5Å
139E43.2Very low50.8Low120 Ų120101.2 Ų101.256%0.56156%0.563SS**  trans-142.672.4161.7-80.1-168.8170.100110.1K117K117-E139 WeakPolarHBondContact CE-O 3.33Å; K117-E139 PolarHBondContact NZ-O 3.5Å
140L34.9Very low48.1Very low142 Ų142102.6 Ų102.674%0.74359%0.589SS**  trans-79.7134.6137.6-77.1168.2000106.6K142L140-K142 PolarHBondContact O-N 3.48Å
141P35.8Very low45.5Very low117 Ų117108.9 Ų108.976%0.7662%0.615SS**  trans-60112.3151.3-0.115.8000105.6A143P141-A143 PolarHBondContact O-N 2.84Å
142K30.6Very low43Very low179 Ų179110.1 Ų110.178%0.77863%0.629SS**  trans-56.1116.9146.2-73.2-178.7177.7-179.30104.6L140 E144L140-K142 PolarHBondContact O-N 3.48Å; K142-E144 PolarHBondContact O-N 2.85Å
143A28.6Very low40.7Very low97 Ų97117.9 Ų117.980%0.80266%0.664SS**  trans-66.391.4161.600000106.3P141P141-A143 PolarHBondContact O-N 2.84Å
144E26Very low38.5Very low149 Ų149121.5 Ų121.570%0.69669%0.69SS**  trans-87.7112.9141.6-72.4175-175.100102.3K142 S146K142-E144 PolarHBondContact O-N 2.85Å; E144-S146 VanDerWaalsContact C-N 3.35Å
145E34.4Very low36.8Very low191 Ų191124.5 Ų124.589%0.89370%0.704SS**  327154.2-95.4-171-178.800110.9
146S28.1Very low35.2Very low84 Ų84122.1 Ų122.159%0.58771%0.709SS**  trans-173.7117.5141.441.40000111.4E144E144-S146 VanDerWaalsContact C-N 3.35Å
147V23.9Very low33.6Very low151 Ų151124.6 Ų124.692%0.91574%0.743SS**  -121.4138.6129.5169.70000105
148P37.3Very low31.9Very low98 Ų98125.9 Ų125.964%0.63677%0.767SS**  -131.1-165.8-121.641-25.4000113.2
149S27.8Very low30.6Very low126 Ų126126.8 Ų126.888%0.88178%0.776SS**  trans92.9123.8169.568.70000115.5
150G27.3Very low30.2Very low69 Ų69129.2 Ų129.271%0.71179%0.788SS**  cis-168.3157.20.800000112.1
151E27.5Very low30.1Very low189 Ų189129.9 Ų129.988%0.88379%0.792SS**  trans55.2104.8146.4-66.4-176.7169.700120.5
152S26Very low30.2Very low103 Ų103128.9 Ų128.972%0.7279%0.794SS**  130.1124.2113.8-70.10000116.6
153Q29.9Very low30.6Very low180 Ų180128.5 Ų128.584%0.84180%0.799SS**  trans79.990.8147.4-70.4176.7-19.700119.5
154S29.9Very low31.2Very low109 Ų109133.6 Ų133.676%0.76281%0.807SS**  trans-7.8127.4130.755.90000117
155V29.5Very low31.7Very low140 Ų140135.5 Ų135.585%0.84882%0.815SS**  trans-144.7110.7136.3-177.10000108.4
156A30.5Very low32.1Very low95 Ų95136.5 Ų136.579%0.78581%0.812SS**  trans-69.3128.5159.300000107.8G158A156-G158 PolarHBondContact O-N 3.43Å
157G31.3Very low32.7Very low86 Ų86141.4 Ų141.489%0.88783%0.826SS**  trans-70.1116169.100000109.9
158G29.7Very low34.1Very low69 Ų69142.1 Ų142.171%0.71182%0.819SS**  trans-163.498.7173.100000110A156A156-G158 PolarHBondContact O-N 3.43Å
159D30.5Very low34.5Very low169 Ų169143.7 Ų143.790%0.90482%0.822SS**  trans61.7144.8156.4-79.5-9.2000123.3
160E34.9Very low36Very low171 Ų171140.4 Ų140.480%0.79980%0.799SS**  trans-69.1163-173-63.317314500114.7
161D33.3Very low37.6Very low156 Ų156142.3 Ų142.383%0.83480%0.797SS**  trans74.592.7152.6-66.2-18.1000120
162A37.3Very low39.3Very low96 Ų96142.1 Ų142.179%0.79379%0.788SS**  trans-144.897.2147.700000111.7
163L39.3Very low41.1Very low171 Ų171141.8 Ų141.890%0.89578%0.775SS**  trans43.4112.5141.1-69.3155.4000119.7
164E40.4Very low42.7Very low204 Ų204139.8 Ų139.895%0.95377%0.766SS**PPolyproline II helixtrans-59.1125.1159.8-72.5176.1149.400111.6
165E36.1Very low44.4Very low188 Ų188140.8 Ų140.888%0.87976%0.758SS**PPolyproline II helixtrans-96.6126.1170.6-161.7170.3-155.200109.2Q167E165-Q167 PolarHBondContact O-N 3.22Å
166Y42.8Very low46.1Very low212 Ų212138.8 Ų138.883%0.83174%0.743SS**PPolyproline II helixtrans-65.7123.2178.6-173.7-97000110.4
167Q42.7Very low47.8Very low187 Ų187138.4 Ų138.487%0.87473%0.727SS**  trans-98.8114.8178.8-168155.84.700110.7E165E165-Q167 PolarHBondContact O-N 3.22Å
168E52.5Low49.2Very low166 Ų166140.6 Ų140.678%0.77671%0.714SS**PPolyproline II helixtrans-65.7143171.1-67.2179.7160.900110.5
169L45.1Very low50.8Low132 Ų132140 Ų14069%0.69170%0.699SS**PPolyproline II helixtrans-51137.7-178.6-79.9157.1000111.6E173L169-E173 HydrophobicContact CD2-CB 4.26Å; L169-E173 WeakPolarHBondContact CD2-OE2 3.23Å
170S60.5Low52.2Low57 Ų57136.5 Ų136.540%0.39968%0.678SS.*PPolyproline II helixtrans-65.8141.7-178.6171.30000110.4R172 E173 E174S170-R172 PolarHBondContact O-N 3.04Å; S170-R172 PolarHBondContact OG-N 3.49Å; S170-E173 WeakPolarHBondContact CB-OE2 3.3Å; S170-E173 PolarHBondContact N-OE2 3.09Å; S170-E173 WeakPolarHBondContact O-CA 3.48Å; S170-E173 WeakPolarHBondContact O-CB 3.47Å; S170-E173 PolarHBondContact O-N 3.24Å; S170-E174 PolarHBondContact O-N 3.34Å
171T59Low53.4Low109 Ų109135.3 Ų135.367%0.66967%0.674SS**Hα-helixtrans-53.9-20.9173.254.50000112.9Q175T171-Q175 WeakPolarHBondContact O-CB 3.49Å; T171-Q175 WeakPolarHBondContact O-CG 3.22Å; T171-Q175 PolarHBondContact O-N 2.94Å; T171-Q175 VanDerWaalsContact O-N 3.14Å
172R64.2Low54.6Low184 Ų184135.8 Ų135.869%0.69467%0.672SS**Hα-helixtrans-76.1-36.9174.1-158.8173.6-167.8143.92.6112.7S170 D176S170-R172 PolarHBondContact O-N 3.04Å; S170-R172 PolarHBondContact OG-N 3.49Å; R172-D176 WeakPolarHBondContact O-CB 3.32Å; R172-D176 PolarHBondContact O-N 2.87Å
173E62.9Low55.5Low97 Ų97138.9 Ų138.945%0.45367%0.672SS.*Hα-helixtrans-73.6-36.8175.9-65.2169.5138.400110.7L169 S170 D176 I177L169-E173 HydrophobicContact CD2-CB 4.26Å; L169-E173 WeakPolarHBondContact CD2-OE2 3.23Å; S170-E173 WeakPolarHBondContact CB-OE2 3.3Å; S170-E173 PolarHBondContact N-OE2 3.09Å; S170-E173 WeakPolarHBondContact O-CA 3.48Å; S170-E173 WeakPolarHBondContact O-CB 3.47Å; S170-E173 PolarHBondContact O-N 3.24Å; E173-D176 PolarHBondContact O-N 2.98Å; E173-I177 WeakPolarHBondContact O-CB 3.34Å; E173-I177 WeakPolarHBondContact O-CD1 3.44Å; E173-I177 WeakPolarHBondContact O-CG1 3.41Å; E173-I177 PolarHBondContact O-N 3.25Å
174E64.9Low56.1Low138 Ų138133.3 Ų133.365%0.64565%0.646SS**Hα-helixtrans-64.1-43.9172.4-154.8175.6-155.900111.1S170 I177 E178S170-E174 PolarHBondContact O-N 3.34Å; E174-I177 PolarHBondContact O-N 3.33Å; E174-E178 WeakPolarHBondContact O-CB 3.46Å; E174-E178 PolarHBondContact O-N 3.24Å
175Q64.9Low56.6Low130 Ų130132.2 Ų132.261%0.60764%0.641SS**Hα-helixtrans-65.2-38.2173-85.7-176.8-20.700113.8T171 E178 S179T171-Q175 WeakPolarHBondContact O-CB 3.49Å; T171-Q175 WeakPolarHBondContact O-CG 3.22Å; T171-Q175 PolarHBondContact O-N 2.94Å; T171-Q175 VanDerWaalsContact O-N 3.14Å; Q175-E178 PolarHBondContact O-N 3.08Å; Q175-S179 WeakPolarHBondContact O-CB 3.32Å; Q175-S179 PolarHBondContact O-N 3.21Å
176D64.6Low57.3Low98 Ų98132.1 Ų132.152%0.52464%0.638SS.*Hα-helixtrans-70.7-34.1177.7-84.9-16.8000111.4R172 E173 M180R172-D176 WeakPolarHBondContact O-CB 3.32Å; R172-D176 PolarHBondContact O-N 2.87Å; E173-D176 PolarHBondContact O-N 2.98Å; D176-M180 WeakPolarHBondContact O-CB 3.24Å; D176-M180 PolarHBondContact O-N 2.96Å
177I66.1Low57.8Low87 Ų87126.3 Ų126.345%0.44663%0.634SS.*Hα-helixtrans-68.3-41.6171.9-69.1166.6000110.8E173 E174 M180 M181E173-I177 WeakPolarHBondContact O-CB 3.34Å; E173-I177 WeakPolarHBondContact O-CD1 3.44Å; E173-I177 WeakPolarHBondContact O-CG1 3.41Å; E173-I177 PolarHBondContact O-N 3.25Å; E174-I177 PolarHBondContact O-N 3.33Å; I177-M180 PolarHBondContact O-N 3.29Å; I177-M181 PolarHBondContact O-N 3.15Å
178E60.8Low58.3Low131 Ų131124.1 Ų124.161%0.61263%0.633SS**Hα-helixtrans-66.6-40.8177.5-156.9167.9-145.300111.3E174 Q175 M181 E182E174-E178 WeakPolarHBondContact O-CB 3.46Å; E174-E178 PolarHBondContact O-N 3.24Å; Q175-E178 PolarHBondContact O-N 3.08Å; E178-M181 PolarHBondContact O-N 2.79Å; E178-E182 PolarHBondContact O-N 2.87Å
179S63.1Low58.4Low57 Ų57121.3 Ų121.340%0.39963%0.632SS.*Hα-helixtrans-66.1-37172.7-172.60000112.5Q175 M181 E182 M183Q175-S179 WeakPolarHBondContact O-CB 3.32Å; Q175-S179 PolarHBondContact O-N 3.21Å; S179-M181 VanDerWaalsContact C-N 3.35Å; S179-E182 PolarHBondContact O-N 3.41Å; S179-M183 PolarHBondContact O-N 3.1Å
180M61.6Low59.1Low96 Ų96120.1 Ų120.147%0.47363%0.626SS.*Hα-helixtrans-65.4-36.8172-120.2-174.2-61.700112.3D176 I177 C184D176-M180 WeakPolarHBondContact O-CB 3.24Å; D176-M180 PolarHBondContact O-N 2.96Å; I177-M180 PolarHBondContact O-N 3.29Å; M180-C184 PolarHBondContact O-SG 3.19Å
181M59.5Low59.2Low145 Ų145121.5 Ų121.571%0.71464%0.641SS**Hα-helixtrans-72.2-35174.9-78.2-175.36800112.3I177 E178 S179 C184I177-M181 PolarHBondContact O-N 3.15Å; E178-M181 PolarHBondContact O-N 2.79Å; S179-M181 VanDerWaalsContact C-N 3.35Å; M181-C184 PolarHBondContact O-N 2.82Å
182E59.2Low59.7Low166 Ų166123.9 Ų123.978%0.77665%0.645SS**Hα-helixtrans-69.9-35175.6-100-172.2161.600113.3E178 S179 C184E178-E182 PolarHBondContact O-N 2.87Å; S179-E182 PolarHBondContact O-N 3.41Å; E182-C184 PolarHBondContact O-N 2.85Å
183M56.2Low59.7Low162 Ų162117.9 Ų117.980%0.79864%0.635SS**THydrogen-bonded Turntrans-75.91.6177.7-74.8-136.2-67.500114.6S179S179-M183 PolarHBondContact O-N 3.1Å
184C51.3Low59.8Low53 Ų53118.5 Ų118.536%0.35864%0.636SS.*  trans-103.674.5179.2-70.20000112M180 M181 E182 F186M180-C184 PolarHBondContact O-SG 3.19Å; M181-C184 PolarHBondContact O-N 2.82Å; E182-C184 PolarHBondContact O-N 2.85Å; C184-F186 PolarHBondContact O-N 2.96Å
185E50Low60.1Low181 Ų181114.8 Ų114.885%0.84663%0.629SS**THydrogen-bonded Turntrans-67.316.8177.5-95.1-167.2165.800115.8
186F51.6Low60.6Low186 Ų186114.8 Ų114.882%0.81663%0.629SS**THydrogen-bonded Turntrans-129.640.8175.4-82.4-87.4000112.6C184 V188C184-F186 PolarHBondContact O-N 2.96Å; F186-V188 PolarHBondContact O-N 3.37Å; F186-V188 VanDerWaalsContact O-N 3.17Å
187A52Low61Low90 Ų90116.5 Ų116.574%0.74463%0.632SS**THydrogen-bonded Turntrans-67.5104.3148.700000107.8
188V53.3Low61.2Low142 Ų142116.1 Ų116.186%0.86163%0.63SS**THydrogen-bonded Turntrans165.8-9.4144.2161.10000112.5F186F186-V188 PolarHBondContact O-N 3.37Å; F186-V188 VanDerWaalsContact O-N 3.17Å
189S55.3Low62Low107 Ų107116.4 Ų116.475%0.74863%0.629SS**THydrogen-bonded Turntrans-126.6-18-174.8-530000119.1
190N60Low62.6Low107 Ų107119.9 Ų119.957%0.57264%0.637SS**  trans-158.398.2179.3-156.7-10.4000114.9E192N190-E192 VanDerWaalsContact C-N 3.32Å; N190-E192 PolarHBondContact O-N 2.87Å; N190-E192 PolarHBondContact OD1-N 3.31Å
191A63.4Low63.2Low86 Ų86120.2 Ų120.271%0.71164%0.638SS**Hα-helixtrans-71.5-22.4-179.700000114F194 A195A191-F194 PolarHBondContact O-N 3.02Å; A191-A195 PolarHBondContact O-N 3.16Å
192E68.4Low63.9Low159 Ų159118 Ų11874%0.74363%0.628SS**Hα-helixtrans-69.5-38.7-176.1-161.1168.8-160.700111.5N190 F194 A195 E196N190-E192 VanDerWaalsContact C-N 3.32Å; N190-E192 PolarHBondContact O-N 2.87Å; N190-E192 PolarHBondContact OD1-N 3.31Å; E192-F194 VanDerWaalsContact C-N 3.31Å; E192-F194 PolarHBondContact O-N 3.39Å; E192-A195 PolarHBondContact O-N 2.86Å; E192-E196 PolarHBondContact O-N 2.85Å; E192-E196 VanDerWaalsContact O-N 3.16Å
193A63.8Low64.8Low58 Ų58116.1 Ų116.148%0.47962%0.619SS.*Hα-helixtrans-67.2-28.8177.100000113.3K197A193-K197 PolarHBondContact O-N 3.48Å
194F65.3Low65.9Low109 Ų109113.7 Ų113.748%0.47861%0.613SS.*Hα-helixtrans-74.8-45177.6-178.6-110000111.7A191 E192 E196 K197 L198A191-F194 PolarHBondContact O-N 3.02Å; E192-F194 VanDerWaalsContact C-N 3.31Å; E192-F194 PolarHBondContact O-N 3.39Å; F194-E196 VanDerWaalsContact C-N 3.26Å; F194-E196 PolarHBondContact O-N 3.29Å; F194-K197 PolarHBondContact O-N 2.95Å; F194-L198 HydrophobicContact CD1-CD1 4.06Å; F194-L198 HydrophobicContact CE1-CD1 3.4Å; F194-L198 HydrophobicContact CE2-CD1 4.27Å; F194-L198 HydrophobicContact CZ-CD1 3.52Å; F194-L198 PolarHBondContact O-N 2.89Å; F194-L198 VanDerWaalsContact O-N 3.13Å
195A71.3Confident67.1Low60 Ų60116.6 Ų116.650%0.49663%0.625SS.*Hα-helixtrans-59.8-37.5175.300000112A191 E192 K197 L198 F199A191-A195 PolarHBondContact O-N 3.16Å; E192-A195 PolarHBondContact O-N 2.86Å; A195-K197 PolarHBondContact O-N 3.02Å; A195-L198 PolarHBondContact O-N 3.11Å; A195-F199 WeakPolarHBondContact O-CB 3.36Å; A195-F199 PolarHBondContact O-N 3.09Å
196E76.3Confident68.1Low130 Ų130112.1 Ų112.161%0.60761%0.607SS**Hα-helixtrans-67.2-34.4179.2-144.7-170-172.600112.9E192 F194 K200E192-E196 PolarHBondContact O-N 2.85Å; E192-E196 VanDerWaalsContact O-N 3.16Å; F194-E196 VanDerWaalsContact C-N 3.26Å; F194-E196 PolarHBondContact O-N 3.29Å; E196-K200 PolarHBondContact O-N 3.46Å
197K73Confident69.2Low135 Ų135105 Ų10559%0.58759%0.585SS**Hα-helixtrans-72.5-44.2176.7-165.6178.8177.7-169.70111.7A193 F194 A195 F199 K200 E201A193-K197 PolarHBondContact O-N 3.48Å; F194-K197 PolarHBondContact O-N 2.95Å; A195-K197 PolarHBondContact O-N 3.02Å; K197-F199 VanDerWaalsContact C-N 3.33Å; K197-F199 PolarHBondContact O-N 3.24Å; K197-K200 PolarHBondContact O-N 3.38Å; K197-E201 PolarHBondContact O-N 3.48Å
198L70.7Confident70.2Confident78 Ų78103.1 Ų103.141%0.40857%0.571SS.*Hα-helixtrans-60.9-40.6173.7-101.1160.1000112F194 A195 K200 E201 L202F194-L198 HydrophobicContact CD1-CD1 4.06Å; F194-L198 HydrophobicContact CE1-CD1 3.4Å; F194-L198 HydrophobicContact CE2-CD1 4.27Å; F194-L198 HydrophobicContact CZ-CD1 3.52Å; F194-L198 PolarHBondContact O-N 2.89Å; F194-L198 VanDerWaalsContact O-N 3.13Å; A195-L198 PolarHBondContact O-N 3.11Å; L198-K200 VanDerWaalsContact C-N 3.34Å; L198-K200 PolarHBondContact O-N 3.36Å; L198-E201 PolarHBondContact O-N 3.28Å; L198-L202 WeakPolarHBondContact O-CB 3.4Å; L198-L202 PolarHBondContact O-N 3.12Å
199F77.1Confident71Confident137 Ų137101 Ų10160%0.60155%0.554SS**Hα-helixtrans-62.9-40176.7-172.1-94.7000112.1A195 K197 Q203A195-F199 WeakPolarHBondContact O-CB 3.36Å; A195-F199 PolarHBondContact O-N 3.09Å; K197-F199 VanDerWaalsContact C-N 3.33Å; K197-F199 PolarHBondContact O-N 3.24Å; F199-Q203 WeakPolarHBondContact O-CB 3.43Å; F199-Q203 PolarHBondContact O-N 3.47Å
200K76.3Confident71.6Confident131 Ų131100.7 Ų100.757%0.5754%0.543SS*.Hα-helixtrans-64.4-42.9174.3-91.3176.3178.2161.10112.5E196 K197 L198 Q203 V204E196-K200 PolarHBondContact O-N 3.46Å; K197-K200 PolarHBondContact O-N 3.38Å; L198-K200 VanDerWaalsContact C-N 3.34Å; L198-K200 PolarHBondContact O-N 3.36Å; K200-Q203 PolarHBondContact O-N 2.93Å; K200-V204 WeakPolarHBondContact O-CG2 3.26Å; K200-V204 PolarHBondContact O-N 2.76Å; K200-V204 VanDerWaalsContact O-N 3.16Å
201E72.9Confident72.1Confident103 Ų103102.6 Ų102.648%0.48155%0.548SS..Hα-helixtrans-67.9-40178.3-74.8178.9-169.700111.7K197 L198 Q203 V204 L205K197-E201 PolarHBondContact O-N 3.48Å; L198-E201 PolarHBondContact O-N 3.28Å; E201-Q203 PolarHBondContact O-N 3Å; E201-V204 PolarHBondContact O-N 3Å; E201-L205 PolarHBondContact O-N 3.41Å
202L75.1Confident72.6Confident99 Ų99102.3 Ų102.352%0.51854%0.542SS..Hα-helixtrans-60.9-43.9173.3-167.679.6000111.8L198 V204 L205 D206L198-L202 WeakPolarHBondContact O-CB 3.4Å; L198-L202 PolarHBondContact O-N 3.12Å; L202-V204 VanDerWaalsContact C-N 3.32Å; L202-V204 PolarHBondContact O-N 3.47Å; L202-L205 PolarHBondContact O-N 2.95Å; L202-L205 VanDerWaalsContact O-N 3.13Å; L202-D206 PolarHBondContact O-N 3.49Å
203Q77.4Confident72.6Confident125 Ų125100 Ų10058%0.58453%0.533SS*.Hα-helixtrans-64.2-35.6179.7-169.2178.817.100112.7F199 K200 E201 G207F199-Q203 WeakPolarHBondContact O-CB 3.43Å; F199-Q203 PolarHBondContact O-N 3.47Å; K200-Q203 PolarHBondContact O-N 2.93Å; E201-Q203 PolarHBondContact O-N 3Å; Q203-G207 PolarHBondContact O-N 3.24Å; Q203-G207 VanDerWaalsContact O-N 3.1Å
204V79.4Confident72.7Confident111 Ų111102.4 Ų102.467%0.67354%0.536SS*.Hα-helixtrans-67.8-41173.8172.70000110.5K200 E201 L202 G207 A208K200-V204 WeakPolarHBondContact O-CG2 3.26Å; K200-V204 PolarHBondContact O-N 2.76Å; K200-V204 VanDerWaalsContact O-N 3.16Å; E201-V204 PolarHBondContact O-N 3Å; L202-V204 VanDerWaalsContact C-N 3.32Å; L202-V204 PolarHBondContact O-N 3.47Å; V204-G207 PolarHBondContact O-N 2.87Å; V204-A208 PolarHBondContact O-N 3.42Å
205L75.9Confident72.9Confident115 Ų11599.9 Ų99.960%0.60254%0.535SS*.Hα-helixtrans-67.5-43.1179.3-136.4115.1000111.9E201 L202 G207 A208 N209E201-L205 PolarHBondContact O-N 3.41Å; L202-L205 PolarHBondContact O-N 2.95Å; L202-L205 VanDerWaalsContact O-N 3.13Å; L205-G207 VanDerWaalsContact C-N 3.29Å; L205-G207 PolarHBondContact O-N 3.49Å; L205-A208 PolarHBondContact O-N 3.15Å; L205-A208 VanDerWaalsContact O-N 3.13Å; L205-N209 PolarHBondContact O-N 2.88Å
206D71.8Confident72.8Confident86 Ų8699.8 Ų99.846%0.4653%0.53SS..Hα-helixtrans-60.6-39.3173.9-80.8-15.8000111.4L202 A208 N209 I210L202-D206 PolarHBondContact O-N 3.49Å; D206-A208 PolarHBondContact O-N 3.41Å; D206-N209 PolarHBondContact O-N 2.92Å; D206-I210 VanDerWaalsContact O-CG1 3.27Å; D206-I210 WeakPolarHBondContact O-CG1 3.32Å; D206-I210 PolarHBondContact O-N 3.34Å
207G75.5Confident72.8Confident36 Ų3699.3 Ų99.337%0.37153%0.528SS..Hα-helixtrans-62.2-40.5173.300000113.3Q203 V204 L205 Q211Q203-G207 PolarHBondContact O-N 3.24Å; Q203-G207 VanDerWaalsContact O-N 3.1Å; V204-G207 PolarHBondContact O-N 2.87Å; L205-G207 VanDerWaalsContact C-N 3.29Å; L205-G207 PolarHBondContact O-N 3.49Å; G207-Q211 PolarHBondContact O-N 2.94Å
208A72.5Confident72.9Confident52 Ų52100 Ų10043%0.4353%0.531SS..Hα-helixtrans-69.7-38.7176.400000112.2V204 L205 D206 Q211 S212V204-A208 PolarHBondContact O-N 3.42Å; L205-A208 PolarHBondContact O-N 3.15Å; L205-A208 VanDerWaalsContact O-N 3.13Å; D206-A208 PolarHBondContact O-N 3.41Å; A208-Q211 PolarHBondContact O-N 3.28Å; A208-S212 PolarHBondContact O-N 2.86Å; A208-S212 VanDerWaalsContact O-N 3.07Å
209N69.1Low73.1Confident96 Ų96103 Ų10351%0.51354%0.543SS..Hα-helixtrans-67.7-41.6180-131.33.7000111.7L205 D206 Q211 S212 I213L205-N209 PolarHBondContact O-N 2.88Å; D206-N209 PolarHBondContact O-N 2.92Å; N209-Q211 VanDerWaalsContact C-N 3.31Å; N209-Q211 PolarHBondContact O-N 3Å; N209-S212 PolarHBondContact O-N 2.74Å; N209-I213 WeakPolarHBondContact O-CG1 3.27Å; N209-I213 PolarHBondContact O-N 2.72Å; N209-I213 VanDerWaalsContact O-N 3.08Å
210I69.4Low73.3Confident101 Ų101100.5 Ų100.552%0.51854%0.539SS..Hα-helixtrans-59.7-42.2172.9-69.1167.7000110.8D206 S212 I213 M214D206-I210 VanDerWaalsContact O-CG1 3.27Å; D206-I210 WeakPolarHBondContact O-CG1 3.32Å; D206-I210 PolarHBondContact O-N 3.34Å; I210-S212 PolarHBondContact O-N 2.91Å; I210-I213 PolarHBondContact O-N 3.24Å; I210-M214 HydrophobicContact CG2-CG 4.28Å; I210-M214 HydrophobicContact CG2-SD 3.79Å; I210-M214 WeakPolarHBondContact O-CB 3.47Å; I210-M214 VanDerWaalsContact O-CG 3.24Å; I210-M214 WeakPolarHBondContact O-CG 3.47Å; I210-M214 PolarHBondContact O-N 3.45Å
211Q70.1Confident73.6Confident147 Ų14798.3 Ų98.369%0.68753%0.533SS*.Hα-helixtrans-64.8-38.7177.8-81.9-176.5-10.100113.3G207 A208 N209 A215G207-Q211 PolarHBondContact O-N 2.94Å; A208-Q211 PolarHBondContact O-N 3.28Å; N209-Q211 VanDerWaalsContact C-N 3.31Å; N209-Q211 PolarHBondContact O-N 3Å; Q211-A215 WeakPolarHBondContact O-CB 3.11Å; Q211-A215 PolarHBondContact O-N 2.77Å
212S73.3Confident74.1Confident81 Ų8198 Ų9857%0.56653%0.534SS*.Hα-helixtrans-66.7-42.7176.1-79.80000112.7A208 N209 I210 A215 S216A208-S212 PolarHBondContact O-N 2.86Å; A208-S212 VanDerWaalsContact O-N 3.07Å; N209-S212 PolarHBondContact O-N 2.74Å; I210-S212 PolarHBondContact O-N 2.91Å; S212-A215 PolarHBondContact O-N 3.35Å; S212-S216 PolarHBondContact O-N 2.63Å; S212-S216 VanDerWaalsContact O-N 3.1Å
213I69Low74.4Confident109 Ų10998.2 Ų98.256%0.55954%0.535SS*.Hα-helixtrans-64.4-45.6176.4-65.7172000110.1N209 I210 A215 S216 E217N209-I213 WeakPolarHBondContact O-CG1 3.27Å; N209-I213 PolarHBondContact O-N 2.72Å; N209-I213 VanDerWaalsContact O-N 3.08Å; I210-I213 PolarHBondContact O-N 3.24Å; I213-A215 VanDerWaalsContact C-N 3.26Å; I213-A215 PolarHBondContact O-N 3.37Å; I213-S216 PolarHBondContact O-N 2.86Å; I213-S216 VanDerWaalsContact O-N 3.15Å; I213-S216 PolarHBondContact O-OG 3.24Å; I213-E217 PolarHBondContact O-N 3.08Å; I213-E217 VanDerWaalsContact O-N 3.11Å
214M66.2Low74.8Confident110 Ų11097.1 Ų97.154%0.54253%0.532SS..Hα-helixtrans-62.4-29176-72.9-17868.500113.5I210I210-M214 HydrophobicContact CG2-CG 4.28Å; I210-M214 HydrophobicContact CG2-SD 3.79Å; I210-M214 WeakPolarHBondContact O-CB 3.47Å; I210-M214 VanDerWaalsContact O-CG 3.24Å; I210-M214 WeakPolarHBondContact O-CG 3.47Å; I210-M214 PolarHBondContact O-N 3.45Å
215A68.6Low75.2Confident56 Ų5697.3 Ų97.346%0.46353%0.525SS..Hα-helixtrans-72.7-39.1174.300000112.3Q211 S212 I213 Q219Q211-A215 WeakPolarHBondContact O-CB 3.11Å; Q211-A215 PolarHBondContact O-N 2.77Å; S212-A215 PolarHBondContact O-N 3.35Å; I213-A215 VanDerWaalsContact C-N 3.26Å; I213-A215 PolarHBondContact O-N 3.37Å; A215-Q219 PolarHBondContact O-N 2.75Å
216S69Low75.8Confident57 Ų5796.4 Ų96.440%0.39952%0.52SS..Hα-helixtrans-68.1-36176.866.40000113.7S212 I213 K218 Q219 V220S212-S216 PolarHBondContact O-N 2.63Å; S212-S216 VanDerWaalsContact O-N 3.1Å; I213-S216 PolarHBondContact O-N 2.86Å; I213-S216 VanDerWaalsContact O-N 3.15Å; I213-S216 PolarHBondContact O-OG 3.24Å; S216-K218 VanDerWaalsContact C-N 3.28Å; S216-K218 PolarHBondContact O-N 3.36Å; S216-Q219 PolarHBondContact O-N 2.66Å; S216-Q219 VanDerWaalsContact O-N 3.11Å; S216-V220 WeakPolarHBondContact O-CG2 3.26Å; S216-V220 PolarHBondContact O-N 3.4Å
217E76.4Confident76.5Confident120 Ų12097.1 Ų97.156%0.56152%0.524SS*.Hα-helixtrans-61.1-37.8178.1-172.9-175.8-179.100111.7I213 N221I213-E217 PolarHBondContact O-N 3.08Å; I213-E217 VanDerWaalsContact O-N 3.11Å; E217-N221 WeakPolarHBondContact O-CB 3.38Å; E217-N221 PolarHBondContact O-N 3.35Å; E217-N221 VanDerWaalsContact O-N 3.09Å; E217-N221 PolarHBondContact O-ND2 2.92Å
218K75.6Confident77.3Confident149 Ų149100.1 Ų100.165%0.64853%0.531SS*.Hα-helixtrans-66.5-39.1175.2-71.1-178.3179.8177.40112.3S216 I222S216-K218 VanDerWaalsContact C-N 3.28Å; S216-K218 PolarHBondContact O-N 3.36Å; K218-I222 WeakPolarHBondContact O-CD1 3.3Å; K218-I222 VanDerWaalsContact O-CG1 3.26Å; K218-I222 WeakPolarHBondContact O-CG1 3.19Å; K218-I222 PolarHBondContact O-N 2.98Å; K218-I222 VanDerWaalsContact O-N 3.14Å
219Q75Confident78.2Confident142 Ų142102.9 Ų102.966%0.66454%0.535SS*.Hα-helixtrans-69.8-39.3177.9-83.8175.3-25.200112.6A215 S216 I222 L223A215-Q219 PolarHBondContact O-N 2.75Å; S216-Q219 PolarHBondContact O-N 2.66Å; S216-Q219 VanDerWaalsContact O-N 3.11Å; Q219-I222 PolarHBondContact O-N 3.11Å; Q219-L223 PolarHBondContact O-N 3.45Å
220V80.8Confident79.1Confident84 Ų84100.7 Ų100.751%0.50953%0.531SS..Hα-helixtrans-65.3-40.9176174.10000111.2S216 I222 L223 M224S216-V220 WeakPolarHBondContact O-CG2 3.26Å; S216-V220 PolarHBondContact O-N 3.4Å; V220-I222 VanDerWaalsContact C-N 3.34Å; V220-I222 PolarHBondContact O-N 2.86Å; V220-L223 WeakPolarHBondContact O-CB 3.31Å; V220-L223 PolarHBondContact O-N 3.41Å; V220-M224 PolarHBondContact O-N 3.12Å
221N82.3Confident80.2Confident85 Ų85100.7 Ų100.746%0.45553%0.531SS..Hα-helixtrans-63.3-38.9175.2-80.1-52.6000112.5E217 L223 M224 Q225E217-N221 WeakPolarHBondContact O-CB 3.38Å; E217-N221 PolarHBondContact O-N 3.35Å; E217-N221 VanDerWaalsContact O-N 3.09Å; E217-N221 PolarHBondContact O-ND2 2.92Å; N221-L223 VanDerWaalsContact C-N 3.33Å; N221-M224 PolarHBondContact O-N 3.17Å; N221-Q225 WeakPolarHBondContact O-CB 3.42Å; N221-Q225 PolarHBondContact O-N 3.35Å
222I82.7Confident81.2Confident96 Ų9696 Ų9649%0.49252%0.517SS..Hα-helixtrans-63.8-40.6173.5-67.8163.6000110.6K218 Q219 V220 Q225 L226K218-I222 WeakPolarHBondContact O-CD1 3.3Å; K218-I222 VanDerWaalsContact O-CG1 3.26Å; K218-I222 WeakPolarHBondContact O-CG1 3.19Å; K218-I222 PolarHBondContact O-N 2.98Å; K218-I222 VanDerWaalsContact O-N 3.14Å; Q219-I222 PolarHBondContact O-N 3.11Å; V220-I222 VanDerWaalsContact C-N 3.34Å; V220-I222 PolarHBondContact O-N 2.86Å; I222-Q225 PolarHBondContact O-N 3.44Å; I222-L226 HydrophobicContact CG2-CD1 4.15Å; I222-L226 WeakPolarHBondContact O-CG 3.47Å; I222-L226 PolarHBondContact O-N 3.12Å
223L83.4Confident82.1Confident104 Ų10497.5 Ų97.555%0.54552%0.516SS..Hα-helixtrans-65.5-42.1177.7-17765.6000112.3Q219 V220 N221 Q225 L226 L227Q219-L223 PolarHBondContact O-N 3.45Å; V220-L223 WeakPolarHBondContact O-CB 3.31Å; V220-L223 PolarHBondContact O-N 3.41Å; N221-L223 VanDerWaalsContact C-N 3.33Å; L223-Q225 VanDerWaalsContact C-N 3.31Å; L223-Q225 PolarHBondContact O-N 3.44Å; L223-L226 PolarHBondContact O-N 2.85Å; L223-L227 PolarHBondContact O-N 3.48Å
224M84.7Confident83.2Confident103 Ų10396.3 Ų96.351%0.50751%0.513SS..Hα-helixtrans-59.5-44172.7-84-172.448.800111.4V220 N221 L226 L227 D228V220-M224 PolarHBondContact O-N 3.12Å; N221-M224 PolarHBondContact O-N 3.17Å; M224-L226 VanDerWaalsContact C-N 3.32Å; M224-L226 PolarHBondContact O-N 2.99Å; M224-L227 WeakPolarHBondContact O-CB 3.48Å; M224-L227 PolarHBondContact O-N 2.87Å; M224-L227 VanDerWaalsContact O-N 3.17Å; M224-D228 PolarHBondContact O-N 3.05Å
225Q88.4Confident84.5Confident115 Ų11596 Ų9654%0.53751%0.514SS..Hα-helixtrans-62.6-39.2177.4-168.8173.1-1.800112.1N221 I222 L223 D228 E229N221-Q225 WeakPolarHBondContact O-CB 3.42Å; N221-Q225 PolarHBondContact O-N 3.35Å; I222-Q225 PolarHBondContact O-N 3.44Å; L223-Q225 VanDerWaalsContact C-N 3.31Å; L223-Q225 PolarHBondContact O-N 3.44Å; Q225-D228 PolarHBondContact O-N 2.97Å; Q225-E229 WeakPolarHBondContact O-CB 3.38Å; Q225-E229 WeakPolarHBondContact O-CG 3.14Å; Q225-E229 PolarHBondContact O-N 2.9Å
226L88.6Confident85.6Confident96 Ų9696.2 Ų96.250%0.50351%0.509SS..Hα-helixtrans-67.8-34.2174.4-72.1169.9000112.8I222 L223 M224 A230I222-L226 HydrophobicContact CG2-CD1 4.15Å; I222-L226 WeakPolarHBondContact O-CG 3.47Å; I222-L226 PolarHBondContact O-N 3.12Å; L223-L226 PolarHBondContact O-N 2.85Å; M224-L226 VanDerWaalsContact C-N 3.32Å; M224-L226 PolarHBondContact O-N 2.99Å; L226-A230 VanDerWaalsContact O-CB 3.31Å; L226-A230 WeakPolarHBondContact O-CB 3.28Å; L226-A230 PolarHBondContact O-N 3.47Å
227L86.7Confident86.6Confident101 Ų10198 Ų9853%0.52951%0.513SS..Hα-helixtrans-68.7-42.2173.7-91.4161.5000111.7L223 M224 E229 A230 L231L223-L227 PolarHBondContact O-N 3.48Å; M224-L227 WeakPolarHBondContact O-CB 3.48Å; M224-L227 PolarHBondContact O-N 2.87Å; M224-L227 VanDerWaalsContact O-N 3.17Å; L227-E229 VanDerWaalsContact C-N 3.34Å; L227-A230 PolarHBondContact O-N 3.11Å; L227-L231 WeakPolarHBondContact O-CB 3.35Å; L227-L231 WeakPolarHBondContact O-CG 3.18Å; L227-L231 PolarHBondContact O-N 3.28Å
228D91.9Very high87.3Confident99 Ų9997.9 Ų97.953%0.52951%0.513SS..Hα-helixtrans-64.4-40.2174.9-72.2-24.1000111.1M224 Q225 L231 A232M224-D228 PolarHBondContact O-N 3.05Å; Q225-D228 PolarHBondContact O-N 2.97Å; D228-L231 PolarHBondContact O-N 3.28Å; D228-A232 WeakPolarHBondContact O-CB 3.19Å; D228-A232 PolarHBondContact O-N 3.29Å
229E90.4Very high88.2Confident109 Ų10992.9 Ų92.951%0.50950%0.504SS..Hα-helixtrans-63.1-41.5171.8-78.3176.3-169.500111.9Q225 L227 A232 E233Q225-E229 WeakPolarHBondContact O-CB 3.38Å; Q225-E229 WeakPolarHBondContact O-CG 3.14Å; Q225-E229 PolarHBondContact O-N 2.9Å; L227-E229 VanDerWaalsContact C-N 3.34Å; E229-A232 PolarHBondContact O-N 3.2Å; E229-E233 PolarHBondContact O-N 3.34Å
230A89.6Confident89Confident51 Ų5191.3 Ų91.342%0.42150%0.495SS..Hα-helixtrans-66.3-40.5176.400000112.2L226 L227 E233 V234L226-A230 VanDerWaalsContact O-CB 3.31Å; L226-A230 WeakPolarHBondContact O-CB 3.28Å; L226-A230 PolarHBondContact O-N 3.47Å; L227-A230 PolarHBondContact O-N 3.11Å; A230-E233 PolarHBondContact O-N 3.02Å; A230-V234 WeakPolarHBondContact O-CG2 3.4Å; A230-V234 PolarHBondContact O-N 3.48Å
231L91.2Very high89.5Confident100 Ų10092.4 Ų92.452%0.52450%0.497SS..Hα-helixtrans-64.1-44174.5-76.5170.8000111.2L227 D228 E233 V234 D235L227-L231 WeakPolarHBondContact O-CB 3.35Å; L227-L231 WeakPolarHBondContact O-CG 3.18Å; L227-L231 PolarHBondContact O-N 3.28Å; D228-L231 PolarHBondContact O-N 3.28Å; L231-E233 PolarHBondContact O-N 3.04Å; L231-V234 PolarHBondContact O-N 2.92Å; L231-V234 VanDerWaalsContact O-N 3.11Å; L231-D235 PolarHBondContact O-N 2.93Å
232A91.5Very high89.9Confident49 Ų4991.5 Ų91.541%0.40550%0.497SS..Hα-helixtrans-59.7-36.1174.900000112.1D228 E229 T236D228-A232 WeakPolarHBondContact O-CB 3.19Å; D228-A232 PolarHBondContact O-N 3.29Å; E229-A232 PolarHBondContact O-N 3.2Å; A232-T236 WeakPolarHBondContact O-CB 3.26Å; A232-T236 PolarHBondContact O-N 3.45Å; A232-T236 PolarHBondContact O-OG1 2.88Å
233E91.9Very high90.4Very high113 Ų11389.1 Ų89.153%0.52849%0.489SS..Hα-helixtrans-75.1-30.8174.5-72.3-62.5-121.600114.1E229 A230 L231 T236 I237E229-E233 PolarHBondContact O-N 3.34Å; A230-E233 PolarHBondContact O-N 3.02Å; L231-E233 PolarHBondContact O-N 3.04Å; E233-T236 PolarHBondContact O-N 3.34Å; E233-T236 WeakPolarHBondContact OE2-CB 3.09Å; E233-T236 PolarHBondContact OE2-OG1 2.93Å; E233-I237 VanDerWaalsContact O-CG1 3.27Å; E233-I237 WeakPolarHBondContact O-CG1 3.48Å; E233-I237 PolarHBondContact O-N 3.22Å
234V92Very high90.8Very high84 Ų8490.8 Ų90.851%0.50949%0.489SS..Hα-helixtrans-64.8-45.7170.3171.10000110.7A230 L231 T236 I237 E238A230-V234 WeakPolarHBondContact O-CG2 3.4Å; A230-V234 PolarHBondContact O-N 3.48Å; L231-V234 PolarHBondContact O-N 2.92Å; L231-V234 VanDerWaalsContact O-N 3.11Å; V234-T236 VanDerWaalsContact C-N 3.25Å; V234-T236 PolarHBondContact O-N 2.87Å; V234-I237 CarbonylContact O-C 3.57Å; V234-I237 WeakPolarHBondContact O-CA 3.28Å; V234-I237 WeakPolarHBondContact O-CB 3.26Å; V234-I237 PolarHBondContact O-N 3.47Å; V234-E238 PolarHBondContact O-N 3.14Å
235D93.3Very high91.1Very high103 Ų10392.7 Ų92.755%0.55150%0.497SS*.Hα-helixtrans-59.4-39.7175-73-14.4000111.1L231 I237 E238 G239L231-D235 PolarHBondContact O-N 2.93Å; D235-I237 VanDerWaalsContact C-N 3.34Å; D235-I237 PolarHBondContact O-N 3.1Å; D235-E238 PolarHBondContact O-N 3.1Å; D235-G239 PolarHBondContact O-N 3.47Å
236T91.9Very high91.3Very high60 Ų6094.3 Ų94.337%0.36850%0.504SS..Hα-helixtrans-64.8-37.5175.5-61.40000111.7A232 E233 V234 K240A232-T236 WeakPolarHBondContact O-CB 3.26Å; A232-T236 PolarHBondContact O-N 3.45Å; A232-T236 PolarHBondContact O-OG1 2.88Å; E233-T236 PolarHBondContact O-N 3.34Å; E233-T236 WeakPolarHBondContact OE2-CB 3.09Å; E233-T236 PolarHBondContact OE2-OG1 2.93Å; V234-T236 VanDerWaalsContact C-N 3.25Å; V234-T236 PolarHBondContact O-N 2.87Å; T236-K240 HydrophobicContact CG2-CD 4.48Å; T236-K240 VanDerWaalsContact O-CG 3.28Å; T236-K240 WeakPolarHBondContact O-CG 3.28Å; T236-K240 PolarHBondContact O-N 3.42Å
237I90.6Very high91.3Very high94 Ų9494.6 Ų94.648%0.48250%0.504SS..Hα-helixtrans-70.2-41.5174.7-70.4166.3000111.1E233 V234 D235 G239 K240 L241E233-I237 VanDerWaalsContact O-CG1 3.27Å; E233-I237 WeakPolarHBondContact O-CG1 3.48Å; E233-I237 PolarHBondContact O-N 3.22Å; V234-I237 CarbonylContact O-C 3.57Å; V234-I237 WeakPolarHBondContact O-CA 3.28Å; V234-I237 WeakPolarHBondContact O-CB 3.26Å; V234-I237 PolarHBondContact O-N 3.47Å; D235-I237 VanDerWaalsContact C-N 3.34Å; D235-I237 PolarHBondContact O-N 3.1Å; I237-G239 VanDerWaalsContact C-N 3.33Å; I237-G239 PolarHBondContact O-N 2.97Å; I237-K240 CarbonylContact O-C 3.25Å; I237-K240 WeakPolarHBondContact O-CB 3.39Å; I237-K240 PolarHBondContact O-N 2.84Å; I237-L241 HydrophobicContact CG2-CD1 4.01Å; I237-L241 HydrophobicContact CG2-CG 4.43Å; I237-L241 WeakPolarHBondContact O-CG 3.33Å; I237-L241 PolarHBondContact O-N 3.32Å
238E91.8Very high91.5Very high119 Ų11995.6 Ų95.656%0.55651%0.51SS*.Hα-helixtrans-63.1-41.1176.7-173.4172.4-171.700111.3V234 D235 L241 S242V234-E238 PolarHBondContact O-N 3.14Å; D235-E238 PolarHBondContact O-N 3.1Å; E238-L241 PolarHBondContact O-N 2.91Å; E238-S242 WeakPolarHBondContact O-CB 3.39Å; E238-S242 PolarHBondContact O-N 2.83Å; E238-S242 PolarHBondContact O-OG 2.8Å
239G93.3Very high91.4Very high44 Ų4494.9 Ų94.945%0.45450%0.503SS..Hα-helixtrans-60.7-43.5171.500000112.4D235 I237 S242 S243D235-G239 PolarHBondContact O-N 3.47Å; I237-G239 VanDerWaalsContact C-N 3.33Å; I237-G239 PolarHBondContact O-N 2.97Å; G239-S242 PolarHBondContact O-N 3.26Å; G239-S243 PolarHBondContact O-N 2.69Å
240K92Very high91.4Very high109 Ų10992.5 Ų92.547%0.47450%0.499SS..Hα-helixtrans-63.2-43.4174.4-73.9167.7-175.7165.20111.7T236 I237 S243 Y244T236-K240 HydrophobicContact CG2-CD 4.48Å; T236-K240 VanDerWaalsContact O-CG 3.28Å; T236-K240 WeakPolarHBondContact O-CG 3.28Å; T236-K240 PolarHBondContact O-N 3.42Å; I237-K240 CarbonylContact O-C 3.25Å; I237-K240 WeakPolarHBondContact O-CB 3.39Å; I237-K240 PolarHBondContact O-N 2.84Å; K240-S243 PolarHBondContact O-N 2.99Å; K240-S243 PolarHBondContact O-OG 3.31Å; K240-Y244 VanDerWaalsContact O-CD2 3.29Å; K240-Y244 WeakPolarHBondContact O-CD2 3.45Å; K240-Y244 PolarHBondContact O-N 2.69Å
241L90.3Very high91.5Very high107 Ų10794.1 Ų94.156%0.5650%0.503SS*.Hα-helixtrans-64-44.1178.1-79.6168.7000111.9I237 E238 S243 Y244 E245I237-L241 HydrophobicContact CG2-CD1 4.01Å; I237-L241 HydrophobicContact CG2-CG 4.43Å; I237-L241 WeakPolarHBondContact O-CG 3.33Å; I237-L241 PolarHBondContact O-N 3.32Å; E238-L241 PolarHBondContact O-N 2.91Å; L241-S243 VanDerWaalsContact C-N 3.3Å; L241-S243 PolarHBondContact O-N 3.2Å; L241-Y244 PolarHBondContact O-N 2.95Å; L241-Y244 VanDerWaalsContact O-N 3.12Å; L241-E245 PolarHBondContact O-N 3.42Å
242S92.2Very high91.5Very high65 Ų6593.7 Ų93.746%0.45550%0.497SS..Hα-helixtrans-59.4-42.5174.9-60.60000111.2E238 G239 Y244 E245 E246E238-S242 WeakPolarHBondContact O-CB 3.39Å; E238-S242 PolarHBondContact O-N 2.83Å; E238-S242 PolarHBondContact O-OG 2.8Å; G239-S242 PolarHBondContact O-N 3.26Å; S242-Y244 VanDerWaalsContact C-N 3.34Å; S242-Y244 PolarHBondContact O-N 2.83Å; S242-E245 PolarHBondContact O-N 3.04Å; S242-E246 PolarHBondContact O-N 3.27Å
243S92Very high91.4Very high47 Ų4795 Ų9533%0.32950%0.497SS..Hα-helixtrans-63.6-37.8175.381.90000112.8G239 K240 L241 M247G239-S243 PolarHBondContact O-N 2.69Å; K240-S243 PolarHBondContact O-N 2.99Å; K240-S243 PolarHBondContact O-OG 3.31Å; L241-S243 VanDerWaalsContact C-N 3.3Å; L241-S243 PolarHBondContact O-N 3.2Å; S243-M247 WeakPolarHBondContact O-CB 3.46Å; S243-M247 WeakPolarHBondContact O-CE 3.19Å; S243-M247 WeakPolarHBondContact O-CG 3.17Å; S243-M247 PolarHBondContact O-N 2.65Å
244Y91.8Very high91.3Very high138 Ų13894.8 Ų94.854%0.54150%0.496SS..Hα-helixtrans-69.2-38.1175.1-68.6-39.8000112.1K240 L241 S242 M247 L248K240-Y244 VanDerWaalsContact O-CD2 3.29Å; K240-Y244 WeakPolarHBondContact O-CD2 3.45Å; K240-Y244 PolarHBondContact O-N 2.69Å; L241-Y244 PolarHBondContact O-N 2.95Å; L241-Y244 VanDerWaalsContact O-N 3.12Å; S242-Y244 VanDerWaalsContact C-N 3.34Å; S242-Y244 PolarHBondContact O-N 2.83Å; Y244-M247 HydrophobicContact CD1-CE 3.51Å; Y244-M247 HydrophobicContact CE1-CE 3.95Å; Y244-M247 PolarHBondContact O-N 3.34Å; Y244-L248 WeakPolarHBondContact O-CB 3.09Å; Y244-L248 VanDerWaalsContact O-CG 3.22Å; Y244-L248 WeakPolarHBondContact O-CG 3.42Å; Y244-L248 PolarHBondContact O-N 3.08Å
245E91.3Very high91.1Very high143 Ų14394.5 Ų94.567%0.66849%0.49SS*.Hα-helixtrans-65.8-43176.3-171.4165-16400111.6L241 S242 L248 Q249L241-E245 PolarHBondContact O-N 3.42Å; S242-E245 PolarHBondContact O-N 3.04Å; E245-L248 PolarHBondContact O-N 3.44Å; E245-Q249 WeakPolarHBondContact O-CB 3.48Å; E245-Q249 PolarHBondContact O-N 2.81Å
246E92.1Very high90.9Very high149 Ų14992.2 Ų92.270%0.69648%0.478SS*.Hα-helixtrans-61.9-44.6174.6-169.1178.9-172.700111.5S242 L248 Q249 S250S242-E246 PolarHBondContact O-N 3.27Å; E246-L248 PolarHBondContact O-N 3.33Å; E246-Q249 PolarHBondContact O-N 3.31Å; E246-S250 WeakPolarHBondContact O-CB 3.17Å; E246-S250 PolarHBondContact O-N 3.18Å
247M90.3Very high90.8Very high102 Ų10295.6 Ų95.650%0.50249%0.49SS..Hα-helixtrans-60.6-42.5173.6-79.7-173-87.700112.1S243 Y244 S250 V251S243-M247 WeakPolarHBondContact O-CB 3.46Å; S243-M247 WeakPolarHBondContact O-CE 3.19Å; S243-M247 WeakPolarHBondContact O-CG 3.17Å; S243-M247 PolarHBondContact O-N 2.65Å; Y244-M247 HydrophobicContact CD1-CE 3.51Å; Y244-M247 HydrophobicContact CE1-CE 3.95Å; Y244-M247 PolarHBondContact O-N 3.34Å; M247-S250 PolarHBondContact O-N 3.4Å; M247-V251 VanDerWaalsContact O-CG2 3.28Å; M247-V251 WeakPolarHBondContact O-CG2 3.48Å; M247-V251 PolarHBondContact O-N 2.73Å
248L89.6Confident90.7Very high123 Ų12395.5 Ų95.564%0.64449%0.489SS*.Hα-helixtrans-67-37.4178.3-76171.2000112.4Y244 E245 E246 V251 K252Y244-L248 WeakPolarHBondContact O-CB 3.09Å; Y244-L248 VanDerWaalsContact O-CG 3.22Å; Y244-L248 WeakPolarHBondContact O-CG 3.42Å; Y244-L248 PolarHBondContact O-N 3.08Å; E245-L248 PolarHBondContact O-N 3.44Å; E246-L248 PolarHBondContact O-N 3.33Å; L248-V251 PolarHBondContact O-N 3.4Å; L248-K252 WeakPolarHBondContact O-CB 3.39Å; L248-K252 PolarHBondContact O-N 2.83Å
249Q90.1Very high90.4Very high83 Ų8391.1 Ų91.139%0.38847%0.472SS..Hα-helixtrans-67.5-42.6175.5-175.651.643.500110.8E245 E246 V251 K252 D253E245-Q249 WeakPolarHBondContact O-CB 3.48Å; E245-Q249 PolarHBondContact O-N 2.81Å; E246-Q249 PolarHBondContact O-N 3.31Å; Q249-V251 PolarHBondContact O-N 2.93Å; Q249-K252 WeakPolarHBondContact O-CB 3.25Å; Q249-K252 PolarHBondContact O-N 2.7Å; Q249-D253 VanDerWaalsContact NE2-CG 3.34Å; Q249-D253 PolarHBondContact NE2-OD1 2.93Å; Q249-D253 PolarHBondContact NE2-OD2 3.33Å; Q249-D253 VanDerWaalsContact NE2-OD2 3.12Å; Q249-D253 PolarHBondContact O-N 3.37Å
250S91.7Very high90.1Very high60 Ų6095.3 Ų95.342%0.4248%0.479SS..Hα-helixtrans-59.1-46.5172.4-172.90000112.3E246 M247 K252 D253 Q254E246-S250 WeakPolarHBondContact O-CB 3.17Å; E246-S250 PolarHBondContact O-N 3.18Å; M247-S250 PolarHBondContact O-N 3.4Å; S250-K252 VanDerWaalsContact C-N 3.3Å; S250-K252 PolarHBondContact O-N 3.21Å; S250-D253 PolarHBondContact O-N 3.38Å; S250-Q254 WeakPolarHBondContact O-CB 3.35Å; S250-Q254 WeakPolarHBondContact O-CG 3.4Å; S250-Q254 PolarHBondContact O-N 3.11Å
251V91.6Very high90Very high85 Ų8592.9 Ų92.952%0.51548%0.476SS..Hα-helixtrans-62.9-37176.2169.30000111.5M247 L248 Q249 M255M247-V251 VanDerWaalsContact O-CG2 3.28Å; M247-V251 WeakPolarHBondContact O-CG2 3.48Å; M247-V251 PolarHBondContact O-N 2.73Å; L248-V251 PolarHBondContact O-N 3.4Å; Q249-V251 PolarHBondContact O-N 2.93Å; V251-M255 VanDerWaalsContact O-CB 3.27Å; V251-M255 WeakPolarHBondContact O-CB 3.33Å; V251-M255 PolarHBondContact O-N 3.39Å
252K89.8Confident90Very high91 Ų9191.5 Ų91.540%0.39647%0.469SS..Hα-helixtrans-65.1-45.3175.7174.8177.9173.3-164.20111.6L248 Q249 S250 Q254 M255 D256L248-K252 WeakPolarHBondContact O-CB 3.39Å; L248-K252 PolarHBondContact O-N 2.83Å; Q249-K252 WeakPolarHBondContact O-CB 3.25Å; Q249-K252 PolarHBondContact O-N 2.7Å; S250-K252 VanDerWaalsContact C-N 3.3Å; S250-K252 PolarHBondContact O-N 3.21Å; K252-Q254 VanDerWaalsContact C-N 3.35Å; K252-M255 PolarHBondContact O-N 3.11Å; K252-D256 PolarHBondContact O-N 3.41Å
253D90.1Very high89.9Confident75 Ų7596.8 Ų96.840%0.40148%0.479SS..Hα-helixtrans-65.8-39.9178.7-66.4-25.2000111.1Q249 S250 D256 Q257Q249-D253 VanDerWaalsContact NE2-CG 3.34Å; Q249-D253 PolarHBondContact NE2-OD1 2.93Å; Q249-D253 PolarHBondContact NE2-OD2 3.33Å; Q249-D253 VanDerWaalsContact NE2-OD2 3.12Å; Q249-D253 PolarHBondContact O-N 3.37Å; S250-D253 PolarHBondContact O-N 3.38Å; D253-D256 PolarHBondContact O-N 3.15Å; D253-Q257 VanDerWaalsContact O-CG 3.32Å; D253-Q257 WeakPolarHBondContact O-CG 3.27Å; D253-Q257 PolarHBondContact O-N 2.84Å
254Q89.4Confident89.9Confident109 Ų109100.4 Ų100.451%0.50949%0.494SS..Hα-helixtrans-62.2-43.4170.9-72179.3-2.200112.1S250 K252 D256 Q257 I258S250-Q254 WeakPolarHBondContact O-CB 3.35Å; S250-Q254 WeakPolarHBondContact O-CG 3.4Å; S250-Q254 PolarHBondContact O-N 3.11Å; K252-Q254 VanDerWaalsContact C-N 3.35Å; Q254-D256 PolarHBondContact O-N 2.86Å; Q254-Q257 PolarHBondContact O-N 3.32Å; Q254-I258 VanDerWaalsContact O-CG1 3.25Å; Q254-I258 WeakPolarHBondContact O-CG1 3.27Å; Q254-I258 PolarHBondContact O-N 2.97Å
255M88.1Confident89.9Confident78 Ų7897.6 Ų97.638%0.38449%0.488SS..Hα-helixtrans-64.8-38.3178-176.763.8-173.100112.2V251 K252 I258 S259V251-M255 VanDerWaalsContact O-CB 3.27Å; V251-M255 WeakPolarHBondContact O-CB 3.33Å; V251-M255 PolarHBondContact O-N 3.39Å; K252-M255 PolarHBondContact O-N 3.11Å; M255-I258 PolarHBondContact O-N 3.07Å; M255-S259 WeakPolarHBondContact O-CB 3.15Å; M255-S259 PolarHBondContact O-N 3.37Å
256D89.1Confident89.8Confident55 Ų5596.7 Ų96.729%0.29448%0.484SS..Hα-helixtrans-69.3-38.5177.2-73.3-15.4000110.9K252 D253 Q254 S259 Q260K252-D256 PolarHBondContact O-N 3.41Å; D253-D256 PolarHBondContact O-N 3.15Å; Q254-D256 PolarHBondContact O-N 2.86Å; D256-S259 PolarHBondContact O-N 3.35Å; D256-Q260 WeakPolarHBondContact O-CB 3.16Å; D256-Q260 VanDerWaalsContact O-CG 3.3Å; D256-Q260 WeakPolarHBondContact O-CG 3.27Å; D256-Q260 PolarHBondContact O-N 2.99Å
257Q90.7Very high89.9Confident132 Ų13293.4 Ų93.462%0.61747%0.47SS*.Hα-helixtrans-61.5-43.6170.4-72.4175.714.700112D253 Q254 Q260 S261D253-Q257 VanDerWaalsContact O-CG 3.32Å; D253-Q257 WeakPolarHBondContact O-CG 3.27Å; D253-Q257 PolarHBondContact O-N 2.84Å; Q254-Q257 PolarHBondContact O-N 3.32Å; Q257-Q260 PolarHBondContact O-N 3.02Å; Q257-S261 WeakPolarHBondContact O-CB 3.45Å; Q257-S261 PolarHBondContact O-N 2.79Å
258I86.8Confident90Very high91 Ų9191.2 Ų91.247%0.46746%0.464SS..Hα-helixtrans-64.9-42176.5-68.3165.1000111Q254 M255 S261 N262Q254-I258 VanDerWaalsContact O-CG1 3.25Å; Q254-I258 WeakPolarHBondContact O-CG1 3.27Å; Q254-I258 PolarHBondContact O-N 2.97Å; M255-I258 PolarHBondContact O-N 3.07Å; I258-S261 WeakPolarHBondContact O-CB 3.34Å; I258-S261 PolarHBondContact O-N 3.06Å; I258-N262 WeakPolarHBondContact O-CB 3.4Å; I258-N262 PolarHBondContact O-N 3.08Å
259S85.9Confident90.1Very high27 Ų2790.1 Ų90.119%0.18946%0.459CS..Hα-helixtrans-62.5-44.7176.9177.40000111.9R46 M255 D256 S261 N262 R263R46-S259 PolarHBondContact O-OG 2.97Å; M255-S259 WeakPolarHBondContact O-CB 3.15Å; M255-S259 PolarHBondContact O-N 3.37Å; D256-S259 PolarHBondContact O-N 3.35Å; S259-S261 PolarHBondContact O-N 3.43Å; S259-N262 PolarHBondContact O-N 2.98Å; S259-R263 WeakPolarHBondContact O-CB 3.5Å; S259-R263 PolarHBondContact O-N 2.96Å
260Q88.4Confident90.2Very high132 Ų13289.4 Ų89.462%0.61746%0.461SS*.Hα-helixtrans-61.6-43.9174.2-71.3176.91700111.6D256 Q257 R263 L264D256-Q260 WeakPolarHBondContact O-CB 3.16Å; D256-Q260 VanDerWaalsContact O-CG 3.3Å; D256-Q260 WeakPolarHBondContact O-CG 3.27Å; D256-Q260 PolarHBondContact O-N 2.99Å; Q257-Q260 PolarHBondContact O-N 3.02Å; Q260-R263 PolarHBondContact O-N 3.41Å; Q260-L264 WeakPolarHBondContact O-CG 3.42Å; Q260-L264 PolarHBondContact O-N 2.89Å
261S89.6Confident90.3Very high58 Ų5890.7 Ų90.741%0.40646%0.463SS..Hα-helixtrans-60.2-48.7175.2-173.40000111.8Q257 I258 S259 R263 L264 I265Q257-S261 WeakPolarHBondContact O-CB 3.45Å; Q257-S261 PolarHBondContact O-N 2.79Å; I258-S261 WeakPolarHBondContact O-CB 3.34Å; I258-S261 PolarHBondContact O-N 3.06Å; S259-S261 PolarHBondContact O-N 3.43Å; S261-R263 VanDerWaalsContact C-N 3.34Å; S261-R263 PolarHBondContact O-N 3.38Å; S261-L264 WeakPolarHBondContact O-CB 3.17Å; S261-L264 PolarHBondContact O-N 3.28Å; S261-L264 VanDerWaalsContact O-N 3.12Å; S261-I265 WeakPolarHBondContact O-CG1 3.43Å; S261-I265 PolarHBondContact O-N 2.9Å
262N90.6Very high90.4Very high78 Ų7890.7 Ų90.742%0.41746%0.46SS..Hα-helixtrans-61.5-39.6177.7-80.1-7.6000112.4I258 S259 L264 I265 Q266I258-N262 WeakPolarHBondContact O-CB 3.4Å; I258-N262 PolarHBondContact O-N 3.08Å; S259-N262 PolarHBondContact O-N 2.98Å; N262-L264 VanDerWaalsContact C-N 3.34Å; N262-L264 PolarHBondContact O-N 3.34Å; N262-I265 PolarHBondContact O-N 3.16Å; N262-Q266 WeakPolarHBondContact O-CB 3.37Å; N262-Q266 PolarHBondContact O-N 2.76Å
263R89.6Confident90.5Very high177 Ų17787.8 Ų87.867%0.66846%0.456SS*.Hα-helixtrans-61.5-43174.1-177.1179176.3-173.7-1.5111.6S259 Q260 S261 I265 Q266 I267S259-R263 WeakPolarHBondContact O-CB 3.5Å; S259-R263 PolarHBondContact O-N 2.96Å; Q260-R263 PolarHBondContact O-N 3.41Å; S261-R263 VanDerWaalsContact C-N 3.34Å; S261-R263 PolarHBondContact O-N 3.38Å; R263-I265 VanDerWaalsContact C-N 3.35Å; R263-Q266 PolarHBondContact O-N 3.24Å; R263-I267 HydrophobicContact CG-CD1 4.13Å; R263-I267 VanDerWaalsContact O-CG1 3.28Å; R263-I267 WeakPolarHBondContact O-CG1 3.43Å; R263-I267 PolarHBondContact O-N 3.19Å
264L92.1Very high90.5Very high122 Ų12290.8 Ų90.864%0.63947%0.465SS*.Hα-helixtrans-63.9-40.8175-69.6173.9000111.4Q260 S261 N262 I267 S268Q260-L264 WeakPolarHBondContact O-CG 3.42Å; Q260-L264 PolarHBondContact O-N 2.89Å; S261-L264 WeakPolarHBondContact O-CB 3.17Å; S261-L264 PolarHBondContact O-N 3.28Å; S261-L264 VanDerWaalsContact O-N 3.12Å; N262-L264 VanDerWaalsContact C-N 3.34Å; N262-L264 PolarHBondContact O-N 3.34Å; L264-I267 PolarHBondContact O-N 3.01Å; L264-S268 VanDerWaalsContact O-CB 3.29Å; L264-S268 WeakPolarHBondContact O-CB 3.46Å; L264-S268 PolarHBondContact O-N 3.18Å
265I90.4Very high90.5Very high80 Ų8090.3 Ų90.341%0.4147%0.466SS..Hα-helixtrans-62.6-43.2175.1-67.7165.2000110.8S261 N262 R263 S268 N269S261-I265 WeakPolarHBondContact O-CG1 3.43Å; S261-I265 PolarHBondContact O-N 2.9Å; N262-I265 PolarHBondContact O-N 3.16Å; R263-I265 VanDerWaalsContact C-N 3.35Å; I265-S268 WeakPolarHBondContact O-CB 3.32Å; I265-S268 PolarHBondContact O-N 3.3Å; I265-N269 WeakPolarHBondContact O-CB 3.38Å; I265-N269 VanDerWaalsContact O-CG 3.31Å; I265-N269 PolarHBondContact O-N 3.45Å
266Q90.9Very high90.6Very high124 Ų12491.7 Ų91.758%0.57947%0.474SS*.Hα-helixtrans-65.6-41.4178.7-169.9-176.810.700111.9N262 R263 S268 N269 T270N262-Q266 WeakPolarHBondContact O-CB 3.37Å; N262-Q266 PolarHBondContact O-N 2.76Å; R263-Q266 PolarHBondContact O-N 3.24Å; Q266-S268 VanDerWaalsContact C-N 3.35Å; Q266-N269 PolarHBondContact O-N 3.49Å; Q266-T270 WeakPolarHBondContact O-CB 3.24Å; Q266-T270 PolarHBondContact O-N 3.01Å; Q266-T270 PolarHBondContact O-OG1 3.4Å
267I92.3Very high90.6Very high80 Ų8093.9 Ų93.941%0.4149%0.486SS..Hα-helixtrans-62.4-45.8173.5-68.1166.6000109.7R263 L264 T270 N271R263-I267 HydrophobicContact CG-CD1 4.13Å; R263-I267 VanDerWaalsContact O-CG1 3.28Å; R263-I267 WeakPolarHBondContact O-CG1 3.43Å; R263-I267 PolarHBondContact O-N 3.19Å; L264-I267 PolarHBondContact O-N 3.01Å; I267-T270 PolarHBondContact O-N 3Å; I267-N271 WeakPolarHBondContact O-CB 3.22Å; I267-N271 PolarHBondContact O-N 3.4Å; I267-N271 PolarHBondContact O-ND2 2.99Å
268S92.9Very high90.3Very high55 Ų5589.8 Ų89.839%0.38547%0.467SS..Hα-helixtrans-58.4-48.3176.1-175.20000111.6L264 I265 Q266 T270 N271 N272L264-S268 VanDerWaalsContact O-CB 3.29Å; L264-S268 WeakPolarHBondContact O-CB 3.46Å; L264-S268 PolarHBondContact O-N 3.18Å; I265-S268 WeakPolarHBondContact O-CB 3.32Å; I265-S268 PolarHBondContact O-N 3.3Å; Q266-S268 VanDerWaalsContact C-N 3.35Å; S268-T270 PolarHBondContact O-N 3.47Å; S268-N271 PolarHBondContact O-N 2.84Å; S268-N272 WeakPolarHBondContact O-CB 3.43Å; S268-N272 PolarHBondContact O-N 3.14Å; S268-N272 PolarHBondContact O-ND2 3.32Å
269N92.1Very high90.3Very high100 Ų10089.4 Ų89.454%0.53547%0.465SS..Hα-helixtrans-63.2-40.6177.7-75.2-17.4000112.3I265 Q266 N272 G273I265-N269 WeakPolarHBondContact O-CB 3.38Å; I265-N269 VanDerWaalsContact O-CG 3.31Å; I265-N269 PolarHBondContact O-N 3.45Å; Q266-N269 PolarHBondContact O-N 3.49Å; N269-N272 PolarHBondContact O-N 3.28Å; N269-G273 PolarHBondContact O-N 3.16Å
270T92.2Very high90.3Very high69 Ų6993.1 Ų93.142%0.42348%0.479SS..Hα-helixtrans-65.1-42.1176.2-560000111Q266 I267 S268 G273 K274Q266-T270 WeakPolarHBondContact O-CB 3.24Å; Q266-T270 PolarHBondContact O-N 3.01Å; Q266-T270 PolarHBondContact O-OG1 3.4Å; I267-T270 PolarHBondContact O-N 3Å; S268-T270 PolarHBondContact O-N 3.47Å; T270-G273 PolarHBondContact O-N 3.02Å; T270-K274 WeakPolarHBondContact O-CG 3.28Å; T270-K274 PolarHBondContact O-N 3.47Å
271N93.3Very high90.3Very high86 Ų8688.6 Ų88.646%0.4646%0.458SS..Hα-helixtrans-66.6-41.8176.3-70-13.2000111.3I267 S268 G273 K274 L275I267-N271 WeakPolarHBondContact O-CB 3.22Å; I267-N271 PolarHBondContact O-N 3.4Å; I267-N271 PolarHBondContact O-ND2 2.99Å; S268-N271 PolarHBondContact O-N 2.84Å; N271-G273 VanDerWaalsContact C-N 3.33Å; N271-G273 PolarHBondContact O-N 2.91Å; N271-K274 PolarHBondContact O-N 2.85Å; N271-L275 VanDerWaalsContact O-CB 3.28Å; N271-L275 WeakPolarHBondContact O-CB 3.28Å; N271-L275 PolarHBondContact O-N 3.44Å
272N93.3Very high90Very high86 Ų8687.4 Ų87.446%0.4645%0.447SS..Hα-helixtrans-62.4-39.4175.2-71.2-22.9000111.6S268 N269 L275 L276S268-N272 WeakPolarHBondContact O-CB 3.43Å; S268-N272 PolarHBondContact O-N 3.14Å; S268-N272 PolarHBondContact O-ND2 3.32Å; N269-N272 PolarHBondContact O-N 3.28Å; N272-L275 PolarHBondContact O-N 3.32Å; N272-L276 WeakPolarHBondContact O-CB 3.34Å; N272-L276 PolarHBondContact O-N 2.94Å
273G93.4Very high89.7Confident30 Ų3087.8 Ų87.831%0.30945%0.451SS..Hα-helixtrans-62.2-49.6173.800000112.3N269 T270 N271 L275 L276 D277N269-G273 PolarHBondContact O-N 3.16Å; T270-G273 PolarHBondContact O-N 3.02Å; N271-G273 VanDerWaalsContact C-N 3.33Å; N271-G273 PolarHBondContact O-N 2.91Å; G273-L275 VanDerWaalsContact C-N 3.31Å; G273-L275 PolarHBondContact O-N 2.58Å; G273-L276 WeakPolarHBondContact O-CB 3.43Å; G273-L276 PolarHBondContact O-N 3.13Å; G273-D277 PolarHBondContact O-N 3.24Å
274K89.4Confident89.4Confident137 Ų13784.5 Ų84.560%0.59645%0.447SS*.Hα-helixtrans-61.6-38.7176-70.5176.8-179.6178.20112.7T270 N271 D277 E278T270-K274 WeakPolarHBondContact O-CG 3.28Å; T270-K274 PolarHBondContact O-N 3.47Å; N271-K274 PolarHBondContact O-N 2.85Å; K274-D277 PolarHBondContact O-N 2.86Å; K274-E278 PolarHBondContact O-N 2.85Å; K274-E278 VanDerWaalsContact O-N 3.1Å
275L88.8Confident88.8Confident100 Ų10084.5 Ų84.552%0.52444%0.44SS..Hα-helixtrans-65.8-41.9176.6-178.863.9000111N271 N272 G273 E278 I279N271-L275 VanDerWaalsContact O-CB 3.28Å; N271-L275 WeakPolarHBondContact O-CB 3.28Å; N271-L275 PolarHBondContact O-N 3.44Å; N272-L275 PolarHBondContact O-N 3.32Å; G273-L275 VanDerWaalsContact C-N 3.31Å; G273-L275 PolarHBondContact O-N 2.58Å; L275-E278 PolarHBondContact O-N 3.33Å; L275-I279 HydrophobicContact CD1-CD1 4.21Å; L275-I279 HydrophobicContact CD1-CG1 4.41Å; L275-I279 HydrophobicContact CG-CD1 3.91Å; L275-I279 HydrophobicContact CG-CG1 4.49Å; L275-I279 VanDerWaalsContact O-CG1 3.29Å; L275-I279 WeakPolarHBondContact O-CG1 3.27Å; L275-I279 PolarHBondContact O-N 2.91Å
276L91.5Very high88.3Confident107 Ų10781.6 Ų81.656%0.5642%0.424SS*.Hα-helixtrans-61.8-44.8175.8-178.264.9000111.3N272 G273 E278 I279 Q280N272-L276 WeakPolarHBondContact O-CB 3.34Å; N272-L276 PolarHBondContact O-N 2.94Å; G273-L276 WeakPolarHBondContact O-CB 3.43Å; G273-L276 PolarHBondContact O-N 3.13Å; L276-E278 VanDerWaalsContact C-N 3.28Å; L276-E278 PolarHBondContact O-N 3.13Å; L276-I279 PolarHBondContact O-N 3.1Å; L276-Q280 VanDerWaalsContact O-CB 3.28Å; L276-Q280 WeakPolarHBondContact O-CB 3.41Å; L276-Q280 PolarHBondContact O-N 3.13Å
277D88.2Confident87.9Confident100 Ų10080.9 Ų80.954%0.53543%0.425SS..Hα-helixtrans-58.9-40.7176.5-69.3-22.4000111.6G273 K274 F281G273-D277 PolarHBondContact O-N 3.24Å; K274-D277 PolarHBondContact O-N 2.86Å; D277-F281 WeakPolarHBondContact O-CB 3.38Å; D277-F281 PolarHBondContact O-N 2.85Å
278E85.4Confident87.6Confident46 Ų4677.3 Ų77.322%0.21541%0.407CS..Hα-helixtrans-71.9-40.9178.9-158.861.1-10600112.4K274 L275 L276 Q280 F281 L282 R326 H329K274-E278 PolarHBondContact O-N 2.85Å; K274-E278 VanDerWaalsContact O-N 3.1Å; L275-E278 PolarHBondContact O-N 3.33Å; L276-E278 VanDerWaalsContact C-N 3.28Å; L276-E278 PolarHBondContact O-N 3.13Å; E278-Q280 VanDerWaalsContact C-N 3.32Å; E278-Q280 PolarHBondContact O-N 2.9Å; E278-F281 WeakPolarHBondContact O-CB 3.32Å; E278-F281 PolarHBondContact O-N 3.39Å; E278-L282 WeakPolarHBondContact O-CG 3.46Å; E278-L282 PolarHBondContact O-N 3.4Å; E278-R326 IonicContact OE1-CZ 2.79Å; E278-R326 IonicContact OE1-NE 3.66Å; E278-R326 IonicContact OE1-NH1 3.82Å; E278-R326 IonicContact OE2-CZ 3.99Å; E278-R326 IonicContact OE2-NE 3.3Å; E278-R326 IonicContact OE2-NH1 3.69Å; E278-R326 PolarHBondContact OE2-NH1 3.42Å; E278-H329 VanDerWaalsContact CD-NE2 3.26Å; E278-H329 IonicContact OE1-CE1 3.03Å; E278-H329 PolarHBondContact OE1-CE1 3.24Å; E278-H329 IonicContact OE1-NE2 2.95Å; E278-H329 PolarHBondContact OE1-NE2 3.14Å; E278-H329 IonicContact OE2-NE2 2.98Å
279I85.7Confident87.3Confident84 Ų8477.3 Ų77.343%0.43141%0.406SS..Hα-helixtrans-62.4-43.2173.3-69.8170.1000110.1L275 L276 F281 L282 V283L275-I279 HydrophobicContact CD1-CD1 4.21Å; L275-I279 HydrophobicContact CD1-CG1 4.41Å; L275-I279 HydrophobicContact CG-CD1 3.91Å; L275-I279 HydrophobicContact CG-CG1 4.49Å; L275-I279 VanDerWaalsContact O-CG1 3.29Å; L275-I279 WeakPolarHBondContact O-CG1 3.27Å; L275-I279 PolarHBondContact O-N 2.91Å; L276-I279 PolarHBondContact O-N 3.1Å; I279-F281 VanDerWaalsContact C-N 3.32Å; I279-F281 PolarHBondContact O-N 3.44Å; I279-L282 PolarHBondContact O-N 3.28Å; I279-V283 HydrophobicContact CG2-CG2 4.13Å; I279-V283 WeakPolarHBondContact O-CB 3.33Å; I279-V283 VanDerWaalsContact O-CG2 3.29Å; I279-V283 WeakPolarHBondContact O-CG2 3.43Å; I279-V283 PolarHBondContact O-N 3.42Å
280Q87.3Confident87Confident105 Ų10580.5 Ų80.549%0.49142%0.416SS..Hα-helixtrans-65.3-37.5179.2-170.7171.68.300111.7L276 E278 N284L276-Q280 VanDerWaalsContact O-CB 3.28Å; L276-Q280 WeakPolarHBondContact O-CB 3.41Å; L276-Q280 PolarHBondContact O-N 3.13Å; E278-Q280 VanDerWaalsContact C-N 3.32Å; E278-Q280 PolarHBondContact O-N 2.9Å; Q280-N284 VanDerWaalsContact O-CB 3.29Å; Q280-N284 WeakPolarHBondContact O-CB 3.47Å; Q280-N284 PolarHBondContact O-N 2.86Å; Q280-N284 PolarHBondContact O-ND2 3.07Å
281F86.9Confident86.8Confident37 Ų3779.3 Ų79.316%0.16242%0.417CS..Hα-helixtrans-59.4-52.9170.3176.3-95.8000111.1D277 E278 I279 V283 N284 Y285 V323 H329D277-F281 WeakPolarHBondContact O-CB 3.38Å; D277-F281 PolarHBondContact O-N 2.85Å; E278-F281 WeakPolarHBondContact O-CB 3.32Å; E278-F281 PolarHBondContact O-N 3.39Å; I279-F281 VanDerWaalsContact C-N 3.32Å; I279-F281 PolarHBondContact O-N 3.44Å; F281-V283 PolarHBondContact O-N 3.08Å; F281-N284 PolarHBondContact O-N 2.97Å; F281-Y285 AromaticContact CD2-CD2 3.53Å; F281-Y285 HydrophobicContact CD2-CD2 3.53Å; F281-Y285 AromaticContact CD2-CE2 3.7Å; F281-Y285 HydrophobicContact CD2-CE2 3.7Å; F281-Y285 AromaticContact CE2-CD2 3.63Å; F281-Y285 HydrophobicContact CE2-CD2 3.63Å; F281-Y285 AromaticContact CE2-CE2 3.84Å; F281-Y285 HydrophobicContact CE2-CE2 3.84Å; F281-Y285 HydrophobicContact CE2-CG 4.4Å; F281-Y285 HydrophobicContact CG-CD2 4.17Å; F281-Y285 HydrophobicContact CZ-CD2 4.34Å; F281-Y285 WeakPolarHBondContact O-CB 3.48Å; F281-Y285 VanDerWaalsContact O-CD2 3.26Å; F281-Y285 WeakPolarHBondContact O-CD2 3.4Å; F281-Y285 PolarHBondContact O-N 3.09Å; F281-Y285 VanDerWaalsContact O-N 3.17Å; F281-V323 HydrophobicContact CZ-CG1 4Å; F281-H329 AromaticContact CD1-CE1 3.77Å; F281-H329 AromaticContact CE1-CE1 3.75Å
282L84.2Confident86.6Confident33 Ų3377.7 Ų77.717%0.17341%0.407CS..Hα-helixtrans-61.8-43.8-179.2-68.7175000112.3E278 I279 N284 M286 L332 V335E278-L282 WeakPolarHBondContact O-CG 3.46Å; E278-L282 PolarHBondContact O-N 3.4Å; I279-L282 PolarHBondContact O-N 3.28Å; L282-N284 PolarHBondContact O-N 3.32Å; L282-M286 HydrophobicContact CD2-CG 4.4Å; L282-M286 WeakPolarHBondContact O-CA 3.46Å; L282-M286 WeakPolarHBondContact O-CB 3.49Å; L282-M286 PolarHBondContact O-N 3.34Å; L282-L332 HydrophobicContact CD1-CD1 3.94Å; L282-V335 HydrophobicContact CD1-CG2 4.32Å; L282-V335 HydrophobicContact CD2-CG2 3.92Å
283V83.9Confident86.4Confident85 Ų8575.5 Ų75.552%0.51539%0.394SS..Hα-helixtrans-65.5-40.9-179.31720000111.9I279 F281 D287I279-V283 HydrophobicContact CG2-CG2 4.13Å; I279-V283 WeakPolarHBondContact O-CB 3.33Å; I279-V283 VanDerWaalsContact O-CG2 3.29Å; I279-V283 WeakPolarHBondContact O-CG2 3.43Å; I279-V283 PolarHBondContact O-N 3.42Å; F281-V283 PolarHBondContact O-N 3.08Å; V283-D287 VanDerWaalsContact O-CB 3.25Å; V283-D287 WeakPolarHBondContact O-CB 3.46Å
284N83.5Confident86.1Confident109 Ų10981.6 Ų81.658%0.58341%0.408SS*.Hα-helixtrans-72.8-30.3-177.6-72.1-18.3000113.4Q280 F281 L282Q280-N284 VanDerWaalsContact O-CB 3.29Å; Q280-N284 WeakPolarHBondContact O-CB 3.47Å; Q280-N284 PolarHBondContact O-N 2.86Å; Q280-N284 PolarHBondContact O-ND2 3.07Å; F281-N284 PolarHBondContact O-N 2.97Å; L282-N284 PolarHBondContact O-N 3.32Å
285Y79.9Confident86.1Confident122 Ų12275.7 Ų75.748%0.47839%0.385SS..Hα-helixtrans-107-18.1-171.4-73.2-72.8000114.3F281 V323F281-Y285 AromaticContact CD2-CD2 3.53Å; F281-Y285 HydrophobicContact CD2-CD2 3.53Å; F281-Y285 AromaticContact CD2-CE2 3.7Å; F281-Y285 HydrophobicContact CD2-CE2 3.7Å; F281-Y285 AromaticContact CE2-CD2 3.63Å; F281-Y285 HydrophobicContact CE2-CD2 3.63Å; F281-Y285 AromaticContact CE2-CE2 3.84Å; F281-Y285 HydrophobicContact CE2-CE2 3.84Å; F281-Y285 HydrophobicContact CE2-CG 4.4Å; F281-Y285 HydrophobicContact CG-CD2 4.17Å; F281-Y285 HydrophobicContact CZ-CD2 4.34Å; F281-Y285 WeakPolarHBondContact O-CB 3.48Å; F281-Y285 VanDerWaalsContact O-CD2 3.26Å; F281-Y285 WeakPolarHBondContact O-CD2 3.4Å; F281-Y285 PolarHBondContact O-N 3.09Å; F281-Y285 VanDerWaalsContact O-N 3.17Å; Y285-V323 HydrophobicContact CD1-CG1 4.24Å; Y285-V323 HydrophobicContact CD1-CG2 4.07Å; Y285-V323 HydrophobicContact CG-CG1 4.16Å; Y285-V323 HydrophobicContact CG-CG2 4.46Å
286M79.6Confident86.1Confident18 Ų1871 Ų719%0.08936%0.36CS..Hα-helixtrans-111.49.8-179.6-60.8-71.1-62.800113.6L282 L325 V335 Q338 Q339 F342L282-M286 HydrophobicContact CD2-CG 4.4Å; L282-M286 WeakPolarHBondContact O-CA 3.46Å; L282-M286 WeakPolarHBondContact O-CB 3.49Å; L282-M286 PolarHBondContact O-N 3.34Å; M286-L325 HydrophobicContact SD-CD2 4.36Å; M286-V335 HydrophobicContact CE-CG1 4.25Å; M286-Q338 HydrophobicContact CB-CG 4.39Å; M286-Q338 HydrophobicContact CE-CB 3.97Å; M286-Q338 HydrophobicContact CE-CG 3.87Å; M286-Q338 WeakPolarHBondContact O-CG 3.38Å; M286-Q338 PolarHBondContact O-NE2 2.9Å; M286-Q339 HydrophobicContact CE-CG 3.93Å; M286-F342 HydrophobicContact CE-CD2 4.39Å; M286-F342 HydrophobicContact CE-CE2 3.88Å; M286-F342 WeakPolarHBondContact O-CZ 3.45Å; M286-F342 HydrophobicContact SD-CE2 4.35Å
287D81.9Confident86Confident109 Ų10970.2 Ų70.258%0.58335%0.354SS*.  trans-98.4134.3174.4-170.130.5000111.9V283V283-D287 VanDerWaalsContact O-CB 3.25Å; V283-D287 WeakPolarHBondContact O-CB 3.46Å
288L85.9Confident85.9Confident6 Ų672.3 Ų72.33%0.03136%0.36CS..  trans-122.3125.2175.6-174.169.8000108.3H292 I293 L296 A316 L317 F342 L345L288-H292 HydrophobicContact CD1-CB 3.78Å; L288-H292 HydrophobicContact CD2-CB 4.38Å; L288-H292 HydrophobicContact CG-CB 3.91Å; L288-I293 HydrophobicContact CB-CG1 4.48Å; L288-I293 HydrophobicContact CD2-CG1 3.82Å; L288-I293 HydrophobicContact CG-CG1 4.14Å; L288-L296 HydrophobicContact CD2-CD1 4.28Å; L288-A316 HydrophobicContact CD1-CB 3.87Å; L288-L317 HydrophobicContact CD2-CD1 4.16Å; L288-F342 HydrophobicContact CB-CE1 3.84Å; L288-F342 HydrophobicContact CB-CZ 4.37Å; L288-F342 HydrophobicContact CD2-CE1 4.32Å; L288-L345 HydrophobicContact CD2-CD1 4.27Å
289S88Confident85.7Confident54 Ų5470.9 Ų70.938%0.37836%0.358SS..  trans-57.3143.6-175.587.50000112.1G291 H292 I293S289-G291 PolarHBondContact O-N 3.39Å; S289-G291 PolarHBondContact OG-N 3.24Å; S289-H292 PolarHBondContact O-N 3.19Å; S289-H292 PolarHBondContact OG-CD2 3.13Å; S289-H292 PolarHBondContact OG-N 3.1Å; S289-H292 VanDerWaalsContact OG-N 3.16Å; S289-I293 PolarHBondContact O-N 2.81Å
290K85.6Confident85.6Confident168 Ų16870.2 Ų70.273%0.7336%0.355SS*.Hα-helixtrans-58.1-20.9175.4-65-176.6-179.11790113.1R294K290-R294 PolarHBondContact O-N 2.99Å; K290-R294 PolarHBondContact O-NE 3.36Å
291G87.3Confident85.5Confident44 Ų4465.5 Ų65.545%0.45433%0.333SS..Hα-helixtrans-73-44.4172.700000112.2S289 R294 A295S289-G291 PolarHBondContact O-N 3.39Å; S289-G291 PolarHBondContact OG-N 3.24Å; G291-R294 PolarHBondContact O-N 3.4Å; G291-A295 WeakPolarHBondContact O-CB 3.23Å; G291-A295 PolarHBondContact O-N 3.42Å
292H89.8Confident85.3Confident52 Ų5268.4 Ų68.424%0.24135%0.354CS..Hα-helixtrans-65.7-40.7175.7-66.2-47.4000112.1L288 S289 R294 A295 L296 A313L288-H292 HydrophobicContact CD1-CB 3.78Å; L288-H292 HydrophobicContact CD2-CB 4.38Å; L288-H292 HydrophobicContact CG-CB 3.91Å; S289-H292 PolarHBondContact O-N 3.19Å; S289-H292 PolarHBondContact OG-CD2 3.13Å; S289-H292 PolarHBondContact OG-N 3.1Å; S289-H292 VanDerWaalsContact OG-N 3.16Å; H292-R294 PolarHBondContact O-N 3.24Å; H292-A295 PolarHBondContact O-N 2.99Å; H292-L296 WeakPolarHBondContact O-CG 3.28Å; H292-L296 PolarHBondContact O-N 3.39Å; H292-A313 HydrophobicContact CB-CB 3.75Å; H292-A313 WeakPolarHBondContact ND1-CA 3.35Å
293I87.8Confident85.4Confident40 Ų4069 Ų6921%0.20536%0.361CS..Hα-helixtrans-59.2-47.9175.6-63.4171.4000110.7L288 S289 A295 L296 Q297 L345L288-I293 HydrophobicContact CB-CG1 4.48Å; L288-I293 HydrophobicContact CD2-CG1 3.82Å; L288-I293 HydrophobicContact CG-CG1 4.14Å; S289-I293 PolarHBondContact O-N 2.81Å; I293-A295 PolarHBondContact O-N 3.05Å; I293-L296 PolarHBondContact O-N 2.96Å; I293-Q297 WeakPolarHBondContact O-CG 3.45Å; I293-Q297 PolarHBondContact O-N 3.47Å; I293-L345 HydrophobicContact CG1-CD1 4.22Å; I293-L345 HydrophobicContact CG2-CD1 4.45Å; I293-L345 HydrophobicContact CG2-CD2 4.17Å
294R88.1Confident85.4Confident158 Ų15868 Ų6860%0.59636%0.356SS*.Hα-helixtrans-63.4-39.4176.3-82.9-172.7-91.4-179.3-9.1112.8K290 G291 H292 L296 Q297 E298 G299K290-R294 PolarHBondContact O-N 2.99Å; K290-R294 PolarHBondContact O-NE 3.36Å; G291-R294 PolarHBondContact O-N 3.4Å; H292-R294 PolarHBondContact O-N 3.24Å; R294-L296 VanDerWaalsContact C-N 3.34Å; R294-L296 PolarHBondContact O-N 3.25Å; R294-Q297 PolarHBondContact O-N 3.05Å; R294-E298 WeakPolarHBondContact O-CA 3.37Å; R294-E298 PolarHBondContact O-N 3.02Å; R294-G299 PolarHBondContact O-N 3.18Å
295A89.5Confident85.4Confident13 Ų1372.8 Ų72.811%0.10737%0.366CS..Hα-helixtrans-61.4-42176.200000112G291 H292 I293 G299 C310 A313G291-A295 WeakPolarHBondContact O-CB 3.23Å; G291-A295 PolarHBondContact O-N 3.42Å; H292-A295 PolarHBondContact O-N 2.99Å; I293-A295 PolarHBondContact O-N 3.05Å; A295-G299 WeakPolarHBondContact O-CA 3.3Å; A295-G299 PolarHBondContact O-N 3.24Å; A295-C310 PolarHBondContact O-SG 3.38Å; A295-C310 VanDerWaalsContact O-SG 3.37Å; A295-A313 HydrophobicContact CB-CB 3.88Å
296L88.4Confident85.8Confident2 Ų267.5 Ų67.51%0.0135%0.349CS..Hα-helixtrans-68.9-39178.1-67.7166.5000112.6L288 H292 I293 R294 A313 L317 F349L288-L296 HydrophobicContact CD2-CD1 4.28Å; H292-L296 WeakPolarHBondContact O-CG 3.28Å; H292-L296 PolarHBondContact O-N 3.39Å; I293-L296 PolarHBondContact O-N 2.96Å; R294-L296 VanDerWaalsContact C-N 3.34Å; R294-L296 PolarHBondContact O-N 3.25Å; L296-A313 HydrophobicContact CD1-CB 4.35Å; L296-A313 HydrophobicContact CD2-CB 4.12Å; L296-A313 HydrophobicContact CG-CB 3.84Å; L296-L317 HydrophobicContact CD1-CB 4.21Å; L296-L317 HydrophobicContact CD1-CD2 3.91Å; L296-F349 HydrophobicContact CB-CB 4.37Å; L296-F349 HydrophobicContact CB-CD2 4.48Å; L296-F349 HydrophobicContact CB-CG 4.49Å; L296-F349 HydrophobicContact CD2-CB 4.09Å; L296-F349 HydrophobicContact CD2-CD1 3.67Å; L296-F349 HydrophobicContact CD2-CD2 3.96Å; L296-F349 HydrophobicContact CD2-CE1 4.07Å; L296-F349 HydrophobicContact CD2-CE2 4.32Å; L296-F349 HydrophobicContact CD2-CG 3.63Å; L296-F349 HydrophobicContact CD2-CZ 4.38Å; L296-F349 WeakPolarHBondContact O-CD2 3.37Å
297Q88.6Confident86.2Confident90 Ų9066.9 Ų66.942%0.42135%0.346SS..Hα-helixtrans-79.1-47.4-178.2-69.7178.4-2900112.7I293 R294 L345 R352I293-Q297 WeakPolarHBondContact O-CG 3.45Å; I293-Q297 PolarHBondContact O-N 3.47Å; R294-Q297 PolarHBondContact O-N 3.05Å; Q297-L345 HydrophobicContact CG-CD2 3.76Å; Q297-R352 PolarHBondContact O-NH1 3.46Å; Q297-R352 VanDerWaalsContact O-NH1 3.13Å
298E85.8Confident86.5Confident143 Ų14368.1 Ų68.167%0.66835%0.348SS*.Hα-helixtrans-123.9-9.6-167.1-62.6177.2174.400113.8R294 D300 R352R294-E298 WeakPolarHBondContact O-CA 3.37Å; R294-E298 PolarHBondContact O-N 3.02Å; E298-D300 PolarHBondContact O-N 3.16Å; E298-R352 VanDerWaalsContact C-NH2 3.31Å; E298-R352 PolarHBondContact O-NH2 3.05Å; E298-R352 VanDerWaalsContact O-NH2 3.1Å
299G82.5Confident86.6Confident16 Ų1670 Ų7017%0.16536%0.364CS..  trans-59.3130.7-174.300000114.1R294 A295 L301 R352R294-G299 PolarHBondContact O-N 3.18Å; A295-G299 WeakPolarHBondContact O-CA 3.3Å; A295-G299 PolarHBondContact O-N 3.24Å; G299-L301 PolarHBondContact O-N 3.35Å; G299-R352 PolarHBondContact O-NH1 3.45Å; G299-R352 PolarHBondContact O-NH2 3.43Å
300D83.9Confident86.8Confident70 Ų7067.4 Ų67.437%0.37435%0.346SS..  trans-62.5128.9-177.3176.726.5000112.2E298 T302 S303 G306 I307E298-D300 PolarHBondContact O-N 3.16Å; D300-T302 VanDerWaalsContact CG-OG1 3.23Å; D300-T302 WeakPolarHBondContact OD1-CB 3.38Å; D300-T302 PolarHBondContact OD1-N 3.14Å; D300-T302 PolarHBondContact OD1-OG1 3.05Å; D300-T302 PolarHBondContact OD2-OG1 3.44Å; D300-T302 VanDerWaalsContact OD2-OG1 3.04Å; D300-S303 WeakPolarHBondContact OD2-CB 3.34Å; D300-S303 PolarHBondContact OD2-N 3.15Å; D300-G306 CarbonylContact O-C 3.29Å; D300-G306 WeakPolarHBondContact O-CA 3.24Å; D300-I307 PolarHBondContact O-N 2.81Å
301L84.7Confident87Confident6 Ų660.3 Ų60.33%0.03132%0.316CS..SBendtrans-97.51.9177.9-66.3173.6000112.8G299 C310 F349 R352 L353 H356 Y417 L420G299-L301 PolarHBondContact O-N 3.35Å; L301-C310 HydrophobicContact CD2-CB 4.15Å; L301-F349 HydrophobicContact CD2-CE2 4.23Å; L301-R352 HydrophobicContact CD1-CG 4.24Å; L301-L353 HydrophobicContact CD1-CD1 4.45Å; L301-H356 HydrophobicContact CD1-CB 3.8Å; L301-H356 PolarHBondContact O-NE2 3.06Å; L301-Y417 WeakPolarHBondContact O-CE1 3.44Å; L301-Y417 PolarHBondContact O-OH 3.2Å; L301-L420 HydrophobicContact CD2-CD1 4.36Å
302T83.1Confident87.1Confident99 Ų9960.9 Ų60.961%0.60731%0.314SS*.SBendtrans-96.3-37.4178.764.20000112.6D300D300-T302 VanDerWaalsContact CG-OG1 3.23Å; D300-T302 WeakPolarHBondContact OD1-CB 3.38Å; D300-T302 PolarHBondContact OD1-N 3.14Å; D300-T302 PolarHBondContact OD1-OG1 3.05Å; D300-T302 PolarHBondContact OD2-OG1 3.44Å; D300-T302 VanDerWaalsContact OD2-OG1 3.04Å
303S85.7Confident87.2Confident44 Ų4458.4 Ų58.431%0.30830%0.302SS..SBendtrans-79.6139.7178.21790000112.9D300 R305 G306 I307D300-S303 WeakPolarHBondContact OD2-CB 3.34Å; D300-S303 PolarHBondContact OD2-N 3.15Å; S303-R305 VanDerWaalsContact C-N 3.27Å; S303-R305 PolarHBondContact O-N 3.17Å; S303-G306 PolarHBondContact O-N 2.83Å; S303-I307 WeakPolarHBondContact O-CG1 3.48Å; S303-I307 PolarHBondContact O-N 3.15Å
304P83.4Confident87.4Confident64 Ų6456.6 Ų56.642%0.41629%0.293SS..Hα-helixtrans-53.7-41.4174.5-25.333.3000113.7G306 I307 E308P304-G306 VanDerWaalsContact C-N 3.33Å; P304-G306 PolarHBondContact O-N 3.49Å; P304-I307 PolarHBondContact O-N 3.44Å; P304-E308 PolarHBondContact O-N 3.2Å
305R84.8Confident87.4Confident210 Ų21053 Ų5379%0.79228%0.283SS*.Hα-helixtrans-67.2-35.3177.9-72.1-177.9169.5-178.3-3.2112.3S303 A309S303-R305 VanDerWaalsContact C-N 3.27Å; S303-R305 PolarHBondContact O-N 3.17Å; R305-A309 WeakPolarHBondContact O-CB 3.27Å; R305-A309 PolarHBondContact O-N 3.33Å; R305-A309 VanDerWaalsContact O-N 3.09Å
306G87.3Confident87.4Confident12 Ų1253.3 Ų53.312%0.12429%0.285CS..Hα-helixtrans-69.8-41176.600000111.9D300 S303 P304 A309 C310D300-G306 CarbonylContact O-C 3.29Å; D300-G306 WeakPolarHBondContact O-CA 3.24Å; S303-G306 PolarHBondContact O-N 2.83Å; P304-G306 VanDerWaalsContact C-N 3.33Å; P304-G306 PolarHBondContact O-N 3.49Å; G306-A309 PolarHBondContact O-N 3.01Å; G306-C310 WeakPolarHBondContact O-CB 3.3Å; G306-C310 PolarHBondContact O-N 3.45Å; G306-C310 PolarHBondContact O-SG 2.89Å
307I87.4Confident87.4Confident5 Ų553.2 Ų53.23%0.02628%0.284CS..Hα-helixtrans-60.6-46.3174-64.1166.5000110.7D300 S303 P304 A309 C310 I311 R416 Y417 L420D300-I307 PolarHBondContact O-N 2.81Å; S303-I307 WeakPolarHBondContact O-CG1 3.48Å; S303-I307 PolarHBondContact O-N 3.15Å; P304-I307 PolarHBondContact O-N 3.44Å; I307-A309 PolarHBondContact O-N 3.21Å; I307-C310 PolarHBondContact O-N 3.43Å; I307-I311 HydrophobicContact CG2-CD1 3.81Å; I307-I311 HydrophobicContact CG2-CG1 4.41Å; I307-I311 VanDerWaalsContact O-CG1 3.26Å; I307-I311 WeakPolarHBondContact O-CG1 3.42Å; I307-I311 PolarHBondContact O-N 3.11Å; I307-R416 HydrophobicContact CD1-CB 4.42Å; I307-Y417 HydrophobicContact CD1-CD1 4.21Å; I307-Y417 HydrophobicContact CD1-CE1 3.55Å; I307-Y417 HydrophobicContact CD1-CE2 4.43Å; I307-Y417 HydrophobicContact CG1-CD1 4.42Å; I307-Y417 HydrophobicContact CG1-CE1 3.88Å; I307-L420 HydrophobicContact CG2-CD1 4.09Å
308E88.4Confident87.4Confident134 Ų13450.8 Ų50.863%0.62627%0.274SS*.Hα-helixtrans-61.1-42.5176.6-76.1176.3-176.800112.7P304 I311 S312P304-E308 PolarHBondContact O-N 3.2Å; E308-I311 PolarHBondContact O-N 2.73Å; E308-S312 PolarHBondContact O-N 3.27Å
309A89.4Confident87.4Confident45 Ų4550.5 Ų50.537%0.37227%0.273SS..Hα-helixtrans-63.1-42176.100000112R305 G306 I307 A313R305-A309 WeakPolarHBondContact O-CB 3.27Å; R305-A309 PolarHBondContact O-N 3.33Å; R305-A309 VanDerWaalsContact O-N 3.09Å; G306-A309 PolarHBondContact O-N 3.01Å; I307-A309 PolarHBondContact O-N 3.21Å; A309-A313 VanDerWaalsContact O-CB 3.29Å; A309-A313 WeakPolarHBondContact O-CB 3.44Å; A309-A313 PolarHBondContact O-N 3.44Å
310C91.4Very high87.5Confident0 Ų050.6 Ų50.60%027%0.271CS..Hα-helixtrans-64.7-39.6174.4-72.40000112A295 L301 G306 I307 A313 S314 F349A295-C310 PolarHBondContact O-SG 3.38Å; A295-C310 VanDerWaalsContact O-SG 3.37Å; L301-C310 HydrophobicContact CD2-CB 4.15Å; G306-C310 WeakPolarHBondContact O-CB 3.3Å; G306-C310 PolarHBondContact O-N 3.45Å; G306-C310 PolarHBondContact O-SG 2.89Å; I307-C310 PolarHBondContact O-N 3.43Å; C310-A313 PolarHBondContact O-N 2.82Å; C310-S314 VanDerWaalsContact O-CB 3.23Å; C310-S314 WeakPolarHBondContact O-CB 3.26Å; C310-S314 PolarHBondContact O-N 2.75Å; C310-S314 PolarHBondContact O-OG 3.13Å; C310-F349 HydrophobicContact CB-CE2 4.08Å; C310-F349 HydrophobicContact CB-CZ 3.96Å
311I90Very high87.5Confident19 Ų1950 Ų5010%0.09727%0.266CS..Hα-helixtrans-60.2-54.6174.9-71.4163.6000109.8I307 E308 A313 S314 E315 K419 L420I307-I311 HydrophobicContact CG2-CD1 3.81Å; I307-I311 HydrophobicContact CG2-CG1 4.41Å; I307-I311 VanDerWaalsContact O-CG1 3.26Å; I307-I311 WeakPolarHBondContact O-CG1 3.42Å; I307-I311 PolarHBondContact O-N 3.11Å; E308-I311 PolarHBondContact O-N 2.73Å; I311-A313 VanDerWaalsContact C-N 3.3Å; I311-A313 PolarHBondContact O-N 3.06Å; I311-S314 PolarHBondContact O-N 3.11Å; I311-S314 VanDerWaalsContact O-N 3.09Å; I311-S314 PolarHBondContact O-OG 2.96Å; I311-E315 HydrophobicContact CG2-CG 4.41Å; I311-E315 WeakPolarHBondContact CG2-OE1 3.35Å; I311-E315 WeakPolarHBondContact O-CG 3.45Å; I311-E315 PolarHBondContact O-N 3.35Å; I311-K419 HydrophobicContact CD1-CB 4.03Å; I311-K419 HydrophobicContact CD1-CD 4.28Å; I311-K419 HydrophobicContact CG1-CB 4.16Å; I311-K419 HydrophobicContact CG2-CB 4.16Å; I311-K419 HydrophobicContact CG2-CD 3.8Å; I311-L420 HydrophobicContact CB-CD2 4.35Å; I311-L420 HydrophobicContact CD1-CG 4.4Å; I311-L420 HydrophobicContact CG1-CD1 4.25Å; I311-L420 HydrophobicContact CG1-CD2 3.58Å; I311-L420 HydrophobicContact CG1-CG 3.61Å
312S89.9Confident87.4Confident57 Ų5755.2 Ų55.240%0.39930%0.295SS..Hα-helixtrans-58.5-41.9179.8176.10000112.1E308 A316E308-S312 PolarHBondContact O-N 3.27Å; S312-A316 WeakPolarHBondContact O-CB 3.33Å; S312-A316 PolarHBondContact O-N 3.13Å
313A91.7Very high87.4Confident0 Ų052 Ų520%028%0.275CS..Hα-helixtrans-66.9-37.1176.200000113.1H292 A295 L296 A309 C310 I311 L317H292-A313 HydrophobicContact CB-CB 3.75Å; H292-A313 WeakPolarHBondContact ND1-CA 3.35Å; A295-A313 HydrophobicContact CB-CB 3.88Å; L296-A313 HydrophobicContact CD1-CB 4.35Å; L296-A313 HydrophobicContact CD2-CB 4.12Å; L296-A313 HydrophobicContact CG-CB 3.84Å; A309-A313 VanDerWaalsContact O-CB 3.29Å; A309-A313 WeakPolarHBondContact O-CB 3.44Å; A309-A313 PolarHBondContact O-N 3.44Å; C310-A313 PolarHBondContact O-N 2.82Å; I311-A313 VanDerWaalsContact C-N 3.3Å; I311-A313 PolarHBondContact O-N 3.06Å; A313-L317 WeakPolarHBondContact O-CB 3.44Å; A313-L317 PolarHBondContact O-N 3.29Å
314S90.8Very high87Confident1 Ų154 Ų541%0.00729%0.294CS..Hα-helixtrans-71.8-36.4178.672.70000112.5C310 I311 L318 W423C310-S314 VanDerWaalsContact O-CB 3.23Å; C310-S314 WeakPolarHBondContact O-CB 3.26Å; C310-S314 PolarHBondContact O-N 2.75Å; C310-S314 PolarHBondContact O-OG 3.13Å; I311-S314 PolarHBondContact O-N 3.11Å; I311-S314 VanDerWaalsContact O-N 3.09Å; I311-S314 PolarHBondContact O-OG 2.96Å; S314-L318 WeakPolarHBondContact O-CB 3.16Å; S314-L318 PolarHBondContact O-N 3.43Å; S314-W423 PolarHBondContact O-NE1 3.25Å
315E89.4Confident86.9Confident84 Ų8452.8 Ų52.839%0.39328%0.283SS..Hα-helixtrans-65.6-46.2172.2-72.2174.1177.200110.8I311 L317 L318 Q319I311-E315 HydrophobicContact CG2-CG 4.41Å; I311-E315 WeakPolarHBondContact CG2-OE1 3.35Å; I311-E315 WeakPolarHBondContact O-CG 3.45Å; I311-E315 PolarHBondContact O-N 3.35Å; E315-L317 PolarHBondContact O-N 3.02Å; E315-L318 PolarHBondContact O-N 2.96Å; E315-Q319 WeakPolarHBondContact O-CG 3.34Å; E315-Q319 PolarHBondContact O-N 3.49Å
316A88.4Confident86.7Confident18 Ų1848.3 Ų48.315%0.14927%0.267CS..Hα-helixtrans-61.1-42.5175.900000112.1L288 S312 Q319 C320L288-A316 HydrophobicContact CD1-CB 3.87Å; S312-A316 WeakPolarHBondContact O-CB 3.33Å; S312-A316 PolarHBondContact O-N 3.13Å; A316-Q319 PolarHBondContact O-N 3.02Å; A316-C320 PolarHBondContact O-N 3.02Å; A316-C320 PolarHBondContact O-SG 3.47Å
317L89.6Confident86Confident0 Ų054.4 Ų54.40%030%0.304CS..Hα-helixtrans-60.7-45.3174.6178.166.5000111.6L288 L296 A313 E315 Q319 C320 M321 F342 L345 R346 W423L288-L317 HydrophobicContact CD2-CD1 4.16Å; L296-L317 HydrophobicContact CD1-CB 4.21Å; L296-L317 HydrophobicContact CD1-CD2 3.91Å; A313-L317 WeakPolarHBondContact O-CB 3.44Å; A313-L317 PolarHBondContact O-N 3.29Å; E315-L317 PolarHBondContact O-N 3.02Å; L317-Q319 VanDerWaalsContact C-N 3.33Å; L317-Q319 PolarHBondContact O-N 3.16Å; L317-C320 PolarHBondContact O-N 3.3Å; L317-M321 HydrophobicContact CD1-CG 4.36Å; L317-M321 HydrophobicContact CD1-SD 4.28Å; L317-M321 HydrophobicContact CG-SD 4.15Å; L317-M321 VanDerWaalsContact O-CG 3.31Å; L317-M321 WeakPolarHBondContact O-CG 3.33Å; L317-M321 PolarHBondContact O-N 3.44Å; L317-F342 HydrophobicContact CD1-CB 3.78Å; L317-F342 HydrophobicContact CD1-CD1 3.68Å; L317-F342 HydrophobicContact CD1-CE1 4.49Å; L317-F342 HydrophobicContact CD1-CG 3.89Å; L317-L345 HydrophobicContact CD2-CB 4.46Å; L317-R346 HydrophobicContact CD2-CB 4.05Å; L317-W423 HydrophobicContact CD2-CZ2 4.24Å
318L86.9Confident85.5Confident39 Ų3956 Ų5620%0.20432%0.321CS..Hα-helixtrans-63.9-39.8178.8-174.665.1000111.7S314 E315 M321 N322 T427S314-L318 WeakPolarHBondContact O-CB 3.16Å; S314-L318 PolarHBondContact O-N 3.43Å; E315-L318 PolarHBondContact O-N 2.96Å; L318-M321 PolarHBondContact O-N 2.99Å; L318-N322 WeakPolarHBondContact O-CB 3.46Å; L318-N322 PolarHBondContact O-N 3.41Å; L318-N322 PolarHBondContact O-ND2 3.32Å; L318-T427 HydrophobicContact CD1-CG2 3.98Å
319Q86.3Confident85.2Confident138 Ų13850.1 Ų50.165%0.64529%0.294SS*.Hα-helixtrans-60.4-47174.3-74.11747.600111.4E315 A316 L317 M321 N322 V323E315-Q319 WeakPolarHBondContact O-CG 3.34Å; E315-Q319 PolarHBondContact O-N 3.49Å; A316-Q319 PolarHBondContact O-N 3.02Å; L317-Q319 VanDerWaalsContact C-N 3.33Å; L317-Q319 PolarHBondContact O-N 3.16Å; Q319-M321 VanDerWaalsContact C-N 3.33Å; Q319-M321 PolarHBondContact O-N 3.24Å; Q319-N322 PolarHBondContact O-N 3.04Å; Q319-V323 VanDerWaalsContact O-CG2 3.22Å; Q319-V323 WeakPolarHBondContact O-CG2 3.44Å; Q319-V323 PolarHBondContact O-N 3.44Å
320C85.7Confident84.5Confident17 Ų1754.5 Ų54.512%0.11531%0.307CS..Hα-helixtrans-63.1-37.8177.9-62.50000112.4A316 L317 F342A316-C320 PolarHBondContact O-N 3.02Å; A316-C320 PolarHBondContact O-SG 3.47Å; L317-C320 PolarHBondContact O-N 3.3Å; C320-F342 HydrophobicContact CB-CD2 4.38Å; C320-F342 HydrophobicContact CB-CE2 3.76Å; C320-F342 HydrophobicContact CB-CZ 3.91Å
321M82.6Confident84Confident57 Ų5762.5 Ų62.528%0.28134%0.344SS..Hα-helixtrans-73.1-29.5179.4-71.6-175.371.100113.6L317 L318 Q319 F342 R346L317-M321 HydrophobicContact CD1-CG 4.36Å; L317-M321 HydrophobicContact CD1-SD 4.28Å; L317-M321 HydrophobicContact CG-SD 4.15Å; L317-M321 VanDerWaalsContact O-CG 3.31Å; L317-M321 WeakPolarHBondContact O-CG 3.33Å; L317-M321 PolarHBondContact O-N 3.44Å; L318-M321 PolarHBondContact O-N 2.99Å; Q319-M321 VanDerWaalsContact C-N 3.33Å; Q319-M321 PolarHBondContact O-N 3.24Å; M321-F342 HydrophobicContact CG-CB 3.8Å; M321-F342 HydrophobicContact CG-CD2 4.27Å; M321-F342 HydrophobicContact CG-CG 4.34Å; M321-F342 HydrophobicContact SD-CB 4.13Å; M321-R346 HydrophobicContact SD-CB 4.34Å
322N83.1Confident83.8Confident117 Ų11765.3 Ų65.363%0.62636%0.359SS*.THydrogen-bonded Turntrans-91.84.8-176.6-72-16.1000113.7L318 Q319 A324L318-N322 WeakPolarHBondContact O-CB 3.46Å; L318-N322 PolarHBondContact O-N 3.41Å; L318-N322 PolarHBondContact O-ND2 3.32Å; Q319-N322 PolarHBondContact O-N 3.04Å; N322-A324 PolarHBondContact O-N 3.07Å
323V83.3Confident83.6Confident31 Ų3166.4 Ų66.419%0.18837%0.372CS..  trans-65.6125.8176.1-177.20000109.5F281 Y285 Q319 L325F281-V323 HydrophobicContact CZ-CG1 4Å; Y285-V323 HydrophobicContact CD1-CG1 4.24Å; Y285-V323 HydrophobicContact CD1-CG2 4.07Å; Y285-V323 HydrophobicContact CG-CG1 4.16Å; Y285-V323 HydrophobicContact CG-CG2 4.46Å; Q319-V323 VanDerWaalsContact O-CG2 3.22Å; Q319-V323 WeakPolarHBondContact O-CG2 3.44Å; Q319-V323 PolarHBondContact O-N 3.44Å; V323-L325 PolarHBondContact O-N 3.1Å; V323-L325 VanDerWaalsContact O-N 3.08Å
324A77.7Confident83.2Confident86 Ų8669.9 Ų69.971%0.71140%0.4SS*.  trans-66108.8175.500000110.3N322N322-A324 PolarHBondContact O-N 3.07Å
325L80.1Confident82.9Confident38 Ų3870.1 Ų70.120%0.19940%0.402CS..PPolyproline II helixtrans-70.1141.2175.6-67.9-174.4000110.9M286 V323 H329 E330 V335M286-L325 HydrophobicContact SD-CD2 4.36Å; V323-L325 PolarHBondContact O-N 3.1Å; V323-L325 VanDerWaalsContact O-N 3.08Å; L325-H329 HydrophobicContact CB-CB 4.16Å; L325-H329 HydrophobicContact CD1-CB 4.39Å; L325-H329 HydrophobicContact CD2-CB 4.28Å; L325-E330 HydrophobicContact CD1-CG 4.13Å; L325-V335 HydrophobicContact CD1-CG1 3.93Å; L325-V335 HydrophobicContact CD2-CG1 4.25Å
326R80.9Confident82.7Confident117 Ų11769.5 Ų69.544%0.44240%0.401SS..PPolyproline II helixtrans-74.9150.4173-60.7-179.5-177.4-176.10.2110E278 G328 H329E278-R326 IonicContact OE1-CZ 2.79Å; E278-R326 IonicContact OE1-NE 3.66Å; E278-R326 IonicContact OE1-NH1 3.82Å; E278-R326 IonicContact OE2-CZ 3.99Å; E278-R326 IonicContact OE2-NE 3.3Å; E278-R326 IonicContact OE2-NH1 3.69Å; E278-R326 PolarHBondContact OE2-NH1 3.42Å; R326-G328 PolarHBondContact O-N 3.12Å; R326-H329 PolarHBondContact N-ND1 2.83Å; R326-H329 WeakPolarHBondContact O-CB 3.5Å; R326-H329 PolarHBondContact O-N 2.97Å
327P74Confident82.6Confident139 Ų13975.6 Ų75.690%0.90343%0.426SS*.THydrogen-bonded Turntrans-52.8125.3174.8-24.933.9000111.4
328G74.9Confident82.5Confident38 Ų3877.9 Ų77.939%0.39244%0.437SS..THydrogen-bonded Turntrans102.4-20-17700000115.2R326 E330 Q331R326-G328 PolarHBondContact O-N 3.12Å; G328-E330 VanDerWaalsContact C-N 3.26Å; G328-E330 PolarHBondContact O-N 3.49Å; G328-Q331 WeakPolarHBondContact O-CB 3.17Å; G328-Q331 PolarHBondContact O-N 3.37Å; G328-Q331 VanDerWaalsContact O-N 3.07Å
329H82.2Confident82.5Confident11 Ų1179.5 Ų79.55%0.05144%0.443CS..G310 helixtrans-64-31.1176.8-71.6-175.2000113.2E278 F281 L325 R326 Q331 L332 V335E278-H329 VanDerWaalsContact CD-NE2 3.26Å; E278-H329 IonicContact OE1-CE1 3.03Å; E278-H329 PolarHBondContact OE1-CE1 3.24Å; E278-H329 IonicContact OE1-NE2 2.95Å; E278-H329 PolarHBondContact OE1-NE2 3.14Å; E278-H329 IonicContact OE2-NE2 2.98Å; F281-H329 AromaticContact CD1-CE1 3.77Å; F281-H329 AromaticContact CE1-CE1 3.75Å; L325-H329 HydrophobicContact CB-CB 4.16Å; L325-H329 HydrophobicContact CD1-CB 4.39Å; L325-H329 HydrophobicContact CD2-CB 4.28Å; R326-H329 PolarHBondContact N-ND1 2.83Å; R326-H329 WeakPolarHBondContact O-CB 3.5Å; R326-H329 PolarHBondContact O-N 2.97Å; H329-Q331 PolarHBondContact O-N 3.49Å; H329-L332 WeakPolarHBondContact O-CB 3.43Å; H329-L332 PolarHBondContact O-N 3.1Å; H329-L332 VanDerWaalsContact O-N 3.09Å; H329-V335 WeakPolarHBondContact O-CB 3.33Å
330E75.7Confident82.6Confident137 Ų13779.4 Ų79.464%0.6444%0.441SS*.G310 helixtrans-65.9-15175.5-62.7177.7171.200113.2L325 G328 N336L325-E330 HydrophobicContact CD1-CG 4.13Å; G328-E330 VanDerWaalsContact C-N 3.26Å; G328-E330 PolarHBondContact O-N 3.49Å; E330-N336 PolarHBondContact O-ND2 3.25Å; E330-N336 PolarHBondContact O-OD1 3.29Å
331Q81.5Confident82.8Confident169 Ų16981.6 Ų81.679%0.7945%0.451SS*.G310 helixtrans-87.9-12.7175.5-60.1-179.46.400112.3G328 H329 A333G328-Q331 WeakPolarHBondContact O-CB 3.17Å; G328-Q331 PolarHBondContact O-N 3.37Å; G328-Q331 VanDerWaalsContact O-N 3.07Å; H329-Q331 PolarHBondContact O-N 3.49Å; Q331-A333 PolarHBondContact O-N 3.38Å
332L84.5Confident83.1Confident78 Ų7879 Ų7941%0.40844%0.438SS..  trans-78.3121179-61.4176000110.2L282 H329 A334 V335 N336L282-L332 HydrophobicContact CD1-CD1 3.94Å; H329-L332 WeakPolarHBondContact O-CB 3.43Å; H329-L332 PolarHBondContact O-N 3.1Å; H329-L332 VanDerWaalsContact O-N 3.09Å; L332-A334 PolarHBondContact O-N 3.06Å; L332-V335 HydrophobicContact CB-CB 4.14Å; L332-V335 HydrophobicContact CB-CG2 3.84Å; L332-V335 HydrophobicContact CD1-CG2 3.98Å; L332-V335 PolarHBondContact O-N 3.22Å; L332-V335 VanDerWaalsContact O-N 3.11Å; L332-N336 PolarHBondContact O-N 2.98Å; L332-N336 VanDerWaalsContact O-N 3.1Å
333A85.6Confident83.4Confident80 Ų8074.7 Ų74.766%0.66142%0.419SS*.Hα-helixtrans-56.3-38.5178.800000112.8Q331 N336 Q337Q331-A333 PolarHBondContact O-N 3.38Å; A333-N336 PolarHBondContact O-N 3.02Å; A333-Q337 VanDerWaalsContact O-CB 3.29Å; A333-Q337 WeakPolarHBondContact O-CB 3.45Å; A333-Q337 PolarHBondContact O-N 3.22Å
334A83.7Confident83.7Confident72 Ų7277.8 Ų77.860%0.59543%0.432SS*.Hα-helixtrans-64.6-39.4178.200000112.8L332 Q337 Q338L332-A334 PolarHBondContact O-N 3.06Å; A334-Q337 PolarHBondContact O-N 2.63Å; A334-Q338 WeakPolarHBondContact O-CB 3.35Å; A334-Q338 PolarHBondContact O-N 2.98Å
335V84.8Confident84.3Confident7 Ų774 Ų744%0.04240%0.399CS..Hα-helixtrans-68.5-45.9177.9176.10000110.1L282 M286 L325 H329 L332 Q337 Q338 Q339L282-V335 HydrophobicContact CD1-CG2 4.32Å; L282-V335 HydrophobicContact CD2-CG2 3.92Å; M286-V335 HydrophobicContact CE-CG1 4.25Å; L325-V335 HydrophobicContact CD1-CG1 3.93Å; L325-V335 HydrophobicContact CD2-CG1 4.25Å; H329-V335 WeakPolarHBondContact O-CB 3.33Å; L332-V335 HydrophobicContact CB-CB 4.14Å; L332-V335 HydrophobicContact CB-CG2 3.84Å; L332-V335 HydrophobicContact CD1-CG2 3.98Å; L332-V335 PolarHBondContact O-N 3.22Å; L332-V335 VanDerWaalsContact O-N 3.11Å; V335-Q337 VanDerWaalsContact C-N 3.34Å; V335-Q337 PolarHBondContact O-N 3.22Å; V335-Q338 PolarHBondContact O-N 3.32Å; V335-Q339 HydrophobicContact CG1-CG 4.46Å; V335-Q339 WeakPolarHBondContact O-CB 3.4Å; V335-Q339 WeakPolarHBondContact O-CG 3.48Å; V335-Q339 PolarHBondContact O-N 3.28Å
336N84.6Confident84.8Confident71 Ų7174.9 Ų74.938%0.3840%0.4SS..Hα-helixtrans-60.9-41.8175.7-75-33.1000112.4E330 L332 A333 K340E330-N336 PolarHBondContact O-ND2 3.25Å; E330-N336 PolarHBondContact O-OD1 3.29Å; L332-N336 PolarHBondContact O-N 2.98Å; L332-N336 VanDerWaalsContact O-N 3.1Å; A333-N336 PolarHBondContact O-N 3.02Å; N336-K340 VanDerWaalsContact O-CB 3.32Å; N336-K340 WeakPolarHBondContact O-CB 3.25Å; N336-K340 PolarHBondContact O-N 3.13Å
337Q86.6Confident85.3Confident145 Ų14571.8 Ų71.868%0.67839%0.392SS*.Hα-helixtrans-63.2-42.4176.3-174.4176.1100111.4A333 A334 V335 K340 L341A333-Q337 VanDerWaalsContact O-CB 3.29Å; A333-Q337 WeakPolarHBondContact O-CB 3.45Å; A333-Q337 PolarHBondContact O-N 3.22Å; A334-Q337 PolarHBondContact O-N 2.63Å; V335-Q337 VanDerWaalsContact C-N 3.34Å; V335-Q337 PolarHBondContact O-N 3.22Å; Q337-K340 PolarHBondContact O-N 2.83Å; Q337-L341 PolarHBondContact O-N 3Å
338Q87.4Confident86.1Confident48 Ų4868 Ų6822%0.22437%0.366CS..Hα-helixtrans-69.9-41.4179.2-168.768.5-5.900112.3M286 A334 V335 K340 L341 F342M286-Q338 HydrophobicContact CB-CG 4.39Å; M286-Q338 HydrophobicContact CE-CB 3.97Å; M286-Q338 HydrophobicContact CE-CG 3.87Å; M286-Q338 WeakPolarHBondContact O-CG 3.38Å; M286-Q338 PolarHBondContact O-NE2 2.9Å; A334-Q338 WeakPolarHBondContact O-CB 3.35Å; A334-Q338 PolarHBondContact O-N 2.98Å; V335-Q338 PolarHBondContact O-N 3.32Å; Q338-K340 VanDerWaalsContact C-N 3.31Å; Q338-K340 PolarHBondContact O-N 2.94Å; Q338-L341 WeakPolarHBondContact O-CB 3.43Å; Q338-L341 PolarHBondContact O-N 3.46Å; Q338-F342 HydrophobicContact CG-CD2 4.35Å; Q338-F342 HydrophobicContact CG-CE1 4.2Å; Q338-F342 HydrophobicContact CG-CE2 3.74Å; Q338-F342 HydrophobicContact CG-CZ 3.67Å; Q338-F342 WeakPolarHBondContact O-CD2 3.09Å; Q338-F342 VanDerWaalsContact O-CG 3.31Å; Q338-F342 WeakPolarHBondContact O-CG 3Å; Q338-F342 PolarHBondContact O-N 3.28Å
339Q87Confident87Confident73 Ų7366.1 Ų66.134%0.34135%0.347SS..Hα-helixtrans-61.3-40.4172.8-75.3-172.1-3400112M286 V335 F342 A343M286-Q339 HydrophobicContact CE-CG 3.93Å; V335-Q339 HydrophobicContact CG1-CG 4.46Å; V335-Q339 WeakPolarHBondContact O-CB 3.4Å; V335-Q339 WeakPolarHBondContact O-CG 3.48Å; V335-Q339 PolarHBondContact O-N 3.28Å; Q339-F342 PolarHBondContact O-N 2.92Å; Q339-A343 WeakPolarHBondContact O-CB 3.49Å; Q339-A343 PolarHBondContact O-N 3.25Å
340K88.8Confident87.4Confident136 Ų13665.6 Ų65.659%0.59135%0.345SS*.Hα-helixtrans-62.9-44174.4-172.2-179.9177.9-173.70111.3N336 Q337 Q338 F342 A343 E344N336-K340 VanDerWaalsContact O-CB 3.32Å; N336-K340 WeakPolarHBondContact O-CB 3.25Å; N336-K340 PolarHBondContact O-N 3.13Å; Q337-K340 PolarHBondContact O-N 2.83Å; Q338-K340 VanDerWaalsContact C-N 3.31Å; Q338-K340 PolarHBondContact O-N 2.94Å; K340-F342 PolarHBondContact O-N 2.94Å; K340-A343 PolarHBondContact O-N 3.18Å; K340-E344 VanDerWaalsContact CE-OE1 3.25Å; K340-E344 WeakPolarHBondContact CE-OE1 3.4Å; K340-E344 WeakPolarHBondContact O-CG 3.47Å; K340-E344 PolarHBondContact O-N 3.39Å
341L89.1Confident88.1Confident63 Ų6365.6 Ų65.633%0.3334%0.339SS..Hα-helixtrans-59.5-44.9174.6178.365.4000111.6Q337 Q338 A343 E344 L345Q337-L341 PolarHBondContact O-N 3Å; Q338-L341 WeakPolarHBondContact O-CB 3.43Å; Q338-L341 PolarHBondContact O-N 3.46Å; L341-A343 VanDerWaalsContact C-N 3.34Å; L341-A343 PolarHBondContact O-N 3.08Å; L341-E344 PolarHBondContact O-N 3.11Å; L341-L345 HydrophobicContact CD1-CD1 4.42Å; L341-L345 HydrophobicContact CD1-CG 4.36Å; L341-L345 HydrophobicContact CG-CD1 4.15Å; L341-L345 HydrophobicContact CG-CG 4.49Å; L341-L345 WeakPolarHBondContact O-CB 3.2Å; L341-L345 WeakPolarHBondContact O-CG 3.15Å; L341-L345 PolarHBondContact O-N 2.79Å
342F89.5Confident88.6Confident2 Ų261 Ų611%0.00931%0.314CS..Hα-helixtrans-61.8-40.9176-66.3-25.7000112.4M286 L288 L317 C320 M321 Q338 Q339 K340 L345 R346M286-F342 HydrophobicContact CE-CD2 4.39Å; M286-F342 HydrophobicContact CE-CE2 3.88Å; M286-F342 WeakPolarHBondContact O-CZ 3.45Å; M286-F342 HydrophobicContact SD-CE2 4.35Å; L288-F342 HydrophobicContact CB-CE1 3.84Å; L288-F342 HydrophobicContact CB-CZ 4.37Å; L288-F342 HydrophobicContact CD2-CE1 4.32Å; L317-F342 HydrophobicContact CD1-CB 3.78Å; L317-F342 HydrophobicContact CD1-CD1 3.68Å; L317-F342 HydrophobicContact CD1-CE1 4.49Å; L317-F342 HydrophobicContact CD1-CG 3.89Å; C320-F342 HydrophobicContact CB-CD2 4.38Å; C320-F342 HydrophobicContact CB-CE2 3.76Å; C320-F342 HydrophobicContact CB-CZ 3.91Å; M321-F342 HydrophobicContact CG-CB 3.8Å; M321-F342 HydrophobicContact CG-CD2 4.27Å; M321-F342 HydrophobicContact CG-CG 4.34Å; M321-F342 HydrophobicContact SD-CB 4.13Å; Q338-F342 HydrophobicContact CG-CD2 4.35Å; Q338-F342 HydrophobicContact CG-CE1 4.2Å; Q338-F342 HydrophobicContact CG-CE2 3.74Å; Q338-F342 HydrophobicContact CG-CZ 3.67Å; Q338-F342 WeakPolarHBondContact O-CD2 3.09Å; Q338-F342 VanDerWaalsContact O-CG 3.31Å; Q338-F342 WeakPolarHBondContact O-CG 3Å; Q338-F342 PolarHBondContact O-N 3.28Å; Q339-F342 PolarHBondContact O-N 2.92Å; K340-F342 PolarHBondContact O-N 2.94Å; F342-L345 PolarHBondContact O-N 2.93Å; F342-R346 VanDerWaalsContact O-CB 3.26Å; F342-R346 WeakPolarHBondContact O-CB 3.47Å; F342-R346 PolarHBondContact O-N 3.22Å
343A88.9Confident88.9Confident27 Ų2757.2 Ų57.222%0.22330%0.295CS..Hα-helixtrans-63.6-4317400000112Q339 K340 L341 R346 D347Q339-A343 WeakPolarHBondContact O-CB 3.49Å; Q339-A343 PolarHBondContact O-N 3.25Å; K340-A343 PolarHBondContact O-N 3.18Å; L341-A343 VanDerWaalsContact C-N 3.34Å; L341-A343 PolarHBondContact O-N 3.08Å; A343-R346 PolarHBondContact O-N 2.93Å; A343-D347 WeakPolarHBondContact O-CB 3.35Å; A343-D347 PolarHBondContact O-N 3.33Å
344E90.9Very high89.1Confident97 Ų9754.3 Ų54.345%0.45327%0.269SS..Hα-helixtrans-63.5-42.5176.1-73.8175-170.900112.1K340 L341 D347 T348K340-E344 VanDerWaalsContact CE-OE1 3.25Å; K340-E344 WeakPolarHBondContact CE-OE1 3.4Å; K340-E344 WeakPolarHBondContact O-CG 3.47Å; K340-E344 PolarHBondContact O-N 3.39Å; L341-E344 PolarHBondContact O-N 3.11Å; E344-D347 PolarHBondContact O-N 3.45Å; E344-T348 VanDerWaalsContact O-CB 3.23Å; E344-T348 WeakPolarHBondContact O-CB 3.29Å; E344-T348 PolarHBondContact O-N 2.68Å; E344-T348 PolarHBondContact O-OG1 2.91Å
345L90.1Very high89.4Confident5 Ų555.2 Ų55.23%0.02626%0.264CS..Hα-helixtrans-63.6-45.8175.3-73.4173.4000111.5L288 I293 Q297 L317 L341 F342 T348 F349L288-L345 HydrophobicContact CD2-CD1 4.27Å; I293-L345 HydrophobicContact CG1-CD1 4.22Å; I293-L345 HydrophobicContact CG2-CD1 4.45Å; I293-L345 HydrophobicContact CG2-CD2 4.17Å; Q297-L345 HydrophobicContact CG-CD2 3.76Å; L317-L345 HydrophobicContact CD2-CB 4.46Å; L341-L345 HydrophobicContact CD1-CD1 4.42Å; L341-L345 HydrophobicContact CD1-CG 4.36Å; L341-L345 HydrophobicContact CG-CD1 4.15Å; L341-L345 HydrophobicContact CG-CG 4.49Å; L341-L345 WeakPolarHBondContact O-CB 3.2Å; L341-L345 WeakPolarHBondContact O-CG 3.15Å; L341-L345 PolarHBondContact O-N 2.79Å; F342-L345 PolarHBondContact O-N 2.93Å; L345-T348 PolarHBondContact O-N 3.22Å; L345-F349 VanDerWaalsContact O-CB 3.3Å; L345-F349 WeakPolarHBondContact O-CB 3.38Å; L345-F349 PolarHBondContact O-N 3.28Å
346R91.3Very high89.7Confident58 Ų5856.5 Ų56.522%0.21927%0.269CS..Hα-helixtrans-57.2-51.3174.8-178.9-161.168.6-169-5110.8L317 M321 F342 A343 T348 F349 A350 W423 T427 H428L317-R346 HydrophobicContact CD2-CB 4.05Å; M321-R346 HydrophobicContact SD-CB 4.34Å; F342-R346 VanDerWaalsContact O-CB 3.26Å; F342-R346 WeakPolarHBondContact O-CB 3.47Å; F342-R346 PolarHBondContact O-N 3.22Å; A343-R346 PolarHBondContact O-N 2.93Å; R346-T348 VanDerWaalsContact C-N 3.35Å; R346-T348 PolarHBondContact O-N 2.88Å; R346-F349 PolarHBondContact O-N 3.28Å; R346-A350 WeakPolarHBondContact O-CB 3.3Å; R346-A350 PolarHBondContact O-N 3.31Å; R346-W423 HydrophobicContact CB-CZ2 4.4Å; R346-W423 HydrophobicContact CG-CH2 3.84Å; R346-W423 HydrophobicContact CG-CZ2 3.78Å; R346-T427 HydrophobicContact CG-CG2 4.32Å; R346-H428 PolarHBondContact NE-NE2 3.3Å; R346-H428 VanDerWaalsContact NE-NE2 3.15Å
347D90.5Very high89.9Confident52 Ų5253.1 Ų53.128%0.27825%0.251SS..Hα-helixtrans-65.7-40.1-175.8-71.64000111.7A343 E344 R351 H428 K431A343-D347 WeakPolarHBondContact O-CB 3.35Å; A343-D347 PolarHBondContact O-N 3.33Å; E344-D347 PolarHBondContact O-N 3.45Å; D347-R351 WeakPolarHBondContact O-CB 3.42Å; D347-R351 PolarHBondContact O-N 3.46Å; D347-H428 IonicContact OD1-CE1 2.88Å; D347-H428 PolarHBondContact OD1-CE1 3.29Å; D347-H428 IonicContact OD1-NE2 3.84Å; D347-H428 PolarHBondContact OD1-NE2 2.99Å; D347-K431 PolarHBondContact O-NZ 3.47Å
348T90.9Very high90Very high58 Ų5848.2 Ų48.236%0.35623%0.229SC..Hα-helixtrans-66.3-49.8177.6-59.90000111E344 L345 R346 R351 R352E344-T348 VanDerWaalsContact O-CB 3.23Å; E344-T348 WeakPolarHBondContact O-CB 3.29Å; E344-T348 PolarHBondContact O-N 2.68Å; E344-T348 PolarHBondContact O-OG1 2.91Å; L345-T348 PolarHBondContact O-N 3.22Å; R346-T348 VanDerWaalsContact C-N 3.35Å; R346-T348 PolarHBondContact O-N 2.88Å; T348-R351 PolarHBondContact O-N 2.91Å; T348-R352 WeakPolarHBondContact O-CB 3.11Å; T348-R352 PolarHBondContact O-N 3.27Å
349F92.6Very high90Very high0 Ų051.1 Ų51.10%025%0.246CC..Hα-helixtrans-63-43.8177.3-179.7-115.7000111.5L296 L301 C310 L345 R346 R351 R352 L353 L420 W423L296-F349 HydrophobicContact CB-CB 4.37Å; L296-F349 HydrophobicContact CB-CD2 4.48Å; L296-F349 HydrophobicContact CB-CG 4.49Å; L296-F349 HydrophobicContact CD2-CB 4.09Å; L296-F349 HydrophobicContact CD2-CD1 3.67Å; L296-F349 HydrophobicContact CD2-CD2 3.96Å; L296-F349 HydrophobicContact CD2-CE1 4.07Å; L296-F349 HydrophobicContact CD2-CE2 4.32Å; L296-F349 HydrophobicContact CD2-CG 3.63Å; L296-F349 HydrophobicContact CD2-CZ 4.38Å; L296-F349 WeakPolarHBondContact O-CD2 3.37Å; L301-F349 HydrophobicContact CD2-CE2 4.23Å; C310-F349 HydrophobicContact CB-CE2 4.08Å; C310-F349 HydrophobicContact CB-CZ 3.96Å; L345-F349 VanDerWaalsContact O-CB 3.3Å; L345-F349 WeakPolarHBondContact O-CB 3.38Å; L345-F349 PolarHBondContact O-N 3.28Å; R346-F349 PolarHBondContact O-N 3.28Å; F349-R351 VanDerWaalsContact C-N 3.32Å; F349-R351 PolarHBondContact O-N 3.1Å; F349-R352 PolarHBondContact O-N 3.38Å; F349-L353 HydrophobicContact CE1-CD2 4.41Å; F349-L353 WeakPolarHBondContact O-CB 3.48Å; F349-L353 PolarHBondContact O-N 3.04Å; F349-L420 HydrophobicContact CE1-CD2 4.13Å; F349-L420 HydrophobicContact CZ-CD2 3.95Å; F349-W423 HydrophobicContact CB-CH2 4.48Å; F349-W423 HydrophobicContact CD1-CE3 4.1Å; F349-W423 AromaticContact CD1-CH2 3.54Å; F349-W423 HydrophobicContact CD1-CH2 3.54Å; F349-W423 HydrophobicContact CD1-CZ2 4.06Å; F349-W423 AromaticContact CD1-CZ3 3.53Å; F349-W423 HydrophobicContact CD1-CZ3 3.53Å; F349-W423 HydrophobicContact CE1-CE3 4.06Å; F349-W423 HydrophobicContact CE1-CH2 4.3Å; F349-W423 AromaticContact CE1-CZ3 3.95Å; F349-W423 HydrophobicContact CE1-CZ3 3.95Å; F349-W423 HydrophobicContact CG-CH2 4.48Å
350A91.4Very high90Very high0 Ų049.1 Ų49.10%024%0.239CC..Hα-helixtrans-59.5-41.8176.100000112R346 T354 W423 L424 H428 K431R346-A350 WeakPolarHBondContact O-CB 3.3Å; R346-A350 PolarHBondContact O-N 3.31Å; A350-T354 WeakPolarHBondContact O-CB 3.43Å; A350-T354 PolarHBondContact O-N 3.03Å; A350-T354 PolarHBondContact O-OG1 2.99Å; A350-W423 HydrophobicContact CB-CH2 4.15Å; A350-W423 HydrophobicContact CB-CZ3 3.98Å; A350-L424 HydrophobicContact CB-CD1 3.8Å; A350-H428 WeakPolarHBondContact CB-CD2 3.47Å; A350-K431 HydrophobicContact CB-CD 4.06Å
351R90.9Very high89.8Confident137 Ų13743.2 Ų43.252%0.51721%0.214SC..Hα-helixtrans-64-43.6176.6-146.9-174.5-53.3120.44.3111.3D347 T348 F349 N355D347-R351 WeakPolarHBondContact O-CB 3.42Å; D347-R351 PolarHBondContact O-N 3.46Å; T348-R351 PolarHBondContact O-N 2.91Å; F349-R351 VanDerWaalsContact C-N 3.32Å; F349-R351 PolarHBondContact O-N 3.1Å; R351-N355 WeakPolarHBondContact O-CB 3.28Å; R351-N355 VanDerWaalsContact O-CG 3.28Å; R351-N355 PolarHBondContact O-N 3.28Å
352R91.8Very high89.5Confident71 Ų7142.4 Ų42.427%0.26821%0.211SC..Hα-helixtrans-64.3-46178.1-174179.5177.1-144.8-1.9112.1Q297 E298 G299 L301 T348 F349 N355 H356Q297-R352 PolarHBondContact O-NH1 3.46Å; Q297-R352 VanDerWaalsContact O-NH1 3.13Å; E298-R352 VanDerWaalsContact C-NH2 3.31Å; E298-R352 PolarHBondContact O-NH2 3.05Å; E298-R352 VanDerWaalsContact O-NH2 3.1Å; G299-R352 PolarHBondContact O-NH1 3.45Å; G299-R352 PolarHBondContact O-NH2 3.43Å; L301-R352 HydrophobicContact CD1-CG 4.24Å; T348-R352 WeakPolarHBondContact O-CB 3.11Å; T348-R352 PolarHBondContact O-N 3.27Å; F349-R352 PolarHBondContact O-N 3.38Å; R352-N355 PolarHBondContact O-N 2.71Å; R352-H356 WeakPolarHBondContact O-CB 2.95Å; R352-H356 PolarHBondContact O-N 2.87Å
353L90.7Very high89.1Confident0 Ų048.3 Ų48.30%024%0.238CC..Hα-helixtrans-61.9-47.1177.3178.863.6000111.4L301 F349 N355 H356 L357 L420L301-L353 HydrophobicContact CD1-CD1 4.45Å; F349-L353 HydrophobicContact CE1-CD2 4.41Å; F349-L353 WeakPolarHBondContact O-CB 3.48Å; F349-L353 PolarHBondContact O-N 3.04Å; L353-N355 PolarHBondContact O-N 3.42Å; L353-H356 PolarHBondContact O-N 3.04Å; L353-L357 HydrophobicContact CD1-CD1 3.97Å; L353-L357 HydrophobicContact CD1-CG 4.08Å; L353-L357 HydrophobicContact CG-CD1 4.03Å; L353-L357 HydrophobicContact CG-CG 4.47Å; L353-L357 WeakPolarHBondContact O-CB 3.34Å; L353-L357 WeakPolarHBondContact O-CG 3.46Å; L353-L357 PolarHBondContact O-N 3.01Å; L353-L420 HydrophobicContact CD1-CB 4.19Å; L353-L420 HydrophobicContact CD1-CD1 4Å; L353-L420 HydrophobicContact CD2-CB 3.86Å
354T89.9Confident88.5Confident18 Ų1848.7 Ų48.711%0.1124%0.236CC..Hα-helixtrans-60-45177-62.50000111.8A350 L357 N358 L435A350-T354 WeakPolarHBondContact O-CB 3.43Å; A350-T354 PolarHBondContact O-N 3.03Å; A350-T354 PolarHBondContact O-OG1 2.99Å; T354-L357 PolarHBondContact O-N 3.48Å; T354-N358 WeakPolarHBondContact O-CB 3.39Å; T354-N358 PolarHBondContact O-N 2.94Å; T354-N358 PolarHBondContact O-ND2 3.14Å; T354-L435 HydrophobicContact CG2-CD1 4.36Å; T354-L435 HydrophobicContact CG2-CD2 3.84Å; T354-L435 HydrophobicContact CG2-CG 3.98Å
355N90.2Very high87.6Confident92 Ų9245 Ų4549%0.49222%0.218SC..Hα-helixtrans-64-42.1177.5-72.9-8.3000112R351 R352 L353 N359R351-N355 WeakPolarHBondContact O-CB 3.28Å; R351-N355 VanDerWaalsContact O-CG 3.28Å; R351-N355 PolarHBondContact O-N 3.28Å; R352-N355 PolarHBondContact O-N 2.71Å; L353-N355 PolarHBondContact O-N 3.42Å; N355-N359 WeakPolarHBondContact O-CB 3.39Å; N355-N359 VanDerWaalsContact O-CG 3.23Å; N355-N359 PolarHBondContact O-N 3.32Å; N355-N359 PolarHBondContact O-ND2 3.31Å
356H90Very high87Confident33 Ų3347.9 Ų47.915%0.15323%0.233CC..Hα-helixtrans-62-50.7176.3-178.669.1000111.8L301 R352 L353 N358 N359 V360 Y417L301-H356 HydrophobicContact CD1-CB 3.8Å; L301-H356 PolarHBondContact O-NE2 3.06Å; R352-H356 WeakPolarHBondContact O-CB 2.95Å; R352-H356 PolarHBondContact O-N 2.87Å; L353-H356 PolarHBondContact O-N 3.04Å; H356-N358 VanDerWaalsContact C-N 3.34Å; H356-N358 PolarHBondContact O-N 3.28Å; H356-N359 WeakPolarHBondContact O-CB 3.45Å; H356-N359 PolarHBondContact O-N 3.13Å; H356-N359 VanDerWaalsContact O-N 3.13Å; H356-V360 WeakPolarHBondContact O-CG2 3.27Å; H356-V360 PolarHBondContact O-N 2.88Å; H356-Y417 AromaticContact CD2-CE1 3.89Å; H356-Y417 AromaticContact NE2-CE1 3.77Å; H356-Y417 AromaticContact NE2-CZ 3.72Å; H356-Y417 PolarHBondContact NE2-OH 2.94Å; H356-Y417 VanDerWaalsContact NE2-OH 3.12Å
357L88.9Confident86Confident0 Ų049.7 Ų49.70%024%0.244CC..Hα-helixtrans-63.1-39.1179.7-71.1177.2000112.3L353 T354 N359 V360 F361 Y417 M421 L435L353-L357 HydrophobicContact CD1-CD1 3.97Å; L353-L357 HydrophobicContact CD1-CG 4.08Å; L353-L357 HydrophobicContact CG-CD1 4.03Å; L353-L357 HydrophobicContact CG-CG 4.47Å; L353-L357 WeakPolarHBondContact O-CB 3.34Å; L353-L357 WeakPolarHBondContact O-CG 3.46Å; L353-L357 PolarHBondContact O-N 3.01Å; T354-L357 PolarHBondContact O-N 3.48Å; L357-N359 PolarHBondContact O-N 3.28Å; L357-V360 PolarHBondContact O-N 3.3Å; L357-F361 HydrophobicContact CB-CE2 4.48Å; L357-F361 HydrophobicContact CB-CZ 4.45Å; L357-F361 WeakPolarHBondContact O-CD2 3.46Å; L357-F361 WeakPolarHBondContact O-CG 3.38Å; L357-F361 PolarHBondContact O-N 3.39Å; L357-Y417 HydrophobicContact CD2-CD1 3.94Å; L357-Y417 HydrophobicContact CD2-CD2 3.99Å; L357-Y417 HydrophobicContact CD2-CE1 4.41Å; L357-Y417 HydrophobicContact CD2-CE2 4.47Å; L357-Y417 HydrophobicContact CD2-CG 3.7Å; L357-M421 HydrophobicContact CD1-CG 4.34Å; L357-M421 HydrophobicContact CD1-SD 3.58Å; L357-M421 VanDerWaalsContact CD1-SD 3.58Å; L357-L435 HydrophobicContact CB-CD1 4.38Å; L357-L435 HydrophobicContact CB-CD2 4.14Å; L357-L435 HydrophobicContact CD1-CD1 3.85Å
358N89Confident84.9Confident42 Ų4249.1 Ų49.123%0.22524%0.239CC..Hα-helixtrans-60-45.6172.3-82.2-25.9000111.9T354 H356 V360 F361 V362 L435T354-N358 WeakPolarHBondContact O-CB 3.39Å; T354-N358 PolarHBondContact O-N 2.94Å; T354-N358 PolarHBondContact O-ND2 3.14Å; H356-N358 VanDerWaalsContact C-N 3.34Å; H356-N358 PolarHBondContact O-N 3.28Å; N358-V360 VanDerWaalsContact C-N 3.32Å; N358-V360 PolarHBondContact O-N 2.99Å; N358-F361 PolarHBondContact O-N 2.81Å; N358-V362 VanDerWaalsContact O-CG2 3.29Å; N358-V362 WeakPolarHBondContact O-CG2 3.2Å; N358-V362 PolarHBondContact O-N 3.15Å; N358-L435 WeakPolarHBondContact OD1-CD2 2.97Å
359N87.9Confident83.6Confident109 Ų10946.8 Ų46.858%0.58323%0.226SC*.Hα-helixtrans-63.9-38.4176.8-71.3-19.7000111.9N355 H356 L357 V362 H363N355-N359 WeakPolarHBondContact O-CB 3.39Å; N355-N359 VanDerWaalsContact O-CG 3.23Å; N355-N359 PolarHBondContact O-N 3.32Å; N355-N359 PolarHBondContact O-ND2 3.31Å; H356-N359 WeakPolarHBondContact O-CB 3.45Å; H356-N359 PolarHBondContact O-N 3.13Å; H356-N359 VanDerWaalsContact O-N 3.13Å; L357-N359 PolarHBondContact O-N 3.28Å; N359-V362 PolarHBondContact O-N 3.49Å; N359-H363 VanDerWaalsContact O-CB 3.25Å; N359-H363 WeakPolarHBondContact O-CB 3.47Å; N359-H363 PolarHBondContact O-N 3.48Å
360V86.6Confident82.1Confident32 Ų3254.1 Ų54.119%0.19425%0.254CS..Hα-helixtrans-62.3-47.7174172.50000110.3H356 L357 N358 V362 H363 Q364 L414H356-V360 WeakPolarHBondContact O-CG2 3.27Å; H356-V360 PolarHBondContact O-N 2.88Å; L357-V360 PolarHBondContact O-N 3.3Å; N358-V360 VanDerWaalsContact C-N 3.32Å; N358-V360 PolarHBondContact O-N 2.99Å; V360-V362 VanDerWaalsContact C-N 3.34Å; V360-V362 PolarHBondContact O-N 3.5Å; V360-H363 PolarHBondContact O-N 3.36Å; V360-Q364 WeakPolarHBondContact O-CB 3.47Å; V360-Q364 PolarHBondContact O-N 3.42Å; V360-L414 HydrophobicContact CG1-CD2 3.77Å
361F84.8Confident80.3Confident11 Ų1160.1 Ų60.15%0.04828%0.281CS..Hα-helixtrans-58.6-44.1176.5-61.7-24.6000111.9L357 N358 F365 L414 L435 Y439 Y442 F566L357-F361 HydrophobicContact CB-CE2 4.48Å; L357-F361 HydrophobicContact CB-CZ 4.45Å; L357-F361 WeakPolarHBondContact O-CD2 3.46Å; L357-F361 WeakPolarHBondContact O-CG 3.38Å; L357-F361 PolarHBondContact O-N 3.39Å; N358-F361 PolarHBondContact O-N 2.81Å; F361-F365 VanDerWaalsContact O-CB 3.28Å; F361-F365 WeakPolarHBondContact O-CB 3.48Å; F361-F365 PolarHBondContact O-N 3.32Å; F361-L414 HydrophobicContact CD1-CD1 4.37Å; F361-L414 HydrophobicContact CD1-CD2 4.02Å; F361-L414 HydrophobicContact CE1-CD1 4.08Å; F361-L414 HydrophobicContact CE1-CD2 3.7Å; F361-L435 HydrophobicContact CE2-CD2 4.14Å; F361-Y439 HydrophobicContact CD1-CD2 4.23Å; F361-Y439 AromaticContact CE1-CD2 3.93Å; F361-Y439 HydrophobicContact CE1-CD2 3.93Å; F361-Y439 HydrophobicContact CZ-CD2 4.1Å; F361-Y442 HydrophobicContact CB-CD2 4.1Å; F361-Y442 HydrophobicContact CB-CE2 4.48Å; F361-F566 HydrophobicContact CE1-CZ 4.45Å; F361-F566 HydrophobicContact CZ-CE1 4.21Å; F361-F566 HydrophobicContact CZ-CZ 4.24Å
362V83.7Confident78.4Confident46 Ų4657.6 Ų57.628%0.27927%0.274SS..Hα-helixtrans-65.7-49.6177.8171.60000112N358 N359 V360 Q364 F365 N366 Y442N358-V362 VanDerWaalsContact O-CG2 3.29Å; N358-V362 WeakPolarHBondContact O-CG2 3.2Å; N358-V362 PolarHBondContact O-N 3.15Å; N359-V362 PolarHBondContact O-N 3.49Å; V360-V362 VanDerWaalsContact C-N 3.34Å; V360-V362 PolarHBondContact O-N 3.5Å; V362-Q364 PolarHBondContact O-N 2.91Å; V362-F365 PolarHBondContact O-N 3.49Å; V362-N366 WeakPolarHBondContact CG1-ND2 3.39Å; V362-N366 WeakPolarHBondContact O-CB 3.44Å; V362-N366 VanDerWaalsContact O-CG 3.3Å; V362-N366 PolarHBondContact O-N 2.77Å; V362-N366 PolarHBondContact O-ND2 3.32Å; V362-Y442 HydrophobicContact CG2-CE1 4.41Å; V362-Y442 HydrophobicContact CG2-CE2 3.94Å; V362-Y442 VanDerWaalsContact CG2-OH 3.31Å; V362-Y442 WeakPolarHBondContact CG2-OH 3.12Å
363H81Confident76.4Confident126 Ų12659.3 Ų59.358%0.58329%0.286SS*.Hα-helixtrans-58.4-42.2179.6177.5-89.6000110.6N359 V360 N366 H367N359-H363 VanDerWaalsContact O-CB 3.25Å; N359-H363 WeakPolarHBondContact O-CB 3.47Å; N359-H363 PolarHBondContact O-N 3.48Å; V360-H363 PolarHBondContact O-N 3.36Å; H363-N366 PolarHBondContact O-N 3.05Å; H363-H367 VanDerWaalsContact O-CB 3.27Å; H363-H367 WeakPolarHBondContact O-CB 3.34Å; H363-H367 PolarHBondContact O-N 2.86Å
364Q74.5Confident74.2Confident36 Ų3664.6 Ų64.617%0.16832%0.318CS..Hα-helixtrans-73.1-41.4-177.6-168.9702.700112.7V360 V362 N366 H367 F368 L410V360-Q364 WeakPolarHBondContact O-CB 3.47Å; V360-Q364 PolarHBondContact O-N 3.42Å; V362-Q364 PolarHBondContact O-N 2.91Å; Q364-N366 VanDerWaalsContact C-N 3.33Å; Q364-N366 PolarHBondContact O-N 3.43Å; Q364-H367 PolarHBondContact O-N 3.19Å; Q364-F368 HydrophobicContact CG-CD2 4.41Å; Q364-F368 VanDerWaalsContact NE2-CE2 3.27Å; Q364-F368 WeakPolarHBondContact O-CD2 3.3Å; Q364-F368 PolarHBondContact O-N 2.92Å; Q364-L410 HydrophobicContact CB-CD1 4.3Å; Q364-L410 HydrophobicContact CG-CD1 3.07Å; Q364-L410 HydrophobicContact CG-CG 4.43Å; Q364-L410 VanDerWaalsContact NE2-CD1 3.33Å
365F73.4Confident72.1Confident20 Ų2067 Ų679%0.08833%0.33CS..Hα-helixtrans-57.8-46.8170.1175.8-93.5000111F361 V362 S369 Y442 R445 L446F361-F365 VanDerWaalsContact O-CB 3.28Å; F361-F365 WeakPolarHBondContact O-CB 3.48Å; F361-F365 PolarHBondContact O-N 3.32Å; V362-F365 PolarHBondContact O-N 3.49Å; F365-S369 WeakPolarHBondContact O-CB 3.34Å; F365-S369 PolarHBondContact O-N 3.4Å; F365-Y442 HydrophobicContact CB-CD1 4.34Å; F365-Y442 HydrophobicContact CD1-CD1 4.37Å; F365-Y442 HydrophobicContact CD2-CD1 4.2Å; F365-Y442 WeakPolarHBondContact CD2-O 3.43Å; F365-Y442 WeakPolarHBondContact CE2-O 3.32Å; F365-Y442 HydrophobicContact CG-CD1 4.04Å; F365-R445 HydrophobicContact CE2-CB 4.01Å; F365-R445 HydrophobicContact CZ-CB 4.3Å; F365-L446 HydrophobicContact CD2-CB 4.14Å; F365-L446 HydrophobicContact CE2-CB 4.04Å
366N77Confident70Confident64 Ų6465.2 Ų65.234%0.34232%0.323SS..Hα-helixtrans-65.9-44.7178.5-73.2-29000111.4V362 H363 Q364 F368 S369 Y370V362-N366 WeakPolarHBondContact CG1-ND2 3.39Å; V362-N366 WeakPolarHBondContact O-CB 3.44Å; V362-N366 VanDerWaalsContact O-CG 3.3Å; V362-N366 PolarHBondContact O-N 2.77Å; V362-N366 PolarHBondContact O-ND2 3.32Å; H363-N366 PolarHBondContact O-N 3.05Å; Q364-N366 VanDerWaalsContact C-N 3.33Å; Q364-N366 PolarHBondContact O-N 3.43Å; N366-F368 PolarHBondContact O-N 3.18Å; N366-S369 PolarHBondContact O-N 2.97Å; N366-Y370 HydrophobicContact CB-CD2 4.19Å; N366-Y370 HydrophobicContact CB-CE2 4.49Å; N366-Y370 VanDerWaalsContact O-CB 3.3Å; N366-Y370 WeakPolarHBondContact O-CB 3.3Å; N366-Y370 VanDerWaalsContact O-CD2 3.27Å; N366-Y370 WeakPolarHBondContact O-CD2 3.41Å; N366-Y370 PolarHBondContact O-N 3.46Å
367H70.8Confident67.6Low96 Ų9670.8 Ų70.844%0.44435%0.349SS..Hα-helixtrans-56.7-48.9177.6-179.8-89.7000111.3H363 Q364 F371H363-H367 VanDerWaalsContact O-CB 3.27Å; H363-H367 WeakPolarHBondContact O-CB 3.34Å; H363-H367 PolarHBondContact O-N 2.86Å; Q364-H367 PolarHBondContact O-N 3.19Å; H367-F371 WeakPolarHBondContact O-CB 3.32Å; H367-F371 PolarHBondContact O-N 3.43Å
368F67.4Low65.2Low40 Ų4080 Ų8018%0.17539%0.385CS..Hα-helixtrans-68.6-40.7177.3-87.2-95.1000112.7Q364 N366 Y370 K372 H407 L446Q364-F368 HydrophobicContact CG-CD2 4.41Å; Q364-F368 VanDerWaalsContact NE2-CE2 3.27Å; Q364-F368 WeakPolarHBondContact O-CD2 3.3Å; Q364-F368 PolarHBondContact O-N 2.92Å; N366-F368 PolarHBondContact O-N 3.18Å; F368-Y370 PolarHBondContact O-N 3.1Å; F368-K372 PolarHBondContact O-N 3.04Å; F368-H407 AromaticContact CE1-ND1 3.83Å; F368-L446 HydrophobicContact CB-CD1 4.2Å; F368-L446 HydrophobicContact CB-CD2 4.49Å
369S63.9Low63Low10 Ų1085.5 Ų85.57%0.0740%0.404CS..Hα-helixtrans-65-37.7177.2177.50000113.1F365 N366 M373 R449F365-S369 WeakPolarHBondContact O-CB 3.34Å; F365-S369 PolarHBondContact O-N 3.4Å; N366-S369 PolarHBondContact O-N 2.97Å; S369-M373 PolarHBondContact O-N 3.44Å; S369-R449 PolarHBondContact OG-NH1 2.9Å
370Y59.5Low60.7Low153 Ų15389.4 Ų89.460%0.641%0.411SS*.Hα-helixtrans-85.3-39.9-178.8-84.8-82.2000112.6N366 F368 K372 M373 T374N366-Y370 HydrophobicContact CB-CD2 4.19Å; N366-Y370 HydrophobicContact CB-CE2 4.49Å; N366-Y370 VanDerWaalsContact O-CB 3.3Å; N366-Y370 WeakPolarHBondContact O-CB 3.3Å; N366-Y370 VanDerWaalsContact O-CD2 3.27Å; N366-Y370 WeakPolarHBondContact O-CD2 3.41Å; N366-Y370 PolarHBondContact O-N 3.46Å; F368-Y370 PolarHBondContact O-N 3.1Å; Y370-K372 PolarHBondContact O-N 3.33Å; Y370-M373 PolarHBondContact O-N 2.94Å; Y370-T374 PolarHBondContact O-N 3.46Å; Y370-T374 PolarHBondContact O-OG1 2.82Å
371F53.6Low58.4Low127 Ų12791.5 Ų91.556%0.55743%0.427SS*.Hα-helixtrans-55.4-36.9173.7-174-100.4000110.9H367 I375H367-F371 WeakPolarHBondContact O-CB 3.32Å; H367-F371 PolarHBondContact O-N 3.43Å; F371-I375 HydrophobicContact CD1-CD1 3.95Å; F371-I375 HydrophobicContact CE1-CD1 3.51Å; F371-I375 HydrophobicContact CE2-CD1 4.36Å; F371-I375 HydrophobicContact CZ-CD1 3.74Å; F371-I375 WeakPolarHBondContact O-CG1 3.43Å
372K51.1Low56.2Low84 Ų8495 Ų9537%0.36545%0.453SS..Hα-helixtrans-90.26.6171-89.4-160.6170.7-164.50115.7F368 Y370 P376 P405F368-K372 PolarHBondContact O-N 3.04Å; Y370-K372 PolarHBondContact O-N 3.33Å; K372-P376 WeakPolarHBondContact O-CD 3.45Å; K372-P376 WeakPolarHBondContact O-CG 3.43Å; K372-P405 VanDerWaalsContact CE-CG 3.48Å
373M49.5Very low54.1Low106 Ų10698.1 Ų98.152%0.52248%0.475SS..Hα-helixtrans-86.5-29.5164.3-145.396.975.400110.3S369 Y370S369-M373 PolarHBondContact O-N 3.44Å; Y370-M373 PolarHBondContact O-N 2.94Å
374T44.5Very low52Low111 Ų11198.7 Ų98.768%0.68148%0.482SS*.Hα-helixtrans-82.1-29.5-177.6-41.40000112.8Y370Y370-T374 PolarHBondContact O-N 3.46Å; Y370-T374 PolarHBondContact O-OG1 2.82Å
375I47Very low50Low69 Ų69101.6 Ų101.635%0.35451%0.506SS..SBendtrans-84.8-35.2-177.6-62.9177.7000114.4F371 Q377 Y378 Y379F371-I375 HydrophobicContact CD1-CD1 3.95Å; F371-I375 HydrophobicContact CE1-CD1 3.51Å; F371-I375 HydrophobicContact CE2-CD1 4.36Å; F371-I375 HydrophobicContact CZ-CD1 3.74Å; F371-I375 WeakPolarHBondContact O-CG1 3.43Å; I375-Q377 VanDerWaalsContact C-N 3.29Å; I375-Q377 PolarHBondContact O-N 3.02Å; I375-Y378 WeakPolarHBondContact O-CB 3.49Å; I375-Y378 PolarHBondContact O-N 2.88Å; I375-Y378 VanDerWaalsContact O-N 3.11Å; I375-Y379 HydrophobicContact CG2-CD2 4.11Å; I375-Y379 HydrophobicContact CG2-CE2 4.35Å; I375-Y379 PolarHBondContact O-N 3.18Å
376P46Very low48Very low54 Ų54108.3 Ų108.335%0.35154%0.542SS..Hα-helixtrans-69.2-19.1178.9-25.836.9000114.8K372 Y378 Y379 R380K372-P376 WeakPolarHBondContact O-CD 3.45Å; K372-P376 WeakPolarHBondContact O-CG 3.43Å; P376-Y378 PolarHBondContact O-N 3.27Å; P376-Y379 PolarHBondContact O-N 3.31Å; P376-R380 WeakPolarHBondContact O-CB 3.45Å; P376-R380 PolarHBondContact O-N 3.28Å
377Q38.8Very low46.2Very low151 Ų151111.5 Ų111.571%0.70657%0.566SS**Hα-helixtrans-65.4-27.9171.8-70.6-158.5-2.700112I375 S381I375-Q377 VanDerWaalsContact C-N 3.29Å; I375-Q377 PolarHBondContact O-N 3.02Å; Q377-S381 VanDerWaalsContact O-CB 3.24Å; Q377-S381 WeakPolarHBondContact O-CB 3.29Å; Q377-S381 PolarHBondContact O-N 3.15Å; Q377-S381 PolarHBondContact O-OG 3.28Å
378Y40.1Very low44.4Very low193 Ų193110.2 Ų110.276%0.75758%0.579SS**Hα-helixtrans-77.3-43.6174.2-124.1-94.3000111.8I375 P376 S382I375-Y378 WeakPolarHBondContact O-CB 3.49Å; I375-Y378 PolarHBondContact O-N 2.88Å; I375-Y378 VanDerWaalsContact O-N 3.11Å; P376-Y378 PolarHBondContact O-N 3.27Å; Y378-S382 PolarHBondContact O-N 2.9Å
379Y42.5Very low42.7Very low157 Ų157116.8 Ų116.862%0.61661%0.61SS**Hα-helixtrans-75.9-28.1179.4-87.7-88.5000114.3I375 P376 A400I375-Y379 HydrophobicContact CG2-CD2 4.11Å; I375-Y379 HydrophobicContact CG2-CE2 4.35Å; I375-Y379 PolarHBondContact O-N 3.18Å; P376-Y379 PolarHBondContact O-N 3.31Å; Y379-A400 HydrophobicContact CE1-CB 4.14Å
380R39.6Very low41Very low192 Ų192122.6 Ų122.673%0.72564%0.64SS**Hα-helixtrans-81.5-29.7176.4-159.9177.1-160149.26.2112.5P376P376-R380 WeakPolarHBondContact O-CB 3.45Å; P376-R380 PolarHBondContact O-N 3.28Å
381S37.9Very low39.8Very low76 Ų76124.8 Ų124.853%0.53166%0.656SS.*Hα-helixtrans-74-36177.4-70.40000113.3Q377 C383 L384 S385Q377-S381 VanDerWaalsContact O-CB 3.24Å; Q377-S381 WeakPolarHBondContact O-CB 3.29Å; Q377-S381 PolarHBondContact O-N 3.15Å; Q377-S381 PolarHBondContact O-OG 3.28Å; S381-C383 PolarHBondContact O-N 3.48Å; S381-L384 PolarHBondContact O-N 2.92Å; S381-S385 PolarHBondContact O-N 3.19Å
382S38.9Very low38.7Very low85 Ų85124.6 Ų124.659%0.59467%0.67SS**THydrogen-bonded Turntrans-67.7-15178.9-76.40000114.5Y378Y378-S382 PolarHBondContact O-N 2.9Å
383C39.1Very low37.7Very low110 Ų110124 Ų12474%0.74368%0.676SS**THydrogen-bonded Turntrans-93.4-9.3176.8-61.20000113.8S381S381-C383 PolarHBondContact O-N 3.48Å
384L35.7Very low36.8Very low138 Ų138124.6 Ų124.672%0.72369%0.686SS**THydrogen-bonded Turntrans-129.56.5-169.6-84.2164000115.2S381S381-L384 PolarHBondContact O-N 2.92Å
385S33.2Very low36.1Very low97 Ų97126.8 Ų126.868%0.67869%0.693SS**PPolyproline II helixtrans-82.8127.5175.749.10000112.8S381S381-S385 PolarHBondContact O-N 3.19Å
386L31.5Very low35.4Very low162 Ų162127.3 Ų127.385%0.84870%0.703SS**PPolyproline II helixtrans-51.5158.1-179.3-96.481.4000115.3
387P40Very low34.9Very low130 Ų130131.7 Ų131.784%0.84472%0.719SS**PPolyproline II helixtrans-79.6121.9-173.832.1-31.7000111.9
388G31.6Very low34.7Very low69 Ų69131.8 Ų131.871%0.71172%0.724SS**  trans-178.7110.5169.600000111.9
389H33.1Very low34.2Very low178 Ų178127.3 Ų127.382%0.82472%0.717SS**  trans58.797.5162.3-102.161.4000117.5
390D26.9Very low34.4Very low132 Ų132122 Ų12271%0.70671%0.705SS**  171.6134.2100.4-86.2-21.6000111.1S392D390-S392 PolarHBondContact O-N 3.47Å
391Q35.5Very low35.1Very low200 Ų200120.4 Ų120.494%0.93571%0.706SS**THydrogen-bonded Turntrans-74.584.3-174.5-64.8170.625.100110.6
392S29.6Very low36.5Very low122 Ų122117.1 Ų117.185%0.85368%0.682SS**THydrogen-bonded Turntrans-167.70.8159.2-99.10000117.7D390D390-S392 PolarHBondContact O-N 3.47Å
393S30Very low38.1Very low71 Ų71116.2 Ų116.250%0.49768%0.676SS.*  trans-113.940.9-173.663.20000114.8
394T31.8Very low39.9Very low120 Ų120111.5 Ų111.574%0.73664%0.643SS**SBendtrans-92.3-2.9176.444.30000114.4
395L30.1Very low41.7Very low156 Ų156106.2 Ų106.282%0.81762%0.617SS**SBendtrans-95.3-17.5178.2-116.181.4000115
396S32.4Very low43.6Very low80 Ų80109.8 Ų109.856%0.55962%0.62SS**SBendtrans-100.7-3.7-173.152.10000115.1T399S396-T399 PolarHBondContact O-OG1 3.23Å
397Q34.8Very low45.9Very low147 Ų147102.2 Ų102.269%0.68758%0.581SS**THydrogen-bonded Turntrans-82.5-14.6178-69.6-176.1-17.100113.4
398N33.9Very low47.5Very low152 Ų15299.5 Ų99.581%0.81357%0.565SS**THydrogen-bonded Turntrans-952.4178.3-74.6-19000114.1
399T30.9Very low49.7Very low100 Ų10099.1 Ų99.161%0.61355%0.55SS**  trans-12118.3-167.741.90000115S396 E401S396-T399 PolarHBondContact O-OG1 3.23Å; T399-E401 VanDerWaalsContact C-N 3.33Å; T399-E401 PolarHBondContact O-N 2.97Å; T399-E401 VanDerWaalsContact O-N 3.13Å
400A45.6Very low51.8Low44 Ų4491 Ų9136%0.36451%0.513SS..  trans-7989.8161.200000107.7Y379 L402 K461Y379-A400 HydrophobicContact CE1-CB 4.14Å; A400-L402 PolarHBondContact O-N 3.35Å; A400-K461 PolarHBondContact O-NZ 3.11Å
401E54.3Low54.6Low160 Ų16085.4 Ų85.475%0.74848%0.482SS*.  trans-50126.6175.6-77.5178.9162.300110.1T399 S403T399-E401 VanDerWaalsContact C-N 3.33Å; T399-E401 PolarHBondContact O-N 2.97Å; T399-E401 VanDerWaalsContact O-N 3.13Å; E401-S403 PolarHBondContact O-N 3.13Å
402L68.8Low56.9Low6 Ų683.3 Ų83.33%0.03147%0.466CS..  trans-72.597.3173.3-175.180.2000106.6A400 F454 V457 A458 I544 Q547 V548A400-L402 PolarHBondContact O-N 3.35Å; L402-F454 HydrophobicContact CB-CE2 4.5Å; L402-F454 HydrophobicContact CD1-CD2 4.06Å; L402-F454 HydrophobicContact CD1-CE2 3.97Å; L402-F454 HydrophobicContact CD2-CE1 4.49Å; L402-F454 HydrophobicContact CD2-CE2 4.04Å; L402-F454 HydrophobicContact CD2-CZ 3.84Å; L402-F454 HydrophobicContact CG-CD2 4.06Å; L402-F454 HydrophobicContact CG-CE2 3.45Å; L402-F454 VanDerWaalsContact CG-CE2 3.45Å; L402-F454 HydrophobicContact CG-CZ 3.8Å; L402-V457 HydrophobicContact CD1-CB 4.15Å; L402-V457 HydrophobicContact CD1-CG1 3.78Å; L402-A458 HydrophobicContact CD1-CB 4.24Å; L402-A458 HydrophobicContact CD2-CB 3.98Å; L402-I544 HydrophobicContact CD2-CG2 4.34Å; L402-Q547 HydrophobicContact CB-CG 4.17Å; L402-Q547 HydrophobicContact CD2-CG 4.3Å; L402-Q547 PolarHBondContact O-NE2 3.23Å; L402-V548 HydrophobicContact CD2-CG2 3.6Å
403S70.6Confident59.4Low67 Ų6780.3 Ų80.347%0.46944%0.44SS..  trans-132.6145.3-177.255.80000111.7E401 E551E401-S403 PolarHBondContact O-N 3.13Å; S403-E551 WeakPolarHBondContact CA-OE2 3.43Å
404L76.8Confident62.1Low10 Ų1077.1 Ų77.15%0.05242%0.418CS..  trans-87146.4173.5-77.3162.6000110.4K406 F454 E551 L552 L555L404-K406 PolarHBondContact O-N 3.12Å; L404-F454 HydrophobicContact CD1-CD1 4.38Å; L404-F454 HydrophobicContact CD1-CE1 4.22Å; L404-F454 HydrophobicContact CD1-CE2 4.39Å; L404-F454 HydrophobicContact CD1-CZ 4.24Å; L404-F454 HydrophobicContact CD2-CB 3.72Å; L404-F454 HydrophobicContact CD2-CD1 4.12Å; L404-F454 HydrophobicContact CD2-CD2 3.74Å; L404-F454 HydrophobicContact CD2-CE2 4.3Å; L404-F454 HydrophobicContact CD2-CG 3.61Å; L404-F454 HydrophobicContact CG-CD1 4.29Å; L404-F454 HydrophobicContact CG-CD2 3.73Å; L404-F454 HydrophobicContact CG-CE1 4.35Å; L404-F454 HydrophobicContact CG-CE2 3.77Å; L404-F454 HydrophobicContact CG-CG 3.98Å; L404-F454 HydrophobicContact CG-CZ 4.11Å; L404-E551 HydrophobicContact CD1-CB 4.05Å; L404-E551 HydrophobicContact CG-CB 4.42Å; L404-E551 PolarHBondContact N-OE2 3.28Å; L404-L552 HydrophobicContact CD1-CD2 3.74Å; L404-L552 HydrophobicContact CD1-CG 4.28Å; L404-L555 HydrophobicContact CB-CD2 4.35Å; L404-L555 HydrophobicContact CD1-CD2 3.79Å; L404-L555 HydrophobicContact CD2-CD2 4.47Å; L404-L555 HydrophobicContact CG-CD2 4.41Å
405P73.6Confident64.7Low27 Ų2774.3 Ų74.318%0.17540%0.398CS..  trans-60.8133.9176.1-24.236.7000111.9K372 H407K372-P405 VanDerWaalsContact CE-CG 3.48Å; P405-H407 PolarHBondContact O-N 3.48Å
406K74.5Confident67.4Low172 Ų17272.1 Ų72.175%0.74838%0.379SS*.  trans-83.3115.5174.7-63.5-176.8-179179.70110L404 S408L404-K406 PolarHBondContact O-N 3.12Å; K406-S408 VanDerWaalsContact C-N 3.3Å; K406-S408 PolarHBondContact O-N 2.89Å
407H78.3Confident70.1Confident4 Ų469.2 Ų69.22%0.01936%0.355CS..  trans-87.612.6177.3-63.9-66.8000113.9F368 P405 P409 L410 H411 Y447 E450F368-H407 AromaticContact CE1-ND1 3.83Å; P405-H407 PolarHBondContact O-N 3.48Å; H407-P409 VanDerWaalsContact C-CD 3.43Å; H407-L410 HydrophobicContact CB-CB 4.46Å; H407-L410 HydrophobicContact CB-CD2 4.1Å; H407-L410 VanDerWaalsContact O-CB 3.25Å; H407-L410 WeakPolarHBondContact O-CB 3.28Å; H407-L410 PolarHBondContact O-N 3Å; H407-L410 VanDerWaalsContact O-N 3.1Å; H407-H411 PolarHBondContact O-N 3.34Å; H407-Y447 AromaticContact CD2-CE1 3.38Å; H407-Y447 WeakPolarHBondContact CD2-CE1 3.31Å; H407-Y447 AromaticContact CD2-CZ 3.65Å; H407-Y447 PolarHBondContact CD2-OH 3.37Å; H407-Y447 AromaticContact NE2-CE1 3.57Å; H407-E450 IonicContact CE1-OE1 2.73Å; H407-E450 IonicContact CE1-OE2 3.78Å; H407-E450 PolarHBondContact CE1-OE2 3.05Å; H407-E450 IonicContact NE2-OE1 3.34Å; H407-E450 IonicContact NE2-OE2 3.91Å; H407-E450 PolarHBondContact NE2-OE2 3.03Å
408S75.3Confident72.6Confident72 Ų7262.6 Ų62.650%0.50333%0.326SS..Hα-helixtrans-56-37.5179.6-44.40000115K406 H411 R412K406-S408 VanDerWaalsContact C-N 3.3Å; K406-S408 PolarHBondContact O-N 2.89Å; S408-H411 PolarHBondContact O-N 3.21Å; S408-R412 WeakPolarHBondContact O-CB 3.33Å; S408-R412 PolarHBondContact O-N 3.41Å
409P76.7Confident75.1Confident62 Ų6260.8 Ų60.840%0.40331%0.311SS..Hα-helixtrans-64.3-40.5175.7-21.934.2000112.7H407 R412 D413H407-P409 VanDerWaalsContact C-CD 3.43Å; P409-R412 PolarHBondContact O-N 2.95Å; P409-D413 PolarHBondContact O-N 3.44Å; P409-D413 VanDerWaalsContact O-N 3.11Å
410L78.5Confident77.8Confident7 Ų756 Ų564%0.03728%0.281CS..Hα-helixtrans-58.2-51.8174161.876.8000110.5Q364 H407 R412 D413 L414 M443Q364-L410 HydrophobicContact CB-CD1 4.3Å; Q364-L410 HydrophobicContact CG-CD1 3.07Å; Q364-L410 HydrophobicContact CG-CG 4.43Å; Q364-L410 VanDerWaalsContact NE2-CD1 3.33Å; H407-L410 HydrophobicContact CB-CB 4.46Å; H407-L410 HydrophobicContact CB-CD2 4.1Å; H407-L410 VanDerWaalsContact O-CB 3.25Å; H407-L410 WeakPolarHBondContact O-CB 3.28Å; H407-L410 PolarHBondContact O-N 3Å; H407-L410 VanDerWaalsContact O-N 3.1Å; L410-R412 VanDerWaalsContact C-N 3.33Å; L410-R412 PolarHBondContact O-N 3.28Å; L410-D413 PolarHBondContact O-N 2.98Å; L410-L414 HydrophobicContact CD1-CD1 3.81Å; L410-L414 HydrophobicContact CD1-CG 4.31Å; L410-L414 HydrophobicContact CG-CD1 4.23Å; L410-L414 WeakPolarHBondContact O-CG 3.47Å; L410-L414 PolarHBondContact O-N 3.48Å; L410-M443 HydrophobicContact CD2-CE 3.29Å; L410-M443 HydrophobicContact CD2-SD 4Å
411H84.4Confident79.9Confident15 Ų1553.9 Ų53.97%0.06926%0.264CS..Hα-helixtrans-58.9-44.9179.9-63.6158000111.4H407 S408 D413 L414 L415 E559 F562H407-H411 PolarHBondContact O-N 3.34Å; S408-H411 PolarHBondContact O-N 3.21Å; H411-D413 PolarHBondContact O-N 2.88Å; H411-L414 PolarHBondContact O-N 3Å; H411-L415 WeakPolarHBondContact O-CB 3.43Å; H411-L415 WeakPolarHBondContact O-CG 3.37Å; H411-L415 PolarHBondContact O-N 3.43Å; H411-E559 IonicContact CD2-OE2 3.38Å; H411-E559 IonicContact CE1-OE2 3.09Å; H411-E559 PolarHBondContact CE1-OE2 3Å; H411-E559 IonicContact NE2-OE2 3.14Å; H411-E559 PolarHBondContact NE2-OE2 2.82Å; H411-F562 HydrophobicContact CB-CB 4.39Å; H411-F562 HydrophobicContact CB-CD2 3.54Å; H411-F562 HydrophobicContact CB-CE2 4.15Å; H411-F562 HydrophobicContact CB-CG 4.13Å; H411-F562 AromaticContact CD2-CD1 3.79Å; H411-F562 AromaticContact CD2-CD2 3.58Å; H411-F562 AromaticContact CD2-CG 3.36Å; H411-F562 WeakPolarHBondContact CD2-CG 3.16Å; H411-F562 AromaticContact CG-CD2 3.72Å; H411-F562 AromaticContact CG-CG 3.78Å; H411-F562 AromaticContact NE2-CG 3.88Å
412R83.4Confident81.4Confident156 Ų15650.1 Ų50.159%0.58925%0.246SC*.Hα-helixtrans-60.7-41.5179.1-175.1-17465.1-160.3-3.2112.8S408 P409 L410S408-R412 WeakPolarHBondContact O-CB 3.33Å; S408-R412 PolarHBondContact O-N 3.41Å; P409-R412 PolarHBondContact O-N 2.95Å; L410-R412 VanDerWaalsContact C-N 3.33Å; L410-R412 PolarHBondContact O-N 3.28Å
413D82.6Confident82.4Confident59 Ų5950.3 Ų50.332%0.31625%0.247SC..Hα-helixtrans-73.8-35.7-177.9-68.5-20.8000111.7P409 L410 H411 R416P409-D413 PolarHBondContact O-N 3.44Å; P409-D413 VanDerWaalsContact O-N 3.11Å; L410-D413 PolarHBondContact O-N 2.98Å; H411-D413 PolarHBondContact O-N 2.88Å; D413-R416 IonicContact OD1-CZ 2.93Å; D413-R416 IonicContact OD1-NE 3.71Å; D413-R416 IonicContact OD1-NH2 2.7Å; D413-R416 PolarHBondContact OD1-NH2 3.43Å
414L85.9Confident83.3Confident4 Ų447.1 Ų47.12%0.02122%0.224CC..Hα-helixtrans-71.9-37.1173.9-69.9-179.7000113V360 F361 L410 H411 R416 Y417 Y439 F562 F566V360-L414 HydrophobicContact CG1-CD2 3.77Å; F361-L414 HydrophobicContact CD1-CD1 4.37Å; F361-L414 HydrophobicContact CD1-CD2 4.02Å; F361-L414 HydrophobicContact CE1-CD1 4.08Å; F361-L414 HydrophobicContact CE1-CD2 3.7Å; L410-L414 HydrophobicContact CD1-CD1 3.81Å; L410-L414 HydrophobicContact CD1-CG 4.31Å; L410-L414 HydrophobicContact CG-CD1 4.23Å; L410-L414 WeakPolarHBondContact O-CG 3.47Å; L410-L414 PolarHBondContact O-N 3.48Å; H411-L414 PolarHBondContact O-N 3Å; L414-R416 PolarHBondContact O-N 3.19Å; L414-Y417 WeakPolarHBondContact O-CD2 3.37Å; L414-Y417 PolarHBondContact O-N 3.39Å; L414-Y439 HydrophobicContact CD1-CE2 3.98Å; L414-F562 HydrophobicContact CB-CE2 3.71Å; L414-F562 HydrophobicContact CB-CZ 3.65Å; L414-F562 HydrophobicContact CD1-CE1 4.45Å; L414-F562 HydrophobicContact CD1-CE2 4.42Å; L414-F562 HydrophobicContact CD1-CZ 3.73Å; L414-F562 HydrophobicContact CG-CZ 4.36Å; L414-F566 HydrophobicContact CB-CD2 4.36Å; L414-F566 HydrophobicContact CB-CE2 4.16Å; L414-F566 WeakPolarHBondContact O-CD2 3.16Å; L414-F566 WeakPolarHBondContact O-CE2 3.26Å
415L87Confident83.8Confident61 Ų6149.2 Ų49.232%0.31923%0.233SC..Hα-helixtrans-58.5-21.5-179.4-80.4170.8000113.7H411 Y417 A418 F562 K565 F566H411-L415 WeakPolarHBondContact O-CB 3.43Å; H411-L415 WeakPolarHBondContact O-CG 3.37Å; H411-L415 PolarHBondContact O-N 3.43Å; L415-Y417 PolarHBondContact O-N 3.05Å; L415-A418 WeakPolarHBondContact O-CB 3.41Å; L415-A418 PolarHBondContact O-N 2.92Å; L415-A418 VanDerWaalsContact O-N 3.09Å; L415-F562 HydrophobicContact CD1-CD2 4.43Å; L415-F562 HydrophobicContact CD2-CD2 4.13Å; L415-F562 HydrophobicContact CD2-CE2 4.22Å; L415-F562 HydrophobicContact CG-CD2 3.94Å; L415-F562 HydrophobicContact CG-CE2 3.96Å; L415-K565 HydrophobicContact CD2-CB 3.73Å; L415-F566 HydrophobicContact CD2-CB 4.26Å
416R87.6Confident84.3Confident110 Ų11052.9 Ų52.942%0.41525%0.251SS..THydrogen-bonded Turntrans-60.2-27.9173.7-56.1-176.3-161.6-170.69.9112.7I307 D413 L414I307-R416 HydrophobicContact CD1-CB 4.42Å; D413-R416 IonicContact OD1-CZ 2.93Å; D413-R416 IonicContact OD1-NE 3.71Å; D413-R416 IonicContact OD1-NH2 2.7Å; D413-R416 PolarHBondContact OD1-NH2 3.43Å; L414-R416 PolarHBondContact O-N 3.19Å
417Y88.5Confident84.7Confident18 Ų1845.9 Ų45.97%0.07122%0.223CC..THydrogen-bonded Turntrans-92.12.6179-52.9-87.3000113.3L301 I307 H356 L357 L414 L415 K419 L420 M421L301-Y417 WeakPolarHBondContact O-CE1 3.44Å; L301-Y417 PolarHBondContact O-OH 3.2Å; I307-Y417 HydrophobicContact CD1-CD1 4.21Å; I307-Y417 HydrophobicContact CD1-CE1 3.55Å; I307-Y417 HydrophobicContact CD1-CE2 4.43Å; I307-Y417 HydrophobicContact CG1-CD1 4.42Å; I307-Y417 HydrophobicContact CG1-CE1 3.88Å; H356-Y417 AromaticContact CD2-CE1 3.89Å; H356-Y417 AromaticContact NE2-CE1 3.77Å; H356-Y417 AromaticContact NE2-CZ 3.72Å; H356-Y417 PolarHBondContact NE2-OH 2.94Å; H356-Y417 VanDerWaalsContact NE2-OH 3.12Å; L357-Y417 HydrophobicContact CD2-CD1 3.94Å; L357-Y417 HydrophobicContact CD2-CD2 3.99Å; L357-Y417 HydrophobicContact CD2-CE1 4.41Å; L357-Y417 HydrophobicContact CD2-CE2 4.47Å; L357-Y417 HydrophobicContact CD2-CG 3.7Å; L414-Y417 WeakPolarHBondContact O-CD2 3.37Å; L414-Y417 PolarHBondContact O-N 3.39Å; L415-Y417 PolarHBondContact O-N 3.05Å; Y417-K419 VanDerWaalsContact C-N 3.3Å; Y417-K419 PolarHBondContact O-N 3.15Å; Y417-L420 HydrophobicContact CD1-CD1 4.19Å; Y417-L420 WeakPolarHBondContact O-CA 3.33Å; Y417-L420 WeakPolarHBondContact O-CB 3.36Å; Y417-L420 PolarHBondContact O-N 2.98Å; Y417-M421 PolarHBondContact O-N 2.77Å
418A87.6Confident85.1Confident8 Ų847.3 Ų47.37%0.06623%0.229CC..Hα-helixtrans-58-38-173.900000113.5L415 M421 E422 F566L415-A418 WeakPolarHBondContact O-CB 3.41Å; L415-A418 PolarHBondContact O-N 2.92Å; L415-A418 VanDerWaalsContact O-N 3.09Å; A418-M421 PolarHBondContact O-N 3.05Å; A418-E422 PolarHBondContact O-N 3.22Å; A418-F566 HydrophobicContact CB-CD2 4.43Å
419K86.9Confident85.6Confident114 Ų11452.3 Ų52.350%0.49624%0.237SC..Hα-helixtrans-68.3-34.5174.9-70.9-171.2171.9-166.70112.8I311 Y417 E422 W423I311-K419 HydrophobicContact CD1-CB 4.03Å; I311-K419 HydrophobicContact CD1-CD 4.28Å; I311-K419 HydrophobicContact CG1-CB 4.16Å; I311-K419 HydrophobicContact CG2-CB 4.16Å; I311-K419 HydrophobicContact CG2-CD 3.8Å; Y417-K419 VanDerWaalsContact C-N 3.3Å; Y417-K419 PolarHBondContact O-N 3.15Å; K419-E422 WeakPolarHBondContact O-CB 3.38Å; K419-E422 PolarHBondContact O-N 3.31Å; K419-W423 PolarHBondContact O-N 3.12Å
420L88Confident86.1Confident0 Ų057.7 Ų57.70%026%0.257CS..Hα-helixtrans-72.4-33.4176-66177.1000111.5L301 I307 I311 F349 L353 Y417 W423 L424L301-L420 HydrophobicContact CD2-CD1 4.36Å; I307-L420 HydrophobicContact CG2-CD1 4.09Å; I311-L420 HydrophobicContact CB-CD2 4.35Å; I311-L420 HydrophobicContact CD1-CG 4.4Å; I311-L420 HydrophobicContact CG1-CD1 4.25Å; I311-L420 HydrophobicContact CG1-CD2 3.58Å; I311-L420 HydrophobicContact CG1-CG 3.61Å; F349-L420 HydrophobicContact CE1-CD2 4.13Å; F349-L420 HydrophobicContact CZ-CD2 3.95Å; L353-L420 HydrophobicContact CD1-CB 4.19Å; L353-L420 HydrophobicContact CD1-CD1 4Å; L353-L420 HydrophobicContact CD2-CB 3.86Å; Y417-L420 HydrophobicContact CD1-CD1 4.19Å; Y417-L420 WeakPolarHBondContact O-CA 3.33Å; Y417-L420 WeakPolarHBondContact O-CB 3.36Å; Y417-L420 PolarHBondContact O-N 2.98Å; L420-W423 PolarHBondContact O-N 3.22Å; L420-L424 WeakPolarHBondContact O-CB 3.05Å; L420-L424 PolarHBondContact O-N 3.14Å
421M87.8Confident86.5Confident0 Ų060 Ų600%027%0.267CS..Hα-helixtrans-64.9-39.5170.5-76.6-62.7-69.200112.1L357 Y417 A418 L424 K425 Y432 L435 F566 F567L357-M421 HydrophobicContact CD1-CG 4.34Å; L357-M421 HydrophobicContact CD1-SD 3.58Å; L357-M421 VanDerWaalsContact CD1-SD 3.58Å; Y417-M421 PolarHBondContact O-N 2.77Å; A418-M421 PolarHBondContact O-N 3.05Å; M421-L424 PolarHBondContact O-N 2.87Å; M421-K425 PolarHBondContact O-N 2.89Å; M421-Y432 HydrophobicContact CE-CD2 3.73Å; M421-Y432 HydrophobicContact CE-CE2 3.84Å; M421-L435 HydrophobicContact CE-CB 4.45Å; M421-L435 HydrophobicContact CE-CD1 4.45Å; M421-L435 HydrophobicContact SD-CD1 3.91Å; M421-F566 HydrophobicContact CE-CE1 3.96Å; M421-F566 HydrophobicContact CE-CZ 4.44Å; M421-F566 HydrophobicContact CG-CD1 4.45Å; M421-F566 HydrophobicContact CG-CD2 4.49Å; M421-F566 HydrophobicContact CG-CE1 3.82Å; M421-F566 HydrophobicContact CG-CE2 3.84Å; M421-F566 HydrophobicContact CG-CZ 3.47Å; M421-F566 VanDerWaalsContact CG-CZ 3.47Å; M421-F566 HydrophobicContact SD-CE1 4.22Å; M421-F566 HydrophobicContact SD-CZ 4.1Å; M421-F567 HydrophobicContact CE-CD1 3.74Å; M421-F567 HydrophobicContact CE-CE1 3.57Å
422E87.4Confident86.7Confident80 Ų8059.8 Ų59.837%0.37427%0.265SS..Hα-helixtrans-61.8-46.5172.9-167.4173.5174.900111.9A418 K419 L424 K425 N426 K568A418-E422 PolarHBondContact O-N 3.22Å; K419-E422 WeakPolarHBondContact O-CB 3.38Å; K419-E422 PolarHBondContact O-N 3.31Å; E422-L424 VanDerWaalsContact C-N 3.28Å; E422-L424 PolarHBondContact O-N 3.49Å; E422-K425 WeakPolarHBondContact O-CB 3.47Å; E422-K425 PolarHBondContact O-N 3.48Å; E422-N426 PolarHBondContact O-N 3.33Å; E422-N426 VanDerWaalsContact O-N 3.09Å; E422-K568 HydrophobicContact CB-CG 3.96Å; E422-K568 HydrophobicContact CG-CG 4.12Å; E422-K568 WeakPolarHBondContact OE2-CE 2.71Å
423W89.5Confident86.9Confident10 Ų1055.3 Ų55.34%0.03825%0.251CS..Hα-helixtrans-58-42.4174.1178.989.1000111.6S314 L317 R346 F349 A350 K419 L420 N426 T427S314-W423 PolarHBondContact O-NE1 3.25Å; L317-W423 HydrophobicContact CD2-CZ2 4.24Å; R346-W423 HydrophobicContact CB-CZ2 4.4Å; R346-W423 HydrophobicContact CG-CH2 3.84Å; R346-W423 HydrophobicContact CG-CZ2 3.78Å; F349-W423 HydrophobicContact CB-CH2 4.48Å; F349-W423 HydrophobicContact CD1-CE3 4.1Å; F349-W423 AromaticContact CD1-CH2 3.54Å; F349-W423 HydrophobicContact CD1-CH2 3.54Å; F349-W423 HydrophobicContact CD1-CZ2 4.06Å; F349-W423 AromaticContact CD1-CZ3 3.53Å; F349-W423 HydrophobicContact CD1-CZ3 3.53Å; F349-W423 HydrophobicContact CE1-CE3 4.06Å; F349-W423 HydrophobicContact CE1-CH2 4.3Å; F349-W423 AromaticContact CE1-CZ3 3.95Å; F349-W423 HydrophobicContact CE1-CZ3 3.95Å; F349-W423 HydrophobicContact CG-CH2 4.48Å; A350-W423 HydrophobicContact CB-CH2 4.15Å; A350-W423 HydrophobicContact CB-CZ3 3.98Å; K419-W423 PolarHBondContact O-N 3.12Å; L420-W423 PolarHBondContact O-N 3.22Å; W423-N426 PolarHBondContact O-N 3Å; W423-T427 HydrophobicContact CD2-CG2 4.21Å; W423-T427 HydrophobicContact CZ2-CG2 4Å; W423-T427 WeakPolarHBondContact O-CB 3.47Å; W423-T427 WeakPolarHBondContact O-CG2 3.31Å; W423-T427 PolarHBondContact O-N 3.47Å; W423-T427 PolarHBondContact O-OG1 3.43Å
424L88.7Confident87.1Confident0 Ų053.8 Ų53.80%025%0.25CC..Hα-helixtrans-66.9-38.2177.1-167.371.6000112.3A350 L420 M421 E422 N426 T427 H428 K431 L435A350-L424 HydrophobicContact CB-CD1 3.8Å; L420-L424 WeakPolarHBondContact O-CB 3.05Å; L420-L424 PolarHBondContact O-N 3.14Å; M421-L424 PolarHBondContact O-N 2.87Å; E422-L424 VanDerWaalsContact C-N 3.28Å; E422-L424 PolarHBondContact O-N 3.49Å; L424-N426 VanDerWaalsContact C-N 3.29Å; L424-N426 PolarHBondContact O-N 3.47Å; L424-T427 PolarHBondContact O-N 2.81Å; L424-H428 HydrophobicContact CD1-CB 3.97Å; L424-H428 CarbonylContact O-C 3.53Å; L424-H428 WeakPolarHBondContact O-CA 3.33Å; L424-H428 PolarHBondContact O-N 3.38Å; L424-K431 HydrophobicContact CD1-CB 4.16Å; L424-K431 HydrophobicContact CD1-CD 4.5Å; L424-K431 HydrophobicContact CD2-CB 4.23Å; L424-K431 HydrophobicContact CG-CB 4.4Å; L424-L435 HydrophobicContact CD2-CD1 3.5Å
425K86.9Confident87.2Confident54 Ų5453.7 Ų53.724%0.23525%0.249CC..Hα-helixtrans-57.9-42.4174.3-174.8-178.4175.9-175.30111M421 E422 Y432 K568 E608M421-K425 PolarHBondContact O-N 2.89Å; E422-K425 WeakPolarHBondContact O-CB 3.47Å; E422-K425 PolarHBondContact O-N 3.48Å; K425-Y432 HydrophobicContact CB-CD1 4.49Å; K425-Y432 HydrophobicContact CB-CD2 3.77Å; K425-Y432 HydrophobicContact CB-CE2 3.94Å; K425-Y432 HydrophobicContact CB-CG 4.06Å; K425-Y432 HydrophobicContact CD-CE2 4.37Å; K425-Y432 HydrophobicContact CG-CD1 4.36Å; K425-Y432 HydrophobicContact CG-CD2 4.38Å; K425-Y432 HydrophobicContact CG-CE1 4.26Å; K425-Y432 HydrophobicContact CG-CE2 4.26Å; K425-Y432 HydrophobicContact CG-CG 4.43Å; K425-K568 PolarHBondContact NZ-O 3.5Å; K425-E608 IonicContact NZ-OE1 3.57Å; K425-E608 PolarHBondContact NZ-OE1 3.3Å
426N84.9Confident87.3Confident104 Ų10451.4 Ų51.456%0.55624%0.238SC*.Hα-helixtrans-80-27.7-176.8-65.8-18.4000113.7E422 W423 L424E422-N426 PolarHBondContact O-N 3.33Å; E422-N426 VanDerWaalsContact O-N 3.09Å; W423-N426 PolarHBondContact O-N 3Å; L424-N426 VanDerWaalsContact C-N 3.29Å; L424-N426 PolarHBondContact O-N 3.47Å
427T83.7Confident87.4Confident25 Ų2553.2 Ų53.215%0.15325%0.245CC..Hα-helixtrans-101.7-40.1-175.454.60000114.1L318 R346 W423 L424L318-T427 HydrophobicContact CD1-CG2 3.98Å; R346-T427 HydrophobicContact CG-CG2 4.32Å; W423-T427 HydrophobicContact CD2-CG2 4.21Å; W423-T427 HydrophobicContact CZ2-CG2 4Å; W423-T427 WeakPolarHBondContact O-CB 3.47Å; W423-T427 WeakPolarHBondContact O-CG2 3.31Å; W423-T427 PolarHBondContact O-N 3.47Å; W423-T427 PolarHBondContact O-OG1 3.43Å; L424-T427 PolarHBondContact O-N 2.81Å
428H85.9Confident87.4Confident34 Ų3454.2 Ų54.216%0.15725%0.253CS..  trans-141.479.8-174.9-73.4-73.4000112.1R346 D347 A350 L424 E430 K431 Y432R346-H428 PolarHBondContact NE-NE2 3.3Å; R346-H428 VanDerWaalsContact NE-NE2 3.15Å; D347-H428 IonicContact OD1-CE1 2.88Å; D347-H428 PolarHBondContact OD1-CE1 3.29Å; D347-H428 IonicContact OD1-NE2 3.84Å; D347-H428 PolarHBondContact OD1-NE2 2.99Å; A350-H428 WeakPolarHBondContact CB-CD2 3.47Å; L424-H428 HydrophobicContact CD1-CB 3.97Å; L424-H428 CarbonylContact O-C 3.53Å; L424-H428 WeakPolarHBondContact O-CA 3.33Å; L424-H428 PolarHBondContact O-N 3.38Å; H428-E430 VanDerWaalsContact C-N 3.33Å; H428-E430 PolarHBondContact O-N 3.27Å; H428-K431 HydrophobicContact CB-CB 4.22Å; H428-K431 HydrophobicContact CB-CD 4.19Å; H428-K431 HydrophobicContact CB-CG 4.36Å; H428-K431 PolarHBondContact O-N 3.14Å; H428-Y432 PolarHBondContact O-N 2.98Å; H428-Y432 VanDerWaalsContact O-N 3.13Å
429R85.9Confident87.5Confident177 Ų17754 Ų5467%0.66825%0.251SS*.Hα-helixtrans-56.3-40.4-178.3-170.3172.8179.7144.30.9114K431 Y432 E433R429-K431 PolarHBondContact O-N 3.16Å; R429-Y432 WeakPolarHBondContact O-CB 3.28Å; R429-Y432 PolarHBondContact O-N 2.69Å; R429-E433 HydrophobicContact CG-CG 4.37Å; R429-E433 IonicContact NE-OE1 2.96Å; R429-E433 PolarHBondContact NE-OE1 2.98Å; R429-E433 VanDerWaalsContact NE-OE1 3.09Å; R429-E433 WeakPolarHBondContact O-CG 3.26Å; R429-E433 PolarHBondContact O-N 2.96Å
430E87Confident87.7Confident175 Ų17548.9 Ų48.982%0.81823%0.229SC*.Hα-helixtrans-62.4-42.8179.6-65.3-176.1166.300113H428 E433 G434H428-E430 VanDerWaalsContact C-N 3.33Å; H428-E430 PolarHBondContact O-N 3.27Å; E430-E433 PolarHBondContact O-N 3.21Å; E430-G434 PolarHBondContact O-N 3.13Å
431K86.8Confident87.7Confident55 Ų5553.4 Ų53.424%0.23925%0.253CS..Hα-helixtrans-68-38.9177.7-69.3-178.3-177.8169.30111.1D347 A350 L424 H428 R429 G434 L435D347-K431 PolarHBondContact O-NZ 3.47Å; A350-K431 HydrophobicContact CB-CD 4.06Å; L424-K431 HydrophobicContact CD1-CB 4.16Å; L424-K431 HydrophobicContact CD1-CD 4.5Å; L424-K431 HydrophobicContact CD2-CB 4.23Å; L424-K431 HydrophobicContact CG-CB 4.4Å; H428-K431 HydrophobicContact CB-CB 4.22Å; H428-K431 HydrophobicContact CB-CD 4.19Å; H428-K431 HydrophobicContact CB-CG 4.36Å; H428-K431 PolarHBondContact O-N 3.14Å; R429-K431 PolarHBondContact O-N 3.16Å; K431-G434 PolarHBondContact O-N 3.38Å; K431-L435 WeakPolarHBondContact O-CG 3.32Å; K431-L435 PolarHBondContact O-N 2.88Å
432Y89.1Confident87.7Confident11 Ų1156.5 Ų56.54%0.04327%0.265CS..Hα-helixtrans-61.7-47.6173.8167.1-89.5000112M421 K425 H428 R429 G434 L435 S436 F567M421-Y432 HydrophobicContact CE-CD2 3.73Å; M421-Y432 HydrophobicContact CE-CE2 3.84Å; K425-Y432 HydrophobicContact CB-CD1 4.49Å; K425-Y432 HydrophobicContact CB-CD2 3.77Å; K425-Y432 HydrophobicContact CB-CE2 3.94Å; K425-Y432 HydrophobicContact CB-CG 4.06Å; K425-Y432 HydrophobicContact CD-CE2 4.37Å; K425-Y432 HydrophobicContact CG-CD1 4.36Å; K425-Y432 HydrophobicContact CG-CD2 4.38Å; K425-Y432 HydrophobicContact CG-CE1 4.26Å; K425-Y432 HydrophobicContact CG-CE2 4.26Å; K425-Y432 HydrophobicContact CG-CG 4.43Å; H428-Y432 PolarHBondContact O-N 2.98Å; H428-Y432 VanDerWaalsContact O-N 3.13Å; R429-Y432 WeakPolarHBondContact O-CB 3.28Å; R429-Y432 PolarHBondContact O-N 2.69Å; Y432-G434 VanDerWaalsContact C-N 3.33Å; Y432-G434 PolarHBondContact O-N 2.88Å; Y432-L435 PolarHBondContact O-N 2.95Å; Y432-S436 WeakPolarHBondContact O-CB 3.14Å; Y432-S436 PolarHBondContact O-N 3.41Å; Y432-S436 PolarHBondContact O-OG 3.39Å; Y432-F567 AromaticContact CE2-CD1 3.87Å; Y432-F567 HydrophobicContact CE2-CD1 3.87Å; Y432-F567 AromaticContact CZ-CD1 3.94Å; Y432-F567 WeakPolarHBondContact OH-CB 3.49Å; Y432-F567 PolarHBondContact OH-O 2.77Å
433E86.9Confident87.7Confident63 Ų6353.2 Ų53.229%0.29425%0.25SC..Hα-helixtrans-64.9-38.6177-73.3-177.2-167.200111.6R429 E430 S436 R437R429-E433 HydrophobicContact CG-CG 4.37Å; R429-E433 IonicContact NE-OE1 2.96Å; R429-E433 PolarHBondContact NE-OE1 2.98Å; R429-E433 VanDerWaalsContact NE-OE1 3.09Å; R429-E433 WeakPolarHBondContact O-CG 3.26Å; R429-E433 PolarHBondContact O-N 2.96Å; E430-E433 PolarHBondContact O-N 3.21Å; E433-S436 PolarHBondContact O-N 3.2Å; E433-R437 WeakPolarHBondContact O-CG 3.46Å; E433-R437 PolarHBondContact O-N 3.26Å; E433-R437 IonicContact OE2-NH2 2.94Å; E433-R437 PolarHBondContact OE2-NH2 3.03Å; E433-R437 VanDerWaalsContact OE2-NH2 3.14Å
434G87.7Confident87.7Confident27 Ų2753.7 Ų53.728%0.27825%0.253SS..Hα-helixtrans-57.2-52.5172.400000112.3E430 K431 Y432 S436 R437 T438E430-G434 PolarHBondContact O-N 3.13Å; K431-G434 PolarHBondContact O-N 3.38Å; Y432-G434 VanDerWaalsContact C-N 3.33Å; Y432-G434 PolarHBondContact O-N 2.88Å; G434-S436 VanDerWaalsContact C-N 3.3Å; G434-S436 PolarHBondContact O-N 3.46Å; G434-R437 PolarHBondContact O-N 2.89Å; G434-T438 PolarHBondContact O-N 3.28Å; G434-T438 PolarHBondContact O-OG1 3.17Å; G434-T438 VanDerWaalsContact O-OG1 3.07Å
435L88.3Confident87.7Confident1 Ų160.2 Ų60.21%0.00528%0.278CS..Hα-helixtrans-59.8-40.1175.9-75.9177.2000112.6T354 L357 N358 F361 M421 L424 K431 Y432 R437 T438 Y439T354-L435 HydrophobicContact CG2-CD1 4.36Å; T354-L435 HydrophobicContact CG2-CD2 3.84Å; T354-L435 HydrophobicContact CG2-CG 3.98Å; L357-L435 HydrophobicContact CB-CD1 4.38Å; L357-L435 HydrophobicContact CB-CD2 4.14Å; L357-L435 HydrophobicContact CD1-CD1 3.85Å; N358-L435 WeakPolarHBondContact OD1-CD2 2.97Å; F361-L435 HydrophobicContact CE2-CD2 4.14Å; M421-L435 HydrophobicContact CE-CB 4.45Å; M421-L435 HydrophobicContact CE-CD1 4.45Å; M421-L435 HydrophobicContact SD-CD1 3.91Å; L424-L435 HydrophobicContact CD2-CD1 3.5Å; K431-L435 WeakPolarHBondContact O-CG 3.32Å; K431-L435 PolarHBondContact O-N 2.88Å; Y432-L435 PolarHBondContact O-N 2.95Å; L435-R437 VanDerWaalsContact C-N 3.34Å; L435-R437 PolarHBondContact O-N 2.89Å; L435-T438 PolarHBondContact O-N 3.03Å; L435-Y439 WeakPolarHBondContact O-CB 3.25Å; L435-Y439 PolarHBondContact O-N 3.41Å
436S88.8Confident87.6Confident14 Ų1458 Ų5810%0.09827%0.269CS..Hα-helixtrans-62.1-42.8178.3-54.90000111.3Y432 E433 G434 V440 F567Y432-S436 WeakPolarHBondContact O-CB 3.14Å; Y432-S436 PolarHBondContact O-N 3.41Å; Y432-S436 PolarHBondContact O-OG 3.39Å; E433-S436 PolarHBondContact O-N 3.2Å; G434-S436 VanDerWaalsContact C-N 3.3Å; G434-S436 PolarHBondContact O-N 3.46Å; S436-V440 VanDerWaalsContact O-CG2 3.27Å; S436-V440 WeakPolarHBondContact O-CG2 3.37Å; S436-V440 PolarHBondContact O-N 3.47Å; S436-F567 WeakPolarHBondContact OG-CD1 3.43Å; S436-F567 WeakPolarHBondContact OG-CE1 3.29Å
437R89.1Confident87.8Confident147 Ų14753.1 Ų53.156%0.55524%0.242SC*.Hα-helixtrans-65-47.7174.8-68.6172.9-160.5148.49.7111.2E433 G434 L435 Y439 V440 D441E433-R437 WeakPolarHBondContact O-CG 3.46Å; E433-R437 PolarHBondContact O-N 3.26Å; E433-R437 IonicContact OE2-NH2 2.94Å; E433-R437 PolarHBondContact OE2-NH2 3.03Å; E433-R437 VanDerWaalsContact OE2-NH2 3.14Å; G434-R437 PolarHBondContact O-N 2.89Å; L435-R437 VanDerWaalsContact C-N 3.34Å; L435-R437 PolarHBondContact O-N 2.89Å; R437-Y439 VanDerWaalsContact C-N 3.31Å; R437-Y439 PolarHBondContact O-N 2.96Å; R437-V440 PolarHBondContact O-N 2.85Å; R437-V440 VanDerWaalsContact O-N 3.16Å; R437-D441 VanDerWaalsContact O-CG 3.24Å; R437-D441 PolarHBondContact O-N 2.82Å
438T88.9Confident88Confident40 Ų4054.7 Ų54.725%0.24525%0.248CC..Hα-helixtrans-58.7-42.6178.4-59.50000112G434 L435 D441 Y442G434-T438 PolarHBondContact O-N 3.28Å; G434-T438 PolarHBondContact O-OG1 3.17Å; G434-T438 VanDerWaalsContact O-OG1 3.07Å; L435-T438 PolarHBondContact O-N 3.03Å; T438-D441 PolarHBondContact O-N 3.27Å; T438-Y442 HydrophobicContact CG2-CD2 3.62Å; T438-Y442 HydrophobicContact CG2-CE2 3.27Å; T438-Y442 WeakPolarHBondContact O-CD2 3.47Å; T438-Y442 PolarHBondContact O-N 3.45Å
439Y89.8Confident88Confident4 Ų457.7 Ų57.72%0.01626%0.258CS..Hα-helixtrans-59.7-51.1173.4176.5-95000111.8F361 L414 L435 R437 D441 Y442 M443 E559 F562 I563 F567 I619F361-Y439 HydrophobicContact CD1-CD2 4.23Å; F361-Y439 AromaticContact CE1-CD2 3.93Å; F361-Y439 HydrophobicContact CE1-CD2 3.93Å; F361-Y439 HydrophobicContact CZ-CD2 4.1Å; L414-Y439 HydrophobicContact CD1-CE2 3.98Å; L435-Y439 WeakPolarHBondContact O-CB 3.25Å; L435-Y439 PolarHBondContact O-N 3.41Å; R437-Y439 VanDerWaalsContact C-N 3.31Å; R437-Y439 PolarHBondContact O-N 2.96Å; Y439-D441 VanDerWaalsContact C-N 3.31Å; Y439-D441 PolarHBondContact O-N 3.4Å; Y439-Y442 PolarHBondContact O-N 3.48Å; Y439-M443 HydrophobicContact CD1-CG 4.19Å; Y439-M443 HydrophobicContact CD2-CG 4.07Å; Y439-M443 HydrophobicContact CE1-CB 4.45Å; Y439-M443 HydrophobicContact CE1-CG 3.74Å; Y439-M443 HydrophobicContact CE2-CE 4.19Å; Y439-M443 HydrophobicContact CE2-CG 3.62Å; Y439-M443 HydrophobicContact CE2-SD 4.24Å; Y439-M443 HydrophobicContact CG-CG 4.33Å; Y439-M443 VanDerWaalsContact CZ-CG 3.43Å; Y439-M443 WeakPolarHBondContact O-CB 3.46Å; Y439-M443 WeakPolarHBondContact O-CG 3.45Å; Y439-M443 PolarHBondContact O-N 3.45Å; Y439-M443 WeakPolarHBondContact OH-CE 3.45Å; Y439-E559 PolarHBondContact OH-OE1 2.93Å; Y439-F562 HydrophobicContact CE1-CE1 4.15Å; Y439-F562 AromaticContact CE2-CE1 3.81Å; Y439-F562 HydrophobicContact CE2-CE1 3.81Å; Y439-F562 HydrophobicContact CE2-CZ 4.4Å; Y439-F562 AromaticContact CZ-CD1 3.97Å; Y439-F562 AromaticContact CZ-CE1 3.41Å; Y439-F562 VanDerWaalsContact CZ-CE1 3.41Å; Y439-F562 VanDerWaalsContact OH-CD1 3.23Å; Y439-F562 WeakPolarHBondContact OH-CD1 3.3Å; Y439-F562 WeakPolarHBondContact OH-CE1 3.34Å; Y439-I563 HydrophobicContact CE1-CG1 4.33Å; Y439-F567 AromaticContact CD1-CE2 3.84Å; Y439-F567 HydrophobicContact CD1-CE2 3.84Å; Y439-F567 AromaticContact CD1-CZ 3.91Å; Y439-F567 HydrophobicContact CD1-CZ 3.91Å; Y439-F567 HydrophobicContact CE1-CE2 4.18Å; Y439-F567 HydrophobicContact CG-CE2 4.32Å; Y439-F567 AromaticContact CG-CZ 4Å; Y439-F567 HydrophobicContact CG-CZ 4Å; Y439-I619 HydrophobicContact CE1-CD1 4.21Å
440V89.9Confident88Confident6 Ų649.7 Ų49.74%0.03623%0.228CC..Hα-helixtrans-58.1-43.3179166.80000111.3S436 R437 N444 M615 K618 I619S436-V440 VanDerWaalsContact O-CG2 3.27Å; S436-V440 WeakPolarHBondContact O-CG2 3.37Å; S436-V440 PolarHBondContact O-N 3.47Å; R437-V440 PolarHBondContact O-N 2.85Å; R437-V440 VanDerWaalsContact O-N 3.16Å; V440-N444 WeakPolarHBondContact O-CB 3.47Å; V440-N444 PolarHBondContact O-N 3.36Å; V440-M615 HydrophobicContact CG2-CB 4.05Å; V440-M615 HydrophobicContact CG2-CE 3.53Å; V440-M615 HydrophobicContact CG2-CG 3.97Å; V440-K618 HydrophobicContact CG1-CB 3.58Å; V440-K618 HydrophobicContact CG1-CD 4.02Å; V440-K618 HydrophobicContact CG1-CG 4.47Å; V440-I619 HydrophobicContact CB-CG1 4.39Å; V440-I619 HydrophobicContact CG1-CG1 4.08Å; V440-I619 HydrophobicContact CG2-CD1 4.2Å; V440-I619 HydrophobicContact CG2-CG1 4.27Å
441D88.9Confident88.1Confident94 Ų9441.4 Ų41.450%0.50319%0.189SC..Hα-helixtrans-67.1-40.7-179.2-66.5-21.3000112R437 T438 Y439 R445R437-D441 VanDerWaalsContact O-CG 3.24Å; R437-D441 PolarHBondContact O-N 2.82Å; T438-D441 PolarHBondContact O-N 3.27Å; Y439-D441 VanDerWaalsContact C-N 3.31Å; Y439-D441 PolarHBondContact O-N 3.4Å; D441-R445 VanDerWaalsContact O-CG 3.3Å; D441-R445 WeakPolarHBondContact O-CG 3.34Å; D441-R445 PolarHBondContact O-N 3.34Å
442Y87.4Confident88.2Confident65 Ų6542.6 Ų42.626%0.25520%0.195SC..Hα-helixtrans-68.7-45.5175.9-76.3-56.5000112.3F361 V362 F365 T438 Y439 R445 L446F361-Y442 HydrophobicContact CB-CD2 4.1Å; F361-Y442 HydrophobicContact CB-CE2 4.48Å; V362-Y442 HydrophobicContact CG2-CE1 4.41Å; V362-Y442 HydrophobicContact CG2-CE2 3.94Å; V362-Y442 VanDerWaalsContact CG2-OH 3.31Å; V362-Y442 WeakPolarHBondContact CG2-OH 3.12Å; F365-Y442 HydrophobicContact CB-CD1 4.34Å; F365-Y442 HydrophobicContact CD1-CD1 4.37Å; F365-Y442 HydrophobicContact CD2-CD1 4.2Å; F365-Y442 WeakPolarHBondContact CD2-O 3.43Å; F365-Y442 WeakPolarHBondContact CE2-O 3.32Å; F365-Y442 HydrophobicContact CG-CD1 4.04Å; T438-Y442 HydrophobicContact CG2-CD2 3.62Å; T438-Y442 HydrophobicContact CG2-CE2 3.27Å; T438-Y442 WeakPolarHBondContact O-CD2 3.47Å; T438-Y442 PolarHBondContact O-N 3.45Å; Y439-Y442 PolarHBondContact O-N 3.48Å; Y442-R445 PolarHBondContact O-N 2.94Å; Y442-L446 PolarHBondContact O-N 2.89Å
443M86.8Confident87.9Confident11 Ų1146.4 Ų46.45%0.05422%0.216CC..Hα-helixtrans-67.6-39.9179.4-68.5-59.6-99.700111.4L410 Y439 R445 L446 Y447 I619L410-M443 HydrophobicContact CD2-CE 3.29Å; L410-M443 HydrophobicContact CD2-SD 4Å; Y439-M443 HydrophobicContact CD1-CG 4.19Å; Y439-M443 HydrophobicContact CD2-CG 4.07Å; Y439-M443 HydrophobicContact CE1-CB 4.45Å; Y439-M443 HydrophobicContact CE1-CG 3.74Å; Y439-M443 HydrophobicContact CE2-CE 4.19Å; Y439-M443 HydrophobicContact CE2-CG 3.62Å; Y439-M443 HydrophobicContact CE2-SD 4.24Å; Y439-M443 HydrophobicContact CG-CG 4.33Å; Y439-M443 VanDerWaalsContact CZ-CG 3.43Å; Y439-M443 WeakPolarHBondContact O-CB 3.46Å; Y439-M443 WeakPolarHBondContact O-CG 3.45Å; Y439-M443 PolarHBondContact O-N 3.45Å; Y439-M443 WeakPolarHBondContact OH-CE 3.45Å; M443-R445 VanDerWaalsContact C-N 3.33Å; M443-R445 PolarHBondContact O-N 3.06Å; M443-L446 PolarHBondContact O-N 3.39Å; M443-L446 HydrophobicContact SD-CD2 4.22Å; M443-Y447 HydrophobicContact CB-CD2 4.08Å; M443-Y447 HydrophobicContact CB-CE2 4.17Å; M443-Y447 HydrophobicContact CE-CE2 3.73Å; M443-Y447 WeakPolarHBondContact O-CB 3.36Å; M443-Y447 WeakPolarHBondContact O-CD2 3.24Å; M443-Y447 PolarHBondContact O-N 3.3Å; M443-Y447 HydrophobicContact SD-CE2 4.4Å; M443-I619 HydrophobicContact CB-CD1 4.4Å; M443-I619 HydrophobicContact CB-CG1 4.31Å; M443-I619 HydrophobicContact CB-CG2 4.24Å
444N90.9Very high87.9Confident21 Ų2144.1 Ų44.111%0.11221%0.205CC..Hα-helixtrans-54.5-49172.7171.3-109000111.4V440 L446 E448 K618 I619 Q621V440-N444 WeakPolarHBondContact O-CB 3.47Å; V440-N444 PolarHBondContact O-N 3.36Å; N444-L446 VanDerWaalsContact C-N 3.32Å; N444-L446 PolarHBondContact O-N 3.41Å; N444-E448 WeakPolarHBondContact O-CB 3.38Å; N444-E448 PolarHBondContact O-N 2.88Å; N444-K618 PolarHBondContact ND2-O 3.02Å; N444-I619 PolarHBondContact ND2-O 2.93Å; N444-Q621 PolarHBondContact ND2-NE2 3.42Å
445R88Confident87.9Confident136 Ų13642.8 Ų42.851%0.51319%0.192SC..Hα-helixtrans-65.2-34.7179.1-69.4173.769.4-167.12.2113.1F365 D441 Y442 M443 R449F365-R445 HydrophobicContact CE2-CB 4.01Å; F365-R445 HydrophobicContact CZ-CB 4.3Å; D441-R445 VanDerWaalsContact O-CG 3.3Å; D441-R445 WeakPolarHBondContact O-CG 3.34Å; D441-R445 PolarHBondContact O-N 3.34Å; Y442-R445 PolarHBondContact O-N 2.94Å; M443-R445 VanDerWaalsContact C-N 3.33Å; M443-R445 PolarHBondContact O-N 3.06Å; R445-R449 PolarHBondContact O-N 3.24Å
446L85.8Confident87.9Confident9 Ų947 Ų475%0.04721%0.211CC..Hα-helixtrans-68.8-55.7177.1-179.264.9000110.3F365 F368 Y442 M443 N444 E448 R449 E450F365-L446 HydrophobicContact CD2-CB 4.14Å; F365-L446 HydrophobicContact CE2-CB 4.04Å; F368-L446 HydrophobicContact CB-CD1 4.2Å; F368-L446 HydrophobicContact CB-CD2 4.49Å; Y442-L446 PolarHBondContact O-N 2.89Å; M443-L446 PolarHBondContact O-N 3.39Å; M443-L446 HydrophobicContact SD-CD2 4.22Å; N444-L446 VanDerWaalsContact C-N 3.32Å; N444-L446 PolarHBondContact O-N 3.41Å; L446-E448 PolarHBondContact O-N 3.3Å; L446-R449 PolarHBondContact O-N 2.63Å; L446-E450 WeakPolarHBondContact O-CG 3.2Å; L446-E450 PolarHBondContact O-N 2.86Å
447Y88.8Confident87.6Confident0 Ų049.7 Ų49.70%023%0.227CC..Hα-helixtrans-64.3-39.6-179.6-76.1-62.4000112.2H407 M443 R449 E450 I451 L555 E559 I619 F620H407-Y447 AromaticContact CD2-CE1 3.38Å; H407-Y447 WeakPolarHBondContact CD2-CE1 3.31Å; H407-Y447 AromaticContact CD2-CZ 3.65Å; H407-Y447 PolarHBondContact CD2-OH 3.37Å; H407-Y447 AromaticContact NE2-CE1 3.57Å; M443-Y447 HydrophobicContact CB-CD2 4.08Å; M443-Y447 HydrophobicContact CB-CE2 4.17Å; M443-Y447 HydrophobicContact CE-CE2 3.73Å; M443-Y447 WeakPolarHBondContact O-CB 3.36Å; M443-Y447 WeakPolarHBondContact O-CD2 3.24Å; M443-Y447 PolarHBondContact O-N 3.3Å; M443-Y447 HydrophobicContact SD-CE2 4.4Å; Y447-R449 VanDerWaalsContact C-N 3.28Å; Y447-R449 PolarHBondContact O-N 3.11Å; Y447-E450 PolarHBondContact O-N 2.81Å; Y447-I451 WeakPolarHBondContact O-CB 3.18Å; Y447-I451 WeakPolarHBondContact O-CD1 3.49Å; Y447-I451 WeakPolarHBondContact O-CG1 3.49Å; Y447-I451 PolarHBondContact O-N 3.24Å; Y447-L555 HydrophobicContact CD1-CD2 4.16Å; Y447-L555 HydrophobicContact CE1-CD1 3.9Å; Y447-L555 HydrophobicContact CE1-CD2 3.99Å; Y447-L555 HydrophobicContact CE1-CG 4.07Å; Y447-E559 HydrophobicContact CE2-CG 4.19Å; Y447-E559 PolarHBondContact OH-OE2 3.18Å; Y447-I619 HydrophobicContact CD2-CG2 3.31Å; Y447-I619 HydrophobicContact CE2-CG2 3.78Å; Y447-I619 HydrophobicContact CG-CG2 4.2Å; Y447-F620 AromaticContact CD1-CE1 3.67Å; Y447-F620 HydrophobicContact CD1-CE1 3.67Å; Y447-F620 HydrophobicContact CD1-CZ 4.2Å; Y447-F620 HydrophobicContact CD2-CE1 4.13Å; Y447-F620 HydrophobicContact CD2-CZ 4.2Å; Y447-F620 AromaticContact CE1-CE1 3.95Å; Y447-F620 HydrophobicContact CE1-CE1 3.95Å; Y447-F620 HydrophobicContact CE1-CZ 4.05Å; Y447-F620 HydrophobicContact CE2-CE1 4.36Å; Y447-F620 HydrophobicContact CE2-CZ 4.03Å; Y447-F620 HydrophobicContact CG-CD1 4.4Å; Y447-F620 AromaticContact CG-CE1 3.76Å; Y447-F620 HydrophobicContact CG-CE1 3.76Å; Y447-F620 HydrophobicContact CG-CZ 4.27Å; Y447-F620 AromaticContact CZ-CZ 3.95Å
448E88.3Confident87.5Confident58 Ų5842.7 Ų42.727%0.27120%0.201SC..Hα-helixtrans-56.9-43.7175.8-179.8179.5-175.400111.3N444 L446 K452N444-E448 WeakPolarHBondContact O-CB 3.38Å; N444-E448 PolarHBondContact O-N 2.88Å; L446-E448 PolarHBondContact O-N 3.3Å; E448-K452 HydrophobicContact CG-CD 4.03Å; E448-K452 VanDerWaalsContact O-CB 3.26Å; E448-K452 WeakPolarHBondContact O-CB 3.4Å; E448-K452 WeakPolarHBondContact O-CG 3.31Å; E448-K452 PolarHBondContact O-N 3.21Å; E448-K452 IonicContact OE1-NZ 3.51Å; E448-K452 PolarHBondContact OE1-NZ 3Å
449R85.7Confident87.3Confident98 Ų9841.9 Ų41.937%0.3719%0.193SC..Hα-helixtrans-66.8-50.3176.7-173.8-175.1-60.8167.94.4111.5S369 R445 L446 Y447 I451 K452 D453S369-R449 PolarHBondContact OG-NH1 2.9Å; R445-R449 PolarHBondContact O-N 3.24Å; L446-R449 PolarHBondContact O-N 2.63Å; Y447-R449 VanDerWaalsContact C-N 3.28Å; Y447-R449 PolarHBondContact O-N 3.11Å; R449-I451 PolarHBondContact O-N 2.95Å; R449-K452 PolarHBondContact O-N 2.93Å; R449-D453 WeakPolarHBondContact O-CB 3.34Å; R449-D453 PolarHBondContact O-N 3.41Å
450E85.6Confident87Confident9 Ų947.2 Ų47.24%0.04222%0.221CC..Hα-helixtrans-63.3-41.1-176.7-70.4-173.515500112.6H407 L446 Y447 F454H407-E450 IonicContact CE1-OE1 2.73Å; H407-E450 IonicContact CE1-OE2 3.78Å; H407-E450 PolarHBondContact CE1-OE2 3.05Å; H407-E450 IonicContact NE2-OE1 3.34Å; H407-E450 IonicContact NE2-OE2 3.91Å; H407-E450 PolarHBondContact NE2-OE2 3.03Å; L446-E450 WeakPolarHBondContact O-CG 3.2Å; L446-E450 PolarHBondContact O-N 2.86Å; Y447-E450 PolarHBondContact O-N 2.81Å; E450-F454 WeakPolarHBondContact O-CB 3.34Å; E450-F454 PolarHBondContact O-N 3.31Å
451I88.6Confident86.7Confident0 Ų050.2 Ų50.20%023%0.234CC..Hα-helixtrans-66.8-48177.4-68.5165.3000109.4Y447 R449 D453 F454 F455 F620 I623 E626Y447-I451 WeakPolarHBondContact O-CB 3.18Å; Y447-I451 WeakPolarHBondContact O-CD1 3.49Å; Y447-I451 WeakPolarHBondContact O-CG1 3.49Å; Y447-I451 PolarHBondContact O-N 3.24Å; R449-I451 PolarHBondContact O-N 2.95Å; I451-D453 PolarHBondContact O-N 2.76Å; I451-F454 WeakPolarHBondContact O-CB 3.47Å; I451-F454 PolarHBondContact O-N 3.49Å; I451-F455 HydrophobicContact CG2-CD2 3.56Å; I451-F455 HydrophobicContact CG2-CE2 3.68Å; I451-F455 WeakPolarHBondContact O-CB 3.46Å; I451-F455 VanDerWaalsContact O-CD2 3.26Å; I451-F455 WeakPolarHBondContact O-CD2 3.41Å; I451-F455 PolarHBondContact O-N 3.49Å; I451-F620 HydrophobicContact CD1-CD1 3.73Å; I451-F620 HydrophobicContact CD1-CE1 4.17Å; I451-I623 HydrophobicContact CD1-CD1 4.25Å; I451-I623 HydrophobicContact CD1-CG1 3.73Å; I451-I623 HydrophobicContact CG2-CG1 4.43Å; I451-E626 HydrophobicContact CG2-CG 4.44Å
452K88.3Confident86.4Confident80 Ų8046.7 Ų46.735%0.34821%0.214SC..Hα-helixtrans-57.8-47.8177-78.5176.1174174.60112.2E448 R449 F454 F455 E456 E626E448-K452 HydrophobicContact CG-CD 4.03Å; E448-K452 VanDerWaalsContact O-CB 3.26Å; E448-K452 WeakPolarHBondContact O-CB 3.4Å; E448-K452 WeakPolarHBondContact O-CG 3.31Å; E448-K452 PolarHBondContact O-N 3.21Å; E448-K452 IonicContact OE1-NZ 3.51Å; E448-K452 PolarHBondContact OE1-NZ 3Å; R449-K452 PolarHBondContact O-N 2.93Å; K452-F454 VanDerWaalsContact C-N 3.34Å; K452-F454 PolarHBondContact O-N 3.4Å; K452-F455 PolarHBondContact O-N 2.93Å; K452-E456 WeakPolarHBondContact O-CB 3.36Å; K452-E456 WeakPolarHBondContact O-CG 3.48Å; K452-E456 PolarHBondContact O-N 2.86Å; K452-E626 HydrophobicContact CG-CG 4.21Å
453D83.7Confident85.9Confident92 Ų9246 Ų4649%0.49222%0.222SC..Hα-helixtrans-62.2-42178.2-72.2-20.9000111.7R449 I451 E456 V457R449-D453 WeakPolarHBondContact O-CB 3.34Å; R449-D453 PolarHBondContact O-N 3.41Å; I451-D453 PolarHBondContact O-N 2.76Å; D453-E456 PolarHBondContact O-N 3.19Å; D453-V457 WeakPolarHBondContact O-CG2 3.38Å; D453-V457 PolarHBondContact O-N 2.98Å
454F86.9Confident84.9Confident14 Ų1446.9 Ų46.96%0.06123%0.234CC..Hα-helixtrans-61.6-47.6176.3174.5-97.6000112.2L402 L404 E450 I451 K452 V457 A458 V548 E551L402-F454 HydrophobicContact CB-CE2 4.5Å; L402-F454 HydrophobicContact CD1-CD2 4.06Å; L402-F454 HydrophobicContact CD1-CE2 3.97Å; L402-F454 HydrophobicContact CD2-CE1 4.49Å; L402-F454 HydrophobicContact CD2-CE2 4.04Å; L402-F454 HydrophobicContact CD2-CZ 3.84Å; L402-F454 HydrophobicContact CG-CD2 4.06Å; L402-F454 HydrophobicContact CG-CE2 3.45Å; L402-F454 VanDerWaalsContact CG-CE2 3.45Å; L402-F454 HydrophobicContact CG-CZ 3.8Å; L404-F454 HydrophobicContact CD1-CD1 4.38Å; L404-F454 HydrophobicContact CD1-CE1 4.22Å; L404-F454 HydrophobicContact CD1-CE2 4.39Å; L404-F454 HydrophobicContact CD1-CZ 4.24Å; L404-F454 HydrophobicContact CD2-CB 3.72Å; L404-F454 HydrophobicContact CD2-CD1 4.12Å; L404-F454 HydrophobicContact CD2-CD2 3.74Å; L404-F454 HydrophobicContact CD2-CE2 4.3Å; L404-F454 HydrophobicContact CD2-CG 3.61Å; L404-F454 HydrophobicContact CG-CD1 4.29Å; L404-F454 HydrophobicContact CG-CD2 3.73Å; L404-F454 HydrophobicContact CG-CE1 4.35Å; L404-F454 HydrophobicContact CG-CE2 3.77Å; L404-F454 HydrophobicContact CG-CG 3.98Å; L404-F454 HydrophobicContact CG-CZ 4.11Å; E450-F454 WeakPolarHBondContact O-CB 3.34Å; E450-F454 PolarHBondContact O-N 3.31Å; I451-F454 WeakPolarHBondContact O-CB 3.47Å; I451-F454 PolarHBondContact O-N 3.49Å; K452-F454 VanDerWaalsContact C-N 3.34Å; K452-F454 PolarHBondContact O-N 3.4Å; F454-V457 PolarHBondContact O-N 3.03Å; F454-A458 PolarHBondContact O-N 3.03Å; F454-V548 HydrophobicContact CE1-CB 4.28Å; F454-V548 HydrophobicContact CE1-CG1 4.11Å; F454-V548 HydrophobicContact CE1-CG2 4Å; F454-V548 HydrophobicContact CZ-CG2 4.28Å; F454-E551 HydrophobicContact CE2-CB 4.41Å; F454-E551 HydrophobicContact CZ-CB 3.98Å; F454-E551 HydrophobicContact CZ-CG 4.39Å
455F88Confident82.7Confident0 Ų053.2 Ų53.20%027%0.274CS..Hα-helixtrans-66.4-36.7178-89-91.5000112.1I451 K452 A458 K459 V548 L552 E626 L627 L630I451-F455 HydrophobicContact CG2-CD2 3.56Å; I451-F455 HydrophobicContact CG2-CE2 3.68Å; I451-F455 WeakPolarHBondContact O-CB 3.46Å; I451-F455 VanDerWaalsContact O-CD2 3.26Å; I451-F455 WeakPolarHBondContact O-CD2 3.41Å; I451-F455 PolarHBondContact O-N 3.49Å; K452-F455 PolarHBondContact O-N 2.93Å; F455-A458 WeakPolarHBondContact O-CB 3.03Å; F455-A458 PolarHBondContact O-N 2.88Å; F455-K459 WeakPolarHBondContact O-CB 3.47Å; F455-K459 VanDerWaalsContact O-CG 3.23Å; F455-K459 WeakPolarHBondContact O-CG 3.39Å; F455-K459 PolarHBondContact O-N 3.44Å; F455-V548 HydrophobicContact CE1-CG1 3.9Å; F455-V548 HydrophobicContact CZ-CG1 3.85Å; F455-L552 HydrophobicContact CE2-CD1 4.06Å; F455-L552 HydrophobicContact CE2-CD2 4.17Å; F455-L552 HydrophobicContact CZ-CD1 3.76Å; F455-E626 HydrophobicContact CB-CB 4.14Å; F455-E626 HydrophobicContact CB-CG 4.49Å; F455-E626 HydrophobicContact CD1-CB 3.85Å; F455-E626 HydrophobicContact CD2-CB 3.82Å; F455-E626 HydrophobicContact CE1-CB 4.17Å; F455-E626 HydrophobicContact CE2-CB 4.13Å; F455-E626 HydrophobicContact CG-CB 3.66Å; F455-E626 HydrophobicContact CG-CG 4.44Å; F455-E626 HydrophobicContact CZ-CB 4.29Å; F455-L627 HydrophobicContact CE1-CB 4.48Å; F455-L627 HydrophobicContact CE1-CD2 3.74Å; F455-L627 HydrophobicContact CE1-CG 4Å; F455-L627 HydrophobicContact CZ-CD2 3.63Å; F455-L627 HydrophobicContact CZ-CG 3.69Å; F455-L630 HydrophobicContact CD1-CB 4.13Å; F455-L630 HydrophobicContact CD1-CD1 4.35Å; F455-L630 HydrophobicContact CD1-CD2 3.97Å; F455-L630 HydrophobicContact CD1-CG 4.4Å; F455-L630 HydrophobicContact CE1-CB 4.18Å; F455-L630 HydrophobicContact CE1-CD2 3.77Å
456E87Confident80.2Confident89 Ų8951.2 Ų51.242%0.41628%0.281SS..Hα-helixtrans-64.3-42.1174.1-76.1-55.2135.900112.2K452 D453 A458 K459 I460K452-E456 WeakPolarHBondContact O-CB 3.36Å; K452-E456 WeakPolarHBondContact O-CG 3.48Å; K452-E456 PolarHBondContact O-N 2.86Å; D453-E456 PolarHBondContact O-N 3.19Å; E456-A458 VanDerWaalsContact C-N 3.31Å; E456-A458 PolarHBondContact O-N 3.47Å; E456-K459 PolarHBondContact O-N 2.65Å; E456-K459 WeakPolarHBondContact OE1-CD 3.38Å; E456-K459 IonicContact OE1-NZ 3.53Å; E456-K459 PolarHBondContact OE1-NZ 2.78Å; E456-I460 VanDerWaalsContact O-CG1 3.28Å; E456-I460 WeakPolarHBondContact O-CG1 3.41Å; E456-I460 PolarHBondContact O-N 2.99Å
457V84.4Confident77.8Confident71 Ų7160.7 Ų60.743%0.4332%0.322SS..Hα-helixtrans-62.1-41.1173.3174.60000110.9L402 D453 F454 I460 K461L402-V457 HydrophobicContact CD1-CB 4.15Å; L402-V457 HydrophobicContact CD1-CG1 3.78Å; D453-V457 WeakPolarHBondContact O-CG2 3.38Å; D453-V457 PolarHBondContact O-N 2.98Å; F454-V457 PolarHBondContact O-N 3.03Å; V457-I460 PolarHBondContact O-N 3.4Å; V457-K461 HydrophobicContact CG1-CD 4.45Å; V457-K461 WeakPolarHBondContact O-CG 3.35Å; V457-K461 PolarHBondContact O-N 2.9Å
458A85.1Confident75.1Confident0 Ų069.5 Ų69.50%036%0.363CS..Hα-helixtrans-62.2-46.1175.500000111.5L402 F454 F455 E456 I460 K461 M462 I544 V548 L630L402-A458 HydrophobicContact CD1-CB 4.24Å; L402-A458 HydrophobicContact CD2-CB 3.98Å; F454-A458 PolarHBondContact O-N 3.03Å; F455-A458 WeakPolarHBondContact O-CB 3.03Å; F455-A458 PolarHBondContact O-N 2.88Å; E456-A458 VanDerWaalsContact C-N 3.31Å; E456-A458 PolarHBondContact O-N 3.47Å; A458-I460 VanDerWaalsContact C-N 3.34Å; A458-I460 PolarHBondContact O-N 3.16Å; A458-K461 PolarHBondContact O-N 3.41Å; A458-M462 HydrophobicContact CB-CE 3.61Å; A458-M462 WeakPolarHBondContact O-CB 3.47Å; A458-M462 WeakPolarHBondContact O-CE 3.2Å; A458-M462 PolarHBondContact O-N 3.29Å; A458-I544 HydrophobicContact CB-CG2 4.38Å; A458-V548 HydrophobicContact CB-CG2 3.76Å; A458-L630 HydrophobicContact CB-CD1 4.48Å
459K85.8Confident72.2Confident22 Ų2271.2 Ų71.210%0.09639%0.387CS..Hα-helixtrans-57.7-44.8176.2-72.2171.7-159.2168.60111.4F455 E456 M462 A463 E626 S629 L630 L633F455-K459 WeakPolarHBondContact O-CB 3.47Å; F455-K459 VanDerWaalsContact O-CG 3.23Å; F455-K459 WeakPolarHBondContact O-CG 3.39Å; F455-K459 PolarHBondContact O-N 3.44Å; E456-K459 PolarHBondContact O-N 2.65Å; E456-K459 WeakPolarHBondContact OE1-CD 3.38Å; E456-K459 IonicContact OE1-NZ 3.53Å; E456-K459 PolarHBondContact OE1-NZ 2.78Å; K459-M462 PolarHBondContact O-N 3.4Å; K459-A463 WeakPolarHBondContact O-CB 3.41Å; K459-A463 PolarHBondContact O-N 2.98Å; K459-E626 IonicContact NZ-OE2 3.62Å; K459-E626 PolarHBondContact NZ-OE2 3.09Å; K459-S629 PolarHBondContact NZ-OG 2.94Å; K459-L630 HydrophobicContact CB-CD1 4.47Å; K459-L630 HydrophobicContact CG-CD1 3.49Å; K459-L630 VanDerWaalsContact CG-CD1 3.49Å; K459-L633 HydrophobicContact CB-CD2 3.67Å; K459-L633 HydrophobicContact CG-CD2 3.75Å
460I84Confident69.6Low117 Ų11776.7 Ų76.760%0.641%0.413SS*.Hα-helixtrans-62.8-44.3177.2-67.2164.4000111E456 V457 A458 M462 G464E456-I460 VanDerWaalsContact O-CG1 3.28Å; E456-I460 WeakPolarHBondContact O-CG1 3.41Å; E456-I460 PolarHBondContact O-N 2.99Å; V457-I460 PolarHBondContact O-N 3.4Å; A458-I460 VanDerWaalsContact C-N 3.34Å; A458-I460 PolarHBondContact O-N 3.16Å; I460-M462 VanDerWaalsContact C-N 3.34Å; I460-M462 PolarHBondContact O-N 3.41Å; I460-G464 PolarHBondContact O-N 2.87Å
461K82.3Confident67Low69 Ų6979.4 Ų79.430%0.344%0.443SS..Hα-helixtrans-64.9-36.9177.6-75.1-176.4175.1-176.60112.6A400 V457 A458 K540 I544A400-K461 PolarHBondContact O-NZ 3.11Å; V457-K461 HydrophobicContact CG1-CD 4.45Å; V457-K461 WeakPolarHBondContact O-CG 3.35Å; V457-K461 PolarHBondContact O-N 2.9Å; A458-K461 PolarHBondContact O-N 3.41Å; K461-K540 WeakPolarHBondContact O-CE 3.48Å; K461-I544 HydrophobicContact CB-CD1 3.86Å
462M82.4Confident64.4Low19 Ų1989 Ų899%0.09449%0.485CS..Hα-helixtrans-72.8-39.4177.5-86.3175.5-86.300113.3A458 K459 I460 G464 F541 I544 L630A458-M462 HydrophobicContact CB-CE 3.61Å; A458-M462 WeakPolarHBondContact O-CB 3.47Å; A458-M462 WeakPolarHBondContact O-CE 3.2Å; A458-M462 PolarHBondContact O-N 3.29Å; K459-M462 PolarHBondContact O-N 3.4Å; I460-M462 VanDerWaalsContact C-N 3.34Å; I460-M462 PolarHBondContact O-N 3.41Å; M462-G464 PolarHBondContact O-N 3.38Å; M462-F541 HydrophobicContact CB-CD2 4.44Å; M462-F541 HydrophobicContact CG-CD2 3.8Å; M462-F541 HydrophobicContact CG-CE2 4.23Å; M462-F541 HydrophobicContact SD-CD2 3.66Å; M462-F541 HydrophobicContact SD-CE2 3.47Å; M462-F541 WeakPolarHBondContact SD-CE2 3.2Å; M462-F541 HydrophobicContact SD-CZ 4.38Å; M462-I544 HydrophobicContact CE-CG2 3.63Å; M462-I544 HydrophobicContact CG-CB 4.05Å; M462-I544 HydrophobicContact CG-CD1 3.91Å; M462-I544 HydrophobicContact CG-CG2 3.85Å; M462-I544 HydrophobicContact SD-CG2 4.18Å; M462-L630 HydrophobicContact CE-CD1 3.11Å; M462-L630 HydrophobicContact CE-CD2 3.78Å; M462-L630 HydrophobicContact CE-CG 3.68Å; M462-L630 HydrophobicContact SD-CD1 4.02Å; M462-L630 HydrophobicContact SD-CD2 4.5Å; M462-L630 HydrophobicContact SD-CG 4.19Å
463A77.8Confident61.3Low51 Ų5195.1 Ų95.142%0.42151%0.512SS..Hα-helixtrans-71.1-16.4178.200000113.3K459K459-A463 WeakPolarHBondContact O-CB 3.41Å; K459-A463 PolarHBondContact O-N 2.98Å
464G65.4Low58.7Low30 Ų3094.8 Ų94.831%0.30952%0.522SS..  trans66166.3-174.700000112.7I460 M462 S466I460-G464 PolarHBondContact O-N 2.87Å; M462-G464 PolarHBondContact O-N 3.38Å; G464-S466 PolarHBondContact O-N 3.04Å
465T44.5Very low56Low153 Ų153100.5 Ų100.594%0.93956%0.558SS**SBendtrans-7547.6170.750.50000111.1K467T465-K467 VanDerWaalsContact C-N 3.32Å; T465-K467 PolarHBondContact O-N 3.41Å
466S35.8Very low53Low94 Ų94108.6 Ų108.666%0.65760%0.601SS**  trans-82.679.7178.1-172.30000110.2G464 E468G464-S466 PolarHBondContact O-N 3.04Å; S466-E468 VanDerWaalsContact C-N 3.26Å; S466-E468 PolarHBondContact O-N 3.07Å
467K36.1Very low50.1Low209 Ų209110 Ų11091%0.90962%0.618SS**  trans-89.168.9152.4-89.2-169.6177.21780108.4T465T465-K467 VanDerWaalsContact C-N 3.32Å; T465-K467 PolarHBondContact O-N 3.41Å
468E31.3Very low47.4Very low185 Ų185116.3 Ų116.386%0.86463%0.633SS**  trans-151.847.5159.6-119.3176-159.500112.3S466S466-E468 VanDerWaalsContact C-N 3.26Å; S466-E468 PolarHBondContact O-N 3.07Å
469A27.7Very low44.6Very low93 Ų93126 Ų12677%0.76968%0.675SS**  trans-106.193.2158.300000108.7G471A469-G471 PolarHBondContact O-N 3.1Å
470K30.8Very low41.7Very low214 Ų214131.2 Ų131.293%0.9370%0.7SS**  trans-60.1109168.5-91.5179.2176.5170.10109.6
471G30.9Very low39Very low65 Ų65130.8 Ų130.867%0.6771%0.708SS**SBendtrans68.393.1138.400000117.6A469A469-G471 PolarHBondContact O-N 3.1Å
472K33.3Very low36.4Very low202 Ų202132.1 Ų132.188%0.87873%0.732SS**  163.289.6127.6-90.1169.3-176.8-179.50109.5
473F24.7Very low33.8Very low209 Ų209139.3 Ų139.392%0.91777%0.77SS**  trans-139.6101.8148.6-108.5-85.6000107.4
474A28.7Very low31.4Very low85 Ų85146.1 Ų146.170%0.70279%0.79SS**  trans-74.9123.1166.900000108.3
475T29.3Very low29.6Very low133 Ų133154 Ų15482%0.81682%0.818SS**  trans25.9110.5142.148.10000118.3
476L25Very low28.5Very low171 Ų171155.2 Ų155.290%0.89581%0.814SS**  trans-65.4151.4153.7-79.6166.4000111
477P27.4Very low28.1Very low119 Ų119157 Ų15777%0.77382%0.821SS**  trans-83.4127.4-168.533.5-33.3000111.7
478R26.6Very low27.6Very low202 Ų202155.5 Ų155.576%0.76282%0.817SS**  trans-87.5114.5166.7-172.8174.7173132.30.8108.7E480R478-E480 IonicContact CZ-OE2 3.94Å; R478-E480 IonicContact NE-OE2 3.97Å; R478-E480 PolarHBondContact NE-OE2 2.78Å; R478-E480 IonicContact NH2-OE1 4Å; R478-E480 IonicContact NH2-OE2 3.75Å; R478-E480 PolarHBondContact NH2-OE2 2.8Å; R478-E480 PolarHBondContact O-N 3.35Å
479K26.8Very low27.3Very low203 Ų203151.9 Ų151.988%0.88381%0.812SS**  trans-63.8120.5161.8-98179171178.30108.3
480E25.4Very low27.2Very low133 Ų133154.2 Ų154.262%0.62181%0.811SS**  trans-152.9119.2151.4-113157.3176.700109.2R478R478-E480 IonicContact CZ-OE2 3.94Å; R478-E480 IonicContact NE-OE2 3.97Å; R478-E480 PolarHBondContact NE-OE2 2.78Å; R478-E480 IonicContact NH2-OE1 4Å; R478-E480 IonicContact NH2-OE2 3.75Å; R478-E480 PolarHBondContact NH2-OE2 2.8Å; R478-E480 PolarHBondContact O-N 3.35Å
481S27.7Very low27.1Very low108 Ų108152.7 Ų152.776%0.75581%0.807SS**  trans39.5117.4141.748.20000119.9
482A27.7Very low26.8Very low97 Ų97152.8 Ų152.880%0.80281%0.808SS**  trans-52129.3162.300000113
483L26.3Very low26.6Very low170 Ų170148.9 Ų148.989%0.8981%0.806SS**  trans-166.3136.3139-104.6140.6000110.7
484K27.2Very low26.7Very low193 Ų193145.1 Ų145.184%0.83981%0.806SS**  trans-44.5139.7-178.7-60.9163.8173.9-179.70114.4
485Q27.7Very low26.7Very low195 Ų195145 Ų14591%0.91181%0.813SS**  -177.6135.4112.7-117.1169.4-11.100112.1
486E21.7Very low26.7Very low180 Ų180148.6 Ų148.684%0.84182%0.817SS**  trans-65.9148.7167.8-61.3170.6144.500111
487T28.5Very low26.8Very low132 Ų132147.5 Ų147.581%0.8181%0.811SS**  179.9110.7128.824.10000111.8
488E25.1Very low26.8Very low176 Ų176148.3 Ų148.382%0.82281%0.814SS**  44.2135.4129.8-61.6-170.6148.500123.9
489S24.9Very low26.8Very low109 Ų109142.5 Ų142.576%0.76282%0.817SS**  trans95.3142.6140.5840000118
490L26Very low26.9Very low143 Ų143138.1 Ų138.175%0.74981%0.812SS**  cis-172.5151-12.2-106.5167.3000105.8
491H29Very low27.1Very low181 Ų181138.3 Ų138.384%0.83882%0.822SS**  trans67.8140.3159.9-74.455.3000118.4
492G24.7Very low27.3Very low67 Ų67137.7 Ų137.769%0.69182%0.818SS**  cis159.6147.54.100000110
493S27.7Very low27.4Very low121 Ų121138.2 Ų138.285%0.84682%0.816SS**  trans80.9100.1159-69.90000122.4
494S27Very low27.7Very low130 Ų130138.4 Ų138.491%0.90982%0.817SS**  24.7133.8116.2-71.40000121.9
495G28.8Very low27.9Very low83 Ų83136.7 Ų136.786%0.85682%0.817SS**  trans-177.4105.1154.500000113.3
496K28.5Very low28Very low207 Ų207137.6 Ų137.690%0.982%0.818SS**  trans-84.7168.2171.4-122.4175.8-179.9176.90110.3
497L27.2Very low28.2Very low149 Ų149136 Ų13678%0.7882%0.815SS**  trans121.4105.4156.2-64.2172.8000113.8
498T28.9Very low28Very low135 Ų135135.5 Ų135.583%0.82881%0.811SS**  67.1128.189.565.60000116
499G26.9Very low28.1Very low80 Ų80133.5 Ų133.583%0.82581%0.811SS**  trans172.2112.2163.300000113.5
500S28.6Very low28.3Very low112 Ų112137.7 Ų137.778%0.78382%0.818SS**  trans-86.8-174.1-177.4-59.90000113.7
501T29Very low28.3Very low136 Ų136134.8 Ų134.883%0.83482%0.823SS**  trans92.7156.2158.9800000116.3
502S30.9Very low28.1Very low95 Ų95131.3 Ų131.366%0.66482%0.819SS**  cis-170.5146.7-48.1510000106.6
503S30.8Very low28.2Very low108 Ų108135.8 Ų135.876%0.75583%0.827SS**  trans60.5132.6146.3-50.70000121.2
504L32.6Very low28.1Very low174 Ų174135.9 Ų135.991%0.91183%0.828SS**  179.8131.5112.3-92.3171.2000112.8
505N32Very low28.4Very low158 Ų158141.2 Ų141.285%0.84583%0.828SS**  trans-74151.3163.3-79.1-19.6000111
506K28.7Very low28.3Very low213 Ų213149 Ų14993%0.92683%0.832SS**  trans-155.6143.8144.1-154167.8-179.4179.30113.4
507L25.9Very low28.6Very low147 Ų147144.7 Ų144.777%0.7783%0.828SS**  trans-84.2160.5-167-81148.7000115.7
508T24.6Very low28.7Very low121 Ų121146.4 Ų146.474%0.74283%0.832SS**  trans71.3141.1140.556.70000118.2
509V28Very low28.7Very low134 Ų134145.4 Ų145.481%0.81283%0.83SS**  -168.414563.3161.70000110.9
510Q29.2Very low28.7Very low197 Ų197147.2 Ų147.292%0.92183%0.83SS**  trans-70.5147.3165.6-76.9171.8-2900113.1
511G24.8Very low29.2Very low83 Ų83147.2 Ų147.286%0.85683%0.831SS**  trans-163.1124.416700000113.4
512S25.9Very low29.6Very low108 Ų108148.3 Ų148.376%0.75583%0.831SS**  trans-102.5156.2-168.438.50000115.1
513N25.7Very low29.9Very low160 Ų160152.4 Ų152.486%0.85684%0.844SS**  trans69.1118.1156.1-67.5-10.3000121.6
514S26.2Very low29.8Very low123 Ų123154 Ų15486%0.8684%0.844SS**  167.6152.1105.6-165.70000113.5
515R33.6Very low30Very low242 Ų242153.9 Ų153.991%0.91384%0.841SS**  trans-67.9139.3-169.9-63.8165.7170167.3-4.3114.7
516R26.4Very low30.1Very low247 Ų247149.6 Ų149.693%0.93283%0.834SS**  trans-163.7120.5136.4-140.8168.7175.8162.3-2.9112
517S34.6Very low30.4Very low117 Ų117146.5 Ų146.582%0.81883%0.827SS**  trans-71.1133.9170-51.50000110.7
518Q30.1Very low30.7Very low184 Ų184144.6 Ų144.686%0.8682%0.816SS**  177.8126.5122.8-94.1-170.3-15.600111.3
519S28.6Very low31.2Very low114 Ų114141.9 Ų141.980%0.79780%0.802SS**  trans-0122.4159.351.70000120
520S25.9Very low32.2Very low118 Ų118138.9 Ų138.983%0.82579%0.791SS**  trans-162.2115.7132.861.70000110.7
521S39.2Very low33.4Very low113 Ų113132.1 Ų132.179%0.7977%0.766SS**  trans-57.6156.1168.7-46.40000112.2
522L37.9Very low34.6Very low159 Ų159132.4 Ų132.483%0.83275%0.747SS**SBendtrans99.121.9155.7-59.9174.7000121.1
523L36.4Very low36.2Very low181 Ų181131.8 Ų131.895%0.94874%0.735SS**  trans-147.443.7168.3-59.7173.9000114.8
524D28.8Very low38.3Very low140 Ų140128 Ų12875%0.74972%0.715SS**  trans-118.766.3171.1-165.225.4000111
525M37.6Very low40.4Very low173 Ų173125.2 Ų125.285%0.85269%0.693SS**  trans-118.438.5172.9-83.6-73-170.100109.9
526G34.4Very low42.3Very low67 Ų67116.1 Ų116.169%0.69167%0.669SS**SBendtrans-111.9-7.7-175.800000115.2
527N34.8Very low44.7Very low149 Ų149109 Ų10980%0.79765%0.65SS**  trans-144.137.4-166.8-137.267.6000114.2
528M31.1Very low46.9Very low106 Ų106104.9 Ų104.952%0.52262%0.616SS.*  trans-75.9127.5168-65.9-63.3169.700109.1L533M528-L533 HydrophobicContact CB-CD1 4.19Å; M528-L533 HydrophobicContact CB-CG 4.27Å
529S36.1Very low49.4Very low64 Ų6498.9 Ų98.945%0.44859%0.592SS.*  trans-62.2149.8173.3-174.50000109.6S531 D532 L533S529-S531 WeakPolarHBondContact CB-OG 3.37Å; S529-S531 PolarHBondContact O-N 3.46Å; S529-S531 VanDerWaalsContact O-N 3.08Å; S529-S531 PolarHBondContact OG-OG 3.27Å; S529-D532 PolarHBondContact O-N 3.06Å; S529-L533 PolarHBondContact O-N 3.32Å
530A48.4Very low52.1Low72 Ų7297.8 Ų97.860%0.59557%0.573SS**Hα-helixtrans-54.7-29.9176.400000112.3D534A530-D534 PolarHBondContact O-N 3.41Å
531S53.9Low55Low55 Ų5592.4 Ų92.439%0.38554%0.535SS..Hα-helixtrans-67.2-36.5174.551.60000113.9S529 D534 V535S529-S531 WeakPolarHBondContact CB-OG 3.37Å; S529-S531 PolarHBondContact O-N 3.46Å; S529-S531 VanDerWaalsContact O-N 3.08Å; S529-S531 PolarHBondContact OG-OG 3.27Å; S531-D534 PolarHBondContact O-N 3.23Å; S531-V535 WeakPolarHBondContact O-CG2 3.35Å; S531-V535 PolarHBondContact O-N 2.84Å; S531-V535 VanDerWaalsContact O-N 3.13Å
532D50.9Low57.3Low88 Ų8888.5 Ų88.547%0.47151%0.505SS..Hα-helixtrans-72.9-36.1-179.9-68-41.6000112.2S529 V535 A536S529-D532 PolarHBondContact O-N 3.06Å; D532-V535 PolarHBondContact O-N 2.83Å; D532-A536 PolarHBondContact O-N 3.01Å; D532-A536 VanDerWaalsContact O-N 3.1Å
533L59.2Low59.7Low96 Ų9688 Ų8850%0.50350%0.496SS..Hα-helixtrans-63.3-44.9173-80.5147.7000111.1M528 S529 V535 A536 D537M528-L533 HydrophobicContact CB-CD1 4.19Å; M528-L533 HydrophobicContact CB-CG 4.27Å; S529-L533 PolarHBondContact O-N 3.32Å; L533-V535 VanDerWaalsContact C-N 3.32Å; L533-V535 PolarHBondContact O-N 3.23Å; L533-A536 PolarHBondContact O-N 2.96Å; L533-D537 PolarHBondContact O-N 3.36Å
534D69.3Low62.2Low80 Ų8080 Ų8043%0.42845%0.454SS..Hα-helixtrans-62.5-37.4177.1-73.7-11.5000112.2A530 S531 R538A530-D534 PolarHBondContact O-N 3.41Å; S531-D534 PolarHBondContact O-N 3.23Å; D534-R538 WeakPolarHBondContact O-CB 3.42Å; D534-R538 WeakPolarHBondContact O-CD 3.26Å; D534-R538 WeakPolarHBondContact O-CG 3.36Å; D534-R538 PolarHBondContact O-N 3.34Å; D534-R538 IonicContact OD2-NH2 3.24Å
535V72.1Confident65.1Low64 Ų6473.3 Ų73.339%0.38842%0.419SS..Hα-helixtrans-66.4-43175.7173.40000111.1S531 D532 L533 R538 T539S531-V535 WeakPolarHBondContact O-CG2 3.35Å; S531-V535 PolarHBondContact O-N 2.84Å; S531-V535 VanDerWaalsContact O-N 3.13Å; D532-V535 PolarHBondContact O-N 2.83Å; L533-V535 VanDerWaalsContact C-N 3.32Å; L533-V535 PolarHBondContact O-N 3.23Å; V535-R538 PolarHBondContact O-N 2.79Å; V535-T539 WeakPolarHBondContact O-CG2 3.45Å; V535-T539 PolarHBondContact O-N 3.33Å
536A72.9Confident67.6Low52 Ų5267 Ų6743%0.4339%0.387SS..Hα-helixtrans-61.7-44.7177.100000111.9D532 L533 R538 T539 K540D532-A536 PolarHBondContact O-N 3.01Å; D532-A536 VanDerWaalsContact O-N 3.1Å; L533-A536 PolarHBondContact O-N 2.96Å; A536-R538 PolarHBondContact O-N 3.2Å; A536-T539 PolarHBondContact O-N 3Å; A536-T539 PolarHBondContact O-OG1 3.03Å; A536-K540 PolarHBondContact O-N 3.5Å
537D77.4Confident70.2Confident97 Ų9767 Ų6752%0.51937%0.369SS..Hα-helixtrans-65.2-38.1177.7-78.5-24.6000112.5L533 K540 F541L533-D537 PolarHBondContact O-N 3.36Å; D537-K540 WeakPolarHBondContact O-CB 3.46Å; D537-K540 PolarHBondContact O-N 3.09Å; D537-F541 PolarHBondContact O-N 3.48Å
538R80.8Confident72.8Confident30 Ų3059.9 Ų59.911%0.11333%0.331CS..Hα-helixtrans-63.6-42.8173.6-73.4166.9-173.8138.510.4112.7D534 V535 A536 K540 F541 D542 D638 Y644D534-R538 WeakPolarHBondContact O-CB 3.42Å; D534-R538 WeakPolarHBondContact O-CD 3.26Å; D534-R538 WeakPolarHBondContact O-CG 3.36Å; D534-R538 PolarHBondContact O-N 3.34Å; D534-R538 IonicContact OD2-NH2 3.24Å; V535-R538 PolarHBondContact O-N 2.79Å; A536-R538 PolarHBondContact O-N 3.2Å; R538-K540 VanDerWaalsContact C-N 3.29Å; R538-K540 PolarHBondContact O-N 3.08Å; R538-F541 WeakPolarHBondContact O-CB 3.45Å; R538-F541 PolarHBondContact O-N 3.4Å; R538-D542 PolarHBondContact O-N 3.42Å; R538-D638 IonicContact CZ-OD2 2.68Å; R538-D638 VanDerWaalsContact CZ-OD2 3.23Å; R538-D638 IonicContact NE-OD2 3.19Å; R538-D638 PolarHBondContact NE-OD2 2.95Å; R538-D638 IonicContact NH2-OD2 3.77Å; R538-D638 PolarHBondContact NH2-OD2 3.5Å; R538-Y644 HydrophobicContact CB-CE2 3.96Å; R538-Y644 HydrophobicContact CG-CE2 4.46Å
539T81.7Confident75.7Confident58 Ų5855 Ų5536%0.35631%0.307SS..Hα-helixtrans-67.6-31.4176.963.60000112.3V535 A536 K543V535-T539 WeakPolarHBondContact O-CG2 3.45Å; V535-T539 PolarHBondContact O-N 3.33Å; A536-T539 PolarHBondContact O-N 3Å; A536-T539 PolarHBondContact O-OG1 3.03Å; T539-K543 WeakPolarHBondContact O-CG 3.38Å; T539-K543 PolarHBondContact O-N 3Å; T539-K543 VanDerWaalsContact O-N 3.13Å
540K85.1Confident78.2Confident91 Ų9154.5 Ų54.540%0.39630%0.304SS..Hα-helixtrans-66.3-44.9172.5-179.7-175.6173.7-170.50110.9K461 A536 D537 R538 K543 I544K461-K540 WeakPolarHBondContact O-CE 3.48Å; A536-K540 PolarHBondContact O-N 3.5Å; D537-K540 WeakPolarHBondContact O-CB 3.46Å; D537-K540 PolarHBondContact O-N 3.09Å; R538-K540 VanDerWaalsContact C-N 3.29Å; R538-K540 PolarHBondContact O-N 3.08Å; K540-K543 PolarHBondContact O-N 3.28Å; K540-I544 HydrophobicContact CG-CD1 3.99Å; K540-I544 VanDerWaalsContact O-CG1 3.3Å; K540-I544 WeakPolarHBondContact O-CG1 3.23Å; K540-I544 PolarHBondContact O-N 2.9Å; K540-I544 VanDerWaalsContact O-N 3.13Å
541F87.9Confident80.1Confident5 Ų553.7 Ų53.72%0.02229%0.287CS..Hα-helixtrans-57.4-49.1173.6175.3-86.8000111.5M462 D537 R538 K543 I544 F545 H641 M645M462-F541 HydrophobicContact CB-CD2 4.44Å; M462-F541 HydrophobicContact CG-CD2 3.8Å; M462-F541 HydrophobicContact CG-CE2 4.23Å; M462-F541 HydrophobicContact SD-CD2 3.66Å; M462-F541 HydrophobicContact SD-CE2 3.47Å; M462-F541 WeakPolarHBondContact SD-CE2 3.2Å; M462-F541 HydrophobicContact SD-CZ 4.38Å; D537-F541 PolarHBondContact O-N 3.48Å; R538-F541 WeakPolarHBondContact O-CB 3.45Å; R538-F541 PolarHBondContact O-N 3.4Å; F541-K543 VanDerWaalsContact C-N 3.33Å; F541-K543 PolarHBondContact O-N 3.27Å; F541-I544 PolarHBondContact O-N 3.37Å; F541-I544 VanDerWaalsContact O-N 3.14Å; F541-F545 HydrophobicContact CE1-CB 4.15Å; F541-F545 HydrophobicContact CE1-CG 4.37Å; F541-F545 HydrophobicContact CZ-CB 4.41Å; F541-F545 HydrophobicContact CZ-CD2 4.33Å; F541-F545 HydrophobicContact CZ-CG 4.47Å; F541-F545 WeakPolarHBondContact O-CB 3.47Å; F541-F545 PolarHBondContact O-N 3.25Å; F541-H641 WeakPolarHBondContact CB-NE2 3.3Å; F541-H641 HydrophobicContact CD1-CB 3.97Å; F541-H641 AromaticContact CD1-CD2 3.29Å; F541-H641 WeakPolarHBondContact CD1-CD2 3.06Å; F541-H641 AromaticContact CD1-CG 3.76Å; F541-H641 AromaticContact CD2-CD2 3.94Å; F541-H641 HydrophobicContact CE1-CB 3.72Å; F541-H641 AromaticContact CE1-CD2 3.98Å; F541-H641 AromaticContact CE1-CG 3.99Å; F541-H641 HydrophobicContact CE2-CB 4.46Å; F541-H641 HydrophobicContact CG-CB 4.47Å; F541-H641 AromaticContact CG-CD2 3.28Å; F541-H641 WeakPolarHBondContact CG-CD2 3.46Å; F541-H641 AromaticContact CG-CG 3.84Å; F541-H641 AromaticContact CG-NE2 3.6Å; F541-H641 HydrophobicContact CZ-CB 3.98Å; F541-M645 HydrophobicContact CE1-CG 3.72Å; F541-M645 HydrophobicContact CE1-SD 4.31Å; F541-M645 HydrophobicContact CZ-CE 4.42Å; F541-M645 HydrophobicContact CZ-CG 3.82Å; F541-M645 HydrophobicContact CZ-SD 3.81Å
542D87.1Confident81.7Confident31 Ų3151.2 Ų51.217%0.16627%0.27CS..Hα-helixtrans-55.8-46.1179.8-17756.5000112R538 I544 F545 E546 Y644 K648R538-D542 PolarHBondContact O-N 3.42Å; D542-I544 PolarHBondContact O-N 3.3Å; D542-F545 PolarHBondContact O-N 2.9Å; D542-E546 WeakPolarHBondContact O-CB 3.45Å; D542-E546 PolarHBondContact O-N 2.92Å; D542-Y644 HydrophobicContact CB-CD1 3.71Å; D542-Y644 HydrophobicContact CB-CE1 4.12Å; D542-Y644 HydrophobicContact CB-CG 4.26Å; D542-Y644 WeakPolarHBondContact OD1-CD1 3.47Å; D542-K648 WeakPolarHBondContact OD1-CE 3.31Å
543K88.1Confident83.5Confident148 Ų14848.9 Ų48.964%0.64326%0.256SS*.Hα-helixtrans-61.7-43.2176.9-72.9175.5-177.1176.80112.9T539 K540 F541 Q547T539-K543 WeakPolarHBondContact O-CG 3.38Å; T539-K543 PolarHBondContact O-N 3Å; T539-K543 VanDerWaalsContact O-N 3.13Å; K540-K543 PolarHBondContact O-N 3.28Å; F541-K543 VanDerWaalsContact C-N 3.33Å; F541-K543 PolarHBondContact O-N 3.27Å; K543-Q547 WeakPolarHBondContact O-CB 3.07Å; K543-Q547 PolarHBondContact O-N 2.85Å
544I87.8Confident84.8Confident14 Ų1447.7 Ų47.77%0.07225%0.254CS..Hα-helixtrans-68.8-42.3-179.7-62.1163000110.1L402 A458 K461 M462 K540 F541 D542 Q547 V548L402-I544 HydrophobicContact CD2-CG2 4.34Å; A458-I544 HydrophobicContact CB-CG2 4.38Å; K461-I544 HydrophobicContact CB-CD1 3.86Å; M462-I544 HydrophobicContact CE-CG2 3.63Å; M462-I544 HydrophobicContact CG-CB 4.05Å; M462-I544 HydrophobicContact CG-CD1 3.91Å; M462-I544 HydrophobicContact CG-CG2 3.85Å; M462-I544 HydrophobicContact SD-CG2 4.18Å; K540-I544 HydrophobicContact CG-CD1 3.99Å; K540-I544 VanDerWaalsContact O-CG1 3.3Å; K540-I544 WeakPolarHBondContact O-CG1 3.23Å; K540-I544 PolarHBondContact O-N 2.9Å; K540-I544 VanDerWaalsContact O-N 3.13Å; F541-I544 PolarHBondContact O-N 3.37Å; F541-I544 VanDerWaalsContact O-N 3.14Å; D542-I544 PolarHBondContact O-N 3.3Å; I544-Q547 PolarHBondContact O-N 3.43Å; I544-V548 WeakPolarHBondContact O-CG2 3.28Å; I544-V548 PolarHBondContact O-N 3.13Å
545F90.2Very high85.7Confident0 Ų044.6 Ų44.60%024%0.238CC..Hα-helixtrans-65-43.5179.3-169.8-106000111.8F541 D542 Q547 V548 L549 L630 I631 M645 K648 M649F541-F545 HydrophobicContact CE1-CB 4.15Å; F541-F545 HydrophobicContact CE1-CG 4.37Å; F541-F545 HydrophobicContact CZ-CB 4.41Å; F541-F545 HydrophobicContact CZ-CD2 4.33Å; F541-F545 HydrophobicContact CZ-CG 4.47Å; F541-F545 WeakPolarHBondContact O-CB 3.47Å; F541-F545 PolarHBondContact O-N 3.25Å; D542-F545 PolarHBondContact O-N 2.9Å; F545-Q547 VanDerWaalsContact C-N 3.34Å; F545-Q547 PolarHBondContact O-N 3.41Å; F545-V548 WeakPolarHBondContact O-CB 3.39Å; F545-V548 PolarHBondContact O-N 3.42Å; F545-L549 HydrophobicContact CD1-CD1 4.04Å; F545-L549 HydrophobicContact CE1-CD1 3.61Å; F545-L549 HydrophobicContact CE1-CG 4.33Å; F545-L549 HydrophobicContact CZ-CD1 4.15Å; F545-L549 PolarHBondContact O-N 3.08Å; F545-L549 VanDerWaalsContact O-N 3.1Å; F545-L630 HydrophobicContact CD2-CD2 4.09Å; F545-L630 HydrophobicContact CE2-CD2 4.3Å; F545-I631 HydrophobicContact CE2-CG1 4.18Å; F545-I631 HydrophobicContact CZ-CG1 4.41Å; F545-M645 HydrophobicContact CD1-CG 4.27Å; F545-M645 HydrophobicContact CD2-CG 4.46Å; F545-M645 HydrophobicContact CE1-CB 4.13Å; F545-M645 HydrophobicContact CE1-CG 3.98Å; F545-M645 HydrophobicContact CE2-CG 4.19Å; F545-M645 HydrophobicContact CE2-SD 4.4Å; F545-M645 HydrophobicContact CG-CG 4.5Å; F545-M645 HydrophobicContact CZ-CB 4.24Å; F545-M645 HydrophobicContact CZ-CG 3.94Å; F545-K648 HydrophobicContact CD1-CB 4.02Å; F545-K648 HydrophobicContact CD1-CG 4.43Å; F545-K648 HydrophobicContact CE1-CB 4.11Å; F545-M649 HydrophobicContact CE1-CE 4.4Å; F545-M649 HydrophobicContact CZ-CE 3.77Å
546E90.6Very high86.5Confident41 Ų4141.6 Ų41.619%0.19222%0.22CC..Hα-helixtrans-59.5-43.9172.9-176.163.6-126.300111.9D542 V548 L549 S550 K648 H652D542-E546 WeakPolarHBondContact O-CB 3.45Å; D542-E546 PolarHBondContact O-N 2.92Å; E546-V548 VanDerWaalsContact C-N 3.33Å; E546-V548 PolarHBondContact O-N 3.17Å; E546-L549 PolarHBondContact O-N 2.93Å; E546-S550 VanDerWaalsContact O-CB 3.3Å; E546-S550 WeakPolarHBondContact O-CB 3.25Å; E546-S550 PolarHBondContact O-N 3.48Å; E546-S550 PolarHBondContact O-OG 2.8Å; E546-S550 PolarHBondContact OE1-OG 3.03Å; E546-K648 WeakPolarHBondContact OE2-CD 3.29Å; E546-K648 WeakPolarHBondContact OE2-CE 3.42Å; E546-K648 IonicContact OE2-NZ 3.22Å; E546-K648 PolarHBondContact OE2-NZ 2.99Å; E546-H652 IonicContact OE1-CD2 3.13Å; E546-H652 IonicContact OE1-CE1 3.05Å; E546-H652 IonicContact OE1-NE2 3.88Å; E546-H652 PolarHBondContact OE1-NE2 3.07Å
547Q88.5Confident87.3Confident66 Ų6642.3 Ų42.331%0.30822%0.216SC..Hα-helixtrans-63.2-39.2177.7-174.9167.717.400111.9L402 K543 I544 F545 E551L402-Q547 HydrophobicContact CB-CG 4.17Å; L402-Q547 HydrophobicContact CD2-CG 4.3Å; L402-Q547 PolarHBondContact O-NE2 3.23Å; K543-Q547 WeakPolarHBondContact O-CB 3.07Å; K543-Q547 PolarHBondContact O-N 2.85Å; I544-Q547 PolarHBondContact O-N 3.43Å; F545-Q547 VanDerWaalsContact C-N 3.34Å; F545-Q547 PolarHBondContact O-N 3.41Å; Q547-E551 VanDerWaalsContact O-CG 3.32Å; Q547-E551 WeakPolarHBondContact O-CG 3.38Å; Q547-E551 PolarHBondContact O-N 3.35Å; Q547-E551 VanDerWaalsContact O-N 3.15Å
548V90.6Very high87.7Confident0 Ų039.5 Ų39.50%021%0.206CC..Hα-helixtrans-59.4-49.1174165.10000110.9L402 F454 F455 A458 I544 F545 E546 L552 L627 L630L402-V548 HydrophobicContact CD2-CG2 3.6Å; F454-V548 HydrophobicContact CE1-CB 4.28Å; F454-V548 HydrophobicContact CE1-CG1 4.11Å; F454-V548 HydrophobicContact CE1-CG2 4Å; F454-V548 HydrophobicContact CZ-CG2 4.28Å; F455-V548 HydrophobicContact CE1-CG1 3.9Å; F455-V548 HydrophobicContact CZ-CG1 3.85Å; A458-V548 HydrophobicContact CB-CG2 3.76Å; I544-V548 WeakPolarHBondContact O-CG2 3.28Å; I544-V548 PolarHBondContact O-N 3.13Å; F545-V548 WeakPolarHBondContact O-CB 3.39Å; F545-V548 PolarHBondContact O-N 3.42Å; E546-V548 VanDerWaalsContact C-N 3.33Å; E546-V548 PolarHBondContact O-N 3.17Å; V548-L552 HydrophobicContact CG1-CD1 3.92Å; V548-L552 WeakPolarHBondContact O-CD1 3.39Å; V548-L552 VanDerWaalsContact O-CG 3.25Å; V548-L552 WeakPolarHBondContact O-CG 3.24Å; V548-L552 PolarHBondContact O-N 2.91Å; V548-L627 HydrophobicContact CG1-CD2 4.32Å; V548-L630 HydrophobicContact CG1-CD2 4.08Å; V548-L630 HydrophobicContact CG2-CD2 4.3Å
549L90.9Very high88.2Confident3 Ų338.1 Ų38.12%0.01620%0.201CC..Hα-helixtrans-67.3-43-178.7-63.6179.3000112.1F545 E546 E551 L552 E553 L627 K648 M649 H652F545-L549 HydrophobicContact CD1-CD1 4.04Å; F545-L549 HydrophobicContact CE1-CD1 3.61Å; F545-L549 HydrophobicContact CE1-CG 4.33Å; F545-L549 HydrophobicContact CZ-CD1 4.15Å; F545-L549 PolarHBondContact O-N 3.08Å; F545-L549 VanDerWaalsContact O-N 3.1Å; E546-L549 PolarHBondContact O-N 2.93Å; L549-E551 VanDerWaalsContact C-N 3.26Å; L549-E551 PolarHBondContact O-N 3.48Å; L549-L552 PolarHBondContact O-N 3.34Å; L549-E553 PolarHBondContact O-N 2.9Å; L549-L627 HydrophobicContact CD2-CD2 3.98Å; L549-K648 HydrophobicContact CD1-CB 4.26Å; L549-M649 HydrophobicContact CD1-CE 4.16Å; L549-M649 HydrophobicContact CD2-CE 3.67Å; L549-M649 HydrophobicContact CD2-SD 4.33Å; L549-H652 HydrophobicContact CD1-CB 4.46Å
550S89.1Confident88.5Confident54 Ų5437.4 Ų37.438%0.37819%0.193SC..Hα-helixtrans-63.4-27.2179.8-65.30000114E546 P554E546-S550 VanDerWaalsContact O-CB 3.3Å; E546-S550 WeakPolarHBondContact O-CB 3.25Å; E546-S550 PolarHBondContact O-N 3.48Å; E546-S550 PolarHBondContact O-OG 2.8Å; E546-S550 PolarHBondContact OE1-OG 3.03Å; S550-P554 WeakPolarHBondContact O-CD 3.31Å; S550-P554 VanDerWaalsContact O-CG 3.29Å; S550-P554 WeakPolarHBondContact O-CG 3.34Å
551E87.8Confident88.6Confident54 Ų5436.6 Ų36.625%0.25219%0.193SC..Hα-helixtrans-85-28.6176.2-72.1-72.9140.900112.6S403 L404 F454 Q547 L549S403-E551 WeakPolarHBondContact CA-OE2 3.43Å; L404-E551 HydrophobicContact CD1-CB 4.05Å; L404-E551 HydrophobicContact CG-CB 4.42Å; L404-E551 PolarHBondContact N-OE2 3.28Å; F454-E551 HydrophobicContact CE2-CB 4.41Å; F454-E551 HydrophobicContact CZ-CB 3.98Å; F454-E551 HydrophobicContact CZ-CG 4.39Å; Q547-E551 VanDerWaalsContact O-CG 3.32Å; Q547-E551 WeakPolarHBondContact O-CG 3.38Å; Q547-E551 PolarHBondContact O-N 3.35Å; Q547-E551 VanDerWaalsContact O-N 3.15Å; L549-E551 VanDerWaalsContact C-N 3.26Å; L549-E551 PolarHBondContact O-N 3.48Å
552L88.8Confident88.7Confident4 Ų436.5 Ų36.52%0.02119%0.193CC..Hα-helixtrans-74.6-40.4-178.6-72.3168.1000112.8L404 F455 V548 L549 L555 C556 I623 L627L404-L552 HydrophobicContact CD1-CD2 3.74Å; L404-L552 HydrophobicContact CD1-CG 4.28Å; F455-L552 HydrophobicContact CE2-CD1 4.06Å; F455-L552 HydrophobicContact CE2-CD2 4.17Å; F455-L552 HydrophobicContact CZ-CD1 3.76Å; V548-L552 HydrophobicContact CG1-CD1 3.92Å; V548-L552 WeakPolarHBondContact O-CD1 3.39Å; V548-L552 VanDerWaalsContact O-CG 3.25Å; V548-L552 WeakPolarHBondContact O-CG 3.24Å; V548-L552 PolarHBondContact O-N 2.91Å; L549-L552 PolarHBondContact O-N 3.34Å; L552-L555 PolarHBondContact O-N 3.13Å; L552-C556 PolarHBondContact O-N 3.24Å; L552-C556 PolarHBondContact O-SG 3.43Å; L552-I623 HydrophobicContact CD2-CD1 4.17Å; L552-I623 HydrophobicContact CD2-CG1 4.44Å; L552-L627 HydrophobicContact CD1-CD2 4.17Å
553E87.3Confident88.8Confident39 Ų3935 Ų3518%0.18219%0.185CC..Hα-helixtrans-56.4-57.5179.8175.4173.2-162.700113.1L549 L555 C556 L557 H652 L665L549-E553 PolarHBondContact O-N 2.9Å; E553-L555 PolarHBondContact O-N 3.21Å; E553-C556 PolarHBondContact O-N 3.17Å; E553-L557 HydrophobicContact CG-CD1 3.84Å; E553-L557 HydrophobicContact CG-CG 4.39Å; E553-L557 WeakPolarHBondContact O-CG 3.48Å; E553-L557 PolarHBondContact O-N 3.29Å; E553-H652 IonicContact OE2-ND1 2.8Å; E553-L665 HydrophobicContact CB-CD2 4.04Å; E553-L665 HydrophobicContact CG-CD2 3.75Å
554P87.5Confident88.8Confident70 Ų7028.4 Ų28.446%0.45516%0.157SC..Hα-helixtrans-64.2-29.9-178.925.1-34.6000112.6S550 A558S550-P554 WeakPolarHBondContact O-CD 3.31Å; S550-P554 VanDerWaalsContact O-CG 3.29Å; S550-P554 WeakPolarHBondContact O-CG 3.34Å; P554-A558 WeakPolarHBondContact O-CB 3.17Å; P554-A558 PolarHBondContact O-N 3.39Å
555L88.3Confident88.8Confident16 Ų1632.5 Ų32.58%0.08418%0.175CC..Hα-helixtrans-64.6-48.8175.1-171.868.6000111.3L404 Y447 L552 E553 E559 F620L404-L555 HydrophobicContact CB-CD2 4.35Å; L404-L555 HydrophobicContact CD1-CD2 3.79Å; L404-L555 HydrophobicContact CD2-CD2 4.47Å; L404-L555 HydrophobicContact CG-CD2 4.41Å; Y447-L555 HydrophobicContact CD1-CD2 4.16Å; Y447-L555 HydrophobicContact CE1-CD1 3.9Å; Y447-L555 HydrophobicContact CE1-CD2 3.99Å; Y447-L555 HydrophobicContact CE1-CG 4.07Å; L552-L555 PolarHBondContact O-N 3.13Å; E553-L555 PolarHBondContact O-N 3.21Å; L555-E559 PolarHBondContact O-N 3.09Å; L555-E559 VanDerWaalsContact O-N 3.13Å; L555-F620 HydrophobicContact CD2-CE1 4.1Å; L555-F620 HydrophobicContact CG-CE1 4.33Å; L555-F620 HydrophobicContact CG-CZ 4.42Å
556C89.1Confident88.7Confident1 Ų132.5 Ų32.51%0.00718%0.175CC..Hα-helixtrans-65.3-43.4179.4-65.50000111.3L552 E553 E559 Q560 M616 I623 L665L552-C556 PolarHBondContact O-N 3.24Å; L552-C556 PolarHBondContact O-SG 3.43Å; E553-C556 PolarHBondContact O-N 3.17Å; C556-E559 PolarHBondContact O-N 2.56Å; C556-Q560 WeakPolarHBondContact O-CB 3.36Å; C556-Q560 PolarHBondContact O-N 3.05Å; C556-M616 HydrophobicContact CB-CE 4.28Å; C556-M616 VanDerWaalsContact O-CE 3.24Å; C556-M616 WeakPolarHBondContact O-CE 3.24Å; C556-I623 VanDerWaalsContact SG-CD1 3.58Å; C556-L665 HydrophobicContact CB-CD1 4.29Å
557L88.1Confident88.5Confident67 Ų6730.6 Ų30.635%0.35117%0.166SC..Hα-helixtrans-65.3-41.3179.2-68.7177.5000112.1E553 Q560 D561E553-L557 HydrophobicContact CG-CD1 3.84Å; E553-L557 HydrophobicContact CG-CG 4.39Å; E553-L557 WeakPolarHBondContact O-CG 3.48Å; E553-L557 PolarHBondContact O-N 3.29Å; L557-Q560 PolarHBondContact O-N 2.75Å; L557-D561 WeakPolarHBondContact O-CB 3.41Å; L557-D561 PolarHBondContact O-N 3.05Å
558A87.6Confident88.1Confident38 Ų3831 Ų3131%0.31417%0.167SC..Hα-helixtrans-63.5-4317700000112.2P554 F562P554-A558 WeakPolarHBondContact O-CB 3.17Å; P554-A558 PolarHBondContact O-N 3.39Å; A558-F562 WeakPolarHBondContact O-CB 3.38Å; A558-F562 PolarHBondContact O-N 3.42Å
559E90.1Very high87.3Confident0 Ų031.3 Ų31.30%017%0.168CC..Hα-helixtrans-68-40.1177-171.664.9-152.400111.7H411 Y439 Y447 L555 C556 F562 I563 M616 F620H411-E559 IonicContact CD2-OE2 3.38Å; H411-E559 IonicContact CE1-OE2 3.09Å; H411-E559 PolarHBondContact CE1-OE2 3Å; H411-E559 IonicContact NE2-OE2 3.14Å; H411-E559 PolarHBondContact NE2-OE2 2.82Å; Y439-E559 PolarHBondContact OH-OE1 2.93Å; Y447-E559 HydrophobicContact CE2-CG 4.19Å; Y447-E559 PolarHBondContact OH-OE2 3.18Å; L555-E559 PolarHBondContact O-N 3.09Å; L555-E559 VanDerWaalsContact O-N 3.13Å; C556-E559 PolarHBondContact O-N 2.56Å; E559-F562 PolarHBondContact O-N 2.79Å; E559-I563 HydrophobicContact CG-CD1 4.06Å; E559-I563 VanDerWaalsContact O-CG1 3.31Å; E559-I563 WeakPolarHBondContact O-CG1 3.35Å; E559-I563 PolarHBondContact O-N 3.49Å; E559-M616 HydrophobicContact CB-CE 4.48Å; E559-M616 HydrophobicContact CB-SD 4.35Å; E559-M616 HydrophobicContact CG-SD 4.12Å; E559-F620 HydrophobicContact CB-CE2 3.74Å; E559-F620 HydrophobicContact CB-CZ 3.86Å; E559-F620 HydrophobicContact CG-CE2 3.69Å; E559-F620 HydrophobicContact CG-CZ 3.99Å
560Q88.8Confident85.7Confident44 Ų4437.1 Ų37.121%0.20620%0.195CC..Hα-helixtrans-62.5-44176.3-172.3177-54.900112C556 L557 I563 S564 V612 M616C556-Q560 WeakPolarHBondContact O-CB 3.36Å; C556-Q560 PolarHBondContact O-N 3.05Å; L557-Q560 PolarHBondContact O-N 2.75Å; Q560-I563 PolarHBondContact O-N 3.4Å; Q560-S564 WeakPolarHBondContact O-CB 3.48Å; Q560-S564 PolarHBondContact O-N 3.39Å; Q560-S564 PolarHBondContact O-OG 2.66Å; Q560-V612 HydrophobicContact CG-CG1 3.88Å; Q560-M616 HydrophobicContact CB-CE 3.93Å; Q560-M616 HydrophobicContact CB-CG 4.43Å; Q560-M616 HydrophobicContact CB-SD 4Å; Q560-M616 HydrophobicContact CG-CG 4.43Å
561D87.6Confident83.8Confident74 Ų7441.7 Ų41.740%0.39621%0.211SC..Hα-helixtrans-63-43.5175.3178.167.9000111.3L557 S564 K565L557-D561 WeakPolarHBondContact O-CB 3.41Å; L557-D561 PolarHBondContact O-N 3.05Å; D561-S564 PolarHBondContact O-N 3.25Å; D561-K565 WeakPolarHBondContact O-CB 3.25Å; D561-K565 WeakPolarHBondContact O-CG 3.38Å; D561-K565 PolarHBondContact O-N 3.26Å; D561-K565 WeakPolarHBondContact OD1-CE 3.35Å; D561-K565 IonicContact OD1-NZ 2.65Å; D561-K565 PolarHBondContact OD1-NZ 3.39Å; D561-K565 WeakPolarHBondContact OD2-CE 3.12Å; D561-K565 IonicContact OD2-NZ 2.69Å; D561-K565 PolarHBondContact OD2-NZ 3.41Å
562F90Very high81.3Confident2 Ų247.2 Ų47.21%0.00924%0.236CC..Hα-helixtrans-59.8-51.3175.2172.2-96.5000112.1H411 L414 L415 Y439 A558 E559 S564 K565 F566H411-F562 HydrophobicContact CB-CB 4.39Å; H411-F562 HydrophobicContact CB-CD2 3.54Å; H411-F562 HydrophobicContact CB-CE2 4.15Å; H411-F562 HydrophobicContact CB-CG 4.13Å; H411-F562 AromaticContact CD2-CD1 3.79Å; H411-F562 AromaticContact CD2-CD2 3.58Å; H411-F562 AromaticContact CD2-CG 3.36Å; H411-F562 WeakPolarHBondContact CD2-CG 3.16Å; H411-F562 AromaticContact CG-CD2 3.72Å; H411-F562 AromaticContact CG-CG 3.78Å; H411-F562 AromaticContact NE2-CG 3.88Å; L414-F562 HydrophobicContact CB-CE2 3.71Å; L414-F562 HydrophobicContact CB-CZ 3.65Å; L414-F562 HydrophobicContact CD1-CE1 4.45Å; L414-F562 HydrophobicContact CD1-CE2 4.42Å; L414-F562 HydrophobicContact CD1-CZ 3.73Å; L414-F562 HydrophobicContact CG-CZ 4.36Å; L415-F562 HydrophobicContact CD1-CD2 4.43Å; L415-F562 HydrophobicContact CD2-CD2 4.13Å; L415-F562 HydrophobicContact CD2-CE2 4.22Å; L415-F562 HydrophobicContact CG-CD2 3.94Å; L415-F562 HydrophobicContact CG-CE2 3.96Å; Y439-F562 HydrophobicContact CE1-CE1 4.15Å; Y439-F562 AromaticContact CE2-CE1 3.81Å; Y439-F562 HydrophobicContact CE2-CE1 3.81Å; Y439-F562 HydrophobicContact CE2-CZ 4.4Å; Y439-F562 AromaticContact CZ-CD1 3.97Å; Y439-F562 AromaticContact CZ-CE1 3.41Å; Y439-F562 VanDerWaalsContact CZ-CE1 3.41Å; Y439-F562 VanDerWaalsContact OH-CD1 3.23Å; Y439-F562 WeakPolarHBondContact OH-CD1 3.3Å; Y439-F562 WeakPolarHBondContact OH-CE1 3.34Å; A558-F562 WeakPolarHBondContact O-CB 3.38Å; A558-F562 PolarHBondContact O-N 3.42Å; E559-F562 PolarHBondContact O-N 2.79Å; F562-S564 VanDerWaalsContact C-N 3.28Å; F562-S564 PolarHBondContact O-N 3.48Å; F562-K565 PolarHBondContact O-N 3.49Å; F562-F566 HydrophobicContact CD2-CB 4.32Å; F562-F566 HydrophobicContact CE1-CB 3.99Å; F562-F566 HydrophobicContact CE1-CD1 4.22Å; F562-F566 HydrophobicContact CE1-CG 4.16Å; F562-F566 HydrophobicContact CE2-CB 3.82Å; F562-F566 HydrophobicContact CE2-CD2 4.25Å; F562-F566 HydrophobicContact CE2-CG 4.08Å; F562-F566 HydrophobicContact CZ-CB 3.63Å; F562-F566 AromaticContact CZ-CD1 3.95Å; F562-F566 HydrophobicContact CZ-CD1 3.95Å; F562-F566 AromaticContact CZ-CD2 3.99Å; F562-F566 HydrophobicContact CZ-CD2 3.99Å; F562-F566 AromaticContact CZ-CG 3.58Å; F562-F566 HydrophobicContact CZ-CG 3.58Å; F562-F566 VanDerWaalsContact O-CB 3.28Å; F562-F566 WeakPolarHBondContact O-CB 3.34Å; F562-F566 PolarHBondContact O-N 2.89Å
563I89.3Confident78.6Confident0 Ų055 Ų550%027%0.273CS..Hα-helixtrans-57.7-45.5179.9-71.4169000109.9Y439 E559 Q560 K565 F567 L569 V612 M615 M616 I619Y439-I563 HydrophobicContact CE1-CG1 4.33Å; E559-I563 HydrophobicContact CG-CD1 4.06Å; E559-I563 VanDerWaalsContact O-CG1 3.31Å; E559-I563 WeakPolarHBondContact O-CG1 3.35Å; E559-I563 PolarHBondContact O-N 3.49Å; Q560-I563 PolarHBondContact O-N 3.4Å; I563-K565 VanDerWaalsContact C-N 3.35Å; I563-K565 PolarHBondContact O-N 3.01Å; I563-F567 HydrophobicContact CB-CD2 4.38Å; I563-F567 HydrophobicContact CG2-CD2 3.96Å; I563-F567 VanDerWaalsContact O-CB 3.32Å; I563-F567 WeakPolarHBondContact O-CB 3.39Å; I563-F567 WeakPolarHBondContact O-CD2 3.45Å; I563-F567 PolarHBondContact O-N 2.79Å; I563-L569 HydrophobicContact CG2-CD1 4.28Å; I563-V612 HydrophobicContact CG2-CG1 4.32Å; I563-V612 HydrophobicContact CG2-CG2 4.34Å; I563-M615 HydrophobicContact CD1-CB 4.31Å; I563-M615 HydrophobicContact CG2-CE 4.1Å; I563-M615 HydrophobicContact CG2-SD 3.88Å; I563-M616 HydrophobicContact CD1-CG 4.33Å; I563-M616 HydrophobicContact CD1-SD 3.67Å; I563-I619 HydrophobicContact CD1-CD1 3.57Å
564S87.3Confident75.7Confident9 Ų959.2 Ų59.26%0.06330%0.301CS..Hα-helixtrans-60.6-43.3179.9-57.10000111.9Q560 D561 F562 K568 L569Q560-S564 WeakPolarHBondContact O-CB 3.48Å; Q560-S564 PolarHBondContact O-N 3.39Å; Q560-S564 PolarHBondContact O-OG 2.66Å; D561-S564 PolarHBondContact O-N 3.25Å; F562-S564 VanDerWaalsContact C-N 3.28Å; F562-S564 PolarHBondContact O-N 3.48Å; S564-K568 WeakPolarHBondContact O-CA 3.49Å; S564-K568 PolarHBondContact O-N 3.27Å; S564-L569 PolarHBondContact O-N 2.81Å; S564-L569 VanDerWaalsContact O-N 3.13Å
565K87.4Confident73.1Confident101 Ų10161.6 Ų61.644%0.43931%0.314SS..Hα-helixtrans-75.9-42.4-179.3-74.3172.9178.4161.50114.1L415 D561 F562 I563 K568L415-K565 HydrophobicContact CD2-CB 3.73Å; D561-K565 WeakPolarHBondContact O-CB 3.25Å; D561-K565 WeakPolarHBondContact O-CG 3.38Å; D561-K565 PolarHBondContact O-N 3.26Å; D561-K565 WeakPolarHBondContact OD1-CE 3.35Å; D561-K565 IonicContact OD1-NZ 2.65Å; D561-K565 PolarHBondContact OD1-NZ 3.39Å; D561-K565 WeakPolarHBondContact OD2-CE 3.12Å; D561-K565 IonicContact OD2-NZ 2.69Å; D561-K565 PolarHBondContact OD2-NZ 3.41Å; F562-K565 PolarHBondContact O-N 3.49Å; I563-K565 VanDerWaalsContact C-N 3.35Å; I563-K565 PolarHBondContact O-N 3.01Å; K565-K568 WeakPolarHBondContact O-CD 3.38Å
566F87.9Confident70.2Confident0 Ų068.2 Ų68.20%035%0.348CS..Hα-helixtrans-76-41.8-175.3-179-104.8000112.1F361 L414 L415 A418 M421 F562 K568F361-F566 HydrophobicContact CE1-CZ 4.45Å; F361-F566 HydrophobicContact CZ-CE1 4.21Å; F361-F566 HydrophobicContact CZ-CZ 4.24Å; L414-F566 HydrophobicContact CB-CD2 4.36Å; L414-F566 HydrophobicContact CB-CE2 4.16Å; L414-F566 WeakPolarHBondContact O-CD2 3.16Å; L414-F566 WeakPolarHBondContact O-CE2 3.26Å; L415-F566 HydrophobicContact CD2-CB 4.26Å; A418-F566 HydrophobicContact CB-CD2 4.43Å; M421-F566 HydrophobicContact CE-CE1 3.96Å; M421-F566 HydrophobicContact CE-CZ 4.44Å; M421-F566 HydrophobicContact CG-CD1 4.45Å; M421-F566 HydrophobicContact CG-CD2 4.49Å; M421-F566 HydrophobicContact CG-CE1 3.82Å; M421-F566 HydrophobicContact CG-CE2 3.84Å; M421-F566 HydrophobicContact CG-CZ 3.47Å; M421-F566 VanDerWaalsContact CG-CZ 3.47Å; M421-F566 HydrophobicContact SD-CE1 4.22Å; M421-F566 HydrophobicContact SD-CZ 4.1Å; F562-F566 HydrophobicContact CD2-CB 4.32Å; F562-F566 HydrophobicContact CE1-CB 3.99Å; F562-F566 HydrophobicContact CE1-CD1 4.22Å; F562-F566 HydrophobicContact CE1-CG 4.16Å; F562-F566 HydrophobicContact CE2-CB 3.82Å; F562-F566 HydrophobicContact CE2-CD2 4.25Å; F562-F566 HydrophobicContact CE2-CG 4.08Å; F562-F566 HydrophobicContact CZ-CB 3.63Å; F562-F566 AromaticContact CZ-CD1 3.95Å; F562-F566 HydrophobicContact CZ-CD1 3.95Å; F562-F566 AromaticContact CZ-CD2 3.99Å; F562-F566 HydrophobicContact CZ-CD2 3.99Å; F562-F566 AromaticContact CZ-CG 3.58Å; F562-F566 HydrophobicContact CZ-CG 3.58Å; F562-F566 VanDerWaalsContact O-CB 3.28Å; F562-F566 WeakPolarHBondContact O-CB 3.34Å; F562-F566 PolarHBondContact O-N 2.89Å; F566-K568 VanDerWaalsContact C-N 3.35Å
567F86.4Confident67.5Low1 Ų173.1 Ų73.10%0.00438%0.38CS..THydrogen-bonded Turntrans-89-1.1178.5-68-76.4000113.4M421 Y432 S436 Y439 I563 L569 M615M421-F567 HydrophobicContact CE-CD1 3.74Å; M421-F567 HydrophobicContact CE-CE1 3.57Å; Y432-F567 AromaticContact CE2-CD1 3.87Å; Y432-F567 HydrophobicContact CE2-CD1 3.87Å; Y432-F567 AromaticContact CZ-CD1 3.94Å; Y432-F567 WeakPolarHBondContact OH-CB 3.49Å; Y432-F567 PolarHBondContact OH-O 2.77Å; S436-F567 WeakPolarHBondContact OG-CD1 3.43Å; S436-F567 WeakPolarHBondContact OG-CE1 3.29Å; Y439-F567 AromaticContact CD1-CE2 3.84Å; Y439-F567 HydrophobicContact CD1-CE2 3.84Å; Y439-F567 AromaticContact CD1-CZ 3.91Å; Y439-F567 HydrophobicContact CD1-CZ 3.91Å; Y439-F567 HydrophobicContact CE1-CE2 4.18Å; Y439-F567 HydrophobicContact CG-CE2 4.32Å; Y439-F567 AromaticContact CG-CZ 4Å; Y439-F567 HydrophobicContact CG-CZ 4Å; I563-F567 HydrophobicContact CB-CD2 4.38Å; I563-F567 HydrophobicContact CG2-CD2 3.96Å; I563-F567 VanDerWaalsContact O-CB 3.32Å; I563-F567 WeakPolarHBondContact O-CB 3.39Å; I563-F567 WeakPolarHBondContact O-CD2 3.45Å; I563-F567 PolarHBondContact O-N 2.79Å; F567-L569 VanDerWaalsContact C-N 3.32Å; F567-L569 HydrophobicContact CB-CD1 3.82Å; F567-L569 HydrophobicContact CB-CD2 4.49Å; F567-L569 HydrophobicContact CB-CG 3.74Å; F567-L569 PolarHBondContact O-N 3.24Å; F567-M615 HydrophobicContact CD2-CE 3.82Å; F567-M615 HydrophobicContact CE1-CE 4.4Å; F567-M615 HydrophobicContact CE2-CE 3.53Å; F567-M615 HydrophobicContact CG-CE 4.36Å; F567-M615 HydrophobicContact CZ-CE 3.87Å
568K79.9Confident64.9Low75 Ų7576.1 Ų76.133%0.32640%0.404SS..THydrogen-bonded Turntrans50.952.3-179.9-58.8-66-172.8178.90111.6E422 K425 S564 K565 F566E422-K568 HydrophobicContact CB-CG 3.96Å; E422-K568 HydrophobicContact CG-CG 4.12Å; E422-K568 WeakPolarHBondContact OE2-CE 2.71Å; K425-K568 PolarHBondContact NZ-O 3.5Å; S564-K568 WeakPolarHBondContact O-CA 3.49Å; S564-K568 PolarHBondContact O-N 3.27Å; K565-K568 WeakPolarHBondContact O-CD 3.38Å; F566-K568 VanDerWaalsContact C-N 3.35Å
569L74.1Confident62.3Low6 Ų682.4 Ų82.43%0.03143%0.431CS..  trans-98.410.6-180-60.5177.7000112.4I563 S564 F567 E608 L611 V612 M615I563-L569 HydrophobicContact CG2-CD1 4.28Å; S564-L569 PolarHBondContact O-N 2.81Å; S564-L569 VanDerWaalsContact O-N 3.13Å; F567-L569 VanDerWaalsContact C-N 3.32Å; F567-L569 HydrophobicContact CB-CD1 3.82Å; F567-L569 HydrophobicContact CB-CD2 4.49Å; F567-L569 HydrophobicContact CB-CG 3.74Å; F567-L569 PolarHBondContact O-N 3.24Å; L569-E608 HydrophobicContact CB-CB 4.4Å; L569-E608 WeakPolarHBondContact O-CB 2.93Å; L569-L611 HydrophobicContact CD1-CD2 4Å; L569-L611 HydrophobicContact CD1-CG 4.21Å; L569-L611 HydrophobicContact CD2-CD2 3.81Å; L569-V612 HydrophobicContact CB-CG2 3.62Å; L569-V612 HydrophobicContact CD1-CG2 3.65Å; L569-V612 HydrophobicContact CG-CG2 4.29Å; L569-M615 HydrophobicContact CD1-SD 4.13Å
570Q58Low59.5Low125 Ų12586.6 Ų86.658%0.58447%0.466SS*.  trans-135.296.3176.9-156.5166.87.900108.1H572Q570-H572 PolarHBondContact O-N 2.83Å
571Q48.1Very low56.6Low150 Ų15093.1 Ų93.170%0.70150%0.496SS*.  trans-62.6120.6164.5-79.5-177.4-10.300108.1Q573Q571-Q573 PolarHBondContact O-N 3.26Å
572H35.5Very low53.9Low170 Ų17095.7 Ų95.779%0.78752%0.517SS*.  trans-60.1112.5172-154.142.6000107.2Q570 T574Q570-H572 PolarHBondContact O-N 2.83Å; H572-T574 VanDerWaalsContact C-N 3.29Å; H572-T574 PolarHBondContact O-N 2.84Å
573Q31.8Very low50.9Low168 Ų168103.5 Ų103.579%0.78555%0.554SS**  trans-55.5103.9160.3-90.5-177.9-7.900106Q571 V575Q571-Q573 PolarHBondContact O-N 3.26Å; Q573-V575 VanDerWaalsContact C-N 3.26Å; Q573-V575 PolarHBondContact O-N 3.25Å
574T27.4Very low48Very low126 Ų126109.6 Ų109.677%0.77359%0.591SS**  trans-6898166.7-20.40000104.8H572 L576H572-T574 VanDerWaalsContact C-N 3.29Å; H572-T574 PolarHBondContact O-N 2.84Å; T574-L576 PolarHBondContact O-N 2.99Å
575V31.4Very low45.1Very low121 Ų121118.6 Ų118.673%0.73363%0.632SS**  trans-61.7100173.5178.50000106.9Q573Q573-V575 VanDerWaalsContact C-N 3.26Å; Q573-V575 PolarHBondContact O-N 3.25Å
576L28.6Very low42.3Very low154 Ų154122.5 Ų122.581%0.80665%0.652SS**  trans-74.7133.8155.8-78.1163.2000107.2T574T574-L576 PolarHBondContact O-N 2.99Å
577P31.9Very low39.6Very low104 Ų104128.9 Ų128.968%0.67569%0.691SS**  trans-65.3143.3179.9-14.327.6000110.9L579P577-L579 PolarHBondContact O-N 3.34Å
578P34.3Very low36.8Very low130 Ų130136.3 Ų136.384%0.84473%0.73SS**  trans-74.5114173.915.8-6.3000109.7
579L31.7Very low34.6Very low171 Ų171136 Ų13690%0.89575%0.749SS**  trans-79.7117.3164.2-83.8161.5000109P577P577-L579 PolarHBondContact O-N 3.34Å
580A32.4Very low32.5Very low88 Ų88141.2 Ų141.273%0.72779%0.786SS**  trans26.1116.2153.400000118.8
581Q26.5Very low31.4Very low180 Ų180141.8 Ų141.884%0.84180%0.797SS**  trans-57.8152.8151.7-66.3175.8-34.200110.6
582P31.7Very low30.8Very low128 Ų128140.6 Ų140.683%0.83180%0.802SS**  -122.8147.3126.332.3-23.3000111.5
583E27.7Very low30.5Very low167 Ų167137.9 Ų137.978%0.7880%0.803SS**  trans-68.2149.7-177.2-62.3177.3136.700113.1
584T28.7Very low30.7Very low128 Ų128141.4 Ų141.479%0.78581%0.809SS**  trans52.5121145.7520000120.4
585E26.6Very low31.1Very low198 Ų198141.1 Ų141.193%0.92581%0.807SS**  -156.5132.6114.5-102.6-178.7-168.200109.8
586E28.6Very low31.2Very low183 Ų183140.6 Ų140.686%0.85581%0.806SS**  trans-79.4149.2171.1-63.9-157148.800110.6
587V30.9Very low31.5Very low134 Ų134139.1 Ų139.181%0.81281%0.805SS**  162.7130.5124.8161.90000112.1
588D27.9Very low31.7Very low157 Ų157142.6 Ų142.684%0.8481%0.812SS**  trans63.6108.4157.2-110.1-15.2000124.4
589G33.1Very low31.7Very low69 Ų69139 Ų13971%0.71179%0.794SS**  72.780.7102.400000120
590S30.6Very low31.9Very low115 Ų115136.4 Ų136.480%0.80478%0.781SS**  trans-163120144.560.90000113.6
591V34.7Very low32.2Very low137 Ų137140.2 Ų140.283%0.8378%0.783SS**  trans6.2122.3159.9-166.50000118.2S593V591-S593 PolarHBondContact O-N 3.14Å
592P34.3Very low32.5Very low124 Ų124142.5 Ų142.581%0.80578%0.784SS**  trans-83112.7173.431.7-28.3000110.9R594P592-R594 PolarHBondContact O-N 3.3Å
593S30Very low32.9Very low114 Ų114142.6 Ų142.680%0.79777%0.773SS**  trans-72.6120162.1-161.60000108.9V591 V595V591-S593 PolarHBondContact O-N 3.14Å; S593-V595 PolarHBondContact O-N 3.08Å; S593-V595 VanDerWaalsContact O-N 3.1Å
594R36Very low33.8Very low242 Ų242137.5 Ų137.591%0.91376%0.756SS**  trans-7295.3-173.5-165.3179-172178.62110.1P592P592-R594 PolarHBondContact O-N 3.3Å
595V36.1Very low34.8Very low120 Ų120134.9 Ų134.973%0.72774%0.74SS**  trans-119.5118.8158.5-175.80000106.8S593S593-V595 PolarHBondContact O-N 3.08Å; S593-V595 VanDerWaalsContact O-N 3.1Å
596P33.6Very low36.2Very low110 Ų110128.3 Ų128.371%0.71472%0.715SS**  trans-72.8129.9-178.227.4-28.3000109.9
597P35.3Very low37.9Very low122 Ų122123.1 Ų123.179%0.79270%0.7SS**  trans-72.7134.4163.822.1-15.1000108.8A599P597-A599 PolarHBondContact O-N 3.46Å
598Q34.7Very low39.9Very low177 Ų177118.3 Ų118.383%0.82767%0.668SS**  trans-43.4127-178.1-71.6173.4-49.200113.2D600Q598-D600 VanDerWaalsContact C-N 3.28Å; Q598-D600 PolarHBondContact O-N 2.63Å
599A34.4Very low42.1Very low55 Ų55116 Ų11646%0.45565%0.651SS.*  trans-85.415.5179.400000113.7P597 H601 H603P597-A599 PolarHBondContact O-N 3.46Å; A599-H601 PolarHBondContact O-N 2.82Å; A599-H603 PolarHBondContact O-CD2 2.87Å; A599-H603 VanDerWaalsContact O-CD2 3.25Å
600D36.6Very low44.3Very low117 Ų117116.6 Ų116.663%0.62664%0.637SS**THydrogen-bonded Turntrans-84.8-2.8-165.7-72.3-31.6000115.5Q598Q598-D600 VanDerWaalsContact C-N 3.28Å; Q598-D600 PolarHBondContact O-N 2.63Å
601H38.1Very low46.9Very low167 Ų167114.3 Ų114.377%0.77362%0.616SS**THydrogen-bonded Turntrans-110-18179.2-75.510000115.2A599A599-H601 PolarHBondContact O-N 2.82Å
602R34.1Very low49.3Very low229 Ų229108.3 Ų108.386%0.86458%0.579SS**Hα-helixtrans-86.6-27.2173.3-79.7-170.8174.9-166.3-0.6113.5
603H39.9Very low51.8Low130 Ų130107.2 Ų107.260%0.60256%0.559SS**Hα-helixtrans-80.1-30.1179.5-71.8-59.2000113.9A599 V605 S607A599-H603 PolarHBondContact O-CD2 2.87Å; A599-H603 VanDerWaalsContact O-CD2 3.25Å; H603-V605 PolarHBondContact O-N 3.47Å; H603-S607 PolarHBondContact O-N 2.89Å; H603-S607 VanDerWaalsContact O-N 3.16Å
604S46Very low54.5Low59 Ų59106.3 Ų106.341%0.41355%0.545SS..Hα-helixtrans-64.8-40.8179.1-172.20000112.7S607 E608S604-S607 PolarHBondContact O-N 3.48Å; S604-E608 PolarHBondContact O-N 3.38Å
605V50.4Low57Low74 Ų7495.3 Ų95.345%0.44850%0.504SS..Hα-helixtrans-74.7-31.3-176.8-1770000112.1H603H603-V605 PolarHBondContact O-N 3.47Å
606S54.9Low59.6Low59 Ų5989.6 Ų89.641%0.41347%0.47SS..Hα-helixtrans-67.2-44.8171.1128.70000110.6E608 K609 D610S606-E608 VanDerWaalsContact C-N 3.32Å; S606-E608 PolarHBondContact O-N 2.79Å; S606-K609 PolarHBondContact O-N 3.37Å; S606-D610 WeakPolarHBondContact O-CB 2.83Å; S606-D610 PolarHBondContact O-N 2.83Å; S606-D610 PolarHBondContact OG-OD2 2.91Å; S606-D610 VanDerWaalsContact OG-OD2 3.09Å
607S64.6Low62.3Low75 Ų7587.1 Ų87.152%0.52445%0.45SS..Hα-helixtrans-61.8-34.2-176.7-175.60000114H603 S604 L611H603-S607 PolarHBondContact O-N 2.89Å; H603-S607 VanDerWaalsContact O-N 3.16Å; S604-S607 PolarHBondContact O-N 3.48Å; S607-L611 PolarHBondContact O-N 3.42Å; S607-L611 VanDerWaalsContact O-N 3.15Å
608E71.8Confident64.9Low32 Ų3286.3 Ų86.315%0.1543%0.434CS..Hα-helixtrans-75.8-40.4178.6-64.9-166.8140.100112.3K425 L569 S604 S606 D610 L611 V612K425-E608 IonicContact NZ-OE1 3.57Å; K425-E608 PolarHBondContact NZ-OE1 3.3Å; L569-E608 HydrophobicContact CB-CB 4.4Å; L569-E608 WeakPolarHBondContact O-CB 2.93Å; S604-E608 PolarHBondContact O-N 3.38Å; S606-E608 VanDerWaalsContact C-N 3.32Å; S606-E608 PolarHBondContact O-N 2.79Å; E608-D610 VanDerWaalsContact C-N 3.31Å; E608-D610 PolarHBondContact O-N 3.1Å; E608-L611 WeakPolarHBondContact O-CB 3.43Å; E608-L611 PolarHBondContact O-N 3.17Å; E608-V612 PolarHBondContact O-N 3.42Å; E608-V612 VanDerWaalsContact O-N 3.08Å
609K74.5Confident67.6Low109 Ų10977.9 Ų77.947%0.47440%0.395SS..Hα-helixtrans-62.9-38.9172.1-73.4-170172.5-163.50111.9S606 L611 V612 R613S606-K609 PolarHBondContact O-N 3.37Å; K609-L611 VanDerWaalsContact C-N 3.28Å; K609-L611 PolarHBondContact O-N 2.91Å; K609-V612 PolarHBondContact O-N 3.16Å; K609-R613 PolarHBondContact O-N 3.42Å
610D80.3Confident70.4Confident81 Ų8175.3 Ų75.343%0.43337%0.374SS..Hα-helixtrans-62.6-36175.2-71.7-38.9000111.7S606 E608 R613 L614S606-D610 WeakPolarHBondContact O-CB 2.83Å; S606-D610 PolarHBondContact O-N 2.83Å; S606-D610 PolarHBondContact OG-OD2 2.91Å; S606-D610 VanDerWaalsContact OG-OD2 3.09Å; E608-D610 VanDerWaalsContact C-N 3.31Å; E608-D610 PolarHBondContact O-N 3.1Å; D610-R613 PolarHBondContact O-N 2.86Å; D610-L614 WeakPolarHBondContact O-CB 3.42Å; D610-L614 PolarHBondContact O-N 3.39Å
611L83.9Confident72.9Confident68 Ų6874.9 Ų74.936%0.35637%0.368SS..Hα-helixtrans-68.6-43.6175.4-173.464.3000112.1L569 S607 E608 K609 R613 L614 M615L569-L611 HydrophobicContact CD1-CD2 4Å; L569-L611 HydrophobicContact CD1-CG 4.21Å; L569-L611 HydrophobicContact CD2-CD2 3.81Å; S607-L611 PolarHBondContact O-N 3.42Å; S607-L611 VanDerWaalsContact O-N 3.15Å; E608-L611 WeakPolarHBondContact O-CB 3.43Å; E608-L611 PolarHBondContact O-N 3.17Å; K609-L611 VanDerWaalsContact C-N 3.28Å; K609-L611 PolarHBondContact O-N 2.91Å; L611-R613 VanDerWaalsContact C-N 3.27Å; L611-R613 PolarHBondContact O-N 3.46Å; L611-L614 HydrophobicContact CD1-CD2 4.43Å; L611-L614 PolarHBondContact O-N 3.4Å; L611-L614 VanDerWaalsContact O-N 3.17Å; L611-M615 HydrophobicContact CG-SD 4.43Å; L611-M615 WeakPolarHBondContact O-CG 3.2Å; L611-M615 PolarHBondContact O-N 3.39Å
612V86.4Confident75.4Confident10 Ų1067.2 Ų67.26%0.06133%0.333CS..Hα-helixtrans-56.7-46.2173.4175.60000109.9Q560 I563 L569 E608 K609 L614 M615 M616Q560-V612 HydrophobicContact CG-CG1 3.88Å; I563-V612 HydrophobicContact CG2-CG1 4.32Å; I563-V612 HydrophobicContact CG2-CG2 4.34Å; L569-V612 HydrophobicContact CB-CG2 3.62Å; L569-V612 HydrophobicContact CD1-CG2 3.65Å; L569-V612 HydrophobicContact CG-CG2 4.29Å; E608-V612 PolarHBondContact O-N 3.42Å; E608-V612 VanDerWaalsContact O-N 3.08Å; K609-V612 PolarHBondContact O-N 3.16Å; V612-L614 VanDerWaalsContact C-N 3.34Å; V612-L614 PolarHBondContact O-N 3.01Å; V612-M615 PolarHBondContact O-N 3.02Å; V612-M616 HydrophobicContact CG1-CG 4.33Å; V612-M616 WeakPolarHBondContact O-CB 3.36Å; V612-M616 VanDerWaalsContact O-CG 3.31Å; V612-M616 WeakPolarHBondContact O-CG 3.33Å; V612-M616 PolarHBondContact O-N 3.28Å
613R85.4Confident78.2Confident101 Ų10156.4 Ų56.438%0.38129%0.292SS..Hα-helixtrans-62-40.4177.5-162.7179.772.31011.7112.1K609 D610 L611 M616 N617K609-R613 PolarHBondContact O-N 3.42Å; D610-R613 PolarHBondContact O-N 2.86Å; L611-R613 VanDerWaalsContact C-N 3.27Å; L611-R613 PolarHBondContact O-N 3.46Å; R613-M616 PolarHBondContact O-N 3.32Å; R613-N617 WeakPolarHBondContact O-CB 3.38Å; R613-N617 PolarHBondContact O-N 2.94Å; R613-N617 PolarHBondContact O-ND2 3.02Å
614L87.5Confident80.7Confident96 Ų9653.6 Ų53.650%0.50328%0.279SS..Hα-helixtrans-64.3-41.8176.4-174.969.5000111.9D610 L611 V612 K618D610-L614 WeakPolarHBondContact O-CB 3.42Å; D610-L614 PolarHBondContact O-N 3.39Å; L611-L614 HydrophobicContact CD1-CD2 4.43Å; L611-L614 PolarHBondContact O-N 3.4Å; L611-L614 VanDerWaalsContact O-N 3.17Å; V612-L614 VanDerWaalsContact C-N 3.34Å; V612-L614 PolarHBondContact O-N 3.01Å; L614-K618 PolarHBondContact O-N 3.19Å
615M89.4Confident83Confident11 Ų1154.2 Ų54.25%0.05428%0.282CS..Hα-helixtrans-64.8-46.5176.1-67.4177.673.900111V440 I563 F567 L569 L611 V612 N617 K618 I619V440-M615 HydrophobicContact CG2-CB 4.05Å; V440-M615 HydrophobicContact CG2-CE 3.53Å; V440-M615 HydrophobicContact CG2-CG 3.97Å; I563-M615 HydrophobicContact CD1-CB 4.31Å; I563-M615 HydrophobicContact CG2-CE 4.1Å; I563-M615 HydrophobicContact CG2-SD 3.88Å; F567-M615 HydrophobicContact CD2-CE 3.82Å; F567-M615 HydrophobicContact CE1-CE 4.4Å; F567-M615 HydrophobicContact CE2-CE 3.53Å; F567-M615 HydrophobicContact CG-CE 4.36Å; F567-M615 HydrophobicContact CZ-CE 3.87Å; L569-M615 HydrophobicContact CD1-SD 4.13Å; L611-M615 HydrophobicContact CG-SD 4.43Å; L611-M615 WeakPolarHBondContact O-CG 3.2Å; L611-M615 PolarHBondContact O-N 3.39Å; V612-M615 PolarHBondContact O-N 3.02Å; M615-N617 PolarHBondContact O-N 2.82Å; M615-K618 PolarHBondContact O-N 3.36Å; M615-I619 VanDerWaalsContact O-CG1 3.31Å; M615-I619 WeakPolarHBondContact O-CG1 3.31Å; M615-I619 PolarHBondContact O-N 3.25Å
616M90.9Very high85Confident0 Ų052 Ų520%027%0.267CS..Hα-helixtrans-60.2-44.9176.8-71.4-63.1-69.100112.3C556 E559 Q560 I563 V612 R613 K618 I619 F620 F664C556-M616 HydrophobicContact CB-CE 4.28Å; C556-M616 VanDerWaalsContact O-CE 3.24Å; C556-M616 WeakPolarHBondContact O-CE 3.24Å; E559-M616 HydrophobicContact CB-CE 4.48Å; E559-M616 HydrophobicContact CB-SD 4.35Å; E559-M616 HydrophobicContact CG-SD 4.12Å; Q560-M616 HydrophobicContact CB-CE 3.93Å; Q560-M616 HydrophobicContact CB-CG 4.43Å; Q560-M616 HydrophobicContact CB-SD 4Å; Q560-M616 HydrophobicContact CG-CG 4.43Å; I563-M616 HydrophobicContact CD1-CG 4.33Å; I563-M616 HydrophobicContact CD1-SD 3.67Å; V612-M616 HydrophobicContact CG1-CG 4.33Å; V612-M616 WeakPolarHBondContact O-CB 3.36Å; V612-M616 VanDerWaalsContact O-CG 3.31Å; V612-M616 WeakPolarHBondContact O-CG 3.33Å; V612-M616 PolarHBondContact O-N 3.28Å; R613-M616 PolarHBondContact O-N 3.32Å; M616-K618 VanDerWaalsContact C-N 3.28Å; M616-K618 PolarHBondContact O-N 3.34Å; M616-I619 PolarHBondContact O-N 3.41Å; M616-F620 HydrophobicContact CE-CD2 3.53Å; M616-F620 HydrophobicContact CE-CE2 3.43Å; M616-F620 VanDerWaalsContact CE-CE2 3.43Å; M616-F620 PolarHBondContact O-N 3.16Å; M616-F620 HydrophobicContact SD-CD2 4.16Å; M616-F620 HydrophobicContact SD-CE2 3.99Å; M616-F664 HydrophobicContact CB-CB 3.81Å; M616-F664 HydrophobicContact CB-CD1 4.1Å; M616-F664 HydrophobicContact CB-CD2 4Å; M616-F664 HydrophobicContact CB-CG 3.67Å; M616-F664 HydrophobicContact CE-CD1 3.85Å; M616-F664 HydrophobicContact CE-CE1 4.4Å; M616-F664 HydrophobicContact CE-CG 4.49Å; M616-F664 HydrophobicContact CG-CB 4.43Å
617N89.6Confident86.8Confident57 Ų5749.2 Ų49.231%0.30525%0.247SC..Hα-helixtrans-58.1-40.2175.9-83.8-57.2000112.5R613 M615 Q621 F664R613-N617 WeakPolarHBondContact O-CB 3.38Å; R613-N617 PolarHBondContact O-N 2.94Å; R613-N617 PolarHBondContact O-ND2 3.02Å; M615-N617 PolarHBondContact O-N 2.82Å; N617-Q621 WeakPolarHBondContact O-CA 3.35Å; N617-Q621 WeakPolarHBondContact O-CB 3.49Å; N617-Q621 PolarHBondContact O-N 3.15Å; N617-Q621 VanDerWaalsContact O-N 3.13Å; N617-F664 HydrophobicContact CB-CD2 4.44Å; N617-F664 HydrophobicContact CB-CE2 4.42Å; N617-F664 WeakPolarHBondContact OD1-CD2 3.46Å; N617-F664 WeakPolarHBondContact OD1-CE2 3.39Å
618K90.1Very high88.2Confident105 Ų10547.4 Ų47.446%0.45723%0.232SC..Hα-helixtrans-70.7-47.7176.4-74.7-174.1175.4-171.70111.6V440 N444 L614 M615 M616 F620V440-K618 HydrophobicContact CG1-CB 3.58Å; V440-K618 HydrophobicContact CG1-CD 4.02Å; V440-K618 HydrophobicContact CG1-CG 4.47Å; N444-K618 PolarHBondContact ND2-O 3.02Å; L614-K618 PolarHBondContact O-N 3.19Å; M615-K618 PolarHBondContact O-N 3.36Å; M616-K618 VanDerWaalsContact C-N 3.28Å; M616-K618 PolarHBondContact O-N 3.34Å; K618-F620 VanDerWaalsContact C-N 3.35Å; K618-F620 PolarHBondContact O-N 3.38Å
619I91Very high89.2Confident0 Ų048.4 Ų48.40%024%0.242CC..Hα-helixtrans-60.1-46.9-177.7-69.3169.6000110.7Y439 V440 M443 N444 Y447 I563 M615 M616Y439-I619 HydrophobicContact CE1-CD1 4.21Å; V440-I619 HydrophobicContact CB-CG1 4.39Å; V440-I619 HydrophobicContact CG1-CG1 4.08Å; V440-I619 HydrophobicContact CG2-CD1 4.2Å; V440-I619 HydrophobicContact CG2-CG1 4.27Å; M443-I619 HydrophobicContact CB-CD1 4.4Å; M443-I619 HydrophobicContact CB-CG1 4.31Å; M443-I619 HydrophobicContact CB-CG2 4.24Å; N444-I619 PolarHBondContact ND2-O 2.93Å; Y447-I619 HydrophobicContact CD2-CG2 3.31Å; Y447-I619 HydrophobicContact CE2-CG2 3.78Å; Y447-I619 HydrophobicContact CG-CG2 4.2Å; I563-I619 HydrophobicContact CD1-CD1 3.57Å; M615-I619 VanDerWaalsContact O-CG1 3.31Å; M615-I619 WeakPolarHBondContact O-CG1 3.31Å; M615-I619 PolarHBondContact O-N 3.25Å; M616-I619 PolarHBondContact O-N 3.41Å
620F92.2Very high90.1Very high2 Ų243.3 Ų43.31%0.00922%0.22CC..THydrogen-bonded Turntrans-104.123.8-173.4-68.4-68.8000114.4Y447 I451 L555 E559 M616 K618 S622 I623 F664Y447-F620 AromaticContact CD1-CE1 3.67Å; Y447-F620 HydrophobicContact CD1-CE1 3.67Å; Y447-F620 HydrophobicContact CD1-CZ 4.2Å; Y447-F620 HydrophobicContact CD2-CE1 4.13Å; Y447-F620 HydrophobicContact CD2-CZ 4.2Å; Y447-F620 AromaticContact CE1-CE1 3.95Å; Y447-F620 HydrophobicContact CE1-CE1 3.95Å; Y447-F620 HydrophobicContact CE1-CZ 4.05Å; Y447-F620 HydrophobicContact CE2-CE1 4.36Å; Y447-F620 HydrophobicContact CE2-CZ 4.03Å; Y447-F620 HydrophobicContact CG-CD1 4.4Å; Y447-F620 AromaticContact CG-CE1 3.76Å; Y447-F620 HydrophobicContact CG-CE1 3.76Å; Y447-F620 HydrophobicContact CG-CZ 4.27Å; Y447-F620 AromaticContact CZ-CZ 3.95Å; I451-F620 HydrophobicContact CD1-CD1 3.73Å; I451-F620 HydrophobicContact CD1-CE1 4.17Å; L555-F620 HydrophobicContact CD2-CE1 4.1Å; L555-F620 HydrophobicContact CG-CE1 4.33Å; L555-F620 HydrophobicContact CG-CZ 4.42Å; E559-F620 HydrophobicContact CB-CE2 3.74Å; E559-F620 HydrophobicContact CB-CZ 3.86Å; E559-F620 HydrophobicContact CG-CE2 3.69Å; E559-F620 HydrophobicContact CG-CZ 3.99Å; M616-F620 HydrophobicContact CE-CD2 3.53Å; M616-F620 HydrophobicContact CE-CE2 3.43Å; M616-F620 VanDerWaalsContact CE-CE2 3.43Å; M616-F620 PolarHBondContact O-N 3.16Å; M616-F620 HydrophobicContact SD-CD2 4.16Å; M616-F620 HydrophobicContact SD-CE2 3.99Å; K618-F620 VanDerWaalsContact C-N 3.35Å; K618-F620 PolarHBondContact O-N 3.38Å; F620-S622 PolarHBondContact O-N 3.05Å; F620-I623 HydrophobicContact CB-CD1 3.73Å; F620-I623 HydrophobicContact CB-CG1 4.06Å; F620-I623 HydrophobicContact CD1-CD1 3.55Å; F620-I623 HydrophobicContact CD1-CG1 4.15Å; F620-I623 HydrophobicContact CE1-CD1 4.4Å; F620-I623 HydrophobicContact CG-CD1 3.86Å; F620-I623 PolarHBondContact O-N 3Å; F620-F664 HydrophobicContact CB-CE1 3.69Å; F620-F664 HydrophobicContact CB-CE2 4.42Å; F620-F664 HydrophobicContact CB-CZ 3.43Å; F620-F664 VanDerWaalsContact CB-CZ 3.43Å; F620-F664 HydrophobicContact CD2-CE1 4.13Å; F620-F664 HydrophobicContact CG-CE1 4.18Å; F620-F664 HydrophobicContact CG-CZ 4.38Å
621Q90.1Very high90.7Very high108 Ų10839.4 Ų39.451%0.50520%0.199SC..THydrogen-bonded Turntrans-55.6-20.5-179.771-175.41.600114.1N444 N617 P625N444-Q621 PolarHBondContact ND2-NE2 3.42Å; N617-Q621 WeakPolarHBondContact O-CA 3.35Å; N617-Q621 WeakPolarHBondContact O-CB 3.49Å; N617-Q621 PolarHBondContact O-N 3.15Å; N617-Q621 VanDerWaalsContact O-N 3.13Å; Q621-P625 WeakPolarHBondContact O-CD 3.48Å
622S90.8Very high91.1Very high5 Ų538.9 Ų38.94%0.03520%0.204CC..THydrogen-bonded Turntrans-82.3-16.4179.158.40000114.5F620 P625 E626F620-S622 PolarHBondContact O-N 3.05Å; S622-P625 WeakPolarHBondContact O-CD 3.32Å; S622-P625 WeakPolarHBondContact O-CG 3.33Å; S622-E626 WeakPolarHBondContact O-CB 3.28Å; S622-E626 VanDerWaalsContact O-CG 3.3Å; S622-E626 WeakPolarHBondContact O-CG 3.39Å; S622-E626 PolarHBondContact O-N 3.41Å; S622-E626 VanDerWaalsContact O-N 3.16Å
623I92.2Very high91.2Very high3 Ų340.7 Ų40.72%0.01521%0.213CC..Hα-helixtrans-63.5-51.1-177.2-67.7-174.8000111I451 L552 C556 F620 E626 L627 T668I451-I623 HydrophobicContact CD1-CD1 4.25Å; I451-I623 HydrophobicContact CD1-CG1 3.73Å; I451-I623 HydrophobicContact CG2-CG1 4.43Å; L552-I623 HydrophobicContact CD2-CD1 4.17Å; L552-I623 HydrophobicContact CD2-CG1 4.44Å; C556-I623 VanDerWaalsContact SG-CD1 3.58Å; F620-I623 HydrophobicContact CB-CD1 3.73Å; F620-I623 HydrophobicContact CB-CG1 4.06Å; F620-I623 HydrophobicContact CD1-CD1 3.55Å; F620-I623 HydrophobicContact CD1-CG1 4.15Å; F620-I623 HydrophobicContact CE1-CD1 4.4Å; F620-I623 HydrophobicContact CG-CD1 3.86Å; F620-I623 PolarHBondContact O-N 3Å; I623-E626 PolarHBondContact O-N 3Å; I623-L627 HydrophobicContact CG2-CD1 3.6Å; I623-L627 HydrophobicContact CG2-CG 4.21Å; I623-L627 WeakPolarHBondContact O-CB 3.35Å; I623-L627 WeakPolarHBondContact O-CG 3.33Å; I623-L627 PolarHBondContact O-N 3.33Å; I623-T668 HydrophobicContact CG2-CG2 4.27Å
624E92.6Very high91.3Very high71 Ų7135.9 Ų35.933%0.33220%0.196SC..Hα-helixtrans-58.3-51-178.8-170.8173.9152.800113.4N628 T668 V672E624-N628 WeakPolarHBondContact O-CB 3.22Å; E624-N628 PolarHBondContact O-N 2.95Å; E624-N628 PolarHBondContact O-ND2 2.97Å; E624-T668 HydrophobicContact CB-CG2 4.06Å; E624-V672 HydrophobicContact CG-CG2 3.96Å
625P93.6Very high91.4Very high72 Ų7232.6 Ų32.647%0.46818%0.179SC..Hα-helixtrans-66.3-36.9178.624.5-33.8000113.1Q621 S622 N628 S629Q621-P625 WeakPolarHBondContact O-CD 3.48Å; S622-P625 WeakPolarHBondContact O-CD 3.32Å; S622-P625 WeakPolarHBondContact O-CG 3.33Å; P625-N628 PolarHBondContact O-N 2.91Å; P625-S629 WeakPolarHBondContact O-CB 3.46Å; P625-S629 PolarHBondContact O-N 3.23Å
626E92.1Very high91.4Very high27 Ų2740.3 Ų40.313%0.12621%0.212CC..Hα-helixtrans-70.9-38.6178.3-69-57.5151.200112.4I451 K452 F455 K459 S622 I623 S629 L630I451-E626 HydrophobicContact CG2-CG 4.44Å; K452-E626 HydrophobicContact CG-CG 4.21Å; F455-E626 HydrophobicContact CB-CB 4.14Å; F455-E626 HydrophobicContact CB-CG 4.49Å; F455-E626 HydrophobicContact CD1-CB 3.85Å; F455-E626 HydrophobicContact CD2-CB 3.82Å; F455-E626 HydrophobicContact CE1-CB 4.17Å; F455-E626 HydrophobicContact CE2-CB 4.13Å; F455-E626 HydrophobicContact CG-CB 3.66Å; F455-E626 HydrophobicContact CG-CG 4.44Å; F455-E626 HydrophobicContact CZ-CB 4.29Å; K459-E626 IonicContact NZ-OE2 3.62Å; K459-E626 PolarHBondContact NZ-OE2 3.09Å; S622-E626 WeakPolarHBondContact O-CB 3.28Å; S622-E626 VanDerWaalsContact O-CG 3.3Å; S622-E626 WeakPolarHBondContact O-CG 3.39Å; S622-E626 PolarHBondContact O-N 3.41Å; S622-E626 VanDerWaalsContact O-N 3.16Å; I623-E626 PolarHBondContact O-N 3Å; E626-S629 WeakPolarHBondContact O-CB 3.31Å; E626-S629 PolarHBondContact O-N 2.76Å; E626-L630 WeakPolarHBondContact O-CB 3.39Å; E626-L630 PolarHBondContact O-N 3.06Å
627L93.8Very high91.2Very high0 Ų044.2 Ų44.20%023%0.232CC..Hα-helixtrans-60.3-47.7170.8-80171.5000111.3F455 V548 L549 L552 I623 S629 L630 I631 L669 V672F455-L627 HydrophobicContact CE1-CB 4.48Å; F455-L627 HydrophobicContact CE1-CD2 3.74Å; F455-L627 HydrophobicContact CE1-CG 4Å; F455-L627 HydrophobicContact CZ-CD2 3.63Å; F455-L627 HydrophobicContact CZ-CG 3.69Å; V548-L627 HydrophobicContact CG1-CD2 4.32Å; L549-L627 HydrophobicContact CD2-CD2 3.98Å; L552-L627 HydrophobicContact CD1-CD2 4.17Å; I623-L627 HydrophobicContact CG2-CD1 3.6Å; I623-L627 HydrophobicContact CG2-CG 4.21Å; I623-L627 WeakPolarHBondContact O-CB 3.35Å; I623-L627 WeakPolarHBondContact O-CG 3.33Å; I623-L627 PolarHBondContact O-N 3.33Å; L627-S629 VanDerWaalsContact C-N 3.29Å; L627-S629 PolarHBondContact O-N 2.86Å; L627-L630 WeakPolarHBondContact O-CB 3.04Å; L627-L630 PolarHBondContact O-N 3.16Å; L627-I631 WeakPolarHBondContact O-CB 3.12Å; L627-I631 WeakPolarHBondContact O-CD1 3.35Å; L627-I631 VanDerWaalsContact O-CG1 3.26Å; L627-I631 WeakPolarHBondContact O-CG1 3.47Å; L627-I631 PolarHBondContact O-N 3.28Å; L627-L669 HydrophobicContact CD1-CD2 4.07Å; L627-V672 HydrophobicContact CB-CG1 4.09Å; L627-V672 HydrophobicContact CB-CG2 4.13Å; L627-V672 HydrophobicContact CD1-CG1 4.47Å; L627-V672 HydrophobicContact CD1-CG2 4.06Å
628N93.8Very high91Very high38 Ų3843 Ų4320%0.20323%0.226CC..Hα-helixtrans-62.2-37.3177-77.9-60000111.9E624 P625 I631 A632 T675E624-N628 WeakPolarHBondContact O-CB 3.22Å; E624-N628 PolarHBondContact O-N 2.95Å; E624-N628 PolarHBondContact O-ND2 2.97Å; P625-N628 PolarHBondContact O-N 2.91Å; N628-I631 PolarHBondContact O-N 2.87Å; N628-A632 WeakPolarHBondContact O-CB 3.19Å; N628-A632 PolarHBondContact O-N 2.8Å; N628-T675 WeakPolarHBondContact OD1-CB 3.28Å; N628-T675 WeakPolarHBondContact OD1-CG2 3.04Å; N628-T675 PolarHBondContact OD1-OG1 3.35Å
629S93.7Very high90.8Very high53 Ų5339.8 Ų39.837%0.37122%0.216SC..Hα-helixtrans-63.1-42.6173.6-178.10000111.9K459 P625 E626 L627 A632 L633K459-S629 PolarHBondContact NZ-OG 2.94Å; P625-S629 WeakPolarHBondContact O-CB 3.46Å; P625-S629 PolarHBondContact O-N 3.23Å; E626-S629 WeakPolarHBondContact O-CB 3.31Å; E626-S629 PolarHBondContact O-N 2.76Å; L627-S629 VanDerWaalsContact C-N 3.29Å; L627-S629 PolarHBondContact O-N 2.86Å; S629-A632 PolarHBondContact O-N 3.3Å; S629-L633 PolarHBondContact O-N 3.29Å
630L91.9Very high90.6Very high1 Ų141.5 Ų41.51%0.00522%0.223CC..Hα-helixtrans-62.6-46.3176.4-162.966.8000112.1F455 A458 K459 M462 F545 V548 E626 L627 A632 L633 G634F455-L630 HydrophobicContact CD1-CB 4.13Å; F455-L630 HydrophobicContact CD1-CD1 4.35Å; F455-L630 HydrophobicContact CD1-CD2 3.97Å; F455-L630 HydrophobicContact CD1-CG 4.4Å; F455-L630 HydrophobicContact CE1-CB 4.18Å; F455-L630 HydrophobicContact CE1-CD2 3.77Å; A458-L630 HydrophobicContact CB-CD1 4.48Å; K459-L630 HydrophobicContact CB-CD1 4.47Å; K459-L630 HydrophobicContact CG-CD1 3.49Å; K459-L630 VanDerWaalsContact CG-CD1 3.49Å; M462-L630 HydrophobicContact CE-CD1 3.11Å; M462-L630 HydrophobicContact CE-CD2 3.78Å; M462-L630 HydrophobicContact CE-CG 3.68Å; M462-L630 HydrophobicContact SD-CD1 4.02Å; M462-L630 HydrophobicContact SD-CD2 4.5Å; M462-L630 HydrophobicContact SD-CG 4.19Å; F545-L630 HydrophobicContact CD2-CD2 4.09Å; F545-L630 HydrophobicContact CE2-CD2 4.3Å; V548-L630 HydrophobicContact CG1-CD2 4.08Å; V548-L630 HydrophobicContact CG2-CD2 4.3Å; E626-L630 WeakPolarHBondContact O-CB 3.39Å; E626-L630 PolarHBondContact O-N 3.06Å; L627-L630 WeakPolarHBondContact O-CB 3.04Å; L627-L630 PolarHBondContact O-N 3.16Å; L630-A632 VanDerWaalsContact C-N 3.33Å; L630-A632 PolarHBondContact O-N 2.86Å; L630-L633 WeakPolarHBondContact O-CB 3.23Å; L630-L633 PolarHBondContact O-N 3.37Å; L630-G634 PolarHBondContact O-N 2.93Å
631I92.9Very high90.5Very high0 Ų041.7 Ų41.70%022%0.224CC..Hα-helixtrans-62.6-41.5178.1-71.2158.5000110.7F545 L627 N628 L633 G634 D635 M645 V672 V676 N679F545-I631 HydrophobicContact CE2-CG1 4.18Å; F545-I631 HydrophobicContact CZ-CG1 4.41Å; L627-I631 WeakPolarHBondContact O-CB 3.12Å; L627-I631 WeakPolarHBondContact O-CD1 3.35Å; L627-I631 VanDerWaalsContact O-CG1 3.26Å; L627-I631 WeakPolarHBondContact O-CG1 3.47Å; L627-I631 PolarHBondContact O-N 3.28Å; N628-I631 PolarHBondContact O-N 2.87Å; I631-L633 VanDerWaalsContact C-N 3.32Å; I631-L633 PolarHBondContact O-N 3.46Å; I631-G634 PolarHBondContact O-N 3.09Å; I631-D635 PolarHBondContact O-N 3.38Å; I631-M645 HydrophobicContact CB-SD 4Å; I631-M645 HydrophobicContact CG1-SD 3.76Å; I631-M645 HydrophobicContact CG2-CE 4.21Å; I631-M645 HydrophobicContact CG2-SD 3.84Å; I631-V672 HydrophobicContact CD1-CG1 3.24Å; I631-V676 HydrophobicContact CD1-CG2 3.5Å; I631-V676 HydrophobicContact CG1-CG2 4.07Å; I631-V676 HydrophobicContact CG2-CG2 4.23Å; I631-N679 VanDerWaalsContact CG2-ND2 3.32Å; I631-N679 WeakPolarHBondContact CG2-ND2 3.34Å
632A92.2Very high90.5Very high56 Ų5636.5 Ų36.546%0.46320%0.2SC..Hα-helixtrans-64.9-36175.900000112.4N628 S629 L630 K636N628-A632 WeakPolarHBondContact O-CB 3.19Å; N628-A632 PolarHBondContact O-N 2.8Å; S629-A632 PolarHBondContact O-N 3.3Å; L630-A632 VanDerWaalsContact C-N 3.33Å; L630-A632 PolarHBondContact O-N 2.86Å; A632-K636 WeakPolarHBondContact O-CB 3.41Å; A632-K636 PolarHBondContact O-N 3.32Å; A632-K636 VanDerWaalsContact O-N 3.12Å
633L90.3Very high90.5Very high48 Ų4836.3 Ų36.325%0.25120%0.199SC..Hα-helixtrans-66.3-45.5172.2-179.365.6000111K459 S629 L630 I631 D635 K636 I637K459-L633 HydrophobicContact CB-CD2 3.67Å; K459-L633 HydrophobicContact CG-CD2 3.75Å; S629-L633 PolarHBondContact O-N 3.29Å; L630-L633 WeakPolarHBondContact O-CB 3.23Å; L630-L633 PolarHBondContact O-N 3.37Å; I631-L633 VanDerWaalsContact C-N 3.32Å; I631-L633 PolarHBondContact O-N 3.46Å; L633-D635 PolarHBondContact O-N 3.48Å; L633-K636 WeakPolarHBondContact O-CB 3.07Å; L633-K636 PolarHBondContact O-N 2.89Å; L633-K636 VanDerWaalsContact O-N 3.13Å; L633-I637 HydrophobicContact CD1-CD1 4.31Å; L633-I637 HydrophobicContact CD1-CG1 4.43Å; L633-I637 HydrophobicContact CG-CD1 3.98Å; L633-I637 WeakPolarHBondContact O-CG1 3.41Å; L633-I637 PolarHBondContact O-N 3.35Å
634G87.5Confident90.4Very high1 Ų137.1 Ų37.11%0.0120%0.202CC..Hα-helixtrans-56.2-48.8175.900000112.7L630 I631 K636 I637 D638 H641L630-G634 PolarHBondContact O-N 2.93Å; I631-G634 PolarHBondContact O-N 3.09Å; G634-K636 VanDerWaalsContact C-N 3.26Å; G634-K636 PolarHBondContact O-N 3.3Å; G634-I637 PolarHBondContact O-N 3.06Å; G634-D638 PolarHBondContact O-N 3.23Å; G634-H641 PolarHBondContact O-ND1 2.94Å
635D89.1Confident90.4Very high27 Ų2733.8 Ų33.814%0.14419%0.186CC..Hα-helixtrans-60.8-34175.8-17059000112.3I631 L633 K682I631-D635 PolarHBondContact O-N 3.38Å; L633-D635 PolarHBondContact O-N 3.48Å; D635-K682 IonicContact OD2-NZ 3.63Å; D635-K682 PolarHBondContact OD2-NZ 3.31Å
636K88.6Confident90.3Very high173 Ų17330.3 Ų30.375%0.75216%0.164SC*.Hα-helixtrans-74.3-33.7178.2-173.3-179178.4-174.60112.9A632 L633 G634A632-K636 WeakPolarHBondContact O-CB 3.41Å; A632-K636 PolarHBondContact O-N 3.32Å; A632-K636 VanDerWaalsContact O-N 3.12Å; L633-K636 WeakPolarHBondContact O-CB 3.07Å; L633-K636 PolarHBondContact O-N 2.89Å; L633-K636 VanDerWaalsContact O-N 3.13Å; G634-K636 VanDerWaalsContact C-N 3.26Å; G634-K636 PolarHBondContact O-N 3.3Å
637I87.3Confident90.3Very high81 Ų8130.3 Ų30.342%0.41517%0.165SC..Hα-helixtrans-71.6-54.6177.1-65165.9000109.3L633 G634L633-I637 HydrophobicContact CD1-CD1 4.31Å; L633-I637 HydrophobicContact CD1-CG1 4.43Å; L633-I637 HydrophobicContact CG-CD1 3.98Å; L633-I637 WeakPolarHBondContact O-CG1 3.41Å; L633-I637 PolarHBondContact O-N 3.35Å; G634-I637 PolarHBondContact O-N 3.06Å
638D84.8Confident90.1Very high33 Ų3332.8 Ų32.818%0.17618%0.176CC..  trans-152.1127.8173.9-178.2-0.2000109.9R538 G634 F640 H641R538-D638 IonicContact CZ-OD2 2.68Å; R538-D638 VanDerWaalsContact CZ-OD2 3.23Å; R538-D638 IonicContact NE-OD2 3.19Å; R538-D638 PolarHBondContact NE-OD2 2.95Å; R538-D638 IonicContact NH2-OD2 3.77Å; R538-D638 PolarHBondContact NH2-OD2 3.5Å; G634-D638 PolarHBondContact O-N 3.23Å; D638-F640 PolarHBondContact O-N 3.03Å; D638-F640 VanDerWaalsContact OD1-CD2 3.29Å; D638-F640 WeakPolarHBondContact OD1-CD2 3.19Å; D638-F640 PolarHBondContact OD1-N 3.04Å; D638-H641 VanDerWaalsContact CB-CE1 3.45Å; D638-H641 WeakPolarHBondContact CB-CE1 3.27Å; D638-H641 WeakPolarHBondContact CB-ND1 3.27Å; D638-H641 PolarHBondContact N-ND1 3.34Å; D638-H641 VanDerWaalsContact O-CB 3.31Å; D638-H641 WeakPolarHBondContact O-CB 3.05Å; D638-H641 PolarHBondContact O-N 2.86Å; D638-H641 VanDerWaalsContact O-N 3.08Å; D638-H641 PolarHBondContact O-ND1 3.28Å
639S87.1Confident90.1Very high37 Ų3731 Ų3126%0.25917%0.166SC..THydrogen-bonded Turntrans-59.7-27.1176.869.50000113.3H641 S642 C683S639-H641 PolarHBondContact O-N 2.97Å; S639-S642 VanDerWaalsContact O-CB 3.32Å; S639-S642 WeakPolarHBondContact O-CB 3.1Å; S639-S642 PolarHBondContact O-N 3.41Å; S639-S642 PolarHBondContact O-OG 3.41Å; S639-C683 PolarHBondContact O-SG 2.64Å
640F86.4Confident89.9Confident35 Ų3528.7 Ų28.715%0.15415%0.15CC..THydrogen-bonded Turntrans-70.1-16.8177.5-68.3-66000113.2D638 S642 L643 Q687 F714 L717D638-F640 PolarHBondContact O-N 3.03Å; D638-F640 VanDerWaalsContact OD1-CD2 3.29Å; D638-F640 WeakPolarHBondContact OD1-CD2 3.19Å; D638-F640 PolarHBondContact OD1-N 3.04Å; F640-S642 PolarHBondContact O-N 2.91Å; F640-S642 VanDerWaalsContact O-N 3.11Å; F640-L643 HydrophobicContact CB-CD1 4.33Å; F640-L643 HydrophobicContact CD1-CD1 3.93Å; F640-L643 WeakPolarHBondContact O-CB 3.43Å; F640-L643 PolarHBondContact O-N 3.12Å; F640-Q687 HydrophobicContact CE1-CG 4.41Å; F640-Q687 HydrophobicContact CZ-CG 4.46Å; F640-Q687 VanDerWaalsContact CZ-NE2 3.26Å; F640-F714 AromaticContact CD1-CD2 3.94Å; F640-F714 HydrophobicContact CD1-CD2 3.94Å; F640-F714 HydrophobicContact CD1-CE2 4.22Å; F640-F714 AromaticContact CE1-CD2 3.43Å; F640-F714 HydrophobicContact CE1-CD2 3.43Å; F640-F714 VanDerWaalsContact CE1-CD2 3.43Å; F640-F714 AromaticContact CE1-CE2 3.98Å; F640-F714 HydrophobicContact CE1-CE2 3.98Å; F640-F714 HydrophobicContact CE1-CG 4.45Å; F640-F714 HydrophobicContact CZ-CD2 4.46Å; F640-L717 HydrophobicContact CB-CD2 4.47Å
641H89.5Confident89.9Confident6 Ų632.9 Ų32.93%0.02817%0.17CC..Hα-helixtrans-58-24.3170.1-66.9128.3000112.3F541 G634 D638 S639 L643 Y644 M645F541-H641 WeakPolarHBondContact CB-NE2 3.3Å; F541-H641 HydrophobicContact CD1-CB 3.97Å; F541-H641 AromaticContact CD1-CD2 3.29Å; F541-H641 WeakPolarHBondContact CD1-CD2 3.06Å; F541-H641 AromaticContact CD1-CG 3.76Å; F541-H641 AromaticContact CD2-CD2 3.94Å; F541-H641 HydrophobicContact CE1-CB 3.72Å; F541-H641 AromaticContact CE1-CD2 3.98Å; F541-H641 AromaticContact CE1-CG 3.99Å; F541-H641 HydrophobicContact CE2-CB 4.46Å; F541-H641 HydrophobicContact CG-CB 4.47Å; F541-H641 AromaticContact CG-CD2 3.28Å; F541-H641 WeakPolarHBondContact CG-CD2 3.46Å; F541-H641 AromaticContact CG-CG 3.84Å; F541-H641 AromaticContact CG-NE2 3.6Å; F541-H641 HydrophobicContact CZ-CB 3.98Å; G634-H641 PolarHBondContact O-ND1 2.94Å; D638-H641 VanDerWaalsContact CB-CE1 3.45Å; D638-H641 WeakPolarHBondContact CB-CE1 3.27Å; D638-H641 WeakPolarHBondContact CB-ND1 3.27Å; D638-H641 PolarHBondContact N-ND1 3.34Å; D638-H641 VanDerWaalsContact O-CB 3.31Å; D638-H641 WeakPolarHBondContact O-CB 3.05Å; D638-H641 PolarHBondContact O-N 2.86Å; D638-H641 VanDerWaalsContact O-N 3.08Å; D638-H641 PolarHBondContact O-ND1 3.28Å; S639-H641 PolarHBondContact O-N 2.97Å; H641-L643 PolarHBondContact O-N 2.9Å; H641-Y644 PolarHBondContact O-N 3.39Å; H641-M645 HydrophobicContact CB-CE 3.99Å; H641-M645 WeakPolarHBondContact O-CG 3.37Å; H641-M645 PolarHBondContact O-N 3.41Å
642S90.8Very high89.7Confident0 Ų033.4 Ų33.40%017%0.172CC..Hα-helixtrans-59.3-28.5175.4660000113.8S639 F640 L646 C683S639-S642 VanDerWaalsContact O-CB 3.32Å; S639-S642 WeakPolarHBondContact O-CB 3.1Å; S639-S642 PolarHBondContact O-N 3.41Å; S639-S642 PolarHBondContact O-OG 3.41Å; F640-S642 PolarHBondContact O-N 2.91Å; F640-S642 VanDerWaalsContact O-N 3.11Å; S642-L646 VanDerWaalsContact O-CB 3.27Å; S642-L646 WeakPolarHBondContact O-CB 3.44Å; S642-L646 PolarHBondContact O-N 2.93Å; S642-C683 WeakPolarHBondContact OG-CB 3.29Å
643L90.5Very high89.6Confident0 Ų030.9 Ų30.90%015%0.151CC..Hα-helixtrans-64-52.6174.1-68.1161000111F640 H641 L646 V647 F680 F714 L717 A718 I721 F722F640-L643 HydrophobicContact CB-CD1 4.33Å; F640-L643 HydrophobicContact CD1-CD1 3.93Å; F640-L643 WeakPolarHBondContact O-CB 3.43Å; F640-L643 PolarHBondContact O-N 3.12Å; H641-L643 PolarHBondContact O-N 2.9Å; L643-L646 PolarHBondContact O-N 3.04Å; L643-V647 PolarHBondContact O-N 3.25Å; L643-F680 HydrophobicContact CD2-CD2 4.04Å; L643-F680 HydrophobicContact CD2-CE2 3.59Å; L643-F714 HydrophobicContact CD1-CD2 4.4Å; L643-F714 HydrophobicContact CD1-CE2 3.9Å; L643-F714 HydrophobicContact CD2-CE2 4.13Å; L643-F714 HydrophobicContact CD2-CZ 4.32Å; L643-L717 HydrophobicContact CD1-CD2 4.27Å; L643-A718 HydrophobicContact CD2-CB 4.36Å; L643-I721 HydrophobicContact CB-CD1 3.9Å; L643-I721 HydrophobicContact CD1-CD1 4.28Å; L643-F722 HydrophobicContact CB-CE2 4.17Å; L643-F722 HydrophobicContact CD2-CE2 3.71Å; L643-F722 HydrophobicContact CD2-CZ 4.32Å
644Y90Very high89.5Confident21 Ų2134.2 Ų34.28%0.08216%0.16CC..Hα-helixtrans-61.9-48.8178.2-67.4-84.3000110.9R538 D542 H641 L646 V647 K648 L717 I721R538-Y644 HydrophobicContact CB-CE2 3.96Å; R538-Y644 HydrophobicContact CG-CE2 4.46Å; D542-Y644 HydrophobicContact CB-CD1 3.71Å; D542-Y644 HydrophobicContact CB-CE1 4.12Å; D542-Y644 HydrophobicContact CB-CG 4.26Å; D542-Y644 WeakPolarHBondContact OD1-CD1 3.47Å; H641-Y644 PolarHBondContact O-N 3.39Å; Y644-L646 VanDerWaalsContact C-N 3.26Å; Y644-L646 PolarHBondContact O-N 2.67Å; Y644-V647 PolarHBondContact O-N 3.43Å; Y644-K648 WeakPolarHBondContact O-CG 3.19Å; Y644-K648 PolarHBondContact O-N 2.9Å; Y644-L717 WeakPolarHBondContact OH-CD1 3.42Å; Y644-I721 HydrophobicContact CD1-CD1 3.99Å; Y644-I721 HydrophobicContact CD1-CG1 4.01Å; Y644-I721 HydrophobicContact CD1-CG2 4.27Å; Y644-I721 HydrophobicContact CD2-CD1 3.82Å; Y644-I721 HydrophobicContact CE1-CD1 3.62Å; Y644-I721 HydrophobicContact CE1-CG1 3.54Å; Y644-I721 HydrophobicContact CE2-CD1 3.42Å; Y644-I721 VanDerWaalsContact CE2-CD1 3.42Å; Y644-I721 HydrophobicContact CE2-CG1 4.29Å; Y644-I721 HydrophobicContact CG-CD1 4.09Å
645M91.7Very high89.4Confident0 Ų036.1 Ų36.10%017%0.172CC..Hα-helixtrans-57.1-40.6178-69.6-173.2-77.800111.7F541 F545 I631 H641 M649 V676F541-M645 HydrophobicContact CE1-CG 3.72Å; F541-M645 HydrophobicContact CE1-SD 4.31Å; F541-M645 HydrophobicContact CZ-CE 4.42Å; F541-M645 HydrophobicContact CZ-CG 3.82Å; F541-M645 HydrophobicContact CZ-SD 3.81Å; F545-M645 HydrophobicContact CD1-CG 4.27Å; F545-M645 HydrophobicContact CD2-CG 4.46Å; F545-M645 HydrophobicContact CE1-CB 4.13Å; F545-M645 HydrophobicContact CE1-CG 3.98Å; F545-M645 HydrophobicContact CE2-CG 4.19Å; F545-M645 HydrophobicContact CE2-SD 4.4Å; F545-M645 HydrophobicContact CG-CG 4.5Å; F545-M645 HydrophobicContact CZ-CB 4.24Å; F545-M645 HydrophobicContact CZ-CG 3.94Å; I631-M645 HydrophobicContact CB-SD 4Å; I631-M645 HydrophobicContact CG1-SD 3.76Å; I631-M645 HydrophobicContact CG2-CE 4.21Å; I631-M645 HydrophobicContact CG2-SD 3.84Å; H641-M645 HydrophobicContact CB-CE 3.99Å; H641-M645 WeakPolarHBondContact O-CG 3.37Å; H641-M645 PolarHBondContact O-N 3.41Å; M645-M649 WeakPolarHBondContact O-CB 3.29Å; M645-M649 PolarHBondContact O-N 2.9Å; M645-V676 HydrophobicContact CB-CG1 3.64Å; M645-V676 HydrophobicContact CB-CG2 4.36Å
646L92.3Very high89.2Confident0 Ų035 Ų350%017%0.166CC..Hα-helixtrans-64.5-45.4-179.6-176.162.7000111.4S642 L643 Y644 S650 L673 V676 K677 F680 F722S642-L646 VanDerWaalsContact O-CB 3.27Å; S642-L646 WeakPolarHBondContact O-CB 3.44Å; S642-L646 PolarHBondContact O-N 2.93Å; L643-L646 PolarHBondContact O-N 3.04Å; Y644-L646 VanDerWaalsContact C-N 3.26Å; Y644-L646 PolarHBondContact O-N 2.67Å; L646-S650 WeakPolarHBondContact O-CB 3.39Å; L646-S650 PolarHBondContact O-N 3.39Å; L646-S650 PolarHBondContact O-OG 3.4Å; L646-L673 HydrophobicContact CD1-CD1 3.89Å; L646-V676 HydrophobicContact CB-CG1 4.01Å; L646-V676 HydrophobicContact CD1-CG1 4.3Å; L646-K677 HydrophobicContact CD1-CB 4.25Å; L646-F680 HydrophobicContact CD2-CB 4.17Å; L646-F680 HydrophobicContact CD2-CD1 3.99Å; L646-F680 HydrophobicContact CD2-CD2 4.07Å; L646-F680 HydrophobicContact CD2-CE1 4.41Å; L646-F680 HydrophobicContact CD2-CE2 4.49Å; L646-F680 HydrophobicContact CD2-CG 3.8Å; L646-F722 HydrophobicContact CD2-CE1 4.37Å; L646-F722 HydrophobicContact CD2-CZ 4.13Å
647V92Very high89Confident26 Ų2631 Ų3116%0.15815%0.15CC..Hα-helixtrans-67.6-50.5179.4175.40000111.3L643 Y644 S650 H651 I721 F722 A725L643-V647 PolarHBondContact O-N 3.25Å; Y644-V647 PolarHBondContact O-N 3.43Å; V647-S650 PolarHBondContact O-N 3.49Å; V647-H651 PolarHBondContact O-N 2.71Å; V647-H651 VanDerWaalsContact O-N 3.1Å; V647-I721 HydrophobicContact CB-CG2 4.27Å; V647-I721 HydrophobicContact CG2-CG2 3.79Å; V647-F722 HydrophobicContact CG2-CD1 3.78Å; V647-F722 HydrophobicContact CG2-CD2 3.88Å; V647-F722 HydrophobicContact CG2-CE1 3.6Å; V647-F722 HydrophobicContact CG2-CE2 3.69Å; V647-F722 HydrophobicContact CG2-CG 3.92Å; V647-F722 HydrophobicContact CG2-CZ 3.55Å; V647-A725 HydrophobicContact CG1-CB 4Å; V647-A725 HydrophobicContact CG2-CB 3.85Å
648K90.8Very high88.7Confident52 Ų5231.8 Ų31.823%0.22616%0.156CC..Hα-helixtrans-63.2-49.6-178.2-61.7-40.3-159.8137.90112D542 F545 E546 L549 Y644 S650 H651 H652D542-K648 WeakPolarHBondContact OD1-CE 3.31Å; F545-K648 HydrophobicContact CD1-CB 4.02Å; F545-K648 HydrophobicContact CD1-CG 4.43Å; F545-K648 HydrophobicContact CE1-CB 4.11Å; E546-K648 WeakPolarHBondContact OE2-CD 3.29Å; E546-K648 WeakPolarHBondContact OE2-CE 3.42Å; E546-K648 IonicContact OE2-NZ 3.22Å; E546-K648 PolarHBondContact OE2-NZ 2.99Å; L549-K648 HydrophobicContact CD1-CB 4.26Å; Y644-K648 WeakPolarHBondContact O-CG 3.19Å; Y644-K648 PolarHBondContact O-N 2.9Å; K648-S650 VanDerWaalsContact C-N 3.31Å; K648-S650 PolarHBondContact O-N 3.39Å; K648-H651 PolarHBondContact O-N 3.33Å; K648-H652 PolarHBondContact O-CD2 2.96Å; K648-H652 VanDerWaalsContact O-CD2 3.28Å; K648-H652 PolarHBondContact O-N 2.86Å; K648-H652 VanDerWaalsContact O-N 3.12Å
649M91.9Very high88.3Confident0 Ų035.2 Ų35.20%018%0.178CC..Hα-helixtrans-62.9-38.6179.4-173.464.364.700111.8F545 L549 M645 H651 H652 V653 L669 V672 L673F545-M649 HydrophobicContact CE1-CE 4.4Å; F545-M649 HydrophobicContact CZ-CE 3.77Å; L549-M649 HydrophobicContact CD1-CE 4.16Å; L549-M649 HydrophobicContact CD2-CE 3.67Å; L549-M649 HydrophobicContact CD2-SD 4.33Å; M645-M649 WeakPolarHBondContact O-CB 3.29Å; M645-M649 PolarHBondContact O-N 2.9Å; M649-H651 PolarHBondContact O-N 2.91Å; M649-H652 PolarHBondContact O-N 2.86Å; M649-V653 VanDerWaalsContact O-CG2 3.31Å; M649-V653 WeakPolarHBondContact O-CG2 3.36Å; M649-V653 PolarHBondContact O-N 2.91Å; M649-L669 HydrophobicContact SD-CB 4.2Å; M649-L669 HydrophobicContact SD-CD2 3.92Å; M649-V672 HydrophobicContact CE-CB 4.46Å; M649-V672 HydrophobicContact CE-CG1 3.65Å; M649-V672 HydrophobicContact SD-CG1 4.3Å; M649-L673 HydrophobicContact CB-CD1 4.01Å; M649-L673 HydrophobicContact CG-CB 3.82Å; M649-L673 HydrophobicContact CG-CD1 3.85Å; M649-L673 HydrophobicContact CG-CG 4.37Å
650S91.4Very high87.7Confident5 Ų535.8 Ų35.84%0.03518%0.178CC..Hα-helixtrans-62.1-43.7177.1-61.50000111.9L646 V647 K648 H652 V653 W654 L673 R727L646-S650 WeakPolarHBondContact O-CB 3.39Å; L646-S650 PolarHBondContact O-N 3.39Å; L646-S650 PolarHBondContact O-OG 3.4Å; V647-S650 PolarHBondContact O-N 3.49Å; K648-S650 VanDerWaalsContact C-N 3.31Å; K648-S650 PolarHBondContact O-N 3.39Å; S650-H652 PolarHBondContact O-N 3.43Å; S650-V653 PolarHBondContact O-N 2.96Å; S650-W654 WeakPolarHBondContact O-CB 3.46Å; S650-W654 PolarHBondContact O-N 2.88Å; S650-L673 WeakPolarHBondContact OG-CD1 3.22Å; S650-R727 WeakPolarHBondContact OG-CD 3.46Å
651H90.4Very high87.1Confident90 Ų9038.7 Ų38.742%0.41720%0.2SC..Hα-helixtrans-63-42.2179-175.758.2000112.8V647 K648 M649 W654 T655 E726V647-H651 PolarHBondContact O-N 2.71Å; V647-H651 VanDerWaalsContact O-N 3.1Å; K648-H651 PolarHBondContact O-N 3.33Å; M649-H651 PolarHBondContact O-N 2.91Å; H651-W654 PolarHBondContact O-N 3.38Å; H651-T655 WeakPolarHBondContact O-CB 3.44Å; H651-T655 PolarHBondContact O-N 2.81Å; H651-T655 PolarHBondContact O-OG1 2.94Å; H651-E726 IonicContact ND1-OE1 2.8Å; H651-E726 PolarHBondContact ND1-OE1 3.35Å
652H89.1Confident86.4Confident10 Ų1041.5 Ų41.55%0.04622%0.224CC..Hα-helixtrans-66.3-38.7175.9-82.9-87.8000112.2E546 L549 E553 K648 M649 S650 A656 L669E546-H652 IonicContact OE1-CD2 3.13Å; E546-H652 IonicContact OE1-CE1 3.05Å; E546-H652 IonicContact OE1-NE2 3.88Å; E546-H652 PolarHBondContact OE1-NE2 3.07Å; L549-H652 HydrophobicContact CD1-CB 4.46Å; E553-H652 IonicContact OE2-ND1 2.8Å; K648-H652 PolarHBondContact O-CD2 2.96Å; K648-H652 VanDerWaalsContact O-CD2 3.28Å; K648-H652 PolarHBondContact O-N 2.86Å; K648-H652 VanDerWaalsContact O-N 3.12Å; M649-H652 PolarHBondContact O-N 2.86Å; S650-H652 PolarHBondContact O-N 3.43Å; H652-A656 WeakPolarHBondContact O-CB 3.4Å; H652-A656 PolarHBondContact O-N 3.4Å; H652-L669 HydrophobicContact CB-CD1 4.13Å
653V90.7Very high86Confident4 Ų442 Ų422%0.02423%0.228CC..Hα-helixtrans-63-47.5173170.20000111.3M649 S650 T655 A656 E657 L669 L673M649-V653 VanDerWaalsContact O-CG2 3.31Å; M649-V653 WeakPolarHBondContact O-CG2 3.36Å; M649-V653 PolarHBondContact O-N 2.91Å; S650-V653 PolarHBondContact O-N 2.96Å; V653-T655 VanDerWaalsContact C-N 3.33Å; V653-T655 PolarHBondContact O-N 2.94Å; V653-A656 PolarHBondContact O-N 2.79Å; V653-E657 HydrophobicContact CG1-CG 4.16Å; V653-E657 WeakPolarHBondContact O-CB 3.39Å; V653-E657 WeakPolarHBondContact O-CG 3.38Å; V653-E657 PolarHBondContact O-N 2.84Å; V653-L669 VanDerWaalsContact CG2-C 3.46Å; V653-L669 HydrophobicContact CG2-CB 3.48Å; V653-L669 VanDerWaalsContact CG2-CB 3.48Å; V653-L673 HydrophobicContact CB-CD2 4.13Å; V653-L673 HydrophobicContact CG1-CD2 4.27Å; V653-L673 HydrophobicContact CG2-CB 4.2Å; V653-L673 HydrophobicContact CG2-CD2 3.91Å
654W87.3Confident85.9Confident117 Ų11742.3 Ų42.344%0.44323%0.229SC..Hα-helixtrans-61.8-40.8179.3179.385.6000112.6S650 H651 A656 E657 N658 E726S650-W654 WeakPolarHBondContact O-CB 3.46Å; S650-W654 PolarHBondContact O-N 2.88Å; H651-W654 PolarHBondContact O-N 3.38Å; W654-A656 VanDerWaalsContact C-N 3.35Å; W654-A656 PolarHBondContact O-N 3.43Å; W654-E657 PolarHBondContact O-N 3.38Å; W654-N658 VanDerWaalsContact CD2-ND2 3.29Å; W654-N658 VanDerWaalsContact CE3-ND2 3.33Å; W654-N658 WeakPolarHBondContact CH2-ND2 3.48Å; W654-N658 WeakPolarHBondContact CZ2-ND2 3.45Å; W654-N658 VanDerWaalsContact CZ3-ND2 3.28Å; W654-N658 WeakPolarHBondContact CZ3-ND2 3.48Å; W654-N658 VanDerWaalsContact O-CG 3.3Å; W654-N658 PolarHBondContact O-N 3.49Å; W654-N658 PolarHBondContact O-ND2 3.48Å; W654-E726 WeakPolarHBondContact CB-OE2 3.44Å; W654-E726 VanDerWaalsContact CD2-OE1 3.26Å; W654-E726 VanDerWaalsContact CG-CD 3.44Å
655T86.4Confident85.8Confident41 Ų4141.6 Ų41.625%0.25223%0.227SC..Hα-helixtrans-61.5-44.1174.8-55.70000111H651 V653 N658 V659H651-T655 WeakPolarHBondContact O-CB 3.44Å; H651-T655 PolarHBondContact O-N 2.81Å; H651-T655 PolarHBondContact O-OG1 2.94Å; V653-T655 VanDerWaalsContact C-N 3.33Å; V653-T655 PolarHBondContact O-N 2.94Å; T655-N658 PolarHBondContact O-N 3.09Å; T655-V659 PolarHBondContact O-N 3.35Å
656A84.3Confident85.6Confident3 Ų342 Ų423%0.02523%0.229CC..Hα-helixtrans-67.9-39176.400000113.3H652 V653 W654 N658 V659 D660 L665H652-A656 WeakPolarHBondContact O-CB 3.4Å; H652-A656 PolarHBondContact O-N 3.4Å; V653-A656 PolarHBondContact O-N 2.79Å; W654-A656 VanDerWaalsContact C-N 3.35Å; W654-A656 PolarHBondContact O-N 3.43Å; A656-N658 VanDerWaalsContact C-N 3.35Å; A656-V659 PolarHBondContact O-N 2.92Å; A656-D660 PolarHBondContact O-N 2.98Å; A656-D660 VanDerWaalsContact O-N 3.15Å; A656-L665 HydrophobicContact CB-CD2 4.21Å; A656-L665 HydrophobicContact CB-CG 4.24Å
657E84.3Confident85.5Confident89 Ų8944.2 Ų44.242%0.41624%0.243SC..Hα-helixtrans-63.4-38.4176.6-79.9-179.6176.200112V653 W654 V659 P661 S666V653-E657 HydrophobicContact CG1-CG 4.16Å; V653-E657 WeakPolarHBondContact O-CB 3.39Å; V653-E657 WeakPolarHBondContact O-CG 3.38Å; V653-E657 PolarHBondContact O-N 2.84Å; W654-E657 PolarHBondContact O-N 3.38Å; E657-V659 VanDerWaalsContact C-N 3.27Å; E657-V659 PolarHBondContact O-N 3.34Å; E657-P661 VanDerWaalsContact O-CD 3.24Å; E657-P661 WeakPolarHBondContact O-CD 3.39Å; E657-P661 WeakPolarHBondContact O-CG 3.27Å; E657-S666 WeakPolarHBondContact CG-OG 3.26Å
658N81.5Confident85.4Confident99 Ų9943.2 Ų43.253%0.52924%0.237SC..Hα-helixtrans-65.1-29.7176.7-76.5-28.3000113.3W654 T655 A656W654-N658 VanDerWaalsContact CD2-ND2 3.29Å; W654-N658 VanDerWaalsContact CE3-ND2 3.33Å; W654-N658 WeakPolarHBondContact CH2-ND2 3.48Å; W654-N658 WeakPolarHBondContact CZ2-ND2 3.45Å; W654-N658 VanDerWaalsContact CZ3-ND2 3.28Å; W654-N658 WeakPolarHBondContact CZ3-ND2 3.48Å; W654-N658 VanDerWaalsContact O-CG 3.3Å; W654-N658 PolarHBondContact O-N 3.49Å; W654-N658 PolarHBondContact O-ND2 3.48Å; T655-N658 PolarHBondContact O-N 3.09Å; A656-N658 VanDerWaalsContact C-N 3.35Å
659V76.9Confident85.5Confident105 Ų10541 Ų4164%0.63623%0.227SC*.Hα-helixtrans-77.8-53.6177.81770000110.6T655 A656 E657T655-V659 PolarHBondContact O-N 3.35Å; A656-V659 PolarHBondContact O-N 2.92Å; E657-V659 VanDerWaalsContact C-N 3.27Å; E657-V659 PolarHBondContact O-N 3.34Å
660D74.6Confident85.5Confident49 Ų4942 Ų4226%0.26224%0.238SC..  trans-159.7112.6172.7-177.5-5000109.6A656 A662 S663A656-D660 PolarHBondContact O-N 2.98Å; A656-D660 VanDerWaalsContact O-N 3.15Å; D660-A662 PolarHBondContact O-N 3Å; D660-A662 VanDerWaalsContact O-N 3.15Å; D660-A662 PolarHBondContact OD1-N 3.47Å; D660-S663 WeakPolarHBondContact O-CB 3.12Å; D660-S663 PolarHBondContact O-N 3.09Å; D660-S663 PolarHBondContact O-OG 3.41Å
661P72.4Confident85.6Confident95 Ų9545.4 Ų45.462%0.61726%0.256SS*.THydrogen-bonded Turntrans-58.7-29-179.1-24.832.9000113.7E657 S666E657-P661 VanDerWaalsContact O-CD 3.24Å; E657-P661 WeakPolarHBondContact O-CD 3.39Å; E657-P661 WeakPolarHBondContact O-CG 3.27Å; P661-S666 PolarHBondContact O-OG 2.95Å; P661-S666 VanDerWaalsContact O-OG 3.12Å
662A74.8Confident85.7Confident66 Ų6641.1 Ų41.155%0.54524%0.236SC..THydrogen-bonded Turntrans-937.2-18000000113.1D660D660-A662 PolarHBondContact O-N 3Å; D660-A662 VanDerWaalsContact O-N 3.15Å; D660-A662 PolarHBondContact OD1-N 3.47Å
663S82.9Confident86Confident11 Ų1140.8 Ų40.88%0.07723%0.234CC..SBendtrans-64.1156.1178.164.10000112.5D660 L665 S666 T667D660-S663 WeakPolarHBondContact O-CB 3.12Å; D660-S663 PolarHBondContact O-N 3.09Å; D660-S663 PolarHBondContact O-OG 3.41Å; S663-L665 VanDerWaalsContact C-N 3.33Å; S663-L665 PolarHBondContact O-N 2.9Å; S663-S666 WeakPolarHBondContact OG-CB 3.46Å; S663-S666 PolarHBondContact OG-N 3.24Å; S663-T667 PolarHBondContact O-N 3.28Å; S663-T667 VanDerWaalsContact O-N 3.14Å; S663-T667 PolarHBondContact O-OG1 3.19Å
664F87.8Confident86.1Confident5 Ų543.7 Ų43.72%0.02225%0.252CS..Hα-helixtrans-54.8-50.3172165.6-103.1000111M616 N617 F620 S666 T667 T668M616-F664 HydrophobicContact CB-CB 3.81Å; M616-F664 HydrophobicContact CB-CD1 4.1Å; M616-F664 HydrophobicContact CB-CD2 4Å; M616-F664 HydrophobicContact CB-CG 3.67Å; M616-F664 HydrophobicContact CE-CD1 3.85Å; M616-F664 HydrophobicContact CE-CE1 4.4Å; M616-F664 HydrophobicContact CE-CG 4.49Å; M616-F664 HydrophobicContact CG-CB 4.43Å; N617-F664 HydrophobicContact CB-CD2 4.44Å; N617-F664 HydrophobicContact CB-CE2 4.42Å; N617-F664 WeakPolarHBondContact OD1-CD2 3.46Å; N617-F664 WeakPolarHBondContact OD1-CE2 3.39Å; F620-F664 HydrophobicContact CB-CE1 3.69Å; F620-F664 HydrophobicContact CB-CE2 4.42Å; F620-F664 HydrophobicContact CB-CZ 3.43Å; F620-F664 VanDerWaalsContact CB-CZ 3.43Å; F620-F664 HydrophobicContact CD2-CE1 4.13Å; F620-F664 HydrophobicContact CG-CE1 4.18Å; F620-F664 HydrophobicContact CG-CZ 4.38Å; F664-S666 PolarHBondContact O-N 3.37Å; F664-T667 PolarHBondContact O-N 2.69Å; F664-T668 VanDerWaalsContact CE2-OG1 3.25Å; F664-T668 WeakPolarHBondContact CE2-OG1 3.4Å; F664-T668 PolarHBondContact O-N 2.87Å; F664-T668 PolarHBondContact O-OG1 2.76Å
665L87.6Confident86.5Confident7 Ų740 Ų404%0.03724%0.243CC..Hα-helixtrans-63-45.6-175.7-171.666.2000112E553 C556 A656 S663 T667 T668 L669E553-L665 HydrophobicContact CB-CD2 4.04Å; E553-L665 HydrophobicContact CG-CD2 3.75Å; C556-L665 HydrophobicContact CB-CD1 4.29Å; A656-L665 HydrophobicContact CB-CD2 4.21Å; A656-L665 HydrophobicContact CB-CG 4.24Å; S663-L665 VanDerWaalsContact C-N 3.33Å; S663-L665 PolarHBondContact O-N 2.9Å; L665-T667 VanDerWaalsContact C-N 3.35Å; L665-T667 PolarHBondContact O-N 3.43Å; L665-T668 PolarHBondContact O-N 3.05Å; L665-L669 HydrophobicContact CD1-CD1 3.8Å; L665-L669 HydrophobicContact CD1-CD2 4.41Å; L665-L669 HydrophobicContact CD1-CG 3.87Å; L665-L669 HydrophobicContact CD2-CD1 4.39Å; L665-L669 HydrophobicContact CG-CD1 3.76Å; L665-L669 HydrophobicContact CG-CG 4.15Å; L665-L669 WeakPolarHBondContact O-CB 3.08Å; L665-L669 VanDerWaalsContact O-CG 3.31Å; L665-L669 WeakPolarHBondContact O-CG 3.48Å; L665-L669 PolarHBondContact O-N 3Å
666S88.4Confident86.8Confident7 Ų738 Ų385%0.04923%0.231CC..Hα-helixtrans-55.5-48.7174.6171.30000111.6E657 P661 S663 F664 G670E657-S666 WeakPolarHBondContact CG-OG 3.26Å; P661-S666 PolarHBondContact O-OG 2.95Å; P661-S666 VanDerWaalsContact O-OG 3.12Å; S663-S666 WeakPolarHBondContact OG-CB 3.46Å; S663-S666 PolarHBondContact OG-N 3.24Å; F664-S666 PolarHBondContact O-N 3.37Å; S666-G670 WeakPolarHBondContact O-CA 3.36Å; S666-G670 PolarHBondContact O-N 2.95Å
667T90Very high87.3Confident48 Ų4841.2 Ų41.229%0.29424%0.244SC..Hα-helixtrans-63.8-47.4-179.5-53.30000111.8S663 F664 L665 G670 N671S663-T667 PolarHBondContact O-N 3.28Å; S663-T667 VanDerWaalsContact O-N 3.14Å; S663-T667 PolarHBondContact O-OG1 3.19Å; F664-T667 PolarHBondContact O-N 2.69Å; L665-T667 VanDerWaalsContact C-N 3.35Å; L665-T667 PolarHBondContact O-N 3.43Å; T667-G670 PolarHBondContact O-N 3.48Å; T667-N671 VanDerWaalsContact O-CG 3.27Å; T667-N671 PolarHBondContact O-N 2.94Å
668T90.8Very high87.7Confident4 Ų444.5 Ų44.53%0.02525%0.253CS..Hα-helixtrans-67.5-47.8-177.5-64.20000111.9I623 E624 F664 L665 G670 N671 V672I623-T668 HydrophobicContact CG2-CG2 4.27Å; E624-T668 HydrophobicContact CB-CG2 4.06Å; F664-T668 VanDerWaalsContact CE2-OG1 3.25Å; F664-T668 WeakPolarHBondContact CE2-OG1 3.4Å; F664-T668 PolarHBondContact O-N 2.87Å; F664-T668 PolarHBondContact O-OG1 2.76Å; L665-T668 PolarHBondContact O-N 3.05Å; T668-G670 VanDerWaalsContact C-N 3.31Å; T668-G670 PolarHBondContact O-N 2.93Å; T668-N671 PolarHBondContact O-N 3.49Å; T668-V672 WeakPolarHBondContact O-CG2 3.4Å; T668-V672 PolarHBondContact O-N 2.82Å; T668-V672 VanDerWaalsContact O-N 3.14Å
669L92.1Very high88.2Confident5 Ų541 Ų413%0.02623%0.233CC..Hα-helixtrans-66.2-36.2177.2-64.3-178.1000111.2L627 M649 H652 V653 L665 V672 L673L627-L669 HydrophobicContact CD1-CD2 4.07Å; M649-L669 HydrophobicContact SD-CB 4.2Å; M649-L669 HydrophobicContact SD-CD2 3.92Å; H652-L669 HydrophobicContact CB-CD1 4.13Å; V653-L669 VanDerWaalsContact CG2-C 3.46Å; V653-L669 HydrophobicContact CG2-CB 3.48Å; V653-L669 VanDerWaalsContact CG2-CB 3.48Å; L665-L669 HydrophobicContact CD1-CD1 3.8Å; L665-L669 HydrophobicContact CD1-CD2 4.41Å; L665-L669 HydrophobicContact CD1-CG 3.87Å; L665-L669 HydrophobicContact CD2-CD1 4.39Å; L665-L669 HydrophobicContact CG-CD1 3.76Å; L665-L669 HydrophobicContact CG-CG 4.15Å; L665-L669 WeakPolarHBondContact O-CB 3.08Å; L665-L669 VanDerWaalsContact O-CG 3.31Å; L665-L669 WeakPolarHBondContact O-CG 3.48Å; L665-L669 PolarHBondContact O-N 3Å; L669-V672 PolarHBondContact O-N 3.44Å; L669-L673 WeakPolarHBondContact O-CB 3.14Å; L669-L673 PolarHBondContact O-N 2.86Å
670G91.4Very high89Confident21 Ų2136 Ų3622%0.21620%0.203CC..Hα-helixtrans-59.3-44.9173.500000112.7S666 T667 T668 V672 L673 V674S666-G670 WeakPolarHBondContact O-CA 3.36Å; S666-G670 PolarHBondContact O-N 2.95Å; T667-G670 PolarHBondContact O-N 3.48Å; T668-G670 VanDerWaalsContact C-N 3.31Å; T668-G670 PolarHBondContact O-N 2.93Å; G670-V672 PolarHBondContact O-N 3.36Å; G670-L673 WeakPolarHBondContact O-CB 3.16Å; G670-L673 PolarHBondContact O-N 2.98Å; G670-V674 WeakPolarHBondContact O-CG2 3.47Å; G670-V674 PolarHBondContact O-N 3.33Å
671N93.1Very high89.9Confident77 Ų7736.5 Ų36.541%0.41221%0.206SC..Hα-helixtrans-59.8-45.7174.6-71.5-16.4000111.8T667 T668 V674T667-N671 VanDerWaalsContact O-CG 3.27Å; T667-N671 PolarHBondContact O-N 2.94Å; T668-N671 PolarHBondContact O-N 3.49Å; N671-V674 WeakPolarHBondContact O-CB 3.34Å; N671-V674 PolarHBondContact O-N 3.19Å
672V93.9Very high90.9Very high0 Ų037.9 Ų37.90%020%0.202CC..Hα-helixtrans-65-39.4178.2176.30000111.3E624 L627 I631 M649 T668 L669 G670 V674 T675 V676E624-V672 HydrophobicContact CG-CG2 3.96Å; L627-V672 HydrophobicContact CB-CG1 4.09Å; L627-V672 HydrophobicContact CB-CG2 4.13Å; L627-V672 HydrophobicContact CD1-CG1 4.47Å; L627-V672 HydrophobicContact CD1-CG2 4.06Å; I631-V672 HydrophobicContact CD1-CG1 3.24Å; M649-V672 HydrophobicContact CE-CB 4.46Å; M649-V672 HydrophobicContact CE-CG1 3.65Å; M649-V672 HydrophobicContact SD-CG1 4.3Å; T668-V672 WeakPolarHBondContact O-CG2 3.4Å; T668-V672 PolarHBondContact O-N 2.82Å; T668-V672 VanDerWaalsContact O-N 3.14Å; L669-V672 PolarHBondContact O-N 3.44Å; G670-V672 PolarHBondContact O-N 3.36Å; V672-V674 PolarHBondContact O-N 3.39Å; V672-T675 WeakPolarHBondContact O-CA 3.48Å; V672-T675 WeakPolarHBondContact O-CB 3.3Å; V672-T675 PolarHBondContact O-N 2.95Å; V672-V676 HydrophobicContact CG1-CG2 4.49Å; V672-V676 PolarHBondContact O-N 3.16Å
673L93.9Very high91.8Very high3 Ų335 Ų352%0.01618%0.178CC..Hα-helixtrans-59.3-35.1177179.857.3000112.1L646 M649 S650 V653 L669 G670 T675 V676 K677 R727L646-L673 HydrophobicContact CD1-CD1 3.89Å; M649-L673 HydrophobicContact CB-CD1 4.01Å; M649-L673 HydrophobicContact CG-CB 3.82Å; M649-L673 HydrophobicContact CG-CD1 3.85Å; M649-L673 HydrophobicContact CG-CG 4.37Å; S650-L673 WeakPolarHBondContact OG-CD1 3.22Å; V653-L673 HydrophobicContact CB-CD2 4.13Å; V653-L673 HydrophobicContact CG1-CD2 4.27Å; V653-L673 HydrophobicContact CG2-CB 4.2Å; V653-L673 HydrophobicContact CG2-CD2 3.91Å; L669-L673 WeakPolarHBondContact O-CB 3.14Å; L669-L673 PolarHBondContact O-N 2.86Å; G670-L673 WeakPolarHBondContact O-CB 3.16Å; G670-L673 PolarHBondContact O-N 2.98Å; L673-T675 VanDerWaalsContact C-N 3.32Å; L673-T675 PolarHBondContact O-N 2.85Å; L673-V676 PolarHBondContact O-N 2.95Å; L673-K677 WeakPolarHBondContact O-CB 3.49Å; L673-K677 PolarHBondContact O-N 3.46Å; L673-R727 VanDerWaalsContact CD2-NH2 3.3Å
674V94.4Very high92.2Very high66 Ų6634.8 Ų34.840%0.418%0.176SC..Hα-helixtrans-62-40.8173.4-179.60000111G670 N671 V672 K677 R678G670-V674 WeakPolarHBondContact O-CG2 3.47Å; G670-V674 PolarHBondContact O-N 3.33Å; N671-V674 WeakPolarHBondContact O-CB 3.34Å; N671-V674 PolarHBondContact O-N 3.19Å; V672-V674 PolarHBondContact O-N 3.39Å; V674-K677 PolarHBondContact O-N 3.24Å; V674-R678 WeakPolarHBondContact O-CG 3.19Å; V674-R678 PolarHBondContact O-N 3.48Å
675T93.9Very high92.5Very high39 Ų3938 Ų3824%0.23920%0.199CC..Hα-helixtrans-64.7-45.1175.1-56.40000111.5N628 V672 L673 K677 R678 N679N628-T675 WeakPolarHBondContact OD1-CB 3.28Å; N628-T675 WeakPolarHBondContact OD1-CG2 3.04Å; N628-T675 PolarHBondContact OD1-OG1 3.35Å; V672-T675 WeakPolarHBondContact O-CA 3.48Å; V672-T675 WeakPolarHBondContact O-CB 3.3Å; V672-T675 PolarHBondContact O-N 2.95Å; L673-T675 VanDerWaalsContact C-N 3.32Å; L673-T675 PolarHBondContact O-N 2.85Å; T675-K677 VanDerWaalsContact C-N 3.31Å; T675-K677 PolarHBondContact O-N 3.07Å; T675-R678 WeakPolarHBondContact O-CB 3.29Å; T675-R678 PolarHBondContact O-N 2.88Å; T675-N679 PolarHBondContact O-N 2.95Å
676V94.3Very high92.6Very high0 Ų039 Ų390%021%0.211CC..Hα-helixtrans-58.1-44.7175.7175.10000111.1I631 M645 L646 V672 L673 R678 N679 F680I631-V676 HydrophobicContact CD1-CG2 3.5Å; I631-V676 HydrophobicContact CG1-CG2 4.07Å; I631-V676 HydrophobicContact CG2-CG2 4.23Å; M645-V676 HydrophobicContact CB-CG1 3.64Å; M645-V676 HydrophobicContact CB-CG2 4.36Å; L646-V676 HydrophobicContact CB-CG1 4.01Å; L646-V676 HydrophobicContact CD1-CG1 4.3Å; V672-V676 HydrophobicContact CG1-CG2 4.49Å; V672-V676 PolarHBondContact O-N 3.16Å; L673-V676 PolarHBondContact O-N 2.95Å; V676-R678 VanDerWaalsContact C-N 3.34Å; V676-R678 PolarHBondContact O-N 3.38Å; V676-N679 WeakPolarHBondContact O-CB 3.45Å; V676-N679 PolarHBondContact O-N 2.95Å; V676-N679 VanDerWaalsContact O-N 3.1Å; V676-F680 PolarHBondContact O-N 3.49Å
677K93.4Very high92.6Very high70 Ų7039.2 Ų39.230%0.30421%0.211SC..Hα-helixtrans-62.4-39.3177.7-168.9-121.3175.1-1700112.3L646 L673 V674 T675 N679 F680 D681L646-K677 HydrophobicContact CD1-CB 4.25Å; L673-K677 WeakPolarHBondContact O-CB 3.49Å; L673-K677 PolarHBondContact O-N 3.46Å; V674-K677 PolarHBondContact O-N 3.24Å; T675-K677 VanDerWaalsContact C-N 3.31Å; T675-K677 PolarHBondContact O-N 3.07Å; K677-N679 VanDerWaalsContact C-N 3.33Å; K677-N679 PolarHBondContact O-N 2.93Å; K677-F680 PolarHBondContact O-N 3.41Å; K677-D681 WeakPolarHBondContact CE-OD2 3.36Å; K677-D681 IonicContact NZ-OD2 3.66Å; K677-D681 PolarHBondContact NZ-OD2 2.92Å; K677-D681 PolarHBondContact O-N 3.37Å
678R94.1Very high92.6Very high158 Ų15838.4 Ų38.460%0.59620%0.204SC*.Hα-helixtrans-62.4-39.3172.5-72.1177-177.2124.9-0.1112V674 T675 V676 D681 K682V674-R678 WeakPolarHBondContact O-CG 3.19Å; V674-R678 PolarHBondContact O-N 3.48Å; T675-R678 WeakPolarHBondContact O-CB 3.29Å; T675-R678 PolarHBondContact O-N 2.88Å; V676-R678 VanDerWaalsContact C-N 3.34Å; V676-R678 PolarHBondContact O-N 3.38Å; R678-D681 PolarHBondContact O-N 3.26Å; R678-K682 VanDerWaalsContact O-CB 3.28Å; R678-K682 WeakPolarHBondContact O-CB 3.34Å; R678-K682 PolarHBondContact O-N 2.85Å
679N91.8Very high92.5Very high24 Ų2444 Ų4413%0.12823%0.228CC..Hα-helixtrans-67.3-39175.8-72.6-0.6000111.9I631 T675 V676 K677 K682 C683I631-N679 VanDerWaalsContact CG2-ND2 3.32Å; I631-N679 WeakPolarHBondContact CG2-ND2 3.34Å; T675-N679 PolarHBondContact O-N 2.95Å; V676-N679 WeakPolarHBondContact O-CB 3.45Å; V676-N679 PolarHBondContact O-N 2.95Å; V676-N679 VanDerWaalsContact O-N 3.1Å; K677-N679 VanDerWaalsContact C-N 3.33Å; K677-N679 PolarHBondContact O-N 2.93Å; N679-K682 WeakPolarHBondContact O-CB 3.42Å; N679-K682 PolarHBondContact O-N 3.42Å; N679-C683 WeakPolarHBondContact O-CB 3.36Å; N679-C683 PolarHBondContact O-N 3.41Å
680F94.2Very high92.2Very high1 Ų148.2 Ų48.20%0.00425%0.248CC..Hα-helixtrans-59.9-52171.4171.5-98.5000111.4L643 L646 V676 K677 K682 C683 I684 L731 A734L643-F680 HydrophobicContact CD2-CD2 4.04Å; L643-F680 HydrophobicContact CD2-CE2 3.59Å; L646-F680 HydrophobicContact CD2-CB 4.17Å; L646-F680 HydrophobicContact CD2-CD1 3.99Å; L646-F680 HydrophobicContact CD2-CD2 4.07Å; L646-F680 HydrophobicContact CD2-CE1 4.41Å; L646-F680 HydrophobicContact CD2-CE2 4.49Å; L646-F680 HydrophobicContact CD2-CG 3.8Å; V676-F680 PolarHBondContact O-N 3.49Å; K677-F680 PolarHBondContact O-N 3.41Å; F680-K682 PolarHBondContact O-N 3.47Å; F680-C683 WeakPolarHBondContact O-CB 3.29Å; F680-C683 PolarHBondContact O-N 3.29Å; F680-I684 HydrophobicContact CD1-CG1 4.41Å; F680-I684 HydrophobicContact CD2-CG1 4.4Å; F680-I684 HydrophobicContact CE1-CG1 4.01Å; F680-I684 HydrophobicContact CE2-CD1 3.88Å; F680-I684 HydrophobicContact CE2-CG1 3.98Å; F680-I684 HydrophobicContact CZ-CD1 3.93Å; F680-I684 HydrophobicContact CZ-CG1 3.78Å; F680-I684 WeakPolarHBondContact O-CG1 3.41Å; F680-I684 PolarHBondContact O-N 3.42Å; F680-L731 HydrophobicContact CZ-CD1 4.36Å; F680-A734 HydrophobicContact CE1-CB 4.08Å; F680-A734 HydrophobicContact CZ-CB 3.77Å
681D93.5Very high91.9Very high60 Ų6047.5 Ų47.532%0.32124%0.239SC..Hα-helixtrans-57.2-37.6177.5-74.7-31.3000111.6K677 R678 S685K677-D681 WeakPolarHBondContact CE-OD2 3.36Å; K677-D681 IonicContact NZ-OD2 3.66Å; K677-D681 PolarHBondContact NZ-OD2 2.92Å; K677-D681 PolarHBondContact O-N 3.37Å; R678-D681 PolarHBondContact O-N 3.26Å; D681-S685 WeakPolarHBondContact O-CB 3.49Å; D681-S685 PolarHBondContact O-N 3.13Å; D681-S685 PolarHBondContact O-OG 3.5Å
682K93.4Very high91.5Very high124 Ų12448.8 Ų48.854%0.53924%0.243SC..Hα-helixtrans-68.1-40.4174.7-179.9-170.5166.9-152.20112.3D635 R678 N679 F680 S685 G686D635-K682 IonicContact OD2-NZ 3.63Å; D635-K682 PolarHBondContact OD2-NZ 3.31Å; R678-K682 VanDerWaalsContact O-CB 3.28Å; R678-K682 WeakPolarHBondContact O-CB 3.34Å; R678-K682 PolarHBondContact O-N 2.85Å; N679-K682 WeakPolarHBondContact O-CB 3.42Å; N679-K682 PolarHBondContact O-N 3.42Å; F680-K682 PolarHBondContact O-N 3.47Å; K682-S685 PolarHBondContact O-N 3.34Å; K682-G686 PolarHBondContact O-N 3.46Å
683C92.2Very high91Very high6 Ų654.5 Ų54.54%0.04127%0.269CS..Hα-helixtrans-60.3-49.9174.5177.30000110.6S639 S642 N679 F680 S685 G686 Q687S639-C683 PolarHBondContact O-SG 2.64Å; S642-C683 WeakPolarHBondContact OG-CB 3.29Å; N679-C683 WeakPolarHBondContact O-CB 3.36Å; N679-C683 PolarHBondContact O-N 3.41Å; F680-C683 WeakPolarHBondContact O-CB 3.29Å; F680-C683 PolarHBondContact O-N 3.29Å; C683-S685 PolarHBondContact O-N 3.01Å; C683-G686 WeakPolarHBondContact O-CA 3.29Å; C683-G686 PolarHBondContact O-N 2.82Å; C683-G686 VanDerWaalsContact O-N 3.13Å; C683-Q687 WeakPolarHBondContact O-CG 3.46Å; C683-Q687 PolarHBondContact O-N 3.43Å
684I92.9Very high90.2Very high6 Ų656.3 Ų56.33%0.03128%0.281CS..Hα-helixtrans-60.5-45.8178-57.9-58.6000111.3F680 G686 Q687 I688 F714 A734 L738F680-I684 HydrophobicContact CD1-CG1 4.41Å; F680-I684 HydrophobicContact CD2-CG1 4.4Å; F680-I684 HydrophobicContact CE1-CG1 4.01Å; F680-I684 HydrophobicContact CE2-CD1 3.88Å; F680-I684 HydrophobicContact CE2-CG1 3.98Å; F680-I684 HydrophobicContact CZ-CD1 3.93Å; F680-I684 HydrophobicContact CZ-CG1 3.78Å; F680-I684 WeakPolarHBondContact O-CG1 3.41Å; F680-I684 PolarHBondContact O-N 3.42Å; I684-G686 VanDerWaalsContact C-N 3.28Å; I684-G686 PolarHBondContact O-N 2.92Å; I684-Q687 PolarHBondContact O-N 3.24Å; I684-I688 HydrophobicContact CG2-CD1 4.32Å; I684-I688 WeakPolarHBondContact O-CG1 3.3Å; I684-I688 PolarHBondContact O-N 2.86Å; I684-F714 HydrophobicContact CD1-CE1 4.47Å; I684-F714 HydrophobicContact CD1-CE2 4.16Å; I684-F714 HydrophobicContact CD1-CZ 3.61Å; I684-A734 HydrophobicContact CD1-CB 3.93Å; I684-A734 HydrophobicContact CG1-CB 3.85Å; I684-A734 HydrophobicContact CG2-CB 4.04Å; I684-L738 HydrophobicContact CD1-CD1 4.03Å; I684-L738 HydrophobicContact CG2-CD1 4.24Å; I684-L738 HydrophobicContact CG2-CD2 4.2Å; I684-L738 HydrophobicContact CG2-CG 3.97Å
685S92.3Very high89.2Confident73 Ų7362.2 Ų62.251%0.5130%0.301SS..Hα-helixtrans-63.5-36.4176.8-56.10000112D681 K682 C683 I688 K689D681-S685 WeakPolarHBondContact O-CB 3.49Å; D681-S685 PolarHBondContact O-N 3.13Å; D681-S685 PolarHBondContact O-OG 3.5Å; K682-S685 PolarHBondContact O-N 3.34Å; C683-S685 PolarHBondContact O-N 3.01Å; S685-I688 PolarHBondContact O-N 2.86Å; S685-K689 WeakPolarHBondContact O-CB 3.39Å; S685-K689 PolarHBondContact O-N 2.89Å
686G89.9Confident88.1Confident26 Ų2662.7 Ų62.727%0.26830%0.301SS..Hα-helixtrans-63.4-42.917400000112.4K682 C683 I684 K689 Q690K682-G686 PolarHBondContact O-N 3.46Å; C683-G686 WeakPolarHBondContact O-CA 3.29Å; C683-G686 PolarHBondContact O-N 2.82Å; C683-G686 VanDerWaalsContact O-N 3.13Å; I684-G686 VanDerWaalsContact C-N 3.28Å; I684-G686 PolarHBondContact O-N 2.92Å; G686-K689 PolarHBondContact O-N 3.47Å; G686-Q690 VanDerWaalsContact O-CG 3.3Å; G686-Q690 WeakPolarHBondContact O-CG 3.27Å; G686-Q690 PolarHBondContact O-N 3.1Å
687Q88.8Confident86.7Confident12 Ų1266 Ų666%0.05633%0.325CS..Hα-helixtrans-60.4-49.8174-69.9-59.5-39.700111.1F640 C683 I684 K689 Q690 M691 L738F640-Q687 HydrophobicContact CE1-CG 4.41Å; F640-Q687 HydrophobicContact CZ-CG 4.46Å; F640-Q687 VanDerWaalsContact CZ-NE2 3.26Å; C683-Q687 WeakPolarHBondContact O-CG 3.46Å; C683-Q687 PolarHBondContact O-N 3.43Å; I684-Q687 PolarHBondContact O-N 3.24Å; Q687-K689 VanDerWaalsContact C-N 3.31Å; Q687-K689 PolarHBondContact O-N 3.18Å; Q687-Q690 WeakPolarHBondContact O-CB 3.31Å; Q687-Q690 PolarHBondContact O-N 2.93Å; Q687-Q690 VanDerWaalsContact O-N 3.15Å; Q687-M691 HydrophobicContact CB-CE 4.5Å; Q687-M691 VanDerWaalsContact O-CG 3.25Å; Q687-M691 WeakPolarHBondContact O-CG 3.32Å; Q687-M691 PolarHBondContact O-N 2.84Å; Q687-L738 HydrophobicContact CB-CD2 3.99Å
688I90.6Very high85.4Confident31 Ų3170 Ų7016%0.15934%0.342CS..Hα-helixtrans-56.2-46.5177.4-66.5170.6000111.2I684 S685 Q690 M691 E692 K737 L738 A741I684-I688 HydrophobicContact CG2-CD1 4.32Å; I684-I688 WeakPolarHBondContact O-CG1 3.3Å; I684-I688 PolarHBondContact O-N 2.86Å; S685-I688 PolarHBondContact O-N 2.86Å; I688-Q690 PolarHBondContact O-N 3.2Å; I688-M691 WeakPolarHBondContact O-CB 3.39Å; I688-M691 PolarHBondContact O-N 2.94Å; I688-M691 VanDerWaalsContact O-N 3.1Å; I688-E692 PolarHBondContact O-N 2.94Å; I688-E692 VanDerWaalsContact O-N 3.07Å; I688-K737 HydrophobicContact CD1-CB 4.17Å; I688-L738 HydrophobicContact CD1-CD2 4.47Å; I688-L738 HydrophobicContact CG1-CD2 3.77Å; I688-A741 HydrophobicContact CB-CB 4.44Å; I688-A741 HydrophobicContact CG1-CB 4.05Å; I688-A741 HydrophobicContact CG2-CB 3.84Å
689K89.3Confident83.6Confident122 Ų12271 Ų7153%0.5335%0.351SS..Hα-helixtrans-62.8-41.2178.9-167.5-176.3-177.5-159.10112.3S685 G686 Q687 M691 E692 E693S685-K689 WeakPolarHBondContact O-CB 3.39Å; S685-K689 PolarHBondContact O-N 2.89Å; G686-K689 PolarHBondContact O-N 3.47Å; Q687-K689 VanDerWaalsContact C-N 3.31Å; Q687-K689 PolarHBondContact O-N 3.18Å; K689-M691 PolarHBondContact O-N 2.8Å; K689-E692 PolarHBondContact O-N 3.03Å; K689-E693 WeakPolarHBondContact CE-OE1 3.42Å; K689-E693 IonicContact NZ-OE1 2.74Å; K689-E693 WeakPolarHBondContact O-CG 3.32Å; K689-E693 PolarHBondContact O-N 3.34Å; K689-E693 VanDerWaalsContact O-N 3.11Å
690Q85.4Confident82.4Confident94 Ų9472.4 Ų72.444%0.43936%0.362SS..Hα-helixtrans-61.6-35174.6-73.7175.424.800111.7G686 Q687 I688 V694G686-Q690 VanDerWaalsContact O-CG 3.3Å; G686-Q690 WeakPolarHBondContact O-CG 3.27Å; G686-Q690 PolarHBondContact O-N 3.1Å; Q687-Q690 WeakPolarHBondContact O-CB 3.31Å; Q687-Q690 PolarHBondContact O-N 2.93Å; Q687-Q690 VanDerWaalsContact O-N 3.15Å; I688-Q690 PolarHBondContact O-N 3.2Å; Q690-V694 WeakPolarHBondContact O-CG2 3.27Å
691M85.4Confident81.3Confident5 Ų576.3 Ų76.33%0.02538%0.379CS..Hα-helixtrans-66-42.2174.9-58.8172.4178.700111.6Q687 I688 K689 E693 V694 F707 L738 V742Q687-M691 HydrophobicContact CB-CE 4.5Å; Q687-M691 VanDerWaalsContact O-CG 3.25Å; Q687-M691 WeakPolarHBondContact O-CG 3.32Å; Q687-M691 PolarHBondContact O-N 2.84Å; I688-M691 WeakPolarHBondContact O-CB 3.39Å; I688-M691 PolarHBondContact O-N 2.94Å; I688-M691 VanDerWaalsContact O-N 3.1Å; K689-M691 PolarHBondContact O-N 2.8Å; M691-E693 VanDerWaalsContact C-N 3.33Å; M691-E693 PolarHBondContact O-N 2.68Å; M691-V694 PolarHBondContact O-N 2.84Å; M691-F707 HydrophobicContact CB-CB 4.3Å; M691-F707 HydrophobicContact CB-CG 4.48Å; M691-F707 HydrophobicContact CG-CB 3.87Å; M691-F707 HydrophobicContact CG-CG 4.46Å; M691-L738 HydrophobicContact CE-CD2 4.03Å; M691-V742 HydrophobicContact CE-CG2 4.13Å; M691-V742 HydrophobicContact SD-CG2 3.82Å
692E84.3Confident80.5Confident105 Ų10573.8 Ų73.849%0.49137%0.366SS..Hα-helixtrans-67.7-30180-69.2175.6174.500113.9I688 K689I688-E692 PolarHBondContact O-N 2.94Å; I688-E692 VanDerWaalsContact O-N 3.07Å; K689-E692 PolarHBondContact O-N 3.03Å
693E82.7Confident79.8Confident120 Ų12068.6 Ų68.656%0.56135%0.348SS*.Hα-helixtrans-82.1-12.5-178.8-72.3178.9-178.900113.5K689 M691 K695K689-E693 WeakPolarHBondContact CE-OE1 3.42Å; K689-E693 IonicContact NZ-OE1 2.74Å; K689-E693 WeakPolarHBondContact O-CG 3.32Å; K689-E693 PolarHBondContact O-N 3.34Å; K689-E693 VanDerWaalsContact O-N 3.11Å; M691-E693 VanDerWaalsContact C-N 3.33Å; M691-E693 PolarHBondContact O-N 2.68Å; E693-K695 PolarHBondContact O-N 3.2Å; E693-K695 VanDerWaalsContact O-N 3.11Å
694V78.5Confident79.4Confident41 Ų4169.7 Ų69.725%0.24835%0.353CS..  trans-64.2114.2177.7173.30000109.7Q690 M691 F707Q690-V694 WeakPolarHBondContact O-CG2 3.27Å; M691-V694 PolarHBondContact O-N 2.84Å; V694-F707 HydrophobicContact CB-CD1 4.36Å; V694-F707 HydrophobicContact CG1-CD1 4.35Å; V694-F707 HydrophobicContact CG2-CD1 4.38Å
695K72.6Confident79.1Confident189 Ų18969.5 Ų69.582%0.82235%0.352SS*.  trans-104.1134.4170.8-66.3-176.7-177.8177.50109.8E693E693-K695 PolarHBondContact O-N 3.2Å; E693-K695 VanDerWaalsContact O-N 3.11Å
696I70.6Confident78.8Confident50 Ų5069.2 Ų69.226%0.25635%0.348SS..  trans-95.4142.1179.4-51.7-163.6000110.4K698 V702 L705 V749I696-K698 PolarHBondContact O-N 3.48Å; I696-V702 HydrophobicContact CD1-CG1 3.87Å; I696-V702 HydrophobicContact CG2-CG1 4.46Å; I696-V702 HydrophobicContact CG2-CG2 3.74Å; I696-L705 HydrophobicContact CD1-CD2 3.23Å; I696-V749 HydrophobicContact CD1-CB 4.14Å; I696-V749 HydrophobicContact CD1-CG1 3.18Å; I696-V749 HydrophobicContact CD1-CG2 3.84Å; I696-V749 HydrophobicContact CG1-CG1 4.23Å; I696-V749 HydrophobicContact CG1-CG2 4.23Å
697S64.6Low78.7Confident70 Ų7068 Ų6849%0.4934%0.335SS..  trans-67122174.3177.50000110.2K699 S700S697-K699 PolarHBondContact O-N 3.19Å; S697-K699 PolarHBondContact OG-N 2.92Å; S697-S700 PolarHBondContact O-N 3.29Å; S697-S700 PolarHBondContact O-OG 2.93Å
698K65.6Low78.7Confident152 Ų15267.5 Ų67.566%0.66133%0.333SS*.THydrogen-bonded Turntrans-61-10.7176.3-61.8-174.8178-174.30114I696I696-K698 PolarHBondContact O-N 3.48Å
699K57.2Low78.6Confident181 Ų18168.1 Ų68.179%0.78734%0.339SS*.THydrogen-bonded Turntrans-102-18.7-174.8-64.7-174.4178.5-178.60114.2S697 K755S697-K699 PolarHBondContact O-N 3.19Å; S697-K699 PolarHBondContact OG-N 2.92Å; K699-K755 WeakPolarHBondContact O-CD 3.48Å; K699-K755 PolarHBondContact O-NZ 3.38Å
700S67.1Low78.4Confident53 Ų5366.1 Ų66.137%0.37133%0.328SS..SBendtrans-95.7156.6-178.158.20000111.9S697S697-S700 PolarHBondContact O-N 3.29Å; S697-S700 PolarHBondContact O-OG 2.93Å
701K70.8Confident78.6Confident82 Ų8261.9 Ų61.936%0.35731%0.308SS..  trans-62.1145164.3-179.2176.5177.8167.70108.2K867 H868 L869K701-K867 WeakPolarHBondContact CE-O 3.27Å; K701-K867 PolarHBondContact NZ-O 3.06Å; K701-H868 WeakPolarHBondContact CE-O 3.49Å; K701-L869 PolarHBondContact NZ-O 3.02Å
702V76.8Confident78.9Confident8 Ų863.4 Ų63.45%0.04832%0.315CS..  trans-109.6114178.7-173.30000106.5I696 L705 V749 T756 V761I696-V702 HydrophobicContact CD1-CG1 3.87Å; I696-V702 HydrophobicContact CG2-CG1 4.46Å; I696-V702 HydrophobicContact CG2-CG2 3.74Å; V702-L705 HydrophobicContact CG1-CD2 3.64Å; V702-V749 HydrophobicContact CG1-CG1 4.37Å; V702-T756 PolarHBondContact N-OG1 3.4Å; V702-T756 VanDerWaalsContact N-OG1 3.08Å; V702-V761 HydrophobicContact CB-CG2 4.07Å; V702-V761 HydrophobicContact CG1-CG1 4.07Å; V702-V761 HydrophobicContact CG1-CG2 4.21Å
703G78.5Confident79Confident15 Ų1563.8 Ų63.816%0.15532%0.317CS..  trans-104.7-140.7174.300000111.4L705 N765 C870G703-L705 PolarHBondContact O-N 2.94Å; G703-N765 PolarHBondContact O-ND2 2.99Å; G703-C870 WeakPolarHBondContact CA-SG 3.43Å
704I83.9Confident79.3Confident28 Ų2858.6 Ų58.614%0.14429%0.292CS..SBendtrans-60.9128.4171.5-54.4176.3000109V708 T709 H768 E872 E873I704-V708 HydrophobicContact CG2-CB 4.39Å; I704-T709 HydrophobicContact CG2-CG2 3.72Å; I704-H768 HydrophobicContact CD1-CB 4.38Å; I704-E872 HydrophobicContact CD1-CB 4.39Å; I704-E873 HydrophobicContact CD1-CG 4.02Å
705L86.7Confident79.9Confident3 Ų356.6 Ų56.62%0.01628%0.281CS..  trans-76.8135.6-174.7-63.4174.3000110.1I696 V702 G703 F707 V708 T709 V746 V749 N765I696-L705 HydrophobicContact CD1-CD2 3.23Å; V702-L705 HydrophobicContact CG1-CD2 3.64Å; G703-L705 PolarHBondContact O-N 2.94Å; L705-F707 HydrophobicContact CB-CD1 3.98Å; L705-F707 HydrophobicContact CB-CE1 3.64Å; L705-F707 HydrophobicContact CB-CE2 4.28Å; L705-F707 HydrophobicContact CB-CG 4.44Å; L705-F707 HydrophobicContact CB-CZ 3.81Å; L705-F707 HydrophobicContact CD1-CE1 3.66Å; L705-F707 HydrophobicContact CD1-CE2 4.22Å; L705-F707 HydrophobicContact CD1-CZ 3.33Å; L705-F707 HydrophobicContact CG-CE1 4.14Å; L705-F707 HydrophobicContact CG-CZ 4.17Å; L705-F707 PolarHBondContact O-N 2.93Å; L705-V708 HydrophobicContact CB-CG2 3.95Å; L705-V708 WeakPolarHBondContact O-CB 3.33Å; L705-V708 PolarHBondContact O-N 3.47Å; L705-T709 PolarHBondContact O-N 2.99Å; L705-V746 HydrophobicContact CD1-CB 4.4Å; L705-V746 HydrophobicContact CD1-CG1 4.4Å; L705-V746 HydrophobicContact CD1-CG2 4.06Å; L705-V749 HydrophobicContact CD1-CB 4.05Å; L705-V749 HydrophobicContact CD1-CG1 3.67Å; L705-V749 HydrophobicContact CD1-CG2 4.39Å; L705-V749 HydrophobicContact CD2-CG1 3.81Å; L705-V749 HydrophobicContact CG-CG1 4.39Å; L705-N765 WeakPolarHBondContact CB-OD1 3.31Å; L705-N765 VanDerWaalsContact CG-OD1 3.32Å; L705-N765 WeakPolarHBondContact CG-OD1 3.37Å; L705-N765 PolarHBondContact N-OD1 2.81Å
706P85.3Confident80.7Confident66 Ų6651.2 Ų51.243%0.42926%0.258SS..Hα-helixtrans-58.7-22.6-176.7-27.134.2000114.7T709 R710P706-T709 PolarHBondContact O-OG1 2.96Å; P706-T709 VanDerWaalsContact O-OG1 3.06Å; P706-R710 WeakPolarHBondContact O-CB 3.38Å; P706-R710 VanDerWaalsContact O-CG 3.26Å; P706-R710 WeakPolarHBondContact O-CG 3.36Å; P706-R710 PolarHBondContact O-N 3.25Å; P706-R710 PolarHBondContact O-NH1 3.22Å
707F87.7Confident81.4Confident0 Ų050.1 Ų50.10%025%0.253CS..Hα-helixtrans-80.2-20.6175.759.8-101.5000113.5M691 V694 L705 F711 V742 N745 V746 V749M691-F707 HydrophobicContact CB-CB 4.3Å; M691-F707 HydrophobicContact CB-CG 4.48Å; M691-F707 HydrophobicContact CG-CB 3.87Å; M691-F707 HydrophobicContact CG-CG 4.46Å; V694-F707 HydrophobicContact CB-CD1 4.36Å; V694-F707 HydrophobicContact CG1-CD1 4.35Å; V694-F707 HydrophobicContact CG2-CD1 4.38Å; L705-F707 HydrophobicContact CB-CD1 3.98Å; L705-F707 HydrophobicContact CB-CE1 3.64Å; L705-F707 HydrophobicContact CB-CE2 4.28Å; L705-F707 HydrophobicContact CB-CG 4.44Å; L705-F707 HydrophobicContact CB-CZ 3.81Å; L705-F707 HydrophobicContact CD1-CE1 3.66Å; L705-F707 HydrophobicContact CD1-CE2 4.22Å; L705-F707 HydrophobicContact CD1-CZ 3.33Å; L705-F707 HydrophobicContact CG-CE1 4.14Å; L705-F707 HydrophobicContact CG-CZ 4.17Å; L705-F707 PolarHBondContact O-N 2.93Å; F707-F711 WeakPolarHBondContact O-CB 3.42Å; F707-F711 PolarHBondContact O-N 3.1Å; F707-F711 VanDerWaalsContact O-N 3.08Å; F707-V742 HydrophobicContact CD2-CG1 4.33Å; F707-V742 HydrophobicContact CD2-CG2 4.5Å; F707-V742 HydrophobicContact CE2-CG1 4.18Å; F707-N745 HydrophobicContact CE2-CB 4.13Å; F707-N745 HydrophobicContact CZ-CB 3.9Å; F707-V746 HydrophobicContact CE2-CG2 3.68Å; F707-V746 HydrophobicContact CZ-CG2 3.95Å; F707-V749 HydrophobicContact CE1-CG2 4.36Å
708V89.6Confident82.6Confident2 Ų246.8 Ų46.81%0.01223%0.229CC..Hα-helixtrans-75.1-45.1174.9-175.70000109.4I704 L705 F711 E712 V742 V746 I769I704-V708 HydrophobicContact CG2-CB 4.39Å; L705-V708 HydrophobicContact CB-CG2 3.95Å; L705-V708 WeakPolarHBondContact O-CB 3.33Å; L705-V708 PolarHBondContact O-N 3.47Å; V708-F711 WeakPolarHBondContact O-CB 3.44Å; V708-F711 PolarHBondContact O-N 3.32Å; V708-F711 VanDerWaalsContact O-N 3.15Å; V708-E712 PolarHBondContact O-N 2.82Å; V708-V742 HydrophobicContact CG2-CG1 4.02Å; V708-V746 HydrophobicContact CG2-CG2 3.98Å; V708-I769 HydrophobicContact CG1-CD1 4.16Å; V708-I769 HydrophobicContact CG1-CG1 3.5Å; V708-I769 VanDerWaalsContact CG1-CG1 3.5Å; V708-I769 HydrophobicContact CG2-CD1 4.5Å
709T87.1Confident83.7Confident45 Ų4541.5 Ų41.528%0.27621%0.207SC..Hα-helixtrans-64-40.7173.858.20000111.8I704 L705 P706 F711 E712 E713I704-T709 HydrophobicContact CG2-CG2 3.72Å; L705-T709 PolarHBondContact O-N 2.99Å; P706-T709 PolarHBondContact O-OG1 2.96Å; P706-T709 VanDerWaalsContact O-OG1 3.06Å; T709-F711 VanDerWaalsContact C-N 3.28Å; T709-F711 PolarHBondContact O-N 2.88Å; T709-E712 WeakPolarHBondContact O-CB 3.39Å; T709-E712 PolarHBondContact O-N 2.76Å; T709-E712 VanDerWaalsContact O-N 3.11Å; T709-E713 PolarHBondContact O-N 2.86Å
710R85.9Confident85.2Confident79 Ų7938.1 Ų38.130%0.29820%0.202SC..Hα-helixtrans-62.1-33.1172.4-76.9-167.5-56.8-957.8113.5P706 F714P706-R710 WeakPolarHBondContact O-CB 3.38Å; P706-R710 VanDerWaalsContact O-CG 3.26Å; P706-R710 WeakPolarHBondContact O-CG 3.36Å; P706-R710 PolarHBondContact O-N 3.25Å; P706-R710 PolarHBondContact O-NH1 3.22Å; R710-F714 VanDerWaalsContact O-CB 3.3Å; R710-F714 WeakPolarHBondContact O-CB 3.42Å; R710-F714 PolarHBondContact O-N 3.21Å
711F90.4Very high86.1Confident5 Ų536.8 Ų36.82%0.02219%0.19CC..Hα-helixtrans-67-39.9173.5171.8-94.2000111.2F707 V708 T709 F714 A715 Y735 L738 I739 V742 L773 L781F707-F711 WeakPolarHBondContact O-CB 3.42Å; F707-F711 PolarHBondContact O-N 3.1Å; F707-F711 VanDerWaalsContact O-N 3.08Å; V708-F711 WeakPolarHBondContact O-CB 3.44Å; V708-F711 PolarHBondContact O-N 3.32Å; V708-F711 VanDerWaalsContact O-N 3.15Å; T709-F711 VanDerWaalsContact C-N 3.28Å; T709-F711 PolarHBondContact O-N 2.88Å; F711-F714 PolarHBondContact O-N 2.84Å; F711-A715 VanDerWaalsContact O-CB 3.27Å; F711-A715 WeakPolarHBondContact O-CB 3.42Å; F711-A715 PolarHBondContact O-N 2.98Å; F711-Y735 HydrophobicContact CE2-CD1 4.15Å; F711-Y735 HydrophobicContact CZ-CD1 4.23Å; F711-L738 HydrophobicContact CD2-CB 4.15Å; F711-L738 HydrophobicContact CE2-CB 3.92Å; F711-I739 HydrophobicContact CD1-CD1 4.41Å; F711-I739 HydrophobicContact CE1-CD1 3.84Å; F711-I739 HydrophobicContact CZ-CB 4.36Å; F711-I739 HydrophobicContact CZ-CD1 3.91Å; F711-V742 HydrophobicContact CB-CG2 4.15Å; F711-V742 HydrophobicContact CD2-CG2 4.3Å; F711-V742 HydrophobicContact CG-CG2 4.22Å; F711-L773 HydrophobicContact CE1-CD2 4.23Å; F711-L781 HydrophobicContact CZ-CD1 4.23Å
712E90Very high87Confident37 Ų3733 Ų3317%0.17317%0.174CC..Hα-helixtrans-59.4-51.7173.3173.4167-122.200111.8V708 T709 F714 A715 E716 H768 T772 R775V708-E712 PolarHBondContact O-N 2.82Å; T709-E712 WeakPolarHBondContact O-CB 3.39Å; T709-E712 PolarHBondContact O-N 2.76Å; T709-E712 VanDerWaalsContact O-N 3.11Å; E712-F714 VanDerWaalsContact C-N 3.33Å; E712-F714 PolarHBondContact O-N 2.76Å; E712-A715 PolarHBondContact O-N 2.84Å; E712-A715 VanDerWaalsContact O-N 3.11Å; E712-E716 PolarHBondContact O-N 3.31Å; E712-H768 IonicContact OE2-CE1 3.9Å; E712-H768 IonicContact OE2-NE2 3.6Å; E712-H768 PolarHBondContact OE2-NE2 3.04Å; E712-T772 HydrophobicContact CB-CG2 3.73Å; E712-T772 HydrophobicContact CG-CG2 3.61Å; E712-T772 WeakPolarHBondContact OE1-CG2 3.44Å; E712-T772 PolarHBondContact OE1-OG1 2.94Å; E712-R775 IonicContact OE1-CZ 3.89Å; E712-R775 IonicContact OE1-NE 3.99Å; E712-R775 IonicContact OE1-NH2 3.84Å; E712-R775 PolarHBondContact OE1-NH2 3.24Å
713E87.4Confident87.1Confident114 Ų11442.6 Ų42.653%0.53321%0.209SC..Hα-helixtrans-57.6-44.4176.8-68.7171.6-174.900111.9T709 L717T709-E713 PolarHBondContact O-N 2.86Å; E713-L717 WeakPolarHBondContact O-CB 3.47Å; E713-L717 PolarHBondContact O-N 3.06Å; E713-L717 VanDerWaalsContact O-N 3.09Å
714F89.3Confident87Confident10 Ų1049.6 Ų49.64%0.04424%0.243CC..Hα-helixtrans-61.4-44.6175.1170.7-100000111.8F640 L643 I684 R710 F711 E712 L717 A718 L731 Y735 L738F640-F714 AromaticContact CD1-CD2 3.94Å; F640-F714 HydrophobicContact CD1-CD2 3.94Å; F640-F714 HydrophobicContact CD1-CE2 4.22Å; F640-F714 AromaticContact CE1-CD2 3.43Å; F640-F714 HydrophobicContact CE1-CD2 3.43Å; F640-F714 VanDerWaalsContact CE1-CD2 3.43Å; F640-F714 AromaticContact CE1-CE2 3.98Å; F640-F714 HydrophobicContact CE1-CE2 3.98Å; F640-F714 HydrophobicContact CE1-CG 4.45Å; F640-F714 HydrophobicContact CZ-CD2 4.46Å; L643-F714 HydrophobicContact CD1-CD2 4.4Å; L643-F714 HydrophobicContact CD1-CE2 3.9Å; L643-F714 HydrophobicContact CD2-CE2 4.13Å; L643-F714 HydrophobicContact CD2-CZ 4.32Å; I684-F714 HydrophobicContact CD1-CE1 4.47Å; I684-F714 HydrophobicContact CD1-CE2 4.16Å; I684-F714 HydrophobicContact CD1-CZ 3.61Å; R710-F714 VanDerWaalsContact O-CB 3.3Å; R710-F714 WeakPolarHBondContact O-CB 3.42Å; R710-F714 PolarHBondContact O-N 3.21Å; F711-F714 PolarHBondContact O-N 2.84Å; E712-F714 VanDerWaalsContact C-N 3.33Å; E712-F714 PolarHBondContact O-N 2.76Å; F714-L717 PolarHBondContact O-N 2.74Å; F714-A718 HydrophobicContact CE1-CB 4.35Å; F714-A718 HydrophobicContact CZ-CB 4.27Å; F714-A718 VanDerWaalsContact O-CB 3.24Å; F714-A718 WeakPolarHBondContact O-CB 3.47Å; F714-A718 PolarHBondContact O-N 3.16Å; F714-L731 HydrophobicContact CZ-CD1 4.32Å; F714-Y735 HydrophobicContact CD1-CE1 4.31Å; F714-Y735 HydrophobicContact CE1-CD1 4.47Å; F714-Y735 HydrophobicContact CE1-CE1 4.02Å; F714-L738 HydrophobicContact CD1-CD1 3.9Å; F714-L738 HydrophobicContact CE1-CD1 3.34Å; F714-L738 HydrophobicContact CZ-CD1 3.91Å
715A90.4Very high87Confident0 Ų049.1 Ų49.10%024%0.243CC..Hα-helixtrans-65.2-42.5-17800000111.1F711 E712 A718 E719 Y735 L776 I778F711-A715 VanDerWaalsContact O-CB 3.27Å; F711-A715 WeakPolarHBondContact O-CB 3.42Å; F711-A715 PolarHBondContact O-N 2.98Å; E712-A715 PolarHBondContact O-N 2.84Å; E712-A715 VanDerWaalsContact O-N 3.11Å; A715-A718 PolarHBondContact O-N 2.96Å; A715-E719 WeakPolarHBondContact O-CB 3.42Å; A715-E719 VanDerWaalsContact O-CG 3.28Å; A715-E719 WeakPolarHBondContact O-CG 3.46Å; A715-E719 PolarHBondContact O-N 2.81Å; A715-Y735 HydrophobicContact CB-CE1 3.94Å; A715-Y735 PolarHBondContact O-OH 3.06Å; A715-L776 HydrophobicContact CB-CD1 3.5Å; A715-L776 VanDerWaalsContact CB-CD1 3.5Å; A715-I778 HydrophobicContact CB-CD1 4.29Å
716E89.1Confident86.4Confident75 Ų7553.3 Ų53.335%0.3526%0.263SS..Hα-helixtrans-59.3-46.7174.2-75.5-175.3167.800112.8E712 T720 R775 L776E712-E716 PolarHBondContact O-N 3.31Å; E716-T720 WeakPolarHBondContact O-CB 3.35Å; E716-T720 PolarHBondContact O-N 2.77Å; E716-T720 VanDerWaalsContact O-N 3.14Å; E716-T720 PolarHBondContact O-OG1 3.33Å; E716-R775 IonicContact OE1-CZ 3.88Å; E716-R775 IonicContact OE1-NH1 3.89Å; E716-R775 PolarHBondContact OE1-NH1 3.47Å; E716-R775 IonicContact OE1-NH2 3.24Å; E716-R775 PolarHBondContact OE1-NH2 2.93Å; E716-L776 HydrophobicContact CG-CD1 4.36Å; E716-L776 HydrophobicContact CG-CD2 3.82Å
717L86.8Confident86.2Confident27 Ų2754.8 Ų54.814%0.14126%0.26CS..Hα-helixtrans-62.5-49.4178-177.366.4000110.9F640 L643 Y644 E713 F714 T720 I721F640-L717 HydrophobicContact CB-CD2 4.47Å; L643-L717 HydrophobicContact CD1-CD2 4.27Å; Y644-L717 WeakPolarHBondContact OH-CD1 3.42Å; E713-L717 WeakPolarHBondContact O-CB 3.47Å; E713-L717 PolarHBondContact O-N 3.06Å; E713-L717 VanDerWaalsContact O-N 3.09Å; F714-L717 PolarHBondContact O-N 2.74Å; L717-T720 WeakPolarHBondContact O-CB 3.41Å; L717-T720 PolarHBondContact O-N 3.27Å; L717-I721 HydrophobicContact CD1-CD1 4.05Å; L717-I721 HydrophobicContact CG-CD1 3.83Å; L717-I721 VanDerWaalsContact O-CG1 3.27Å; L717-I721 WeakPolarHBondContact O-CG1 3.29Å; L717-I721 PolarHBondContact O-N 3.45Å; L717-I721 VanDerWaalsContact O-N 3.07Å
718A89.3Confident86.1Confident0 Ų057.1 Ų57.10%027%0.268CS..Hα-helixtrans-66.5-40.2-177.200000112.4L643 F714 A715 T720 I721 F722 L731 Y735L643-A718 HydrophobicContact CD2-CB 4.36Å; F714-A718 HydrophobicContact CE1-CB 4.35Å; F714-A718 HydrophobicContact CZ-CB 4.27Å; F714-A718 VanDerWaalsContact O-CB 3.24Å; F714-A718 WeakPolarHBondContact O-CB 3.47Å; F714-A718 PolarHBondContact O-N 3.16Å; A715-A718 PolarHBondContact O-N 2.96Å; A718-T720 VanDerWaalsContact C-N 3.28Å; A718-T720 PolarHBondContact O-N 3.18Å; A718-I721 PolarHBondContact O-N 3.18Å; A718-F722 WeakPolarHBondContact O-CB 3.23Å; A718-F722 WeakPolarHBondContact O-CD2 3.16Å; A718-F722 PolarHBondContact O-N 3.23Å; A718-L731 HydrophobicContact CB-CD1 4.05Å; A718-L731 HydrophobicContact CB-CD2 3.94Å; A718-Y735 WeakPolarHBondContact CB-OH 3.49Å
719E89.2Confident86Confident41 Ų4158.7 Ų58.719%0.19229%0.285CS..Hα-helixtrans-63.7-34.8174-70.8-53.7148.400112.4A715 R723 R728 Y735 I778A715-E719 WeakPolarHBondContact O-CB 3.42Å; A715-E719 VanDerWaalsContact O-CG 3.28Å; A715-E719 WeakPolarHBondContact O-CG 3.46Å; A715-E719 PolarHBondContact O-N 2.81Å; E719-R723 PolarHBondContact O-N 3.17Å; E719-R728 IonicContact OE1-CZ 3.32Å; E719-R728 IonicContact OE1-NH2 2.66Å; E719-R728 PolarHBondContact OE1-NH2 2.97Å; E719-R728 IonicContact OE2-CZ 2.66Å; E719-R728 IonicContact OE2-NH2 2.82Å; E719-R728 PolarHBondContact OE2-NH2 2.8Å; E719-Y735 VanDerWaalsContact OE1-CE2 3.23Å; E719-Y735 WeakPolarHBondContact OE1-CE2 3.49Å; E719-Y735 PolarHBondContact OE1-OH 2.74Å; E719-Y735 VanDerWaalsContact OE1-OH 3.13Å; E719-I778 HydrophobicContact CG-CD1 4.22Å; E719-I778 HydrophobicContact CG-CG1 4.24Å; E719-I778 WeakPolarHBondContact OE1-CD1 3.48Å; E719-I778 WeakPolarHBondContact OE1-CG1 3.16Å
720T87Confident86.2Confident110 Ų11058.1 Ų58.168%0.67528%0.28SS*.Hα-helixtrans-66.1-42.5176.2-58.10000111.3E716 L717 A718E716-T720 WeakPolarHBondContact O-CB 3.35Å; E716-T720 PolarHBondContact O-N 2.77Å; E716-T720 VanDerWaalsContact O-N 3.14Å; E716-T720 PolarHBondContact O-OG1 3.33Å; L717-T720 WeakPolarHBondContact O-CB 3.41Å; L717-T720 PolarHBondContact O-N 3.27Å; A718-T720 VanDerWaalsContact C-N 3.28Å; A718-T720 PolarHBondContact O-N 3.18Å
721I86.5Confident86.5Confident26 Ų2654.3 Ų54.313%0.13327%0.266CS..Hα-helixtrans-74.1-39.4-178.2-63.2165.2000111.7L643 Y644 V647 L717 A718L643-I721 HydrophobicContact CB-CD1 3.9Å; L643-I721 HydrophobicContact CD1-CD1 4.28Å; Y644-I721 HydrophobicContact CD1-CD1 3.99Å; Y644-I721 HydrophobicContact CD1-CG1 4.01Å; Y644-I721 HydrophobicContact CD1-CG2 4.27Å; Y644-I721 HydrophobicContact CD2-CD1 3.82Å; Y644-I721 HydrophobicContact CE1-CD1 3.62Å; Y644-I721 HydrophobicContact CE1-CG1 3.54Å; Y644-I721 HydrophobicContact CE2-CD1 3.42Å; Y644-I721 VanDerWaalsContact CE2-CD1 3.42Å; Y644-I721 HydrophobicContact CE2-CG1 4.29Å; Y644-I721 HydrophobicContact CG-CD1 4.09Å; V647-I721 HydrophobicContact CB-CG2 4.27Å; V647-I721 HydrophobicContact CG2-CG2 3.79Å; L717-I721 HydrophobicContact CD1-CD1 4.05Å; L717-I721 HydrophobicContact CG-CD1 3.83Å; L717-I721 VanDerWaalsContact O-CG1 3.27Å; L717-I721 WeakPolarHBondContact O-CG1 3.29Å; L717-I721 PolarHBondContact O-N 3.45Å; L717-I721 VanDerWaalsContact O-N 3.07Å; A718-I721 PolarHBondContact O-N 3.18Å
722F89.1Confident86.5Confident2 Ų256 Ų561%0.00928%0.275CS..Hα-helixtrans-95.19-171.3-77.7-105.5000114.8L643 L646 V647 A718 N724 A725 L731L643-F722 HydrophobicContact CB-CE2 4.17Å; L643-F722 HydrophobicContact CD2-CE2 3.71Å; L643-F722 HydrophobicContact CD2-CZ 4.32Å; L646-F722 HydrophobicContact CD2-CE1 4.37Å; L646-F722 HydrophobicContact CD2-CZ 4.13Å; V647-F722 HydrophobicContact CG2-CD1 3.78Å; V647-F722 HydrophobicContact CG2-CD2 3.88Å; V647-F722 HydrophobicContact CG2-CE1 3.6Å; V647-F722 HydrophobicContact CG2-CE2 3.69Å; V647-F722 HydrophobicContact CG2-CG 3.92Å; V647-F722 HydrophobicContact CG2-CZ 3.55Å; A718-F722 WeakPolarHBondContact O-CB 3.23Å; A718-F722 WeakPolarHBondContact O-CD2 3.16Å; A718-F722 PolarHBondContact O-N 3.23Å; F722-N724 PolarHBondContact O-N 3.05Å; F722-A725 HydrophobicContact CB-CB 4.14Å; F722-A725 HydrophobicContact CD1-CB 3.68Å; F722-A725 HydrophobicContact CE1-CB 4.45Å; F722-A725 HydrophobicContact CG-CB 4.15Å; F722-A725 PolarHBondContact O-N 3.5Å; F722-L731 HydrophobicContact CB-CD2 3.66Å; F722-L731 HydrophobicContact CD1-CB 4Å; F722-L731 HydrophobicContact CD1-CD2 3.9Å; F722-L731 HydrophobicContact CD2-CD2 3.57Å; F722-L731 HydrophobicContact CE1-CB 4Å; F722-L731 HydrophobicContact CE1-CD2 4.43Å; F722-L731 HydrophobicContact CE2-CD2 4.14Å; F722-L731 HydrophobicContact CG-CB 4.4Å; F722-L731 HydrophobicContact CG-CD2 3.43Å; F722-L731 VanDerWaalsContact CG-CD2 3.43Å; F722-L731 HydrophobicContact CZ-CB 4.4Å
723R80.2Confident86.7Confident209 Ų20960.9 Ų60.979%0.78930%0.296SS*.THydrogen-bonded Turntrans-48.9-31.4-171.1-156.6175.9-156.5174.37.7115.1E719E719-R723 PolarHBondContact O-N 3.17Å
724N76.4Confident86.9Confident163 Ų16355.8 Ų55.887%0.87227%0.273SS*.THydrogen-bonded Turntrans-137.929.6174.9-66.1-39.5000112.4F722F722-N724 PolarHBondContact O-N 3.05Å
725A82.6Confident87.2Confident17 Ų1755.3 Ų55.314%0.1427%0.271CS..  trans-79132.5-174.400000112.2V647 F722 R727 R728V647-A725 HydrophobicContact CG1-CB 4Å; V647-A725 HydrophobicContact CG2-CB 3.85Å; F722-A725 HydrophobicContact CB-CB 4.14Å; F722-A725 HydrophobicContact CD1-CB 3.68Å; F722-A725 HydrophobicContact CE1-CB 4.45Å; F722-A725 HydrophobicContact CG-CB 4.15Å; F722-A725 PolarHBondContact O-N 3.5Å; A725-R727 PolarHBondContact O-N 3.03Å; A725-R728 PolarHBondContact O-N 3.4Å; A725-R728 VanDerWaalsContact O-N 3.17Å
726E75.9Confident87.3Confident92 Ų9256.8 Ų56.843%0.4328%0.28SS..THydrogen-bonded Turntrans-58.8-31.1178.7-66.1161.7-161.600113.1H651 W654H651-E726 IonicContact ND1-OE1 2.8Å; H651-E726 PolarHBondContact ND1-OE1 3.35Å; W654-E726 WeakPolarHBondContact CB-OE2 3.44Å; W654-E726 VanDerWaalsContact CD2-OE1 3.26Å; W654-E726 VanDerWaalsContact CG-CD 3.44Å
727R80Confident87.5Confident96 Ų9659.2 Ų59.236%0.36229%0.29SS..THydrogen-bonded Turntrans-9830.5178.6-68.1-156.1178.5-164.52.1114.5S650 L673 A725 G729 D730S650-R727 WeakPolarHBondContact OG-CD 3.46Å; L673-R727 VanDerWaalsContact CD2-NH2 3.3Å; A725-R727 PolarHBondContact O-N 3.03Å; R727-G729 PolarHBondContact O-N 3.29Å; R727-D730 PolarHBondContact O-N 3.02Å
728R86.3Confident87.8Confident49 Ų4958 Ų5819%0.18528%0.283CS..Hα-helixtrans-51.4-33.1177.3-169.165.8174.383.1-0.3113.8E719 A725 D730 L731 D732E719-R728 IonicContact OE1-CZ 3.32Å; E719-R728 IonicContact OE1-NH2 2.66Å; E719-R728 PolarHBondContact OE1-NH2 2.97Å; E719-R728 IonicContact OE2-CZ 2.66Å; E719-R728 IonicContact OE2-NH2 2.82Å; E719-R728 PolarHBondContact OE2-NH2 2.8Å; A725-R728 PolarHBondContact O-N 3.4Å; A725-R728 VanDerWaalsContact O-N 3.17Å; R728-D730 VanDerWaalsContact C-N 3.25Å; R728-D730 PolarHBondContact O-N 3.44Å; R728-L731 VanDerWaalsContact NH1-CG 3.31Å; R728-L731 WeakPolarHBondContact O-CB 3.17Å; R728-L731 PolarHBondContact O-N 3.37Å; R728-D732 IonicContact CZ-OD1 3.18Å; R728-D732 IonicContact NH1-OD1 3.53Å; R728-D732 PolarHBondContact NH1-OD1 3.09Å; R728-D732 IonicContact NH2-OD1 2.93Å; R728-D732 PolarHBondContact O-N 3.01Å
729G87.9Confident88Confident36 Ų3658 Ų5837%0.37128%0.283SS..Hα-helixtrans-62.5-24.3178.800000115.1R727 K733R727-G729 PolarHBondContact O-N 3.29Å; G729-K733 WeakPolarHBondContact O-CG 3.33Å; G729-K733 PolarHBondContact O-N 3.14Å
730D89.7Confident88.2Confident32 Ų3262.9 Ų62.917%0.17130%0.3CS..Hα-helixtrans-72-38.7172.8-73.7-33.5000110.9R727 R728 A734R727-D730 PolarHBondContact O-N 3.02Å; R728-D730 VanDerWaalsContact C-N 3.25Å; R728-D730 PolarHBondContact O-N 3.44Å; D730-A734 PolarHBondContact O-N 3.22Å; D730-A734 VanDerWaalsContact O-N 3.16Å
731L92.1Very high88.4Confident0 Ų058.2 Ų58.20%027%0.272CS..Hα-helixtrans-68.9-39.8173.9178.860.5000111.7F680 F714 A718 F722 R728 K733 A734 Y735F680-L731 HydrophobicContact CZ-CD1 4.36Å; F714-L731 HydrophobicContact CZ-CD1 4.32Å; A718-L731 HydrophobicContact CB-CD1 4.05Å; A718-L731 HydrophobicContact CB-CD2 3.94Å; F722-L731 HydrophobicContact CB-CD2 3.66Å; F722-L731 HydrophobicContact CD1-CB 4Å; F722-L731 HydrophobicContact CD1-CD2 3.9Å; F722-L731 HydrophobicContact CD2-CD2 3.57Å; F722-L731 HydrophobicContact CE1-CB 4Å; F722-L731 HydrophobicContact CE1-CD2 4.43Å; F722-L731 HydrophobicContact CE2-CD2 4.14Å; F722-L731 HydrophobicContact CG-CB 4.4Å; F722-L731 HydrophobicContact CG-CD2 3.43Å; F722-L731 VanDerWaalsContact CG-CD2 3.43Å; F722-L731 HydrophobicContact CZ-CB 4.4Å; R728-L731 VanDerWaalsContact NH1-CG 3.31Å; R728-L731 WeakPolarHBondContact O-CB 3.17Å; R728-L731 PolarHBondContact O-N 3.37Å; L731-K733 VanDerWaalsContact C-N 3.33Å; L731-K733 PolarHBondContact O-N 3.14Å; L731-A734 CarbonylContact O-C 3.58Å; L731-A734 WeakPolarHBondContact O-CA 3.41Å; L731-A734 WeakPolarHBondContact O-CB 3.48Å; L731-A734 PolarHBondContact O-N 3.27Å; L731-Y735 HydrophobicContact CD1-CD2 4.08Å; L731-Y735 HydrophobicContact CD1-CE2 3.77Å; L731-Y735 HydrophobicContact CD2-CD2 4.46Å; L731-Y735 HydrophobicContact CD2-CE2 3.67Å; L731-Y735 HydrophobicContact CG-CD2 3.77Å; L731-Y735 HydrophobicContact CG-CE2 3.43Å; L731-Y735 VanDerWaalsContact CG-CE2 3.43Å; L731-Y735 WeakPolarHBondContact O-CD2 3.08Å; L731-Y735 PolarHBondContact O-N 3.46Å
732D92.3Very high88.8Confident40 Ų4057 Ų5721%0.21427%0.266CS..Hα-helixtrans-59.9-42.9176.7-66.9-24.9000112R728 A734 Y735 V736 C780R728-D732 IonicContact CZ-OD1 3.18Å; R728-D732 IonicContact NH1-OD1 3.53Å; R728-D732 PolarHBondContact NH1-OD1 3.09Å; R728-D732 IonicContact NH2-OD1 2.93Å; R728-D732 PolarHBondContact O-N 3.01Å; D732-A734 VanDerWaalsContact C-N 3.3Å; D732-A734 PolarHBondContact O-N 2.89Å; D732-Y735 PolarHBondContact O-N 3.43Å; D732-V736 WeakPolarHBondContact O-CG2 3.29Å; D732-V736 PolarHBondContact O-N 3.03Å; D732-C780 HydrophobicContact CB-CB 3.89Å; D732-C780 PolarHBondContact OD1-SG 3.39Å
733K92.7Very high88.9Confident140 Ų14057.2 Ų57.261%0.60927%0.267SS*.Hα-helixtrans-63.8-35.8174.1-71.8171-173.3168.40112.2G729 L731 K737G729-K733 WeakPolarHBondContact O-CG 3.33Å; G729-K733 PolarHBondContact O-N 3.14Å; L731-K733 VanDerWaalsContact C-N 3.33Å; L731-K733 PolarHBondContact O-N 3.14Å; K733-K737 WeakPolarHBondContact O-CG 3.35Å; K733-K737 PolarHBondContact O-N 3.13Å
734A93.3Very high89.5Confident6 Ų653.5 Ų53.55%0.0526%0.26CS..Hα-helixtrans-69-42.9176.100000111.7F680 I684 D730 L731 D732 V736 K737 L738F680-A734 HydrophobicContact CE1-CB 4.08Å; F680-A734 HydrophobicContact CZ-CB 3.77Å; I684-A734 HydrophobicContact CD1-CB 3.93Å; I684-A734 HydrophobicContact CG1-CB 3.85Å; I684-A734 HydrophobicContact CG2-CB 4.04Å; D730-A734 PolarHBondContact O-N 3.22Å; D730-A734 VanDerWaalsContact O-N 3.16Å; L731-A734 CarbonylContact O-C 3.58Å; L731-A734 WeakPolarHBondContact O-CA 3.41Å; L731-A734 WeakPolarHBondContact O-CB 3.48Å; L731-A734 PolarHBondContact O-N 3.27Å; D732-A734 VanDerWaalsContact C-N 3.3Å; D732-A734 PolarHBondContact O-N 2.89Å; A734-V736 PolarHBondContact O-N 2.95Å; A734-K737 PolarHBondContact O-N 2.83Å; A734-K737 VanDerWaalsContact O-N 3.14Å; A734-L738 WeakPolarHBondContact O-CG 3.19Å; A734-L738 PolarHBondContact O-N 3.43Å
735Y94Very high90.1Very high0 Ų046.3 Ų46.30%022%0.222CC..Hα-helixtrans-56.8-48.7176.8-87.3-50.3000112.3F711 F714 A715 A718 E719 L731 D732 K737 L738 I739 I778 L781F711-Y735 HydrophobicContact CE2-CD1 4.15Å; F711-Y735 HydrophobicContact CZ-CD1 4.23Å; F714-Y735 HydrophobicContact CD1-CE1 4.31Å; F714-Y735 HydrophobicContact CE1-CD1 4.47Å; F714-Y735 HydrophobicContact CE1-CE1 4.02Å; A715-Y735 HydrophobicContact CB-CE1 3.94Å; A715-Y735 PolarHBondContact O-OH 3.06Å; A718-Y735 WeakPolarHBondContact CB-OH 3.49Å; E719-Y735 VanDerWaalsContact OE1-CE2 3.23Å; E719-Y735 WeakPolarHBondContact OE1-CE2 3.49Å; E719-Y735 PolarHBondContact OE1-OH 2.74Å; E719-Y735 VanDerWaalsContact OE1-OH 3.13Å; L731-Y735 HydrophobicContact CD1-CD2 4.08Å; L731-Y735 HydrophobicContact CD1-CE2 3.77Å; L731-Y735 HydrophobicContact CD2-CD2 4.46Å; L731-Y735 HydrophobicContact CD2-CE2 3.67Å; L731-Y735 HydrophobicContact CG-CD2 3.77Å; L731-Y735 HydrophobicContact CG-CE2 3.43Å; L731-Y735 VanDerWaalsContact CG-CE2 3.43Å; L731-Y735 WeakPolarHBondContact O-CD2 3.08Å; L731-Y735 PolarHBondContact O-N 3.46Å; D732-Y735 PolarHBondContact O-N 3.43Å; Y735-K737 PolarHBondContact O-N 3.3Å; Y735-L738 PolarHBondContact O-N 3.47Å; Y735-I739 WeakPolarHBondContact O-CG2 3.42Å; Y735-I739 PolarHBondContact O-N 3.44Å; Y735-I778 HydrophobicContact CD2-CG2 4.21Å; Y735-I778 HydrophobicContact CE1-CD1 4.12Å; Y735-I778 HydrophobicContact CE2-CD1 4.34Å; Y735-I778 HydrophobicContact CE2-CG2 4.28Å; Y735-L781 HydrophobicContact CD1-CD1 4.15Å; Y735-L781 HydrophobicContact CG-CD1 4.17Å
736V93.1Very high90.5Very high32 Ų3245.5 Ų45.519%0.19422%0.215CC..Hα-helixtrans-59-37178.3174.70000111.5D732 A734 R740 L781D732-V736 WeakPolarHBondContact O-CG2 3.29Å; D732-V736 PolarHBondContact O-N 3.03Å; A734-V736 PolarHBondContact O-N 2.95Å; V736-R740 VanDerWaalsContact CG1-CZ 3.41Å; V736-R740 WeakPolarHBondContact O-CB 3.25Å; V736-R740 WeakPolarHBondContact O-CD 3.39Å; V736-R740 WeakPolarHBondContact O-CG 3.38Å; V736-R740 PolarHBondContact O-N 2.98Å; V736-L781 HydrophobicContact CG2-CD2 4.2Å
737K93.3Very high91.2Very high126 Ų12644.2 Ų44.255%0.54821%0.209SC..Hα-helixtrans-71.1-45.4175.9-69.2176.2-177.7178.60112.1I688 K733 A734 Y735 A741I688-K737 HydrophobicContact CD1-CB 4.17Å; K733-K737 WeakPolarHBondContact O-CG 3.35Å; K733-K737 PolarHBondContact O-N 3.13Å; A734-K737 PolarHBondContact O-N 2.83Å; A734-K737 VanDerWaalsContact O-N 3.14Å; Y735-K737 PolarHBondContact O-N 3.3Å; K737-A741 WeakPolarHBondContact O-CB 3.31Å; K737-A741 PolarHBondContact O-N 3.44Å
738L93.2Very high91.6Very high1 Ų144.2 Ų44.21%0.00521%0.212CC..Hα-helixtrans-62.8-49.7-178.9-77.7167.6000111.6I684 Q687 I688 M691 F711 F714 A734 Y735 R740 A741 V742I684-L738 HydrophobicContact CD1-CD1 4.03Å; I684-L738 HydrophobicContact CG2-CD1 4.24Å; I684-L738 HydrophobicContact CG2-CD2 4.2Å; I684-L738 HydrophobicContact CG2-CG 3.97Å; Q687-L738 HydrophobicContact CB-CD2 3.99Å; I688-L738 HydrophobicContact CD1-CD2 4.47Å; I688-L738 HydrophobicContact CG1-CD2 3.77Å; M691-L738 HydrophobicContact CE-CD2 4.03Å; F711-L738 HydrophobicContact CD2-CB 4.15Å; F711-L738 HydrophobicContact CE2-CB 3.92Å; F714-L738 HydrophobicContact CD1-CD1 3.9Å; F714-L738 HydrophobicContact CE1-CD1 3.34Å; F714-L738 HydrophobicContact CZ-CD1 3.91Å; A734-L738 WeakPolarHBondContact O-CG 3.19Å; A734-L738 PolarHBondContact O-N 3.43Å; Y735-L738 PolarHBondContact O-N 3.47Å; L738-R740 VanDerWaalsContact C-N 3.32Å; L738-R740 PolarHBondContact O-N 3.41Å; L738-A741 WeakPolarHBondContact O-CB 3.36Å; L738-A741 PolarHBondContact O-N 3.31Å; L738-A741 VanDerWaalsContact O-N 3.15Å; L738-V742 WeakPolarHBondContact O-CG2 3.4Å; L738-V742 PolarHBondContact O-N 3.46Å
739I93.8Very high91.6Very high0 Ų042.3 Ų42.30%021%0.206CC..Hα-helixtrans-65.2-36.5-177.2-165.159.6000112.1F711 Y735 V742 F743 I769 L773 L781 E784F711-I739 HydrophobicContact CD1-CD1 4.41Å; F711-I739 HydrophobicContact CE1-CD1 3.84Å; F711-I739 HydrophobicContact CZ-CB 4.36Å; F711-I739 HydrophobicContact CZ-CD1 3.91Å; Y735-I739 WeakPolarHBondContact O-CG2 3.42Å; Y735-I739 PolarHBondContact O-N 3.44Å; I739-V742 WeakPolarHBondContact O-CB 3.35Å; I739-V742 PolarHBondContact O-N 2.95Å; I739-F743 HydrophobicContact CD1-CD1 4.18Å; I739-F743 HydrophobicContact CD1-CE1 3.61Å; I739-F743 HydrophobicContact CD1-CZ 4.44Å; I739-F743 HydrophobicContact CG1-CD1 4.16Å; I739-F743 HydrophobicContact CG1-CE1 3.59Å; I739-F743 HydrophobicContact CG1-CZ 4.06Å; I739-F743 VanDerWaalsContact O-CD1 3.22Å; I739-F743 WeakPolarHBondContact O-CD1 3.39Å; I739-F743 PolarHBondContact O-N 3.48Å; I739-I769 HydrophobicContact CD1-CG2 4.05Å; I739-L773 HydrophobicContact CD1-CD1 4.36Å; I739-L781 HydrophobicContact CB-CD2 4.43Å; I739-L781 HydrophobicContact CG2-CD2 3.77Å; I739-E784 HydrophobicContact CG1-CB 4.25Å; I739-E784 HydrophobicContact CG2-CB 4.21Å; I739-E784 HydrophobicContact CG2-CG 3.75Å
740R92.6Very high91.5Very high144 Ų14440.7 Ų40.754%0.54319%0.188SC..Hα-helixtrans-64.2-43.1173.8-73.8175.5-172.8-178.93111.3V736 L738 V742 F743 M744 E784V736-R740 VanDerWaalsContact CG1-CZ 3.41Å; V736-R740 WeakPolarHBondContact O-CB 3.25Å; V736-R740 WeakPolarHBondContact O-CD 3.39Å; V736-R740 WeakPolarHBondContact O-CG 3.38Å; V736-R740 PolarHBondContact O-N 2.98Å; L738-R740 VanDerWaalsContact C-N 3.32Å; L738-R740 PolarHBondContact O-N 3.41Å; R740-V742 VanDerWaalsContact C-N 3.31Å; R740-V742 PolarHBondContact O-N 3.3Å; R740-F743 PolarHBondContact O-N 3.24Å; R740-M744 WeakPolarHBondContact O-CG 3.38Å; R740-M744 PolarHBondContact O-N 3.05Å; R740-E784 IonicContact NH2-OE1 3.5Å
741A92.6Very high91.3Very high11 Ų1143.1 Ų43.19%0.09121%0.208CC..Hα-helixtrans-62.5-39.6174.100000111.6I688 K737 L738 N745I688-A741 HydrophobicContact CB-CB 4.44Å; I688-A741 HydrophobicContact CG1-CB 4.05Å; I688-A741 HydrophobicContact CG2-CB 3.84Å; K737-A741 WeakPolarHBondContact O-CB 3.31Å; K737-A741 PolarHBondContact O-N 3.44Å; L738-A741 WeakPolarHBondContact O-CB 3.36Å; L738-A741 PolarHBondContact O-N 3.31Å; L738-A741 VanDerWaalsContact O-N 3.15Å; A741-N745 WeakPolarHBondContact O-CB 3.12Å; A741-N745 PolarHBondContact O-N 3.19Å; A741-N745 PolarHBondContact O-ND2 3Å
742V92.9Very high90.9Very high0 Ų048.4 Ų48.40%023%0.233CC..Hα-helixtrans-58.8-52.6173.11720000109.8M691 F707 V708 F711 L738 I739 R740 M744 N745 V746 I769M691-V742 HydrophobicContact CE-CG2 4.13Å; M691-V742 HydrophobicContact SD-CG2 3.82Å; F707-V742 HydrophobicContact CD2-CG1 4.33Å; F707-V742 HydrophobicContact CD2-CG2 4.5Å; F707-V742 HydrophobicContact CE2-CG1 4.18Å; V708-V742 HydrophobicContact CG2-CG1 4.02Å; F711-V742 HydrophobicContact CB-CG2 4.15Å; F711-V742 HydrophobicContact CD2-CG2 4.3Å; F711-V742 HydrophobicContact CG-CG2 4.22Å; L738-V742 WeakPolarHBondContact O-CG2 3.4Å; L738-V742 PolarHBondContact O-N 3.46Å; I739-V742 WeakPolarHBondContact O-CB 3.35Å; I739-V742 PolarHBondContact O-N 2.95Å; R740-V742 VanDerWaalsContact C-N 3.31Å; R740-V742 PolarHBondContact O-N 3.3Å; V742-M744 PolarHBondContact O-N 3.4Å; V742-N745 PolarHBondContact O-N 3Å; V742-V746 HydrophobicContact CG1-CG2 4.2Å; V742-V746 VanDerWaalsContact O-CG2 3.28Å; V742-V746 WeakPolarHBondContact O-CG2 3.45Å; V742-V746 PolarHBondContact O-N 3.28Å; V742-I769 HydrophobicContact CG1-CD1 3.73Å; V742-I769 HydrophobicContact CG1-CG1 4.44Å
743F93.1Very high90.3Very high8 Ų847.8 Ų47.84%0.03523%0.231CC..Hα-helixtrans-57.7-49.2-178.4-76.220.4000112I739 R740 N745 V746 E747 F766 I769 E784 E787 A788I739-F743 HydrophobicContact CD1-CD1 4.18Å; I739-F743 HydrophobicContact CD1-CE1 3.61Å; I739-F743 HydrophobicContact CD1-CZ 4.44Å; I739-F743 HydrophobicContact CG1-CD1 4.16Å; I739-F743 HydrophobicContact CG1-CE1 3.59Å; I739-F743 HydrophobicContact CG1-CZ 4.06Å; I739-F743 VanDerWaalsContact O-CD1 3.22Å; I739-F743 WeakPolarHBondContact O-CD1 3.39Å; I739-F743 PolarHBondContact O-N 3.48Å; R740-F743 PolarHBondContact O-N 3.24Å; F743-N745 VanDerWaalsContact C-N 3.32Å; F743-N745 PolarHBondContact O-N 3.37Å; F743-V746 PolarHBondContact O-N 3.47Å; F743-E747 WeakPolarHBondContact O-CG 3.31Å; F743-E747 PolarHBondContact O-N 3.4Å; F743-F766 HydrophobicContact CB-CE1 4.35Å; F743-F766 HydrophobicContact CB-CZ 4.33Å; F743-F766 AromaticContact CD1-CE1 3.66Å; F743-F766 HydrophobicContact CD1-CE1 3.66Å; F743-F766 HydrophobicContact CD1-CZ 4.38Å; F743-F766 AromaticContact CD2-CE1 3.89Å; F743-F766 HydrophobicContact CD2-CE1 3.89Å; F743-F766 HydrophobicContact CD2-CZ 4.49Å; F743-F766 HydrophobicContact CE1-CD1 4.37Å; F743-F766 AromaticContact CE1-CE1 3.87Å; F743-F766 HydrophobicContact CE1-CE1 3.87Å; F743-F766 HydrophobicContact CE2-CE1 4.06Å; F743-F766 AromaticContact CG-CE1 3.69Å; F743-F766 HydrophobicContact CG-CE1 3.69Å; F743-F766 HydrophobicContact CG-CZ 4.15Å; F743-F766 HydrophobicContact CZ-CE1 4.06Å; F743-I769 HydrophobicContact CD1-CD1 4.2Å; F743-I769 HydrophobicContact CE1-CD1 4.12Å; F743-I769 HydrophobicContact CE1-CG2 3.75Å; F743-I769 HydrophobicContact CZ-CG2 4.35Å; F743-E784 HydrophobicContact CE2-CB 4.5Å; F743-E784 HydrophobicContact CZ-CB 4.25Å; F743-E787 HydrophobicContact CE2-CB 4.26Å; F743-E787 HydrophobicContact CE2-CG 4.16Å; F743-A788 HydrophobicContact CZ-CB 3.92Å
744M91.3Very high89.4Confident131 Ų13148.4 Ų48.465%0.64524%0.236SC*.Hα-helixtrans-61.2-40.4179.4-70.617966.500112.1R740 V742 E747 K748R740-M744 WeakPolarHBondContact O-CG 3.38Å; R740-M744 PolarHBondContact O-N 3.05Å; V742-M744 PolarHBondContact O-N 3.4Å; M744-E747 PolarHBondContact O-N 3.05Å; M744-K748 WeakPolarHBondContact O-CB 3.4Å; M744-K748 PolarHBondContact O-N 2.81Å
745N89.6Confident88.5Confident12 Ų1254.3 Ų54.36%0.06426%0.261CS..Hα-helixtrans-74.7-33.9179.3-77-64.4000112.6F707 A741 V742 F743 K748 V749F707-N745 HydrophobicContact CE2-CB 4.13Å; F707-N745 HydrophobicContact CZ-CB 3.9Å; A741-N745 WeakPolarHBondContact O-CB 3.12Å; A741-N745 PolarHBondContact O-N 3.19Å; A741-N745 PolarHBondContact O-ND2 3Å; V742-N745 PolarHBondContact O-N 3Å; F743-N745 VanDerWaalsContact C-N 3.32Å; F743-N745 PolarHBondContact O-N 3.37Å; N745-K748 PolarHBondContact O-N 3.13Å; N745-V749 VanDerWaalsContact O-CB 3.28Å; N745-V749 WeakPolarHBondContact O-CB 3.43Å; N745-V749 VanDerWaalsContact O-CG2 3.3Å; N745-V749 WeakPolarHBondContact O-CG2 3.47Å; N745-V749 PolarHBondContact O-N 3.06Å
746V91Very high87.8Confident0 Ų054.6 Ų54.60%026%0.263CS..Hα-helixtrans-59.6-48.1170.1176.30000110L705 F707 V708 V742 F743 K748 V749 A750 M762 N765 F766 I769L705-V746 HydrophobicContact CD1-CB 4.4Å; L705-V746 HydrophobicContact CD1-CG1 4.4Å; L705-V746 HydrophobicContact CD1-CG2 4.06Å; F707-V746 HydrophobicContact CE2-CG2 3.68Å; F707-V746 HydrophobicContact CZ-CG2 3.95Å; V708-V746 HydrophobicContact CG2-CG2 3.98Å; V742-V746 HydrophobicContact CG1-CG2 4.2Å; V742-V746 VanDerWaalsContact O-CG2 3.28Å; V742-V746 WeakPolarHBondContact O-CG2 3.45Å; V742-V746 PolarHBondContact O-N 3.28Å; F743-V746 PolarHBondContact O-N 3.47Å; V746-K748 PolarHBondContact O-N 3.17Å; V746-V749 PolarHBondContact O-N 3.23Å; V746-A750 VanDerWaalsContact O-CB 3.32Å; V746-A750 WeakPolarHBondContact O-CB 3.4Å; V746-A750 PolarHBondContact O-N 3.05Å; V746-M762 HydrophobicContact CG1-SD 4.03Å; V746-N765 HydrophobicContact CG1-CB 3.77Å; V746-N765 HydrophobicContact CG2-CB 4.24Å; V746-F766 HydrophobicContact CG1-CD2 4.5Å; V746-F766 HydrophobicContact CG1-CE2 4.01Å; V746-I769 HydrophobicContact CG2-CD1 4.42Å
747E90.2Very high87.4Confident64 Ų6455 Ų5530%0.29927%0.267SS..Hα-helixtrans-60.4-43.8178.7-78.9171.7-160.200113F743 M744 A750 S751 M762 K791F743-E747 WeakPolarHBondContact O-CG 3.31Å; F743-E747 PolarHBondContact O-N 3.4Å; M744-E747 PolarHBondContact O-N 3.05Å; E747-A750 PolarHBondContact O-N 2.93Å; E747-S751 PolarHBondContact O-N 2.81Å; E747-S751 VanDerWaalsContact O-N 3.14Å; E747-S751 PolarHBondContact O-OG 3.1Å; E747-M762 HydrophobicContact CB-SD 4.45Å; E747-M762 HydrophobicContact CG-CE 3.46Å; E747-M762 VanDerWaalsContact CG-CE 3.46Å; E747-M762 HydrophobicContact CG-SD 3.89Å; E747-K791 IonicContact OE1-NZ 2.77Å; E747-K791 PolarHBondContact OE1-NZ 2.88Å
748K88.3Confident87.1Confident96 Ų9654.7 Ų54.742%0.41726%0.262SS..Hα-helixtrans-60.4-51.2175.7179.2-173.8173.7-168.20111.1M744 N745 V746 A750 S751 E752M744-K748 WeakPolarHBondContact O-CB 3.4Å; M744-K748 PolarHBondContact O-N 2.81Å; N745-K748 PolarHBondContact O-N 3.13Å; V746-K748 PolarHBondContact O-N 3.17Å; K748-A750 VanDerWaalsContact C-N 3.34Å; K748-A750 PolarHBondContact O-N 3.43Å; K748-S751 WeakPolarHBondContact O-CB 3.2Å; K748-S751 PolarHBondContact O-N 2.99Å; K748-S751 VanDerWaalsContact O-N 3.16Å; K748-E752 WeakPolarHBondContact CE-OE1 3.37Å; K748-E752 PolarHBondContact O-N 3Å; K748-E752 VanDerWaalsContact O-N 3.13Å
749V86.1Confident86.8Confident10 Ų1055.6 Ų55.66%0.06127%0.267CS..Hα-helixtrans-60-44.1178.8156.60000111.9I696 V702 L705 F707 N745 V746 S751 E752 S753 V761I696-V749 HydrophobicContact CD1-CB 4.14Å; I696-V749 HydrophobicContact CD1-CG1 3.18Å; I696-V749 HydrophobicContact CD1-CG2 3.84Å; I696-V749 HydrophobicContact CG1-CG1 4.23Å; I696-V749 HydrophobicContact CG1-CG2 4.23Å; V702-V749 HydrophobicContact CG1-CG1 4.37Å; L705-V749 HydrophobicContact CD1-CB 4.05Å; L705-V749 HydrophobicContact CD1-CG1 3.67Å; L705-V749 HydrophobicContact CD1-CG2 4.39Å; L705-V749 HydrophobicContact CD2-CG1 3.81Å; L705-V749 HydrophobicContact CG-CG1 4.39Å; F707-V749 HydrophobicContact CE1-CG2 4.36Å; N745-V749 VanDerWaalsContact O-CB 3.28Å; N745-V749 WeakPolarHBondContact O-CB 3.43Å; N745-V749 VanDerWaalsContact O-CG2 3.3Å; N745-V749 WeakPolarHBondContact O-CG2 3.47Å; N745-V749 PolarHBondContact O-N 3.06Å; V746-V749 PolarHBondContact O-N 3.23Å; V749-S751 PolarHBondContact O-N 3.17Å; V749-E752 PolarHBondContact O-N 2.96Å; V749-E752 VanDerWaalsContact O-N 3.1Å; V749-S753 PolarHBondContact O-N 2.88Å; V749-S753 VanDerWaalsContact O-N 3.13Å; V749-V761 HydrophobicContact CG1-CG1 4.38Å
750A86.4Confident86.4Confident1 Ų155.6 Ų55.61%0.00827%0.267CS..Hα-helixtrans-62.4-31.4179.700000111.6V746 E747 K748 R758 V761 M762V746-A750 VanDerWaalsContact O-CB 3.32Å; V746-A750 WeakPolarHBondContact O-CB 3.4Å; V746-A750 PolarHBondContact O-N 3.05Å; E747-A750 PolarHBondContact O-N 2.93Å; K748-A750 VanDerWaalsContact C-N 3.34Å; K748-A750 PolarHBondContact O-N 3.43Å; A750-R758 HydrophobicContact CB-CG 4Å; A750-V761 HydrophobicContact CB-CB 4.11Å; A750-V761 HydrophobicContact CB-CG1 4.02Å; A750-M762 HydrophobicContact CB-CG 3.66Å; A750-M762 HydrophobicContact CB-SD 3.66Å
751S85.4Confident86.2Confident84 Ų8448.8 Ų48.859%0.58724%0.241SC*.Hα-helixtrans-77-25.8176.1-53.80000113.4E747 K748 V749E747-S751 PolarHBondContact O-N 2.81Å; E747-S751 VanDerWaalsContact O-N 3.14Å; E747-S751 PolarHBondContact O-OG 3.1Å; K748-S751 WeakPolarHBondContact O-CB 3.2Å; K748-S751 PolarHBondContact O-N 2.99Å; K748-S751 VanDerWaalsContact O-N 3.16Å; V749-S751 PolarHBondContact O-N 3.17Å
752E84Confident86.1Confident110 Ų11048.3 Ų48.351%0.51424%0.237SC..Hα-helixtrans-87.1-14.2178.1-69.5179.6-167.100113.5K748 V749K748-E752 WeakPolarHBondContact CE-OE1 3.37Å; K748-E752 PolarHBondContact O-N 3Å; K748-E752 VanDerWaalsContact O-N 3.13Å; V749-E752 PolarHBondContact O-N 2.96Å; V749-E752 VanDerWaalsContact O-N 3.1Å
753S79.1Confident85.9Confident27 Ų2748.3 Ų48.319%0.18924%0.237CC..  trans-70.3126.3-179.61760000112.3V749 T756V749-S753 PolarHBondContact O-N 2.88Å; V749-S753 VanDerWaalsContact O-N 3.13Å; S753-T756 PolarHBondContact OG-N 2.94Å; S753-T756 PolarHBondContact OG-O 2.93Å
754Q74.2Confident85.7Confident153 Ų15348.1 Ų48.172%0.71524%0.236SC*.SBendtrans-101.9-26176.2-67.6-175.8-22.100113.9
755K74.8Confident85.7Confident130 Ų13041.9 Ų41.957%0.56521%0.205SC*.SBendtrans-97.2-34-171.9-172171177.5175.90113.3K699K699-K755 WeakPolarHBondContact O-CD 3.48Å; K699-K755 PolarHBondContact O-NZ 3.38Å
756T79.6Confident85.8Confident6 Ų641.3 Ų41.34%0.03720%0.202CC..SBendtrans-105.4132.4177.2-34.70000108V702 S753 V760 V761V702-T756 PolarHBondContact N-OG1 3.4Å; V702-T756 VanDerWaalsContact N-OG1 3.08Å; S753-T756 PolarHBondContact OG-N 2.94Å; S753-T756 PolarHBondContact OG-O 2.93Å; T756-V760 HydrophobicContact CG2-CB 4.18Å; T756-V760 HydrophobicContact CG2-CG1 4.03Å; T756-V761 HydrophobicContact CG2-CG2 3.88Å
757P83.3Confident85.8Confident42 Ų4243.3 Ų43.327%0.27321%0.211SC..  trans-56.6142.6177.2-22.632.4000111.8D759 V760 V761 Y799P757-D759 VanDerWaalsContact C-N 3.27Å; P757-D759 PolarHBondContact O-N 3.38Å; P757-V760 HydrophobicContact CB-CB 4.48Å; P757-V760 HydrophobicContact CB-CG2 4.01Å; P757-V760 HydrophobicContact CG-CG2 4.07Å; P757-V760 PolarHBondContact O-N 3.04Å; P757-V760 VanDerWaalsContact O-N 3.11Å; P757-V761 PolarHBondContact O-N 2.97Å; P757-Y799 HydrophobicContact CB-CE2 4.32Å; P757-Y799 HydrophobicContact CG-CE2 4.18Å
758R87.4Confident85.9Confident118 Ų11841.2 Ų41.245%0.44520%0.202SC..Hα-helixtrans-51.2-47.7178.8175.2-178.3172.5-105.12.4111.8A750 V760 V761 M762A750-R758 HydrophobicContact CB-CG 4Å; R758-V760 VanDerWaalsContact C-N 3.28Å; R758-V760 PolarHBondContact O-N 2.9Å; R758-V761 PolarHBondContact O-N 2.9Å; R758-M762 HydrophobicContact CG-CG 4.31Å; R758-M762 VanDerWaalsContact O-CG 3.27Å; R758-M762 WeakPolarHBondContact O-CG 3.28Å; R758-M762 PolarHBondContact O-N 3.14Å
759D86.6Confident86.1Confident21 Ų2136.8 Ų36.811%0.11218%0.182CC..Hα-helixtrans-65.7-30.5-175.9-58.8-49.9000112.6P757 M763 H795 Y799P757-D759 VanDerWaalsContact C-N 3.27Å; P757-D759 PolarHBondContact O-N 3.38Å; D759-M763 WeakPolarHBondContact O-CB 3.36Å; D759-M763 PolarHBondContact O-N 2.76Å; D759-H795 HydrophobicContact CB-CB 4.48Å; D759-H795 IonicContact OD1-CE1 3.93Å; D759-H795 IonicContact OD1-ND1 3.79Å; D759-H795 PolarHBondContact OD1-ND1 2.89Å; D759-Y799 HydrophobicContact CB-CD2 4.41Å; D759-Y799 HydrophobicContact CB-CG 4.5Å
760V86.9Confident86.4Confident0 Ų038.7 Ų38.70%019%0.19CC..Hα-helixtrans-69.2-47.4175.5177.30000110.8T756 P757 R758 M762 M763 E764 Y799 H868 L869T756-V760 HydrophobicContact CG2-CB 4.18Å; T756-V760 HydrophobicContact CG2-CG1 4.03Å; P757-V760 HydrophobicContact CB-CB 4.48Å; P757-V760 HydrophobicContact CB-CG2 4.01Å; P757-V760 HydrophobicContact CG-CG2 4.07Å; P757-V760 PolarHBondContact O-N 3.04Å; P757-V760 VanDerWaalsContact O-N 3.11Å; R758-V760 VanDerWaalsContact C-N 3.28Å; R758-V760 PolarHBondContact O-N 2.9Å; V760-M762 VanDerWaalsContact C-N 3.31Å; V760-M762 PolarHBondContact O-N 2.99Å; V760-M763 PolarHBondContact O-N 2.96Å; V760-E764 HydrophobicContact CG1-CG 4.36Å; V760-E764 WeakPolarHBondContact O-CG 3.29Å; V760-E764 PolarHBondContact O-N 3.38Å; V760-Y799 HydrophobicContact CG2-CD1 4.14Å; V760-Y799 HydrophobicContact CG2-CD2 3.48Å; V760-Y799 VanDerWaalsContact CG2-CD2 3.48Å; V760-Y799 HydrophobicContact CG2-CE1 3.87Å; V760-Y799 HydrophobicContact CG2-CE2 3.18Å; V760-Y799 HydrophobicContact CG2-CG 3.95Å; V760-H868 HydrophobicContact CG2-CB 4.42Å; V760-L869 HydrophobicContact CG1-CD2 3.95Å
761V87.3Confident86.6Confident0 Ų041.1 Ų41.10%021%0.207CC..Hα-helixtrans-61.4-43.4179.1179.30000110.6V702 V749 A750 T756 P757 R758 N765V702-V761 HydrophobicContact CB-CG2 4.07Å; V702-V761 HydrophobicContact CG1-CG1 4.07Å; V702-V761 HydrophobicContact CG1-CG2 4.21Å; V749-V761 HydrophobicContact CG1-CG1 4.38Å; A750-V761 HydrophobicContact CB-CB 4.11Å; A750-V761 HydrophobicContact CB-CG1 4.02Å; T756-V761 HydrophobicContact CG2-CG2 3.88Å; P757-V761 PolarHBondContact O-N 2.97Å; R758-V761 PolarHBondContact O-N 2.9Å; V761-N765 WeakPolarHBondContact O-CB 3.36Å; V761-N765 PolarHBondContact O-N 3.21Å; V761-N765 PolarHBondContact O-ND2 3.27Å
762M89.6Confident86.8Confident1 Ų137.2 Ų37.21%0.00518%0.18CC..Hα-helixtrans-62.6-51.4175.9-67.4-71.4-75.600110.7V746 E747 A750 R758 V760 E764 N765 F766 H795V746-M762 HydrophobicContact CG1-SD 4.03Å; E747-M762 HydrophobicContact CB-SD 4.45Å; E747-M762 HydrophobicContact CG-CE 3.46Å; E747-M762 VanDerWaalsContact CG-CE 3.46Å; E747-M762 HydrophobicContact CG-SD 3.89Å; A750-M762 HydrophobicContact CB-CG 3.66Å; A750-M762 HydrophobicContact CB-SD 3.66Å; R758-M762 HydrophobicContact CG-CG 4.31Å; R758-M762 VanDerWaalsContact O-CG 3.27Å; R758-M762 WeakPolarHBondContact O-CG 3.28Å; R758-M762 PolarHBondContact O-N 3.14Å; V760-M762 VanDerWaalsContact C-N 3.31Å; V760-M762 PolarHBondContact O-N 2.99Å; M762-E764 PolarHBondContact O-N 2.84Å; M762-N765 PolarHBondContact O-N 2.78Å; M762-F766 HydrophobicContact CB-CD2 4.29Å; M762-F766 HydrophobicContact CE-CD2 4.06Å; M762-F766 HydrophobicContact CE-CE2 3.36Å; M762-F766 HydrophobicContact CE-CZ 4.27Å; M762-F766 WeakPolarHBondContact O-CB 3.39Å; M762-F766 WeakPolarHBondContact O-CD2 3.26Å; M762-F766 PolarHBondContact O-N 2.88Å; M762-F766 HydrophobicContact SD-CD2 4.38Å; M762-F766 HydrophobicContact SD-CE2 3.77Å; M762-H795 HydrophobicContact CB-CB 4.06Å; M762-H795 WeakPolarHBondContact CE-NE2 3.49Å
763M89.2Confident87.2Confident0 Ų032.1 Ų32.10%016%0.156CC..Hα-helixtrans-58.1-51.2-177.9178.9-169.572.700112.3D759 V760 H767 Y792 H795 L796 L869 V879D759-M763 WeakPolarHBondContact O-CB 3.36Å; D759-M763 PolarHBondContact O-N 2.76Å; V760-M763 PolarHBondContact O-N 2.96Å; M763-H767 VanDerWaalsContact O-CB 3.28Å; M763-H767 WeakPolarHBondContact O-CB 3.37Å; M763-H767 PolarHBondContact O-N 3.2Å; M763-Y792 HydrophobicContact CG-CD2 3.66Å; M763-Y792 HydrophobicContact CG-CE2 3.6Å; M763-Y792 WeakPolarHBondContact O-CD2 3.38Å; M763-H795 HydrophobicContact CB-CB 4.43Å; M763-L796 HydrophobicContact CG-CB 4.1Å; M763-L796 HydrophobicContact SD-CB 3.84Å; M763-L796 HydrophobicContact SD-CD1 3.38Å; M763-L796 WeakPolarHBondContact SD-CD1 3.33Å; M763-L796 HydrophobicContact SD-CG 4.19Å; M763-L869 HydrophobicContact CE-CD2 3.48Å; M763-L869 VanDerWaalsContact CE-CD2 3.48Å; M763-V879 HydrophobicContact CE-CG2 3.66Å; M763-V879 HydrophobicContact SD-CG2 3.86Å
764E88.8Confident87.8Confident4 Ų432.3 Ų32.32%0.01916%0.158CC..Hα-helixtrans-62.7-47.9-178.9-68.3-172154.400111.6V760 M762 H767 H768 L869 C870 L875V760-E764 HydrophobicContact CG1-CG 4.36Å; V760-E764 WeakPolarHBondContact O-CG 3.29Å; V760-E764 PolarHBondContact O-N 3.38Å; M762-E764 PolarHBondContact O-N 2.84Å; E764-H767 PolarHBondContact O-N 2.96Å; E764-H768 PolarHBondContact O-N 3.43Å; E764-L869 HydrophobicContact CG-CD2 4.26Å; E764-L869 WeakPolarHBondContact OE1-CA 3.29Å; E764-L869 WeakPolarHBondContact OE1-CD2 3.35Å; E764-C870 PolarHBondContact OE1-N 3.12Å; E764-L875 HydrophobicContact CG-CD1 4.15Å
765N91.4Very high88.6Confident0 Ų030.9 Ų30.90%015%0.145CC..Hα-helixtrans-68.7-39.8-177.6-75.5-88.1000112.4G703 L705 V746 V761 M762 H767 H768 I769G703-N765 PolarHBondContact O-ND2 2.99Å; L705-N765 WeakPolarHBondContact CB-OD1 3.31Å; L705-N765 VanDerWaalsContact CG-OD1 3.32Å; L705-N765 WeakPolarHBondContact CG-OD1 3.37Å; L705-N765 PolarHBondContact N-OD1 2.81Å; V746-N765 HydrophobicContact CG1-CB 3.77Å; V746-N765 HydrophobicContact CG2-CB 4.24Å; V761-N765 WeakPolarHBondContact O-CB 3.36Å; V761-N765 PolarHBondContact O-N 3.21Å; V761-N765 PolarHBondContact O-ND2 3.27Å; M762-N765 PolarHBondContact O-N 2.78Å; N765-H767 VanDerWaalsContact C-N 3.34Å; N765-H768 PolarHBondContact O-N 2.83Å; N765-I769 WeakPolarHBondContact O-CB 3.47Å; N765-I769 WeakPolarHBondContact O-CD1 3.25Å; N765-I769 WeakPolarHBondContact O-CG1 3.22Å; N765-I769 PolarHBondContact O-N 3.38Å
766F93.1Very high89.2Confident0 Ų026.5 Ų26.50%013%0.128CC..Hα-helixtrans-71.1-29.1175.9-79.6-69.5000112.7F743 V746 M762 I769 F770 A788 K791F743-F766 HydrophobicContact CB-CE1 4.35Å; F743-F766 HydrophobicContact CB-CZ 4.33Å; F743-F766 AromaticContact CD1-CE1 3.66Å; F743-F766 HydrophobicContact CD1-CE1 3.66Å; F743-F766 HydrophobicContact CD1-CZ 4.38Å; F743-F766 AromaticContact CD2-CE1 3.89Å; F743-F766 HydrophobicContact CD2-CE1 3.89Å; F743-F766 HydrophobicContact CD2-CZ 4.49Å; F743-F766 HydrophobicContact CE1-CD1 4.37Å; F743-F766 AromaticContact CE1-CE1 3.87Å; F743-F766 HydrophobicContact CE1-CE1 3.87Å; F743-F766 HydrophobicContact CE2-CE1 4.06Å; F743-F766 AromaticContact CG-CE1 3.69Å; F743-F766 HydrophobicContact CG-CE1 3.69Å; F743-F766 HydrophobicContact CG-CZ 4.15Å; F743-F766 HydrophobicContact CZ-CE1 4.06Å; V746-F766 HydrophobicContact CG1-CD2 4.5Å; V746-F766 HydrophobicContact CG1-CE2 4.01Å; M762-F766 HydrophobicContact CB-CD2 4.29Å; M762-F766 HydrophobicContact CE-CD2 4.06Å; M762-F766 HydrophobicContact CE-CE2 3.36Å; M762-F766 HydrophobicContact CE-CZ 4.27Å; M762-F766 WeakPolarHBondContact O-CB 3.39Å; M762-F766 WeakPolarHBondContact O-CD2 3.26Å; M762-F766 PolarHBondContact O-N 2.88Å; M762-F766 HydrophobicContact SD-CD2 4.38Å; M762-F766 HydrophobicContact SD-CE2 3.77Å; F766-I769 HydrophobicContact CD1-CD1 4.28Å; F766-I769 HydrophobicContact CE1-CD1 4.5Å; F766-F770 VanDerWaalsContact O-CB 3.25Å; F766-F770 WeakPolarHBondContact O-CB 3.39Å; F766-F770 PolarHBondContact O-N 3.39Å; F766-A788 HydrophobicContact CD1-CB 4.09Å; F766-K791 HydrophobicContact CD1-CB 4.12Å; F766-K791 HydrophobicContact CD1-CD 4.29Å; F766-K791 HydrophobicContact CD2-CB 4.08Å; F766-K791 HydrophobicContact CE1-CB 4.36Å; F766-K791 HydrophobicContact CE1-CD 3.68Å; F766-K791 HydrophobicContact CE2-CB 4.38Å; F766-K791 HydrophobicContact CE2-CD 4.06Å; F766-K791 HydrophobicContact CG-CB 3.98Å; F766-K791 HydrophobicContact CZ-CB 4.5Å; F766-K791 HydrophobicContact CZ-CD 3.56Å
767H91.2Very high89.7Confident42 Ų4234.1 Ų34.119%0.19416%0.161CC..Hα-helixtrans-63.6-50.3170.2-173.278.5000110.9M763 E764 N765 I769 F770 S771 Y792 E873 L875M763-H767 VanDerWaalsContact O-CB 3.28Å; M763-H767 WeakPolarHBondContact O-CB 3.37Å; M763-H767 PolarHBondContact O-N 3.2Å; E764-H767 PolarHBondContact O-N 2.96Å; N765-H767 VanDerWaalsContact C-N 3.34Å; H767-I769 PolarHBondContact O-N 3.34Å; H767-F770 WeakPolarHBondContact O-CB 3.44Å; H767-F770 PolarHBondContact O-N 2.96Å; H767-F770 VanDerWaalsContact O-N 3.14Å; H767-S771 WeakPolarHBondContact O-CB 3.35Å; H767-S771 PolarHBondContact O-N 2.89Å; H767-Y792 HydrophobicContact CB-CD2 3.67Å; H767-Y792 HydrophobicContact CB-CE2 3.79Å; H767-Y792 HydrophobicContact CB-CG 4.35Å; H767-Y792 AromaticContact CG-CE2 3.99Å; H767-Y792 AromaticContact ND1-CE1 3.88Å; H767-Y792 AromaticContact ND1-CE2 3.58Å; H767-Y792 AromaticContact ND1-CZ 3.49Å; H767-E873 IonicContact CD2-OE1 2.91Å; H767-E873 IonicContact CD2-OE2 2.93Å; H767-E873 PolarHBondContact CD2-OE2 2.73Å; H767-E873 VanDerWaalsContact CD2-OE2 3.24Å; H767-E873 IonicContact CG-OE2 3.02Å; H767-L875 HydrophobicContact CB-CD1 4.15Å
768H90.8Very high89.8Confident21 Ų2132.4 Ų32.410%0.09715%0.149CC..Hα-helixtrans-58.2-50.2178.7-169.162.1000111.7I704 E712 E764 N765 F770 S771 T772 E873I704-H768 HydrophobicContact CD1-CB 4.38Å; E712-H768 IonicContact OE2-CE1 3.9Å; E712-H768 IonicContact OE2-NE2 3.6Å; E712-H768 PolarHBondContact OE2-NE2 3.04Å; E764-H768 PolarHBondContact O-N 3.43Å; N765-H768 PolarHBondContact O-N 2.83Å; H768-F770 VanDerWaalsContact C-N 3.31Å; H768-F770 PolarHBondContact O-N 3.46Å; H768-S771 WeakPolarHBondContact O-CB 3.47Å; H768-S771 PolarHBondContact O-N 3.49Å; H768-S771 VanDerWaalsContact O-N 3.1Å; H768-T772 PolarHBondContact O-N 3.29Å; H768-T772 PolarHBondContact O-OG1 3.32Å; H768-T772 VanDerWaalsContact O-OG1 3.1Å; H768-E873 WeakPolarHBondContact CA-OE1 3.3Å; H768-E873 WeakPolarHBondContact CB-OE1 3.41Å; H768-E873 IonicContact CE1-OE1 2.83Å; H768-E873 IonicContact CG-OE1 2.79Å; H768-E873 VanDerWaalsContact CG-OE1 3.32Å; H768-E873 IonicContact ND1-OE1 3.58Å; H768-E873 PolarHBondContact ND1-OE1 2.89Å
769I92.6Very high89.8Confident2 Ų231.1 Ų31.11%0.0116%0.158CC..Hα-helixtrans-54.1-47.5174.1-71.2167000111.3V708 I739 V742 F743 V746 N765 F766 H767 S771 T772 L773 A788V708-I769 HydrophobicContact CG1-CD1 4.16Å; V708-I769 HydrophobicContact CG1-CG1 3.5Å; V708-I769 VanDerWaalsContact CG1-CG1 3.5Å; V708-I769 HydrophobicContact CG2-CD1 4.5Å; I739-I769 HydrophobicContact CD1-CG2 4.05Å; V742-I769 HydrophobicContact CG1-CD1 3.73Å; V742-I769 HydrophobicContact CG1-CG1 4.44Å; F743-I769 HydrophobicContact CD1-CD1 4.2Å; F743-I769 HydrophobicContact CE1-CD1 4.12Å; F743-I769 HydrophobicContact CE1-CG2 3.75Å; F743-I769 HydrophobicContact CZ-CG2 4.35Å; V746-I769 HydrophobicContact CG2-CD1 4.42Å; N765-I769 WeakPolarHBondContact O-CB 3.47Å; N765-I769 WeakPolarHBondContact O-CD1 3.25Å; N765-I769 WeakPolarHBondContact O-CG1 3.22Å; N765-I769 PolarHBondContact O-N 3.38Å; F766-I769 HydrophobicContact CD1-CD1 4.28Å; F766-I769 HydrophobicContact CE1-CD1 4.5Å; H767-I769 PolarHBondContact O-N 3.34Å; I769-S771 VanDerWaalsContact C-N 3.33Å; I769-S771 PolarHBondContact O-N 2.98Å; I769-T772 PolarHBondContact O-N 2.96Å; I769-L773 HydrophobicContact CG2-CD1 3.9Å; I769-L773 HydrophobicContact CG2-CG 4.35Å; I769-L773 WeakPolarHBondContact O-CB 3.49Å; I769-L773 VanDerWaalsContact O-CG 3.27Å; I769-L773 WeakPolarHBondContact O-CG 3.18Å; I769-L773 PolarHBondContact O-N 3.08Å; I769-A788 HydrophobicContact CG2-CB 3.93Å
770F92.5Very high90Very high50 Ų5031.9 Ų31.922%0.21917%0.165CC..Hα-helixtrans-62.7-40.9179.3169.3-103000111.9F766 H767 H768 S774 R785 A788 K789F766-F770 VanDerWaalsContact O-CB 3.25Å; F766-F770 WeakPolarHBondContact O-CB 3.39Å; F766-F770 PolarHBondContact O-N 3.39Å; H767-F770 WeakPolarHBondContact O-CB 3.44Å; H767-F770 PolarHBondContact O-N 2.96Å; H767-F770 VanDerWaalsContact O-N 3.14Å; H768-F770 VanDerWaalsContact C-N 3.31Å; H768-F770 PolarHBondContact O-N 3.46Å; F770-S774 WeakPolarHBondContact CE2-OG 3.47Å; F770-S774 WeakPolarHBondContact CZ-OG 3.35Å; F770-S774 WeakPolarHBondContact O-CB 3.46Å; F770-S774 PolarHBondContact O-N 3.24Å; F770-S774 PolarHBondContact O-OG 2.89Å; F770-R785 HydrophobicContact CD2-CG 3.91Å; F770-R785 HydrophobicContact CE2-CG 4.04Å; F770-A788 HydrophobicContact CB-CB 4.25Å; F770-K789 HydrophobicContact CD2-CB 3.69Å; F770-K789 HydrophobicContact CD2-CG 4.32Å; F770-K789 HydrophobicContact CE2-CB 3.82Å; F770-K789 HydrophobicContact CE2-CD 3.91Å; F770-K789 HydrophobicContact CE2-CG 4.1Å; F770-K789 HydrophobicContact CG-CB 4.31Å; F770-K789 HydrophobicContact CZ-CD 4Å; F770-K789 HydrophobicContact CZ-CG 4.34Å
771S90.9Very high90.3Very high52 Ų5231.9 Ų31.936%0.36417%0.165SC..Hα-helixtrans-62-51.3176.5-1720000110.9H767 H768 I769 L773 S774 R775H767-S771 WeakPolarHBondContact O-CB 3.35Å; H767-S771 PolarHBondContact O-N 2.89Å; H768-S771 WeakPolarHBondContact O-CB 3.47Å; H768-S771 PolarHBondContact O-N 3.49Å; H768-S771 VanDerWaalsContact O-N 3.1Å; I769-S771 VanDerWaalsContact C-N 3.33Å; I769-S771 PolarHBondContact O-N 2.98Å; S771-L773 PolarHBondContact O-N 2.87Å; S771-S774 PolarHBondContact O-N 3.42Å; S771-R775 WeakPolarHBondContact O-CB 3.4Å; S771-R775 PolarHBondContact O-N 3.34Å
772T89.7Confident90.4Very high2 Ų234.8 Ų34.81%0.01218%0.18CC..Hα-helixtrans-57.6-51.2176.6-56.20000111.7E712 H768 I769 S774 R775 L776E712-T772 HydrophobicContact CB-CG2 3.73Å; E712-T772 HydrophobicContact CG-CG2 3.61Å; E712-T772 WeakPolarHBondContact OE1-CG2 3.44Å; E712-T772 PolarHBondContact OE1-OG1 2.94Å; H768-T772 PolarHBondContact O-N 3.29Å; H768-T772 PolarHBondContact O-OG1 3.32Å; H768-T772 VanDerWaalsContact O-OG1 3.1Å; I769-T772 PolarHBondContact O-N 2.96Å; T772-S774 VanDerWaalsContact C-N 3.29Å; T772-S774 PolarHBondContact O-N 2.89Å; T772-R775 PolarHBondContact O-N 2.9Å; T772-L776 HydrophobicContact CG2-CD1 3.91Å; T772-L776 HydrophobicContact CG2-CG 4.43Å; T772-L776 WeakPolarHBondContact O-CG 3.49Å; T772-L776 PolarHBondContact O-N 3.47Å
773L92.1Very high90.6Very high3 Ų337.3 Ų37.32%0.01620%0.201CC..Hα-helixtrans-64.2-33.7179.6-67.9179.9000112.4F711 I739 I769 S771 K777 L781 R785F711-L773 HydrophobicContact CE1-CD2 4.23Å; I739-L773 HydrophobicContact CD1-CD1 4.36Å; I769-L773 HydrophobicContact CG2-CD1 3.9Å; I769-L773 HydrophobicContact CG2-CG 4.35Å; I769-L773 WeakPolarHBondContact O-CB 3.49Å; I769-L773 VanDerWaalsContact O-CG 3.27Å; I769-L773 WeakPolarHBondContact O-CG 3.18Å; I769-L773 PolarHBondContact O-N 3.08Å; S771-L773 PolarHBondContact O-N 2.87Å; L773-K777 PolarHBondContact O-N 2.88Å; L773-L781 HydrophobicContact CD2-CB 4.24Å; L773-L781 HydrophobicContact CD2-CD1 3.57Å; L773-R785 HydrophobicContact CB-CB 4.16Å; L773-R785 HydrophobicContact CB-CG 4.04Å; L773-R785 HydrophobicContact CD1-CB 4.11Å
774S91.3Very high90.8Very high32 Ų3238 Ų3822%0.22420%0.204CC..Hα-helixtrans-72.8-33.4176.5-63.80000112.8F770 S771 T772 K777F770-S774 WeakPolarHBondContact CE2-OG 3.47Å; F770-S774 WeakPolarHBondContact CZ-OG 3.35Å; F770-S774 WeakPolarHBondContact O-CB 3.46Å; F770-S774 PolarHBondContact O-N 3.24Å; F770-S774 PolarHBondContact O-OG 2.89Å; S771-S774 PolarHBondContact O-N 3.42Å; T772-S774 VanDerWaalsContact C-N 3.29Å; T772-S774 PolarHBondContact O-N 2.89Å; S774-K777 VanDerWaalsContact O-CG 3.26Å; S774-K777 WeakPolarHBondContact O-CG 3.37Å
775R92.3Very high91Very high122 Ų12241.4 Ų41.446%0.4622%0.217SC..Hα-helixtrans-72.3-46.9176.7-175.9172.161.379.1-0.5111.7E712 E716 S771 T772E712-R775 IonicContact OE1-CZ 3.89Å; E712-R775 IonicContact OE1-NE 3.99Å; E712-R775 IonicContact OE1-NH2 3.84Å; E712-R775 PolarHBondContact OE1-NH2 3.24Å; E716-R775 IonicContact OE1-CZ 3.88Å; E716-R775 IonicContact OE1-NH1 3.89Å; E716-R775 PolarHBondContact OE1-NH1 3.47Å; E716-R775 IonicContact OE1-NH2 3.24Å; E716-R775 PolarHBondContact OE1-NH2 2.93Å; S771-R775 WeakPolarHBondContact O-CB 3.4Å; S771-R775 PolarHBondContact O-N 3.34Å; T772-R775 PolarHBondContact O-N 2.9Å
776L87.7Confident91.1Very high38 Ų3849.7 Ų49.720%0.19925%0.248CC..Hα-helixtrans-76.6-23.6-179-62.1-179.7000113.5A715 E716 T772 I778A715-L776 HydrophobicContact CB-CD1 3.5Å; A715-L776 VanDerWaalsContact CB-CD1 3.5Å; E716-L776 HydrophobicContact CG-CD1 4.36Å; E716-L776 HydrophobicContact CG-CD2 3.82Å; T772-L776 HydrophobicContact CG2-CD1 3.91Å; T772-L776 HydrophobicContact CG2-CG 4.43Å; T772-L776 WeakPolarHBondContact O-CG 3.49Å; T772-L776 PolarHBondContact O-N 3.47Å; L776-I778 HydrophobicContact CB-CD1 4.14Å; L776-I778 HydrophobicContact CB-CG1 3.85Å; L776-I778 HydrophobicContact CD1-CD1 4.22Å; L776-I778 PolarHBondContact O-N 3.44Å
777K88.5Confident91.2Very high166 Ų16653.6 Ų53.672%0.72227%0.266SS*.THydrogen-bonded Turntrans5347.7177.9-60.4-177-180177.10113.6L773 S774 S779L773-K777 PolarHBondContact O-N 2.88Å; S774-K777 VanDerWaalsContact O-CG 3.26Å; S774-K777 WeakPolarHBondContact O-CG 3.37Å; K777-S779 PolarHBondContact O-N 3.15Å
778I87.1Confident91.3Very high6 Ų651.6 Ų51.63%0.03126%0.257CS..  trans-75.8113179.4-52.2178.3000109.3A715 E719 Y735 L776 C780 L781A715-I778 HydrophobicContact CB-CD1 4.29Å; E719-I778 HydrophobicContact CG-CD1 4.22Å; E719-I778 HydrophobicContact CG-CG1 4.24Å; E719-I778 WeakPolarHBondContact OE1-CD1 3.48Å; E719-I778 WeakPolarHBondContact OE1-CG1 3.16Å; Y735-I778 HydrophobicContact CD2-CG2 4.21Å; Y735-I778 HydrophobicContact CE1-CD1 4.12Å; Y735-I778 HydrophobicContact CE2-CD1 4.34Å; Y735-I778 HydrophobicContact CE2-CG2 4.28Å; L776-I778 HydrophobicContact CB-CD1 4.14Å; L776-I778 HydrophobicContact CB-CG1 3.85Å; L776-I778 HydrophobicContact CD1-CD1 4.22Å; L776-I778 PolarHBondContact O-N 3.44Å; I778-C780 VanDerWaalsContact CG2-SG 3.55Å; I778-C780 PolarHBondContact O-N 2.87Å; I778-L781 HydrophobicContact CB-CB 4.37Å; I778-L781 HydrophobicContact CB-CD1 4.4Å; I778-L781 HydrophobicContact CB-CG 4.47Å; I778-L781 HydrophobicContact CD1-CD1 4.21Å; I778-L781 HydrophobicContact CG2-CB 4.4Å; I778-L781 HydrophobicContact CG2-CD1 4.24Å; I778-L781 HydrophobicContact CG2-CG 4.09Å; I778-L781 PolarHBondContact O-N 2.98Å
779S86.6Confident91.4Very high91 Ų9155.9 Ų55.964%0.63628%0.276SS*.G310 helixtrans-62.7-37.4-172.354.40000113.9K777 L781 D782K777-S779 PolarHBondContact O-N 3.15Å; S779-L781 PolarHBondContact O-N 2.95Å; S779-D782 PolarHBondContact O-N 3.26Å
780C91.1Very high91.5Very high37 Ų3762 Ų6225%0.2530%0.304CS..G310 helixtrans-71.4-13.4-179.465.40000113.7D732 I778D732-C780 HydrophobicContact CB-CB 3.89Å; D732-C780 PolarHBondContact OD1-SG 3.39Å; I778-C780 VanDerWaalsContact CG2-SG 3.55Å; I778-C780 PolarHBondContact O-N 2.87Å
781L92Very high91.5Very high1 Ų161.4 Ų61.41%0.00530%0.301CS..G310 helixtrans-106.115.6-179.3-64.3-174.7000113.4F711 Y735 V736 I739 L773 I778 S779 A783 E784 R785F711-L781 HydrophobicContact CZ-CD1 4.23Å; Y735-L781 HydrophobicContact CD1-CD1 4.15Å; Y735-L781 HydrophobicContact CG-CD1 4.17Å; V736-L781 HydrophobicContact CG2-CD2 4.2Å; I739-L781 HydrophobicContact CB-CD2 4.43Å; I739-L781 HydrophobicContact CG2-CD2 3.77Å; L773-L781 HydrophobicContact CD2-CB 4.24Å; L773-L781 HydrophobicContact CD2-CD1 3.57Å; I778-L781 HydrophobicContact CB-CB 4.37Å; I778-L781 HydrophobicContact CB-CD1 4.4Å; I778-L781 HydrophobicContact CB-CG 4.47Å; I778-L781 HydrophobicContact CD1-CD1 4.21Å; I778-L781 HydrophobicContact CG2-CB 4.4Å; I778-L781 HydrophobicContact CG2-CD1 4.24Å; I778-L781 HydrophobicContact CG2-CG 4.09Å; I778-L781 PolarHBondContact O-N 2.98Å; S779-L781 PolarHBondContact O-N 2.95Å; L781-A783 VanDerWaalsContact C-N 3.28Å; L781-A783 PolarHBondContact O-N 3.47Å; L781-E784 PolarHBondContact O-N 2.73Å; L781-R785 WeakPolarHBondContact O-CB 3.45Å; L781-R785 PolarHBondContact O-N 3.47Å
782D90.9Very high91.6Very high61 Ų6160.1 Ų60.133%0.32629%0.289SS..Hα-helixtrans-64.7-28.9-178.5-93.4-31.7000114.2S779 R785 R786S779-D782 PolarHBondContact O-N 3.26Å; D782-R785 IonicContact OD1-CZ 3.76Å; D782-R785 VanDerWaalsContact OD1-CZ 3.22Å; D782-R785 IonicContact OD1-NE 3.33Å; D782-R785 PolarHBondContact OD1-NE 2.89Å; D782-R785 IonicContact OD1-NH2 2.64Å; D782-R785 PolarHBondContact OD1-NH2 3.35Å; D782-R786 PolarHBondContact O-N 3.19Å; D782-R786 PolarHBondContact O-NE 3Å
783A92.8Very high91.6Very high53 Ų5362.8 Ų62.844%0.43831%0.305SS..Hα-helixtrans-70.9-49.6174.500000110.3L781 R785 R786 E787L781-A783 VanDerWaalsContact C-N 3.28Å; L781-A783 PolarHBondContact O-N 3.47Å; A783-R785 VanDerWaalsContact C-N 3.3Å; A783-R785 PolarHBondContact O-N 2.87Å; A783-R786 PolarHBondContact O-N 2.93Å; A783-R786 VanDerWaalsContact O-N 3.12Å; A783-E787 PolarHBondContact O-N 3.12Å
784E93.3Very high91.6Very high14 Ų1466.7 Ų66.77%0.06533%0.326CS..Hα-helixtrans-65.3-33.3179.5-68.582.7175.600111.8I739 R740 F743 L781 E787 A788I739-E784 HydrophobicContact CG1-CB 4.25Å; I739-E784 HydrophobicContact CG2-CB 4.21Å; I739-E784 HydrophobicContact CG2-CG 3.75Å; R740-E784 IonicContact NH2-OE1 3.5Å; F743-E784 HydrophobicContact CE2-CB 4.5Å; F743-E784 HydrophobicContact CZ-CB 4.25Å; L781-E784 PolarHBondContact O-N 2.73Å; E784-E787 PolarHBondContact O-N 3.32Å; E784-A788 WeakPolarHBondContact O-CB 3.32Å; E784-A788 PolarHBondContact O-N 2.95Å
785R93.7Very high91.6Very high76 Ų7665.9 Ų65.929%0.28732%0.319SS..Hα-helixtrans-61.7-44171.2-176.9177.862.6149.1-3.6112F770 L773 L781 D782 A783 K789F770-R785 HydrophobicContact CD2-CG 3.91Å; F770-R785 HydrophobicContact CE2-CG 4.04Å; L773-R785 HydrophobicContact CB-CB 4.16Å; L773-R785 HydrophobicContact CB-CG 4.04Å; L773-R785 HydrophobicContact CD1-CB 4.11Å; L781-R785 WeakPolarHBondContact O-CB 3.45Å; L781-R785 PolarHBondContact O-N 3.47Å; D782-R785 IonicContact OD1-CZ 3.76Å; D782-R785 VanDerWaalsContact OD1-CZ 3.22Å; D782-R785 IonicContact OD1-NE 3.33Å; D782-R785 PolarHBondContact OD1-NE 2.89Å; D782-R785 IonicContact OD1-NH2 2.64Å; D782-R785 PolarHBondContact OD1-NH2 3.35Å; A783-R785 VanDerWaalsContact C-N 3.3Å; A783-R785 PolarHBondContact O-N 2.87Å; R785-K789 PolarHBondContact O-N 3Å; R785-K789 VanDerWaalsContact O-N 3.11Å
786R93.4Very high91.4Very high175 Ų17560.7 Ų60.766%0.6630%0.3SS*.Hα-helixtrans-67.3-39.1175.9-75.6-176.4-72.6147.7-5.7111.6D782 A783 K789 H790D782-R786 PolarHBondContact O-N 3.19Å; D782-R786 PolarHBondContact O-NE 3Å; A783-R786 PolarHBondContact O-N 2.93Å; A783-R786 VanDerWaalsContact O-N 3.12Å; R786-K789 PolarHBondContact O-N 3.05Å; R786-H790 PolarHBondContact O-N 3.2Å
787E94.2Very high91.4Very high81 Ų8161.7 Ų61.738%0.37930%0.303SS..Hα-helixtrans-63-45.8174.8-169.7-173.5157.600111.7F743 A783 E784 K789 H790 K791F743-E787 HydrophobicContact CE2-CB 4.26Å; F743-E787 HydrophobicContact CE2-CG 4.16Å; A783-E787 PolarHBondContact O-N 3.12Å; E784-E787 PolarHBondContact O-N 3.32Å; E787-K789 VanDerWaalsContact C-N 3.33Å; E787-K789 PolarHBondContact O-N 3.09Å; E787-H790 WeakPolarHBondContact O-CB 3.23Å; E787-H790 PolarHBondContact O-N 3.11Å; E787-H790 VanDerWaalsContact O-N 3.12Å; E787-K791 HydrophobicContact CG-CD 4.46Å; E787-K791 PolarHBondContact O-N 3.19Å; E787-K791 VanDerWaalsContact OE1-CE 3.24Å; E787-K791 WeakPolarHBondContact OE1-CE 3.43Å; E787-K791 IonicContact OE1-NZ 3.89Å; E787-K791 PolarHBondContact OE1-NZ 3.13Å
788A93.6Very high91.3Very high0 Ų055.6 Ų55.60%028%0.282CS..Hα-helixtrans-58.5-44.1175.700000111.6F743 F766 I769 F770 E784 H790 K791 Y792F743-A788 HydrophobicContact CZ-CB 3.92Å; F766-A788 HydrophobicContact CD1-CB 4.09Å; I769-A788 HydrophobicContact CG2-CB 3.93Å; F770-A788 HydrophobicContact CB-CB 4.25Å; E784-A788 WeakPolarHBondContact O-CB 3.32Å; E784-A788 PolarHBondContact O-N 2.95Å; A788-H790 VanDerWaalsContact C-N 3.34Å; A788-H790 PolarHBondContact O-N 3.32Å; A788-K791 PolarHBondContact O-N 3.28Å; A788-Y792 VanDerWaalsContact O-CB 3.27Å; A788-Y792 WeakPolarHBondContact O-CB 3.36Å; A788-Y792 PolarHBondContact O-N 2.67Å
789K93.5Very high91.3Very high112 Ų11255.6 Ų55.649%0.48728%0.281SS..Hα-helixtrans-60.6-42.9174.6-172.2179.1178.7179.40112.1F770 R785 R786 E787 T793F770-K789 HydrophobicContact CD2-CB 3.69Å; F770-K789 HydrophobicContact CD2-CG 4.32Å; F770-K789 HydrophobicContact CE2-CB 3.82Å; F770-K789 HydrophobicContact CE2-CD 3.91Å; F770-K789 HydrophobicContact CE2-CG 4.1Å; F770-K789 HydrophobicContact CG-CB 4.31Å; F770-K789 HydrophobicContact CZ-CD 4Å; F770-K789 HydrophobicContact CZ-CG 4.34Å; R785-K789 PolarHBondContact O-N 3Å; R785-K789 VanDerWaalsContact O-N 3.11Å; R786-K789 PolarHBondContact O-N 3.05Å; E787-K789 VanDerWaalsContact C-N 3.33Å; E787-K789 PolarHBondContact O-N 3.09Å; K789-T793 WeakPolarHBondContact O-CB 3.32Å; K789-T793 PolarHBondContact O-N 2.89Å; K789-T793 PolarHBondContact O-OG1 2.89Å
790H94.2Very high91.2Very high129 Ų12951.3 Ų51.360%0.59725%0.251SS*.Hα-helixtrans-64.3-50178.7-177.559.5000111.2R786 E787 A788 Y792 T793 D794R786-H790 PolarHBondContact O-N 3.2Å; E787-H790 WeakPolarHBondContact O-CB 3.23Å; E787-H790 PolarHBondContact O-N 3.11Å; E787-H790 VanDerWaalsContact O-N 3.12Å; A788-H790 VanDerWaalsContact C-N 3.34Å; A788-H790 PolarHBondContact O-N 3.32Å; H790-Y792 PolarHBondContact O-N 2.65Å; H790-T793 PolarHBondContact O-N 3.15Å; H790-T793 VanDerWaalsContact O-N 3.15Å; H790-D794 WeakPolarHBondContact O-CB 3.24Å; H790-D794 PolarHBondContact O-N 3.44Å
791K92.3Very high90.8Very high39 Ų3953.2 Ų53.217%0.1726%0.258CS..Hα-helixtrans-59.9-42.4176-73.7-175.3175.9175.30112.4E747 F766 E787 A788 T793 D794 H795E747-K791 IonicContact OE1-NZ 2.77Å; E747-K791 PolarHBondContact OE1-NZ 2.88Å; F766-K791 HydrophobicContact CD1-CB 4.12Å; F766-K791 HydrophobicContact CD1-CD 4.29Å; F766-K791 HydrophobicContact CD2-CB 4.08Å; F766-K791 HydrophobicContact CE1-CB 4.36Å; F766-K791 HydrophobicContact CE1-CD 3.68Å; F766-K791 HydrophobicContact CE2-CB 4.38Å; F766-K791 HydrophobicContact CE2-CD 4.06Å; F766-K791 HydrophobicContact CG-CB 3.98Å; F766-K791 HydrophobicContact CZ-CB 4.5Å; F766-K791 HydrophobicContact CZ-CD 3.56Å; E787-K791 HydrophobicContact CG-CD 4.46Å; E787-K791 PolarHBondContact O-N 3.19Å; E787-K791 VanDerWaalsContact OE1-CE 3.24Å; E787-K791 WeakPolarHBondContact OE1-CE 3.43Å; E787-K791 IonicContact OE1-NZ 3.89Å; E787-K791 PolarHBondContact OE1-NZ 3.13Å; A788-K791 PolarHBondContact O-N 3.28Å; K791-T793 PolarHBondContact O-N 2.91Å; K791-D794 PolarHBondContact O-N 2.76Å; K791-H795 WeakPolarHBondContact O-CB 3.32Å; K791-H795 PolarHBondContact O-CD2 3.2Å; K791-H795 PolarHBondContact O-N 3.13Å
792Y92.6Very high90.2Very high25 Ų2558.2 Ų58.210%0.09829%0.285CS..Hα-helixtrans-56.2-49.9172.8161.3-110.7000111.4M763 H767 A788 H790 L796M763-Y792 HydrophobicContact CG-CD2 3.66Å; M763-Y792 HydrophobicContact CG-CE2 3.6Å; M763-Y792 WeakPolarHBondContact O-CD2 3.38Å; H767-Y792 HydrophobicContact CB-CD2 3.67Å; H767-Y792 HydrophobicContact CB-CE2 3.79Å; H767-Y792 HydrophobicContact CB-CG 4.35Å; H767-Y792 AromaticContact CG-CE2 3.99Å; H767-Y792 AromaticContact ND1-CE1 3.88Å; H767-Y792 AromaticContact ND1-CE2 3.58Å; H767-Y792 AromaticContact ND1-CZ 3.49Å; A788-Y792 VanDerWaalsContact O-CB 3.27Å; A788-Y792 WeakPolarHBondContact O-CB 3.36Å; A788-Y792 PolarHBondContact O-N 2.67Å; H790-Y792 PolarHBondContact O-N 2.65Å; Y792-L796 WeakPolarHBondContact O-CB 3.47Å; Y792-L796 PolarHBondContact O-N 3.01Å
793T91.1Very high89.5Confident58 Ų5856 Ų5636%0.35627%0.274SS..Hα-helixtrans-66.8-42.6-177.3-50.30000111.3K789 H790 K791 L796 Q797K789-T793 WeakPolarHBondContact O-CB 3.32Å; K789-T793 PolarHBondContact O-N 2.89Å; K789-T793 PolarHBondContact O-OG1 2.89Å; H790-T793 PolarHBondContact O-N 3.15Å; H790-T793 VanDerWaalsContact O-N 3.15Å; K791-T793 PolarHBondContact O-N 2.91Å; T793-L796 PolarHBondContact O-N 2.89Å; T793-Q797 VanDerWaalsContact O-CG 3.27Å; T793-Q797 WeakPolarHBondContact O-CG 3.47Å; T793-Q797 PolarHBondContact O-N 3.23Å
794D92.1Very high88.5Confident84 Ų8453.5 Ų53.545%0.44925%0.253SS..Hα-helixtrans-66.2-43.8-178.5-167.443.7000112.3H790 K791 Q797 S798H790-D794 WeakPolarHBondContact O-CB 3.24Å; H790-D794 PolarHBondContact O-N 3.44Å; K791-D794 PolarHBondContact O-N 2.76Å; D794-Q797 PolarHBondContact O-N 2.78Å; D794-S798 WeakPolarHBondContact O-CB 3.49Å; D794-S798 PolarHBondContact O-N 2.78Å; D794-S798 PolarHBondContact O-OG 3.42Å
795H90.8Very high87.1Confident16 Ų1653.9 Ų53.97%0.07426%0.261CS..Hα-helixtrans-72.7-32.5175.3-73.5-62.2000112.9D759 M762 M763 K791 S798 Y799D759-H795 HydrophobicContact CB-CB 4.48Å; D759-H795 IonicContact OD1-CE1 3.93Å; D759-H795 IonicContact OD1-ND1 3.79Å; D759-H795 PolarHBondContact OD1-ND1 2.89Å; M762-H795 HydrophobicContact CB-CB 4.06Å; M762-H795 WeakPolarHBondContact CE-NE2 3.49Å; M763-H795 HydrophobicContact CB-CB 4.43Å; K791-H795 WeakPolarHBondContact O-CB 3.32Å; K791-H795 PolarHBondContact O-CD2 3.2Å; K791-H795 PolarHBondContact O-N 3.13Å; H795-S798 PolarHBondContact O-N 2.84Å; H795-Y799 VanDerWaalsContact O-CB 3.26Å; H795-Y799 WeakPolarHBondContact O-CB 3.35Å; H795-Y799 PolarHBondContact O-N 3.43Å
796L88.3Confident85.7Confident12 Ų1255.2 Ų55.26%0.06327%0.271CS..Hα-helixtrans-58.9-51.3169.4171.164.8000110.3M763 Y792 T793 Y799 V800 V879M763-L796 HydrophobicContact CG-CB 4.1Å; M763-L796 HydrophobicContact SD-CB 3.84Å; M763-L796 HydrophobicContact SD-CD1 3.38Å; M763-L796 WeakPolarHBondContact SD-CD1 3.33Å; M763-L796 HydrophobicContact SD-CG 4.19Å; Y792-L796 WeakPolarHBondContact O-CB 3.47Å; Y792-L796 PolarHBondContact O-N 3.01Å; T793-L796 PolarHBondContact O-N 2.89Å; L796-Y799 PolarHBondContact O-N 3.47Å; L796-V800 HydrophobicContact CD1-CG2 3.97Å; L796-V800 HydrophobicContact CG-CG2 4.47Å; L796-V800 WeakPolarHBondContact O-CB 3.29Å; L796-V800 WeakPolarHBondContact O-CG2 3.28Å; L796-V800 PolarHBondContact O-N 3.4Å; L796-V879 HydrophobicContact CD1-CB 4.36Å; L796-V879 HydrophobicContact CD1-CG1 4.4Å; L796-V879 HydrophobicContact CD1-CG2 3.83Å
797Q87Confident84.3Confident59 Ų5947.7 Ų47.728%0.27624%0.244SC..Hα-helixtrans-61.8-45.5178.6-68.8-62.4-45.900111.6T793 D794 Y799 V800 I801 S882T793-Q797 VanDerWaalsContact O-CG 3.27Å; T793-Q797 WeakPolarHBondContact O-CG 3.47Å; T793-Q797 PolarHBondContact O-N 3.23Å; D794-Q797 PolarHBondContact O-N 2.78Å; Q797-Y799 PolarHBondContact O-N 3.24Å; Q797-V800 PolarHBondContact O-N 3.05Å; Q797-I801 WeakPolarHBondContact O-CB 3.46Å; Q797-I801 VanDerWaalsContact O-CG1 3.26Å; Q797-I801 WeakPolarHBondContact O-CG1 3.17Å; Q797-I801 PolarHBondContact O-N 3.33Å; Q797-S882 PolarHBondContact NE2-OG 3.43Å
798S86.9Confident83.2Confident38 Ų3844 Ų4427%0.26623%0.227SC..Hα-helixtrans-60.4-42.6177.1-64.20000112.4D794 H795 N802D794-S798 WeakPolarHBondContact O-CB 3.49Å; D794-S798 PolarHBondContact O-N 2.78Å; D794-S798 PolarHBondContact O-OG 3.42Å; H795-S798 PolarHBondContact O-N 2.84Å; S798-N802 VanDerWaalsContact O-CB 3.28Å; S798-N802 WeakPolarHBondContact O-CB 3.47Å; S798-N802 VanDerWaalsContact O-CG 3.23Å; S798-N802 PolarHBondContact O-N 3.07Å; S798-N802 PolarHBondContact O-ND2 2.87Å
799Y86.7Confident82.4Confident7 Ų750.2 Ų50.23%0.02726%0.256CS..Hα-helixtrans-64.4-44176179.8-117.2000111.9P757 D759 V760 H795 L796 Q797 S803 V865 H868 V879 M883P757-Y799 HydrophobicContact CB-CE2 4.32Å; P757-Y799 HydrophobicContact CG-CE2 4.18Å; D759-Y799 HydrophobicContact CB-CD2 4.41Å; D759-Y799 HydrophobicContact CB-CG 4.5Å; V760-Y799 HydrophobicContact CG2-CD1 4.14Å; V760-Y799 HydrophobicContact CG2-CD2 3.48Å; V760-Y799 VanDerWaalsContact CG2-CD2 3.48Å; V760-Y799 HydrophobicContact CG2-CE1 3.87Å; V760-Y799 HydrophobicContact CG2-CE2 3.18Å; V760-Y799 HydrophobicContact CG2-CG 3.95Å; H795-Y799 VanDerWaalsContact O-CB 3.26Å; H795-Y799 WeakPolarHBondContact O-CB 3.35Å; H795-Y799 PolarHBondContact O-N 3.43Å; L796-Y799 PolarHBondContact O-N 3.47Å; Q797-Y799 PolarHBondContact O-N 3.24Å; Y799-S803 VanDerWaalsContact CE2-OG 3.28Å; Y799-S803 WeakPolarHBondContact CE2-OG 3.37Å; Y799-S803 WeakPolarHBondContact O-CB 3.47Å; Y799-S803 PolarHBondContact O-N 3.32Å; Y799-S803 PolarHBondContact O-OG 3.09Å; Y799-V865 HydrophobicContact CE1-CG1 4.41Å; Y799-V865 HydrophobicContact CE1-CG2 4.31Å; Y799-H868 PolarHBondContact OH-ND1 3Å; Y799-H868 VanDerWaalsContact OH-ND1 3.08Å; Y799-V879 HydrophobicContact CD1-CG1 4.3Å; Y799-V879 HydrophobicContact CE1-CG1 4.2Å; Y799-M883 HydrophobicContact CD1-CE 4.17Å; Y799-M883 HydrophobicContact CE1-CE 3.84Å
800V85.3Confident81.6Confident0 Ų050.5 Ų50.50%026%0.257CS..Hα-helixtrans-61.8-49.9179.2166.70000110.3L796 Q797 S803 L804 M883 E886L796-V800 HydrophobicContact CD1-CG2 3.97Å; L796-V800 HydrophobicContact CG-CG2 4.47Å; L796-V800 WeakPolarHBondContact O-CB 3.29Å; L796-V800 WeakPolarHBondContact O-CG2 3.28Å; L796-V800 PolarHBondContact O-N 3.4Å; Q797-V800 PolarHBondContact O-N 3.05Å; V800-S803 PolarHBondContact O-N 3.47Å; V800-L804 HydrophobicContact CG1-CD1 3.38Å; V800-L804 HydrophobicContact CG1-CG 4.29Å; V800-L804 VanDerWaalsContact O-CB 3.24Å; V800-L804 WeakPolarHBondContact O-CB 3.45Å; V800-L804 WeakPolarHBondContact O-CD1 3.26Å; V800-L804 WeakPolarHBondContact O-CG 3.31Å; V800-L804 PolarHBondContact O-N 3.1Å; V800-M883 HydrophobicContact CB-CG 4.38Å; V800-M883 HydrophobicContact CG1-CG 4Å; V800-M883 HydrophobicContact CG2-CE 4.4Å; V800-M883 HydrophobicContact CG2-CG 3.86Å; V800-E886 HydrophobicContact CG1-CB 3.59Å; V800-E886 HydrophobicContact CG1-CG 3.94Å
801I81.4Confident80.9Confident77 Ų7744.3 Ų44.340%0.39523%0.229SC..Hα-helixtrans-61.1-50.3178.3-67164.8000111.1Q797 S803 L804 G805 E886Q797-I801 WeakPolarHBondContact O-CB 3.46Å; Q797-I801 VanDerWaalsContact O-CG1 3.26Å; Q797-I801 WeakPolarHBondContact O-CG1 3.17Å; Q797-I801 PolarHBondContact O-N 3.33Å; I801-S803 VanDerWaalsContact C-N 3.26Å; I801-S803 PolarHBondContact O-N 3.22Å; I801-L804 PolarHBondContact O-N 3.21Å; I801-G805 PolarHBondContact O-N 3.22Å; I801-E886 HydrophobicContact CG1-CG 4.21Å
802N80.3Confident80.4Confident106 Ų10643.4 Ų43.457%0.56723%0.226SC*.Hα-helixtrans-62-34-180-75.2-21.3000112.6S798S798-N802 VanDerWaalsContact O-CB 3.28Å; S798-N802 WeakPolarHBondContact O-CB 3.47Å; S798-N802 VanDerWaalsContact O-CG 3.23Å; S798-N802 PolarHBondContact O-N 3.07Å; S798-N802 PolarHBondContact O-ND2 2.87Å
803S75.3Confident79.9Confident15 Ų1548.9 Ų48.911%0.10525%0.252CS..Hα-helixtrans-83.9-33.6-178.3-54.80000112.7Y799 V800 I801 G805 Q806 P807Y799-S803 VanDerWaalsContact CE2-OG 3.28Å; Y799-S803 WeakPolarHBondContact CE2-OG 3.37Å; Y799-S803 WeakPolarHBondContact O-CB 3.47Å; Y799-S803 PolarHBondContact O-N 3.32Å; Y799-S803 PolarHBondContact O-OG 3.09Å; V800-S803 PolarHBondContact O-N 3.47Å; I801-S803 VanDerWaalsContact C-N 3.26Å; I801-S803 PolarHBondContact O-N 3.22Å; S803-G805 VanDerWaalsContact C-N 3.32Å; S803-Q806 PolarHBondContact O-N 2.85Å; S803-P807 VanDerWaalsContact O-CD 3.26Å; S803-P807 WeakPolarHBondContact O-CD 3.33Å
804L72.4Confident79.6Confident0 Ų046.9 Ų46.90%024%0.239CC..Hα-helixtrans-75-19.2174.6-73.8167.6000113.4V800 I801 Q806 P807 L861 M883 E886 F887V800-L804 HydrophobicContact CG1-CD1 3.38Å; V800-L804 HydrophobicContact CG1-CG 4.29Å; V800-L804 VanDerWaalsContact O-CB 3.24Å; V800-L804 WeakPolarHBondContact O-CB 3.45Å; V800-L804 WeakPolarHBondContact O-CD1 3.26Å; V800-L804 WeakPolarHBondContact O-CG 3.31Å; V800-L804 PolarHBondContact O-N 3.1Å; I801-L804 PolarHBondContact O-N 3.21Å; L804-Q806 PolarHBondContact O-N 3.44Å; L804-P807 WeakPolarHBondContact O-CD 3.49Å; L804-L861 HydrophobicContact CD2-CD2 3.92Å; L804-M883 HydrophobicContact CD1-CB 4.45Å; L804-M883 HydrophobicContact CD2-CB 4.29Å; L804-M883 HydrophobicContact CG-CG 4.48Å; L804-E886 HydrophobicContact CD1-CB 3.56Å; L804-E886 HydrophobicContact CD1-CG 3.67Å; L804-F887 HydrophobicContact CD2-CB 4.06Å; L804-F887 HydrophobicContact CD2-CD2 3.86Å; L804-F887 HydrophobicContact CD2-CG 4.43Å
805G64.4Low79.2Confident22 Ų2243 Ų4323%0.22722%0.217CC..THydrogen-bonded Turntrans-57.5-30.9170.100000113.2I801 S803 E809 N812I801-G805 PolarHBondContact O-N 3.22Å; S803-G805 VanDerWaalsContact C-N 3.32Å; G805-E809 WeakPolarHBondContact O-CA 3.45Å; G805-E809 WeakPolarHBondContact O-CB 3.23Å; G805-E809 PolarHBondContact O-N 3.49Å; G805-E809 VanDerWaalsContact O-N 3.12Å; G805-N812 PolarHBondContact O-ND2 2.95Å
806Q63.8Low78.9Confident104 Ų10447.6 Ų47.649%0.48624%0.239SC..THydrogen-bonded Turntrans-74.8-47.1-174.5-73.8-175.1-6.900115.2S803 L804 L808 E809S803-Q806 PolarHBondContact O-N 2.85Å; L804-Q806 PolarHBondContact O-N 3.44Å; Q806-L808 PolarHBondContact O-N 3.11Å; Q806-E809 PolarHBondContact O-N 3.23Å
807P64.9Low78.7Confident17 Ų1747.9 Ų47.911%0.1125%0.245CC..THydrogen-bonded Turntrans-57.6-28.5178.4-26.329.4000115.3S803 L804 Y849 L861S803-P807 VanDerWaalsContact O-CD 3.26Å; S803-P807 WeakPolarHBondContact O-CD 3.33Å; L804-P807 WeakPolarHBondContact O-CD 3.49Å; P807-Y849 VanDerWaalsContact O-CE1 3.29Å; P807-Y849 WeakPolarHBondContact O-CE1 3.47Å; P807-L861 HydrophobicContact CG-CB 4.39Å; P807-L861 HydrophobicContact CG-CD2 3.88Å
808L71.4Confident78.5Confident4 Ų445 Ų452%0.02123%0.232CC..THydrogen-bonded Turntrans-124.328.8-176.6-67.8178.3000112.3Q806 K810 L811 N812 Y849 V854 F887 F894Q806-L808 PolarHBondContact O-N 3.11Å; L808-K810 PolarHBondContact O-N 2.98Å; L808-L811 HydrophobicContact CB-CB 4.27Å; L808-L811 HydrophobicContact CD1-CD2 4.29Å; L808-L811 HydrophobicContact CD2-CD2 4.18Å; L808-L811 WeakPolarHBondContact O-CA 3.23Å; L808-L811 WeakPolarHBondContact O-CB 3.11Å; L808-L811 PolarHBondContact O-N 2.94Å; L808-N812 PolarHBondContact O-N 3.44Å; L808-N812 PolarHBondContact O-ND2 2.87Å; L808-Y849 HydrophobicContact CD2-CD1 3.84Å; L808-Y849 HydrophobicContact CD2-CE1 4.24Å; L808-Y849 HydrophobicContact CD2-CG 4.1Å; L808-V854 HydrophobicContact CD2-CG2 4.39Å; L808-F887 HydrophobicContact CD1-CD2 4.31Å; L808-F887 HydrophobicContact CD1-CE2 3.41Å; L808-F887 VanDerWaalsContact CD1-CE2 3.41Å; L808-F887 HydrophobicContact CD1-CZ 3.64Å; L808-F887 HydrophobicContact CG-CE2 3.93Å; L808-F887 HydrophobicContact CG-CZ 4.27Å; L808-F894 HydrophobicContact CD1-CE2 4.33Å
809E75.9Confident78.4Confident130 Ų13046.7 Ų46.761%0.60724%0.235SC*.Hα-helixtrans-51.2-46.4-167.9-169.9176-173.100114.7G805 Q806 N812 H813G805-E809 WeakPolarHBondContact O-CA 3.45Å; G805-E809 WeakPolarHBondContact O-CB 3.23Å; G805-E809 PolarHBondContact O-N 3.49Å; G805-E809 VanDerWaalsContact O-N 3.12Å; Q806-E809 PolarHBondContact O-N 3.23Å; E809-N812 PolarHBondContact O-N 3.4Å; E809-H813 WeakPolarHBondContact O-CB 3.36Å; E809-H813 PolarHBondContact O-N 3.15Å
810K77.3Confident78.2Confident118 Ų11848.6 Ų48.651%0.51325%0.252SS..Hα-helixtrans-72.1-31.1179.4-59.6174.4174.51750112.7L808 F814 E848 Y849L808-K810 PolarHBondContact O-N 2.98Å; K810-F814 WeakPolarHBondContact O-CB 3.48Å; K810-F814 PolarHBondContact O-N 3.19Å; K810-E848 WeakPolarHBondContact CD-OE2 3.44Å; K810-E848 WeakPolarHBondContact CE-OE2 3.36Å; K810-E848 IonicContact NZ-OE2 3.47Å; K810-E848 PolarHBondContact NZ-OE2 2.96Å; K810-Y849 HydrophobicContact CB-CE2 3.97Å; K810-Y849 WeakPolarHBondContact CB-OH 3.4Å; K810-Y849 PolarHBondContact N-OH 2.93Å
811L79.5Confident78Confident0 Ų053.4 Ų53.40%027%0.27CS..Hα-helixtrans-71.1-44.8176.1-167.472.7000110.3L808 F814 F815 V845 I846 Y849 F894 M909L808-L811 HydrophobicContact CB-CB 4.27Å; L808-L811 HydrophobicContact CD1-CD2 4.29Å; L808-L811 HydrophobicContact CD2-CD2 4.18Å; L808-L811 WeakPolarHBondContact O-CA 3.23Å; L808-L811 WeakPolarHBondContact O-CB 3.11Å; L808-L811 PolarHBondContact O-N 2.94Å; L811-F814 PolarHBondContact O-N 3.43Å; L811-F815 HydrophobicContact CD1-CD2 4.16Å; L811-F815 HydrophobicContact CD1-CE2 3.66Å; L811-F815 HydrophobicContact CG-CD2 4Å; L811-F815 HydrophobicContact CG-CE2 3.91Å; L811-F815 VanDerWaalsContact O-CD2 3.29Å; L811-F815 WeakPolarHBondContact O-CD2 3.45Å; L811-F815 PolarHBondContact O-N 3.17Å; L811-F815 VanDerWaalsContact O-N 3.08Å; L811-V845 HydrophobicContact CB-CG1 4.34Å; L811-V845 HydrophobicContact CD1-CG1 3.76Å; L811-I846 HydrophobicContact CD1-CG1 4.22Å; L811-Y849 HydrophobicContact CB-CD2 4.32Å; L811-Y849 HydrophobicContact CB-CE2 4.07Å; L811-F894 HydrophobicContact CD2-CD2 3.89Å; L811-F894 HydrophobicContact CD2-CE2 3.93Å; L811-F894 HydrophobicContact CG-CD2 4.46Å; L811-F894 HydrophobicContact CG-CE2 4.37Å; L811-M909 HydrophobicContact CD2-CE 3.55Å; L811-M909 HydrophobicContact CD2-SD 4.35Å
812N81.5Confident78Confident20 Ų2051.6 Ų51.611%0.10726%0.263CS..Hα-helixtrans-54.7-52.3171-85-50.8000110.7G805 L808 E809 F814 F815 E816 F894G805-N812 PolarHBondContact O-ND2 2.95Å; L808-N812 PolarHBondContact O-N 3.44Å; L808-N812 PolarHBondContact O-ND2 2.87Å; E809-N812 PolarHBondContact O-N 3.4Å; N812-F814 VanDerWaalsContact C-N 3.31Å; N812-F814 PolarHBondContact O-N 2.94Å; N812-F815 PolarHBondContact O-N 2.95Å; N812-E816 WeakPolarHBondContact O-CB 3Å; N812-E816 WeakPolarHBondContact O-CG 3.11Å; N812-E816 PolarHBondContact O-N 2.97Å; N812-F894 VanDerWaalsContact OD1-CZ 3.28Å; N812-F894 WeakPolarHBondContact OD1-CZ 3.15Å
813H82.8Confident78.1Confident140 Ų14050.8 Ų50.865%0.64827%0.271SS*.Hα-helixtrans-62.7-35.9-178.1-158.169000113.3E809 G817E809-H813 WeakPolarHBondContact O-CB 3.36Å; E809-H813 PolarHBondContact O-N 3.15Å; H813-G817 PolarHBondContact O-N 3.38Å; H813-G817 VanDerWaalsContact O-N 3.1Å
814F84.1Confident78.4Confident16 Ų1656.2 Ų56.27%0.0729%0.294CS..Hα-helixtrans-64.5-48.3175-177.1-87.8000111.5K810 L811 N812 G817 V818 F837 E841 L842 V845K810-F814 WeakPolarHBondContact O-CB 3.48Å; K810-F814 PolarHBondContact O-N 3.19Å; L811-F814 PolarHBondContact O-N 3.43Å; N812-F814 VanDerWaalsContact C-N 3.31Å; N812-F814 PolarHBondContact O-N 2.94Å; F814-G817 PolarHBondContact O-N 3.25Å; F814-V818 HydrophobicContact CD1-CG2 4.19Å; F814-V818 HydrophobicContact CE1-CG2 3.82Å; F814-V818 HydrophobicContact CZ-CG2 4.41Å; F814-V818 WeakPolarHBondContact O-CG2 3.25Å; F814-V818 PolarHBondContact O-N 3.38Å; F814-F837 HydrophobicContact CD2-CD1 4.03Å; F814-F837 HydrophobicContact CE2-CB 4.44Å; F814-F837 AromaticContact CE2-CD1 3.84Å; F814-F837 HydrophobicContact CE2-CD1 3.84Å; F814-F837 HydrophobicContact CG-CD1 4.47Å; F814-F837 HydrophobicContact CZ-CB 4.16Å; F814-F837 HydrophobicContact CZ-CD1 4.09Å; F814-F837 WeakPolarHBondContact O-CE1 3.41Å; F814-E841 HydrophobicContact CE2-CB 4.06Å; F814-L842 HydrophobicContact CD1-CD1 4.11Å; F814-L842 HydrophobicContact CE1-CB 4.04Å; F814-L842 HydrophobicContact CE1-CD1 3.59Å; F814-L842 HydrophobicContact CE1-CG 4.37Å; F814-L842 HydrophobicContact CZ-CB 3.82Å; F814-L842 HydrophobicContact CZ-CD1 4.26Å; F814-V845 HydrophobicContact CB-CG1 4.22Å; F814-V845 HydrophobicContact CB-CG2 4.45Å; F814-V845 HydrophobicContact CD2-CG2 3.91Å; F814-V845 HydrophobicContact CG-CG2 4.3Å
815F84.4Confident78.5Confident1 Ų159.2 Ų59.20%0.00433%0.326CS..Hα-helixtrans-74.7-33.7-178.7-77-67.5000113.5L811 N812 G817 V818 E819 L842 F894 L897 I898L811-F815 HydrophobicContact CD1-CD2 4.16Å; L811-F815 HydrophobicContact CD1-CE2 3.66Å; L811-F815 HydrophobicContact CG-CD2 4Å; L811-F815 HydrophobicContact CG-CE2 3.91Å; L811-F815 VanDerWaalsContact O-CD2 3.29Å; L811-F815 WeakPolarHBondContact O-CD2 3.45Å; L811-F815 PolarHBondContact O-N 3.17Å; L811-F815 VanDerWaalsContact O-N 3.08Å; N812-F815 PolarHBondContact O-N 2.95Å; F815-G817 VanDerWaalsContact C-N 3.25Å; F815-G817 PolarHBondContact O-N 3.47Å; F815-V818 WeakPolarHBondContact O-CB 3.44Å; F815-V818 PolarHBondContact O-N 2.82Å; F815-E819 WeakPolarHBondContact O-CG 3.49Å; F815-E819 PolarHBondContact O-N 3.48Å; F815-L842 HydrophobicContact CE1-CD1 4.19Å; F815-L842 HydrophobicContact CE2-CD1 4.32Å; F815-L842 HydrophobicContact CZ-CD1 3.61Å; F815-F894 HydrophobicContact CB-CD1 3.76Å; F815-F894 HydrophobicContact CB-CE1 3.72Å; F815-F894 HydrophobicContact CD1-CD1 4.35Å; F815-F894 HydrophobicContact CD2-CB 4.2Å; F815-F894 AromaticContact CD2-CD1 3.3Å; F815-F894 HydrophobicContact CD2-CD1 3.3Å; F815-F894 HydrophobicContact CD2-CD2 4.5Å; F815-F894 AromaticContact CD2-CE1 3.73Å; F815-F894 HydrophobicContact CD2-CE1 3.73Å; F815-F894 AromaticContact CD2-CG 3.76Å; F815-F894 HydrophobicContact CD2-CG 3.76Å; F815-F894 HydrophobicContact CD2-CZ 4.47Å; F815-F894 HydrophobicContact CE2-CB 3.96Å; F815-F894 AromaticContact CE2-CD1 3.96Å; F815-F894 HydrophobicContact CE2-CD1 3.96Å; F815-F894 AromaticContact CE2-CG 3.96Å; F815-F894 HydrophobicContact CE2-CG 3.96Å; F815-F894 AromaticContact CG-CD1 3.55Å; F815-F894 HydrophobicContact CG-CD1 3.55Å; F815-F894 AromaticContact CG-CE1 3.97Å; F815-F894 HydrophobicContact CG-CE1 3.97Å; F815-F894 HydrophobicContact CG-CG 4.37Å; F815-F894 HydrophobicContact CZ-CB 4.3Å; F815-L897 HydrophobicContact CB-CD1 4.11Å; F815-L897 HydrophobicContact CD1-CB 3.99Å; F815-L897 HydrophobicContact CD1-CD1 3.9Å; F815-L897 HydrophobicContact CE1-CB 4.14Å; F815-L897 HydrophobicContact CG-CD1 4.3Å; F815-I898 HydrophobicContact CE1-CG1 3.76Å; F815-I898 HydrophobicContact CZ-CD1 3.78Å; F815-I898 HydrophobicContact CZ-CG1 3.5Å; F815-I898 VanDerWaalsContact CZ-CG1 3.5Å
816E84.7Confident79.3Confident114 Ų11459.8 Ų59.853%0.53333%0.325SS..Hα-helixtrans-58.5-40.8167.9-77.1177.5174.100110.9N812 E819 A820N812-E816 WeakPolarHBondContact O-CB 3Å; N812-E816 WeakPolarHBondContact O-CG 3.11Å; N812-E816 PolarHBondContact O-N 2.97Å; E816-E819 PolarHBondContact O-N 2.79Å; E816-A820 VanDerWaalsContact O-CB 3.32Å; E816-A820 WeakPolarHBondContact O-CB 3.44Å; E816-A820 PolarHBondContact O-N 3Å
817G82.4Confident79.8Confident17 Ų1762.8 Ų62.818%0.17533%0.331CS..Hα-helixtrans-64-40.6174.200000113.2H813 F814 F815 R821 F837H813-G817 PolarHBondContact O-N 3.38Å; H813-G817 VanDerWaalsContact O-N 3.1Å; F814-G817 PolarHBondContact O-N 3.25Å; F815-G817 VanDerWaalsContact C-N 3.25Å; F815-G817 PolarHBondContact O-N 3.47Å; G817-R821 VanDerWaalsContact O-CG 3.24Å; G817-R821 WeakPolarHBondContact O-CG 3.44Å; G817-R821 PolarHBondContact O-N 3.36Å; G817-F837 VanDerWaalsContact C-CZ 3.49Å; G817-F837 VanDerWaalsContact CA-CZ 3.49Å
818V83.1Confident80.3Confident0 Ų065.2 Ų65.20%034%0.341CS..Hα-helixtrans-61.8-48.5172.9166.60000110.7F814 F815 A820 R821 V822 V831 F837 C901F814-V818 HydrophobicContact CD1-CG2 4.19Å; F814-V818 HydrophobicContact CE1-CG2 3.82Å; F814-V818 HydrophobicContact CZ-CG2 4.41Å; F814-V818 WeakPolarHBondContact O-CG2 3.25Å; F814-V818 PolarHBondContact O-N 3.38Å; F815-V818 WeakPolarHBondContact O-CB 3.44Å; F815-V818 PolarHBondContact O-N 2.82Å; V818-A820 PolarHBondContact O-N 3.23Å; V818-R821 WeakPolarHBondContact O-CB 3.3Å; V818-R821 PolarHBondContact O-N 2.88Å; V818-R821 VanDerWaalsContact O-N 3.15Å; V818-V822 WeakPolarHBondContact O-CG2 3.45Å; V818-V822 PolarHBondContact O-N 3.12Å; V818-V831 HydrophobicContact CB-CG1 4.26Å; V818-V831 HydrophobicContact CG1-CG1 3.71Å; V818-V831 HydrophobicContact CG2-CG1 4.04Å; V818-F837 HydrophobicContact CG2-CB 3.95Å; V818-F837 HydrophobicContact CG2-CD1 3.73Å; V818-F837 HydrophobicContact CG2-CG 3.95Å; V818-C901 HydrophobicContact CG1-CB 4.34Å
819E84.4Confident80.3Confident73 Ų7371.5 Ų71.534%0.34137%0.371SS..Hα-helixtrans-63.3-41.6179.1-73.4-170.2139.100112.7F815 E816 R821 V822 A823 H893 L897F815-E819 WeakPolarHBondContact O-CG 3.49Å; F815-E819 PolarHBondContact O-N 3.48Å; E816-E819 PolarHBondContact O-N 2.79Å; E819-R821 PolarHBondContact O-N 2.84Å; E819-V822 PolarHBondContact O-N 3.04Å; E819-A823 VanDerWaalsContact O-CB 3.3Å; E819-A823 WeakPolarHBondContact O-CB 3.37Å; E819-A823 PolarHBondContact O-N 2.86Å; E819-H893 IonicContact OE1-CD2 2.78Å; E819-H893 IonicContact OE1-CE1 3.94Å; E819-H893 PolarHBondContact OE1-CE1 3.26Å; E819-H893 IonicContact OE1-NE2 3.94Å; E819-H893 PolarHBondContact OE1-NE2 3.41Å; E819-H893 IonicContact OE2-NE2 2.84Å; E819-L897 HydrophobicContact CG-CD1 3.78Å; E819-L897 HydrophobicContact CG-CD2 3.97Å
820A84.1Confident80.2Confident47 Ų4769 Ų6939%0.38836%0.359SS..Hα-helixtrans-60.3-34.4175.500000111.8E816 V818 Q824E816-A820 VanDerWaalsContact O-CB 3.32Å; E816-A820 WeakPolarHBondContact O-CB 3.44Å; E816-A820 PolarHBondContact O-N 3Å; V818-A820 PolarHBondContact O-N 3.23Å; A820-Q824 VanDerWaalsContact O-CG 3.22Å; A820-Q824 WeakPolarHBondContact O-CG 3.27Å; A820-Q824 PolarHBondContact O-N 3.31Å; A820-Q824 VanDerWaalsContact O-N 3.08Å
821R81.1Confident80.1Confident101 Ų10163.4 Ų63.438%0.38134%0.335SS..Hα-helixtrans-74.1-40.2175.9-69-63.6-164.5-169.52.5112.4G817 V818 E819 A823 Q824 V826 Q834 F837G817-R821 VanDerWaalsContact O-CG 3.24Å; G817-R821 WeakPolarHBondContact O-CG 3.44Å; G817-R821 PolarHBondContact O-N 3.36Å; V818-R821 WeakPolarHBondContact O-CB 3.3Å; V818-R821 PolarHBondContact O-N 2.88Å; V818-R821 VanDerWaalsContact O-N 3.15Å; E819-R821 PolarHBondContact O-N 2.84Å; R821-A823 VanDerWaalsContact C-N 3.32Å; R821-Q824 WeakPolarHBondContact O-CB 3.41Å; R821-Q824 PolarHBondContact O-N 3.45Å; R821-V826 VanDerWaalsContact O-CB 3.26Å; R821-V826 WeakPolarHBondContact O-CB 3.48Å; R821-V826 VanDerWaalsContact O-CG2 3.23Å; R821-V826 WeakPolarHBondContact O-CG2 3.38Å; R821-V826 PolarHBondContact O-N 3.29Å; R821-Q834 VanDerWaalsContact CD-OE1 3.3Å; R821-Q834 VanDerWaalsContact CG-OE1 3.24Å; R821-F837 HydrophobicContact CG-CD2 4.12Å; R821-F837 HydrophobicContact CG-CE2 3.8Å
822V81.5Confident79.7Confident38 Ų3864 Ų6423%0.2334%0.339CS..Hα-helixtrans-61.5-43.2172175.20000110.5V818 E819 Q824 G825 E828 V831V818-V822 WeakPolarHBondContact O-CG2 3.45Å; V818-V822 PolarHBondContact O-N 3.12Å; E819-V822 PolarHBondContact O-N 3.04Å; V822-Q824 VanDerWaalsContact C-N 3.27Å; V822-Q824 PolarHBondContact O-N 3.27Å; V822-G825 PolarHBondContact O-N 3.27Å; V822-E828 HydrophobicContact CG1-CG 4.07Å; V822-V831 HydrophobicContact CG2-CG2 3.57Å
823A81.8Confident79.4Confident89 Ų8972.1 Ų72.174%0.73637%0.369SS*.Hα-helixtrans-65.4-26.5176.800000113.4E819 R821 G825E819-A823 VanDerWaalsContact O-CB 3.3Å; E819-A823 WeakPolarHBondContact O-CB 3.37Å; E819-A823 PolarHBondContact O-N 2.86Å; R821-A823 VanDerWaalsContact C-N 3.32Å; A823-G825 PolarHBondContact O-N 3.07Å
824Q81.2Confident79.1Confident129 Ų12967.4 Ų67.460%0.60335%0.348SS*.THydrogen-bonded Turntrans-74.14.1171-75.6168.511.400113.5A820 R821 V822A820-Q824 VanDerWaalsContact O-CG 3.22Å; A820-Q824 WeakPolarHBondContact O-CG 3.27Å; A820-Q824 PolarHBondContact O-N 3.31Å; A820-Q824 VanDerWaalsContact O-N 3.08Å; R821-Q824 WeakPolarHBondContact O-CB 3.41Å; R821-Q824 PolarHBondContact O-N 3.45Å; V822-Q824 VanDerWaalsContact C-N 3.27Å; V822-Q824 PolarHBondContact O-N 3.27Å
825G75.3Confident78.6Confident64 Ų6474.3 Ų74.366%0.6638%0.384SS*.THydrogen-bonded Turntrans90.610.9176.200000114.5V822 A823V822-G825 PolarHBondContact O-N 3.27Å; A823-G825 PolarHBondContact O-N 3.07Å
826V80.3Confident78.1Confident33 Ų3377.2 Ų77.220%0.241%0.408CS..  trans-71.1129.6172.7-179.10000108.4R821 E828 E830 V831R821-V826 VanDerWaalsContact O-CB 3.26Å; R821-V826 WeakPolarHBondContact O-CB 3.48Å; R821-V826 VanDerWaalsContact O-CG2 3.23Å; R821-V826 WeakPolarHBondContact O-CG2 3.38Å; R821-V826 PolarHBondContact O-N 3.29Å; V826-E828 PolarHBondContact O-N 3.23Å; V826-E830 HydrophobicContact CG1-CB 3.85Å; V826-V831 HydrophobicContact CG1-CG2 4.16Å
827R75.2Confident78Confident167 Ų16773 Ų7363%0.6339%0.389SS*.  trans-60.5137.8177.4-64.5-171.1-74.6-172.9-1.1109.3E829 E830 V831R827-E829 PolarHBondContact O-N 2.89Å; R827-E830 HydrophobicContact CB-CB 4.4Å; R827-E830 HydrophobicContact CB-CG 4.13Å; R827-E830 IonicContact CZ-OE1 3.17Å; R827-E830 IonicContact NE-OE1 2.7Å; R827-E830 PolarHBondContact NE-OE1 3.1Å; R827-E830 IonicContact NE-OE2 3.86Å; R827-E830 IonicContact NH2-OE1 2.64Å; R827-E830 PolarHBondContact NH2-OE1 3.46Å; R827-E830 WeakPolarHBondContact O-CA 3.4Å; R827-E830 WeakPolarHBondContact O-CB 3.43Å; R827-E830 PolarHBondContact O-N 3.21Å; R827-V831 PolarHBondContact O-N 2.76Å
828E74.3Confident78Confident69 Ų6974 Ų7432%0.32239%0.389SS..G310 helixtrans-52.6-36.5-175.2-64.4-175.7153.400111.6V822 V826 E830 V831 R900 C901V822-E828 HydrophobicContact CG1-CG 4.07Å; V826-E828 PolarHBondContact O-N 3.23Å; E828-E830 VanDerWaalsContact C-N 3.32Å; E828-E830 PolarHBondContact O-N 3.38Å; E828-V831 WeakPolarHBondContact O-CG2 3.28Å; E828-R900 IonicContact OE1-CZ 3.8Å; E828-R900 IonicContact OE1-NH1 3.8Å; E828-R900 PolarHBondContact OE1-NH1 3.42Å; E828-C901 VanDerWaalsContact O-CA 3.26Å; E828-C901 WeakPolarHBondContact O-CA 3.44Å
829E71.3Confident77.9Confident135 Ų13577.7 Ų77.763%0.63141%0.406SS*.G310 helixtrans-67.3-27.1176.6-59.1176.3178.300114.2R827 S832R827-E829 PolarHBondContact O-N 2.89Å; E829-S832 PolarHBondContact O-OG 2.85Å
830E74.3Confident77.6Confident78 Ų7881.6 Ų81.636%0.36442%0.424SS..G310 helixtrans-84.8-17.8-175.6-71.6179.2174.700113.7V826 R827 E828 S832 Y833V826-E830 HydrophobicContact CG1-CB 3.85Å; R827-E830 HydrophobicContact CB-CB 4.4Å; R827-E830 HydrophobicContact CB-CG 4.13Å; R827-E830 IonicContact CZ-OE1 3.17Å; R827-E830 IonicContact NE-OE1 2.7Å; R827-E830 PolarHBondContact NE-OE1 3.1Å; R827-E830 IonicContact NE-OE2 3.86Å; R827-E830 IonicContact NH2-OE1 2.64Å; R827-E830 PolarHBondContact NH2-OE1 3.46Å; R827-E830 WeakPolarHBondContact O-CA 3.4Å; R827-E830 WeakPolarHBondContact O-CB 3.43Å; R827-E830 PolarHBondContact O-N 3.21Å; E828-E830 VanDerWaalsContact C-N 3.32Å; E828-E830 PolarHBondContact O-N 3.38Å; E830-S832 PolarHBondContact O-N 2.83Å; E830-Y833 PolarHBondContact O-N 2.95Å
831V76.3Confident77.4Confident0 Ų082.5 Ų82.50%042%0.42CS..G310 helixtrans-56.2-37.1178.2-177.50000110.4V818 V822 V826 R827 E828 Y833 Q834 F837 C901V818-V831 HydrophobicContact CB-CG1 4.26Å; V818-V831 HydrophobicContact CG1-CG1 3.71Å; V818-V831 HydrophobicContact CG2-CG1 4.04Å; V822-V831 HydrophobicContact CG2-CG2 3.57Å; V826-V831 HydrophobicContact CG1-CG2 4.16Å; R827-V831 PolarHBondContact O-N 2.76Å; E828-V831 WeakPolarHBondContact O-CG2 3.28Å; V831-Y833 PolarHBondContact O-N 3.48Å; V831-Y833 VanDerWaalsContact O-N 3.09Å; V831-Q834 WeakPolarHBondContact O-CB 3.29Å; V831-Q834 PolarHBondContact O-N 3.42Å; V831-F837 HydrophobicContact CG1-CB 4.27Å; V831-C901 HydrophobicContact CB-CB 4.24Å
832S70.7Confident77.4Confident12 Ų1277.7 Ų77.78%0.08440%0.402CS..G310 helixtrans-63.1-15.7179.973.20000115.4E829 E830 N838E829-S832 PolarHBondContact O-OG 2.85Å; E830-S832 PolarHBondContact O-N 2.83Å; S832-N838 WeakPolarHBondContact O-CA 3.42Å
833Y75.5Confident77.4Confident192 Ų19282.2 Ų82.275%0.75342%0.415SS*.G310 helixtrans-97.6-5.6176.9-58.2-80.6000113.3E830 V831E830-Y833 PolarHBondContact O-N 2.95Å; V831-Y833 PolarHBondContact O-N 3.48Å; V831-Y833 VanDerWaalsContact O-N 3.09Å
834Q75.8Confident77.4Confident41 Ų4183.3 Ų83.319%0.19240%0.403CS..SBendtrans-72.7131.4174.8-65.2-163.813.700110.9R821 V831 A836 F837 N838R821-Q834 VanDerWaalsContact CD-OE1 3.3Å; R821-Q834 VanDerWaalsContact CG-OE1 3.24Å; V831-Q834 WeakPolarHBondContact O-CB 3.29Å; V831-Q834 PolarHBondContact O-N 3.42Å; Q834-A836 PolarHBondContact O-N 2.89Å; Q834-A836 VanDerWaalsContact O-N 3.13Å; Q834-F837 HydrophobicContact CB-CD2 4.4Å; Q834-F837 CarbonylContact O-C 3.57Å; Q834-F837 PolarHBondContact O-N 3.36Å; Q834-N838 WeakPolarHBondContact O-CB 3.41Å; Q834-N838 PolarHBondContact O-N 3.46Å
835L74.1Confident77.5Confident160 Ų16077.9 Ų77.984%0.83838%0.379SS*.G310 helixtrans-55-38.3-174.7-157.288.6000112.9N838L835-N838 PolarHBondContact O-ND2 3.37Å
836A74Confident77.8Confident62 Ų6275.4 Ų75.451%0.51235%0.35SS..G310 helixtrans-78.7-18.5-17900000114.3Q834Q834-A836 PolarHBondContact O-N 2.89Å; Q834-A836 VanDerWaalsContact O-N 3.13Å
837F81.4Confident77.8Confident27 Ų2781.2 Ų81.212%0.11837%0.373CS..G310 helixtrans-131.129.9-173.5-54.6-70.9000111.7F814 G817 V818 R821 V831 Q834 Y902F814-F837 HydrophobicContact CD2-CD1 4.03Å; F814-F837 HydrophobicContact CE2-CB 4.44Å; F814-F837 AromaticContact CE2-CD1 3.84Å; F814-F837 HydrophobicContact CE2-CD1 3.84Å; F814-F837 HydrophobicContact CG-CD1 4.47Å; F814-F837 HydrophobicContact CZ-CB 4.16Å; F814-F837 HydrophobicContact CZ-CD1 4.09Å; F814-F837 WeakPolarHBondContact O-CE1 3.41Å; G817-F837 VanDerWaalsContact C-CZ 3.49Å; G817-F837 VanDerWaalsContact CA-CZ 3.49Å; V818-F837 HydrophobicContact CG2-CB 3.95Å; V818-F837 HydrophobicContact CG2-CD1 3.73Å; V818-F837 HydrophobicContact CG2-CG 3.95Å; R821-F837 HydrophobicContact CG-CD2 4.12Å; R821-F837 HydrophobicContact CG-CE2 3.8Å; V831-F837 HydrophobicContact CG1-CB 4.27Å; Q834-F837 HydrophobicContact CB-CD2 4.4Å; Q834-F837 CarbonylContact O-C 3.57Å; Q834-F837 PolarHBondContact O-N 3.36Å; F837-Y902 VanDerWaalsContact O-CE1 3.25Å; F837-Y902 WeakPolarHBondContact O-CE1 3.47Å; F837-Y902 PolarHBondContact O-OH 2.73Å
838N82.3Confident78Confident36 Ų3676.6 Ų76.619%0.19336%0.358CS..  trans-73.8169-177.472.742000112S832 Q834 L835 Q840 E841 L842S832-N838 WeakPolarHBondContact O-CA 3.42Å; Q834-N838 WeakPolarHBondContact O-CB 3.41Å; Q834-N838 PolarHBondContact O-N 3.46Å; L835-N838 PolarHBondContact O-ND2 3.37Å; N838-Q840 PolarHBondContact O-N 2.91Å; N838-Q840 WeakPolarHBondContact OD1-CA 3.49Å; N838-Q840 WeakPolarHBondContact OD1-CB 3.32Å; N838-Q840 PolarHBondContact OD1-N 3.46Å; N838-E841 PolarHBondContact O-N 3.49Å; N838-E841 PolarHBondContact OD1-N 3.28Å; N838-L842 PolarHBondContact O-N 2.91Å
839K81.1Confident78.2Confident79 Ų7974.5 Ų74.534%0.34335%0.348SS..Hα-helixtrans-57.6-29.8179.4-69179-176.7-176.60114.2R843 Y902 I907K839-R843 WeakPolarHBondContact O-CG 3.36Å; K839-R843 PolarHBondContact O-N 2.91Å; K839-Y902 HydrophobicContact CG-CD1 3.81Å; K839-Y902 HydrophobicContact CG-CE1 4.4Å; K839-I907 HydrophobicContact CB-CD1 4.33Å
840Q78.9Confident78.5Confident154 Ų15470.2 Ų70.272%0.7233%0.331SS*.Hα-helixtrans-77.3-40.5-179.9-66.8179.8-10.300111.6N838 R843 K844N838-Q840 PolarHBondContact O-N 2.91Å; N838-Q840 WeakPolarHBondContact OD1-CA 3.49Å; N838-Q840 WeakPolarHBondContact OD1-CB 3.32Å; N838-Q840 PolarHBondContact OD1-N 3.46Å; Q840-R843 PolarHBondContact O-N 3.29Å; Q840-K844 WeakPolarHBondContact O-CB 3.49Å; Q840-K844 PolarHBondContact O-N 3.41Å
841E80.4Confident78.6Confident67 Ų6767.1 Ų67.131%0.31332%0.321SS..Hα-helixtrans-67-39.8174.6-72.4-58.8148.800111.3F814 N838 R843 K844 V845F814-E841 HydrophobicContact CE2-CB 4.06Å; N838-E841 PolarHBondContact O-N 3.49Å; N838-E841 PolarHBondContact OD1-N 3.28Å; E841-R843 PolarHBondContact O-N 3.27Å; E841-K844 WeakPolarHBondContact O-CB 3.46Å; E841-K844 PolarHBondContact O-N 3.12Å; E841-K844 VanDerWaalsContact O-N 3.12Å; E841-K844 IonicContact OE1-NZ 2.63Å; E841-K844 WeakPolarHBondContact OE2-CD 3.44Å; E841-K844 IonicContact OE2-NZ 2.88Å; E841-V845 WeakPolarHBondContact O-CG2 3.39Å; E841-V845 PolarHBondContact O-N 2.87Å
842L80.4Confident78.8Confident0 Ų076.1 Ų76.10%036%0.36CS..Hα-helixtrans-57.3-46.5172.1177.263.1000112F814 F815 N838 K844 V845 I846 I898 Y902 I907F814-L842 HydrophobicContact CD1-CD1 4.11Å; F814-L842 HydrophobicContact CE1-CB 4.04Å; F814-L842 HydrophobicContact CE1-CD1 3.59Å; F814-L842 HydrophobicContact CE1-CG 4.37Å; F814-L842 HydrophobicContact CZ-CB 3.82Å; F814-L842 HydrophobicContact CZ-CD1 4.26Å; F815-L842 HydrophobicContact CE1-CD1 4.19Å; F815-L842 HydrophobicContact CE2-CD1 4.32Å; F815-L842 HydrophobicContact CZ-CD1 3.61Å; N838-L842 PolarHBondContact O-N 2.91Å; L842-K844 VanDerWaalsContact C-N 3.28Å; L842-K844 PolarHBondContact O-N 2.99Å; L842-V845 PolarHBondContact O-N 3.44Å; L842-I846 HydrophobicContact CD1-CD1 3.79Å; L842-I846 HydrophobicContact CD1-CG1 4.2Å; L842-I846 HydrophobicContact CG-CD1 3.94Å; L842-I846 WeakPolarHBondContact O-CG1 3.4Å; L842-I846 PolarHBondContact O-N 2.68Å; L842-I898 HydrophobicContact CD2-CG1 4.39Å; L842-Y902 HydrophobicContact CD2-CD1 4.08Å; L842-Y902 HydrophobicContact CD2-CD2 3.65Å; L842-Y902 HydrophobicContact CD2-CE1 4.17Å; L842-Y902 HydrophobicContact CD2-CE2 3.77Å; L842-Y902 HydrophobicContact CD2-CG 3.8Å; L842-I907 HydrophobicContact CD2-CB 4.49Å; L842-I907 HydrophobicContact CD2-CD1 3.98Å; L842-I907 HydrophobicContact CD2-CG2 4.01Å; L842-I907 HydrophobicContact CG-CD1 4.5Å; L842-I907 HydrophobicContact CG-CG2 4.21Å
843R80.9Confident79.3Confident133 Ų13381 Ų8150%0.50238%0.381SS..Hα-helixtrans-62.4-35.5176.6-75.6-179.3-172.1-88.2-0.8112.4K839 Q840 E841 K847 S905 I907K839-R843 WeakPolarHBondContact O-CG 3.36Å; K839-R843 PolarHBondContact O-N 2.91Å; Q840-R843 PolarHBondContact O-N 3.29Å; E841-R843 PolarHBondContact O-N 3.27Å; R843-K847 VanDerWaalsContact O-CB 3.27Å; R843-K847 WeakPolarHBondContact O-CB 3.36Å; R843-K847 PolarHBondContact O-N 3.48Å; R843-K847 VanDerWaalsContact O-N 3.12Å; R843-S905 PolarHBondContact NH2-O 3.26Å; R843-I907 HydrophobicContact CG-CD1 3.7Å; R843-I907 HydrophobicContact CG-CG1 3.92Å; R843-I907 VanDerWaalsContact CZ-CG1 3.43Å
844K82.6Confident79.5Confident111 Ų11171.9 Ų71.948%0.48335%0.346SS..Hα-helixtrans-68.4-46.7178.6-172.6-174.2174.5-168.30111.1Q840 E841 L842 K847 E848Q840-K844 WeakPolarHBondContact O-CB 3.49Å; Q840-K844 PolarHBondContact O-N 3.41Å; E841-K844 WeakPolarHBondContact O-CB 3.46Å; E841-K844 PolarHBondContact O-N 3.12Å; E841-K844 VanDerWaalsContact O-N 3.12Å; E841-K844 IonicContact OE1-NZ 2.63Å; E841-K844 WeakPolarHBondContact OE2-CD 3.44Å; E841-K844 IonicContact OE2-NZ 2.88Å; L842-K844 VanDerWaalsContact C-N 3.28Å; L842-K844 PolarHBondContact O-N 2.99Å; K844-K847 PolarHBondContact O-N 2.92Å; K844-E848 WeakPolarHBondContact O-CG 3.29Å; K844-E848 PolarHBondContact O-N 3.43Å
845V82Confident79.8Confident16 Ų1673.6 Ų73.610%0.09735%0.353CS..Hα-helixtrans-64.9-41.2178.6179.10000111.4L811 F814 E841 L842 K847 E848 Y849L811-V845 HydrophobicContact CB-CG1 4.34Å; L811-V845 HydrophobicContact CD1-CG1 3.76Å; F814-V845 HydrophobicContact CB-CG1 4.22Å; F814-V845 HydrophobicContact CB-CG2 4.45Å; F814-V845 HydrophobicContact CD2-CG2 3.91Å; F814-V845 HydrophobicContact CG-CG2 4.3Å; E841-V845 WeakPolarHBondContact O-CG2 3.39Å; E841-V845 PolarHBondContact O-N 2.87Å; L842-V845 PolarHBondContact O-N 3.44Å; V845-K847 PolarHBondContact O-N 3.22Å; V845-E848 PolarHBondContact O-N 2.87Å; V845-Y849 WeakPolarHBondContact O-CD2 3.28Å
846I81.7Confident80.2Confident11 Ų1172.9 Ų72.96%0.05634%0.343CS..Hα-helixtrans-63.9-40.4176.1-68.2171.2000111.5L811 L842 E848 Y849 I898 I907 M909 E910L811-I846 HydrophobicContact CD1-CG1 4.22Å; L842-I846 HydrophobicContact CD1-CD1 3.79Å; L842-I846 HydrophobicContact CD1-CG1 4.2Å; L842-I846 HydrophobicContact CG-CD1 3.94Å; L842-I846 WeakPolarHBondContact O-CG1 3.4Å; L842-I846 PolarHBondContact O-N 2.68Å; I846-E848 PolarHBondContact O-N 2.85Å; I846-Y849 PolarHBondContact O-N 3.33Å; I846-I898 HydrophobicContact CD1-CD1 4.27Å; I846-I907 HydrophobicContact CD1-CG2 3.49Å; I846-I907 VanDerWaalsContact CD1-CG2 3.49Å; I846-M909 HydrophobicContact CD1-SD 4.18Å; I846-M909 HydrophobicContact CG1-SD 4.01Å; I846-M909 HydrophobicContact CG2-SD 4.39Å; I846-E910 HydrophobicContact CG2-CG 4.34Å
847K81.6Confident80.6Confident156 Ų15670.9 Ų70.968%0.67833%0.328SS*.Hα-helixtrans-68.3-20.1-179.9-167.4175.5-177.2179.90113.5R843 K844 V845 Y849R843-K847 VanDerWaalsContact O-CB 3.27Å; R843-K847 WeakPolarHBondContact O-CB 3.36Å; R843-K847 PolarHBondContact O-N 3.48Å; R843-K847 VanDerWaalsContact O-N 3.12Å; K844-K847 PolarHBondContact O-N 2.92Å; V845-K847 PolarHBondContact O-N 3.22Å; K847-Y849 PolarHBondContact O-N 3.46Å
848E78.4Confident80.7Confident70 Ų7069.6 Ų69.633%0.32732%0.322SS..THydrogen-bonded Turntrans-72.2-11.1172.4-71.9-176.4-167.100112.8K810 K844 V845 I846 P850K810-E848 WeakPolarHBondContact CD-OE2 3.44Å; K810-E848 WeakPolarHBondContact CE-OE2 3.36Å; K810-E848 IonicContact NZ-OE2 3.47Å; K810-E848 PolarHBondContact NZ-OE2 2.96Å; K844-E848 WeakPolarHBondContact O-CG 3.29Å; K844-E848 PolarHBondContact O-N 3.43Å; V845-E848 PolarHBondContact O-N 2.87Å; I846-E848 PolarHBondContact O-N 2.85Å; E848-P850 VanDerWaalsContact C-CD 3.44Å; E848-P850 WeakPolarHBondContact O-CD 3.29Å
849Y77.8Confident80.8Confident25 Ų2569.4 Ų69.410%0.09832%0.321CS..  trans-123.965.9-179.1-66.3-81.3000113.2P807 L808 K810 L811 V845 I846 K847P807-Y849 VanDerWaalsContact O-CE1 3.29Å; P807-Y849 WeakPolarHBondContact O-CE1 3.47Å; L808-Y849 HydrophobicContact CD2-CD1 3.84Å; L808-Y849 HydrophobicContact CD2-CE1 4.24Å; L808-Y849 HydrophobicContact CD2-CG 4.1Å; K810-Y849 HydrophobicContact CB-CE2 3.97Å; K810-Y849 WeakPolarHBondContact CB-OH 3.4Å; K810-Y849 PolarHBondContact N-OH 2.93Å; L811-Y849 HydrophobicContact CB-CD2 4.32Å; L811-Y849 HydrophobicContact CB-CE2 4.07Å; V845-Y849 WeakPolarHBondContact O-CD2 3.28Å; I846-Y849 PolarHBondContact O-N 3.33Å; K847-Y849 PolarHBondContact O-N 3.46Å
850P78.6Confident80.9Confident44 Ų4470 Ų7029%0.28633%0.328SS..  trans-65.6152.1172.329.6-34.8000110.5E848 K852 E853 V854E848-P850 VanDerWaalsContact C-CD 3.44Å; E848-P850 WeakPolarHBondContact O-CD 3.29Å; P850-K852 PolarHBondContact O-N 3.49Å; P850-E853 HydrophobicContact CG-CB 4.15Å; P850-E853 HydrophobicContact CG-CG 3.92Å; P850-E853 PolarHBondContact O-N 3.41Å; P850-V854 PolarHBondContact O-N 3.2Å
851G77.4Confident81.2Confident14 Ų1463.1 Ų63.114%0.14430%0.296CS..Hα-helixtrans-52.5-28.2-174.800000115.4K855G851-K855 WeakPolarHBondContact O-CB 3.25Å; G851-K855 PolarHBondContact O-N 3.34Å
852K78.8Confident81.4Confident189 Ų18960.8 Ų60.882%0.82228%0.284SS*.Hα-helixtrans-67.3-39.3172.6-70.9-175.4179.7178.60113.6P850 K856P850-K852 PolarHBondContact O-N 3.49Å; K852-K856 WeakPolarHBondContact O-CB 3.22Å; K852-K856 PolarHBondContact O-N 2.92Å; K852-K856 VanDerWaalsContact O-N 3.09Å
853E80.9Confident81.6Confident114 Ų11465.3 Ų65.353%0.53330%0.304SS..Hα-helixtrans-71.6-38.3175.8-75.2-151.2171.800111.4P850 K856 G857P850-E853 HydrophobicContact CG-CB 4.15Å; P850-E853 HydrophobicContact CG-CG 3.92Å; P850-E853 PolarHBondContact O-N 3.41Å; E853-K856 PolarHBondContact O-N 2.91Å; E853-G857 PolarHBondContact O-N 2.93Å
854V81Confident81.7Confident1 Ų162.7 Ų62.71%0.00630%0.297CS..Hα-helixtrans-60.1-47.7173.4-179.40000110.7L808 P850 K856 G857 L858 F887 F911L808-V854 HydrophobicContact CD2-CG2 4.39Å; P850-V854 PolarHBondContact O-N 3.2Å; V854-K856 VanDerWaalsContact C-N 3.31Å; V854-K856 PolarHBondContact O-N 3.28Å; V854-G857 PolarHBondContact O-N 3.4Å; V854-L858 HydrophobicContact CG1-CD1 4.18Å; V854-L858 WeakPolarHBondContact O-CG 3.28Å; V854-L858 PolarHBondContact O-N 3.01Å; V854-F887 HydrophobicContact CG1-CE1 4.41Å; V854-F887 HydrophobicContact CG1-CZ 3.79Å; V854-F911 HydrophobicContact CG1-CE2 4.43Å; V854-F911 HydrophobicContact CG1-CZ 4.41Å; V854-F911 HydrophobicContact CG2-CD1 4.45Å; V854-F911 HydrophobicContact CG2-CE1 3.86Å; V854-F911 HydrophobicContact CG2-CZ 4.02Å
855K81.6Confident81.8Confident77 Ų7757.4 Ų57.434%0.33527%0.274SS..Hα-helixtrans-59.8-39.7175.6-172.4173.8-176.3170.20112.4G851 L858 D859 Y919 S922 I923G851-K855 WeakPolarHBondContact O-CB 3.25Å; G851-K855 PolarHBondContact O-N 3.34Å; K855-L858 PolarHBondContact O-N 2.9Å; K855-D859 PolarHBondContact O-N 3.33Å; K855-Y919 HydrophobicContact CB-CD1 4.42Å; K855-Y919 HydrophobicContact CB-CD2 4.34Å; K855-Y919 HydrophobicContact CB-CG 4.22Å; K855-Y919 HydrophobicContact CD-CD1 3.97Å; K855-Y919 HydrophobicContact CD-CE1 4.47Å; K855-Y919 HydrophobicContact CD-CG 4.42Å; K855-Y919 HydrophobicContact CG-CD1 4.36Å; K855-Y919 HydrophobicContact CG-CG 4.31Å; K855-S922 PolarHBondContact NZ-OG 2.89Å; K855-I923 HydrophobicContact CG-CD1 4.46Å
856K82.8Confident81.8Confident145 Ų14560.3 Ų60.363%0.6329%0.289SS*.Hα-helixtrans-68.6-38.3176.4-171.1-179.3178.6-174.90112.3K852 E853 V854 N860K852-K856 WeakPolarHBondContact O-CB 3.22Å; K852-K856 PolarHBondContact O-N 2.92Å; K852-K856 VanDerWaalsContact O-N 3.09Å; E853-K856 PolarHBondContact O-N 2.91Å; V854-K856 VanDerWaalsContact C-N 3.31Å; V854-K856 PolarHBondContact O-N 3.28Å; K856-N860 PolarHBondContact O-N 3.14Å; K856-N860 VanDerWaalsContact O-N 3.09Å; K856-N860 PolarHBondContact O-ND2 3.29Å
857G81.7Confident81.8Confident19 Ų1967.5 Ų67.520%0.19632%0.319CS..Hα-helixtrans-62.5-42.9173.200000112E853 V854 N860 L861E853-G857 PolarHBondContact O-N 2.93Å; V854-G857 PolarHBondContact O-N 3.4Å; G857-N860 PolarHBondContact O-N 2.89Å; G857-L861 WeakPolarHBondContact O-CB 3.3Å; G857-L861 PolarHBondContact O-N 2.96Å
858L84.5Confident81.7Confident0 Ų061.8 Ų61.80%030%0.295CS..Hα-helixtrans-67.3-40.6175.9-69.3173.8000112.8V854 K855 L861 Y862 W880 F887 F920 I923V854-L858 HydrophobicContact CG1-CD1 4.18Å; V854-L858 WeakPolarHBondContact O-CG 3.28Å; V854-L858 PolarHBondContact O-N 3.01Å; K855-L858 PolarHBondContact O-N 2.9Å; L858-L861 WeakPolarHBondContact O-CB 3.5Å; L858-L861 PolarHBondContact O-N 3.11Å; L858-Y862 PolarHBondContact O-N 3.39Å; L858-W880 HydrophobicContact CB-CH2 4.41Å; L858-F887 HydrophobicContact CD2-CD2 4.43Å; L858-F887 HydrophobicContact CD2-CE2 4.32Å; L858-F920 HydrophobicContact CD1-CD2 4.03Å; L858-F920 HydrophobicContact CD1-CE2 3.64Å; L858-F920 HydrophobicContact CD1-CZ 4.17Å; L858-F920 HydrophobicContact CD2-CE1 4.29Å; L858-F920 HydrophobicContact CD2-CE2 3.88Å; L858-F920 HydrophobicContact CD2-CZ 3.55Å; L858-F920 HydrophobicContact CG-CE2 4.42Å; L858-F920 HydrophobicContact CG-CZ 4.49Å; L858-I923 HydrophobicContact CB-CD1 3.49Å; L858-I923 VanDerWaalsContact CB-CD1 3.49Å
859D83.4Confident81.8Confident33 Ų3358.8 Ų58.818%0.17628%0.281CS..Hα-helixtrans-65.3-38.7175.9-179.660.1000112K855 Y862 K863 I923 H927K855-D859 PolarHBondContact O-N 3.33Å; D859-Y862 PolarHBondContact O-N 2.92Å; D859-K863 WeakPolarHBondContact O-CG 3.47Å; D859-K863 PolarHBondContact O-N 2.88Å; D859-K863 VanDerWaalsContact O-N 3.09Å; D859-K863 IonicContact OD1-NZ 2.94Å; D859-K863 WeakPolarHBondContact OD2-CE 3.27Å; D859-K863 IonicContact OD2-NZ 2.67Å; D859-K863 PolarHBondContact OD2-NZ 2.81Å; D859-I923 HydrophobicContact CB-CD1 4.38Å; D859-I923 HydrophobicContact CB-CG1 4.42Å; D859-H927 IonicContact OD1-CD2 3.74Å; D859-H927 IonicContact OD1-CE1 2.78Å; D859-H927 IonicContact OD1-NE2 3.58Å; D859-H927 PolarHBondContact OD1-NE2 3.44Å
860N83.8Confident81.4Confident92 Ų9259.2 Ų59.249%0.49229%0.288SS..Hα-helixtrans-66.1-38.3172.7-75.1-21.9000112.1K856 G857 K864K856-N860 PolarHBondContact O-N 3.14Å; K856-N860 VanDerWaalsContact O-N 3.09Å; K856-N860 PolarHBondContact O-ND2 3.29Å; G857-N860 PolarHBondContact O-N 2.89Å; N860-K864 WeakPolarHBondContact O-CB 3.4Å; N860-K864 PolarHBondContact O-N 3.24Å
861L84.6Confident80.7Confident8 Ų865.9 Ų65.94%0.04232%0.315CS..Hα-helixtrans-63.8-46174.9179.962.7000110.8L804 P807 G857 L858 K863 K864 V865 W880 M883L804-L861 HydrophobicContact CD2-CD2 3.92Å; P807-L861 HydrophobicContact CG-CB 4.39Å; P807-L861 HydrophobicContact CG-CD2 3.88Å; G857-L861 WeakPolarHBondContact O-CB 3.3Å; G857-L861 PolarHBondContact O-N 2.96Å; L858-L861 WeakPolarHBondContact O-CB 3.5Å; L858-L861 PolarHBondContact O-N 3.11Å; L861-K863 PolarHBondContact O-N 3.29Å; L861-K864 WeakPolarHBondContact O-CB 3.33Å; L861-K864 PolarHBondContact O-N 3.02Å; L861-K864 VanDerWaalsContact O-N 3.09Å; L861-V865 HydrophobicContact CD1-CG2 4.11Å; L861-V865 HydrophobicContact CG-CG2 4.32Å; L861-V865 VanDerWaalsContact O-CG2 3.26Å; L861-V865 WeakPolarHBondContact O-CG2 3.44Å; L861-V865 PolarHBondContact O-N 2.81Å; L861-W880 HydrophobicContact CG-CZ3 4.5Å; L861-M883 HydrophobicContact CD2-SD 3.98Å; L861-M883 HydrophobicContact CG-SD 4.22Å
862Y85.4Confident79.9Confident18 Ų1872.4 Ų72.47%0.07134%0.342CS..Hα-helixtrans-55.4-52.5176.5-171.5-91.4000111.6L858 D859 K864 V865 D866 L876 W880 I923 H927L858-Y862 PolarHBondContact O-N 3.39Å; D859-Y862 PolarHBondContact O-N 2.92Å; Y862-K864 PolarHBondContact O-N 3.37Å; Y862-V865 PolarHBondContact O-N 3.04Å; Y862-V865 VanDerWaalsContact O-N 3.16Å; Y862-D866 WeakPolarHBondContact O-CB 3.25Å; Y862-D866 PolarHBondContact O-N 3.49Å; Y862-L876 HydrophobicContact CE1-CD2 4.44Å; Y862-L876 HydrophobicContact CE2-CG 4.5Å; Y862-L876 WeakPolarHBondContact OH-CD2 3.44Å; Y862-W880 AromaticContact CD2-CD2 3.52Å; Y862-W880 HydrophobicContact CD2-CD2 3.52Å; Y862-W880 AromaticContact CD2-CE2 3.58Å; Y862-W880 AromaticContact CD2-CE3 3.64Å; Y862-W880 HydrophobicContact CD2-CE3 3.64Å; Y862-W880 HydrophobicContact CD2-CG 4.1Å; Y862-W880 AromaticContact CD2-CH2 3.92Å; Y862-W880 HydrophobicContact CD2-CH2 3.92Å; Y862-W880 AromaticContact CD2-CZ2 3.79Å; Y862-W880 HydrophobicContact CD2-CZ2 3.79Å; Y862-W880 AromaticContact CD2-CZ3 3.84Å; Y862-W880 HydrophobicContact CD2-CZ3 3.84Å; Y862-W880 AromaticContact CE2-CD2 3.95Å; Y862-W880 HydrophobicContact CE2-CD2 3.95Å; Y862-W880 HydrophobicContact CE2-CE3 4.4Å; Y862-W880 HydrophobicContact CE2-CG 4.02Å; Y862-W880 HydrophobicContact CG-CH2 4.36Å; Y862-W880 HydrophobicContact CG-CZ2 4.49Å; Y862-W880 HydrophobicContact CG-CZ3 4.39Å; Y862-I923 HydrophobicContact CD1-CG2 4.28Å; Y862-I923 HydrophobicContact CD2-CG2 3.95Å; Y862-I923 HydrophobicContact CG-CG2 3.72Å; Y862-H927 HydrophobicContact CD1-CB 4.26Å; Y862-H927 AromaticContact CD1-CD2 3.63Å; Y862-H927 AromaticContact CD1-CG 3.93Å; Y862-H927 HydrophobicContact CE1-CB 3.5Å; Y862-H927 VanDerWaalsContact CE1-CB 3.5Å; Y862-H927 AromaticContact CE1-CD2 3.76Å; Y862-H927 AromaticContact CE1-CG 3.67Å
863K83.9Confident79.1Confident96 Ų9665.5 Ų65.542%0.41731%0.312SS..Hα-helixtrans-58.8-34.3176.3-72.6168.2178.8158.10113.1D859 L861 K867 H927D859-K863 WeakPolarHBondContact O-CG 3.47Å; D859-K863 PolarHBondContact O-N 2.88Å; D859-K863 VanDerWaalsContact O-N 3.09Å; D859-K863 IonicContact OD1-NZ 2.94Å; D859-K863 WeakPolarHBondContact OD2-CE 3.27Å; D859-K863 IonicContact OD2-NZ 2.67Å; D859-K863 PolarHBondContact OD2-NZ 2.81Å; L861-K863 PolarHBondContact O-N 3.29Å; K863-K867 VanDerWaalsContact O-CB 3.31Å; K863-K867 WeakPolarHBondContact O-CB 3.4Å; K863-K867 PolarHBondContact O-N 2.86Å; K863-K867 VanDerWaalsContact O-N 3.11Å; K863-H927 VanDerWaalsContact CE-CE1 3.41Å; K863-H927 WeakPolarHBondContact CE-CE1 3.34Å
864K83.1Confident78.6Confident78 Ų7864.7 Ų64.734%0.33932%0.319SS..Hα-helixtrans-72-42.3178.1-174174.7178.3177.40111.4N860 L861 Y862 K867 H868N860-K864 WeakPolarHBondContact O-CB 3.4Å; N860-K864 PolarHBondContact O-N 3.24Å; L861-K864 WeakPolarHBondContact O-CB 3.33Å; L861-K864 PolarHBondContact O-N 3.02Å; L861-K864 VanDerWaalsContact O-N 3.09Å; Y862-K864 PolarHBondContact O-N 3.37Å; K864-K867 PolarHBondContact O-N 3.49Å; K864-H868 PolarHBondContact O-CD2 3.18Å; K864-H868 PolarHBondContact O-N 3.35Å; K864-H868 VanDerWaalsContact O-N 3.12Å; K864-H868 PolarHBondContact O-ND1 2.95Å
865V83.8Confident78.6Confident0 Ų064.9 Ų64.90%032%0.32CS..Hα-helixtrans-66.1-47.3177.2174.20000110.6Y799 L861 Y862 K867 H868 L869 L876 V879 M883Y799-V865 HydrophobicContact CE1-CG1 4.41Å; Y799-V865 HydrophobicContact CE1-CG2 4.31Å; L861-V865 HydrophobicContact CD1-CG2 4.11Å; L861-V865 HydrophobicContact CG-CG2 4.32Å; L861-V865 VanDerWaalsContact O-CG2 3.26Å; L861-V865 WeakPolarHBondContact O-CG2 3.44Å; L861-V865 PolarHBondContact O-N 2.81Å; Y862-V865 PolarHBondContact O-N 3.04Å; Y862-V865 VanDerWaalsContact O-N 3.16Å; V865-K867 VanDerWaalsContact C-N 3.32Å; V865-K867 PolarHBondContact O-N 3.29Å; V865-H868 PolarHBondContact O-N 3.48Å; V865-L869 HydrophobicContact CG1-CD1 3.5Å; V865-L869 VanDerWaalsContact CG1-CD1 3.5Å; V865-L869 HydrophobicContact CG1-CG 4.14Å; V865-L869 WeakPolarHBondContact O-CG 3.36Å; V865-L869 PolarHBondContact O-N 3.34Å; V865-L876 HydrophobicContact CG1-CD1 3.86Å; V865-V879 HydrophobicContact CG1-CG1 3.94Å; V865-M883 HydrophobicContact CG2-CE 3.43Å; V865-M883 VanDerWaalsContact CG2-CE 3.43Å; V865-M883 HydrophobicContact CG2-SD 3.8Å
866D83.1Confident78.7Confident77 Ų7762.8 Ų62.841%0.41231%0.312SS..Hα-helixtrans-56.1-44.9175-178.253.6000111.9Y862 H868 L869 L876Y862-D866 WeakPolarHBondContact O-CB 3.25Å; Y862-D866 PolarHBondContact O-N 3.49Å; D866-H868 VanDerWaalsContact C-N 3.28Å; D866-H868 PolarHBondContact O-N 3.02Å; D866-L869 PolarHBondContact O-N 2.9Å; D866-L876 HydrophobicContact CB-CD1 4.18Å; D866-L876 HydrophobicContact CB-CD2 4.34Å; D866-L876 WeakPolarHBondContact OD1-CD2 3.35Å
867K82.1Confident78.7Confident162 Ų16263.5 Ų63.570%0.70432%0.318SS*.Hα-helixtrans-63-32.6175.1-170.5174.5-177.7176.20113.4K701 K863 K864 V865K701-K867 WeakPolarHBondContact CE-O 3.27Å; K701-K867 PolarHBondContact NZ-O 3.06Å; K863-K867 VanDerWaalsContact O-CB 3.31Å; K863-K867 WeakPolarHBondContact O-CB 3.4Å; K863-K867 PolarHBondContact O-N 2.86Å; K863-K867 VanDerWaalsContact O-N 3.11Å; K864-K867 PolarHBondContact O-N 3.49Å; V865-K867 VanDerWaalsContact C-N 3.32Å; V865-K867 PolarHBondContact O-N 3.29Å
868H80Confident78.8Confident35 Ų3566 Ų6616%0.16233%0.329CS..Hα-helixtrans-80.1-31.8179.6-67.6168.2000113.4K701 V760 Y799 K864 V865 D866K701-H868 WeakPolarHBondContact CE-O 3.49Å; V760-H868 HydrophobicContact CG2-CB 4.42Å; Y799-H868 PolarHBondContact OH-ND1 3Å; Y799-H868 VanDerWaalsContact OH-ND1 3.08Å; K864-H868 PolarHBondContact O-CD2 3.18Å; K864-H868 PolarHBondContact O-N 3.35Å; K864-H868 VanDerWaalsContact O-N 3.12Å; K864-H868 PolarHBondContact O-ND1 2.95Å; V865-H868 PolarHBondContact O-N 3.48Å; D866-H868 VanDerWaalsContact C-N 3.28Å; D866-H868 PolarHBondContact O-N 3.02Å
869L79.4Confident78.9Confident8 Ų866 Ų664%0.04233%0.329CS..SBendtrans-88.6138.4-174.3-67.5172.8000113.1K701 V760 M763 E764 V865 D866 L876 V879K701-L869 PolarHBondContact NZ-O 3.02Å; V760-L869 HydrophobicContact CG1-CD2 3.95Å; M763-L869 HydrophobicContact CE-CD2 3.48Å; M763-L869 VanDerWaalsContact CE-CD2 3.48Å; E764-L869 HydrophobicContact CG-CD2 4.26Å; E764-L869 WeakPolarHBondContact OE1-CA 3.29Å; E764-L869 WeakPolarHBondContact OE1-CD2 3.35Å; V865-L869 HydrophobicContact CG1-CD1 3.5Å; V865-L869 VanDerWaalsContact CG1-CD1 3.5Å; V865-L869 HydrophobicContact CG1-CG 4.14Å; V865-L869 WeakPolarHBondContact O-CG 3.36Å; V865-L869 PolarHBondContact O-N 3.34Å; D866-L869 PolarHBondContact O-N 2.9Å; L869-L876 HydrophobicContact CD1-CB 4.19Å; L869-L876 HydrophobicContact CD1-CD1 3.82Å; L869-V879 HydrophobicContact CD1-CB 4.26Å; L869-V879 HydrophobicContact CD1-CG2 4.09Å; L869-V879 HydrophobicContact CD2-CG2 4.49Å
870C69.8Low79.1Confident34 Ų3465 Ų6523%0.2332%0.323CS..  trans-75.8146.1172.6-88.30000112G703 E764 E872G703-C870 WeakPolarHBondContact CA-SG 3.43Å; E764-C870 PolarHBondContact OE1-N 3.12Å; C870-E872 VanDerWaalsContact C-N 3.29Å; C870-E872 PolarHBondContact O-N 3.22Å
871E63.7Low79.3Confident184 Ų18465.6 Ų65.686%0.8632%0.322SS*.G310 helixtrans-72.8-17.8-174.6-67.8176.6-177.400113.5E873E871-E873 PolarHBondContact O-N 3.05Å
872E60.1Low79.3Confident151 Ų15165.9 Ų65.971%0.70633%0.325SS*.G310 helixtrans-66.3-31.1-168-71.9-179.1158.600115.1I704 C870I704-E872 HydrophobicContact CD1-CB 4.39Å; C870-E872 VanDerWaalsContact C-N 3.29Å; C870-E872 PolarHBondContact O-N 3.22Å
873E61.9Low79.4Confident44 Ų4465 Ų6521%0.20632%0.322CS..G310 helixtrans-108.94.8-175.8-68.6-164.1137.500115I704 H767 H768 E871 L875I704-E873 HydrophobicContact CD1-CG 4.02Å; H767-E873 IonicContact CD2-OE1 2.91Å; H767-E873 IonicContact CD2-OE2 2.93Å; H767-E873 PolarHBondContact CD2-OE2 2.73Å; H767-E873 VanDerWaalsContact CD2-OE2 3.24Å; H767-E873 IonicContact CG-OE2 3.02Å; H768-E873 WeakPolarHBondContact CA-OE1 3.3Å; H768-E873 WeakPolarHBondContact CB-OE1 3.41Å; H768-E873 IonicContact CE1-OE1 2.83Å; H768-E873 IonicContact CG-OE1 2.79Å; H768-E873 VanDerWaalsContact CG-OE1 3.32Å; H768-E873 IonicContact ND1-OE1 3.58Å; H768-E873 PolarHBondContact ND1-OE1 2.89Å; E871-E873 PolarHBondContact O-N 3.05Å; E873-L875 HydrophobicContact CB-CD1 3.99Å; E873-L875 HydrophobicContact CB-CG 3.8Å; E873-L875 PolarHBondContact O-N 3.39Å
874S70.6Confident79.6Confident96 Ų9662 Ų6267%0.67131%0.309SS*.  trans50.830.4-178.8-60.20000114.1L876S874-L876 PolarHBondContact O-N 3.24Å
875L81.4Confident79.8Confident6 Ų662.4 Ų62.43%0.03132%0.315CS..Hα-helixtrans-71.6-13-176.5-73.6173.6000113.7E764 H767 E873 Q877 V878 V879E764-L875 HydrophobicContact CG-CD1 4.15Å; H767-L875 HydrophobicContact CB-CD1 4.15Å; E873-L875 HydrophobicContact CB-CD1 3.99Å; E873-L875 HydrophobicContact CB-CG 3.8Å; E873-L875 PolarHBondContact O-N 3.39Å; L875-Q877 VanDerWaalsContact C-N 3.31Å; L875-Q877 PolarHBondContact O-N 3.33Å; L875-V878 PolarHBondContact O-N 3.43Å; L875-V878 VanDerWaalsContact O-N 3.13Å; L875-V879 VanDerWaalsContact O-CG2 3.3Å; L875-V879 WeakPolarHBondContact O-CG2 3.43Å; L875-V879 PolarHBondContact O-N 3.39Å
876L83.1Confident79.9Confident32 Ų3263.4 Ų63.417%0.16832%0.32CS..Hα-helixtrans-54.4-45.8-178.1-17863.7000112.3Y862 V865 D866 L869 S874 V878 V879 W880Y862-L876 HydrophobicContact CE1-CD2 4.44Å; Y862-L876 HydrophobicContact CE2-CG 4.5Å; Y862-L876 WeakPolarHBondContact OH-CD2 3.44Å; V865-L876 HydrophobicContact CG1-CD1 3.86Å; D866-L876 HydrophobicContact CB-CD1 4.18Å; D866-L876 HydrophobicContact CB-CD2 4.34Å; D866-L876 WeakPolarHBondContact OD1-CD2 3.35Å; L869-L876 HydrophobicContact CD1-CB 4.19Å; L869-L876 HydrophobicContact CD1-CD1 3.82Å; S874-L876 PolarHBondContact O-N 3.24Å; L876-V878 PolarHBondContact O-N 2.91Å; L876-V879 PolarHBondContact O-N 2.88Å; L876-W880 WeakPolarHBondContact O-CB 3.44Å; L876-W880 PolarHBondContact O-N 3.03Å
877Q83Confident80Confident161 Ų16159.8 Ų59.875%0.75230%0.3SS*.Hα-helixtrans-66.5-39.3179.7-68.5-174.6-5.100112.3L875 W880 H881L875-Q877 VanDerWaalsContact C-N 3.31Å; L875-Q877 PolarHBondContact O-N 3.33Å; Q877-W880 PolarHBondContact O-N 2.82Å; Q877-H881 WeakPolarHBondContact O-CB 3.35Å; Q877-H881 PolarHBondContact O-N 2.8Å
878V84.8Confident80.1Confident71 Ų7153.1 Ų53.143%0.4327%0.272SS..Hα-helixtrans-66.9-45.2179.3-178.60000110.4L875 L876 H881 S882L875-V878 PolarHBondContact O-N 3.43Å; L875-V878 VanDerWaalsContact O-N 3.13Å; L876-V878 PolarHBondContact O-N 2.91Å; V878-H881 PolarHBondContact O-N 3.4Å; V878-S882 WeakPolarHBondContact O-CB 3.49Å; V878-S882 PolarHBondContact O-N 2.91Å
879V86Confident80.4Confident0 Ų059.3 Ų59.30%029%0.294CS..Hα-helixtrans-63.6-43.3175.6176.70000110.2M763 L796 Y799 V865 L869 L875 L876 S882 M883M763-V879 HydrophobicContact CE-CG2 3.66Å; M763-V879 HydrophobicContact SD-CG2 3.86Å; L796-V879 HydrophobicContact CD1-CB 4.36Å; L796-V879 HydrophobicContact CD1-CG1 4.4Å; L796-V879 HydrophobicContact CD1-CG2 3.83Å; Y799-V879 HydrophobicContact CD1-CG1 4.3Å; Y799-V879 HydrophobicContact CE1-CG1 4.2Å; V865-V879 HydrophobicContact CG1-CG1 3.94Å; L869-V879 HydrophobicContact CD1-CB 4.26Å; L869-V879 HydrophobicContact CD1-CG2 4.09Å; L869-V879 HydrophobicContact CD2-CG2 4.49Å; L875-V879 VanDerWaalsContact O-CG2 3.3Å; L875-V879 WeakPolarHBondContact O-CG2 3.43Å; L875-V879 PolarHBondContact O-N 3.39Å; L876-V879 PolarHBondContact O-N 2.88Å; V879-S882 CarbonylContact O-C 3.57Å; V879-S882 PolarHBondContact O-N 3.48Å; V879-M883 HydrophobicContact CG1-CE 3.96Å; V879-M883 HydrophobicContact CG1-CG 4.44Å; V879-M883 HydrophobicContact CG1-SD 4.4Å; V879-M883 WeakPolarHBondContact O-CG 3.32Å; V879-M883 PolarHBondContact O-N 2.98Å
880W88.4Confident80.6Confident12 Ų1260 Ų605%0.04530%0.297CS..Hα-helixtrans-64.3-41.1179.8-169.5-120.6000112.6L858 L861 Y862 L876 Q877 M883 Q884 F920 I923L858-W880 HydrophobicContact CB-CH2 4.41Å; L861-W880 HydrophobicContact CG-CZ3 4.5Å; Y862-W880 AromaticContact CD2-CD2 3.52Å; Y862-W880 HydrophobicContact CD2-CD2 3.52Å; Y862-W880 AromaticContact CD2-CE2 3.58Å; Y862-W880 AromaticContact CD2-CE3 3.64Å; Y862-W880 HydrophobicContact CD2-CE3 3.64Å; Y862-W880 HydrophobicContact CD2-CG 4.1Å; Y862-W880 AromaticContact CD2-CH2 3.92Å; Y862-W880 HydrophobicContact CD2-CH2 3.92Å; Y862-W880 AromaticContact CD2-CZ2 3.79Å; Y862-W880 HydrophobicContact CD2-CZ2 3.79Å; Y862-W880 AromaticContact CD2-CZ3 3.84Å; Y862-W880 HydrophobicContact CD2-CZ3 3.84Å; Y862-W880 AromaticContact CE2-CD2 3.95Å; Y862-W880 HydrophobicContact CE2-CD2 3.95Å; Y862-W880 HydrophobicContact CE2-CE3 4.4Å; Y862-W880 HydrophobicContact CE2-CG 4.02Å; Y862-W880 HydrophobicContact CG-CH2 4.36Å; Y862-W880 HydrophobicContact CG-CZ2 4.49Å; Y862-W880 HydrophobicContact CG-CZ3 4.39Å; L876-W880 WeakPolarHBondContact O-CB 3.44Å; L876-W880 PolarHBondContact O-N 3.03Å; Q877-W880 PolarHBondContact O-N 2.82Å; W880-M883 HydrophobicContact CE3-CB 4.4Å; W880-M883 HydrophobicContact CE3-SD 4.06Å; W880-M883 HydrophobicContact CZ3-SD 4.23Å; W880-M883 WeakPolarHBondContact O-CB 3.4Å; W880-M883 PolarHBondContact O-N 3.14Å; W880-Q884 PolarHBondContact O-N 2.99Å; W880-F920 AromaticContact CD2-CD1 4Å; W880-F920 HydrophobicContact CD2-CD1 4Å; W880-F920 HydrophobicContact CD2-CE1 4.18Å; W880-F920 AromaticContact CE2-CD1 3.35Å; W880-F920 AromaticContact CE2-CE1 3.86Å; W880-F920 HydrophobicContact CE3-CE1 4.29Å; W880-F920 AromaticContact CH2-CD1 4Å; W880-F920 HydrophobicContact CH2-CD1 4Å; W880-F920 AromaticContact CH2-CE1 3.81Å; W880-F920 HydrophobicContact CH2-CE1 3.81Å; W880-F920 AromaticContact CZ2-CD1 3.36Å; W880-F920 HydrophobicContact CZ2-CD1 3.36Å; W880-F920 AromaticContact CZ2-CE1 3.69Å; W880-F920 HydrophobicContact CZ2-CE1 3.69Å; W880-F920 HydrophobicContact CZ2-CG 4.18Å; W880-F920 HydrophobicContact CZ3-CE1 4.12Å; W880-F920 AromaticContact NE1-CD1 3.6Å; W880-F920 PolarHBondContact NE1-O 3.48Å; W880-I923 HydrophobicContact CH2-CG2 4.35Å; W880-I923 HydrophobicContact CZ2-CB 4.14Å; W880-I923 HydrophobicContact CZ2-CD1 4.32Å; W880-I923 HydrophobicContact CZ2-CG2 3.83Å
881H86.4Confident81.3Confident104 Ų10459.4 Ų59.448%0.48129%0.29SS..Hα-helixtrans-65.2-41.8173.4-171.456.6000111.8Q877 V878 M883 Q884 D885Q877-H881 WeakPolarHBondContact O-CB 3.35Å; Q877-H881 PolarHBondContact O-N 2.8Å; V878-H881 PolarHBondContact O-N 3.4Å; H881-M883 VanDerWaalsContact C-N 3.27Å; H881-M883 PolarHBondContact O-N 3.17Å; H881-Q884 PolarHBondContact ND1-OE1 2.92Å; H881-Q884 WeakPolarHBondContact O-CB 3.36Å; H881-Q884 PolarHBondContact O-N 3.46Å; H881-D885 IonicContact NE2-OD2 3.86Å; H881-D885 PolarHBondContact O-N 2.94Å
882S86.1Confident82.3Confident15 Ų1556.7 Ų56.711%0.10528%0.275CS..Hα-helixtrans-63.1-34.1173.4-170.10000112.3Q797 V878 V879 E886Q797-S882 PolarHBondContact NE2-OG 3.43Å; V878-S882 WeakPolarHBondContact O-CB 3.49Å; V878-S882 PolarHBondContact O-N 2.91Å; V879-S882 CarbonylContact O-C 3.57Å; V879-S882 PolarHBondContact O-N 3.48Å; S882-E886 WeakPolarHBondContact O-CB 3.31Å; S882-E886 PolarHBondContact O-N 3.42Å; S882-E886 VanDerWaalsContact O-N 3.1Å
883M86.8Confident83.6Confident0 Ų053.1 Ų53.10%026%0.259CS..Hα-helixtrans-67.7-39.9174-75.7-173.1171.500112.1Y799 V800 L804 L861 V865 V879 W880 H881 F887 F920Y799-M883 HydrophobicContact CD1-CE 4.17Å; Y799-M883 HydrophobicContact CE1-CE 3.84Å; V800-M883 HydrophobicContact CB-CG 4.38Å; V800-M883 HydrophobicContact CG1-CG 4Å; V800-M883 HydrophobicContact CG2-CE 4.4Å; V800-M883 HydrophobicContact CG2-CG 3.86Å; L804-M883 HydrophobicContact CD1-CB 4.45Å; L804-M883 HydrophobicContact CD2-CB 4.29Å; L804-M883 HydrophobicContact CG-CG 4.48Å; L861-M883 HydrophobicContact CD2-SD 3.98Å; L861-M883 HydrophobicContact CG-SD 4.22Å; V865-M883 HydrophobicContact CG2-CE 3.43Å; V865-M883 VanDerWaalsContact CG2-CE 3.43Å; V865-M883 HydrophobicContact CG2-SD 3.8Å; V879-M883 HydrophobicContact CG1-CE 3.96Å; V879-M883 HydrophobicContact CG1-CG 4.44Å; V879-M883 HydrophobicContact CG1-SD 4.4Å; V879-M883 WeakPolarHBondContact O-CG 3.32Å; V879-M883 PolarHBondContact O-N 2.98Å; W880-M883 HydrophobicContact CE3-CB 4.4Å; W880-M883 HydrophobicContact CE3-SD 4.06Å; W880-M883 HydrophobicContact CZ3-SD 4.23Å; W880-M883 WeakPolarHBondContact O-CB 3.4Å; W880-M883 PolarHBondContact O-N 3.14Å; H881-M883 VanDerWaalsContact C-N 3.27Å; H881-M883 PolarHBondContact O-N 3.17Å; M883-F887 VanDerWaalsContact O-CB 3.24Å; M883-F887 WeakPolarHBondContact O-CB 3.39Å; M883-F887 PolarHBondContact O-N 3.45Å; M883-F920 HydrophobicContact CB-CE1 4.36Å
884Q87.3Confident84.6Confident33 Ų3351.3 Ų51.315%0.15425%0.25CS..Hα-helixtrans-60.4-49.6174.1179.2-171-12.600111.2W880 H881 E886 F887 I888 L917 F920W880-Q884 PolarHBondContact O-N 2.99Å; H881-Q884 PolarHBondContact ND1-OE1 2.92Å; H881-Q884 WeakPolarHBondContact O-CB 3.36Å; H881-Q884 PolarHBondContact O-N 3.46Å; Q884-E886 PolarHBondContact O-N 3.32Å; Q884-F887 PolarHBondContact O-N 2.9Å; Q884-I888 HydrophobicContact CG-CD1 3.97Å; Q884-I888 VanDerWaalsContact O-CG1 3.24Å; Q884-I888 WeakPolarHBondContact O-CG1 3.47Å; Q884-I888 PolarHBondContact O-N 3.17Å; Q884-L917 HydrophobicContact CG-CD2 4.46Å; Q884-F920 HydrophobicContact CB-CD1 3.66Å; Q884-F920 HydrophobicContact CB-CD2 4.45Å; Q884-F920 HydrophobicContact CB-CE1 3.83Å; Q884-F920 HydrophobicContact CB-CG 4.01Å; Q884-F920 HydrophobicContact CB-CZ 4.29Å; Q884-F920 HydrophobicContact CG-CB 4.28Å; Q884-F920 HydrophobicContact CG-CD1 4.14Å; Q884-F920 HydrophobicContact CG-CD2 4.22Å; Q884-F920 HydrophobicContact CG-CG 3.96Å
885D87.7Confident85.2Confident85 Ų8550.1 Ų50.146%0.45523%0.234SC..Hα-helixtrans-61.5-42.9-179.8-79.6-12.1000112.2H881 I888 R889H881-D885 IonicContact NE2-OD2 3.86Å; H881-D885 PolarHBondContact O-N 2.94Å; D885-I888 PolarHBondContact O-N 3.28Å; D885-R889 WeakPolarHBondContact O-CB 3.42Å; D885-R889 PolarHBondContact O-N 3.49Å
886E85.8Confident85.3Confident22 Ų2251.3 Ų51.310%0.10325%0.248CC..Hα-helixtrans-71.4-36.8178.6-172.958.2-152.500111.8V800 I801 L804 S882 Q884 I888 R889 Q890V800-E886 HydrophobicContact CG1-CB 3.59Å; V800-E886 HydrophobicContact CG1-CG 3.94Å; I801-E886 HydrophobicContact CG1-CG 4.21Å; L804-E886 HydrophobicContact CD1-CB 3.56Å; L804-E886 HydrophobicContact CD1-CG 3.67Å; S882-E886 WeakPolarHBondContact O-CB 3.31Å; S882-E886 PolarHBondContact O-N 3.42Å; S882-E886 VanDerWaalsContact O-N 3.1Å; Q884-E886 PolarHBondContact O-N 3.32Å; E886-I888 VanDerWaalsContact C-N 3.34Å; E886-I888 PolarHBondContact O-N 2.88Å; E886-R889 WeakPolarHBondContact O-CB 3.47Å; E886-R889 PolarHBondContact O-N 2.94Å; E886-R889 VanDerWaalsContact O-N 3.16Å; E886-R889 WeakPolarHBondContact OE2-CD 3.49Å; E886-R889 IonicContact OE2-NE 3.85Å; E886-Q890 WeakPolarHBondContact O-CG 3.39Å; E886-Q890 PolarHBondContact O-N 2.92Å
887F85Confident85.3Confident1 Ų150 Ų500%0.00424%0.241CC..Hα-helixtrans-62.8-41.6173.3-167.2-94.7000111.8L804 L808 V854 L858 M883 Q884 R889 Q890 Y891 F911 M916 F920L804-F887 HydrophobicContact CD2-CB 4.06Å; L804-F887 HydrophobicContact CD2-CD2 3.86Å; L804-F887 HydrophobicContact CD2-CG 4.43Å; L808-F887 HydrophobicContact CD1-CD2 4.31Å; L808-F887 HydrophobicContact CD1-CE2 3.41Å; L808-F887 VanDerWaalsContact CD1-CE2 3.41Å; L808-F887 HydrophobicContact CD1-CZ 3.64Å; L808-F887 HydrophobicContact CG-CE2 3.93Å; L808-F887 HydrophobicContact CG-CZ 4.27Å; V854-F887 HydrophobicContact CG1-CE1 4.41Å; V854-F887 HydrophobicContact CG1-CZ 3.79Å; L858-F887 HydrophobicContact CD2-CD2 4.43Å; L858-F887 HydrophobicContact CD2-CE2 4.32Å; M883-F887 VanDerWaalsContact O-CB 3.24Å; M883-F887 WeakPolarHBondContact O-CB 3.39Å; M883-F887 PolarHBondContact O-N 3.45Å; Q884-F887 PolarHBondContact O-N 2.9Å; F887-R889 VanDerWaalsContact C-N 3.31Å; F887-R889 PolarHBondContact O-N 3.31Å; F887-Q890 PolarHBondContact O-N 3.44Å; F887-Y891 WeakPolarHBondContact O-CB 3.28Å; F887-Y891 PolarHBondContact O-N 3.43Å; F887-F911 HydrophobicContact CE1-CE2 4.3Å; F887-M916 HydrophobicContact CD1-CG 4.37Å; F887-M916 HydrophobicContact CD1-SD 3.7Å; F887-M916 HydrophobicContact CE1-CG 3.96Å; F887-M916 HydrophobicContact CE1-SD 3.55Å; F887-M916 VanDerWaalsContact CE1-SD 3.55Å; F887-F920 HydrophobicContact CB-CE2 4.14Å; F887-F920 HydrophobicContact CB-CZ 3.97Å; F887-F920 AromaticContact CD1-CE2 3.94Å; F887-F920 HydrophobicContact CD1-CE2 3.94Å; F887-F920 HydrophobicContact CG-CE2 4.08Å; F887-F920 HydrophobicContact CG-CZ 4.19Å
888I85.9Confident85.3Confident21 Ų2142.7 Ų42.711%0.10821%0.207CC..Hα-helixtrans-63.6-39.5174-68.6166.3000110.5Q884 D885 E886 Y891 K892 I913 L917Q884-I888 HydrophobicContact CG-CD1 3.97Å; Q884-I888 VanDerWaalsContact O-CG1 3.24Å; Q884-I888 WeakPolarHBondContact O-CG1 3.47Å; Q884-I888 PolarHBondContact O-N 3.17Å; D885-I888 PolarHBondContact O-N 3.28Å; E886-I888 VanDerWaalsContact C-N 3.34Å; E886-I888 PolarHBondContact O-N 2.88Å; I888-Y891 PolarHBondContact O-N 2.82Å; I888-K892 HydrophobicContact CG2-CD 4.24Å; I888-K892 WeakPolarHBondContact O-CG 3.4Å; I888-K892 PolarHBondContact O-N 3.31Å; I888-I913 HydrophobicContact CG2-CG2 4.47Å; I888-L917 HydrophobicContact CD1-CD2 3.79Å
889R86.3Confident85.2Confident165 Ų16541.8 Ų41.862%0.62321%0.212SC*.Hα-helixtrans-63.1-48.7176.1-175-176.2-73.5-164.8-2.8111.4D885 E886 F887 Y891 K892 H893D885-R889 WeakPolarHBondContact O-CB 3.42Å; D885-R889 PolarHBondContact O-N 3.49Å; E886-R889 WeakPolarHBondContact O-CB 3.47Å; E886-R889 PolarHBondContact O-N 2.94Å; E886-R889 VanDerWaalsContact O-N 3.16Å; E886-R889 WeakPolarHBondContact OE2-CD 3.49Å; E886-R889 IonicContact OE2-NE 3.85Å; F887-R889 VanDerWaalsContact C-N 3.31Å; F887-R889 PolarHBondContact O-N 3.31Å; R889-Y891 VanDerWaalsContact C-N 3.33Å; R889-Y891 PolarHBondContact O-N 2.89Å; R889-K892 PolarHBondContact O-N 2.82Å; R889-H893 WeakPolarHBondContact O-CB 3.46Å; R889-H893 PolarHBondContact O-N 2.87Å
890Q82.5Confident85Confident24 Ų2447 Ų4711%0.11223%0.232CC..Hα-helixtrans-59.5-43.2176-73.3-173.6-6.400111.7E886 F887 H893 F894E886-Q890 WeakPolarHBondContact O-CG 3.39Å; E886-Q890 PolarHBondContact O-N 2.92Å; F887-Q890 PolarHBondContact O-N 3.44Å; Q890-H893 WeakPolarHBondContact O-CB 3.32Å; Q890-H893 PolarHBondContact O-N 3.48Å; Q890-F894 HydrophobicContact CB-CE2 4.22Å; Q890-F894 HydrophobicContact CB-CZ 4.45Å; Q890-F894 VanDerWaalsContact O-CD2 3.28Å; Q890-F894 WeakPolarHBondContact O-CD2 3.49Å; Q890-F894 VanDerWaalsContact O-CG 3.3Å; Q890-F894 WeakPolarHBondContact O-CG 3.33Å; Q890-F894 PolarHBondContact O-N 3.47Å
891Y84.7Confident84.6Confident21 Ų2146.4 Ų46.48%0.08223%0.229CC..Hα-helixtrans-60.5-48.3175.9176.2-94.1000112.6F887 I888 R889 H893 F894 E895 M909 F911 I913 M916F887-Y891 WeakPolarHBondContact O-CB 3.28Å; F887-Y891 PolarHBondContact O-N 3.43Å; I888-Y891 PolarHBondContact O-N 2.82Å; R889-Y891 VanDerWaalsContact C-N 3.33Å; R889-Y891 PolarHBondContact O-N 2.89Å; Y891-H893 PolarHBondContact O-N 2.93Å; Y891-F894 PolarHBondContact O-N 3.43Å; Y891-E895 HydrophobicContact CD1-CG 4.3Å; Y891-E895 HydrophobicContact CE1-CG 3.8Å; Y891-E895 HydrophobicContact CE2-CG 4.43Å; Y891-E895 PolarHBondContact O-N 2.91Å; Y891-M909 HydrophobicContact CD2-CB 4.47Å; Y891-M909 HydrophobicContact CD2-CE 4.31Å; Y891-M909 HydrophobicContact CD2-CG 4.24Å; Y891-M909 HydrophobicContact CE2-CB 3.5Å; Y891-M909 HydrophobicContact CE2-CE 4.36Å; Y891-M909 HydrophobicContact CE2-CG 3.68Å; Y891-F911 HydrophobicContact CD2-CE2 4.09Å; Y891-F911 HydrophobicContact CD2-CZ 4.48Å; Y891-F911 HydrophobicContact CE2-CD2 4.33Å; Y891-F911 HydrophobicContact CE2-CE2 4.12Å; Y891-F911 WeakPolarHBondContact CE2-O 3.44Å; Y891-F911 PolarHBondContact OH-O 3.11Å; Y891-I913 HydrophobicContact CD1-CD1 4.3Å; Y891-I913 HydrophobicContact CD1-CG1 3.78Å; Y891-I913 HydrophobicContact CE1-CD1 4.22Å; Y891-I913 HydrophobicContact CE1-CG1 3.6Å; Y891-M916 HydrophobicContact CD1-CE 3.62Å; Y891-M916 HydrophobicContact CD2-CE 3.05Å; Y891-M916 HydrophobicContact CD2-SD 4.25Å; Y891-M916 HydrophobicContact CE1-CE 3.76Å; Y891-M916 HydrophobicContact CE2-CE 3.14Å; Y891-M916 HydrophobicContact CG-CE 3.24Å; Y891-M916 HydrophobicContact CG-SD 4.11Å; Y891-M916 VanDerWaalsContact CZ-CE 3.5Å
892K85.6Confident84.3Confident126 Ų12641.6 Ų41.655%0.54821%0.207SC..Hα-helixtrans-60.2-36176.1-75.1176.8179.9176.70111.7I888 R889 G896 I913I888-K892 HydrophobicContact CG2-CD 4.24Å; I888-K892 WeakPolarHBondContact O-CG 3.4Å; I888-K892 PolarHBondContact O-N 3.31Å; R889-K892 PolarHBondContact O-N 2.82Å; K892-G896 PolarHBondContact O-N 2.88Å; K892-I913 HydrophobicContact CG-CD1 4.27Å
893H85.5Confident83.6Confident76 Ų7644.1 Ų44.135%0.35222%0.223SC..Hα-helixtrans-65.7-46.8176.1-174.559.6000112E819 R889 Q890 Y891 G896 L897E819-H893 IonicContact OE1-CD2 2.78Å; E819-H893 IonicContact OE1-CE1 3.94Å; E819-H893 PolarHBondContact OE1-CE1 3.26Å; E819-H893 IonicContact OE1-NE2 3.94Å; E819-H893 PolarHBondContact OE1-NE2 3.41Å; E819-H893 IonicContact OE2-NE2 2.84Å; R889-H893 WeakPolarHBondContact O-CB 3.46Å; R889-H893 PolarHBondContact O-N 2.87Å; Q890-H893 WeakPolarHBondContact O-CB 3.32Å; Q890-H893 PolarHBondContact O-N 3.48Å; Y891-H893 PolarHBondContact O-N 2.93Å; H893-G896 CarbonylContact O-C 3.55Å; H893-G896 PolarHBondContact O-N 3.13Å; H893-L897 PolarHBondContact O-N 3.02Å
894F84.8Confident82.6Confident7 Ų748.4 Ų48.43%0.03127%0.267CS..Hα-helixtrans-62-46.6174.7-61.1-34.8000112.5L808 L811 N812 F815 Q890 Y891 G896 L897 I898L808-F894 HydrophobicContact CD1-CE2 4.33Å; L811-F894 HydrophobicContact CD2-CD2 3.89Å; L811-F894 HydrophobicContact CD2-CE2 3.93Å; L811-F894 HydrophobicContact CG-CD2 4.46Å; L811-F894 HydrophobicContact CG-CE2 4.37Å; N812-F894 VanDerWaalsContact OD1-CZ 3.28Å; N812-F894 WeakPolarHBondContact OD1-CZ 3.15Å; F815-F894 HydrophobicContact CB-CD1 3.76Å; F815-F894 HydrophobicContact CB-CE1 3.72Å; F815-F894 HydrophobicContact CD1-CD1 4.35Å; F815-F894 HydrophobicContact CD2-CB 4.2Å; F815-F894 AromaticContact CD2-CD1 3.3Å; F815-F894 HydrophobicContact CD2-CD1 3.3Å; F815-F894 HydrophobicContact CD2-CD2 4.5Å; F815-F894 AromaticContact CD2-CE1 3.73Å; F815-F894 HydrophobicContact CD2-CE1 3.73Å; F815-F894 AromaticContact CD2-CG 3.76Å; F815-F894 HydrophobicContact CD2-CG 3.76Å; F815-F894 HydrophobicContact CD2-CZ 4.47Å; F815-F894 HydrophobicContact CE2-CB 3.96Å; F815-F894 AromaticContact CE2-CD1 3.96Å; F815-F894 HydrophobicContact CE2-CD1 3.96Å; F815-F894 AromaticContact CE2-CG 3.96Å; F815-F894 HydrophobicContact CE2-CG 3.96Å; F815-F894 AromaticContact CG-CD1 3.55Å; F815-F894 HydrophobicContact CG-CD1 3.55Å; F815-F894 AromaticContact CG-CE1 3.97Å; F815-F894 HydrophobicContact CG-CE1 3.97Å; F815-F894 HydrophobicContact CG-CG 4.37Å; F815-F894 HydrophobicContact CZ-CB 4.3Å; Q890-F894 HydrophobicContact CB-CE2 4.22Å; Q890-F894 HydrophobicContact CB-CZ 4.45Å; Q890-F894 VanDerWaalsContact O-CD2 3.28Å; Q890-F894 WeakPolarHBondContact O-CD2 3.49Å; Q890-F894 VanDerWaalsContact O-CG 3.3Å; Q890-F894 WeakPolarHBondContact O-CG 3.33Å; Q890-F894 PolarHBondContact O-N 3.47Å; Y891-F894 PolarHBondContact O-N 3.43Å; F894-G896 VanDerWaalsContact C-N 3.26Å; F894-G896 PolarHBondContact O-N 3.05Å; F894-L897 PolarHBondContact O-N 3.5Å; F894-L897 VanDerWaalsContact O-N 3.13Å; F894-I898 WeakPolarHBondContact O-CB 3.32Å; F894-I898 WeakPolarHBondContact O-CG1 3.46Å; F894-I898 PolarHBondContact O-N 3.35Å
895E82.9Confident81.5Confident70 Ų7047.7 Ų47.733%0.32727%0.265SS..Hα-helixtrans-57-41.4173.6-83.7-92.2130.900111.4Y891 I898 G899 M909Y891-E895 HydrophobicContact CD1-CG 4.3Å; Y891-E895 HydrophobicContact CE1-CG 3.8Å; Y891-E895 HydrophobicContact CE2-CG 4.43Å; Y891-E895 PolarHBondContact O-N 2.91Å; E895-I898 PolarHBondContact O-N 3.4Å; E895-G899 PolarHBondContact O-N 3.07Å; E895-M909 HydrophobicContact CG-CG 4.43Å; E895-M909 PolarHBondContact OE1-N 3.13Å
896G83.9Confident80.6Confident31 Ų3146.9 Ų46.932%0.3228%0.277SS..Hα-helixtrans-64.7-38.2174.500000113.9K892 H893 F894 R900K892-G896 PolarHBondContact O-N 2.88Å; H893-G896 CarbonylContact O-C 3.55Å; H893-G896 PolarHBondContact O-N 3.13Å; F894-G896 VanDerWaalsContact C-N 3.26Å; F894-G896 PolarHBondContact O-N 3.05Å; G896-R900 WeakPolarHBondContact O-CG 3.41Å; G896-R900 PolarHBondContact O-N 3.5Å; G896-R900 VanDerWaalsContact O-N 3.15Å; G896-R900 PolarHBondContact O-NE 3.24Å
897L82.4Confident80Confident5 Ų546.4 Ų46.43%0.02628%0.275CS..Hα-helixtrans-70.4-39.7174.1-75.7172.2000111.9F815 E819 H893 F894 G899 R900 C901F815-L897 HydrophobicContact CB-CD1 4.11Å; F815-L897 HydrophobicContact CD1-CB 3.99Å; F815-L897 HydrophobicContact CD1-CD1 3.9Å; F815-L897 HydrophobicContact CE1-CB 4.14Å; F815-L897 HydrophobicContact CG-CD1 4.3Å; E819-L897 HydrophobicContact CG-CD1 3.78Å; E819-L897 HydrophobicContact CG-CD2 3.97Å; H893-L897 PolarHBondContact O-N 3.02Å; F894-L897 PolarHBondContact O-N 3.5Å; F894-L897 VanDerWaalsContact O-N 3.13Å; L897-G899 VanDerWaalsContact C-N 3.34Å; L897-R900 PolarHBondContact O-N 3.28Å; L897-C901 VanDerWaalsContact O-CB 3.27Å; L897-C901 WeakPolarHBondContact O-CB 3.4Å; L897-C901 PolarHBondContact O-N 3.38Å
898I83.4Confident79.4Confident7 Ų751 Ų514%0.03630%0.304CS..Hα-helixtrans-61.4-45.9174.9-67165.8000109.9F815 L842 I846 F894 E895 R900 Y902 I907 M909F815-I898 HydrophobicContact CE1-CG1 3.76Å; F815-I898 HydrophobicContact CZ-CD1 3.78Å; F815-I898 HydrophobicContact CZ-CG1 3.5Å; F815-I898 VanDerWaalsContact CZ-CG1 3.5Å; L842-I898 HydrophobicContact CD2-CG1 4.39Å; I846-I898 HydrophobicContact CD1-CD1 4.27Å; F894-I898 WeakPolarHBondContact O-CB 3.32Å; F894-I898 WeakPolarHBondContact O-CG1 3.46Å; F894-I898 PolarHBondContact O-N 3.35Å; E895-I898 PolarHBondContact O-N 3.4Å; I898-R900 VanDerWaalsContact C-N 3.34Å; I898-R900 PolarHBondContact O-N 3.28Å; I898-Y902 CarbonylContact O-C 3.54Å; I898-Y902 WeakPolarHBondContact O-CA 3.41Å; I898-Y902 WeakPolarHBondContact O-CB 3.44Å; I898-Y902 PolarHBondContact O-N 3.08Å; I898-I907 VanDerWaalsContact CG2-O 3.26Å; I898-I907 WeakPolarHBondContact CG2-O 3.18Å; I898-M909 HydrophobicContact CD1-CG 4.33Å; I898-M909 HydrophobicContact CD1-SD 4.39Å
899G81.8Confident78.9Confident52 Ų5250.7 Ų50.754%0.53630%0.302SS..Hα-helixtrans-61.4-38.6178.400000113.6E895 L897E895-G899 PolarHBondContact O-N 3.07Å; L897-G899 VanDerWaalsContact C-N 3.34Å
900R81.4Confident78.2Confident110 Ų11048.4 Ų48.442%0.41530%0.298SS..Hα-helixtrans-81-45.4179.6-73-174.9-69.9159-8.6113.8E828 G896 L897 I898E828-R900 IonicContact OE1-CZ 3.8Å; E828-R900 IonicContact OE1-NH1 3.8Å; E828-R900 PolarHBondContact OE1-NH1 3.42Å; G896-R900 WeakPolarHBondContact O-CG 3.41Å; G896-R900 PolarHBondContact O-N 3.5Å; G896-R900 VanDerWaalsContact O-N 3.15Å; G896-R900 PolarHBondContact O-NE 3.24Å; L897-R900 PolarHBondContact O-N 3.28Å; I898-R900 VanDerWaalsContact C-N 3.34Å; I898-R900 PolarHBondContact O-N 3.28Å
901C80.1Confident78.1Confident0 Ų047.5 Ų47.50%029%0.294CS..Hα-helixtrans-89.7-18.3-171.2-600000113.9V818 E828 V831 L897 P903V818-C901 HydrophobicContact CG1-CB 4.34Å; E828-C901 VanDerWaalsContact O-CA 3.26Å; E828-C901 WeakPolarHBondContact O-CA 3.44Å; V831-C901 HydrophobicContact CB-CB 4.24Å; L897-C901 VanDerWaalsContact O-CB 3.27Å; L897-C901 WeakPolarHBondContact O-CB 3.4Å; L897-C901 PolarHBondContact O-N 3.38Å; C901-P903 VanDerWaalsContact C-CD 3.4Å
902Y80.5Confident78Confident3 Ų349.9 Ų49.91%0.01231%0.311CS..SBendtrans-131.953.2-178.5-54.3-90000112.6F837 K839 L842 I898 G904 S905F837-Y902 VanDerWaalsContact O-CE1 3.25Å; F837-Y902 WeakPolarHBondContact O-CE1 3.47Å; F837-Y902 PolarHBondContact O-OH 2.73Å; K839-Y902 HydrophobicContact CG-CD1 3.81Å; K839-Y902 HydrophobicContact CG-CE1 4.4Å; L842-Y902 HydrophobicContact CD2-CD1 4.08Å; L842-Y902 HydrophobicContact CD2-CD2 3.65Å; L842-Y902 HydrophobicContact CD2-CE1 4.17Å; L842-Y902 HydrophobicContact CD2-CE2 3.77Å; L842-Y902 HydrophobicContact CD2-CG 3.8Å; I898-Y902 CarbonylContact O-C 3.54Å; I898-Y902 WeakPolarHBondContact O-CA 3.41Å; I898-Y902 WeakPolarHBondContact O-CB 3.44Å; I898-Y902 PolarHBondContact O-N 3.08Å; Y902-G904 PolarHBondContact O-N 3.15Å; Y902-S905 VanDerWaalsContact O-CB 3.25Å; Y902-S905 WeakPolarHBondContact O-CB 3.41Å; Y902-S905 PolarHBondContact O-N 3.1Å; Y902-S905 PolarHBondContact O-OG 3.46Å
903P71.8Confident77.8Confident68 Ų6846.7 Ų46.744%0.44230%0.299SS..THydrogen-bonded Turntrans-60139.9-17926.4-33.9000111.2C901 S905C901-P903 VanDerWaalsContact C-CD 3.4Å; P903-S905 PolarHBondContact O-N 3.27Å
904G66.4Low77.6Confident89 Ų8948.6 Ų48.692%0.91831%0.308SS*.THydrogen-bonded Turntrans68.49.417900000115.7Y902Y902-G904 PolarHBondContact O-N 3.15Å
905S63.4Low77.5Confident18 Ų1850.8 Ų50.813%0.12632%0.32CS..  trans-78.7-18.8-179.865.70000114.4R843 Y902 P903 I907R843-S905 PolarHBondContact NH2-O 3.26Å; Y902-S905 VanDerWaalsContact O-CB 3.25Å; Y902-S905 WeakPolarHBondContact O-CB 3.41Å; Y902-S905 PolarHBondContact O-N 3.1Å; Y902-S905 PolarHBondContact O-OG 3.46Å; P903-S905 PolarHBondContact O-N 3.27Å; S905-I907 PolarHBondContact O-N 2.98Å
906G68Low77.5Confident68 Ų6847.4 Ų47.470%0.70130%0.304SS*.  trans60.321.4-175.500000113.4
907I73.1Confident77.5Confident13 Ų1348.4 Ų48.47%0.06730%0.302CS..  trans-89.9117.2177-60.8167.9000106.8K839 L842 R843 I846 I898 S905K839-I907 HydrophobicContact CB-CD1 4.33Å; L842-I907 HydrophobicContact CD2-CB 4.49Å; L842-I907 HydrophobicContact CD2-CD1 3.98Å; L842-I907 HydrophobicContact CD2-CG2 4.01Å; L842-I907 HydrophobicContact CG-CD1 4.5Å; L842-I907 HydrophobicContact CG-CG2 4.21Å; R843-I907 HydrophobicContact CG-CD1 3.7Å; R843-I907 HydrophobicContact CG-CG1 3.92Å; R843-I907 VanDerWaalsContact CZ-CG1 3.43Å; I846-I907 HydrophobicContact CD1-CG2 3.49Å; I846-I907 VanDerWaalsContact CD1-CG2 3.49Å; I898-I907 VanDerWaalsContact CG2-O 3.26Å; I898-I907 WeakPolarHBondContact CG2-O 3.18Å; S905-I907 PolarHBondContact O-N 2.98Å
908T72.6Confident77.6Confident98 Ų9853.4 Ų53.460%0.60133%0.325SS*.  trans-123.616017256.80000108.4
909M75.2Confident77.7Confident13 Ų1355.1 Ų55.16%0.06433%0.331CS..  trans-63.5147.2172.6-67.1-69.6-76.700110.8L811 I846 Y891 E895 I898 F911L811-M909 HydrophobicContact CD2-CE 3.55Å; L811-M909 HydrophobicContact CD2-SD 4.35Å; I846-M909 HydrophobicContact CD1-SD 4.18Å; I846-M909 HydrophobicContact CG1-SD 4.01Å; I846-M909 HydrophobicContact CG2-SD 4.39Å; Y891-M909 HydrophobicContact CD2-CB 4.47Å; Y891-M909 HydrophobicContact CD2-CE 4.31Å; Y891-M909 HydrophobicContact CD2-CG 4.24Å; Y891-M909 HydrophobicContact CE2-CB 3.5Å; Y891-M909 HydrophobicContact CE2-CE 4.36Å; Y891-M909 HydrophobicContact CE2-CG 3.68Å; E895-M909 HydrophobicContact CG-CG 4.43Å; E895-M909 PolarHBondContact OE1-N 3.13Å; I898-M909 HydrophobicContact CD1-CG 4.33Å; I898-M909 HydrophobicContact CD1-SD 4.39Å; M909-F911 HydrophobicContact CE-CE1 3.73Å; M909-F911 HydrophobicContact CE-CZ 3.66Å; M909-F911 PolarHBondContact O-N 2.96Å
910E72.5Confident77.8Confident117 Ų11752.8 Ų52.855%0.54731%0.307SS..SBendtrans-72.1-8.8-176.5-76.2-167.6169.300114.5I846I846-E910 HydrophobicContact CG2-CG 4.34Å
911F79.5Confident77.9Confident6 Ų650.2 Ų50.23%0.02631%0.305CS..SBendtrans-134.8148.9-176.955.1-82.2000110.5V854 F887 Y891 M909 D915 M916V854-F911 HydrophobicContact CG1-CE2 4.43Å; V854-F911 HydrophobicContact CG1-CZ 4.41Å; V854-F911 HydrophobicContact CG2-CD1 4.45Å; V854-F911 HydrophobicContact CG2-CE1 3.86Å; V854-F911 HydrophobicContact CG2-CZ 4.02Å; F887-F911 HydrophobicContact CE1-CE2 4.3Å; Y891-F911 HydrophobicContact CD2-CE2 4.09Å; Y891-F911 HydrophobicContact CD2-CZ 4.48Å; Y891-F911 HydrophobicContact CE2-CD2 4.33Å; Y891-F911 HydrophobicContact CE2-CE2 4.12Å; Y891-F911 WeakPolarHBondContact CE2-O 3.44Å; Y891-F911 PolarHBondContact OH-O 3.11Å; M909-F911 HydrophobicContact CE-CE1 3.73Å; M909-F911 HydrophobicContact CE-CZ 3.66Å; M909-F911 PolarHBondContact O-N 2.96Å; F911-D915 HydrophobicContact CB-CB 4.48Å; F911-M916 HydrophobicContact CD2-CE 3.33Å; F911-M916 HydrophobicContact CD2-CG 3.75Å; F911-M916 HydrophobicContact CD2-SD 4.2Å; F911-M916 HydrophobicContact CE2-CE 3.33Å; F911-M916 HydrophobicContact CE2-CG 3.94Å; F911-M916 HydrophobicContact CE2-SD 3.97Å
912T83Confident78.1Confident70 Ų7052.2 Ų52.243%0.42932%0.32SS..  trans-97.2166.3-177.870.60000112.2Q914 D915 M916T912-Q914 PolarHBondContact O-N 2.99Å; T912-Q914 PolarHBondContact OG1-N 3.17Å; T912-D915 WeakPolarHBondContact CB-OD2 3.26Å; T912-D915 PolarHBondContact N-OD2 3.05Å; T912-D915 PolarHBondContact O-N 3.49Å; T912-D915 VanDerWaalsContact OG1-CG 3.27Å; T912-D915 PolarHBondContact OG1-N 3.47Å; T912-D915 PolarHBondContact OG1-OD2 3.11Å; T912-M916 PolarHBondContact O-N 3.33Å; T912-M916 VanDerWaalsContact O-N 3.15Å
913I82.4Confident78.3Confident59 Ų5952.2 Ų52.230%0.30332%0.32SS..Hα-helixtrans-57.4-36.5173.3-60.7175.4000110.9I888 Y891 K892 M916 L917I888-I913 HydrophobicContact CG2-CG2 4.47Å; Y891-I913 HydrophobicContact CD1-CD1 4.3Å; Y891-I913 HydrophobicContact CD1-CG1 3.78Å; Y891-I913 HydrophobicContact CE1-CD1 4.22Å; Y891-I913 HydrophobicContact CE1-CG1 3.6Å; K892-I913 HydrophobicContact CG-CD1 4.27Å; I913-M916 WeakPolarHBondContact O-CB 3.36Å; I913-M916 PolarHBondContact O-N 2.89Å; I913-L917 HydrophobicContact CG2-CD1 4.49Å; I913-L917 WeakPolarHBondContact O-CG 3.36Å; I913-L917 PolarHBondContact O-N 3.09Å
914Q81.2Confident78.6Confident117 Ų11751 Ų5155%0.54732%0.315SS..Hα-helixtrans-65-41.9178.8-170.96326.800111.6T912 M916 L917 E918T912-Q914 PolarHBondContact O-N 2.99Å; T912-Q914 PolarHBondContact OG1-N 3.17Å; Q914-M916 VanDerWaalsContact C-N 3.29Å; Q914-M916 PolarHBondContact O-N 3.22Å; Q914-L917 PolarHBondContact O-N 3.35Å; Q914-E918 PolarHBondContact O-N 3.13Å
915D82.4Confident79.2Confident52 Ų5254.7 Ų54.728%0.27831%0.309SS..Hα-helixtrans-62-37.8175.4-57.2-54000111.3F911 T912 E918 Y919F911-D915 HydrophobicContact CB-CB 4.48Å; T912-D915 WeakPolarHBondContact CB-OD2 3.26Å; T912-D915 PolarHBondContact N-OD2 3.05Å; T912-D915 PolarHBondContact O-N 3.49Å; T912-D915 VanDerWaalsContact OG1-CG 3.27Å; T912-D915 PolarHBondContact OG1-N 3.47Å; T912-D915 PolarHBondContact OG1-OD2 3.11Å; D915-E918 PolarHBondContact O-N 3.46Å; D915-Y919 HydrophobicContact CB-CE1 4.41Å; D915-Y919 HydrophobicContact CB-CE2 4.33Å; D915-Y919 WeakPolarHBondContact O-CD1 3.49Å; D915-Y919 WeakPolarHBondContact O-CD2 3.49Å; D915-Y919 WeakPolarHBondContact O-CE1 3.43Å; D915-Y919 PolarHBondContact O-N 3.16Å
916M82Confident79.6Confident0 Ų057.5 Ų57.50%033%0.328CS..Hα-helixtrans-65.6-44.4175.5-64.7173.5-136.400112.3F887 Y891 F911 T912 I913 Q914 E918 Y919 F920F887-M916 HydrophobicContact CD1-CG 4.37Å; F887-M916 HydrophobicContact CD1-SD 3.7Å; F887-M916 HydrophobicContact CE1-CG 3.96Å; F887-M916 HydrophobicContact CE1-SD 3.55Å; F887-M916 VanDerWaalsContact CE1-SD 3.55Å; Y891-M916 HydrophobicContact CD1-CE 3.62Å; Y891-M916 HydrophobicContact CD2-CE 3.05Å; Y891-M916 HydrophobicContact CD2-SD 4.25Å; Y891-M916 HydrophobicContact CE1-CE 3.76Å; Y891-M916 HydrophobicContact CE2-CE 3.14Å; Y891-M916 HydrophobicContact CG-CE 3.24Å; Y891-M916 HydrophobicContact CG-SD 4.11Å; Y891-M916 VanDerWaalsContact CZ-CE 3.5Å; F911-M916 HydrophobicContact CD2-CE 3.33Å; F911-M916 HydrophobicContact CD2-CG 3.75Å; F911-M916 HydrophobicContact CD2-SD 4.2Å; F911-M916 HydrophobicContact CE2-CE 3.33Å; F911-M916 HydrophobicContact CE2-CG 3.94Å; F911-M916 HydrophobicContact CE2-SD 3.97Å; T912-M916 PolarHBondContact O-N 3.33Å; T912-M916 VanDerWaalsContact O-N 3.15Å; I913-M916 WeakPolarHBondContact O-CB 3.36Å; I913-M916 PolarHBondContact O-N 2.89Å; Q914-M916 VanDerWaalsContact C-N 3.29Å; Q914-M916 PolarHBondContact O-N 3.22Å; M916-E918 PolarHBondContact O-N 3.33Å; M916-Y919 WeakPolarHBondContact O-CB 3.45Å; M916-Y919 PolarHBondContact O-N 3.39Å; M916-F920 WeakPolarHBondContact O-CD2 3.43Å; M916-F920 PolarHBondContact O-N 3.25Å
917L84Confident79.3Confident51 Ų5160 Ų6027%0.26732%0.322SS..Hα-helixtrans-58.6-40.4176.4-66.6176.2000110.9Q884 I888 I913 Q914 S921Q884-L917 HydrophobicContact CG-CD2 4.46Å; I888-L917 HydrophobicContact CD1-CD2 3.79Å; I913-L917 HydrophobicContact CG2-CD1 4.49Å; I913-L917 WeakPolarHBondContact O-CG 3.36Å; I913-L917 PolarHBondContact O-N 3.09Å; Q914-L917 PolarHBondContact O-N 3.35Å; L917-S921 VanDerWaalsContact O-CB 3.26Å; L917-S921 WeakPolarHBondContact O-CB 3.33Å; L917-S921 PolarHBondContact O-N 2.88Å; L917-S921 PolarHBondContact O-OG 3.29Å
918E84.6Confident79.7Confident111 Ų11162.4 Ų62.452%0.51933%0.334SS..Hα-helixtrans-65.7-38.5173.2-73.8-176-171.800112.6Q914 D915 M916 S922Q914-E918 PolarHBondContact O-N 3.13Å; D915-E918 PolarHBondContact O-N 3.46Å; M916-E918 PolarHBondContact O-N 3.33Å; E918-S922 WeakPolarHBondContact O-CB 3.27Å; E918-S922 PolarHBondContact O-N 3.39Å
919Y85Confident80Confident42 Ų4260.5 Ų60.517%0.16532%0.32CS..Hα-helixtrans-63.8-50.2176.1-60.1-16.2000111.7K855 D915 M916 S921 S922 I923K855-Y919 HydrophobicContact CB-CD1 4.42Å; K855-Y919 HydrophobicContact CB-CD2 4.34Å; K855-Y919 HydrophobicContact CB-CG 4.22Å; K855-Y919 HydrophobicContact CD-CD1 3.97Å; K855-Y919 HydrophobicContact CD-CE1 4.47Å; K855-Y919 HydrophobicContact CD-CG 4.42Å; K855-Y919 HydrophobicContact CG-CD1 4.36Å; K855-Y919 HydrophobicContact CG-CG 4.31Å; D915-Y919 HydrophobicContact CB-CE1 4.41Å; D915-Y919 HydrophobicContact CB-CE2 4.33Å; D915-Y919 WeakPolarHBondContact O-CD1 3.49Å; D915-Y919 WeakPolarHBondContact O-CD2 3.49Å; D915-Y919 WeakPolarHBondContact O-CE1 3.43Å; D915-Y919 PolarHBondContact O-N 3.16Å; M916-Y919 WeakPolarHBondContact O-CB 3.45Å; M916-Y919 PolarHBondContact O-N 3.39Å; Y919-S921 VanDerWaalsContact C-N 3.35Å; Y919-S921 PolarHBondContact O-N 2.84Å; Y919-S922 PolarHBondContact O-N 3.37Å; Y919-I923 WeakPolarHBondContact O-CB 3.47Å; Y919-I923 WeakPolarHBondContact O-CD1 3.48Å; Y919-I923 WeakPolarHBondContact O-CG1 3.35Å; Y919-I923 PolarHBondContact O-N 3.47Å
920F84.9Confident80.3Confident3 Ų363.2 Ų63.21%0.01334%0.335CS..Hα-helixtrans-62-40.9178.2-86.5-92.4000112.1L858 W880 M883 Q884 F887 M916 A924L858-F920 HydrophobicContact CD1-CD2 4.03Å; L858-F920 HydrophobicContact CD1-CE2 3.64Å; L858-F920 HydrophobicContact CD1-CZ 4.17Å; L858-F920 HydrophobicContact CD2-CE1 4.29Å; L858-F920 HydrophobicContact CD2-CE2 3.88Å; L858-F920 HydrophobicContact CD2-CZ 3.55Å; L858-F920 HydrophobicContact CG-CE2 4.42Å; L858-F920 HydrophobicContact CG-CZ 4.49Å; W880-F920 AromaticContact CD2-CD1 4Å; W880-F920 HydrophobicContact CD2-CD1 4Å; W880-F920 HydrophobicContact CD2-CE1 4.18Å; W880-F920 AromaticContact CE2-CD1 3.35Å; W880-F920 AromaticContact CE2-CE1 3.86Å; W880-F920 HydrophobicContact CE3-CE1 4.29Å; W880-F920 AromaticContact CH2-CD1 4Å; W880-F920 HydrophobicContact CH2-CD1 4Å; W880-F920 AromaticContact CH2-CE1 3.81Å; W880-F920 HydrophobicContact CH2-CE1 3.81Å; W880-F920 AromaticContact CZ2-CD1 3.36Å; W880-F920 HydrophobicContact CZ2-CD1 3.36Å; W880-F920 AromaticContact CZ2-CE1 3.69Å; W880-F920 HydrophobicContact CZ2-CE1 3.69Å; W880-F920 HydrophobicContact CZ2-CG 4.18Å; W880-F920 HydrophobicContact CZ3-CE1 4.12Å; W880-F920 AromaticContact NE1-CD1 3.6Å; W880-F920 PolarHBondContact NE1-O 3.48Å; M883-F920 HydrophobicContact CB-CE1 4.36Å; Q884-F920 HydrophobicContact CB-CD1 3.66Å; Q884-F920 HydrophobicContact CB-CD2 4.45Å; Q884-F920 HydrophobicContact CB-CE1 3.83Å; Q884-F920 HydrophobicContact CB-CG 4.01Å; Q884-F920 HydrophobicContact CB-CZ 4.29Å; Q884-F920 HydrophobicContact CG-CB 4.28Å; Q884-F920 HydrophobicContact CG-CD1 4.14Å; Q884-F920 HydrophobicContact CG-CD2 4.22Å; Q884-F920 HydrophobicContact CG-CG 3.96Å; F887-F920 HydrophobicContact CB-CE2 4.14Å; F887-F920 HydrophobicContact CB-CZ 3.97Å; F887-F920 AromaticContact CD1-CE2 3.94Å; F887-F920 HydrophobicContact CD1-CE2 3.94Å; F887-F920 HydrophobicContact CG-CE2 4.08Å; F887-F920 HydrophobicContact CG-CZ 4.19Å; M916-F920 WeakPolarHBondContact O-CD2 3.43Å; M916-F920 PolarHBondContact O-N 3.25Å; F920-A924 WeakPolarHBondContact O-CB 3.24Å; F920-A924 PolarHBondContact O-N 3.44Å
921S83.6Confident80.8Confident56 Ų5660 Ų6039%0.39232%0.322SS..Hα-helixtrans-69-43.3177.5-56.50000112.1L917 Y919 I923 A924 Q925L917-S921 VanDerWaalsContact O-CB 3.26Å; L917-S921 WeakPolarHBondContact O-CB 3.33Å; L917-S921 PolarHBondContact O-N 2.88Å; L917-S921 PolarHBondContact O-OG 3.29Å; Y919-S921 VanDerWaalsContact C-N 3.35Å; Y919-S921 PolarHBondContact O-N 2.84Å; S921-I923 VanDerWaalsContact C-N 3.32Å; S921-I923 PolarHBondContact O-N 2.97Å; S921-A924 PolarHBondContact O-N 3.1Å; S921-Q925 WeakPolarHBondContact O-CB 3.4Å; S921-Q925 VanDerWaalsContact O-CG 3.3Å; S921-Q925 WeakPolarHBondContact O-CG 3.39Å; S921-Q925 PolarHBondContact O-N 3.02Å
922S84.6Confident80.8Confident43 Ų4363.4 Ų63.430%0.30134%0.341SS..Hα-helixtrans-63.7-37.2177.3170.70000112.1K855 E918 Y919 S926K855-S922 PolarHBondContact NZ-OG 2.89Å; E918-S922 WeakPolarHBondContact O-CB 3.27Å; E918-S922 PolarHBondContact O-N 3.39Å; Y919-S922 PolarHBondContact O-N 3.37Å; S922-S926 VanDerWaalsContact O-CB 3.3Å; S922-S926 WeakPolarHBondContact O-CB 3.32Å; S922-S926 PolarHBondContact O-N 3.41Å; S922-S926 PolarHBondContact O-OG 3.46Å
923I83.4Confident80.7Confident3 Ų362.9 Ų62.92%0.01534%0.335CS..Hα-helixtrans-69.9-47.2177.6-68.5163.1000109.7K855 L858 D859 Y862 W880 Y919 S921 Q925 S926 H927K855-I923 HydrophobicContact CG-CD1 4.46Å; L858-I923 HydrophobicContact CB-CD1 3.49Å; L858-I923 VanDerWaalsContact CB-CD1 3.49Å; D859-I923 HydrophobicContact CB-CD1 4.38Å; D859-I923 HydrophobicContact CB-CG1 4.42Å; Y862-I923 HydrophobicContact CD1-CG2 4.28Å; Y862-I923 HydrophobicContact CD2-CG2 3.95Å; Y862-I923 HydrophobicContact CG-CG2 3.72Å; W880-I923 HydrophobicContact CH2-CG2 4.35Å; W880-I923 HydrophobicContact CZ2-CB 4.14Å; W880-I923 HydrophobicContact CZ2-CD1 4.32Å; W880-I923 HydrophobicContact CZ2-CG2 3.83Å; Y919-I923 WeakPolarHBondContact O-CB 3.47Å; Y919-I923 WeakPolarHBondContact O-CD1 3.48Å; Y919-I923 WeakPolarHBondContact O-CG1 3.35Å; Y919-I923 PolarHBondContact O-N 3.47Å; S921-I923 VanDerWaalsContact C-N 3.32Å; S921-I923 PolarHBondContact O-N 2.97Å; I923-Q925 VanDerWaalsContact C-N 3.27Å; I923-Q925 PolarHBondContact O-N 3.16Å; I923-S926 WeakPolarHBondContact CA-OG 3.36Å; I923-S926 PolarHBondContact O-N 3.47Å; I923-S926 VanDerWaalsContact O-N 3.09Å; I923-S926 PolarHBondContact O-OG 3.17Å; I923-H927 PolarHBondContact O-CD2 2.91Å; I923-H927 PolarHBondContact O-N 3.28Å
924A79.7Confident80.6Confident41 Ų4163.2 Ų63.234%0.33934%0.337SS..Hα-helixtrans-65.2-24.8178.200000114.2F920 S921 H927F920-A924 WeakPolarHBondContact O-CB 3.24Å; F920-A924 PolarHBondContact O-N 3.44Å; S921-A924 PolarHBondContact O-N 3.1Å; A924-H927 VanDerWaalsContact O-OXT 3.07Å
925Q77.7Confident80.5Confident167 Ų16759.1 Ų59.178%0.7832%0.321SS*.Hα-helixtrans-84.7-18.7173.5-73.8175.40.300113.4S921 I923S921-Q925 WeakPolarHBondContact O-CB 3.4Å; S921-Q925 VanDerWaalsContact O-CG 3.3Å; S921-Q925 WeakPolarHBondContact O-CG 3.39Å; S921-Q925 PolarHBondContact O-N 3.02Å; I923-Q925 VanDerWaalsContact C-N 3.27Å; I923-Q925 PolarHBondContact O-N 3.16Å
926S72.9Confident80.4Confident77 Ų7759.7 Ų59.754%0.53832%0.324SS..Hα-helixtrans-88.7-14.9-176.166.90000114.4S922 I923S922-S926 VanDerWaalsContact O-CB 3.3Å; S922-S926 WeakPolarHBondContact O-CB 3.32Å; S922-S926 PolarHBondContact O-N 3.41Å; S922-S926 PolarHBondContact O-OG 3.46Å; I923-S926 WeakPolarHBondContact CA-OG 3.36Å; I923-S926 PolarHBondContact O-N 3.47Å; I923-S926 VanDerWaalsContact O-N 3.09Å; I923-S926 PolarHBondContact O-OG 3.17Å
927H62Low80.2Confident122 Ų12265.1 Ų65.157%0.56535%0.354SS*.  trans-119.40173.9-65.3-83.1000108.3D859 Y862 K863 I923 A924D859-H927 IonicContact OD1-CD2 3.74Å; D859-H927 IonicContact OD1-CE1 2.78Å; D859-H927 IonicContact OD1-NE2 3.58Å; D859-H927 PolarHBondContact OD1-NE2 3.44Å; Y862-H927 HydrophobicContact CD1-CB 4.26Å; Y862-H927 AromaticContact CD1-CD2 3.63Å; Y862-H927 AromaticContact CD1-CG 3.93Å; Y862-H927 HydrophobicContact CE1-CB 3.5Å; Y862-H927 VanDerWaalsContact CE1-CB 3.5Å; Y862-H927 AromaticContact CE1-CD2 3.76Å; Y862-H927 AromaticContact CE1-CG 3.67Å; K863-H927 VanDerWaalsContact CE-CE1 3.41Å; K863-H927 WeakPolarHBondContact CE-CE1 3.34Å; I923-H927 PolarHBondContact O-CD2 2.91Å; I923-H927 PolarHBondContact O-N 3.28Å; A924-H927 VanDerWaalsContact O-OXT 3.07Å

Retrieved 927 of 927 residues in 407.2 ms (Link to these results)

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