A0A087XBR1_POEFO Loading...

Centriolar coiled-coil protein 110

AlphaFold DB , UniProt , Accession A0A087XBR1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 820 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
1M32.8Very low58.2Low243 Ų243109.8 Ų109.8100%1.19762%0.621SS**  01160-61.9173.483.400108.7G3M1-G3 PolarHBondContact O-N 2.67Å
2C31.3Very low60.6Low135 Ų135108.9 Ų108.991%0.91261%0.608SS**  trans-78.3105.8176.3-63.30000109.7R4C2-R4 PolarHBondContact O-N 2.95Å
3G29.9Very low62.8Low70 Ų70101 Ų10172%0.72256%0.563SS**PPolyproline II helixtrans-60.4123.9172.400000109.8M1 P5M1-G3 PolarHBondContact O-N 2.67Å; G3-P5 WeakPolarHBondContact O-CD 3.33Å
4R38.3Very low64.4Low244 Ų24496.5 Ų96.592%0.92154%0.542SS*.PPolyproline II helixtrans-53124.3175.7-73.5-174.4176.1-166.7-0.5108.6C2 G6C2-R4 PolarHBondContact O-N 2.95Å; R4-G6 PolarHBondContact O-N 3.44Å
5P51Low65.8Low121 Ų12198.9 Ų98.979%0.78655%0.549SS*.PPolyproline II helixtrans-51.2134179.8-30.336000111.7G3 M7G3-P5 WeakPolarHBondContact O-CD 3.33Å; P5-M7 PolarHBondContact O-N 3.36Å
6G61.8Low67.2Low73 Ų73100.1 Ų100.175%0.75354%0.543SS*.PPolyproline II helixtrans-52.6141.6168.300000109R4 E8R4-G6 PolarHBondContact O-N 3.44Å; G6-E8 PolarHBondContact O-N 3.39Å
7M67.5Low68.3Low35 Ų3594.8 Ų94.817%0.17251%0.514CS..PPolyproline II helixtrans-65.1125.9176.2-176.9168.2167.200109.1P5 F637 R640 R641 K644P5-M7 PolarHBondContact O-N 3.36Å; M7-F637 HydrophobicContact CE-CD2 3.6Å; M7-F637 HydrophobicContact CE-CE2 3.6Å; M7-F637 HydrophobicContact CE-CG 4.22Å; M7-F637 HydrophobicContact CE-CZ 4.19Å; M7-R640 HydrophobicContact CE-CB 3.95Å; M7-R640 HydrophobicContact SD-CB 4.48Å; M7-R641 HydrophobicContact CE-CB 4.06Å; M7-R641 PolarHBondContact O-NH1 2.96Å; M7-R641 HydrophobicContact SD-CB 4.36Å; M7-R641 VanDerWaalsContact SD-CD 3.5Å; M7-K644 HydrophobicContact CB-CD 3.9Å; M7-K644 HydrophobicContact CG-CD 4.34Å; M7-K644 HydrophobicContact SD-CD 3.73Å
8E78.9Confident69.2Low33 Ų3395.1 Ų95.115%0.15452%0.515CS..  trans-30.3136.7174.855.1-177.5167.800112.4G6 E12 F13 R16 F637 R641G6-E8 PolarHBondContact O-N 3.39Å; E8-E12 WeakPolarHBondContact CA-OE2 3.45Å; E8-E12 HydrophobicContact CB-CG 4.39Å; E8-F13 HydrophobicContact CG-CB 4.15Å; E8-F13 WeakPolarHBondContact OE1-CD2 3.37Å; E8-R16 IonicContact OE1-NH2 3.77Å; E8-R16 PolarHBondContact OE1-NH2 3.3Å; E8-R16 IonicContact OE2-CZ 3.64Å; E8-R16 VanDerWaalsContact OE2-CZ 3.26Å; E8-R16 IonicContact OE2-NE 3.12Å; E8-R16 PolarHBondContact OE2-NE 3.31Å; E8-R16 IonicContact OE2-NH2 2.68Å; E8-R16 PolarHBondContact OE2-NH2 2.96Å; E8-F637 HydrophobicContact CG-CD2 4.44Å; E8-F637 HydrophobicContact CG-CE2 4.09Å; E8-R641 PolarHBondContact O-NH1 3.19Å
9S81.8Confident70.1Confident45 Ų4592 Ų9232%0.31550%0.504SS..  trans-59.9160174.2115.60000109.5E11 E12 F13S9-E11 VanDerWaalsContact CB-OE2 3.31Å; S9-E11 WeakPolarHBondContact CB-OE2 3.46Å; S9-E11 WeakPolarHBondContact OG-CB 3.46Å; S9-E11 PolarHBondContact OG-N 3.14Å; S9-E11 PolarHBondContact OG-OE2 2.94Å; S9-E12 PolarHBondContact N-OE2 3.18Å; S9-E12 WeakPolarHBondContact OG-CB 3.31Å; S9-E12 PolarHBondContact OG-N 2.88Å; S9-F13 WeakPolarHBondContact O-CB 3.27Å; S9-F13 PolarHBondContact O-N 3.27Å
10Y82.4Confident70.7Confident95 Ų9592.8 Ų92.837%0.37351%0.505SS..Hα-helixtrans-68.9-35.4178.1174.1-108000110.4C14 F637Y10-C14 WeakPolarHBondContact O-CB 3.42Å; Y10-C14 PolarHBondContact O-N 3.4Å; Y10-C14 PolarHBondContact O-SG 3.44Å; Y10-F637 HydrophobicContact CD2-CD1 4.33Å; Y10-F637 AromaticContact CD2-CE1 3.71Å; Y10-F637 HydrophobicContact CD2-CE1 3.71Å; Y10-F637 HydrophobicContact CD2-CZ 4.04Å
11E85Confident71.2Confident114 Ų11490 Ų9053%0.53349%0.49SS..Hα-helixtrans-68.2-49179-51.266-14400110.1S9 C14 M15S9-E11 VanDerWaalsContact CB-OE2 3.31Å; S9-E11 WeakPolarHBondContact CB-OE2 3.46Å; S9-E11 WeakPolarHBondContact OG-CB 3.46Å; S9-E11 PolarHBondContact OG-N 3.14Å; S9-E11 PolarHBondContact OG-OE2 2.94Å; E11-C14 WeakPolarHBondContact O-CB 3.32Å; E11-C14 PolarHBondContact O-N 3.21Å; E11-M15 WeakPolarHBondContact O-CG 3.43Å; E11-M15 PolarHBondContact O-N 3.01Å
12E86.9Confident73.2Confident99 Ų9984.5 Ų84.546%0.46346%0.461SS..Hα-helixtrans-58.5-47.8171.2-179.2-173.5-168.900112.1E8 S9 C14 M15 R16E8-E12 WeakPolarHBondContact CA-OE2 3.45Å; E8-E12 HydrophobicContact CB-CG 4.39Å; S9-E12 PolarHBondContact N-OE2 3.18Å; S9-E12 WeakPolarHBondContact OG-CB 3.31Å; S9-E12 PolarHBondContact OG-N 2.88Å; E12-C14 VanDerWaalsContact C-N 3.32Å; E12-C14 PolarHBondContact O-N 3.41Å; E12-M15 PolarHBondContact O-N 3.11Å; E12-R16 VanDerWaalsContact O-CB 3.22Å; E12-R16 WeakPolarHBondContact O-CB 3.32Å; E12-R16 PolarHBondContact O-N 2.6Å
13F88.3Confident75Confident6 Ų681.7 Ų81.73%0.02644%0.435CS..Hα-helixtrans-59-42.4174.2167.4-103.5000111.9E8 S9 S17 M633 F637E8-F13 HydrophobicContact CG-CB 4.15Å; E8-F13 WeakPolarHBondContact OE1-CD2 3.37Å; S9-F13 WeakPolarHBondContact O-CB 3.27Å; S9-F13 PolarHBondContact O-N 3.27Å; F13-S17 WeakPolarHBondContact CE2-OG 3.47Å; F13-S17 WeakPolarHBondContact CZ-OG 3.36Å; F13-S17 WeakPolarHBondContact O-CB 3.5Å; F13-S17 PolarHBondContact O-N 2.92Å; F13-S17 PolarHBondContact O-OG 2.84Å; F13-M633 HydrophobicContact CZ-CB 4.3Å; F13-M633 WeakPolarHBondContact CZ-O 3.3Å; F13-F637 HydrophobicContact CB-CD2 3.75Å; F13-F637 HydrophobicContact CB-CE2 3.6Å; F13-F637 HydrophobicContact CB-CZ 4.45Å; F13-F637 HydrophobicContact CD1-CB 4.03Å; F13-F637 HydrophobicContact CD1-CD1 4.25Å; F13-F637 AromaticContact CD1-CD2 3.57Å; F13-F637 HydrophobicContact CD1-CD2 3.57Å; F13-F637 HydrophobicContact CD1-CE2 4.03Å; F13-F637 AromaticContact CD1-CG 3.69Å; F13-F637 HydrophobicContact CD1-CG 3.69Å; F13-F637 HydrophobicContact CD2-CB 4.21Å; F13-F637 AromaticContact CD2-CD2 3.58Å; F13-F637 HydrophobicContact CD2-CD2 3.58Å; F13-F637 HydrophobicContact CD2-CE2 4.32Å; F13-F637 HydrophobicContact CD2-CG 4.19Å; F13-F637 HydrophobicContact CE1-CB 3.61Å; F13-F637 HydrophobicContact CE1-CD1 4.42Å; F13-F637 HydrophobicContact CE1-CD2 4.08Å; F13-F637 AromaticContact CE1-CG 3.8Å; F13-F637 HydrophobicContact CE1-CG 3.8Å; F13-F637 HydrophobicContact CE2-CB 3.83Å; F13-F637 HydrophobicContact CE2-CD2 4.09Å; F13-F637 HydrophobicContact CE2-CG 4.3Å; F13-F637 HydrophobicContact CG-CB 4.31Å; F13-F637 AromaticContact CG-CD2 3.29Å; F13-F637 HydrophobicContact CG-CD2 3.29Å; F13-F637 AromaticContact CG-CE2 3.7Å; F13-F637 HydrophobicContact CG-CE2 3.7Å; F13-F637 AromaticContact CG-CG 3.9Å; F13-F637 HydrophobicContact CG-CG 3.9Å; F13-F637 HydrophobicContact CZ-CB 3.51Å; F13-F637 HydrophobicContact CZ-CD2 4.33Å; F13-F637 HydrophobicContact CZ-CG 4.12Å
14C85.2Confident76.4Confident38 Ų3880.2 Ų80.226%0.25742%0.42SS..Hα-helixtrans-64.2-50.1176.7-80.30000111.7Y10 E11 E12 R16 S17 L18Y10-C14 WeakPolarHBondContact O-CB 3.42Å; Y10-C14 PolarHBondContact O-N 3.4Å; Y10-C14 PolarHBondContact O-SG 3.44Å; E11-C14 WeakPolarHBondContact O-CB 3.32Å; E11-C14 PolarHBondContact O-N 3.21Å; E12-C14 VanDerWaalsContact C-N 3.32Å; E12-C14 PolarHBondContact O-N 3.41Å; C14-R16 PolarHBondContact O-N 3.07Å; C14-S17 PolarHBondContact O-N 3.18Å; C14-L18 WeakPolarHBondContact O-CB 3.48Å; C14-L18 VanDerWaalsContact O-CG 3.28Å; C14-L18 WeakPolarHBondContact O-CG 3.26Å; C14-L18 PolarHBondContact O-N 2.94Å
15M86.2Confident77.2Confident133 Ų13376.2 Ų76.266%0.65541%0.409SS*.Hα-helixtrans-59-49.6177.7-69.8-175.4-65.400111.5E11 E12 S17 L18 A19E11-M15 WeakPolarHBondContact O-CG 3.43Å; E11-M15 PolarHBondContact O-N 3.01Å; E12-M15 PolarHBondContact O-N 3.11Å; M15-S17 VanDerWaalsContact C-N 3.3Å; M15-S17 PolarHBondContact O-N 3.36Å; M15-L18 PolarHBondContact O-N 3.18Å; M15-A19 PolarHBondContact O-N 3.33Å
16R88.7Confident77Confident118 Ų11876.1 Ų76.145%0.44540%0.401SS..Hα-helixtrans-61.8-36.6177.5-168.518066.472.4-2.8112.4E8 E12 C14 M20E8-R16 IonicContact OE1-NH2 3.77Å; E8-R16 PolarHBondContact OE1-NH2 3.3Å; E8-R16 IonicContact OE2-CZ 3.64Å; E8-R16 VanDerWaalsContact OE2-CZ 3.26Å; E8-R16 IonicContact OE2-NE 3.12Å; E8-R16 PolarHBondContact OE2-NE 3.31Å; E8-R16 IonicContact OE2-NH2 2.68Å; E8-R16 PolarHBondContact OE2-NH2 2.96Å; E12-R16 VanDerWaalsContact O-CB 3.22Å; E12-R16 WeakPolarHBondContact O-CB 3.32Å; E12-R16 PolarHBondContact O-N 2.6Å; C14-R16 PolarHBondContact O-N 3.07Å; R16-M20 WeakPolarHBondContact O-CB 3.29Å; R16-M20 WeakPolarHBondContact O-CG 3.24Å; R16-M20 PolarHBondContact O-N 3.2Å; R16-M20 VanDerWaalsContact O-N 3.13Å
17S85.9Confident76.3Confident9 Ų978.1 Ų78.16%0.06339%0.389CS..Hα-helixtrans-70.5-39.4176.2-65.90000112.5F13 C14 M15 L21 M633F13-S17 WeakPolarHBondContact CE2-OG 3.47Å; F13-S17 WeakPolarHBondContact CZ-OG 3.36Å; F13-S17 WeakPolarHBondContact O-CB 3.5Å; F13-S17 PolarHBondContact O-N 2.92Å; F13-S17 PolarHBondContact O-OG 2.84Å; C14-S17 PolarHBondContact O-N 3.18Å; M15-S17 VanDerWaalsContact C-N 3.3Å; M15-S17 PolarHBondContact O-N 3.36Å; S17-L21 WeakPolarHBondContact O-CB 3.48Å; S17-L21 WeakPolarHBondContact O-CD1 3.3Å; S17-L21 WeakPolarHBondContact O-CG 3.26Å; S17-L21 PolarHBondContact O-N 3.42Å; S17-L21 VanDerWaalsContact O-N 3.08Å; S17-M633 VanDerWaalsContact CB-CE 3.48Å; S17-M633 WeakPolarHBondContact OG-CE 3.48Å
18L84.2Confident75.3Confident100 Ų10083.4 Ų83.452%0.52441%0.411SS..Hα-helixtrans-67.6-44176.8-71.8168.3000111.3C14 M15 M20 L21 Q22C14-L18 WeakPolarHBondContact O-CB 3.48Å; C14-L18 VanDerWaalsContact O-CG 3.28Å; C14-L18 WeakPolarHBondContact O-CG 3.26Å; C14-L18 PolarHBondContact O-N 2.94Å; M15-L18 PolarHBondContact O-N 3.18Å; L18-M20 PolarHBondContact O-N 2.83Å; L18-L21 CarbonylContact O-C 3.6Å; L18-L21 PolarHBondContact O-N 2.59Å; L18-L21 VanDerWaalsContact O-N 3.11Å; L18-Q22 WeakPolarHBondContact O-CG 3.1Å; L18-Q22 PolarHBondContact O-N 3.01Å
19A85.3Confident73.9Confident37 Ų3790.6 Ų90.631%0.30644%0.442SS..Hα-helixtrans-56.7-50.5173.600000111.6M15 L21 Q22 E23M15-A19 PolarHBondContact O-N 3.33Å; A19-L21 VanDerWaalsContact C-N 3.25Å; A19-L21 PolarHBondContact O-N 3.46Å; A19-Q22 PolarHBondContact O-N 2.99Å; A19-E23 WeakPolarHBondContact O-CB 3.45Å; A19-E23 PolarHBondContact O-N 2.91Å
20M82.1Confident71.6Confident107 Ų10794.3 Ų94.353%0.52746%0.463SS..Hα-helixtrans-56.2-36.3174.6-74.5-75-61.700113.3R16 L18 G24R16-M20 WeakPolarHBondContact O-CB 3.29Å; R16-M20 WeakPolarHBondContact O-CG 3.24Å; R16-M20 PolarHBondContact O-N 3.2Å; R16-M20 VanDerWaalsContact O-N 3.13Å; L18-M20 PolarHBondContact O-N 2.83Å; M20-G24 PolarHBondContact O-N 2.95Å
21L81Confident69.3Low36 Ų3693.4 Ų93.419%0.18847%0.469CS..Hα-helixtrans-76.9-26.7177.8-72.4166.4000113.1S17 L18 A19 Q629 I630 M633S17-L21 WeakPolarHBondContact O-CB 3.48Å; S17-L21 WeakPolarHBondContact O-CD1 3.3Å; S17-L21 WeakPolarHBondContact O-CG 3.26Å; S17-L21 PolarHBondContact O-N 3.42Å; S17-L21 VanDerWaalsContact O-N 3.08Å; L18-L21 CarbonylContact O-C 3.6Å; L18-L21 PolarHBondContact O-N 2.59Å; L18-L21 VanDerWaalsContact O-N 3.11Å; A19-L21 VanDerWaalsContact C-N 3.25Å; A19-L21 PolarHBondContact O-N 3.46Å; L21-Q629 HydrophobicContact CD2-CG 4.01Å; L21-I630 HydrophobicContact CD1-CD1 4.43Å; L21-I630 HydrophobicContact CD1-CG1 3.78Å; L21-M633 HydrophobicContact CD1-SD 4.2Å; L21-M633 HydrophobicContact CD2-SD 4.22Å; L21-M633 HydrophobicContact CG-SD 4.27Å
22Q76.4Confident66.7Low126 Ų12696 Ų9659%0.58948%0.482SS*.Hα-helixtrans-78.4-47.8173.6-71.6164.8-26.500110.9L18 A19 G24 K25 L26L18-Q22 WeakPolarHBondContact O-CG 3.1Å; L18-Q22 PolarHBondContact O-N 3.01Å; A19-Q22 PolarHBondContact O-N 2.99Å; Q22-G24 PolarHBondContact O-N 2.9Å; Q22-K25 WeakPolarHBondContact O-CB 3.39Å; Q22-K25 PolarHBondContact O-N 3.33Å; Q22-L26 PolarHBondContact O-N 3.44Å
23E68.8Low64.4Low77 Ų7797.1 Ų97.136%0.3650%0.497SS..Hα-helixtrans-55.4-40.1170.8-75.3-177.7-126.400112.1A19 K25 L26 K27A19-E23 WeakPolarHBondContact O-CB 3.45Å; A19-E23 PolarHBondContact O-N 2.91Å; E23-K25 PolarHBondContact O-N 3.01Å; E23-K25 VanDerWaalsContact O-N 3.13Å; E23-L26 PolarHBondContact O-N 3.3Å; E23-K27 PolarHBondContact O-N 2.81Å; E23-K27 IonicContact OE2-NZ 3.15Å; E23-K27 PolarHBondContact OE2-NZ 3.37Å
24G58.1Low62.1Low39 Ų39103.8 Ų103.840%0.40253%0.532SS..Hα-helixtrans-64.4-9.9175.200000115M20 Q22 K28M20-G24 PolarHBondContact O-N 2.95Å; Q22-G24 PolarHBondContact O-N 2.9Å; G24-K28 WeakPolarHBondContact O-CG 3.47Å
25K55.3Low59.7Low159 Ų159107.4 Ų107.469%0.69156%0.557SS**Hα-helixtrans-95.2-32.5167.6-64.8-179.3179.8-174.10112.4Q22 E23Q22-K25 WeakPolarHBondContact O-CB 3.39Å; Q22-K25 PolarHBondContact O-N 3.33Å; E23-K25 PolarHBondContact O-N 3.01Å; E23-K25 VanDerWaalsContact O-N 3.13Å
26L46.3Very low57.5Low120 Ų120105.5 Ų105.563%0.62856%0.556SS**Hα-helixtrans-73.6-48.1177.7-70.9166.3000111.9Q22 E23 K28 K29Q22-L26 PolarHBondContact O-N 3.44Å; E23-L26 PolarHBondContact O-N 3.3Å; L26-K28 PolarHBondContact O-N 2.88Å; L26-K28 VanDerWaalsContact O-N 3.1Å; L26-K29 WeakPolarHBondContact O-CB 3.41Å; L26-K29 PolarHBondContact O-N 2.9Å
27K47.2Very low55.5Low115 Ų115105.6 Ų105.650%0.557%0.565SS.*Hα-helixtrans-60.4-23.3-180-73.6167.1174.6165.30113E23 K29 T30 C31E23-K27 PolarHBondContact O-N 2.81Å; E23-K27 IonicContact OE2-NZ 3.15Å; E23-K27 PolarHBondContact OE2-NZ 3.37Å; K27-K29 PolarHBondContact O-N 3.26Å; K27-T30 PolarHBondContact O-N 2.92Å; K27-C31 VanDerWaalsContact O-CB 3.24Å; K27-C31 WeakPolarHBondContact O-CB 3.23Å; K27-C31 PolarHBondContact O-N 3.04Å; K27-C31 PolarHBondContact O-SG 2.7Å
28K48.2Very low53.6Low146 Ų146114.3 Ų114.364%0.63560%0.602SS**Hα-helixtrans-66.1-13.4170.2-73.6-177.8180-175.80115G24 L26G24-K28 WeakPolarHBondContact O-CG 3.47Å; L26-K28 PolarHBondContact O-N 2.88Å; L26-K28 VanDerWaalsContact O-N 3.1Å
29K48.7Very low52.1Low184 Ų184114.5 Ų114.580%0.861%0.607SS**Hα-helixtrans-103.9-15.3-179.2-63.2-168.1174-166.80113.9L26 K27L26-K29 WeakPolarHBondContact O-CB 3.41Å; L26-K29 PolarHBondContact O-N 2.9Å; K27-K29 PolarHBondContact O-N 3.26Å
30T34.2Very low50.9Low122 Ų122115 Ų11575%0.74862%0.616SS**Hα-helixtrans-128.2-6.7-178.938.20000114.4K27 E32K27-T30 PolarHBondContact O-N 2.92Å; T30-E32 PolarHBondContact O-N 3.18Å
31C33Very low50.2Low76 Ų76111 Ų11151%0.51460%0.599SS.*SBendtrans-70.7115.6152.6-69.30000108.1K27K27-C31 VanDerWaalsContact O-CB 3.24Å; K27-C31 WeakPolarHBondContact O-CB 3.23Å; K27-C31 PolarHBondContact O-N 3.04Å; K27-C31 PolarHBondContact O-SG 2.7Å
32E30.6Very low49.6Very low170 Ų170116 Ų11679%0.79463%0.63SS**  trans-46.7151.9155-70.3-170127.800110.4T30 L34T30-E32 PolarHBondContact O-N 3.18Å; E32-L34 PolarHBondContact O-N 3.5Å
33P38.1Very low49.5Very low122 Ų122115.8 Ų115.879%0.79263%0.632SS**  trans-64.599.4-176.426.9-35000110.7C35P33-C35 PolarHBondContact O-N 3.45Å
34L40.8Very low50.1Low145 Ų145120.1 Ų120.176%0.75965%0.645SS**  trans-45.4112.9166-107.7116.3000108.1E32 S36E32-L34 PolarHBondContact O-N 3.5Å; L34-S36 PolarHBondContact O-N 3.15Å
35C35Very low50.6Low115 Ų115125.1 Ų125.178%0.77766%0.656SS**  trans-44.6127.6-165.8-61.10000110.9P33 L37P33-C35 PolarHBondContact O-N 3.45Å; C35-L37 PolarHBondContact O-N 3.44Å
36S40Very low51.4Low92 Ų92125.3 Ų125.364%0.64366%0.659SS**  trans-56.5100.3-157.9640000113.1L34 K38L34-S36 PolarHBondContact O-N 3.15Å; S36-K38 PolarHBondContact O-N 3.46Å
37L46.8Very low52.9Low121 Ų121122.1 Ų122.163%0.63466%0.655SS**  trans-73.857.7177.2-76.9167.4000111.4C35C35-L37 PolarHBondContact O-N 3.44Å
38K44.8Very low54.3Low191 Ų191126 Ų12683%0.8367%0.666SS**  trans-73.8-20.1161.8-69.5-179.5176.2176.60111S36 G40S36-K38 PolarHBondContact O-N 3.46Å; K38-G40 PolarHBondContact O-N 3.35Å; K38-G40 VanDerWaalsContact O-N 3.07Å
39T53.2Low55.8Low104 Ų104122 Ų12264%0.63866%0.656SS**  trans-71.888.4165.329.10000110.6
40G59.7Low57.3Low47 Ų47117.4 Ų117.449%0.48564%0.639SS.*  trans-58.3160.6155.700000110.7K38K38-G40 PolarHBondContact O-N 3.35Å; K38-G40 VanDerWaalsContact O-N 3.07Å
41S68.4Low59.3Low23 Ų23119.2 Ų119.216%0.16164%0.643CS.*  trans-58.8142.5-178.662.90000112.1I43 P49 I50S41-I43 VanDerWaalsContact C-N 3.27Å; S41-I43 PolarHBondContact O-N 2.98Å; S41-I43 PolarHBondContact OG-O 3.35Å; S41-P49 WeakPolarHBondContact OG-CB 3.41Å; S41-I50 WeakPolarHBondContact CB-O 3.48Å; S41-I50 PolarHBondContact OG-N 3.48Å; S41-I50 PolarHBondContact OG-O 3.32Å
42V69Low61.1Low141 Ų141120 Ų12086%0.85564%0.641SS**SBendtrans-68.5-32.3178.9-177.10000110.7R44V42-R44 PolarHBondContact O-N 2.98Å
43I73.3Confident63.1Low122 Ų122116.4 Ų116.463%0.62663%0.633SS**  trans-75.4119.5177.1-45.9178000109.2S41 I50S41-I43 VanDerWaalsContact C-N 3.27Å; S41-I43 PolarHBondContact O-N 2.98Å; S41-I43 PolarHBondContact OG-O 3.35Å; I43-I50 HydrophobicContact CB-CD1 4.21Å; I43-I50 HydrophobicContact CG2-CD1 3.59Å; I43-I50 HydrophobicContact CG2-CG1 4.43Å; I43-I50 PolarHBondContact O-N 3.25Å
44R81.4Confident64.9Low169 Ų169119.1 Ų119.164%0.63864%0.64SS**EExtended strand (participates in β ladder)trans-118.1140.9-178.2-65.2174.6-179.9-122.710111.3V42 G47 R48V42-R44 PolarHBondContact O-N 2.98Å; R44-G47 PolarHBondContact NH1-O 3.08Å; R44-R48 CarbonylContact C-O 3.59Å; R44-R48 WeakPolarHBondContact CA-O 3.29Å
45F68.3Low66.7Low143 Ų143115.5 Ų115.563%0.62762%0.621SS**EExtended strand (participates in β ladder)trans-120.6124.6171.9-160.5-105.6000108.9G47 R48 I50F45-G47 PolarHBondContact O-N 3.43Å; F45-R48 PolarHBondContact N-O 3.5Å; F45-R48 PolarHBondContact O-N 3.15Å; F45-I50 HydrophobicContact CB-CG1 4.27Å
46H72.1Confident69Low164 Ų164118 Ų11876%0.75961%0.614SS**THydrogen-bonded Turntrans44.547.2-167.7-56.6-64.6000113.4R48H46-R48 PolarHBondContact O-N 3.2Å
47G78Confident70.7Confident52 Ų52117.4 Ų117.454%0.53662%0.615SS.*THydrogen-bonded Turntrans75.3-16.3-179.900000116.1R44 F45R44-G47 PolarHBondContact NH1-O 3.08Å; F45-G47 PolarHBondContact O-N 3.43Å
48R75.9Confident72.5Confident196 Ų196118.1 Ų118.174%0.7462%0.615SS**EExtended strand (participates in β ladder)trans-85.4134179-57.8-178.1-177.4-163.5-0.2110.3R44 F45 H46R44-R48 CarbonylContact C-O 3.59Å; R44-R48 WeakPolarHBondContact CA-O 3.29Å; F45-R48 PolarHBondContact N-O 3.5Å; F45-R48 PolarHBondContact O-N 3.15Å; H46-R48 PolarHBondContact O-N 3.2Å
49P79.8Confident74.2Confident64 Ų64113.1 Ų113.142%0.41659%0.594SS.*EExtended strand (participates in β ladder)trans-63.1138.6173.427.8-34.1000110.3S41S41-P49 WeakPolarHBondContact OG-CB 3.41Å
50I80.1Confident75.4Confident86 Ų86113.2 Ų113.244%0.44159%0.587SS.*PPolyproline II helixtrans-66144.3173.1-61.8-179.8000109S41 I43 F45 L52S41-I50 WeakPolarHBondContact CB-O 3.48Å; S41-I50 PolarHBondContact OG-N 3.48Å; S41-I50 PolarHBondContact OG-O 3.32Å; I43-I50 HydrophobicContact CB-CD1 4.21Å; I43-I50 HydrophobicContact CG2-CD1 3.59Å; I43-I50 HydrophobicContact CG2-CG1 4.43Å; I43-I50 PolarHBondContact O-N 3.25Å; F45-I50 HydrophobicContact CB-CG1 4.27Å; I50-L52 PolarHBondContact O-N 3.05Å
51L76.4Confident76.6Confident160 Ų160115.9 Ų115.984%0.83859%0.594SS**PPolyproline II helixtrans-59.3138.7177.1-63177.5000110.7
52L71.5Confident77.5Confident92 Ų92116.8 Ų116.848%0.48260%0.604SS.*PPolyproline II helixtrans-62.3143.3172.7-65.3175.5000109.8I50 L54I50-L52 PolarHBondContact O-N 3.05Å; L52-L54 PolarHBondContact O-N 3.36Å
53P72.3Confident78.3Confident95 Ų95115.3 Ų115.362%0.61759%0.589SS**PPolyproline II helixtrans-53.5132.4175.7-28.136.3000112.2L55P53-L55 HydrophobicContact CB-CD1 4.49Å; P53-L55 HydrophobicContact CB-CG 4.1Å; P53-L55 PolarHBondContact O-N 2.71Å
54L76.2Confident78.5Confident180 Ų180115 Ų11594%0.94258%0.584SS**  trans-78.671.9179.1-66.5176000110.9L52L52-L54 PolarHBondContact O-N 3.36Å
55L79.6Confident79Confident68 Ų68107.9 Ų107.936%0.35656%0.564SS.*  trans-87.9152.3176.4-60.6177.9000111.3P53 Q59 M63P53-L55 HydrophobicContact CB-CD1 4.49Å; P53-L55 HydrophobicContact CB-CG 4.1Å; P53-L55 PolarHBondContact O-N 2.71Å; L55-Q59 HydrophobicContact CB-CB 4.03Å; L55-Q59 HydrophobicContact CD2-CB 4.26Å; L55-M63 HydrophobicContact CD1-CG 4.28Å
56R81.6Confident80.2Confident168 Ų168107.9 Ų107.963%0.63456%0.56SS**  trans-76.9163.1167.1-57.8-176.9-168.5170.94.1110.6E58 Q59 H60R56-E58 VanDerWaalsContact C-N 3.32Å; R56-E58 IonicContact NH1-OE2 2.78Å; R56-E58 PolarHBondContact O-N 2.95Å; R56-Q59 HydrophobicContact CB-CG 4.3Å; R56-Q59 WeakPolarHBondContact O-CB 3.37Å; R56-Q59 PolarHBondContact O-N 2.8Å; R56-H60 PolarHBondContact O-CD2 3.17Å; R56-H60 PolarHBondContact O-N 2.88Å
57A76.7Confident81.1Confident80 Ų80108.5 Ų108.566%0.66156%0.556SS**Hα-helixtrans-54.3-47.317500000112.2Q59 H60 T61A57-Q59 VanDerWaalsContact C-N 3.27Å; A57-Q59 PolarHBondContact O-N 3.16Å; A57-H60 WeakPolarHBondContact O-CB 3.33Å; A57-H60 PolarHBondContact O-N 2.99Å; A57-H60 VanDerWaalsContact O-N 3.11Å; A57-T61 PolarHBondContact O-N 3.04Å; A57-T61 PolarHBondContact O-OG1 3.26Å
58E84Confident81.7Confident136 Ų136111.3 Ų111.364%0.63656%0.555SS**Hα-helixtrans-50.2-45.5173.2-60.5149.4177.300112.3R56 T61 A62R56-E58 VanDerWaalsContact C-N 3.32Å; R56-E58 IonicContact NH1-OE2 2.78Å; R56-E58 PolarHBondContact O-N 2.95Å; E58-T61 PolarHBondContact O-N 3.01Å; E58-A62 WeakPolarHBondContact O-CB 3.21Å; E58-A62 PolarHBondContact O-N 3.44Å
59Q80.6Confident82.5Confident85 Ų85108.8 Ų108.840%0.39755%0.546SS..Hα-helixtrans-73.6-33.2-178-66174.8-44.600111.9L55 R56 A57 M63L55-Q59 HydrophobicContact CB-CB 4.03Å; L55-Q59 HydrophobicContact CD2-CB 4.26Å; R56-Q59 HydrophobicContact CB-CG 4.3Å; R56-Q59 WeakPolarHBondContact O-CB 3.37Å; R56-Q59 PolarHBondContact O-N 2.8Å; A57-Q59 VanDerWaalsContact C-N 3.27Å; A57-Q59 PolarHBondContact O-N 3.16Å; Q59-M63 VanDerWaalsContact O-CB 3.32Å; Q59-M63 WeakPolarHBondContact O-CB 3.42Å; Q59-M63 VanDerWaalsContact O-CG 3.24Å; Q59-M63 WeakPolarHBondContact O-CG 3.38Å; Q59-M63 PolarHBondContact O-N 2.9Å
60H79.1Confident83Confident106 Ų106108.4 Ų108.449%0.49155%0.548SS..Hα-helixtrans-63.6-44.7170.4-80.2-70.7000111.6R56 A57 M63 H64R56-H60 PolarHBondContact O-CD2 3.17Å; R56-H60 PolarHBondContact O-N 2.88Å; A57-H60 WeakPolarHBondContact O-CB 3.33Å; A57-H60 PolarHBondContact O-N 2.99Å; A57-H60 VanDerWaalsContact O-N 3.11Å; H60-M63 PolarHBondContact O-N 3.24Å; H60-H64 PolarHBondContact O-N 3.33Å
61T84.3Confident83.6Confident103 Ų103108 Ų10863%0.63255%0.546SS*.Hα-helixtrans-63.7-44.7176.3-51.70000111.6A57 E58 M63 H64 G65A57-T61 PolarHBondContact O-N 3.04Å; A57-T61 PolarHBondContact O-OG1 3.26Å; E58-T61 PolarHBondContact O-N 3.01Å; T61-M63 PolarHBondContact O-N 3.39Å; T61-H64 WeakPolarHBondContact O-CB 3.4Å; T61-H64 PolarHBondContact O-N 3.24Å; T61-G65 PolarHBondContact O-N 3.24Å
62A87.6Confident84.3Confident43 Ų43104.9 Ų104.936%0.35553%0.527SS..Hα-helixtrans-59.2-47.6175.200000111.8E58 H64 G65 Y66E58-A62 WeakPolarHBondContact O-CB 3.21Å; E58-A62 PolarHBondContact O-N 3.44Å; A62-H64 VanDerWaalsContact C-N 3.28Å; A62-H64 PolarHBondContact O-N 2.66Å; A62-G65 PolarHBondContact O-N 2.85Å; A62-Y66 HydrophobicContact CB-CD2 4.47Å; A62-Y66 HydrophobicContact CB-CE2 4.17Å; A62-Y66 WeakPolarHBondContact O-CD2 3.43Å; A62-Y66 PolarHBondContact O-N 3.02Å
63M84.5Confident85.4Confident109 Ų109106.3 Ų106.354%0.53753%0.534SS..Hα-helixtrans-62-32.7175.9-75.6-59-56.800113.1L55 Q59 H60 T61 R67L55-M63 HydrophobicContact CD1-CG 4.28Å; Q59-M63 VanDerWaalsContact O-CB 3.32Å; Q59-M63 WeakPolarHBondContact O-CB 3.42Å; Q59-M63 VanDerWaalsContact O-CG 3.24Å; Q59-M63 WeakPolarHBondContact O-CG 3.38Å; Q59-M63 PolarHBondContact O-N 2.9Å; H60-M63 PolarHBondContact O-N 3.24Å; T61-M63 PolarHBondContact O-N 3.39Å; M63-R67 VanDerWaalsContact O-CB 3.32Å; M63-R67 WeakPolarHBondContact O-CB 3.29Å; M63-R67 PolarHBondContact O-N 3.13Å
64H79Confident86.4Confident115 Ų115107 Ų10753%0.53253%0.529SS..Hα-helixtrans-64.8-48.3172.7-164.6-86.2000111.2H60 T61 A62 Y66 R67 Q68H60-H64 PolarHBondContact O-N 3.33Å; T61-H64 WeakPolarHBondContact O-CB 3.4Å; T61-H64 PolarHBondContact O-N 3.24Å; A62-H64 VanDerWaalsContact C-N 3.28Å; A62-H64 PolarHBondContact O-N 2.66Å; H64-Y66 PolarHBondContact O-N 3.24Å; H64-R67 PolarHBondContact O-N 3.39Å; H64-Q68 VanDerWaalsContact CE1-CD 3.41Å; H64-Q68 PolarHBondContact CE1-OE1 2.94Å; H64-Q68 VanDerWaalsContact ND1-CD 3.34Å; H64-Q68 PolarHBondContact ND1-OE1 3.05Å; H64-Q68 WeakPolarHBondContact O-CG 3.48Å; H64-Q68 PolarHBondContact O-N 3.38Å
65G91.7Very high87.1Confident20 Ų20102.8 Ų102.821%0.20651%0.505CS..Hα-helixtrans-64.4-36.4176.900000113.8T61 A62 R69T61-G65 PolarHBondContact O-N 3.24Å; A62-G65 PolarHBondContact O-N 2.85Å; G65-R69 WeakPolarHBondContact O-CB 3.35Å; G65-R69 WeakPolarHBondContact O-CG 3.34Å; G65-R69 PolarHBondContact O-N 2.89Å; G65-R69 VanDerWaalsContact O-N 3.09Å; G65-R69 PolarHBondContact O-NE 2.92Å; G65-R69 VanDerWaalsContact O-NE 3.12Å
66Y93Very high87.7Confident143 Ų143103.3 Ų103.356%0.56151%0.508SS*.Hα-helixtrans-65.8-41.4170.6-69.6-59.3000112.1A62 H64 R69 A70A62-Y66 HydrophobicContact CB-CD2 4.47Å; A62-Y66 HydrophobicContact CB-CE2 4.17Å; A62-Y66 WeakPolarHBondContact O-CD2 3.43Å; A62-Y66 PolarHBondContact O-N 3.02Å; H64-Y66 PolarHBondContact O-N 3.24Å; Y66-R69 VanDerWaalsContact CD1-NH2 3.33Å; Y66-R69 VanDerWaalsContact CE1-NH2 3.35Å; Y66-R69 PolarHBondContact O-N 3.33Å; Y66-A70 WeakPolarHBondContact O-CB 3.39Å; Y66-A70 PolarHBondContact O-N 3.29Å
67R91.1Very high88.3Confident178 Ų178100.5 Ų100.567%0.67250%0.498SS*.Hα-helixtrans-63.9-42.5176.8-175.4178.1-179.4-174.5-1112.3M63 H64 A70 I71M63-R67 VanDerWaalsContact O-CB 3.32Å; M63-R67 WeakPolarHBondContact O-CB 3.29Å; M63-R67 PolarHBondContact O-N 3.13Å; H64-R67 PolarHBondContact O-N 3.39Å; R67-A70 PolarHBondContact O-N 2.96Å; R67-I71 HydrophobicContact CG-CD1 4.06Å; R67-I71 WeakPolarHBondContact O-CD1 3.42Å; R67-I71 VanDerWaalsContact O-CG1 3.31Å; R67-I71 WeakPolarHBondContact O-CG1 3.41Å; R67-I71 PolarHBondContact O-N 3.25Å; R67-I71 VanDerWaalsContact O-N 3.08Å
68Q90.8Very high89.1Confident111 Ų111101.8 Ų101.852%0.51949%0.49SS..Hα-helixtrans-62.8-45.9175.9-72.8174.8-70.400111.4H64 A70 I71 Q72H64-Q68 VanDerWaalsContact CE1-CD 3.41Å; H64-Q68 PolarHBondContact CE1-OE1 2.94Å; H64-Q68 VanDerWaalsContact ND1-CD 3.34Å; H64-Q68 PolarHBondContact ND1-OE1 3.05Å; H64-Q68 WeakPolarHBondContact O-CG 3.48Å; H64-Q68 PolarHBondContact O-N 3.38Å; Q68-A70 PolarHBondContact O-N 2.75Å; Q68-I71 PolarHBondContact O-N 2.87Å; Q68-Q72 PolarHBondContact O-N 2.97Å
69R93.4Very high89.5Confident142 Ų14299.5 Ų99.554%0.53648%0.482SS..Hα-helixtrans-62.1-40.7175.8-75.2178.7-71.5-154.14112.8G65 Y66 I71 Q72 L73G65-R69 WeakPolarHBondContact O-CB 3.35Å; G65-R69 WeakPolarHBondContact O-CG 3.34Å; G65-R69 PolarHBondContact O-N 2.89Å; G65-R69 VanDerWaalsContact O-N 3.09Å; G65-R69 PolarHBondContact O-NE 2.92Å; G65-R69 VanDerWaalsContact O-NE 3.12Å; Y66-R69 VanDerWaalsContact CD1-NH2 3.33Å; Y66-R69 VanDerWaalsContact CE1-NH2 3.35Å; Y66-R69 PolarHBondContact O-N 3.33Å; R69-I71 PolarHBondContact O-N 3.34Å; R69-Q72 PolarHBondContact O-N 3.29Å; R69-L73 WeakPolarHBondContact O-CG 3.47Å; R69-L73 PolarHBondContact O-N 3.34Å
70A89.3Confident90.1Very high56 Ų56101 Ų10146%0.46349%0.493SS..Hα-helixtrans-62.1-42.3175.900000112.4Y66 R67 Q68 L73 E74Y66-A70 WeakPolarHBondContact O-CB 3.39Å; Y66-A70 PolarHBondContact O-N 3.29Å; R67-A70 PolarHBondContact O-N 2.96Å; Q68-A70 PolarHBondContact O-N 2.75Å; A70-L73 PolarHBondContact O-N 2.87Å; A70-E74 PolarHBondContact O-N 2.81Å
71I92.3Very high90.6Very high77 Ų77101.6 Ų101.640%0.39550%0.495SS..Hα-helixtrans-63.8-42.6175.2-67.5163.9000110.8R67 Q68 R69 E74 Q75R67-I71 HydrophobicContact CG-CD1 4.06Å; R67-I71 WeakPolarHBondContact O-CD1 3.42Å; R67-I71 VanDerWaalsContact O-CG1 3.31Å; R67-I71 WeakPolarHBondContact O-CG1 3.41Å; R67-I71 PolarHBondContact O-N 3.25Å; R67-I71 VanDerWaalsContact O-N 3.08Å; Q68-I71 PolarHBondContact O-N 2.87Å; R69-I71 PolarHBondContact O-N 3.34Å; I71-E74 PolarHBondContact O-N 3.12Å; I71-Q75 WeakPolarHBondContact O-CG 3.48Å; I71-Q75 PolarHBondContact O-N 3.39Å
72Q92.8Very high91.1Very high95 Ų95104 Ų10444%0.44449%0.493SS..Hα-helixtrans-63.3-42.4177.3-170.163.96300112Q68 R69 Q75 N76Q68-Q72 PolarHBondContact O-N 2.97Å; R69-Q72 PolarHBondContact O-N 3.29Å; Q72-Q75 PolarHBondContact O-N 2.72Å; Q72-N76 PolarHBondContact NE2-OD1 3Å; Q72-N76 WeakPolarHBondContact O-CB 3.35Å; Q72-N76 PolarHBondContact O-N 3.03Å; Q72-N76 PolarHBondContact O-OD1 3.27Å; Q72-N76 VanDerWaalsContact O-OD1 3.08Å
73L93.5Very high91.3Very high122 Ų122106.7 Ų106.764%0.63950%0.501SS*.Hα-helixtrans-65-38.7176.7-71.5169.3000112R69 A70 N76 R77R69-L73 WeakPolarHBondContact O-CG 3.47Å; R69-L73 PolarHBondContact O-N 3.34Å; A70-L73 PolarHBondContact O-N 2.87Å; L73-N76 PolarHBondContact O-N 3.36Å; L73-R77 WeakPolarHBondContact O-CB 3.45Å; L73-R77 PolarHBondContact O-N 3.34Å
74E92.6Very high91.8Very high109 Ų109108.2 Ų108.251%0.50951%0.505SS..Hα-helixtrans-66.1-43.6175.4-173.6151-121.300111.9A70 I71 R77 E78A70-E74 PolarHBondContact O-N 2.81Å; I71-E74 PolarHBondContact O-N 3.12Å; E74-R77 WeakPolarHBondContact O-CB 3.32Å; E74-R77 PolarHBondContact O-N 2.62Å; E74-R77 IonicContact OE1-NH2 2.66Å; E74-E78 WeakPolarHBondContact O-CG 3.48Å; E74-E78 PolarHBondContact O-N 3.09Å
75Q92.8Very high92.5Very high92 Ų92107.8 Ų107.843%0.4351%0.506SS..Hα-helixtrans-61.7-42.4172.6-73177.4-10.700112.5I71 Q72 R77 E78 N79I71-Q75 WeakPolarHBondContact O-CG 3.48Å; I71-Q75 PolarHBondContact O-N 3.39Å; Q72-Q75 PolarHBondContact O-N 2.72Å; Q75-R77 VanDerWaalsContact C-N 3.32Å; Q75-R77 PolarHBondContact O-N 3.05Å; Q75-E78 PolarHBondContact O-N 3.46Å; Q75-N79 WeakPolarHBondContact O-CB 3.33Å; Q75-N79 VanDerWaalsContact O-CG 3.28Å; Q75-N79 PolarHBondContact O-N 3.16Å; Q75-N79 PolarHBondContact O-ND2 3.39Å
76N92.2Very high92.4Very high80 Ų80111.7 Ų111.743%0.42852%0.52SS..Hα-helixtrans-63.2-40.1176.6-70.68.3000111Q72 L73 N79 L80Q72-N76 PolarHBondContact NE2-OD1 3Å; Q72-N76 WeakPolarHBondContact O-CB 3.35Å; Q72-N76 PolarHBondContact O-N 3.03Å; Q72-N76 PolarHBondContact O-OD1 3.27Å; Q72-N76 VanDerWaalsContact O-OD1 3.08Å; L73-N76 PolarHBondContact O-N 3.36Å; N76-N79 PolarHBondContact O-N 2.87Å; N76-L80 WeakPolarHBondContact O-CB 3.45Å; N76-L80 PolarHBondContact O-N 3.43Å
77R93.8Very high92.3Very high109 Ų109107.5 Ų107.541%0.41152%0.515SS..Hα-helixtrans-64.9-41.6175-170.1-172.461.6655.6112.1L73 E74 Q75 L80 Q81L73-R77 WeakPolarHBondContact O-CB 3.45Å; L73-R77 PolarHBondContact O-N 3.34Å; E74-R77 WeakPolarHBondContact O-CB 3.32Å; E74-R77 PolarHBondContact O-N 2.62Å; E74-R77 IonicContact OE1-NH2 2.66Å; Q75-R77 VanDerWaalsContact C-N 3.32Å; Q75-R77 PolarHBondContact O-N 3.05Å; R77-L80 PolarHBondContact O-N 3.1Å; R77-Q81 VanDerWaalsContact NH1-CD 3.34Å; R77-Q81 WeakPolarHBondContact O-CB 3.21Å; R77-Q81 WeakPolarHBondContact O-CG 3.34Å; R77-Q81 PolarHBondContact O-N 3.43Å
78E92.3Very high92.2Very high106 Ų106106.8 Ų106.850%0.49551%0.512SS..Hα-helixtrans-66.1-40.4174.9-72.9-175.8163.400112.1E74 Q75 Q81 R82E74-E78 WeakPolarHBondContact O-CG 3.48Å; E74-E78 PolarHBondContact O-N 3.09Å; Q75-E78 PolarHBondContact O-N 3.46Å; E78-Q81 PolarHBondContact O-N 2.78Å; E78-R82 PolarHBondContact O-N 2.89Å
79N92.7Very high92.3Very high88 Ų88104.5 Ų104.547%0.47151%0.506SS..Hα-helixtrans-63.9-43.1174-74.6-28.7000111.8Q75 N76 Q81 R82 N83Q75-N79 WeakPolarHBondContact O-CB 3.33Å; Q75-N79 VanDerWaalsContact O-CG 3.28Å; Q75-N79 PolarHBondContact O-N 3.16Å; Q75-N79 PolarHBondContact O-ND2 3.39Å; N76-N79 PolarHBondContact O-N 2.87Å; N79-Q81 VanDerWaalsContact C-N 3.33Å; N79-Q81 PolarHBondContact O-N 3.16Å; N79-R82 WeakPolarHBondContact O-CB 3.41Å; N79-R82 PolarHBondContact O-N 3.38Å; N79-N83 WeakPolarHBondContact O-CB 3.44Å; N79-N83 PolarHBondContact O-N 3.19Å; N79-N83 PolarHBondContact O-OD1 2.98Å
80L92.7Very high92Very high118 Ų118102.5 Ų102.562%0.61850%0.503SS*.Hα-helixtrans-62.7-39.5174.4-176.362.6000111.6N76 R77 N83 K84N76-L80 WeakPolarHBondContact O-CB 3.45Å; N76-L80 PolarHBondContact O-N 3.43Å; R77-L80 PolarHBondContact O-N 3.1Å; L80-N83 PolarHBondContact O-N 3.46Å; L80-K84 VanDerWaalsContact O-CB 3.31Å; L80-K84 WeakPolarHBondContact O-CB 3.38Å; L80-K84 PolarHBondContact O-N 2.74Å
81Q90.8Very high92.1Very high117 Ų117103.3 Ų103.355%0.54750%0.502SS..Hα-helixtrans-66.4-39.9174.4-75.2-179.1-17.100112.4R77 E78 N79 L85R77-Q81 VanDerWaalsContact NH1-CD 3.34Å; R77-Q81 WeakPolarHBondContact O-CB 3.21Å; R77-Q81 WeakPolarHBondContact O-CG 3.34Å; R77-Q81 PolarHBondContact O-N 3.43Å; E78-Q81 PolarHBondContact O-N 2.78Å; N79-Q81 VanDerWaalsContact C-N 3.33Å; N79-Q81 PolarHBondContact O-N 3.16Å; Q81-L85 WeakPolarHBondContact O-CB 3.18Å; Q81-L85 PolarHBondContact O-N 2.82Å; Q81-L85 VanDerWaalsContact O-N 3.08Å
82R93.9Very high91.9Very high153 Ų153104.8 Ų104.858%0.57751%0.509SS*.Hα-helixtrans-59.2-50.2169-94.5-170.562.983.23111.2E78 N79 K84 L85 M86E78-R82 PolarHBondContact O-N 2.89Å; N79-R82 WeakPolarHBondContact O-CB 3.41Å; N79-R82 PolarHBondContact O-N 3.38Å; R82-K84 PolarHBondContact O-N 2.8Å; R82-L85 CarbonylContact O-C 3.54Å; R82-L85 WeakPolarHBondContact O-CB 3.38Å; R82-L85 PolarHBondContact O-N 3.02Å; R82-L85 VanDerWaalsContact O-N 3.1Å; R82-M86 WeakPolarHBondContact O-CG 3.36Å; R82-M86 PolarHBondContact O-N 3.37Å
83N93.1Very high91.6Very high101 Ų101105 Ų10554%0.5451%0.513SS..Hα-helixtrans-64.9-40.2-176.1-67.9-3.3000111.6N79 L80 L85 M86 A87N79-N83 WeakPolarHBondContact O-CB 3.44Å; N79-N83 PolarHBondContact O-N 3.19Å; N79-N83 PolarHBondContact O-OD1 2.98Å; L80-N83 PolarHBondContact O-N 3.46Å; N83-L85 VanDerWaalsContact C-N 3.29Å; N83-L85 PolarHBondContact O-N 2.86Å; N83-M86 PolarHBondContact O-N 3.14Å; N83-A87 WeakPolarHBondContact O-CB 3.38Å; N83-A87 PolarHBondContact O-N 3.28Å
84K94.3Very high91.1Very high140 Ų140102.4 Ų102.461%0.60950%0.5SS*.Hα-helixtrans-65.5-29.5173.7-166.4163.2-172.2162.80112.8L80 R82 R88L80-K84 VanDerWaalsContact O-CB 3.31Å; L80-K84 WeakPolarHBondContact O-CB 3.38Å; L80-K84 PolarHBondContact O-N 2.74Å; R82-K84 PolarHBondContact O-N 2.8Å; K84-R88 VanDerWaalsContact O-CG 3.31Å; K84-R88 WeakPolarHBondContact O-CG 3.44Å; K84-R88 PolarHBondContact O-N 3.27Å
85L93.3Very high90.5Very high107 Ų107103.2 Ų103.256%0.5650%0.503SS*.Hα-helixtrans-74.7-45.6170.6-178.862.3000111.9Q81 R82 N83 A87 R88 V89Q81-L85 WeakPolarHBondContact O-CB 3.18Å; Q81-L85 PolarHBondContact O-N 2.82Å; Q81-L85 VanDerWaalsContact O-N 3.08Å; R82-L85 CarbonylContact O-C 3.54Å; R82-L85 WeakPolarHBondContact O-CB 3.38Å; R82-L85 PolarHBondContact O-N 3.02Å; R82-L85 VanDerWaalsContact O-N 3.1Å; N83-L85 VanDerWaalsContact C-N 3.29Å; N83-L85 PolarHBondContact O-N 2.86Å; L85-A87 VanDerWaalsContact C-N 3.34Å; L85-A87 PolarHBondContact O-N 3.14Å; L85-R88 WeakPolarHBondContact O-CB 3.35Å; L85-R88 PolarHBondContact O-N 3.33Å; L85-V89 WeakPolarHBondContact O-CG2 3.38Å; L85-V89 PolarHBondContact O-N 3.04Å
86M89.8Confident89.4Confident101 Ų101103.2 Ų103.250%0.49851%0.509SS..Hα-helixtrans-60.4-42.2177.1-67-58.4-59.700111.4R82 N83 R88 V89 Q90R82-M86 WeakPolarHBondContact O-CG 3.36Å; R82-M86 PolarHBondContact O-N 3.37Å; N83-M86 PolarHBondContact O-N 3.14Å; M86-R88 PolarHBondContact O-N 3.19Å; M86-V89 PolarHBondContact O-N 3.34Å; M86-Q90 PolarHBondContact O-N 2.89Å
87A90.9Very high87.9Confident55 Ų55106.9 Ų106.946%0.45552%0.524SS..Hα-helixtrans-62.3-39.9174.900000112.3N83 L85 Q90 V91N83-A87 WeakPolarHBondContact O-CB 3.38Å; N83-A87 PolarHBondContact O-N 3.28Å; L85-A87 VanDerWaalsContact C-N 3.34Å; L85-A87 PolarHBondContact O-N 3.14Å; A87-Q90 PolarHBondContact O-N 3.29Å; A87-V91 WeakPolarHBondContact O-CG2 3.5Å; A87-V91 PolarHBondContact O-N 3.48Å
88R89.8Confident86.2Confident163 Ų163107.5 Ų107.562%0.61554%0.539SS*.Hα-helixtrans-65.2-38.7173.2-76.6172.5171-166.6-4.8112.5K84 L85 M86 I92K84-R88 VanDerWaalsContact O-CG 3.31Å; K84-R88 WeakPolarHBondContact O-CG 3.44Å; K84-R88 PolarHBondContact O-N 3.27Å; L85-R88 WeakPolarHBondContact O-CB 3.35Å; L85-R88 PolarHBondContact O-N 3.33Å; M86-R88 PolarHBondContact O-N 3.19Å; R88-I92 WeakPolarHBondContact O-CD1 3.23Å; R88-I92 VanDerWaalsContact O-CG1 3.27Å; R88-I92 WeakPolarHBondContact O-CG1 3.48Å; R88-I92 PolarHBondContact O-N 3.24Å; R88-I92 VanDerWaalsContact O-N 3.09Å
89V92.3Very high84.5Confident64 Ų64110 Ų11039%0.38855%0.551SS.*Hα-helixtrans-65.6-42.6174.3171.30000110.6L85 M86 I92 L93L85-V89 WeakPolarHBondContact O-CG2 3.38Å; L85-V89 PolarHBondContact O-N 3.04Å; M86-V89 PolarHBondContact O-N 3.34Å; V89-I92 PolarHBondContact O-N 3.39Å; V89-L93 HydrophobicContact CG1-CD1 4.14Å; V89-L93 HydrophobicContact CG1-CG 4.49Å; V89-L93 WeakPolarHBondContact O-CG 3.38Å; V89-L93 PolarHBondContact O-N 3.3Å
90Q87.4Confident82.6Confident100 Ų100112.3 Ų112.347%0.46756%0.564SS.*Hα-helixtrans-59.2-52175.5-170.160.852.100111M86 A87 I92 L93 D94M86-Q90 PolarHBondContact O-N 2.89Å; A87-Q90 PolarHBondContact O-N 3.29Å; Q90-I92 PolarHBondContact O-N 3.05Å; Q90-L93 WeakPolarHBondContact O-CA 3.4Å; Q90-L93 WeakPolarHBondContact O-CB 3.11Å; Q90-L93 PolarHBondContact O-N 3.43Å; Q90-D94 PolarHBondContact NE2-OD1 3.38Å; Q90-D94 PolarHBondContact O-N 3.44Å
91V90.4Very high80.4Confident73 Ų73113 Ų11344%0.44257%0.572SS.*Hα-helixtrans-53.6-40.4175.9168.70000111.9A87 D94 H95A87-V91 WeakPolarHBondContact O-CG2 3.5Å; A87-V91 PolarHBondContact O-N 3.48Å; V91-D94 PolarHBondContact O-N 3Å; V91-H95 WeakPolarHBondContact O-CB 3.22Å; V91-H95 PolarHBondContact O-N 2.92Å; V91-H95 PolarHBondContact O-ND1 3.27Å
92I88.8Confident78.5Confident107 Ų107112.7 Ų112.755%0.54958%0.58SS.*Hα-helixtrans-65.9-42.8176.1-69.5163.3000111.6R88 V89 Q90 H95 V96R88-I92 WeakPolarHBondContact O-CD1 3.23Å; R88-I92 VanDerWaalsContact O-CG1 3.27Å; R88-I92 WeakPolarHBondContact O-CG1 3.48Å; R88-I92 PolarHBondContact O-N 3.24Å; R88-I92 VanDerWaalsContact O-N 3.09Å; V89-I92 PolarHBondContact O-N 3.39Å; Q90-I92 PolarHBondContact O-N 3.05Å; I92-H95 PolarHBondContact O-N 2.84Å; I92-V96 WeakPolarHBondContact O-CG2 3.4Å; I92-V96 PolarHBondContact O-N 3.21Å
93L87.4Confident75.6Confident99 Ų99114.1 Ų114.152%0.51859%0.593SS.*Hα-helixtrans-62.6-44.9176.1-67.2169.3000111.2V89 Q90 H95 V96 Q97V89-L93 HydrophobicContact CG1-CD1 4.14Å; V89-L93 HydrophobicContact CG1-CG 4.49Å; V89-L93 WeakPolarHBondContact O-CG 3.38Å; V89-L93 PolarHBondContact O-N 3.3Å; Q90-L93 WeakPolarHBondContact O-CA 3.4Å; Q90-L93 WeakPolarHBondContact O-CB 3.11Å; Q90-L93 PolarHBondContact O-N 3.43Å; L93-H95 VanDerWaalsContact C-N 3.32Å; L93-H95 PolarHBondContact O-N 3.36Å; L93-V96 PolarHBondContact O-N 2.83Å; L93-Q97 WeakPolarHBondContact O-CB 3.14Å; L93-Q97 PolarHBondContact O-N 2.96Å
94D83.1Confident73.1Confident68 Ų68115.3 Ų115.336%0.36460%0.596SS.*Hα-helixtrans-60.3-41.7176.6-52.5-27.4000110.9Q90 V91 Q97 V98Q90-D94 PolarHBondContact NE2-OD1 3.38Å; Q90-D94 PolarHBondContact O-N 3.44Å; V91-D94 PolarHBondContact O-N 3Å; D94-Q97 PolarHBondContact O-N 3.47Å; D94-V98 WeakPolarHBondContact O-CG2 3.43Å; D94-V98 PolarHBondContact O-N 3.29Å
95H78.8Confident70.9Confident127 Ų127115.7 Ų115.759%0.58860%0.597SS**Hα-helixtrans-69.8-35.4178.5-79.255.5000113.3V91 I92 L93 Q99V91-H95 WeakPolarHBondContact O-CB 3.22Å; V91-H95 PolarHBondContact O-N 2.92Å; V91-H95 PolarHBondContact O-ND1 3.27Å; I92-H95 PolarHBondContact O-N 2.84Å; L93-H95 VanDerWaalsContact C-N 3.32Å; L93-H95 PolarHBondContact O-N 3.36Å; H95-Q99 PolarHBondContact O-N 3.38Å
96V70.6Confident68.1Low91 Ų91117.2 Ų117.255%0.55261%0.606SS**Hα-helixtrans-65.1-44.1172.6169.20000109.9I92 L93 V98 Q99I92-V96 WeakPolarHBondContact O-CG2 3.4Å; I92-V96 PolarHBondContact O-N 3.21Å; L93-V96 PolarHBondContact O-N 2.83Å; V96-V98 PolarHBondContact O-N 2.86Å; V96-Q99 PolarHBondContact O-N 2.97Å
97Q60.3Low65.8Low158 Ų158118.8 Ų118.874%0.73862%0.615SS**Hα-helixtrans-68.2-15.5-178.2-167152.785.400114.1L93 D94L93-Q97 WeakPolarHBondContact O-CB 3.14Å; L93-Q97 PolarHBondContact O-N 2.96Å; D94-Q97 PolarHBondContact O-N 3.47Å
98V58.3Low63.1Low121 Ų121125.3 Ų125.373%0.73363%0.633SS**THydrogen-bonded Turntrans-90.5-13.7171.8171.10000112.7D94 V96D94-V98 WeakPolarHBondContact O-CG2 3.43Å; D94-V98 PolarHBondContact O-N 3.29Å; V96-V98 PolarHBondContact O-N 2.86Å
99Q55.8Low61.7Low158 Ų158123.3 Ų123.374%0.73864%0.641SS**  trans-91.5-5.3-171.1-157.4161.2105.400114.8H95 V96 V101H95-Q99 PolarHBondContact O-N 3.38Å; V96-Q99 PolarHBondContact O-N 2.97Å; Q99-V101 PolarHBondContact O-N 3.49Å
100D53.5Low59.4Low138 Ų138126 Ų12674%0.73866%0.66SS**  trans-7420.6179.2-77-36.5000114.9
101V46.3Very low56.7Low131 Ų131127.3 Ų127.379%0.79467%0.674SS**SBendtrans-124.9101.2173-174.70000110.2Q99Q99-V101 PolarHBondContact O-N 3.49Å
102P50.5Low53.8Low111 Ų111129.7 Ų129.772%0.72169%0.693SS**  trans-92.6138.3-171.633.8-33.9000113.7
103H34.1Very low51.2Low183 Ų183134.4 Ų134.485%0.84771%0.71SS**  trans-152164.5145.7-135.8-89.4000114.2
104E39.3Very low49.1Very low127 Ų127135.3 Ų135.359%0.59372%0.724SS**  trans-94.8156.2-154.9-54.2-167.111000118.1
105K48.4Very low46.6Very low148 Ų148136.5 Ų136.564%0.64374%0.743SS**  trans54.8124.4143.2-66154.6-167.7159.40119.2
106N34.7Very low44.6Very low139 Ų139136.2 Ų136.274%0.74375%0.751SS**  -178.2129.298.7-98.4-70.7000115.5
107I41.3Very low43.1Very low134 Ų134138.6 Ų138.669%0.68777%0.765SS**  trans69.2127.8136.6-66.3171.8000122.4
108K33.3Very low41.8Very low191 Ų191135.5 Ų135.583%0.8376%0.761SS**  trans73.7119.3156.8-81.5166.7-174.8176.10121.2
109P60.3Low40.7Very low121 Ų121132.4 Ų132.479%0.78675%0.753SS**  trans-99168.6160.639.5-33.5000112.8
110P45.4Very low39.9Very low122 Ų122134.8 Ų134.879%0.79276%0.757SS**  trans-130.9105.5151.133.8-18.8000114.1
111V29.8Very low39.3Very low126 Ų126133.8 Ų133.876%0.76476%0.756SS**  trans35106.5136.8-1730000118.5
112C30.8Very low39Very low124 Ų124134.4 Ų134.484%0.83876%0.755SS**  trans-70.5143.2150.3-59.60000110.4
113K32.6Very low38.2Very low206 Ų206134.6 Ų134.690%0.89675%0.753SS**  trans-99.7118.8163-73.5-175.7178.7178.80109.6
114S43.9Very low38.3Very low117 Ų117130.6 Ų130.682%0.81874%0.742SS**  trans-115.2147.7163.949.90000109.7
115A30.6Very low37.8Very low93 Ų93131.5 Ų131.577%0.76975%0.751SS**  trans-127109.5168.500000106.2
116T37.1Very low37.4Very low122 Ų122129.7 Ų129.775%0.74876%0.757SS**  86.692.882.9-69.30000108.7
117V38.5Very low38Very low140 Ų140129.8 Ų129.885%0.84877%0.765SS**  100.1145.787.4135.40000109.8
118S33.8Very low37.5Very low93 Ų93126.6 Ų126.665%0.6577%0.765SS**  cis-159.4142.9-12.3171.50000107
119G34.8Very low37.4Very low56 Ų56125.8 Ų125.858%0.57777%0.769SS**  144169.991.600000109.6
120Y37.7Very low36.6Very low208 Ų208124.8 Ų124.882%0.81676%0.762SS**  cis-148.2132.210.7-39.8-90.8000110.8
121T42.6Very low36Very low118 Ų118128.4 Ų128.472%0.72477%0.766SS**  trans16.4142.7131.852.80000120.7
122L39.7Very low36.1Very low144 Ų144128.6 Ų128.675%0.75477%0.767SS**  cis-173.5160.79.5-103163.2000111.4
123V34.3Very low36.7Very low115 Ų115127.7 Ų127.770%0.69776%0.759SS**  trans69.7143135.3162.30000122.1
124T34.5Very low36.4Very low99 Ų99125 Ų12561%0.60775%0.75SS**  cis-164.4175.1-19.536.80000111.4
125D28.8Very low35.7Very low145 Ų145128.6 Ų128.678%0.77575%0.751SS**  trans105.4142.7137.8-69-42.9000122.5
126S40.1Very low35.6Very low111 Ų111135.1 Ų135.178%0.77676%0.756SS**  trans-132.6155.2178.4-53.40000109.7
127P48.3Very low36.2Very low141 Ų141133.5 Ų133.592%0.91675%0.747SS**  -145.1-171.7106.835.1-17.9000113.2
128G29.8Very low35.7Very low66 Ų66133.7 Ų133.768%0.6874%0.743SS**  trans-156.9-162.1-175.700000116.6
129L32.8Very low35.4Very low175 Ų175135.2 Ų135.292%0.91675%0.749SS**  trans67.4164.7-172.9-82.6124.8000115
130P43.4Very low35.3Very low99 Ų99139.2 Ų139.264%0.64376%0.762SS**  cis-138.1-1764.944.1-27.5000117.9
131K31.3Very low35Very low199 Ų199137.6 Ų137.687%0.86576%0.761SS**  trans89.6148.9145-85.7170.9-177.21800122.9
132V33.4Very low35.2Very low130 Ų130137 Ų13779%0.78876%0.76SS**  trans-111.1170.3177.2-149.20000108.6
133P42.6Very low35.3Very low104 Ų104135.1 Ų135.168%0.67576%0.756SS**  -149.3154.994.138.4-21.2000117
134E27.1Very low34.9Very low151 Ų151134.9 Ų134.971%0.70676%0.759SS**  trans47.3142.1139.4-58176.2124.300120.9
135F27.6Very low35.1Very low192 Ų192139 Ų13984%0.84277%0.771SS**  cis-145.2168.845.5-96.8-91.9000116.2
136R28.3Very low35.4Very low230 Ų230138.5 Ų138.587%0.86878%0.776SS**  trans-102.8-175.2178.1-108.1-170.6155.5-163.7-3.6110.5
137P51.4Low34.9Very low88 Ų88138.2 Ų138.257%0.57177%0.774SS**  cis-141.5-156.9-38.640.2-20.7000113
138N28.2Very low34Very low143 Ų143136.2 Ų136.277%0.76576%0.763SS**  trans75.2137.7153.9-71.15.7000117.9
139V26.8Very low34.1Very low125 Ų125141.4 Ų141.476%0.75877%0.77SS**  cis-135.4176.11.9-115.60000108.4
140V32.5Very low34.2Very low141 Ų141139.2 Ų139.286%0.85576%0.764SS**  cis-133.2-177.931-169.50000111.1
141E30.8Very low34.7Very low173 Ų173139.5 Ų139.581%0.80877%0.766SS**  trans-112.8-175-170.4-112.4-158.613000113.1
142P46.9Very low34.5Very low106 Ų106137.2 Ų137.269%0.68876%0.762SS**  trans-123-131.9-139.436.5-10.6000111.1
143P41.2Very low34.3Very low104 Ų104136.3 Ų136.368%0.67576%0.756SS**  cis-139.9-179.3-2.741.9-20.9000119.1
144S28Very low33.5Very low110 Ų110138 Ų13877%0.76976%0.759SS**  trans77.7133.7146.954.10000122.2
145H37Very low33.6Very low185 Ų185133.9 Ų133.986%0.85676%0.758SS**  trans-88.2167.8169.5-48.9-92.8000110.9
146P36.7Very low33.6Very low135 Ų135135.2 Ų135.288%0.87776%0.759SS**  -142.2-161.788.939.3-23.2000113.9
147S29.1Very low33.7Very low105 Ų105132 Ų13273%0.73475%0.751SS**  trans-116.5174.1-166.558.60000115.7
148S29.4Very low32.7Very low99 Ų99134.3 Ų134.369%0.69275%0.754SS**  trans69.395.115445.10000121.5
149E31.6Very low32.9Very low176 Ų176134.6 Ų134.682%0.82275%0.751SS**  54.7116.9120.7-68.9-174.312800125.6
150T35.3Very low33.3Very low129 Ų129136 Ų13679%0.79175%0.747SS**  trans71.5171140.670.70000120.3
151P53.6Low33.4Very low105 Ų105135.2 Ų135.268%0.68274%0.738SS**  cis-130.2-149.8-17.623.33000113.6
152I26.8Very low33.4Very low150 Ų150133.5 Ų133.577%0.76973%0.734SS**  trans94.1135.1155.2-66.5168.3000118.8
153V28.6Very low32.5Very low111 Ų111136.8 Ų136.867%0.67374%0.737SS**  cis-169.1163.5-21.581.20000114.3
154N27.4Very low31.8Very low139 Ų139137.7 Ų137.774%0.74374%0.741SS**  trans69143.6157.5-76.3-10.6000124.7
155G28.4Very low31.9Very low66 Ų66141 Ų14168%0.6874%0.744SS**  trans-172.8-29.715400000125.7
156Y27.6Very low31.6Very low219 Ų219139.9 Ų139.986%0.85974%0.744SS**  trans57.8162.1-179.6-59.6-81.7000117.5
157K31.1Very low31.2Very low162 Ų162142.4 Ų142.470%0.70474%0.744SS**  cis-156.3168.47.6-147.7-168.7170.7-153.60112.3
158E29.1Very low31.4Very low137 Ų137147 Ų14764%0.6475%0.754SS**  trans68.1107.6164.7-78.7157-152.100117.9
159E33Very low31.3Very low149 Ų149151.5 Ų151.570%0.69676%0.756SS**  85.9139.260.3-74.2-163-178.100112.8
160K36.5Very low31.3Very low156 Ų156147.9 Ų147.968%0.67875%0.75SS**  cis-170.5176.90.5-114.7177.4-165.7142.80107.2
161D33.2Very low31.2Very low123 Ų123147.9 Ų147.966%0.65874%0.741SS**  cis-168.7165.4-22.7-139.3-27.4000103.7
162L30.6Very low30.3Very low138 Ų138151.5 Ų151.572%0.72375%0.749SS**  cis-136.8165.711.1-81.6164.6000106.8
163K28.1Very low30.8Very low175 Ų175153 Ų15376%0.76175%0.753SS**  cis89.8111.230.9-164.7-175.6-175.5179.40115.3
164V28.1Very low31.1Very low123 Ų123155.9 Ų155.975%0.74576%0.759SS**  trans-174.4110.1136.4146.40000111.2
165E28.3Very low31.5Very low180 Ų180158.5 Ų158.584%0.84177%0.767SS**  trans57.7150.2137.7-54.1-178.4146.300124.9
166N31.5Very low32Very low161 Ų161161.7 Ų161.786%0.86177%0.768SS**  trans-99.8158.7177.5-57.2-42.9000110.8
167E27.9Very low33Very low188 Ų188159.2 Ų159.288%0.87977%0.77SS**  trans-159.171.7138.5-129.6179.1-165.800112.8R169E167-R169 PolarHBondContact O-N 2.91Å
168E34.6Very low33.8Very low201 Ų201159.9 Ų159.994%0.93978%0.775SS**  trans-83.892.2161.2-75.8-160.3148.600109.2S170E168-S170 PolarHBondContact O-N 2.74Å
169R27.1Very low34.6Very low193 Ų193161.1 Ų161.173%0.72879%0.786SS**  trans-74.2111.4179.4175.6172.8161.6143.3-5.7110.7E167 E171E167-R169 PolarHBondContact O-N 2.91Å; R169-E171 HydrophobicContact CG-CG 4.08Å; R169-E171 IonicContact CZ-OE1 3.59Å; R169-E171 IonicContact NE-OE1 3.22Å; R169-E171 PolarHBondContact NE-OE1 3.4Å; R169-E171 IonicContact NH2-OE1 3.66Å; R169-E171 PolarHBondContact NH2-OE1 3.15Å; R169-E171 PolarHBondContact O-N 2.79Å
170S31.6Very low35.7Very low100 Ų100160.6 Ų160.670%0.69979%0.787SS**  trans-68117.8166.952.20000110.4E168E168-S170 PolarHBondContact O-N 2.74Å
171E33.4Very low37.4Very low129 Ų129156.2 Ų156.260%0.60378%0.776SS**  trans-107.690.9164.9-60.1-162.8136.900108R169 E173R169-E171 HydrophobicContact CG-CG 4.08Å; R169-E171 IonicContact CZ-OE1 3.59Å; R169-E171 IonicContact NE-OE1 3.22Å; R169-E171 PolarHBondContact NE-OE1 3.4Å; R169-E171 IonicContact NH2-OE1 3.66Å; R169-E171 PolarHBondContact NH2-OE1 3.15Å; R169-E171 PolarHBondContact O-N 2.79Å; E171-E173 PolarHBondContact O-N 3.31Å
172E34.2Very low38.4Very low181 Ų181156.3 Ų156.385%0.84678%0.776SS**  trans-74.591.5164.1-62.8-173.7156.800107.1E174E172-E174 PolarHBondContact O-N 2.95Å
173E36.2Very low39.9Very low182 Ų182155.3 Ų155.385%0.8577%0.771SS**  trans-71.8109.5165.8-71.6-170.9150.500108E171E171-E173 PolarHBondContact O-N 3.31Å
174E35.5Very low41.9Very low171 Ų171150.6 Ų150.680%0.79976%0.76SS**  trans-60.2133.2169.5-65-175.1104.800109E172 D176E172-E174 PolarHBondContact O-N 2.95Å; E174-D176 PolarHBondContact O-N 3.38Å
175E36Very low44.1Very low195 Ų195149.2 Ų149.291%0.91175%0.748SS**  trans-78.663.8178.9-165.3170.9-141.400109.6
176D39.4Very low46.2Very low132 Ų132143.9 Ų143.971%0.70673%0.725SS**  trans-67.4133.6170.2-99.2-18.2000109.7E174 E178E174-D176 PolarHBondContact O-N 3.38Å; D176-E178 PolarHBondContact O-N 2.7Å
177D48.2Very low48.2Very low167 Ų167143.1 Ų143.189%0.89371%0.714SS**  trans-72.365.5-179.2-76.6-61.9000111.9D179D177-D179 PolarHBondContact O-N 3.35Å
178E47.2Very low50.4Low177 Ų177143.4 Ų143.483%0.82771%0.707SS**  trans-71.4106.3171.6-77.3-150.6154.200111.6D176 I180D176-E178 PolarHBondContact O-N 2.7Å; E178-I180 PolarHBondContact O-N 3.3Å; E178-I180 VanDerWaalsContact O-N 3.12Å
179D46.2Very low52.4Low163 Ų163136.5 Ų136.587%0.87268%0.681SS**  trans-49.9115.9171.7-97.2-42.1000111.5D177 S181D177-D179 PolarHBondContact O-N 3.35Å; D179-S181 VanDerWaalsContact C-N 3.31Å; D179-S181 PolarHBondContact O-N 2.7Å
180I55.3Low54.8Low137 Ų137136 Ų13670%0.70368%0.679SS**  trans-70.483.9-172.5-52.7176.9000110.9E178 L182 L185E178-I180 PolarHBondContact O-N 3.3Å; E178-I180 VanDerWaalsContact O-N 3.12Å; I180-L182 PolarHBondContact O-N 3.43Å; I180-L185 HydrophobicContact CG2-CD1 3.78Å; I180-L185 HydrophobicContact CG2-CD2 4.31Å; I180-L185 HydrophobicContact CG2-CG 3.9Å
181S72Confident56.5Low64 Ų64135.9 Ų135.945%0.44867%0.667SS.*  trans-59.9135.7179.6-179.80000112.2D179 D183 S184 L185D179-S181 VanDerWaalsContact C-N 3.31Å; D179-S181 PolarHBondContact O-N 2.7Å; S181-D183 PolarHBondContact O-N 2.66Å; S181-S184 WeakPolarHBondContact O-CB 3.47Å; S181-S184 PolarHBondContact O-N 2.81Å; S181-L185 PolarHBondContact O-N 3.28Å
182L55.4Low57.9Low125 Ų125137.7 Ų137.765%0.65467%0.67SS**Hα-helixtrans-56.1-36-178.4-170.172000112.1I180 S184 L185 L186I180-L182 PolarHBondContact O-N 3.43Å; L182-S184 PolarHBondContact O-N 3.29Å; L182-L185 PolarHBondContact O-N 3.36Å; L182-L186 HydrophobicContact CD2-CD1 4.26Å; L182-L186 HydrophobicContact CG-CD1 3.98Å; L182-L186 HydrophobicContact CG-CG 4.39Å; L182-L186 WeakPolarHBondContact O-CB 3.24Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.43Å; L182-L186 PolarHBondContact O-N 3.45Å
183D62.4Low59.6Low117 Ų117133 Ų13363%0.62665%0.654SS**Hα-helixtrans-68.8-32.5179.8-83.9-23.5000112.8S181 L186 K187S181-D183 PolarHBondContact O-N 2.66Å; D183-L186 PolarHBondContact O-N 2.83Å; D183-K187 WeakPolarHBondContact O-CB 3.41Å; D183-K187 PolarHBondContact O-N 3.06Å
184S69.8Low60.9Low77 Ų77129.5 Ų129.554%0.53864%0.637SS.*Hα-helixtrans-65.3-40.4173.8-65.20000111.4S181 L182 K187 R188S181-S184 WeakPolarHBondContact O-CB 3.47Å; S181-S184 PolarHBondContact O-N 2.81Å; L182-S184 PolarHBondContact O-N 3.29Å; S184-K187 PolarHBondContact O-N 3.22Å; S184-R188 PolarHBondContact O-N 2.86Å
185L74.4Confident62.3Low93 Ų93128.1 Ų128.149%0.48763%0.625SS.*Hα-helixtrans-67.3-41.7173-72.7171.2000112.4I180 S181 L182 K187 R188 S189I180-L185 HydrophobicContact CG2-CD1 3.78Å; I180-L185 HydrophobicContact CG2-CD2 4.31Å; I180-L185 HydrophobicContact CG2-CG 3.9Å; S181-L185 PolarHBondContact O-N 3.28Å; L182-L185 PolarHBondContact O-N 3.36Å; L185-K187 VanDerWaalsContact C-N 3.34Å; L185-R188 PolarHBondContact O-N 3.47Å; L185-S189 PolarHBondContact O-N 2.76Å; L185-S189 PolarHBondContact O-OG 3.14Å
186L71.1Confident63.8Low68 Ų68123.8 Ų123.836%0.35661%0.605SS.*Hα-helixtrans-68.2-31.7176.7-70.6172.3000112.5L182 D183 S189 R190L182-L186 HydrophobicContact CD2-CD1 4.26Å; L182-L186 HydrophobicContact CG-CD1 3.98Å; L182-L186 HydrophobicContact CG-CG 4.39Å; L182-L186 WeakPolarHBondContact O-CB 3.24Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.43Å; L182-L186 PolarHBondContact O-N 3.45Å; D183-L186 PolarHBondContact O-N 2.83Å; L186-S189 PolarHBondContact O-OG 3.03Å; L186-S189 VanDerWaalsContact O-OG 3.1Å; L186-R190 WeakPolarHBondContact O-CB 3.18Å; L186-R190 WeakPolarHBondContact O-CD 3.42Å; L186-R190 WeakPolarHBondContact O-CG 3.49Å; L186-R190 PolarHBondContact O-N 3.18Å
187K75.1Confident64.5Low145 Ų145123.5 Ų123.563%0.6360%0.599SS**Hα-helixtrans-69.1-46.7173.2-166.8175-178.8-175.70111D183 S184 L185 S189 R190 E191D183-K187 WeakPolarHBondContact O-CB 3.41Å; D183-K187 PolarHBondContact O-N 3.06Å; S184-K187 PolarHBondContact O-N 3.22Å; L185-K187 VanDerWaalsContact C-N 3.34Å; K187-S189 PolarHBondContact O-N 3.08Å; K187-R190 PolarHBondContact O-N 2.98Å; K187-E191 PolarHBondContact O-N 3.32Å
188R74.2Confident64.5Low195 Ų195121.2 Ų121.274%0.73659%0.587SS**Hα-helixtrans-59-40.6172.4-102.6-178.1173.1168.70.2112.8S184 L185 E191 Y192S184-R188 PolarHBondContact O-N 2.86Å; L185-R188 PolarHBondContact O-N 3.47Å; R188-E191 PolarHBondContact O-N 2.97Å; R188-Y192 PolarHBondContact O-N 2.95Å
189S75.6Confident64.8Low56 Ų56119.5 Ų119.539%0.39258%0.579SS.*Hα-helixtrans-71.3-38.2179.571.40000112.9L185 L186 K187 Y192 V193L185-S189 PolarHBondContact O-N 2.76Å; L185-S189 PolarHBondContact O-OG 3.14Å; L186-S189 PolarHBondContact O-OG 3.03Å; L186-S189 VanDerWaalsContact O-OG 3.1Å; K187-S189 PolarHBondContact O-N 3.08Å; S189-Y192 PolarHBondContact O-N 3.32Å; S189-V193 WeakPolarHBondContact O-CG2 3.42Å; S189-V193 PolarHBondContact O-N 2.9Å
190R76.8Confident64.6Low182 Ų182119.3 Ų119.369%0.68757%0.572SS**Hα-helixtrans-60.9-44.2171.6-73168.6-169.3-99.26.6111.7L186 K187 Y192 V193 Q194L186-R190 WeakPolarHBondContact O-CB 3.18Å; L186-R190 WeakPolarHBondContact O-CD 3.42Å; L186-R190 WeakPolarHBondContact O-CG 3.49Å; L186-R190 PolarHBondContact O-N 3.18Å; K187-R190 PolarHBondContact O-N 2.98Å; R190-Y192 VanDerWaalsContact C-N 3.33Å; R190-Y192 PolarHBondContact O-N 3.33Å; R190-V193 PolarHBondContact O-N 2.89Å; R190-Q194 WeakPolarHBondContact O-CB 3.49Å; R190-Q194 PolarHBondContact O-N 3.31Å
191E67.5Low63.8Low97 Ų97123.2 Ų123.245%0.45358%0.578SS.*Hα-helixtrans-58.7-42.5172.8-89-166.2-153.100112.7K187 R188 Q194 R195K187-E191 PolarHBondContact O-N 3.32Å; R188-E191 PolarHBondContact O-N 2.97Å; E191-Q194 PolarHBondContact O-N 2.85Å; E191-R195 WeakPolarHBondContact O-CB 3.34Å; E191-R195 PolarHBondContact O-N 3.08Å; E191-R195 IonicContact OE2-CZ 3.29Å; E191-R195 IonicContact OE2-NH2 3.01Å; E191-R195 PolarHBondContact OE2-NH2 3.31Å
192Y62.9Low62Low167 Ų167126.5 Ų126.566%0.65560%0.599SS**Hα-helixtrans-64.2-42.9-178.9-151.2-83.5000111.8R188 S189 R190 Q194 R195 E196R188-Y192 PolarHBondContact O-N 2.95Å; S189-Y192 PolarHBondContact O-N 3.32Å; R190-Y192 VanDerWaalsContact C-N 3.33Å; R190-Y192 PolarHBondContact O-N 3.33Å; Y192-Q194 VanDerWaalsContact C-N 3.35Å; Y192-R195 WeakPolarHBondContact O-CB 3.31Å; Y192-R195 PolarHBondContact O-N 3.38Å; Y192-E196 HydrophobicContact CD1-CG 4.41Å; Y192-E196 HydrophobicContact CE1-CG 4.48Å; Y192-E196 PolarHBondContact O-N 2.71Å
193V70.8Confident60.8Low84 Ų84125.5 Ų125.551%0.50961%0.608SS.*Hα-helixtrans-64.4-38.6174.4174.30000111.6S189 R190 R195 Q197S189-V193 WeakPolarHBondContact O-CG2 3.42Å; S189-V193 PolarHBondContact O-N 2.9Å; R190-V193 PolarHBondContact O-N 2.89Å; V193-R195 VanDerWaalsContact C-N 3.33Å; V193-Q197 WeakPolarHBondContact O-CG 3.4Å; V193-Q197 PolarHBondContact O-N 2.67Å; V193-Q197 VanDerWaalsContact O-N 3.13Å
194Q62.7Low59.4Low107 Ų107128.7 Ų128.750%0.562%0.619SS.*Hα-helixtrans-65.8-36.4174.7-16368.244.800111.9R190 E191 Y192 N198R190-Q194 WeakPolarHBondContact O-CB 3.49Å; R190-Q194 PolarHBondContact O-N 3.31Å; E191-Q194 PolarHBondContact O-N 2.85Å; Y192-Q194 VanDerWaalsContact C-N 3.35Å; Q194-N198 PolarHBondContact O-N 3.03Å; Q194-N198 VanDerWaalsContact O-N 3.16Å
195R65.8Low57.4Low142 Ų142133.2 Ų133.254%0.53663%0.634SS.*Hα-helixtrans-67.2-45.3177.4-130.4172.1-74.2-161.1-2.2111.7E191 Y192 V193 N198 Q199E191-R195 WeakPolarHBondContact O-CB 3.34Å; E191-R195 PolarHBondContact O-N 3.08Å; E191-R195 IonicContact OE2-CZ 3.29Å; E191-R195 IonicContact OE2-NH2 3.01Å; E191-R195 PolarHBondContact OE2-NH2 3.31Å; Y192-R195 WeakPolarHBondContact O-CB 3.31Å; Y192-R195 PolarHBondContact O-N 3.38Å; V193-R195 VanDerWaalsContact C-N 3.33Å; R195-N198 PolarHBondContact O-N 2.95Å; R195-Q199 WeakPolarHBondContact O-CG 3.47Å; R195-Q199 PolarHBondContact O-N 2.97Å; R195-Q199 VanDerWaalsContact O-N 3.17Å
196E66Low55.4Low105 Ų105134.6 Ų134.649%0.49165%0.646SS.*Hα-helixtrans-57.7-46.5173.4-85.2-95.3106.300112.2Y192 N198 Q199Y192-E196 HydrophobicContact CD1-CG 4.41Å; Y192-E196 HydrophobicContact CE1-CG 4.48Å; Y192-E196 PolarHBondContact O-N 2.71Å; E196-N198 VanDerWaalsContact C-N 3.32Å; E196-N198 PolarHBondContact O-N 3.13Å; E196-Q199 PolarHBondContact O-N 3.48Å
197Q54.6Low53.3Low125 Ų125137.9 Ų137.958%0.58466%0.664SS**Hα-helixtrans-64.3-36.3178.7-72-174.315.900112.7V193 Q199V193-Q197 WeakPolarHBondContact O-CG 3.4Å; V193-Q197 PolarHBondContact O-N 2.67Å; V193-Q197 VanDerWaalsContact O-N 3.13Å; Q197-Q199 VanDerWaalsContact C-N 3.31Å; Q197-Q199 PolarHBondContact O-N 3.09Å
198N49.1Very low51.8Low119 Ų119135.4 Ų135.464%0.63666%0.662SS**Hα-helixtrans-73.5-18.7177.4-75-10.4000113.6Q194 R195 E196Q194-N198 PolarHBondContact O-N 3.03Å; Q194-N198 VanDerWaalsContact O-N 3.16Å; R195-N198 PolarHBondContact O-N 2.95Å; E196-N198 VanDerWaalsContact C-N 3.32Å; E196-N198 PolarHBondContact O-N 3.13Å
199Q52.4Low49.8Very low142 Ų142133.8 Ų133.866%0.66467%0.667SS**THydrogen-bonded Turntrans-84.9-3.7177.7-73.7179.311.700114.1R195 E196 Q197 R201R195-Q199 WeakPolarHBondContact O-CG 3.47Å; R195-Q199 PolarHBondContact O-N 2.97Å; R195-Q199 VanDerWaalsContact O-N 3.17Å; E196-Q199 PolarHBondContact O-N 3.48Å; Q197-Q199 VanDerWaalsContact C-N 3.31Å; Q197-Q199 PolarHBondContact O-N 3.09Å; Q199-R201 PolarHBondContact O-N 3.45Å
200Q42.2Very low47.5Very low158 Ų158137 Ų13774%0.73869%0.689SS**SBendtrans-95.830.3179.6-63.7-170.41100114.4
201R38.2Very low45.2Very low219 Ų219137.1 Ų137.183%0.82670%0.695SS**SBendtrans-120.2143160.3-69-167.2-173.3-178.15.2110.1Q199Q199-R201 PolarHBondContact O-N 3.45Å
202P34.9Very low43.3Very low134 Ų134138.9 Ų138.987%0.8771%0.712SS**PPolyproline II helixtrans-65.1137.6176.2-16.930.9000111.2
203A31.4Very low42.1Very low103 Ų103136.5 Ų136.585%0.85172%0.717SS**PPolyproline II helixtrans-84.4117.5163.800000108.8
204E31.5Very low40.9Very low185 Ų185138.1 Ų138.186%0.86473%0.729SS**PPolyproline II helixtrans-87.4155.2163.7-163.9157.2-140.500109.2
205M29.2Very low39.1Very low172 Ų172137.4 Ų137.485%0.84774%0.741SS**PPolyproline II helixtrans-75139-164.4-176.1169.9158.800112.5
206V31.5Very low37.3Very low122 Ų122139.1 Ų139.174%0.73976%0.755SS**  trans-116.8137.2-179.7176.20000110.2
207D27.9Very low35.4Very low136 Ų136138.5 Ų138.573%0.72776%0.763SS**  trans-150.6159160.5-106.4-34.4000108.8
208P44Very low34.1Very low93 Ų93139.1 Ų139.160%0.60478%0.775SS**  -129159.8-112.940.2-27.7000118.6
209I30.1Very low33Very low162 Ų162138.2 Ų138.283%0.83178%0.778SS**  trans66.5111.6155.1-61.3154.4000119.1
210S27.5Very low31.7Very low122 Ų122139.9 Ų139.985%0.85378%0.783SS**  trans-158-179.4132.2-161.30000111
211K29.6Very low31.1Very low185 Ų185139.9 Ų139.980%0.80478%0.783SS**  trans-111135.7-161.5-56.1174.7-177.1175.20114.5
212V27.7Very low30.7Very low134 Ų134136.5 Ų136.581%0.81278%0.777SS**  38.7134.7123.8-176.10000119
213P37.6Very low30.4Very low117 Ų117136.7 Ų136.776%0.7677%0.766SS**  cis-128-130.3-3.736.7-11.7000113.7
214P45.8Very low30.2Very low119 Ų119138.4 Ų138.477%0.77376%0.756SS**  -132.3-173-128.341.4-18.4000118.2
215A25.2Very low29.9Very low91 Ų91139.7 Ų139.775%0.75275%0.753SS**  trans100.6163.6155.300000120
216E26.8Very low29.7Very low178 Ų178136.9 Ų136.983%0.83275%0.75SS**  trans74.688.9166.1-51.9-160.8168.400120.9
217S27.3Very low29.7Very low93 Ų93136 Ų13665%0.6575%0.749SS**  22.7143122.258.80000123.4
218V25.9Very low30.9Very low137 Ų137134.8 Ų134.883%0.8375%0.748SS**  trans61.5161152.6-63.90000118.3
219S26Very low30.2Very low101 Ų101137.7 Ų137.771%0.70676%0.757SS**  cis-167147.9-34.256.50000111
220F26.2Very low30.4Very low177 Ų177140.2 Ų140.278%0.77676%0.756SS**  trans49.9117.5147.5-124.3-100.5000121.9
221E29.7Very low30.6Very low157 Ų157139.7 Ų139.773%0.73474%0.744SS**  trans60.4172.7159.8-65.2-175.9156.200116
222Q28.8Very low30.6Very low148 Ų148136.6 Ų136.669%0.69275%0.746SS**  cis-149.5124.19.8-163166.6-5.500113.2
223Q27.9Very low30.6Very low138 Ų138133.9 Ų133.965%0.64574%0.744SS**  trans52.2126.5132.7-151.5166.434.900122.6
224Q27.7Very low30.4Very low139 Ų139136.1 Ų136.165%0.6575%0.748SS**  trans65.1132.1145.4-78.9-178.327.300118.8
225R24.6Very low29.8Very low212 Ų212138.2 Ų138.280%0.875%0.748SS**  cis-139-16219.2-59.8-169.5174.4138.49.4109.1
226C25.8Very low30Very low114 Ų114142.8 Ų142.877%0.7775%0.751SS**  cis-153.9-143.210.7-154.50000112.4
227S30.9Very low30.1Very low103 Ų103137.9 Ų137.972%0.7275%0.748SS**  trans-153.3-175-179.1-41.70000108.2
228P54.7Low30.2Very low110 Ų110143 Ų14371%0.71476%0.759SS**  cis-144.3166.11239.7-19000119.1
229I27.7Very low30.4Very low155 Ų155141.3 Ų141.380%0.79575%0.753SS**  162.3132.8123.8-84.8164.2000112.4
230R35.7Very low30.6Very low214 Ų214143 Ų14381%0.80875%0.753SS**  trans12.4153.2155.3-71.2178.9174.5-101.17122
231D30.3Very low30.7Very low111 Ų111141.8 Ų141.859%0.59475%0.75SS**  cis-158.9159.64.3-128-42.1000113.8
232S31.3Very low30.7Very low121 Ų121142.9 Ų142.985%0.84676%0.755SS**  trans58.2143.2168.369.70000119.1
233G27.5Very low31.2Very low76 Ų76141.1 Ų141.178%0.78476%0.759SS**  cis-173.2133.2-8.800000110.3
234I33.1Very low31.9Very low164 Ų164140.2 Ų140.284%0.84177%0.765SS**  trans-136.9159.4-161.9-74.1172.7000107.7
235E33.3Very low31.9Very low164 Ų164140.4 Ų140.477%0.76678%0.775SS**  cis169.6-168.9-21.2-155.9-165.1-169.300104.3
236F29.8Very low32Very low187 Ų187133.4 Ų133.482%0.8277%0.769SS**  trans-40.9160.3179.5-89-125.7000119.1
237G28Very low32.9Very low74 Ų74134.1 Ų134.176%0.76377%0.772SS**  trans161.3119.2150.200000118.2
238F29.3Very low32.8Very low200 Ų200135.3 Ų135.388%0.87778%0.775SS**  trans-77.8149.5-179.9-75.6-102.2000115.8
239S31Very low32.5Very low103 Ų103135.5 Ų135.572%0.7278%0.776SS**  109.1147.7126.3-124.50000122.9
240L29.6Very low32.4Very low135 Ų135135.9 Ų135.971%0.70778%0.777SS**  trans82.9108.9153.2-64.2161.3000122.8
241H28.8Very low32.2Very low153 Ų153133 Ų13371%0.70877%0.772SS**  trans83.3149136.7-67.9-50000124.4
242H29.2Very low32.1Very low179 Ų179135.5 Ų135.583%0.82978%0.781SS**  trans81.3154.4159.1-57.7-54.1000121
243S38.6Very low31.8Very low112 Ų112138.3 Ų138.378%0.78378%0.781SS**  trans-117.9153.6-176-50.80000111.1
244P43.1Very low33.4Very low118 Ų118139.6 Ų139.677%0.76678%0.775SS**  -127.1162.9124.88.514.4000110.1
245V28.1Very low34.2Very low144 Ų144136.7 Ų136.787%0.87377%0.767SS**  cis71.6124.544-174.10000113
246G27.2Very low33.9Very low65 Ų65139.7 Ų139.767%0.6777%0.773SS**  trans-88.2-159.4-179.200000114.2
247P43.9Very low33.9Very low128 Ų128136.6 Ų136.683%0.83177%0.765SS**  cis-142.9-167.138.242-21.5000117.7
248T28.4Very low34.8Very low128 Ų128138.2 Ų138.279%0.78576%0.762SS**  trans-60.5-179.2172.843.10000115.7
249P48.6Very low35Very low114 Ų114132.8 Ų132.874%0.7475%0.749SS**  cis-149178.921.345.2-25.7000120.1
250M26.2Very low36Very low164 Ų164132.6 Ų132.681%0.80875%0.745SS**  trans-156.2120.5138.8-83.1-143.974.100113.4
251Q31Very low36Very low152 Ų152133.5 Ų133.571%0.7175%0.746SS**  trans21.6147.5130.2-93.6-171.5-27.100122.1
252Q27.5Very low36.1Very low165 Ų165134.5 Ų134.577%0.77175%0.748SS**  cis-139.5-17210.6-61.1-170.3-15.700113.7
253Q25.9Very low36.1Very low180 Ų180130.4 Ų130.484%0.84174%0.739SS**  trans-149.6-170-170.2-72.7-164.8-62.800111.7
254P60.7Low35.6Very low103 Ų103131.5 Ų131.567%0.66974%0.741SS**  cis-114.9-88.7-42.326.7-6.4000108.5
255P51Low35.4Very low103 Ų103130.9 Ų130.967%0.66974%0.737SS**  -59.2-165.1-58.9-21.237.8000113.8
256Y25.5Very low35.4Very low226 Ų226131.8 Ų131.889%0.88674%0.736SS**  cis-152.6-170.7-9.2-129.4-40.1000109.8
257D31.5Very low35.5Very low123 Ų123134.2 Ų134.266%0.65874%0.743SS**  trans-159.8173.8179-172.534.6000109.4S259D257-S259 VanDerWaalsContact CG-N 3.34Å; D257-S259 PolarHBondContact OD1-N 3.25Å; D257-S259 PolarHBondContact OD2-N 2.87Å
258P46.3Very low35.8Very low108 Ų108133.3 Ų133.370%0.70174%0.737SS**  -156.8109.895.138.3-16.2000118.6
259S34Very low35.7Very low85 Ų85133.8 Ų133.859%0.59474%0.74SS**  61.6-171.9124.186.70000120.6D257D257-S259 VanDerWaalsContact CG-N 3.34Å; D257-S259 PolarHBondContact OD1-N 3.25Å; D257-S259 PolarHBondContact OD2-N 2.87Å
260P50.6Low35.1Very low99 Ų99137.2 Ų137.264%0.64374%0.743SS**  cis-136.7173.6-16.733.6-13000117.2
261Q30.8Very low35.7Very low155 Ų155135.3 Ų135.372%0.72474%0.743SS**  trans84.7144.2157.1-43.2-152.364.300119.2
262K29.4Very low35.4Very low173 Ų173134.9 Ų134.975%0.75274%0.741SS**  cis172.8153.7-26.3-102.1164-163.5167.70106.1
263S30.6Very low35.4Very low93 Ų93136.3 Ų136.365%0.6574%0.739SS**  cis-176.6133.3-18.149.90000110.9
264V26.7Very low35.5Very low136 Ų136138 Ų13882%0.82474%0.739SS**  45.8147.3126.7179.40000120
265P39.3Very low33.9Very low105 Ų105136.5 Ų136.568%0.68274%0.736SS**  cis-138.6174.612.724.92000119.6
266L28.2Very low32.9Very low163 Ų163138.7 Ų138.785%0.85374%0.737SS**  trans31.2119.3140.4-56.5166.9000123.9
267S30.2Very low33.2Very low115 Ų115134.9 Ų134.980%0.80473%0.731SS**  trans49.6165.5132.8-130.50000122.4
268P50.5Low33.7Very low109 Ų109135 Ų13571%0.70874%0.738SS**  cis-122-136.6-21.532.4-10.1000111.8
269V26.2Very low32.8Very low139 Ų139135 Ų13584%0.84274%0.741SS**  trans91.6155.5161.8-178.20000119.1
270K35.1Very low33.2Very low186 Ų186136.7 Ų136.781%0.80975%0.75SS**  trans-111.8154.1178.8-53.7172.1-177.7172.50111.6
271P37.9Very low32.2Very low124 Ų124140.7 Ų140.781%0.80576%0.76SS**  -130.1152.4118.46.416000111.2
272E26.2Very low32.2Very low143 Ų143138.8 Ų138.867%0.66876%0.763SS**  cis85.8107.149.7-72.5-127.2116.500116.8
273R26.6Very low32.3Very low195 Ų195136.3 Ų136.374%0.73677%0.768SS**  trans70.6103.4137.9-58.4-171.9-156.5-166.715.1123.7
274Y27.5Very low32.6Very low215 Ų215139 Ų13984%0.84378%0.78SS**  55.2125.4105.3-84.4-72.7000123.8
275A28.3Very low32.6Very low72 Ų72137.9 Ų137.960%0.59578%0.779SS**  trans80.9155133.900000118.9
276H28.7Very low32.5Very low149 Ų149138.5 Ų138.569%0.6978%0.783SS**  cis-136.9144.216-83.6-90.7000115.1
277L33.5Very low32.8Very low145 Ų145142 Ų14276%0.75978%0.784SS**  17.8153.5120.3-72.6177.5000120.3
278P41.2Very low33.1Very low126 Ų126142.6 Ų142.682%0.81879%0.785SS**  cis-151.2162.143.842.1-22.1000121
279S27.7Very low32.3Very low109 Ų109143.1 Ų143.176%0.76279%0.79SS**  trans-161.7157137.453.10000110.7
280P42.8Very low32.9Very low119 Ų119148.5 Ų148.577%0.77380%0.796SS**  trans-111.4145.3-165.539.2-31.8000117.4
281E27.9Very low33Very low184 Ų184151.1 Ų151.186%0.8680%0.801SS**  trans41.7127.3141.7-55.4-160.6131.400124.3
282S31Very low33.2Very low114 Ų114154.2 Ų154.280%0.79780%0.801SS**  trans86.5113136.477.40000121.3
283S32.6Very low33.6Very low121 Ų121153.5 Ų153.585%0.84681%0.809SS**  -173155.9100.147.50000111.5
284V35.8Very low34.2Very low150 Ų150155.3 Ų155.391%0.90982%0.816SS**  trans-131.2132.2-179.8174.20000109.6
285S26.8Very low34.6Very low113 Ų113151 Ų15179%0.7982%0.815SS**  trans-105145.4-177.8-164.60000111.8
286P38.7Very low34.9Very low118 Ų118154.5 Ų154.577%0.76683%0.828SS**  trans-94.9157.1-156.736-36.7000116.1
287R34.4Very low35.3Very low235 Ų235152.3 Ų152.389%0.88783%0.829SS**  trans-114.3140.1160.4-71.5-172.9176.2-167.3-0.4110.6C289R287-C289 PolarHBondContact O-N 3.06Å
288P35.3Very low35.6Very low128 Ų128151.6 Ų151.683%0.83183%0.831SS**  trans-83.2106.3-172.931.3-34.8000113.5R290P288-R290 PolarHBondContact O-N 3.11Å
289C33.6Very low35.2Very low120 Ų120148.7 Ų148.781%0.81182%0.824SS**  trans-74.8107.8170.6-69.60000111.7R287 R291R287-C289 PolarHBondContact O-N 3.06Å; C289-R291 PolarHBondContact O-N 3.34Å; C289-R291 VanDerWaalsContact O-N 3.15Å
290R38.5Very low35.6Very low253 Ų253150.4 Ų150.496%0.95582%0.824SS**  trans-64.2113.3167.8-76.1-169.6174-161-1.8110P288P288-R290 PolarHBondContact O-N 3.11Å
291R37.3Very low35.3Very low241 Ų241152 Ų15291%0.90983%0.825SS**PPolyproline II helixtrans-72.9143177.8-71.7177.1169.8162.8-3110.8C289C289-R291 PolarHBondContact O-N 3.34Å; C289-R291 VanDerWaalsContact O-N 3.15Å
292K42.1Very low35.3Very low188 Ų188151.3 Ų151.382%0.81782%0.822SS**PPolyproline II helixtrans-66.4141.8163.1-60.6-177.5179.6-174.20109
293P34.6Very low35.5Very low129 Ų129152 Ų15284%0.83882%0.815SS**PPolyproline II helixtrans-62.6142.7167.428-33.5000109.8
294R40.5Very low35.5Very low232 Ų232151.5 Ų151.588%0.87581%0.811SS**PPolyproline II helixtrans-96.5153.2163.7-75.6-179.1174.6170.3-3108.2
295P35.4Very low35.8Very low126 Ų126152.6 Ų152.682%0.81880%0.804SS**PPolyproline II helixtrans-58.3145170.726.8-34.8000110.3
296V35.6Very low36.4Very low145 Ų145153 Ų15388%0.87980%0.804SS**PPolyproline II helixtrans-70.9135.5178.1-171.90000108.8
297S36.6Very low36.5Very low102 Ų102155 Ų15571%0.71381%0.807SS**PPolyproline II helixtrans-66.4147.9175.3-170.80000110.6G299S297-G299 PolarHBondContact O-N 2.99Å
298T40.1Very low36.3Very low131 Ų131148 Ų14880%0.80480%0.8SS**PPolyproline II helixtrans-53.6119.3168.342.50000110.6
299G31.3Very low36.5Very low64 Ų64148.3 Ų148.366%0.6680%0.801SS**PPolyproline II helixtrans-98.6133.3164.600000109.3S297 I301S297-G299 PolarHBondContact O-N 2.99Å; G299-I301 PolarHBondContact O-N 2.87Å
300N37.7Very low36.7Very low145 Ų145146.4 Ų146.478%0.77579%0.794SS**PPolyproline II helixtrans-70.3119.1178.9-66.1-4.3000109.8
301I35.4Very low36.6Very low153 Ų153142.3 Ų142.379%0.78579%0.791SS**  trans-90.5114.3168.6-59.8177.5000107.4G299 I303G299-I301 PolarHBondContact O-N 2.87Å; I301-I303 PolarHBondContact O-N 3.31Å
302H28.5Very low36.5Very low170 Ų170138.1 Ų138.179%0.78779%0.786SS**  trans-70.6120.2168.2-80.7-110.5000109S304H302-S304 PolarHBondContact O-N 2.68Å
303I35.7Very low36Very low128 Ų128137.6 Ų137.666%0.65679%0.79SS**  trans-83.7104.9174.3-56.7175.9000108I301 F305I301-I303 PolarHBondContact O-N 3.31Å; I303-F305 HydrophobicContact CB-CE2 4.4Å; I303-F305 HydrophobicContact CG2-CD2 3.86Å; I303-F305 HydrophobicContact CG2-CE1 4.24Å; I303-F305 HydrophobicContact CG2-CE2 3.53Å; I303-F305 HydrophobicContact CG2-CG 4.35Å; I303-F305 HydrophobicContact CG2-CZ 3.74Å
304S32.8Very low36.1Very low110 Ų110135.9 Ų135.977%0.76979%0.787SS**  trans-90.2101.3170.7-63.10000109.7H302 P306H302-S304 PolarHBondContact O-N 2.68Å; S304-P306 WeakPolarHBondContact O-CD 3.18Å
305F40.6Very low35.5Very low173 Ų173136.9 Ų136.976%0.75979%0.791SS**  trans-81.6131.6166.8-65.2-82.8000110.4I303I303-F305 HydrophobicContact CB-CE2 4.4Å; I303-F305 HydrophobicContact CG2-CD2 3.86Å; I303-F305 HydrophobicContact CG2-CE1 4.24Å; I303-F305 HydrophobicContact CG2-CE2 3.53Å; I303-F305 HydrophobicContact CG2-CG 4.35Å; I303-F305 HydrophobicContact CG2-CZ 3.74Å
306P40Very low35.6Very low122 Ų122136.2 Ų136.279%0.79279%0.789SS**  trans-106103.6153.133.2-23.2000109.5S304S304-P306 WeakPolarHBondContact O-CD 3.18Å
307I39.6Very low35.8Very low160 Ų160135.6 Ų135.682%0.82179%0.788SS**  trans-122.9115.8154.5-60.3179.1000106.3
308A32.1Very low35.3Very low89 Ų89134.5 Ų134.574%0.73679%0.793SS**  trans-137.1132.616600000107.3A310A308-A310 PolarHBondContact O-N 3.01Å
309P39.3Very low35.1Very low134 Ų134138.2 Ų138.287%0.8779%0.792SS**  trans-86.6111.3-172.832.3-32.1000111
310A36.4Very low35Very low79 Ų79141.8 Ų141.865%0.65380%0.801SS**  trans-139-55.3174.400000112A308 L312A308-A310 PolarHBondContact O-N 3.01Å; A310-L312 VanDerWaalsContact C-N 3.29Å; A310-L312 PolarHBondContact O-N 2.69Å
311D36.3Very low34.7Very low168 Ų168140.6 Ų140.690%0.89879%0.791SS**  trans-88.258.9-166.9-56.3-42.5000113.7
312L36Very low34.5Very low153 Ų153140.8 Ų140.880%0.80179%0.793SS**  trans-106.9154.4159.3-74.2175.8000109.8A310A310-L312 VanDerWaalsContact C-N 3.29Å; A310-L312 PolarHBondContact O-N 2.69Å
313I32Very low34.5Very low176 Ų176135.4 Ų135.490%0.90378%0.784SS**  trans85.9133176.9-52.4168.6000114.4
314A35.5Very low34.3Very low93 Ų93134.6 Ų134.677%0.76980%0.796SS**  trans-103.3161.9-177.800000112.6
315R29.5Very low34Very low253 Ų253133.4 Ų133.496%0.95580%0.801SS**  trans-150.1117.1166.8-119.8175.5178.4172.6-0.8111.6
316S36.4Very low33.3Very low112 Ų112136.7 Ų136.778%0.78381%0.809SS**  trans-90.4164.216058.30000109.5
317P39.7Very low32.9Very low132 Ų132136.5 Ų136.586%0.85781%0.805SS**  -152.3168.48939.5-21.5000116.5
318G27Very low32.4Very low80 Ų80135.3 Ų135.383%0.82580%0.8SS**  trans155.4124.6165.700000113.3
319R34.8Very low32.2Very low208 Ų208142.6 Ų142.679%0.78581%0.809SS**  trans-121.9154.5-178.6-57.6-175.7-173.9-156.7-0.4112.6E321R319-E321 WeakPolarHBondContact CD-OE1 3.22Å; R319-E321 IonicContact CZ-OE1 3.14Å; R319-E321 IonicContact NE-OE1 3.85Å; R319-E321 IonicContact NH1-OE1 2.78Å; R319-E321 PolarHBondContact NH1-OE1 2.7Å
320V28.9Very low31.6Very low139 Ų139140.6 Ų140.684%0.84280%0.799SS**  -150.1111.8114.9-162.20000104.7
321E31.8Very low31.1Very low121 Ų121145.4 Ų145.457%0.56581%0.807SS**  53130.184-84165.7-145.500115.3R319R319-E321 WeakPolarHBondContact CD-OE1 3.22Å; R319-E321 IonicContact CZ-OE1 3.14Å; R319-E321 IonicContact NE-OE1 3.85Å; R319-E321 IonicContact NH1-OE1 2.78Å; R319-E321 PolarHBondContact NH1-OE1 2.7Å
322D31.5Very low30.7Very low156 Ų156143.8 Ų143.883%0.83480%0.803SS**  cis-158.1-174.4-18.7-136.847.9000108.5
323G28.2Very low30.4Very low58 Ų58143.8 Ų143.860%0.59880%0.803SS**  cis169.1-160.610.900000115
324A31.2Very low30.2Very low110 Ų110141 Ų14191%0.90980%0.799SS**  trans5199.416400000120.7
325G27Very low29.8Very low85 Ų85142 Ų14288%0.87681%0.808SS**  trans179.1124.3159.500000111.2
326R26.5Very low29.8Very low243 Ų243133.4 Ų133.492%0.91780%0.798SS**  trans-131.6167.6-166.9-156.117679.6-169.25113
327V31.1Very low29.4Very low118 Ų118133 Ų13372%0.71580%0.795SS**  trans91.798.7-175.9-175.40000110.7
328D28.5Very low28.8Very low134 Ų134133.7 Ų133.772%0.71779%0.79SS**  cis76.6117.248.4-168.524.4000114.2
329W28.5Very low28.8Very low242 Ų242135 Ų13592%0.91779%0.786SS**  trans-168.1105.8154.2-84.2113.8000109.6
330S25.9Very low28.3Very low93 Ų93131.6 Ų131.665%0.6578%0.783SS**  trans-83.7156.7135.9-59.60000107.2
331E27.3Very low28.3Very low179 Ų179137.9 Ų137.984%0.83679%0.791SS**  cis-163.8-161.436.1-154.4-169.8150.700109.9
332V26.6Very low28Very low135 Ų135135.2 Ų135.282%0.81880%0.797SS**  trans91.2142.8166.6-168.60000116.3
333L30.2Very low27.8Very low153 Ų153134.1 Ų134.180%0.80180%0.796SS**  trans-118.7167.1-158.9-67161.7000112.6
334S29Very low27.6Very low117 Ų117138.2 Ų138.282%0.81880%0.799SS**  trans53.797.7143.6-64.50000120
335A27.3Very low27.3Very low114 Ų114142.8 Ų142.894%0.94279%0.793SS**  trans-147.4160.613200000109.4
336G28.4Very low27.4Very low72 Ų72149 Ų14974%0.74279%0.79SS**  trans-169.6-164.3176.700000112.9
337S28.9Very low27.3Very low105 Ų105143.5 Ų143.573%0.73478%0.778SS**  trans81.3104.2166.9-168.70000119.3
338I27Very low27.2Very low146 Ų146142.6 Ų142.675%0.74978%0.777SS**  80.7110.4129.2-66177.7000120.9
339C26.1Very low27.3Very low108 Ų108140.6 Ų140.673%0.7377%0.774SS**  trans69.6166.7138.788.80000125
340N23.8Very low27.5Very low136 Ų136139.7 Ų139.773%0.72777%0.77SS**  trans71.499.2164.2-79.617.8000121
341W28.7Very low27.7Very low270 Ų270146.5 Ų146.5100%1.02378%0.782SS**  trans-140159.2133.8-64101.2000107
342G26.6Very low27.8Very low66 Ų66142.8 Ų142.868%0.6878%0.776SS**  cis175.9160.30.600000108.1
343V26.2Very low28Very low133 Ų133140.6 Ų140.681%0.80677%0.766SS**  trans-109.8142.1-170.1171.20000111.7
344E25.7Very low28Very low143 Ų143141.4 Ų141.467%0.66877%0.766SS**  trans64.8167.4169.1-79177.5-171.300116.6
345R24.2Very low27.9Very low207 Ų207141.8 Ų141.878%0.78177%0.767SS**  cis-140.2-175.45-149167-110.4-151.3-4.9112.3
346R28.5Very low28Very low214 Ų214140 Ų14081%0.80876%0.759SS**  trans-57.5175.1171.5-50.2-175.9179.2-163.70.8112.5
347D25.9Very low28Very low128 Ų128143.7 Ų143.768%0.68477%0.768SS**  cis-155.417829.5-134.3-47.2000117.5
348S28.6Very low28Very low99 Ų99143.2 Ų143.269%0.69277%0.765SS**  trans-65165.7-173.8-46.50000115.3
349S30.2Very low28.6Very low92 Ų92142 Ų14264%0.64377%0.766SS**  152.6134.3102.2-158.80000116.1
350R31.9Very low28.5Very low223 Ų223142.2 Ų142.284%0.84276%0.764SS**  trans64.5107.1145.8-72.1165.7-158.2-143.61.3123.7
351R31.5Very low28.8Very low236 Ų236143.1 Ų143.189%0.89176%0.764SS**  66.9117.1112.2-74.6-172.6175.2-149.40.7122.7
352S27.9Very low28.7Very low102 Ų102137.5 Ų137.571%0.71375%0.749SS**  98.4153.1113.9-165.90000122
353S31.1Very low28.6Very low88 Ų88141 Ų14162%0.61575%0.745SS**  trans85.697.1147.660000122.2
354H29.6Very low28.6Very low171 Ų171141.2 Ų141.279%0.79274%0.742SS**  62.9123.9125.3-49.2-48.5000124.1
355C27.7Very low28.6Very low124 Ų124139.3 Ų139.384%0.83875%0.745SS**  trans61.678.6131.2-56.70000121.6
356G29.2Very low29.9Very low76 Ų76134.7 Ų134.778%0.78474%0.741SS**  46.9132.3111.800000123.6
357T28.9Very low29.8Very low150 Ų150130.4 Ų130.492%0.9274%0.739SS**  trans-149.5158.6147.2230000110
358S27.7Very low29.9Very low96 Ų96129.4 Ų129.467%0.67174%0.741SS**  trans-97.8163165.4-171.50000109.3V360S358-V360 PolarHBondContact OG-N 2.76Å
359P40.5Very low29.8Very low119 Ų119130.2 Ų130.277%0.77375%0.747SS**  -143.4126.8105.736.1-21.5000115.9Q361P359-Q361 PolarHBondContact O-N 2.58Å
360V25Very low29.5Very low114 Ų114130.5 Ų130.569%0.69175%0.749SS**  12.1103.6114.6178.60000113.8S358S358-V360 PolarHBondContact OG-N 2.76Å
361Q29.6Very low29.3Very low155 Ų155126.4 Ų126.472%0.72475%0.749SS**  77.4117.580.9179-152.110300114.8P359P359-Q361 PolarHBondContact O-N 2.58Å
362E25.3Very low29.6Very low152 Ų152120.4 Ų120.471%0.7174%0.74SS**  trans-140.2123.8149.5-79.5-132.3139.200107.2
363K25.4Very low29.5Very low139 Ų139121.1 Ų121.160%0.60475%0.745SS**  72.8139.384.9-69175.4-157.1164.90112.2
364N25.2Very low29.3Very low137 Ų137121.4 Ų121.473%0.73375%0.753SS**  cis-152.2136.619.5-104.7-28.4000110.1
365S27.3Very low29.1Very low104 Ų104120.4 Ų120.473%0.72775%0.751SS**  105.8177.499.478.60000112.8
366P51.2Low29Very low110 Ų110120.9 Ų120.971%0.71475%0.75SS**  -134.7-145.8-99.241.6-20.5000114.1
367V27.1Very low28.8Very low124 Ų124122.9 Ų122.975%0.75274%0.738SS**  trans78.6102.4177.9-169.80000112.4
368S26.1Very low28.7Very low106 Ų106122.8 Ų122.874%0.74173%0.727SS**  9414954.8-69.20000113.3
369S26.5Very low28.7Very low116 Ų116124.7 Ų124.781%0.81173%0.73SS**  trans69.1154.1179.175.90000117.5
370S23.8Very low28.3Very low98 Ų98126.9 Ų126.969%0.68573%0.729SS**  -178.3114.8-61.3450000111.9
371V27.7Very low28.9Very low137 Ų137129.3 Ų129.383%0.8374%0.738SS**  trans63.8165.8157-171.60000115.1
372P39Very low28.9Very low111 Ų111127.4 Ų127.472%0.72174%0.741SS**  cis-91.4-177.1-31.91310.5000110.8
373S25.6Very low29.8Very low117 Ų117129 Ų12982%0.81875%0.754SS**  cis84.6155.925-1520000116.9
374A26.1Very low30.1Very low94 Ų94125.3 Ų125.378%0.77776%0.756SS**  trans70.1141.1-172.700000116.8
375M25.6Very low30.3Very low150 Ų150124.7 Ų124.774%0.73975%0.747SS**  cis106.597.611-176.3-172.8160.300115.1
376T25.8Very low30.9Very low133 Ų133128.2 Ų128.282%0.81674%0.744SS**  trans-160.9133.9161180000107
377H25.2Very low30.5Very low118 Ų118132.5 Ų132.555%0.54675%0.746SS.*  cis67.613227.5-55.5-91.8000113.3
378H27.7Very low31Very low149 Ų149136 Ų13669%0.6975%0.746SS**  cis-156.8-1583.4-127.4-37.6000112.1
379D27.4Very low31.3Very low135 Ų135135 Ų13572%0.72274%0.738SS**  trans73.2151.2160.9-55.2-19.1000120.6
380H32.5Very low31.6Very low165 Ų165138.9 Ų138.976%0.76474%0.743SS**  cis-165.7178-45.8-121.5-49.3000110.6
381L35.9Very low32.2Very low166 Ų166139.6 Ų139.687%0.86974%0.743SS**  trans99.5156.2165-58.3178.8000120.3
382S31.1Very low32.4Very low114 Ų114141.3 Ų141.380%0.79775%0.747SS**  trans-118.5157.6-158.3-48.80000112.4
383L43.6Very low31.9Very low185 Ų185143.5 Ų143.597%0.96975%0.752SS**  trans-168.7129.9137-104.7164.3000109.4
384G32.6Very low32.4Very low63 Ų63142.9 Ų142.965%0.64975%0.748SS**  trans-124.6159.6-165.800000115.3
385F29.5Very low32.5Very low124 Ų124146.5 Ų146.554%0.54475%0.749SS.*  trans70.2132.3-177.6-72.8-110.2000114.9R388 C389 T391F385-R388 HydrophobicContact CD1-CB 4.5Å; F385-R388 HydrophobicContact CE1-CB 4.04Å; F385-C389 HydrophobicContact CE1-CB 4.4Å; F385-C389 VanDerWaalsContact CE1-SG 3.55Å; F385-C389 HydrophobicContact CZ-CB 4.12Å; F385-C389 VanDerWaalsContact CZ-N 3.27Å; F385-C389 VanDerWaalsContact CZ-SG 3.58Å; F385-T391 HydrophobicContact CE2-CG2 4.05Å
386R38.5Very low33Very low177 Ų177145.8 Ų145.867%0.66875%0.747SS**SBendcis-145.9145.845.6-110.5-167.3-162.1-1235.2109.1
387R43.9Very low33.1Very low201 Ų201146.8 Ų146.876%0.75875%0.748SS**SBendcis-155.7126.823.7-52.4175.5-162.8-117.5-13.9108.4
388R36.1Very low33.3Very low197 Ų197144.8 Ų144.874%0.74374%0.744SS**  cis-149.3148.8-5.7-50.8-174.3-173-155.84.2110.1F385F385-R388 HydrophobicContact CD1-CB 4.5Å; F385-R388 HydrophobicContact CE1-CB 4.04Å
389C33.1Very low33.4Very low86 Ų86146.4 Ų146.458%0.58175%0.749SS**  trans6279.6156.3-50.70000119F385F385-C389 HydrophobicContact CE1-CB 4.4Å; F385-C389 VanDerWaalsContact CE1-SG 3.55Å; F385-C389 HydrophobicContact CZ-CB 4.12Å; F385-C389 VanDerWaalsContact CZ-N 3.27Å; F385-C389 VanDerWaalsContact CZ-SG 3.58Å
390H33.1Very low33.7Very low197 Ų197147.9 Ų147.991%0.91275%0.752SS**  trans-127.7123.4133.1-106.7-80.8000107.9
391T35.8Very low33.9Very low112 Ų112146.3 Ų146.369%0.68776%0.759SS**  trans-132.6116.6176.1450000107.3F385F385-T391 HydrophobicContact CE2-CG2 4.05Å
392L33.1Very low33.7Very low173 Ų173141.4 Ų141.491%0.90675%0.749SS**  trans-80.9125.6158.6-73.9174.6000107
393D27.2Very low33.9Very low158 Ų158140.6 Ų140.685%0.84575%0.749SS**  trans-132.6131.9151.2-123.8-38.6000107.2
394S35.6Very low33.5Very low104 Ų104140.7 Ų140.773%0.72774%0.744SS**  trans-146.175.1-176.3172.80000108.6
395Q29.1Very low33.5Very low170 Ų170147.1 Ų147.179%0.79476%0.758SS**  trans-120.9138160.7-81.7-64.8-5.700109.9
396L36.4Very low33.8Very low135 Ų135146 Ų14671%0.70776%0.761SS**  trans-77134.8173.6-65.2102.2000109.3
397N27.3Very low33.8Very low153 Ų153143.7 Ų143.782%0.81876%0.762SS**  -151.1113.8117-92.7-48.9000108.9
398T30.1Very low33.4Very low76 Ų76144.6 Ų144.647%0.46677%0.765SS.*  81.9123.366-520000111.2
399F30.5Very low33.3Very low183 Ų183139.6 Ų139.680%0.80376%0.761SS**  trans70.4145.9-176.6-49.1-56.7000114.9
400Q33.8Very low33.3Very low167 Ų167144.5 Ų144.578%0.7878%0.775SS**  cis-159.5146.2-1.4-130.6170.154.400110.5
401S34.9Very low33.3Very low132 Ų132144.4 Ų144.492%0.92378%0.775SS**  trans56.1149.4162.1-1260000118.8
402G31.7Very low33.2Very low63 Ų63150.5 Ų150.565%0.64979%0.785SS**  cis164.9143.3-2.500000109
403A36.3Very low33.3Very low97 Ų97150 Ų15080%0.80278%0.782SS**  trans28.8115.2169.200000119.9
404E34.7Very low33.9Very low186 Ų186147.9 Ų147.987%0.86978%0.777SS**  17915395.2-90.7-159.4150.800112.3
405Q33.4Very low33.9Very low199 Ų199154.5 Ų154.593%0.9379%0.787SS**  trans-112.8105.5-176-179.6-178.8-0.800110.2
406V35.1Very low34.3Very low101 Ų101156.1 Ų156.161%0.61279%0.791SS**  trans-116.7115.3-177.8178.20000111.4
407D39.3Very low34.4Very low127 Ų127158.2 Ų158.268%0.67980%0.799SS**  trans-61147.2170.4-175.42.5000111S409D407-S409 PolarHBondContact OD1-N 3.23Å; D407-S409 PolarHBondContact OD1-OG 2.97Å; D407-S409 VanDerWaalsContact OD1-OG 3.05Å; D407-S409 PolarHBondContact OD2-OG 3.35Å
408R35.1Very low34.7Very low220 Ų220155.5 Ų155.583%0.8380%0.798SS**  trans-141.630.7-179.6-114.1-177.9-179.792.32.3114.5Q410R408-Q410 PolarHBondContact O-N 2.77Å
409S33.7Very low34.8Very low93 Ų93155 Ų15565%0.6581%0.809SS**  trans-71.879170.855.60000113.6D407D407-S409 PolarHBondContact OD1-N 3.23Å; D407-S409 PolarHBondContact OD1-OG 2.97Å; D407-S409 VanDerWaalsContact OD1-OG 3.05Å; D407-S409 PolarHBondContact OD2-OG 3.35Å
410Q33.4Very low34.9Very low188 Ų188153.1 Ų153.188%0.87981%0.812SS**  trans-138142.6155.6-76.7-156.62.500112.6R408R408-Q410 PolarHBondContact O-N 2.77Å
411E33.3Very low35Very low195 Ų195150.2 Ų150.291%0.91181%0.806SS**  trans-70.5151-173.4-60.2177.1110.200112.6
412R33Very low34.9Very low240 Ų240154.7 Ų154.791%0.90680%0.803SS**  trans-133.695.3173.9-159-177.9-60.1166.33.7110.9
413L36.4Very low34.9Very low162 Ų162159.4 Ų159.485%0.84881%0.812SS**  trans-63130175.1-69.5169.9000110.9R415L413-R415 PolarHBondContact O-N 3.26Å
414P38.2Very low34.4Very low114 Ų114158.9 Ų158.974%0.7481%0.808SS**  trans-79.4108.4178.330.2-33000111.6
415R35.9Very low34.8Very low244 Ų244155.3 Ų155.392%0.92180%0.8SS**  trans-83.7128.9159-86.4-178.7161.4131-6.2109.4L413L413-R415 PolarHBondContact O-N 3.26Å
416F38.2Very low34.4Very low204 Ų204150.1 Ų150.190%0.89579%0.786SS**  trans-95.2157.1165.3-100-92.2000111.1
417M38.4Very low34.2Very low178 Ų178155.3 Ų155.388%0.87780%0.795SS**  trans-89-176.3-173-54.1-175.469.100111.7
418A34Very low33.8Very low96 Ų96160.2 Ų160.279%0.79380%0.804SS**  cis-153.7177.710.500000109.6
419G30.6Very low33.6Very low67 Ų67156 Ų15669%0.69180%0.802SS**  cis-126.2-153-4.300000111.4
420V33.5Very low34.1Very low142 Ų142157.5 Ų157.586%0.86181%0.81SS**  cis-138.2160.419.2176.80000111.1
421T35Very low34Very low107 Ų107152.8 Ų152.866%0.65680%0.804SS**  trans-60162.3172.846.30000115.1
422W33.3Very low34.1Very low226 Ų226147.8 Ų147.886%0.85680%0.795SS**  cis-161.8170.5-1.3-115.6127000108.5
423L31.1Very low34.8Very low161 Ų161141.8 Ų141.884%0.84379%0.788SS**  trans76.8145159.2-69.7158.3000119.8
424A27Very low34.6Very low86 Ų86140.9 Ų140.971%0.71178%0.783SS**  trans-136.6-173.917300000107.3
425P41.9Very low34.2Very low111 Ų111141 Ų14172%0.72178%0.778SS**  -158.5172.974.742.3-22.5000117.8
426S26.1Very low34.1Very low91 Ų91137.3 Ų137.364%0.63677%0.771SS**  trans69.5147.2152.3-67.90000118.7
427R30.4Very low33.7Very low210 Ų210133.1 Ų133.179%0.79277%0.767SS**  cis-164167-7.2-117.8168.7-149.3-108.49.7110.8
428R32Very low33.4Very low230 Ų230134.3 Ų134.387%0.86876%0.763SS**  trans69.3106.5158.4-68.6169.5-170.3-160.44.1118.9
429T31.1Very low33.7Very low130 Ų130138.8 Ų138.880%0.79877%0.765SS**  -65.3168.712739.50000110.1
430P43.1Very low33.8Very low125 Ų125141.1 Ų141.181%0.81277%0.765SS**  cis-120.1-162.416.345.2-29.5000111.9
431A30.6Very low33.7Very low90 Ų90142.4 Ų142.474%0.74476%0.762SS**  cis-1511656.500000112.3
432A36.3Very low33.9Very low89 Ų89143.4 Ų143.474%0.73677%0.773SS**  trans-87.4165152.300000108.1
433P48.2Very low34.2Very low115 Ų115138.5 Ų138.575%0.74777%0.77SS**  cis-152.4-153.94042.1-18.4000115.8
434L31.6Very low34.3Very low142 Ų142136.9 Ų136.974%0.74377%0.772SS**  trans90.189.5150.1-11865.2000119.7
435N31.1Very low34.6Very low118 Ų118137.1 Ų137.163%0.63177%0.774SS**  65132.6118.6-80.7-51.6000123.2
436Q31.9Very low34Very low165 Ų165137.8 Ų137.877%0.77178%0.78SS**  trans81.6108.3130.2-71.6166.838.200120.9
437S30.9Very low34.3Very low117 Ų117139.2 Ų139.282%0.81879%0.785SS**  64103.4116.1-177.30000119.5
438Y32.9Very low34.6Very low202 Ų202136.3 Ų136.379%0.79278%0.784SS**  trans-152.9133.3139.8-178.4-144.6000110V440Y438-V440 HydrophobicContact CD1-CG2 3.58Å; Y438-V440 HydrophobicContact CE1-CG2 3.35Å; Y438-V440 HydrophobicContact CG-CG2 4.32Å
439K38.6Very low34.7Very low191 Ų191135.8 Ų135.883%0.8378%0.782SS**  trans-79.2136164.9-93.5-174170.6-172.60108.3
440V32.9Very low35.6Very low115 Ų115134.7 Ų134.770%0.69778%0.777SS**  trans-127.1133.8160.1-170.20000108.7Y438Y438-V440 HydrophobicContact CD1-CG2 3.58Å; Y438-V440 HydrophobicContact CE1-CG2 3.35Å; Y438-V440 HydrophobicContact CG-CG2 4.32Å
441E32.8Very low35Very low170 Ų170140.8 Ų140.879%0.79478%0.784SS**  trans-81.5157.7176.5-66.9156123.400110.6P443E441-P443 WeakPolarHBondContact O-CD 3.28Å
442S37.5Very low35Very low127 Ų127139.2 Ų139.289%0.88878%0.776SS**  trans-76.2127.2169.9-55.30000110.7
443P40.7Very low34.8Very low123 Ų123141.8 Ų141.880%0.79978%0.783SS**  trans-131.6143.3141.337.5-29.3000112.9E441E441-P443 WeakPolarHBondContact O-CD 3.28Å
444S33.4Very low34.7Very low127 Ų127142.7 Ų142.789%0.88879%0.789SS**  trans-97.2126.6172.1-61.10000111
445A32.3Very low34.8Very low91 Ų91142.7 Ų142.775%0.75279%0.79SS**  trans-178.9109.1144.200000114.5
446C30.3Very low34.8Very low125 Ų125146 Ų14685%0.84580%0.801SS**  trans48158134.6-56.40000125.1
447V31.8Very low34.9Very low122 Ų122142.9 Ų142.974%0.73980%0.798SS**  trans106.799.6148-170.10000120.3
448L36.3Very low35.7Very low149 Ų149142.4 Ų142.478%0.7879%0.792SS**  trans65.1164147.8-58174.2000118.8
449R34.5Very low35.6Very low218 Ų218139 Ų13982%0.82379%0.792SS**  cis-164-168.8-1.4-127.5177177.1-175.20.9108.3
450P49.6Very low36.3Very low107 Ų107134.9 Ų134.970%0.69579%0.785SS**  cis-135.9154.1-22.335.5-17.3000117.6
451R30.5Very low36.2Very low254 Ų254135.5 Ų135.596%0.95878%0.784SS**  trans-174.7161.3138.6-106.3178.4-178-145-1.3110.2
452G30.2Very low36.2Very low56 Ų56133.9 Ų133.958%0.57778%0.781SS**  cis148.989.6-18.400000116.4
453T32.8Very low36Very low144 Ų144132.1 Ų132.188%0.88377%0.769SS**  trans62.9151.2165.246.70000118
454P45.8Very low36.1Very low133 Ų133135 Ų13586%0.86477%0.769SS**  cis-114.7-173.420.842.7-32.2000116.2
455D33.3Very low36.5Very low143 Ų143138.2 Ų138.277%0.76577%0.767SS**  trans-113.8147.1-175.8179.923.7000110.3
456E31.2Very low37.1Very low186 Ų186140.3 Ų140.387%0.86977%0.77SS**  trans-177.7162.2134.3-90.5-135.7116.500110.3
457S34.1Very low38.1Very low100 Ų100139.6 Ų139.670%0.69976%0.764SS**  trans-122.7-176.5-173.376.90000110.8
458P47.7Very low38.8Very low108 Ų108140.2 Ų140.270%0.70177%0.768SS**  cis-133.3-179.4-5.929.2-6000115.5
459V30.9Very low39.4Very low131 Ų131139 Ų13979%0.79477%0.767SS**  trans-37.4158.3152.4-106.40000114
460P53.5Low40.1Very low103 Ų103136.5 Ų136.567%0.66977%0.769SS**  cis-152.518042.745.1-24.6000120.5
461N30.5Very low40Very low128 Ų128141.4 Ų141.468%0.68477%0.773SS**  trans85.4102.3145.2-70.6-23.2000122.6
462N32.5Very low41.1Very low136 Ų136134.4 Ų134.473%0.72776%0.755SS**  86.4123.8117.5-65.4-24.2000123.2
463S35.2Very low42.1Very low91 Ų91135 Ų13564%0.63676%0.755SS**  trans98.5137.4141.585.40000119
464K41.3Very low43Very low183 Ų183132.2 Ų132.280%0.79674%0.737SS**  trans69116.4165.1-56151.2-173.4168.50113.2
465K42.2Very low43.3Very low195 Ų195131 Ų13185%0.84872%0.72SS**  49120.560.8-52.8-177.2179.9-1790109.8
466T45.4Very low44.3Very low134 Ų134130.2 Ų130.282%0.82272%0.715SS**  cis-148.5-154.131.7-280000110.6
467P50.3Low45.2Very low111 Ų111127.1 Ų127.172%0.72170%0.701SS**  trans-117.4149.4-133.639.7-22.4000117.3
468V46.1Very low46.3Very low135 Ų135126.5 Ų126.582%0.81869%0.693SS**  trans-133.55.6170.5-163.70000113.1
469V50.6Low46.8Very low124 Ų124126.2 Ų126.275%0.75268%0.68SS**  trans-88-22-165.8-177.60000114.7R471V469-R471 VanDerWaalsContact C-N 3.28Å; V469-R471 PolarHBondContact O-N 3.29Å; V469-R471 VanDerWaalsContact O-N 3.08Å
470L48Very low48.1Very low165 Ų165123.4 Ų123.486%0.86467%0.667SS**THydrogen-bonded Turntrans-80.815.9-166.4-146.282.6000116.5
471R48.5Very low48.8Very low210 Ų210123.3 Ų123.379%0.79266%0.657SS**THydrogen-bonded Turntrans-101.3-29.7172.4-90.2-171.5167.9115.90.6114.2V469 T474V469-R471 VanDerWaalsContact C-N 3.28Å; V469-R471 PolarHBondContact O-N 3.29Å; V469-R471 VanDerWaalsContact O-N 3.08Å; R471-T474 PolarHBondContact O-OG1 2.94Å
472N52.9Low50.8Low106 Ų106121.4 Ų121.457%0.56764%0.644SS**Hα-helixtrans-84.5-22.4-165.9-59.112.6000112.9L476N472-L476 PolarHBondContact O-N 3.36Å
473A50.3Low52.8Low70 Ų70119 Ų11958%0.57964%0.635SS**Hα-helixtrans-71.2-48.1179.500000112.3E475 L476 Q477A473-E475 VanDerWaalsContact C-N 3.31Å; A473-E475 PolarHBondContact O-N 3.47Å; A473-L476 PolarHBondContact O-N 3.33Å; A473-Q477 PolarHBondContact O-N 3.14Å; A473-Q477 VanDerWaalsContact O-N 3.12Å
474T52.7Low55.1Low84 Ų84121 Ų12152%0.51563%0.634SS.*Hα-helixtrans-63.5-36.3175.1280000112.1R471 L476 Q477 V478R471-T474 PolarHBondContact O-OG1 2.94Å; T474-L476 VanDerWaalsContact C-N 3.31Å; T474-L476 PolarHBondContact O-N 3.05Å; T474-Q477 PolarHBondContact O-N 3.09Å; T474-V478 WeakPolarHBondContact O-CB 3.19Å; T474-V478 WeakPolarHBondContact O-CG2 3.38Å; T474-V478 PolarHBondContact O-N 3.43Å
475E51.3Low57.1Low107 Ų107121 Ų12150%0.563%0.629SS.*Hα-helixtrans-68-29.4178-148.9-166.3142.300113.1A473 K479A473-E475 VanDerWaalsContact C-N 3.31Å; A473-E475 PolarHBondContact O-N 3.47Å; E475-K479 WeakPolarHBondContact O-CB 3.3Å; E475-K479 VanDerWaalsContact O-CD 3.28Å; E475-K479 WeakPolarHBondContact O-CD 3.47Å; E475-K479 WeakPolarHBondContact O-CG 3.18Å; E475-K479 PolarHBondContact O-N 3.07Å; E475-K479 WeakPolarHBondContact OE1-CE 3.34Å; E475-K479 IonicContact OE1-NZ 2.59Å; E475-K479 PolarHBondContact OE1-NZ 2.95Å
476L54.2Low59Low128 Ų128117.5 Ų117.567%0.6761%0.61SS**Hα-helixtrans-75.2-40.8172.6-94.4156.8000112.3N472 A473 T474 K479 S480N472-L476 PolarHBondContact O-N 3.36Å; A473-L476 PolarHBondContact O-N 3.33Å; T474-L476 VanDerWaalsContact C-N 3.31Å; T474-L476 PolarHBondContact O-N 3.05Å; L476-K479 PolarHBondContact O-N 3.09Å; L476-S480 PolarHBondContact O-N 3.39Å; L476-S480 VanDerWaalsContact O-N 3.09Å
477Q51.4Low60.9Low120 Ų120113.1 Ų113.156%0.56159%0.588SS**Hα-helixtrans-65.4-47.7178.8-170.6169.4-5.600111.7A473 T474 K479 S480 E481A473-Q477 PolarHBondContact O-N 3.14Å; A473-Q477 VanDerWaalsContact O-N 3.12Å; T474-Q477 PolarHBondContact O-N 3.09Å; Q477-K479 VanDerWaalsContact C-N 3.29Å; Q477-K479 PolarHBondContact O-N 3.41Å; Q477-S480 WeakPolarHBondContact O-CB 3.42Å; Q477-S480 PolarHBondContact O-N 3.48Å; Q477-S480 VanDerWaalsContact O-N 3.09Å; Q477-E481 PolarHBondContact O-N 2.87Å
478V57.6Low62.8Low88 Ų88112.9 Ų112.953%0.53358%0.577SS.*Hα-helixtrans-60.3-37.2175.7171.20000111.8T474 E481 E482T474-V478 WeakPolarHBondContact O-CB 3.19Å; T474-V478 WeakPolarHBondContact O-CG2 3.38Å; T474-V478 PolarHBondContact O-N 3.43Å; V478-E481 PolarHBondContact O-N 2.87Å; V478-E482 VanDerWaalsContact O-CB 3.3Å; V478-E482 WeakPolarHBondContact O-CB 3.36Å; V478-E482 PolarHBondContact O-N 2.98Å
479K56.4Low65Low101 Ų101108 Ų10844%0.43955%0.552SS.*Hα-helixtrans-66.8-36.5175.3-76.4169.5-169.3168.70112.6E475 L476 Q477 E482 T483E475-K479 WeakPolarHBondContact O-CB 3.3Å; E475-K479 VanDerWaalsContact O-CD 3.28Å; E475-K479 WeakPolarHBondContact O-CD 3.47Å; E475-K479 WeakPolarHBondContact O-CG 3.18Å; E475-K479 PolarHBondContact O-N 3.07Å; E475-K479 WeakPolarHBondContact OE1-CE 3.34Å; E475-K479 IonicContact OE1-NZ 2.59Å; E475-K479 PolarHBondContact OE1-NZ 2.95Å; L476-K479 PolarHBondContact O-N 3.09Å; Q477-K479 VanDerWaalsContact C-N 3.29Å; Q477-K479 PolarHBondContact O-N 3.41Å; K479-E482 PolarHBondContact O-N 3.35Å; K479-T483 WeakPolarHBondContact O-CG2 3.26Å; K479-T483 PolarHBondContact O-N 3.19Å; K479-T483 PolarHBondContact O-OG1 3.32Å
480S58.5Low67Low72 Ų72107.4 Ų107.450%0.50354%0.543SS..Hα-helixtrans-62.3-50.4173.6-166.70000110.8L476 Q477 E482 T483 Q484L476-S480 PolarHBondContact O-N 3.39Å; L476-S480 VanDerWaalsContact O-N 3.09Å; Q477-S480 WeakPolarHBondContact O-CB 3.42Å; Q477-S480 PolarHBondContact O-N 3.48Å; Q477-S480 VanDerWaalsContact O-N 3.09Å; S480-E482 VanDerWaalsContact C-N 3.33Å; S480-E482 PolarHBondContact O-N 3.36Å; S480-T483 PolarHBondContact O-N 3.04Å; S480-T483 PolarHBondContact O-OG1 3.07Å; S480-Q484 PolarHBondContact O-N 3.24Å
481E69Low69.1Low102 Ų102105.1 Ų105.148%0.47753%0.528SS..Hα-helixtrans-59.6-41.4177.3-68.7166.7-168.100111.7Q477 V478 Q484 W485Q477-E481 PolarHBondContact O-N 2.87Å; V478-E481 PolarHBondContact O-N 2.87Å; E481-Q484 PolarHBondContact O-N 3.05Å; E481-W485 WeakPolarHBondContact O-CB 3.36Å; E481-W485 PolarHBondContact O-N 3.12Å
482E71.9Confident71.2Confident88 Ų8897.7 Ų97.741%0.41150%0.504SS..Hα-helixtrans-67.7-35.6176.9-158-163.4-160.400112.5V478 K479 S480 R486V478-E482 VanDerWaalsContact O-CB 3.3Å; V478-E482 WeakPolarHBondContact O-CB 3.36Å; V478-E482 PolarHBondContact O-N 2.98Å; K479-E482 PolarHBondContact O-N 3.35Å; S480-E482 VanDerWaalsContact C-N 3.33Å; S480-E482 PolarHBondContact O-N 3.36Å; E482-R486 WeakPolarHBondContact O-CG 3.47Å; E482-R486 PolarHBondContact O-N 3.27Å; E482-R486 IonicContact OE1-CZ 2.7Å; E482-R486 IonicContact OE1-NH1 2.95Å; E482-R486 IonicContact OE1-NH2 2.71Å; E482-R486 PolarHBondContact OE1-NH2 3.14Å; E482-R486 IonicContact OE2-CZ 3.8Å; E482-R486 IonicContact OE2-NH1 3.91Å; E482-R486 PolarHBondContact OE2-NH1 3Å; E482-R486 IonicContact OE2-NH2 3.36Å; E482-R486 PolarHBondContact OE2-NH2 3.03Å
483T75.5Confident73.1Confident85 Ų8598 Ų9852%0.52150%0.503SS..Hα-helixtrans-69.1-37171.854.90000112.6K479 S480 R486 A487K479-T483 WeakPolarHBondContact O-CG2 3.26Å; K479-T483 PolarHBondContact O-N 3.19Å; K479-T483 PolarHBondContact O-OG1 3.32Å; S480-T483 PolarHBondContact O-N 3.04Å; S480-T483 PolarHBondContact O-OG1 3.07Å; T483-R486 PolarHBondContact O-N 3.42Å; T483-A487 PolarHBondContact O-N 3.22Å
484Q82.4Confident75Confident133 Ų133100 Ų10062%0.62150%0.501SS*.Hα-helixtrans-67.3-41.9176.3-170.6172.45.500111.3S480 E481 R486 A487 Q488S480-Q484 PolarHBondContact O-N 3.24Å; E481-Q484 PolarHBondContact O-N 3.05Å; Q484-R486 VanDerWaalsContact C-N 3.35Å; Q484-R486 PolarHBondContact O-N 2.93Å; Q484-A487 PolarHBondContact O-N 3.33Å; Q484-Q488 WeakPolarHBondContact O-CB 3.45Å; Q484-Q488 PolarHBondContact O-N 3.49Å
485W84.5Confident77Confident182 Ų182101.6 Ų101.669%0.68950%0.498SS*.Hα-helixtrans-63.4-38.4173.8-169.783.9000112.3E481 Q488 A489E481-W485 WeakPolarHBondContact O-CB 3.36Å; E481-W485 PolarHBondContact O-N 3.12Å; W485-Q488 PolarHBondContact O-N 2.87Å; W485-A489 VanDerWaalsContact O-CB 3.26Å; W485-A489 WeakPolarHBondContact O-CB 3.32Å; W485-A489 PolarHBondContact O-N 2.82Å
486R81.6Confident79.1Confident122 Ų122104.1 Ų104.146%0.4650%0.502SS..Hα-helixtrans-65.3-39.1173.2-76.8-178.6-177.81109.6113E482 T483 Q484 L490E482-R486 WeakPolarHBondContact O-CG 3.47Å; E482-R486 PolarHBondContact O-N 3.27Å; E482-R486 IonicContact OE1-CZ 2.7Å; E482-R486 IonicContact OE1-NH1 2.95Å; E482-R486 IonicContact OE1-NH2 2.71Å; E482-R486 PolarHBondContact OE1-NH2 3.14Å; E482-R486 IonicContact OE2-CZ 3.8Å; E482-R486 IonicContact OE2-NH1 3.91Å; E482-R486 PolarHBondContact OE2-NH1 3Å; E482-R486 IonicContact OE2-NH2 3.36Å; E482-R486 PolarHBondContact OE2-NH2 3.03Å; T483-R486 PolarHBondContact O-N 3.42Å; Q484-R486 VanDerWaalsContact C-N 3.35Å; Q484-R486 PolarHBondContact O-N 2.93Å; R486-L490 WeakPolarHBondContact O-CG 3.3Å; R486-L490 PolarHBondContact O-N 3.28Å; R486-L490 VanDerWaalsContact O-N 3.14Å
487A86.2Confident81Confident43 Ų43103.5 Ų103.536%0.35550%0.499SS..Hα-helixtrans-63.5-50.3174.200000110.9T483 Q484 A489 L490 E491T483-A487 PolarHBondContact O-N 3.22Å; Q484-A487 PolarHBondContact O-N 3.33Å; A487-A489 VanDerWaalsContact C-N 3.32Å; A487-A489 PolarHBondContact O-N 3.17Å; A487-L490 WeakPolarHBondContact O-CB 3.33Å; A487-L490 PolarHBondContact O-N 2.99Å; A487-E491 WeakPolarHBondContact O-CG 3.47Å; A487-E491 PolarHBondContact O-N 2.98Å
488Q89.4Confident83.1Confident105 Ų105103 Ų10349%0.49150%0.497SS..Hα-helixtrans-61-37.9178-170.8174.22.600112.7Q484 W485 L490 E491 D492Q484-Q488 WeakPolarHBondContact O-CB 3.45Å; Q484-Q488 PolarHBondContact O-N 3.49Å; W485-Q488 PolarHBondContact O-N 2.87Å; Q488-L490 VanDerWaalsContact C-N 3.33Å; Q488-L490 PolarHBondContact O-N 2.78Å; Q488-E491 PolarHBondContact O-N 2.67Å; Q488-D492 WeakPolarHBondContact O-CB 3.22Å; Q488-D492 PolarHBondContact O-N 3.45Å
489A91.8Very high84.9Confident34 Ų34103.7 Ų103.728%0.28150%0.495SS..Hα-helixtrans-67-31.3175.400000113.2W485 A487 M493W485-A489 VanDerWaalsContact O-CB 3.26Å; W485-A489 WeakPolarHBondContact O-CB 3.32Å; W485-A489 PolarHBondContact O-N 2.82Å; A487-A489 VanDerWaalsContact C-N 3.32Å; A487-A489 PolarHBondContact O-N 3.17Å; A489-M493 WeakPolarHBondContact O-CB 3.32Å; A489-M493 WeakPolarHBondContact O-CG 3.4Å; A489-M493 PolarHBondContact O-N 2.78Å; A489-M493 VanDerWaalsContact O-N 3.09Å
490L92.4Very high86.6Confident110 Ų110105 Ų10558%0.57650%0.502SS*.Hα-helixtrans-72.2-43.6172.1-72.7167.5000111.3R486 A487 Q488 D492 M493 Q494R486-L490 WeakPolarHBondContact O-CG 3.3Å; R486-L490 PolarHBondContact O-N 3.28Å; R486-L490 VanDerWaalsContact O-N 3.14Å; A487-L490 WeakPolarHBondContact O-CB 3.33Å; A487-L490 PolarHBondContact O-N 2.99Å; Q488-L490 VanDerWaalsContact C-N 3.33Å; Q488-L490 PolarHBondContact O-N 2.78Å; L490-D492 PolarHBondContact O-N 3.23Å; L490-M493 HydrophobicContact CD2-CE 3.86Å; L490-M493 PolarHBondContact O-N 3.02Å; L490-Q494 PolarHBondContact O-N 3.11Å
491E92.4Very high88.4Confident117 Ų117106.8 Ų106.855%0.54750%0.502SS..Hα-helixtrans-60.2-43.3175-71.1172.8-162.100111.8A487 Q488 Q494 R495A487-E491 WeakPolarHBondContact O-CG 3.47Å; A487-E491 PolarHBondContact O-N 2.98Å; Q488-E491 PolarHBondContact O-N 2.67Å; E491-Q494 PolarHBondContact O-N 3.3Å; E491-R495 WeakPolarHBondContact O-CB 3.15Å; E491-R495 PolarHBondContact O-N 2.96Å
492D93.6Very high89.6Confident55 Ų55104.1 Ų104.129%0.29450%0.498SS..Hα-helixtrans-73.6-26.8177.2-80.4-17.5000113.3Q488 L490 R495 R496Q488-D492 WeakPolarHBondContact O-CB 3.22Å; Q488-D492 PolarHBondContact O-N 3.45Å; L490-D492 PolarHBondContact O-N 3.23Å; D492-R495 IonicContact OD1-CZ 3.51Å; D492-R495 IonicContact OD1-NE 2.81Å; D492-R495 PolarHBondContact OD1-NE 2.82Å; D492-R495 IonicContact OD1-NH2 2.66Å; D492-R495 PolarHBondContact OD1-NH2 3.06Å; D492-R496 WeakPolarHBondContact O-CB 3.31Å; D492-R496 VanDerWaalsContact O-CD 3.26Å; D492-R496 WeakPolarHBondContact O-CD 3.46Å; D492-R496 WeakPolarHBondContact O-CG 3.41Å; D492-R496 PolarHBondContact O-N 3.45Å; D492-R496 VanDerWaalsContact O-N 3.08Å
493M91.8Very high90.8Very high111 Ų111105 Ų10555%0.54751%0.505SS..Hα-helixtrans-70.4-40.5167.7-79.5-164.4-57.700111.9A489 L490 R496 L497A489-M493 WeakPolarHBondContact O-CB 3.32Å; A489-M493 WeakPolarHBondContact O-CG 3.4Å; A489-M493 PolarHBondContact O-N 2.78Å; A489-M493 VanDerWaalsContact O-N 3.09Å; L490-M493 HydrophobicContact CD2-CE 3.86Å; L490-M493 PolarHBondContact O-N 3.02Å; M493-R496 PolarHBondContact O-N 2.73Å; M493-L497 WeakPolarHBondContact O-CG 3.01Å; M493-L497 PolarHBondContact O-N 3.19Å; M493-L497 VanDerWaalsContact O-N 3.1Å
494Q89.9Confident91.7Very high114 Ų114107.5 Ų107.553%0.53351%0.511SS..Hα-helixtrans-62.8-47173.9179.8174.8-23.700110.7L490 E491 R496 L497 E498L490-Q494 PolarHBondContact O-N 3.11Å; E491-Q494 PolarHBondContact O-N 3.3Å; Q494-R496 VanDerWaalsContact C-N 3.32Å; Q494-R496 PolarHBondContact O-N 3.24Å; Q494-L497 PolarHBondContact O-N 3.31Å; Q494-L497 VanDerWaalsContact O-N 3.11Å; Q494-E498 HydrophobicContact CG-CG 4.41Å; Q494-E498 WeakPolarHBondContact CG-OE1 3.37Å; Q494-E498 PolarHBondContact NE2-OE1 2.97Å; Q494-E498 WeakPolarHBondContact O-CG 3.36Å; Q494-E498 PolarHBondContact O-N 2.89Å
495R95Very high92.1Very high116 Ų116105.6 Ų105.644%0.43850%0.503SS..Hα-helixtrans-52.9-47.5174.8-169.6-163-48-65.9-6.8111.7E491 D492 L497 E498 E499E491-R495 WeakPolarHBondContact O-CB 3.15Å; E491-R495 PolarHBondContact O-N 2.96Å; D492-R495 IonicContact OD1-CZ 3.51Å; D492-R495 IonicContact OD1-NE 2.81Å; D492-R495 PolarHBondContact OD1-NE 2.82Å; D492-R495 IonicContact OD1-NH2 2.66Å; D492-R495 PolarHBondContact OD1-NH2 3.06Å; R495-L497 PolarHBondContact O-N 3.42Å; R495-E498 PolarHBondContact O-N 2.77Å; R495-E499 WeakPolarHBondContact CD-OE1 3.18Å; R495-E499 WeakPolarHBondContact CG-OE1 3.36Å; R495-E499 WeakPolarHBondContact O-CB 3.34Å; R495-E499 VanDerWaalsContact O-CG 3.28Å; R495-E499 WeakPolarHBondContact O-CG 3.34Å; R495-E499 PolarHBondContact O-N 2.84Å
496R94.9Very high92.7Very high160 Ų16099.7 Ų99.760%0.60449%0.489SS*.Hα-helixtrans-62.5-39.1177.9-73.8163-173.9-85.7-1.7112.9D492 M493 Q494 E499 E500D492-R496 WeakPolarHBondContact O-CB 3.31Å; D492-R496 VanDerWaalsContact O-CD 3.26Å; D492-R496 WeakPolarHBondContact O-CD 3.46Å; D492-R496 WeakPolarHBondContact O-CG 3.41Å; D492-R496 PolarHBondContact O-N 3.45Å; D492-R496 VanDerWaalsContact O-N 3.08Å; M493-R496 PolarHBondContact O-N 2.73Å; Q494-R496 VanDerWaalsContact C-N 3.32Å; Q494-R496 PolarHBondContact O-N 3.24Å; R496-E499 PolarHBondContact O-N 3.34Å; R496-E500 WeakPolarHBondContact O-CB 3.32Å; R496-E500 WeakPolarHBondContact O-CG 3.44Å; R496-E500 PolarHBondContact O-N 3.27Å
497L95.8Very high93.4Very high115 Ų11599.5 Ų99.560%0.60250%0.496SS*.Hα-helixtrans-69.9-35.9176-71168.6000112.1M493 Q494 R495 H501M493-L497 WeakPolarHBondContact O-CG 3.01Å; M493-L497 PolarHBondContact O-N 3.19Å; M493-L497 VanDerWaalsContact O-N 3.1Å; Q494-L497 PolarHBondContact O-N 3.31Å; Q494-L497 VanDerWaalsContact O-N 3.11Å; R495-L497 PolarHBondContact O-N 3.42Å; L497-H501 VanDerWaalsContact O-CB 3.31Å; L497-H501 WeakPolarHBondContact O-CB 3.33Å; L497-H501 PolarHBondContact O-N 3.03Å
498E94.5Very high93.8Very high111 Ų111102.7 Ų102.752%0.51951%0.507SS..Hα-helixtrans-68-39.3172.8-71.4174.4-173.100111.6Q494 R495 H501 A502Q494-E498 HydrophobicContact CG-CG 4.41Å; Q494-E498 WeakPolarHBondContact CG-OE1 3.37Å; Q494-E498 PolarHBondContact NE2-OE1 2.97Å; Q494-E498 WeakPolarHBondContact O-CG 3.36Å; Q494-E498 PolarHBondContact O-N 2.89Å; R495-E498 PolarHBondContact O-N 2.77Å; E498-H501 PolarHBondContact O-N 3.25Å; E498-A502 VanDerWaalsContact O-CB 3.25Å; E498-A502 WeakPolarHBondContact O-CB 3.48Å; E498-A502 PolarHBondContact O-N 2.89Å
499E95.6Very high94.1Very high102 Ų102102.5 Ų102.548%0.47751%0.509SS..Hα-helixtrans-64.2-47172.1-75.1167.9-174.800111.9R495 R496 H501 A502 L503R495-E499 WeakPolarHBondContact CD-OE1 3.18Å; R495-E499 WeakPolarHBondContact CG-OE1 3.36Å; R495-E499 WeakPolarHBondContact O-CB 3.34Å; R495-E499 VanDerWaalsContact O-CG 3.28Å; R495-E499 WeakPolarHBondContact O-CG 3.34Å; R495-E499 PolarHBondContact O-N 2.84Å; R496-E499 PolarHBondContact O-N 3.34Å; E499-H501 VanDerWaalsContact C-N 3.34Å; E499-H501 PolarHBondContact O-N 3.2Å; E499-A502 PolarHBondContact O-N 3.32Å; E499-L503 WeakPolarHBondContact O-CB 3.3Å; E499-L503 VanDerWaalsContact O-CG 3.28Å; E499-L503 WeakPolarHBondContact O-CG 3.46Å; E499-L503 PolarHBondContact O-N 3.31Å
500E93Very high94.2Very high128 Ų128102.5 Ų102.560%0.59851%0.508SS*.Hα-helixtrans-60.6-42175-78.5-178.1178.800111.7R496 L503 Q504R496-E500 WeakPolarHBondContact O-CB 3.32Å; R496-E500 WeakPolarHBondContact O-CG 3.44Å; R496-E500 PolarHBondContact O-N 3.27Å; E500-L503 PolarHBondContact O-N 2.65Å; E500-Q504 PolarHBondContact O-N 3.37Å
501H94.3Very high94.2Very high109 Ų109103.3 Ų103.351%0.50551%0.509SS..Hα-helixtrans-68.1-39.3175.8-172.6-112.9000112.1L497 E498 E499 Q504 M505L497-H501 VanDerWaalsContact O-CB 3.31Å; L497-H501 WeakPolarHBondContact O-CB 3.33Å; L497-H501 PolarHBondContact O-N 3.03Å; E498-H501 PolarHBondContact O-N 3.25Å; E499-H501 VanDerWaalsContact C-N 3.34Å; E499-H501 PolarHBondContact O-N 3.2Å; H501-Q504 PolarHBondContact O-N 2.91Å; H501-M505 WeakPolarHBondContact O-CG 3.45Å; H501-M505 PolarHBondContact O-N 2.95Å
502A95.1Very high94.3Very high47 Ų47102.4 Ų102.439%0.38851%0.505SS..Hα-helixtrans-65.8-35.6173.700000112.5E498 E499 S506E498-A502 VanDerWaalsContact O-CB 3.25Å; E498-A502 WeakPolarHBondContact O-CB 3.48Å; E498-A502 PolarHBondContact O-N 2.89Å; E499-A502 PolarHBondContact O-N 3.32Å; A502-S506 VanDerWaalsContact O-CB 3.31Å; A502-S506 WeakPolarHBondContact O-CB 3.44Å; A502-S506 PolarHBondContact O-N 3.35Å; A502-S506 PolarHBondContact O-OG 3.33Å
503L96.1Very high94.2Very high106 Ų106104.8 Ų104.856%0.55552%0.515SS*.Hα-helixtrans-65.6-43.7171-73.5169.1000111.1E499 E500 M505 S506 I507E499-L503 WeakPolarHBondContact O-CB 3.3Å; E499-L503 VanDerWaalsContact O-CG 3.28Å; E499-L503 WeakPolarHBondContact O-CG 3.46Å; E499-L503 PolarHBondContact O-N 3.31Å; E500-L503 PolarHBondContact O-N 2.65Å; L503-M505 PolarHBondContact O-N 2.83Å; L503-S506 WeakPolarHBondContact CA-OG 3.45Å; L503-S506 PolarHBondContact O-N 3.11Å; L503-S506 PolarHBondContact O-OG 2.89Å; L503-S506 VanDerWaalsContact O-OG 3.07Å; L503-I507 VanDerWaalsContact O-CG1 3.26Å; L503-I507 WeakPolarHBondContact O-CG1 3.48Å; L503-I507 PolarHBondContact O-N 3.08Å
504Q94.5Very high94.3Very high138 Ų138106 Ų10665%0.64552%0.517SS*.Hα-helixtrans-64-41.3176-170.4174.43.700112.3E500 H501 L508E500-Q504 PolarHBondContact O-N 3.37Å; H501-Q504 PolarHBondContact O-N 2.91Å; Q504-L508 PolarHBondContact O-N 3.35Å
505M92.6Very high94.2Very high92 Ų92106.4 Ų106.445%0.45352%0.518SS..Hα-helixtrans-66.1-43.2174.3-71.8-168.3-59.700112.4H501 L503 L508 L509H501-M505 WeakPolarHBondContact O-CG 3.45Å; H501-M505 PolarHBondContact O-N 2.95Å; L503-M505 PolarHBondContact O-N 2.83Å; M505-L508 PolarHBondContact O-N 3.5Å; M505-L509 WeakPolarHBondContact O-CB 3.49Å; M505-L509 WeakPolarHBondContact O-CG 3.31Å; M505-L509 PolarHBondContact O-N 3.27Å
506S95.4Very high93.8Very high59 Ų59106.4 Ų106.441%0.41352%0.524SS..Hα-helixtrans-69.4-33.3-179.457.20000112.9A502 L503 A510A502-S506 VanDerWaalsContact O-CB 3.31Å; A502-S506 WeakPolarHBondContact O-CB 3.44Å; A502-S506 PolarHBondContact O-N 3.35Å; A502-S506 PolarHBondContact O-OG 3.33Å; L503-S506 WeakPolarHBondContact CA-OG 3.45Å; L503-S506 PolarHBondContact O-N 3.11Å; L503-S506 PolarHBondContact O-OG 2.89Å; L503-S506 VanDerWaalsContact O-OG 3.07Å; S506-A510 VanDerWaalsContact O-CB 3.22Å; S506-A510 WeakPolarHBondContact O-CB 3.5Å; S506-A510 PolarHBondContact O-N 3.41Å
507I96.6Very high93.6Very high118 Ų118103.4 Ų103.461%0.60552%0.516SS*.Hα-helixtrans-60.1-47.2169.2-70.6165.3000110.7L503 A510 E511L503-I507 VanDerWaalsContact O-CG1 3.26Å; L503-I507 WeakPolarHBondContact O-CG1 3.48Å; L503-I507 PolarHBondContact O-N 3.08Å; I507-A510 PolarHBondContact O-N 3.08Å; I507-E511 WeakPolarHBondContact O-CB 3.37Å; I507-E511 PolarHBondContact O-N 3.36Å
508L96Very high93.5Very high109 Ų109106.1 Ų106.157%0.57152%0.519SS*.Hα-helixtrans-67.5-39-179.5-174.8148.3000112.3Q504 M505 E511 Q512Q504-L508 PolarHBondContact O-N 3.35Å; M505-L508 PolarHBondContact O-N 3.5Å; L508-E511 PolarHBondContact O-N 2.87Å; L508-Q512 WeakPolarHBondContact O-CB 3.46Å; L508-Q512 PolarHBondContact O-N 3.28Å
509L94.5Very high93.3Very high102 Ų102105.9 Ų105.953%0.53452%0.52SS..Hα-helixtrans-65.8-41.6173.8-72.1169.1000111.6M505 E511 Q512 E513M505-L509 WeakPolarHBondContact O-CB 3.49Å; M505-L509 WeakPolarHBondContact O-CG 3.31Å; M505-L509 PolarHBondContact O-N 3.27Å; L509-E511 VanDerWaalsContact C-N 3.31Å; L509-E511 PolarHBondContact O-N 3.1Å; L509-Q512 PolarHBondContact O-N 2.93Å; L509-E513 WeakPolarHBondContact O-CB 3.39Å; L509-E513 PolarHBondContact O-N 3.46Å
510A94.1Very high92.9Very high33 Ų33107.1 Ų107.127%0.27353%0.526SS..Hα-helixtrans-70.7-24.3176.100000113.1S506 I507 K514S506-A510 VanDerWaalsContact O-CB 3.22Å; S506-A510 WeakPolarHBondContact O-CB 3.5Å; S506-A510 PolarHBondContact O-N 3.41Å; I507-A510 PolarHBondContact O-N 3.08Å; A510-K514 WeakPolarHBondContact O-CD 3.46Å; A510-K514 WeakPolarHBondContact O-CE 3.48Å; A510-K514 WeakPolarHBondContact O-CG 3.29Å; A510-K514 PolarHBondContact O-N 3.09Å
511E93.6Very high92.9Very high128 Ų128105.8 Ų105.860%0.59852%0.522SS*.Hα-helixtrans-72.6-47168.6-174.8165.7-14100110.7I507 L508 L509 E513 K514 E515I507-E511 WeakPolarHBondContact O-CB 3.37Å; I507-E511 PolarHBondContact O-N 3.36Å; L508-E511 PolarHBondContact O-N 2.87Å; L509-E511 VanDerWaalsContact C-N 3.31Å; L509-E511 PolarHBondContact O-N 3.1Å; E511-E513 VanDerWaalsContact C-N 3.33Å; E511-E513 PolarHBondContact O-N 3.47Å; E511-K514 PolarHBondContact O-N 3.38Å; E511-E515 PolarHBondContact O-N 2.83Å
512Q93.6Very high92.9Very high97 Ų97105.6 Ų105.645%0.45352%0.522SS..Hα-helixtrans-60-40.4175-171.3-178.316.400112.4L508 L509 E515 Q516L508-Q512 WeakPolarHBondContact O-CB 3.46Å; L508-Q512 PolarHBondContact O-N 3.28Å; L509-Q512 PolarHBondContact O-N 2.93Å; Q512-E515 PolarHBondContact O-N 3.48Å; Q512-Q516 WeakPolarHBondContact O-CG 3.45Å; Q512-Q516 PolarHBondContact O-N 3.06Å
513E91.7Very high92.8Very high106 Ų106109 Ų10950%0.49553%0.533SS..Hα-helixtrans-63.6-43.3175.9-164.2-165.3162.200111.1L509 E511 E515 Q516 Q517L509-E513 WeakPolarHBondContact O-CB 3.39Å; L509-E513 PolarHBondContact O-N 3.46Å; E511-E513 VanDerWaalsContact C-N 3.33Å; E511-E513 PolarHBondContact O-N 3.47Å; E513-E515 VanDerWaalsContact C-N 3.3Å; E513-E515 PolarHBondContact O-N 3.34Å; E513-Q516 PolarHBondContact O-N 2.83Å; E513-Q516 VanDerWaalsContact O-N 3.11Å; E513-Q517 HydrophobicContact CG-CG 4.45Å; E513-Q517 WeakPolarHBondContact O-CG 3.1Å; E513-Q517 PolarHBondContact O-N 3.21Å; E513-Q517 PolarHBondContact OE1-NE2 2.88Å
514K93.8Very high92.6Very high136 Ų136107.5 Ų107.559%0.59152%0.523SS*.Hα-helixtrans-62.8-35.4175.4-73.4163.2-166.6160.20112.3A510 E511 R518A510-K514 WeakPolarHBondContact O-CD 3.46Å; A510-K514 WeakPolarHBondContact O-CE 3.48Å; A510-K514 WeakPolarHBondContact O-CG 3.29Å; A510-K514 PolarHBondContact O-N 3.09Å; E511-K514 PolarHBondContact O-N 3.38Å; K514-R518 WeakPolarHBondContact O-CB 3.38Å; K514-R518 PolarHBondContact O-N 3.44Å
515E88.1Confident92.4Very high122 Ų122104.9 Ų104.957%0.5751%0.51SS*.Hα-helixtrans-65.9-41.5171.5-68.6-154.3133.100112.1E511 Q512 E513 R518 L519E511-E515 PolarHBondContact O-N 2.83Å; Q512-E515 PolarHBondContact O-N 3.48Å; E513-E515 VanDerWaalsContact C-N 3.3Å; E513-E515 PolarHBondContact O-N 3.34Å; E515-R518 PolarHBondContact O-N 3.02Å; E515-L519 WeakPolarHBondContact O-CG 3.33Å; E515-L519 PolarHBondContact O-N 3.31Å
516Q86.7Confident91.9Very high117 Ų117104 Ų10455%0.54751%0.511SS..Hα-helixtrans-64.7-46.2175.4-69.2-178.826.800112.3Q512 E513 R518 L519 H520Q512-Q516 WeakPolarHBondContact O-CG 3.45Å; Q512-Q516 PolarHBondContact O-N 3.06Å; E513-Q516 PolarHBondContact O-N 2.83Å; E513-Q516 VanDerWaalsContact O-N 3.11Å; Q516-R518 VanDerWaalsContact C-N 3.32Å; Q516-R518 PolarHBondContact O-N 3.43Å; Q516-L519 PolarHBondContact O-N 3.01Å; Q516-H520 PolarHBondContact O-N 3.27Å
517Q89.7Confident91.5Very high96 Ų96106 Ų10645%0.44951%0.513SS..Hα-helixtrans-60.4-41.4175.3-69.4177.2900111.3E513 H520 L521E513-Q517 HydrophobicContact CG-CG 4.45Å; E513-Q517 WeakPolarHBondContact O-CG 3.1Å; E513-Q517 PolarHBondContact O-N 3.21Å; E513-Q517 PolarHBondContact OE1-NE2 2.88Å; Q517-H520 PolarHBondContact O-N 2.92Å; Q517-L521 WeakPolarHBondContact O-CG 3.44Å; Q517-L521 PolarHBondContact O-N 2.95Å
518R94.6Very high90.9Very high173 Ų173106.1 Ų106.165%0.65351%0.506SS*.Hα-helixtrans-61.5-45.8174.7177.6-178.5173.4-177.8-0.8112.1K514 E515 Q516 H520 L521 E522K514-R518 WeakPolarHBondContact O-CB 3.38Å; K514-R518 PolarHBondContact O-N 3.44Å; E515-R518 PolarHBondContact O-N 3.02Å; Q516-R518 VanDerWaalsContact C-N 3.32Å; Q516-R518 PolarHBondContact O-N 3.43Å; R518-H520 VanDerWaalsContact C-N 3.3Å; R518-H520 PolarHBondContact O-N 3.43Å; R518-L521 PolarHBondContact O-N 2.87Å; R518-E522 WeakPolarHBondContact O-CB 3.47Å; R518-E522 PolarHBondContact O-N 3.36Å
519L90.7Very high90.3Very high105 Ų105108.2 Ų108.255%0.5551%0.506SS..Hα-helixtrans-64.2-36.1176.7-72169.8000111.7E515 Q516 E522 L523E515-L519 WeakPolarHBondContact O-CG 3.33Å; E515-L519 PolarHBondContact O-N 3.31Å; Q516-L519 PolarHBondContact O-N 3.01Å; L519-E522 PolarHBondContact O-N 3Å; L519-L523 WeakPolarHBondContact O-CB 3.5Å; L519-L523 VanDerWaalsContact O-CG 3.32Å; L519-L523 WeakPolarHBondContact O-CG 3.47Å; L519-L523 PolarHBondContact O-N 3.3Å
520H87.1Confident89.4Confident129 Ų129109.1 Ų109.160%0.59751%0.511SS*.Hα-helixtrans-64.9-44.6174.1-168.8-73.9000112Q516 Q517 R518 L523 E524Q516-H520 PolarHBondContact O-N 3.27Å; Q517-H520 PolarHBondContact O-N 2.92Å; R518-H520 VanDerWaalsContact C-N 3.3Å; R518-H520 PolarHBondContact O-N 3.43Å; H520-L523 PolarHBondContact O-N 3.22Å; H520-E524 WeakPolarHBondContact O-CB 3.44Å; H520-E524 PolarHBondContact O-N 3.48Å
521L92.9Very high88.8Confident99 Ų99113.1 Ų113.152%0.51852%0.523SS..Hα-helixtrans-65.8-36.8176-71.7168.1000112.3Q517 R518 E524 E525Q517-L521 WeakPolarHBondContact O-CG 3.44Å; Q517-L521 PolarHBondContact O-N 2.95Å; R518-L521 PolarHBondContact O-N 2.87Å; L521-E524 PolarHBondContact O-N 3.5Å; L521-E525 WeakPolarHBondContact O-CB 3.31Å; L521-E525 PolarHBondContact O-N 2.89Å
522E93.6Very high87.9Confident106 Ų106114 Ų11450%0.49552%0.524SS..Hα-helixtrans-64.2-44.1173.1-173.2170.6169.300111R518 L519 E525 T526R518-E522 WeakPolarHBondContact O-CB 3.47Å; R518-E522 PolarHBondContact O-N 3.36Å; L519-E522 PolarHBondContact O-N 3Å; E522-E525 PolarHBondContact O-N 3.39Å; E522-T526 WeakPolarHBondContact O-CG2 3.45Å; E522-T526 PolarHBondContact O-N 2.92Å; E522-T526 PolarHBondContact O-OG1 2.87Å
523L92.8Very high86.1Confident118 Ų118116.2 Ų116.262%0.61854%0.535SS*.Hα-helixtrans-60.7-49173.6-74.7170.2000111.8L519 H520 E525 T526 E527L519-L523 WeakPolarHBondContact O-CB 3.5Å; L519-L523 VanDerWaalsContact O-CG 3.32Å; L519-L523 WeakPolarHBondContact O-CG 3.47Å; L519-L523 PolarHBondContact O-N 3.3Å; H520-L523 PolarHBondContact O-N 3.22Å; L523-E525 VanDerWaalsContact C-N 3.29Å; L523-E525 PolarHBondContact O-N 3.26Å; L523-T526 WeakPolarHBondContact CA-OG1 3.35Å; L523-T526 CarbonylContact O-C 3.58Å; L523-T526 PolarHBondContact O-N 2.83Å; L523-T526 VanDerWaalsContact O-N 3.09Å; L523-T526 PolarHBondContact O-OG1 3.25Å; L523-E527 PolarHBondContact O-N 3.44Å
524E91.1Very high84.5Confident75 Ų75116.8 Ų116.835%0.3554%0.537SS..Hα-helixtrans-62-34.6177.2-164.5-149.3136.400112.2H520 L521 R528H520-E524 WeakPolarHBondContact O-CB 3.44Å; H520-E524 PolarHBondContact O-N 3.48Å; L521-E524 PolarHBondContact O-N 3.5Å; E524-R528 WeakPolarHBondContact O-CB 3.26Å; E524-R528 VanDerWaalsContact O-CG 3.28Å; E524-R528 WeakPolarHBondContact O-CG 3.16Å; E524-R528 PolarHBondContact O-N 3.32Å; E524-R528 PolarHBondContact O-NE 3.5Å; E524-R528 VanDerWaalsContact O-NE 3.11Å; E524-R528 IonicContact OE1-CZ 3.15Å; E524-R528 IonicContact OE1-NE 2.67Å; E524-R528 PolarHBondContact OE1-NE 3.48Å; E524-R528 VanDerWaalsContact OE1-NE 3.16Å; E524-R528 IonicContact OE1-NH1 2.76Å; E524-R528 IonicContact OE1-NH2 2.7Å
525E90.3Very high82.1Confident82 Ų82115.4 Ų115.438%0.38354%0.543SS..Hα-helixtrans-69.5-40.2172.3-154.4-164.5143.100111.8L521 E522 L523 R528 R529L521-E525 WeakPolarHBondContact O-CB 3.31Å; L521-E525 PolarHBondContact O-N 2.89Å; E522-E525 PolarHBondContact O-N 3.39Å; L523-E525 VanDerWaalsContact C-N 3.29Å; L523-E525 PolarHBondContact O-N 3.26Å; E525-R528 PolarHBondContact O-N 2.96Å; E525-R529 WeakPolarHBondContact O-CB 3.45Å; E525-R529 WeakPolarHBondContact O-CD 3.49Å; E525-R529 WeakPolarHBondContact O-CG 3.22Å; E525-R529 PolarHBondContact O-N 3.23Å; E525-R529 IonicContact OE1-CZ 2.7Å; E525-R529 IonicContact OE1-NE 2.69Å; E525-R529 PolarHBondContact OE1-NE 3.39Å; E525-R529 IonicContact OE1-NH2 2.88Å; E525-R529 PolarHBondContact OE1-NH2 3.49Å
526T82.4Confident80Confident75 Ų75116.6 Ų116.646%0.4655%0.549SS..Hα-helixtrans-65.4-36.9173.962.90000112.6E522 L523 R529 L530E522-T526 WeakPolarHBondContact O-CG2 3.45Å; E522-T526 PolarHBondContact O-N 2.92Å; E522-T526 PolarHBondContact O-OG1 2.87Å; L523-T526 WeakPolarHBondContact CA-OG1 3.35Å; L523-T526 CarbonylContact O-C 3.58Å; L523-T526 PolarHBondContact O-N 2.83Å; L523-T526 VanDerWaalsContact O-N 3.09Å; L523-T526 PolarHBondContact O-OG1 3.25Å; T526-R529 PolarHBondContact O-N 3.49Å; T526-L530 WeakPolarHBondContact O-CB 3.26Å; T526-L530 PolarHBondContact O-N 2.82Å
527E87Confident77.6Confident101 Ų101119.2 Ų119.247%0.47255%0.554SS.*Hα-helixtrans-64.8-48.2172.4-164.7-158.2141.700110.5L523 R529 L530 K531L523-E527 PolarHBondContact O-N 3.44Å; E527-R529 VanDerWaalsContact C-N 3.26Å; E527-R529 PolarHBondContact O-N 2.81Å; E527-L530 WeakPolarHBondContact O-CB 3.47Å; E527-L530 PolarHBondContact O-N 3.27Å; E527-L530 VanDerWaalsContact O-N 3.09Å; E527-K531 WeakPolarHBondContact O-CB 3.49Å; E527-K531 PolarHBondContact O-N 2.91Å; E527-K531 IonicContact OE1-NZ 3.16Å; E527-K531 PolarHBondContact OE1-NZ 2.84Å
528R85Confident75.1Confident120 Ų120120.2 Ų120.245%0.45357%0.568SS.*Hα-helixtrans-61.8-32.9177.2-73.2177.3-63.9163.9-3.3112.6E524 E525 K532E524-R528 WeakPolarHBondContact O-CB 3.26Å; E524-R528 VanDerWaalsContact O-CG 3.28Å; E524-R528 WeakPolarHBondContact O-CG 3.16Å; E524-R528 PolarHBondContact O-N 3.32Å; E524-R528 PolarHBondContact O-NE 3.5Å; E524-R528 VanDerWaalsContact O-NE 3.11Å; E524-R528 IonicContact OE1-CZ 3.15Å; E524-R528 IonicContact OE1-NE 2.67Å; E524-R528 PolarHBondContact OE1-NE 3.48Å; E524-R528 VanDerWaalsContact OE1-NE 3.16Å; E524-R528 IonicContact OE1-NH1 2.76Å; E524-R528 IonicContact OE1-NH2 2.7Å; E525-R528 PolarHBondContact O-N 2.96Å; R528-K532 WeakPolarHBondContact O-CB 3.43Å; R528-K532 VanDerWaalsContact O-CG 3.29Å; R528-K532 WeakPolarHBondContact O-CG 3.4Å; R528-K532 PolarHBondContact O-N 2.91Å
529R82.6Confident72.7Confident152 Ų152124.2 Ų124.257%0.57458%0.584SS**Hα-helixtrans-68.5-42.6171.8-74.1165.7176.1-101.75.4111.9E525 T526 E527 H533E525-R529 WeakPolarHBondContact O-CB 3.45Å; E525-R529 WeakPolarHBondContact O-CD 3.49Å; E525-R529 WeakPolarHBondContact O-CG 3.22Å; E525-R529 PolarHBondContact O-N 3.23Å; E525-R529 IonicContact OE1-CZ 2.7Å; E525-R529 IonicContact OE1-NE 2.69Å; E525-R529 PolarHBondContact OE1-NE 3.39Å; E525-R529 IonicContact OE1-NH2 2.88Å; E525-R529 PolarHBondContact OE1-NH2 3.49Å; T526-R529 PolarHBondContact O-N 3.49Å; E527-R529 VanDerWaalsContact C-N 3.26Å; E527-R529 PolarHBondContact O-N 2.81Å; R529-H533 PolarHBondContact O-N 2.84Å; R529-H533 VanDerWaalsContact O-N 3.14Å
530L76.4Confident70.1Confident122 Ų122124.5 Ų124.564%0.63960%0.595SS**Hα-helixtrans-60.6-48.1174.1-170.678.9000111.2T526 E527 K532 H533 E534T526-L530 WeakPolarHBondContact O-CB 3.26Å; T526-L530 PolarHBondContact O-N 2.82Å; E527-L530 WeakPolarHBondContact O-CB 3.47Å; E527-L530 PolarHBondContact O-N 3.27Å; E527-L530 VanDerWaalsContact O-N 3.09Å; L530-K532 PolarHBondContact O-N 2.9Å; L530-H533 CarbonylContact O-C 3.55Å; L530-H533 WeakPolarHBondContact O-CB 3.37Å; L530-H533 PolarHBondContact O-N 3.28Å; L530-H533 VanDerWaalsContact O-N 3.15Å; L530-E534 PolarHBondContact O-N 3.45Å
531K80.8Confident67.9Low117 Ų117121.4 Ų121.451%0.50960%0.598SS.*Hα-helixtrans-65.6-35.1-177.9-144.2168.7-151149.80112.5E527 E534 C535E527-K531 WeakPolarHBondContact O-CB 3.49Å; E527-K531 PolarHBondContact O-N 2.91Å; E527-K531 IonicContact OE1-NZ 3.16Å; E527-K531 PolarHBondContact OE1-NZ 2.84Å; K531-E534 PolarHBondContact O-N 2.86Å; K531-C535 PolarHBondContact O-N 2.9Å
532K74.2Confident65Low145 Ų145124.3 Ų124.363%0.6361%0.614SS**Hα-helixtrans-63.8-47.3169.4-77.2176.4177.8-172.80111.9R528 L530 E534 C535 E536R528-K532 WeakPolarHBondContact O-CB 3.43Å; R528-K532 VanDerWaalsContact O-CG 3.29Å; R528-K532 WeakPolarHBondContact O-CG 3.4Å; R528-K532 PolarHBondContact O-N 2.91Å; L530-K532 PolarHBondContact O-N 2.9Å; K532-E534 PolarHBondContact O-N 3.4Å; K532-C535 PolarHBondContact O-N 2.9Å; K532-C535 VanDerWaalsContact O-N 3.15Å; K532-E536 PolarHBondContact O-N 2.99Å; K532-E536 VanDerWaalsContact O-N 3.12Å
533H57.7Low62.4Low145 Ų145125 Ų12567%0.67163%0.625SS**Hα-helixtrans-62.6-19.2173.2-91.6-48.2000114.2R529 L530R529-H533 PolarHBondContact O-N 2.84Å; R529-H533 VanDerWaalsContact O-N 3.14Å; L530-H533 CarbonylContact O-C 3.55Å; L530-H533 WeakPolarHBondContact O-CB 3.37Å; L530-H533 PolarHBondContact O-N 3.28Å; L530-H533 VanDerWaalsContact O-N 3.15Å
534E56.3Low59.5Low118 Ų118129.3 Ų129.355%0.55164%0.639SS**Hα-helixtrans-82.9-40.1172.2-170.7152-124.900112.5L530 K531 K532 E536L530-E534 PolarHBondContact O-N 3.45Å; K531-E534 PolarHBondContact O-N 2.86Å; K532-E534 PolarHBondContact O-N 3.4Å; E534-E536 VanDerWaalsContact C-N 3.35Å; E534-E536 PolarHBondContact O-N 2.91Å
535C44.2Very low57Low107 Ų107130.9 Ų130.972%0.72365%0.65SS**Hα-helixtrans-67.5-26.5175.6-74.90000114.6K531 K532 R537K531-C535 PolarHBondContact O-N 2.9Å; K532-C535 PolarHBondContact O-N 2.9Å; K532-C535 VanDerWaalsContact O-N 3.15Å; C535-R537 PolarHBondContact O-N 3.44Å; C535-R537 VanDerWaalsContact O-N 3.08Å
536E43.6Very low54.3Low146 Ų146139.2 Ų139.268%0.68268%0.678SS**THydrogen-bonded Turntrans-7718-179.7-72.7175.6179.600114.3K532 E534K532-E536 PolarHBondContact O-N 2.99Å; K532-E536 VanDerWaalsContact O-N 3.12Å; E534-E536 VanDerWaalsContact C-N 3.35Å; E534-E536 PolarHBondContact O-N 2.91Å
537R35.8Very low52.1Low172 Ų172139.9 Ų139.965%0.64969%0.686SS**SBendtrans-101112.3179.5-156.2-179.1-54159.313.6110.7C535 R539C535-R537 PolarHBondContact O-N 3.44Å; C535-R537 VanDerWaalsContact O-N 3.08Å; R537-R539 PolarHBondContact O-N 3.49Å
538P39.1Very low49.5Very low117 Ų117146.6 Ų146.676%0.7671%0.709SS**  trans-61.7136.8-177.4-24.734.7000113.2S540P538-S540 VanDerWaalsContact C-N 3.34Å; P538-S540 PolarHBondContact O-N 3.19Å
539R43.1Very low47.2Very low257 Ų257151.4 Ų151.497%0.9773%0.727SS**  trans-73.987.4165.4-73.9173.367.6-1791.4109.4R537R537-R539 PolarHBondContact O-N 3.49Å
540S37.1Very low44.6Very low112 Ų112149.8 Ų149.878%0.78374%0.739SS**  trans-89123.2150162.60000106.6P538P538-S540 VanDerWaalsContact C-N 3.34Å; P538-S540 PolarHBondContact O-N 3.19Å
541G39.3Very low42.3Very low64 Ų64149.8 Ų149.866%0.6674%0.743SS**  trans-77.8141166.900000109.2
542D33Very low40.1Very low160 Ų160150.2 Ų150.286%0.85676%0.761SS**  -146.4164.6106.7-132.9-35.2000112.3
543T37.9Very low38Very low119 Ų119146.6 Ų146.673%0.7377%0.765SS**  trans-78.1123.9-161.5-52.10000112.5
544F31.8Very low36.7Very low210 Ų210145.3 Ų145.392%0.92177%0.772SS**  trans-151.2125139.8-117.4-76.4000111.1
545D38.9Very low35.4Very low108 Ų108145.4 Ų145.458%0.57878%0.784SS**  trans-74146.2176.7175.637.5000111.3S547D545-S547 WeakPolarHBondContact OD1-CB 3.29Å; D545-S547 PolarHBondContact OD1-N 2.81Å
546W34.5Very low35Very low256 Ų256146.1 Ų146.197%0.9779%0.788SS**  trans-155.980147.8-106.923000108.5Y548W546-Y548 PolarHBondContact O-N 2.89Å
547S36.6Very low34.4Very low89 Ų89147 Ų14762%0.62280%0.796SS**  trans-65.6124.6-18051.60000113.2D545D545-S547 WeakPolarHBondContact OD1-CB 3.29Å; D545-S547 PolarHBondContact OD1-N 2.81Å
548Y32.6Very low34Very low242 Ų242147 Ų14795%0.94981%0.805SS**  trans-133.8126.2153.9-104-84.3000109.9W546W546-Y548 PolarHBondContact O-N 2.89Å
549R35.3Very low33.3Very low222 Ų222146.3 Ų146.384%0.83880%0.803SS**  trans-108113.9-168.1-179.8-160.2-60.8-116.51.3111V551R549-V551 HydrophobicContact CG-CG2 4.35Å
550S28.6Very low33.7Very low118 Ų118140.2 Ų140.283%0.82580%0.797SS**  trans-149.583.9160.8-71.30000107.6
551V27.6Very low33.2Very low121 Ų121140.8 Ų140.873%0.73380%0.801SS**  59.1102.993.9-179.20000111.5R549R549-V551 HydrophobicContact CG-CG2 4.35Å
552S34.2Very low32.6Very low127 Ų127143.7 Ų143.789%0.88881%0.809SS**  trans-71.4136.2167.5-172.10000109.8
553G30.6Very low33.1Very low68 Ų68142.4 Ų142.470%0.70181%0.81SS**  trans-131.7131.2177.200000110.2
554S31Very low32.5Very low118 Ų118140 Ų14083%0.82581%0.809SS**  trans-69148.7-174.8-171.20000112.6
555C29Very low32.5Very low120 Ų120138.5 Ų138.581%0.81181%0.809SS**  trans-61.8144.2163.8-540000110.8
556P36.3Very low32.1Very low122 Ų122138.6 Ų138.679%0.79282%0.818SS**  trans-111146.4147.234.8-28.3000111.7
557I30.6Very low32.6Very low166 Ų166131.6 Ų131.685%0.85181%0.806SS**  trans-70.8141.5169.5-66.2154.3000109.3
558M26.8Very low32.2Very low171 Ų171133.8 Ų133.884%0.84281%0.81SS**  trans-172.8143.3138.5-86.5-122.580.300111.9
559S25.2Very low32Very low103 Ų103130.1 Ų130.172%0.7280%0.801SS**  trans-139.4170.6164.6-60.30000107.5
560P50.9Low31.6Very low128 Ų128124.9 Ų124.983%0.83179%0.794SS**  -120.1164.6-64.637.8-26.4000111.3
561S26.9Very low31.5Very low125 Ų125124.9 Ų124.987%0.87479%0.793SS**  trans-150.5167.2170.558.40000113.3
562C27.1Very low31.5Very low124 Ų124123.4 Ų123.484%0.83879%0.788SS**  trans-94.4162.3-158.9-70.90000114.8
563P43.1Very low31.2Very low133 Ų133126 Ų12686%0.86479%0.787SS**  trans-83.9155.2-173.234.1-36.8000114.3
564G25.9Very low31.3Very low69 Ų69134.1 Ų134.171%0.71180%0.796SS**  trans-151.7114.6176.100000114.9
565L30.4Very low32.4Very low178 Ų178134 Ų13493%0.93279%0.792SS**  trans51.8130.6148-51.5-179.4000122
566S30.8Very low32.6Very low110 Ų110134.2 Ų134.277%0.76980%0.796SS**  trans-76.7172.3160.4-37.70000111.4
567P45.7Very low32.3Very low110 Ų110130.8 Ų130.871%0.71478%0.782SS**  -157.8151.682.838-16.6000120.1
568I27.9Very low32.4Very low135 Ų135131.8 Ų131.869%0.69278%0.783SS**  trans57.9129.7139.1-52161.5000121.7
569H28.2Very low32.7Very low165 Ų165128.7 Ų128.776%0.76477%0.774SS**  159.998.9127.6-88.6-64.2000111.3
570T27.5Very low33.2Very low112 Ų112132.2 Ų132.269%0.68778%0.784SS**  58.798.293.361.80000115.4
571S25.2Very low32Very low117 Ų117129.4 Ų129.482%0.81878%0.778SS**  137168.199.962.20000108.4
572S27.5Very low32.4Very low90 Ų90133.5 Ų133.563%0.62978%0.78SS**  cis-150.4176.19.6-162.40000112.8
573E28.7Very low33.2Very low182 Ų182133 Ų13385%0.8578%0.776SS**  trans70.1167.8153.7-87.5137.4-96.300123
574R31.7Very low32.4Very low238 Ų238132.2 Ų132.290%0.89877%0.773SS**  trans-157.1-163.7-147-140.1-167.1-170.6-179.86110.7
575P54.4Low32.7Very low115 Ų115132.7 Ų132.775%0.74777%0.771SS**  -106176.7-127.442.3-28.6000115
576S33.6Very low32.9Very low126 Ų126130.8 Ų130.888%0.88177%0.766SS**  trans-139.4165.5152.3-168.50000109.7
577G30.5Very low33.6Very low50 Ų50130.7 Ų130.752%0.51576%0.763SS.*  trans-169.2-153.4-17500000113.4
578H33Very low32.9Very low187 Ų187130.1 Ų130.187%0.86677%0.767SS**  trans74.9156.1179.1-47.8-69000115.8
579T32.1Very low33Very low106 Ų106129 Ų12965%0.6577%0.771SS**  cis-170.6134.1-26.2-87.30000109.3
580L36.3Very low33.1Very low176 Ų176127 Ų12792%0.92177%0.77SS**  trans54.4150.7160.6-69166000122.4
581G24.8Very low33.2Very low69 Ų69128.9 Ų128.971%0.71177%0.773SS**  trans162120.1159.600000116
582F36.2Very low33.5Very low211 Ų211128.8 Ų128.893%0.92577%0.768SS**  trans-144.6140.3171.1-87.4-69.4000111.2
583P43.9Very low33.7Very low115 Ų115130.2 Ų130.275%0.74778%0.775SS**  -130.8153.9127.924.6-6.5000111.1
584S25.4Very low34Very low116 Ų116127.2 Ų127.281%0.81177%0.772SS**  cis75.1124.748-1530000112.8
585A33.1Very low34Very low79 Ų79122.3 Ų122.365%0.65377%0.768SS**  cis-169164.8-5.300000113.8
586V33.7Very low33Very low137 Ų137125.5 Ų125.583%0.8377%0.772SS**  trans72.4144.8142152.30000120
587P47.1Very low33.1Very low109 Ų109125.1 Ų125.171%0.70877%0.767SS**  cis-142.7-170.6-28.943.5-24.9000116.2
588A30.4Very low33.1Very low97 Ų97127 Ų12780%0.80278%0.777SS**  trans72.1142.1150.500000120.7
589S30.3Very low33.2Very low111 Ų111122.5 Ų122.578%0.77677%0.773SS**  cis-165.1174.4-14-165.70000113
590V29.9Very low33.6Very low124 Ų124128.3 Ų128.375%0.75278%0.784SS**  trans76.9145162.2-137.80000121.2
591M29.1Very low33.4Very low151 Ų151128.1 Ų128.174%0.74478%0.784SS**  trans97.883.1159.6-59.6-88.771.700121.1
592T31Very low34.2Very low116 Ų116136.6 Ų136.671%0.71279%0.794SS**  trans46.9137.6130.447.30000123.8
593P32.9Very low33.9Very low119 Ų119129.9 Ų129.977%0.77379%0.785SS**PPolyproline II helixtrans-92.8145.8-178.736.9-35.2000115.4
594P33.8Very low33.5Very low120 Ų120129.5 Ų129.578%0.77979%0.785SS**PPolyproline II helixtrans-88.3139.9165.333.7-31.9000112.6
595V32.8Very low33.9Very low135 Ų135129.6 Ų129.682%0.81879%0.785SS**PPolyproline II helixtrans-66.2129.3-178.21760000112.4
596Q33.9Very low34.2Very low181 Ų181135.9 Ų135.985%0.84679%0.792SS**PPolyproline II helixtrans-101.6120.7161.9-69.7-158.4800111.4
597P34.7Very low34.3Very low118 Ų118135.4 Ų135.477%0.76679%0.79SS**PPolyproline II helixtrans-67.7131.1167.6-1933000111.1A599P597-A599 PolarHBondContact O-N 2.89Å
598A30.6Very low34.2Very low89 Ų89134.8 Ų134.874%0.73679%0.793SS**PPolyproline II helixtrans-60.2125.1-172.500000113.6
599A34.9Very low34.5Very low93 Ų93137 Ų13777%0.76979%0.792SS**PPolyproline II helixtrans-73.4125.1166.400000109.8P597 L601P597-A599 PolarHBondContact O-N 2.89Å; A599-L601 PolarHBondContact O-N 2.93Å
600Y40.7Very low35.2Very low228 Ų228140.7 Ų140.789%0.89479%0.794SS**  trans-68.1114.2-179.7-79-98.2000111.3W602Y600-W602 PolarHBondContact O-N 2.84Å
601L32.7Very low35.9Very low173 Ų173140.9 Ų140.991%0.90680%0.8SS**  trans-63.595.1171.3-87154.4000110.8A599 G603A599-L601 PolarHBondContact O-N 2.93Å; L601-G603 VanDerWaalsContact C-N 3.35Å; L601-G603 PolarHBondContact O-N 2.59Å
602W42.1Very low36.5Very low247 Ų247145 Ų14594%0.93681%0.808SS**  trans-80.385.6171-151.3-10.4000110.3Y600 S604Y600-W602 PolarHBondContact O-N 2.84Å; W602-S604 PolarHBondContact O-N 3.47Å; W602-S604 VanDerWaalsContact O-N 3.08Å
603G29.6Very low36.9Very low70 Ų70143.8 Ų143.872%0.72281%0.81SS**  trans-58.4110-179.500000112.5L601L601-G603 VanDerWaalsContact C-N 3.35Å; L601-G603 PolarHBondContact O-N 2.59Å
604S34.8Very low37.4Very low107 Ų107147.9 Ų147.975%0.74881%0.81SS**  trans-92.5113.1167.9-67.90000109.5W602 R606W602-S604 PolarHBondContact O-N 3.47Å; W602-S604 VanDerWaalsContact O-N 3.08Å; S604-R606 VanDerWaalsContact C-N 3.29Å; S604-R606 PolarHBondContact O-N 3.4Å
605S33.4Very low37.9Very low117 Ų117150 Ų15082%0.81881%0.814SS**  trans-67.584.5173.140.20000110.8T607S605-T607 VanDerWaalsContact C-N 3.33Å; S605-T607 PolarHBondContact O-N 3.35Å
606R40.1Very low38.7Very low212 Ų212147.6 Ų147.680%0.880%0.803SS**  trans-82.172.3-173.3-161.1178.3-158.3-122.5-0.6112S604 A608S604-R606 VanDerWaalsContact C-N 3.29Å; S604-R606 PolarHBondContact O-N 3.4Å; R606-A608 PolarHBondContact O-N 2.97Å
607T35.4Very low39.9Very low127 Ų127145 Ų14578%0.77979%0.794SS**  trans-58.1127.6165.949.40000109.3S605 N609S605-T607 VanDerWaalsContact C-N 3.33Å; S605-T607 PolarHBondContact O-N 3.35Å; T607-N609 PolarHBondContact O-N 2.95Å
608A44.5Very low41Very low95 Ų95145.3 Ų145.379%0.78579%0.793SS**  trans-75120.6-167.600000111.4R606R606-A608 PolarHBondContact O-N 2.97Å
609N36.7Very low42.9Very low144 Ų144145.2 Ų145.277%0.7778%0.78SS**  trans-141.9108.1163-99.8-48.8000111.4T607T607-N609 PolarHBondContact O-N 2.95Å
610K45.5Very low45.1Very low189 Ų189143.9 Ų143.982%0.82276%0.763SS**  trans28.6104.1153.4-60177.7-175.5177.90117R612K610-R612 PolarHBondContact O-N 3.44Å
611S45.8Very low47.1Very low127 Ų127137.2 Ų137.289%0.88875%0.754SS**  trans-2.777.5159.755.90000118.5
612R40.8Very low49.3Very low237 Ų237135.6 Ų135.689%0.89474%0.742SS**  trans-72.4126.5149-160.3173.2-160.4155.46.8107.5K610 R614K610-R612 PolarHBondContact O-N 3.44Å; R612-R614 PolarHBondContact O-N 3.38Å
613A39Very low51.2Low91 Ų91128.3 Ų128.375%0.75272%0.718SS**  trans-51.5124.6-178.200000110.4L615A613-L615 VanDerWaalsContact C-N 3.27Å; A613-L615 PolarHBondContact O-N 2.86Å
614R44.6Very low53.9Low205 Ų205129.4 Ų129.477%0.77471%0.705SS**  trans-75.187.3176.9-68.6-178.184.1-177.64.6108.3R612 S616R612-R614 PolarHBondContact O-N 3.38Å; R614-S616 PolarHBondContact O-N 3.47Å
615L42.9Very low56.2Low166 Ų166131.3 Ų131.387%0.86970%0.7SS**  trans-62.276.7142.7-68.7177.5000107.2A613 L617A613-L615 VanDerWaalsContact C-N 3.27Å; A613-L615 PolarHBondContact O-N 2.86Å; L615-L617 PolarHBondContact O-N 2.96Å
616S49.5Very low58.6Low84 Ų84127.7 Ų127.759%0.58768%0.676SS**  trans-7267.416350.90000107.7R614 V618R614-S616 PolarHBondContact O-N 3.47Å; S616-V618 PolarHBondContact O-N 2.88Å
617L58.7Low60.7Low126 Ų126123.5 Ų123.566%0.6666%0.664SS**  trans-55.5106.4166.8-177.871.9000105.9L615 L619L615-L617 PolarHBondContact O-N 2.96Å; L617-L619 PolarHBondContact O-N 3.23Å
618V59.6Low63.3Low124 Ų124121 Ų12175%0.75265%0.651SS**  trans-62.7104.9178.3177.70000106.2S616 T620S616-V618 PolarHBondContact O-N 2.88Å; V618-T620 VanDerWaalsContact C-N 3.34Å; V618-T620 PolarHBondContact O-N 3.48Å
619L69.8Low65.3Low87 Ų87121.2 Ų121.246%0.45564%0.636SS.*  trans-66.297.8-179.2-72.7177.7000107.9L617 H623 F627L617-L619 PolarHBondContact O-N 3.23Å; L619-H623 HydrophobicContact CD2-CB 4.17Å; L619-F627 HydrophobicContact CD2-CD2 4.4Å; L619-F627 HydrophobicContact CD2-CE2 3.84Å
620T81.8Confident67.8Low66 Ų66117.6 Ų117.641%0.40562%0.616SS.*  trans-52.2151.3173.167.90000109.5V618 E622 H623 Q624V618-T620 VanDerWaalsContact C-N 3.34Å; V618-T620 PolarHBondContact O-N 3.48Å; T620-E622 PolarHBondContact O-N 2.74Å; T620-H623 PolarHBondContact O-N 3.19Å; T620-H623 PolarHBondContact OG1-N 3.23Å; T620-H623 PolarHBondContact OG1-ND1 2.94Å; T620-H623 VanDerWaalsContact OG1-ND1 3.14Å; T620-Q624 PolarHBondContact O-N 2.92Å
621A81.5Confident70Confident87 Ų87109.8 Ų109.872%0.71959%0.589SS**Hα-helixtrans-55.1-28.8177.800000112.1K625A621-K625 WeakPolarHBondContact O-CB 3.41Å; A621-K625 PolarHBondContact O-N 3.12Å
622E79.3Confident72.1Confident139 Ų139106.7 Ų106.765%0.6557%0.571SS**Hα-helixtrans-68.2-47.4172.7-59.7-144.1114.900113.3T620 K625 A626T620-E622 PolarHBondContact O-N 2.74Å; E622-K625 PolarHBondContact O-N 3.29Å; E622-A626 WeakPolarHBondContact O-CB 3.19Å; E622-A626 PolarHBondContact O-N 3.42Å
623H82.9Confident74.5Confident94 Ų9497.8 Ų97.844%0.43554%0.54SS..Hα-helixtrans-60.9-45.4175-69.1144.2000111.2L619 T620 K625 A626 F627L619-H623 HydrophobicContact CD2-CB 4.17Å; T620-H623 PolarHBondContact O-N 3.19Å; T620-H623 PolarHBondContact OG1-N 3.23Å; T620-H623 PolarHBondContact OG1-ND1 2.94Å; T620-H623 VanDerWaalsContact OG1-ND1 3.14Å; H623-K625 VanDerWaalsContact C-N 3.34Å; H623-K625 PolarHBondContact O-N 3.06Å; H623-A626 PolarHBondContact O-N 3.19Å; H623-F627 HydrophobicContact CB-CE2 4.38Å; H623-F627 WeakPolarHBondContact O-CD2 3.43Å; H623-F627 PolarHBondContact O-N 3.22Å
624Q84.6Confident76.9Confident94 Ų9496.5 Ų96.544%0.43952%0.52SS..Hα-helixtrans-61.6-41.7177-173.561.417.600111.8T620 F627 C628T620-Q624 PolarHBondContact O-N 2.92Å; Q624-F627 PolarHBondContact O-N 2.87Å; Q624-C628 WeakPolarHBondContact O-CB 3.31Å; Q624-C628 PolarHBondContact O-N 2.9Å; Q624-C628 PolarHBondContact O-SG 2.96Å; Q624-C628 VanDerWaalsContact O-SG 3.35Å
625K84.4Confident79.1Confident147 Ų14795.9 Ų95.964%0.63952%0.518SS*.Hα-helixtrans-62.5-41.5174.8-175.5170.2-178.3170.50112A621 E622 H623 C628 Q629A621-K625 WeakPolarHBondContact O-CB 3.41Å; A621-K625 PolarHBondContact O-N 3.12Å; E622-K625 PolarHBondContact O-N 3.29Å; H623-K625 VanDerWaalsContact C-N 3.34Å; H623-K625 PolarHBondContact O-N 3.06Å; K625-C628 PolarHBondContact O-N 2.93Å; K625-Q629 WeakPolarHBondContact O-CB 3.19Å; K625-Q629 PolarHBondContact O-N 3.43Å
626A82.5Confident81.4Confident40 Ų4088.9 Ų88.933%0.33149%0.486SS..Hα-helixtrans-64.4-44.9175.900000112.1E622 H623 C628 Q629 I630E622-A626 WeakPolarHBondContact O-CB 3.19Å; E622-A626 PolarHBondContact O-N 3.42Å; H623-A626 PolarHBondContact O-N 3.19Å; A626-C628 PolarHBondContact O-N 3.44Å; A626-Q629 PolarHBondContact O-N 3.47Å; A626-I630 WeakPolarHBondContact O-CB 3.27Å; A626-I630 WeakPolarHBondContact O-CG1 3.38Å; A626-I630 PolarHBondContact O-N 2.8Å
627F84.9Confident83.4Confident124 Ų12485.2 Ų85.254%0.54446%0.459SS..Hα-helixtrans-61.6-42175.1-75.8-59.8000112.4L619 H623 Q624 G631L619-F627 HydrophobicContact CD2-CD2 4.4Å; L619-F627 HydrophobicContact CD2-CE2 3.84Å; H623-F627 HydrophobicContact CB-CE2 4.38Å; H623-F627 WeakPolarHBondContact O-CD2 3.43Å; H623-F627 PolarHBondContact O-N 3.22Å; Q624-F627 PolarHBondContact O-N 2.87Å; F627-G631 PolarHBondContact O-N 3.35Å
628C89.6Confident85Confident75 Ų7581.6 Ų81.651%0.50744%0.441SS..Hα-helixtrans-61.6-43.2173.5-72.90000112.2Q624 K625 A626 A632Q624-C628 WeakPolarHBondContact O-CB 3.31Å; Q624-C628 PolarHBondContact O-N 2.9Å; Q624-C628 PolarHBondContact O-SG 2.96Å; Q624-C628 VanDerWaalsContact O-SG 3.35Å; K625-C628 PolarHBondContact O-N 2.93Å; A626-C628 PolarHBondContact O-N 3.44Å; C628-A632 VanDerWaalsContact O-CB 3.31Å; C628-A632 WeakPolarHBondContact O-CB 3.3Å; C628-A632 PolarHBondContact O-N 2.61Å
629Q87.8Confident86.6Confident99 Ų9978.8 Ų78.846%0.46342%0.424SS..Hα-helixtrans-66.4-50.2179.7-173.3172.3-4.200111.9L21 K625 A626 G631 A632 M633L21-Q629 HydrophobicContact CD2-CG 4.01Å; K625-Q629 WeakPolarHBondContact O-CB 3.19Å; K625-Q629 PolarHBondContact O-N 3.43Å; A626-Q629 PolarHBondContact O-N 3.47Å; Q629-G631 VanDerWaalsContact C-N 3.34Å; Q629-G631 PolarHBondContact O-N 3.03Å; Q629-A632 PolarHBondContact O-N 2.95Å; Q629-M633 HydrophobicContact CG-SD 4.15Å; Q629-M633 VanDerWaalsContact O-CG 3.28Å; Q629-M633 WeakPolarHBondContact O-CG 3.43Å; Q629-M633 PolarHBondContact O-N 3.49Å
630I89.3Confident87.7Confident69 Ų6979.9 Ų79.935%0.35442%0.422SS..Hα-helixtrans-60.9-44.7176.7-67.4164.8000110.4L21 A626 A632 M633 I634L21-I630 HydrophobicContact CD1-CD1 4.43Å; L21-I630 HydrophobicContact CD1-CG1 3.78Å; A626-I630 WeakPolarHBondContact O-CB 3.27Å; A626-I630 WeakPolarHBondContact O-CG1 3.38Å; A626-I630 PolarHBondContact O-N 2.8Å; I630-A632 PolarHBondContact O-N 2.83Å; I630-M633 PolarHBondContact O-N 3.19Å; I630-I634 HydrophobicContact CG2-CD1 3.68Å; I630-I634 HydrophobicContact CG2-CG1 4.38Å; I630-I634 WeakPolarHBondContact O-CG1 3.36Å; I630-I634 PolarHBondContact O-N 3.22Å
631G90.1Very high88.1Confident25 Ų2578.9 Ų78.926%0.25841%0.411SS..Hα-helixtrans-60.2-41.5176.600000113F627 Q629 R635F627-G631 PolarHBondContact O-N 3.35Å; Q629-G631 VanDerWaalsContact C-N 3.34Å; Q629-G631 PolarHBondContact O-N 3.03Å; G631-R635 VanDerWaalsContact O-CB 3.27Å; G631-R635 WeakPolarHBondContact O-CB 3.25Å; G631-R635 WeakPolarHBondContact O-CG 3.28Å; G631-R635 PolarHBondContact O-N 3.38Å
632A91.5Very high88.7Confident62 Ų6275 Ų7551%0.51238%0.378SS..Hα-helixtrans-66.1-41.5174.800000112.2C628 Q629 I630 G636C628-A632 VanDerWaalsContact O-CB 3.31Å; C628-A632 WeakPolarHBondContact O-CB 3.3Å; C628-A632 PolarHBondContact O-N 2.61Å; Q629-A632 PolarHBondContact O-N 2.95Å; I630-A632 PolarHBondContact O-N 2.83Å; A632-G636 PolarHBondContact O-N 3.1Å
633M89.6Confident89.3Confident49 Ų4972.2 Ų72.224%0.24137%0.367CS..Hα-helixtrans-62.9-48.7177.3-69.2170.878.600111.5F13 S17 L21 Q629 I630 G636 F637F13-M633 HydrophobicContact CZ-CB 4.3Å; F13-M633 WeakPolarHBondContact CZ-O 3.3Å; S17-M633 VanDerWaalsContact CB-CE 3.48Å; S17-M633 WeakPolarHBondContact OG-CE 3.48Å; L21-M633 HydrophobicContact CD1-SD 4.2Å; L21-M633 HydrophobicContact CD2-SD 4.22Å; L21-M633 HydrophobicContact CG-SD 4.27Å; Q629-M633 HydrophobicContact CG-SD 4.15Å; Q629-M633 VanDerWaalsContact O-CG 3.28Å; Q629-M633 WeakPolarHBondContact O-CG 3.43Å; Q629-M633 PolarHBondContact O-N 3.49Å; I630-M633 PolarHBondContact O-N 3.19Å; M633-G636 PolarHBondContact O-N 2.94Å; M633-F637 PolarHBondContact O-N 3.06Å
634I90.1Very high89.7Confident65 Ų6572.2 Ų72.233%0.33337%0.366SS..Hα-helixtrans-64-48.3178.4-66.2170.6000111I630 G636 F637 L638I630-I634 HydrophobicContact CG2-CD1 3.68Å; I630-I634 HydrophobicContact CG2-CG1 4.38Å; I630-I634 WeakPolarHBondContact O-CG1 3.36Å; I630-I634 PolarHBondContact O-N 3.22Å; I634-G636 VanDerWaalsContact C-N 3.31Å; I634-G636 PolarHBondContact O-N 3.31Å; I634-F637 PolarHBondContact O-N 3.06Å; I634-L638 HydrophobicContact CG2-CD1 3.91Å; I634-L638 HydrophobicContact CG2-CG 4.37Å; I634-L638 WeakPolarHBondContact O-CG 3.38Å; I634-L638 PolarHBondContact O-N 3.28Å
635R90.5Very high90Very high191 Ų19167.8 Ų67.872%0.72135%0.345SS*.Hα-helixtrans-57.9-44.5175.8-74.1174.8-176.5-154.52.2111.1G631 F637 L638 T639G631-R635 VanDerWaalsContact O-CB 3.27Å; G631-R635 WeakPolarHBondContact O-CB 3.25Å; G631-R635 WeakPolarHBondContact O-CG 3.28Å; G631-R635 PolarHBondContact O-N 3.38Å; R635-F637 PolarHBondContact O-N 3.36Å; R635-L638 PolarHBondContact O-N 3.25Å; R635-T639 WeakPolarHBondContact O-CB 3.28Å; R635-T639 PolarHBondContact O-N 2.86Å; R635-T639 PolarHBondContact O-OG1 2.91Å
636G92.1Very high90.3Very high20 Ų2063.9 Ų63.921%0.20633%0.329CS..Hα-helixtrans-60.7-42.8176.600000113.3A632 M633 I634 R640A632-G636 PolarHBondContact O-N 3.1Å; M633-G636 PolarHBondContact O-N 2.94Å; I634-G636 VanDerWaalsContact C-N 3.31Å; I634-G636 PolarHBondContact O-N 3.31Å; G636-R640 VanDerWaalsContact C-NH1 3.33Å; G636-R640 WeakPolarHBondContact O-CB 3.38Å; G636-R640 VanDerWaalsContact O-CG 3.3Å; G636-R640 WeakPolarHBondContact O-CG 3.41Å; G636-R640 PolarHBondContact O-N 2.88Å; G636-R640 PolarHBondContact O-NH1 3.07Å
637F91.5Very high90.7Very high6 Ų665.6 Ų65.63%0.02633%0.329CS..Hα-helixtrans-63.1-47.3173.9172.3-87.5000111.7M7 E8 Y10 F13 M633 I634 R635 T639 R640 R641M7-F637 HydrophobicContact CE-CD2 3.6Å; M7-F637 HydrophobicContact CE-CE2 3.6Å; M7-F637 HydrophobicContact CE-CG 4.22Å; M7-F637 HydrophobicContact CE-CZ 4.19Å; E8-F637 HydrophobicContact CG-CD2 4.44Å; E8-F637 HydrophobicContact CG-CE2 4.09Å; Y10-F637 HydrophobicContact CD2-CD1 4.33Å; Y10-F637 AromaticContact CD2-CE1 3.71Å; Y10-F637 HydrophobicContact CD2-CE1 3.71Å; Y10-F637 HydrophobicContact CD2-CZ 4.04Å; F13-F637 HydrophobicContact CB-CD2 3.75Å; F13-F637 HydrophobicContact CB-CE2 3.6Å; F13-F637 HydrophobicContact CB-CZ 4.45Å; F13-F637 HydrophobicContact CD1-CB 4.03Å; F13-F637 HydrophobicContact CD1-CD1 4.25Å; F13-F637 AromaticContact CD1-CD2 3.57Å; F13-F637 HydrophobicContact CD1-CD2 3.57Å; F13-F637 HydrophobicContact CD1-CE2 4.03Å; F13-F637 AromaticContact CD1-CG 3.69Å; F13-F637 HydrophobicContact CD1-CG 3.69Å; F13-F637 HydrophobicContact CD2-CB 4.21Å; F13-F637 AromaticContact CD2-CD2 3.58Å; F13-F637 HydrophobicContact CD2-CD2 3.58Å; F13-F637 HydrophobicContact CD2-CE2 4.32Å; F13-F637 HydrophobicContact CD2-CG 4.19Å; F13-F637 HydrophobicContact CE1-CB 3.61Å; F13-F637 HydrophobicContact CE1-CD1 4.42Å; F13-F637 HydrophobicContact CE1-CD2 4.08Å; F13-F637 AromaticContact CE1-CG 3.8Å; F13-F637 HydrophobicContact CE1-CG 3.8Å; F13-F637 HydrophobicContact CE2-CB 3.83Å; F13-F637 HydrophobicContact CE2-CD2 4.09Å; F13-F637 HydrophobicContact CE2-CG 4.3Å; F13-F637 HydrophobicContact CG-CB 4.31Å; F13-F637 AromaticContact CG-CD2 3.29Å; F13-F637 HydrophobicContact CG-CD2 3.29Å; F13-F637 AromaticContact CG-CE2 3.7Å; F13-F637 HydrophobicContact CG-CE2 3.7Å; F13-F637 AromaticContact CG-CG 3.9Å; F13-F637 HydrophobicContact CG-CG 3.9Å; F13-F637 HydrophobicContact CZ-CB 3.51Å; F13-F637 HydrophobicContact CZ-CD2 4.33Å; F13-F637 HydrophobicContact CZ-CG 4.12Å; M633-F637 PolarHBondContact O-N 3.06Å; I634-F637 PolarHBondContact O-N 3.06Å; R635-F637 PolarHBondContact O-N 3.36Å; F637-T639 PolarHBondContact O-N 3.24Å; F637-R640 PolarHBondContact O-N 3.07Å; F637-R641 WeakPolarHBondContact O-CB 3.28Å; F637-R641 PolarHBondContact O-N 3.32Å
638L91.8Very high91.2Very high50 Ų5059.7 Ų59.726%0.26230%0.303SS..Hα-helixtrans-62.7-43.3179.7-68.3173.5000111.7I634 R635 R641 L642 L711 L714I634-L638 HydrophobicContact CG2-CD1 3.91Å; I634-L638 HydrophobicContact CG2-CG 4.37Å; I634-L638 WeakPolarHBondContact O-CG 3.38Å; I634-L638 PolarHBondContact O-N 3.28Å; R635-L638 PolarHBondContact O-N 3.25Å; L638-R641 WeakPolarHBondContact O-CB 3.43Å; L638-R641 PolarHBondContact O-N 2.89Å; L638-R641 VanDerWaalsContact O-N 3.17Å; L638-L642 WeakPolarHBondContact O-CB 3.38Å; L638-L642 PolarHBondContact O-N 3.36Å; L638-L711 HydrophobicContact CD1-CD2 4.48Å; L638-L711 HydrophobicContact CD2-CD2 4.44Å; L638-L714 HydrophobicContact CD2-CD1 3.9Å
639T92.7Very high91.4Very high66 Ų6661.7 Ų61.741%0.40530%0.303SS..Hα-helixtrans-59.8-47.6173.1-66.20000111.7R635 F637 R641 L642 L643 F702R635-T639 WeakPolarHBondContact O-CB 3.28Å; R635-T639 PolarHBondContact O-N 2.86Å; R635-T639 PolarHBondContact O-OG1 2.91Å; F637-T639 PolarHBondContact O-N 3.24Å; T639-R641 PolarHBondContact O-N 2.97Å; T639-L642 PolarHBondContact O-N 3.37Å; T639-L643 HydrophobicContact CG2-CD1 4.47Å; T639-L643 WeakPolarHBondContact O-CG 3.4Å; T639-L643 PolarHBondContact O-N 2.85Å; T639-F702 HydrophobicContact CG2-CE1 3.97Å
640R92.6Very high91.7Very high110 Ų11062.5 Ų62.542%0.41531%0.307SS..Hα-helixtrans-62.8-30.4175.2-72.9-172.8-56.7-88.53.8112.7M7 G636 F637 K644M7-R640 HydrophobicContact CE-CB 3.95Å; M7-R640 HydrophobicContact SD-CB 4.48Å; G636-R640 VanDerWaalsContact C-NH1 3.33Å; G636-R640 WeakPolarHBondContact O-CB 3.38Å; G636-R640 VanDerWaalsContact O-CG 3.3Å; G636-R640 WeakPolarHBondContact O-CG 3.41Å; G636-R640 PolarHBondContact O-N 2.88Å; G636-R640 PolarHBondContact O-NH1 3.07Å; F637-R640 PolarHBondContact O-N 3.07Å; R640-K644 WeakPolarHBondContact O-CG 3.43Å
641R91.3Very high92.1Very high45 Ų4559.9 Ų59.917%0.1729%0.294CS..Hα-helixtrans-74-41.8175-157.972.8-179.7-158.96.8111.1M7 E8 F637 L638 T639 K644 T645 L714M7-R641 HydrophobicContact CE-CB 4.06Å; M7-R641 PolarHBondContact O-NH1 2.96Å; M7-R641 HydrophobicContact SD-CB 4.36Å; M7-R641 VanDerWaalsContact SD-CD 3.5Å; E8-R641 PolarHBondContact O-NH1 3.19Å; F637-R641 WeakPolarHBondContact O-CB 3.28Å; F637-R641 PolarHBondContact O-N 3.32Å; L638-R641 WeakPolarHBondContact O-CB 3.43Å; L638-R641 PolarHBondContact O-N 2.89Å; L638-R641 VanDerWaalsContact O-N 3.17Å; T639-R641 PolarHBondContact O-N 2.97Å; R641-K644 CarbonylContact O-C 3.56Å; R641-K644 WeakPolarHBondContact O-CA 3.27Å; R641-K644 PolarHBondContact O-N 2.85Å; R641-T645 PolarHBondContact O-N 3.04Å; R641-L714 HydrophobicContact CB-CD2 3.83Å; R641-L714 HydrophobicContact CG-CD2 3.7Å
642L93.3Very high92.4Very high6 Ų661.4 Ų61.43%0.03130%0.3CS..Hα-helixtrans-60.3-47.5178.4-152.568.6000110.1L638 T639 K644 T645 L648 I701 F702 R710 L713 L714L638-L642 WeakPolarHBondContact O-CB 3.38Å; L638-L642 PolarHBondContact O-N 3.36Å; T639-L642 PolarHBondContact O-N 3.37Å; L642-K644 PolarHBondContact O-N 3.14Å; L642-K644 VanDerWaalsContact O-N 3.09Å; L642-T645 HydrophobicContact CD1-CG2 4.5Å; L642-T645 WeakPolarHBondContact O-CB 3.28Å; L642-T645 VanDerWaalsContact O-CG2 3.32Å; L642-T645 WeakPolarHBondContact O-CG2 3.38Å; L642-T645 PolarHBondContact O-N 2.96Å; L642-T645 PolarHBondContact O-OG1 3.2Å; L642-L648 HydrophobicContact CB-CD1 4.27Å; L642-L648 HydrophobicContact CD2-CD1 4.4Å; L642-L648 HydrophobicContact CG-CD1 3.84Å; L642-L648 VanDerWaalsContact O-CD1 3.22Å; L642-L648 WeakPolarHBondContact O-CD1 3.33Å; L642-I701 HydrophobicContact CD2-CG2 3.78Å; L642-I701 HydrophobicContact CG-CG2 4.23Å; L642-F702 HydrophobicContact CB-CE1 4.23Å; L642-F702 HydrophobicContact CB-CZ 4.25Å; L642-F702 HydrophobicContact CD2-CD1 4.08Å; L642-F702 HydrophobicContact CD2-CE1 3.63Å; L642-F702 HydrophobicContact CD2-CZ 4Å; L642-F702 HydrophobicContact CG-CE1 4.39Å; L642-F702 HydrophobicContact CG-CZ 4.39Å; L642-R710 HydrophobicContact CD2-CG 4.1Å; L642-L713 HydrophobicContact CD1-CD2 4.04Å; L642-L714 HydrophobicContact CB-CD2 4.4Å; L642-L714 HydrophobicContact CD1-CD1 4.21Å; L642-L714 HydrophobicContact CD1-CD2 3.87Å; L642-L714 HydrophobicContact CD1-CG 3.69Å
643L92.1Very high92.6Very high79 Ų7963.7 Ų63.741%0.41430%0.3SS..THydrogen-bonded Turntrans-58.4-19.8172.7-69.6172.4000114.6T639 F702T639-L643 HydrophobicContact CG2-CD1 4.47Å; T639-L643 WeakPolarHBondContact O-CG 3.4Å; T639-L643 PolarHBondContact O-N 2.85Å; L643-F702 HydrophobicContact CD2-CE2 3.78Å; L643-F702 HydrophobicContact CD2-CZ 3.56Å; L643-F702 HydrophobicContact CG-CZ 3.81Å
644K90.7Very high92.9Very high94 Ų9463.3 Ų63.341%0.40930%0.3SS..THydrogen-bonded Turntrans-99.12.9176.2-68.8-172.5-169.7179.80113.7M7 R640 R641 L642 K649M7-K644 HydrophobicContact CB-CD 3.9Å; M7-K644 HydrophobicContact CG-CD 4.34Å; M7-K644 HydrophobicContact SD-CD 3.73Å; R640-K644 WeakPolarHBondContact O-CG 3.43Å; R641-K644 CarbonylContact O-C 3.56Å; R641-K644 WeakPolarHBondContact O-CA 3.27Å; R641-K644 PolarHBondContact O-N 2.85Å; L642-K644 PolarHBondContact O-N 3.14Å; L642-K644 VanDerWaalsContact O-N 3.09Å; K644-K649 WeakPolarHBondContact O-CE 3.39Å; K644-K649 PolarHBondContact O-NZ 2.96Å
645T92.5Very high93.3Very high1 Ų161.6 Ų61.61%0.00629%0.293CS..SBendtrans-69.5160.9171.564.20000111.4R641 L642 K649 L713 L714 D717R641-T645 PolarHBondContact O-N 3.04Å; L642-T645 HydrophobicContact CD1-CG2 4.5Å; L642-T645 WeakPolarHBondContact O-CB 3.28Å; L642-T645 VanDerWaalsContact O-CG2 3.32Å; L642-T645 WeakPolarHBondContact O-CG2 3.38Å; L642-T645 PolarHBondContact O-N 2.96Å; L642-T645 PolarHBondContact O-OG1 3.2Å; T645-K649 WeakPolarHBondContact O-CB 3.1Å; T645-K649 VanDerWaalsContact O-CG 3.31Å; T645-K649 WeakPolarHBondContact O-CG 3.49Å; T645-K649 PolarHBondContact O-N 2.9Å; T645-L713 HydrophobicContact CG2-CD2 3.59Å; T645-L714 HydrophobicContact CG2-CD2 3.81Å; T645-D717 WeakPolarHBondContact CA-OD1 3.4Å; T645-D717 HydrophobicContact CG2-CB 3.96Å
646E90.3Very high93.6Very high65 Ų6554.6 Ų54.630%0.30428%0.276SS..Hα-helixtrans-66.9-42.3-178.5-168.6159.3-109.600113.7L648 K649 Q650 R724E646-L648 PolarHBondContact O-N 3.08Å; E646-K649 PolarHBondContact O-N 3.42Å; E646-Q650 HydrophobicContact CG-CG 4.37Å; E646-Q650 WeakPolarHBondContact O-CB 3.44Å; E646-Q650 WeakPolarHBondContact O-CG 3.41Å; E646-Q650 PolarHBondContact O-N 2.68Å; E646-R724 IonicContact OE1-CZ 3.27Å; E646-R724 VanDerWaalsContact OE1-CZ 3.29Å; E646-R724 IonicContact OE1-NH1 3.92Å; E646-R724 PolarHBondContact OE1-NH1 2.89Å; E646-R724 IonicContact OE1-NH2 3.71Å; E646-R724 PolarHBondContact OE1-NH2 3.3Å; E646-R724 IonicContact OE2-CZ 2.96Å; E646-R724 IonicContact OE2-NH1 2.71Å; E646-R724 IonicContact OE2-NH2 3.26Å; E646-R724 PolarHBondContact OE2-NH2 2.91Å
647K91.4Very high93.8Very high77 Ų7757.4 Ų57.434%0.33529%0.286SS..Hα-helixtrans-54-54.4175.2-172.8-174.6-179.8-162.20109.9K649 Q650 L651 E700 I701 L713K647-K649 PolarHBondContact O-N 2.81Å; K647-Q650 PolarHBondContact O-N 3.24Å; K647-L651 VanDerWaalsContact O-CB 3.24Å; K647-L651 WeakPolarHBondContact O-CB 3.37Å; K647-L651 PolarHBondContact O-N 2.88Å; K647-E700 IonicContact NZ-OE2 2.9Å; K647-E700 PolarHBondContact NZ-OE2 2.86Å; K647-I701 HydrophobicContact CD-CD1 3.57Å; K647-I701 HydrophobicContact CD-CG1 4.2Å; K647-I701 HydrophobicContact CG-CD1 4.13Å; K647-L713 HydrophobicContact CD-CD1 4.27Å
648L94.4Very high94Very high0 Ų057.5 Ų57.50%029%0.287CS..Hα-helixtrans-69.8-31.1-177.5-84.5165.6000113.8L642 E646 L651 C652 I698 I701 F702L642-L648 HydrophobicContact CB-CD1 4.27Å; L642-L648 HydrophobicContact CD2-CD1 4.4Å; L642-L648 HydrophobicContact CG-CD1 3.84Å; L642-L648 VanDerWaalsContact O-CD1 3.22Å; L642-L648 WeakPolarHBondContact O-CD1 3.33Å; E646-L648 PolarHBondContact O-N 3.08Å; L648-L651 HydrophobicContact CD2-CD2 4.39Å; L648-L651 PolarHBondContact O-N 2.87Å; L648-C652 VanDerWaalsContact O-CB 3.3Å; L648-C652 WeakPolarHBondContact O-CB 3.28Å; L648-C652 PolarHBondContact O-N 3.27Å; L648-C652 PolarHBondContact O-SG 3.23Å; L648-I698 HydrophobicContact CD2-CB 4.5Å; L648-I698 HydrophobicContact CD2-CG1 4.01Å; L648-I698 HydrophobicContact CD2-CG2 4.3Å; L648-I701 HydrophobicContact CD1-CG2 3.83Å; L648-I701 HydrophobicContact CD2-CD1 3.82Å; L648-I701 HydrophobicContact CG-CD1 3.88Å; L648-I701 HydrophobicContact CG-CG2 4.35Å; L648-F702 HydrophobicContact CD1-CE2 3.56Å; L648-F702 HydrophobicContact CD1-CZ 3.64Å; L648-F702 HydrophobicContact CD2-CE2 3.84Å; L648-F702 HydrophobicContact CG-CE2 4.39Å
649K94.1Very high94.2Very high117 Ų11762.4 Ų62.451%0.50930%0.302SS..Hα-helixtrans-63.7-48.9171.5-81166.9171.1156.40112.3K644 T645 E646 K647 L651 Q653K644-K649 WeakPolarHBondContact O-CE 3.39Å; K644-K649 PolarHBondContact O-NZ 2.96Å; T645-K649 WeakPolarHBondContact O-CB 3.1Å; T645-K649 VanDerWaalsContact O-CG 3.31Å; T645-K649 WeakPolarHBondContact O-CG 3.49Å; T645-K649 PolarHBondContact O-N 2.9Å; E646-K649 PolarHBondContact O-N 3.42Å; K647-K649 PolarHBondContact O-N 2.81Å; K649-L651 PolarHBondContact O-N 3.36Å; K649-Q653 VanDerWaalsContact O-CB 3.31Å; K649-Q653 WeakPolarHBondContact O-CB 3.38Å; K649-Q653 PolarHBondContact O-N 3.38Å
650Q94.6Very high94.4Very high115 Ų11565.6 Ų65.654%0.53731%0.313SS..Hα-helixtrans-59.9-38.8177.6-71.8168.7-19.400110.9E646 K647 Q653 T654E646-Q650 HydrophobicContact CG-CG 4.37Å; E646-Q650 WeakPolarHBondContact O-CB 3.44Å; E646-Q650 WeakPolarHBondContact O-CG 3.41Å; E646-Q650 PolarHBondContact O-N 2.68Å; K647-Q650 PolarHBondContact O-N 3.24Å; Q650-Q653 PolarHBondContact O-N 2.88Å; Q650-T654 WeakPolarHBondContact O-CB 3.2Å; Q650-T654 PolarHBondContact O-N 3.42Å; Q650-T654 PolarHBondContact O-OG1 3.24Å
651L96.6Very high94.5Very high15 Ų1564 Ų648%0.07931%0.309CS..Hα-helixtrans-73.4-45-178.6-159.959.9000112.9K647 L648 K649 Q653 T654 V655 A694 D697 I698 I701K647-L651 VanDerWaalsContact O-CB 3.24Å; K647-L651 WeakPolarHBondContact O-CB 3.37Å; K647-L651 PolarHBondContact O-N 2.88Å; L648-L651 HydrophobicContact CD2-CD2 4.39Å; L648-L651 PolarHBondContact O-N 2.87Å; K649-L651 PolarHBondContact O-N 3.36Å; L651-Q653 VanDerWaalsContact C-N 3.29Å; L651-Q653 PolarHBondContact O-N 3.5Å; L651-T654 WeakPolarHBondContact O-CB 3.46Å; L651-T654 PolarHBondContact O-N 2.71Å; L651-V655 WeakPolarHBondContact O-CG2 3.47Å; L651-V655 PolarHBondContact O-N 3.47Å; L651-A694 HydrophobicContact CD1-CB 3.84Å; L651-A694 WeakPolarHBondContact CG-O 3.18Å; L651-D697 HydrophobicContact CD1-CB 3.88Å; L651-D697 HydrophobicContact CD2-CB 3.45Å; L651-D697 VanDerWaalsContact CD2-CB 3.45Å; L651-D697 HydrophobicContact CG-CB 4.24Å; L651-I698 HydrophobicContact CB-CG1 4.48Å; L651-I698 HydrophobicContact CD2-CB 4.38Å; L651-I698 HydrophobicContact CD2-CD1 4.47Å; L651-I698 HydrophobicContact CD2-CG1 3.44Å; L651-I698 VanDerWaalsContact CD2-CG1 3.44Å; L651-I698 HydrophobicContact CG-CD1 4.27Å; L651-I698 HydrophobicContact CG-CG1 3.74Å; L651-I701 HydrophobicContact CD2-CD1 4.06Å
652C95.8Very high94.6Very high56 Ų5662.6 Ų62.638%0.37831%0.305SS..Hα-helixtrans-63.5-33.8171.7-69.40000112.4L648 A656L648-C652 VanDerWaalsContact O-CB 3.3Å; L648-C652 WeakPolarHBondContact O-CB 3.28Å; L648-C652 PolarHBondContact O-N 3.27Å; L648-C652 PolarHBondContact O-SG 3.23Å; C652-A656 PolarHBondContact O-N 2.89Å
653Q96.3Very high94.6Very high111 Ų11167 Ų6752%0.51933%0.325SS..Hα-helixtrans-66.8-46.1171.7-167.565.754.100110.5K649 Q650 L651 V655 A656 D657K649-Q653 VanDerWaalsContact O-CB 3.31Å; K649-Q653 WeakPolarHBondContact O-CB 3.38Å; K649-Q653 PolarHBondContact O-N 3.38Å; Q650-Q653 PolarHBondContact O-N 2.88Å; L651-Q653 VanDerWaalsContact C-N 3.29Å; L651-Q653 PolarHBondContact O-N 3.5Å; Q653-V655 VanDerWaalsContact C-N 3.27Å; Q653-V655 PolarHBondContact O-N 3.04Å; Q653-A656 CarbonylContact O-C 3.58Å; Q653-A656 WeakPolarHBondContact O-CA 3.19Å; Q653-A656 WeakPolarHBondContact O-CB 3.35Å; Q653-A656 PolarHBondContact O-N 3.11Å; Q653-D657 PolarHBondContact NE2-OD1 3.42Å; Q653-D657 PolarHBondContact O-N 3.4Å
654T96.7Very high94.5Very high41 Ų4166 Ų6625%0.25233%0.325SS..Hα-helixtrans-56.9-40.4175.6-550000111.9Q650 L651 T658 A694Q650-T654 WeakPolarHBondContact O-CB 3.2Å; Q650-T654 PolarHBondContact O-N 3.42Å; Q650-T654 PolarHBondContact O-OG1 3.24Å; L651-T654 WeakPolarHBondContact O-CB 3.46Å; L651-T654 PolarHBondContact O-N 2.71Å; T654-T658 HydrophobicContact CG2-CG2 4.31Å; T654-T658 WeakPolarHBondContact O-CB 3.31Å; T654-T658 WeakPolarHBondContact O-CG2 3.39Å; T654-T658 PolarHBondContact O-N 2.98Å; T654-T658 PolarHBondContact O-OG1 3.23Å; T654-A694 HydrophobicContact CG2-CB 4.18Å
655V97.2Very high94.4Very high29 Ų2962.7 Ų62.718%0.17631%0.311CS..Hα-helixtrans-66.1-35.8174.3168.90000112.2L651 Q653 R659 L691 A694 L695 I698L651-V655 WeakPolarHBondContact O-CG2 3.47Å; L651-V655 PolarHBondContact O-N 3.47Å; Q653-V655 VanDerWaalsContact C-N 3.27Å; Q653-V655 PolarHBondContact O-N 3.04Å; V655-R659 WeakPolarHBondContact O-CB 3.49Å; V655-R659 PolarHBondContact O-N 3.44Å; V655-L691 HydrophobicContact CB-CD1 4.29Å; V655-L691 HydrophobicContact CG1-CD1 3.95Å; V655-L691 HydrophobicContact CG2-CD1 4.23Å; V655-A694 HydrophobicContact CG2-CB 3.74Å; V655-L695 HydrophobicContact CG1-CD2 4.12Å; V655-L695 HydrophobicContact CG2-CD2 4.02Å; V655-L695 HydrophobicContact CG2-CG 4.24Å; V655-I698 HydrophobicContact CG2-CD1 4.11Å
656A97.3Very high94.1Very high44 Ų4466 Ų6636%0.36433%0.326SS..Hα-helixtrans-69.2-54.5173.700000111.1C652 Q653 T658 R659 E660C652-A656 PolarHBondContact O-N 2.89Å; Q653-A656 CarbonylContact O-C 3.58Å; Q653-A656 WeakPolarHBondContact O-CA 3.19Å; Q653-A656 WeakPolarHBondContact O-CB 3.35Å; Q653-A656 PolarHBondContact O-N 3.11Å; A656-T658 PolarHBondContact O-N 3.01Å; A656-R659 PolarHBondContact O-N 2.87Å; A656-R659 VanDerWaalsContact O-N 3.13Å; A656-E660 WeakPolarHBondContact O-CB 3.2Å; A656-E660 PolarHBondContact O-N 2.95Å
657D96.5Very high94Very high79 Ų7966.7 Ų66.742%0.42233%0.334SS..Hα-helixtrans-57.7-44.9-177.8-55.9-17.1000111.7Q653 F661Q653-D657 PolarHBondContact NE2-OD1 3.42Å; Q653-D657 PolarHBondContact O-N 3.4Å; D657-F661 WeakPolarHBondContact O-CB 3.43Å; D657-F661 PolarHBondContact O-N 3.02Å
658T96.6Very high93.7Very high8 Ų867.3 Ų67.35%0.04934%0.339CS..Hα-helixtrans-72-31.6178.953.60000112.8T654 A656 I662 V687 Q690T654-T658 HydrophobicContact CG2-CG2 4.31Å; T654-T658 WeakPolarHBondContact O-CB 3.31Å; T654-T658 WeakPolarHBondContact O-CG2 3.39Å; T654-T658 PolarHBondContact O-N 2.98Å; T654-T658 PolarHBondContact O-OG1 3.23Å; A656-T658 PolarHBondContact O-N 3.01Å; T658-I662 WeakPolarHBondContact O-CD1 3.21Å; T658-I662 VanDerWaalsContact O-CG1 3.23Å; T658-I662 WeakPolarHBondContact O-CG1 3.47Å; T658-I662 PolarHBondContact O-N 3.46Å; T658-V687 HydrophobicContact CG2-CG1 4.04Å; T658-Q690 HydrophobicContact CG2-CG 4.13Å
659R95.9Very high93Very high153 Ų15368.3 Ų68.358%0.57735%0.347SS*.Hα-helixtrans-70-45.7172.6178.3-179.8176.4165.43.9111.5V655 A656 F661 I662 Q663V655-R659 WeakPolarHBondContact O-CB 3.49Å; V655-R659 PolarHBondContact O-N 3.44Å; A656-R659 PolarHBondContact O-N 2.87Å; A656-R659 VanDerWaalsContact O-N 3.13Å; R659-F661 VanDerWaalsContact C-N 3.33Å; R659-I662 PolarHBondContact O-N 2.82Å; R659-Q663 WeakPolarHBondContact O-CG 3.48Å; R659-Q663 PolarHBondContact O-N 3.26Å
660E95.8Very high92.2Very high133 Ų13366.2 Ų66.262%0.62135%0.352SS*.Hα-helixtrans-62.3-42.3177.3-173.4172.1178.100110.4A656 Q663 S664A656-E660 WeakPolarHBondContact O-CB 3.2Å; A656-E660 PolarHBondContact O-N 2.95Å; E660-Q663 PolarHBondContact O-N 3.28Å; E660-S664 WeakPolarHBondContact O-CB 3.47Å; E660-S664 PolarHBondContact O-N 3.01Å; E660-S664 PolarHBondContact O-OG 3.13Å
661F95.4Very high91.5Very high76 Ų7668.5 Ų68.533%0.33336%0.362SS..Hα-helixtrans-56-52.7170.8-179.4-86.6000111.8D657 R659 Q663 S664 F665 L683 V687D657-F661 WeakPolarHBondContact O-CB 3.43Å; D657-F661 PolarHBondContact O-N 3.02Å; R659-F661 VanDerWaalsContact C-N 3.33Å; F661-Q663 VanDerWaalsContact C-N 3.29Å; F661-Q663 PolarHBondContact O-N 3.39Å; F661-S664 WeakPolarHBondContact CA-OG 3.2Å; F661-S664 PolarHBondContact O-N 2.92Å; F661-S664 PolarHBondContact O-OG 3.21Å; F661-F665 HydrophobicContact CE1-CB 4.21Å; F661-F665 HydrophobicContact CE1-CD2 4.1Å; F661-F665 HydrophobicContact CE1-CG 4.23Å; F661-F665 AromaticContact CZ-CD2 3.91Å; F661-F665 HydrophobicContact CZ-CD2 3.91Å; F661-F665 HydrophobicContact CZ-CE2 4.45Å; F661-F665 HydrophobicContact CZ-CG 4.48Å; F661-F665 VanDerWaalsContact O-CB 3.29Å; F661-F665 WeakPolarHBondContact O-CB 3.32Å; F661-F665 PolarHBondContact O-N 3.41Å; F661-L683 HydrophobicContact CZ-CD2 4.07Å; F661-L683 HydrophobicContact CZ-CG 4.38Å; F661-V687 HydrophobicContact CD1-CB 4.27Å; F661-V687 HydrophobicContact CD1-CG1 3.87Å; F661-V687 HydrophobicContact CD1-CG2 3.97Å; F661-V687 HydrophobicContact CE1-CB 4.47Å; F661-V687 HydrophobicContact CE1-CG2 3.87Å
662I93.4Very high90.5Very high16 Ų1674.6 Ų74.68%0.08239%0.388CS..Hα-helixtrans-57.8-42.6179.6-71.9164.1000111T658 R659 F665 E666 V687 R688 L691T658-I662 WeakPolarHBondContact O-CD1 3.21Å; T658-I662 VanDerWaalsContact O-CG1 3.23Å; T658-I662 WeakPolarHBondContact O-CG1 3.47Å; T658-I662 PolarHBondContact O-N 3.46Å; R659-I662 PolarHBondContact O-N 2.82Å; I662-F665 PolarHBondContact O-N 3.19Å; I662-E666 HydrophobicContact CG2-CG 4.39Å; I662-E666 VanDerWaalsContact CG2-OE1 3.26Å; I662-E666 WeakPolarHBondContact CG2-OE1 3.22Å; I662-E666 WeakPolarHBondContact O-CB 3.47Å; I662-E666 VanDerWaalsContact O-CG 3.3Å; I662-E666 WeakPolarHBondContact O-CG 3.31Å; I662-E666 PolarHBondContact O-N 2.98Å; I662-V687 HydrophobicContact CD1-CG1 4.05Å; I662-V687 HydrophobicContact CG1-CB 4.5Å; I662-V687 HydrophobicContact CG1-CG1 3.91Å; I662-R688 HydrophobicContact CD1-CG 3.78Å; I662-L691 HydrophobicContact CD1-CD2 3.9Å
663Q92.4Very high89.3Confident97 Ų9783.3 Ų83.345%0.45341%0.413SS..Hα-helixtrans-67.3-41.8178.7-70.4178.5-51.200112.7R659 E660 F661 T667R659-Q663 WeakPolarHBondContact O-CG 3.48Å; R659-Q663 PolarHBondContact O-N 3.26Å; E660-Q663 PolarHBondContact O-N 3.28Å; F661-Q663 VanDerWaalsContact C-N 3.29Å; F661-Q663 PolarHBondContact O-N 3.39Å; Q663-T667 WeakPolarHBondContact O-CG2 3.46Å; Q663-T667 PolarHBondContact O-N 3.4Å; Q663-T667 PolarHBondContact O-OG1 3.31Å
664S91.1Very high88.2Confident60 Ų6080 Ų8042%0.4241%0.408SS..Hα-helixtrans-63.8-40.1173.768.20000112.1E660 F661 T667 E668E660-S664 WeakPolarHBondContact O-CB 3.47Å; E660-S664 PolarHBondContact O-N 3.01Å; E660-S664 PolarHBondContact O-OG 3.13Å; F661-S664 WeakPolarHBondContact CA-OG 3.2Å; F661-S664 PolarHBondContact O-N 2.92Å; F661-S664 PolarHBondContact O-OG 3.21Å; S664-T667 WeakPolarHBondContact CA-OG1 3.39Å; S664-T667 PolarHBondContact O-N 2.8Å; S664-T667 PolarHBondContact O-OG1 3Å; S664-E668 WeakPolarHBondContact O-CB 3.26Å; S664-E668 PolarHBondContact O-N 3.41Å
665F88.9Confident87.2Confident24 Ų2484 Ų8411%0.10544%0.435CS..Hα-helixtrans-67.7-42.4178.5-164.6-101.2000112.6F661 I662 E668 A669 Y676 D680 L683 Q684F661-F665 HydrophobicContact CE1-CB 4.21Å; F661-F665 HydrophobicContact CE1-CD2 4.1Å; F661-F665 HydrophobicContact CE1-CG 4.23Å; F661-F665 AromaticContact CZ-CD2 3.91Å; F661-F665 HydrophobicContact CZ-CD2 3.91Å; F661-F665 HydrophobicContact CZ-CE2 4.45Å; F661-F665 HydrophobicContact CZ-CG 4.48Å; F661-F665 VanDerWaalsContact O-CB 3.29Å; F661-F665 WeakPolarHBondContact O-CB 3.32Å; F661-F665 PolarHBondContact O-N 3.41Å; I662-F665 PolarHBondContact O-N 3.19Å; F665-E668 PolarHBondContact O-N 3.16Å; F665-A669 WeakPolarHBondContact O-CB 3.21Å; F665-A669 PolarHBondContact O-N 2.96Å; F665-Y676 HydrophobicContact CD1-CE1 4.05Å; F665-Y676 AromaticContact CE1-CD1 3.98Å; F665-Y676 HydrophobicContact CE1-CD1 3.98Å; F665-Y676 AromaticContact CE1-CE1 3.83Å; F665-Y676 HydrophobicContact CE1-CE1 3.83Å; F665-D680 HydrophobicContact CE1-CB 4.14Å; F665-D680 HydrophobicContact CZ-CB 3.66Å; F665-L683 HydrophobicContact CE2-CD2 3.97Å; F665-L683 HydrophobicContact CZ-CD2 4.32Å; F665-Q684 HydrophobicContact CD1-CG 4.29Å; F665-Q684 HydrophobicContact CE1-CB 4.13Å; F665-Q684 HydrophobicContact CE1-CG 4.33Å
666E86.3Confident86.5Confident70 Ų7086.5 Ų86.533%0.32744%0.442SS..Hα-helixtrans-67.9-34.2175.8-71.9167.9179.700111.7I662 A670 R688I662-E666 HydrophobicContact CG2-CG 4.39Å; I662-E666 VanDerWaalsContact CG2-OE1 3.26Å; I662-E666 WeakPolarHBondContact CG2-OE1 3.22Å; I662-E666 WeakPolarHBondContact O-CB 3.47Å; I662-E666 VanDerWaalsContact O-CG 3.3Å; I662-E666 WeakPolarHBondContact O-CG 3.31Å; I662-E666 PolarHBondContact O-N 2.98Å; E666-A670 WeakPolarHBondContact O-CB 3.47Å; E666-A670 PolarHBondContact O-N 2.76Å; E666-R688 IonicContact OE1-CZ 2.67Å; E666-R688 IonicContact OE1-NH2 3.9Å; E666-R688 PolarHBondContact OE1-NH2 3.44Å
667T86.5Confident86.1Confident79 Ų7987.9 Ų87.949%0.48545%0.446SS..Hα-helixtrans-74.7-37173.750.40000113.4Q663 S664 A670 Q671Q663-T667 WeakPolarHBondContact O-CG2 3.46Å; Q663-T667 PolarHBondContact O-N 3.4Å; Q663-T667 PolarHBondContact O-OG1 3.31Å; S664-T667 WeakPolarHBondContact CA-OG1 3.39Å; S664-T667 PolarHBondContact O-N 2.8Å; S664-T667 PolarHBondContact O-OG1 3Å; T667-A670 PolarHBondContact O-N 2.91Å; T667-Q671 WeakPolarHBondContact O-CG 3.49Å; T667-Q671 PolarHBondContact O-N 3.4Å
668E85.9Confident85.7Confident91 Ų9188.9 Ų88.943%0.42546%0.459SS..Hα-helixtrans-65.7-40.6175.6-172.8178.617100111.5S664 F665 Q671 K672S664-E668 WeakPolarHBondContact O-CB 3.26Å; S664-E668 PolarHBondContact O-N 3.41Å; F665-E668 PolarHBondContact O-N 3.16Å; E668-Q671 PolarHBondContact O-N 3.36Å; E668-K672 HydrophobicContact CG-CD 4.25Å; E668-K672 WeakPolarHBondContact O-CB 3.45Å; E668-K672 WeakPolarHBondContact O-CG 3.42Å; E668-K672 PolarHBondContact O-N 2.95Å; E668-K672 WeakPolarHBondContact OE1-CE 3.22Å; E668-K672 IonicContact OE1-NZ 3.64Å; E668-K672 PolarHBondContact OE1-NZ 3.04Å
669A80.4Confident85.4Confident21 Ų2195.8 Ų95.817%0.17449%0.49CS..Hα-helixtrans-62.7-43.2173.400000112.2F665 Q671 K672 R673 Y676F665-A669 WeakPolarHBondContact O-CB 3.21Å; F665-A669 PolarHBondContact O-N 2.96Å; A669-Q671 PolarHBondContact O-N 3.36Å; A669-K672 PolarHBondContact O-N 3.17Å; A669-R673 PolarHBondContact O-N 3.11Å; A669-R673 VanDerWaalsContact O-N 3.15Å; A669-Y676 HydrophobicContact CB-CD1 4.08Å; A669-Y676 HydrophobicContact CB-CE1 3.34Å
670A76.9Confident85.1Confident73 Ų7390.9 Ų90.960%0.60348%0.476SS*.Hα-helixtrans-61.6-40.4175.400000112.6E666 T667 R673E666-A670 WeakPolarHBondContact O-CB 3.47Å; E666-A670 PolarHBondContact O-N 2.76Å; T667-A670 PolarHBondContact O-N 2.91Å; A670-R673 PolarHBondContact O-N 2.92Å
671Q78.8Confident84.9Confident162 Ų16288.2 Ų88.276%0.75747%0.466SS*.Hα-helixtrans-66-38175-72.6172.818.900112.5T667 E668 A669 R673T667-Q671 WeakPolarHBondContact O-CG 3.49Å; T667-Q671 PolarHBondContact O-N 3.4Å; E668-Q671 PolarHBondContact O-N 3.36Å; A669-Q671 PolarHBondContact O-N 3.36Å; Q671-R673 VanDerWaalsContact C-N 3.31Å; Q671-R673 PolarHBondContact O-N 3.27Å
672K76.4Confident84.8Confident143 Ų14387 Ų8762%0.62247%0.466SS*.Hα-helixtrans-76.4-11.2179.6-72.6178.1-177.1173.90114.5E668 A669 G674E668-K672 HydrophobicContact CG-CD 4.25Å; E668-K672 WeakPolarHBondContact O-CB 3.45Å; E668-K672 WeakPolarHBondContact O-CG 3.42Å; E668-K672 PolarHBondContact O-N 2.95Å; E668-K672 WeakPolarHBondContact OE1-CE 3.22Å; E668-K672 IonicContact OE1-NZ 3.64Å; E668-K672 PolarHBondContact OE1-NZ 3.04Å; A669-K672 PolarHBondContact O-N 3.17Å; K672-G674 PolarHBondContact O-N 3.49Å
673R69.6Low84.8Confident240 Ų24088.9 Ų88.991%0.90648%0.476SS*.THydrogen-bonded Turntrans5217.5179.4-81-169.8172.1-168-0.8115.8A669 A670 Q671A669-R673 PolarHBondContact O-N 3.11Å; A669-R673 VanDerWaalsContact O-N 3.15Å; A670-R673 PolarHBondContact O-N 2.92Å; Q671-R673 VanDerWaalsContact C-N 3.31Å; Q671-R673 PolarHBondContact O-N 3.27Å
674G73.4Confident84.8Confident41 Ų4184.8 Ų84.842%0.42346%0.457SS..SBendtrans-101.5151.7178.600000112.3K672K672-G674 PolarHBondContact O-N 3.49Å
675P76.1Confident84.9Confident124 Ų12488 Ų8881%0.80547%0.466SS*.PPolyproline II helixtrans-63.1142.8165.129.2-34000110T677P675-T677 PolarHBondContact O-N 2.85Å
676Y83.2Confident85.3Confident83 Ų8394.1 Ų94.133%0.32549%0.488SS..PPolyproline II helixtrans-55.7134.8175.6-66.5-81.1000111F665 A669 D680 L681F665-Y676 HydrophobicContact CD1-CE1 4.05Å; F665-Y676 AromaticContact CE1-CD1 3.98Å; F665-Y676 HydrophobicContact CE1-CD1 3.98Å; F665-Y676 AromaticContact CE1-CE1 3.83Å; F665-Y676 HydrophobicContact CE1-CE1 3.83Å; A669-Y676 HydrophobicContact CB-CD1 4.08Å; A669-Y676 HydrophobicContact CB-CE1 3.34Å; Y676-D680 HydrophobicContact CD1-CB 4.13Å; Y676-L681 HydrophobicContact CD2-CD2 4.35Å; Y676-L681 HydrophobicContact CG-CD2 4.17Å
677T89.3Confident85.8Confident72 Ų7291.5 Ų91.544%0.44248%0.477SS..PPolyproline II helixtrans-69.3162.1171.972.60000110.7P675 Q679 D680 L681P675-T677 PolarHBondContact O-N 2.85Å; T677-Q679 PolarHBondContact O-N 3.11Å; T677-Q679 PolarHBondContact OG1-N 2.82Å; T677-D680 VanDerWaalsContact CB-OD2 3.27Å; T677-D680 WeakPolarHBondContact CB-OD2 3.11Å; T677-D680 WeakPolarHBondContact CG2-OD2 3.45Å; T677-D680 PolarHBondContact N-OD2 3.05Å; T677-D680 WeakPolarHBondContact O-CB 3.47Å; T677-D680 PolarHBondContact O-N 2.89Å; T677-D680 VanDerWaalsContact O-N 3.07Å; T677-D680 PolarHBondContact OG1-N 3.49Å; T677-D680 VanDerWaalsContact OG1-N 3.11Å; T677-D680 PolarHBondContact OG1-OD2 3.22Å; T677-L681 WeakPolarHBondContact O-CG 3.5Å; T677-L681 PolarHBondContact O-N 3.04Å
678S86.9Confident86.2Confident100 Ų10091.5 Ų91.570%0.69947%0.468SS*.Hα-helixtrans-59.6-28173.453.20000113S682S678-S682 WeakPolarHBondContact O-CB 3.22Å; S678-S682 PolarHBondContact O-N 2.93Å; S678-S682 VanDerWaalsContact O-N 3.14Å
679Q90.9Very high86.7Confident153 Ų15389.5 Ų89.572%0.71547%0.467SS*.Hα-helixtrans-73.1-40.2174-59.2-173.510.100111.6T677 S682 L683T677-Q679 PolarHBondContact O-N 3.11Å; T677-Q679 PolarHBondContact OG1-N 2.82Å; Q679-S682 PolarHBondContact O-N 3.13Å; Q679-L683 WeakPolarHBondContact O-CB 3.48Å; Q679-L683 PolarHBondContact O-N 3.32Å
680D90.6Very high87.5Confident51 Ų5193.3 Ų93.327%0.27348%0.481SS..Hα-helixtrans-63.9-45175.6-65.2-47.1000111.7F665 Y676 T677 L683 Q684F665-D680 HydrophobicContact CE1-CB 4.14Å; F665-D680 HydrophobicContact CZ-CB 3.66Å; Y676-D680 HydrophobicContact CD1-CB 4.13Å; T677-D680 VanDerWaalsContact CB-OD2 3.27Å; T677-D680 WeakPolarHBondContact CB-OD2 3.11Å; T677-D680 WeakPolarHBondContact CG2-OD2 3.45Å; T677-D680 PolarHBondContact N-OD2 3.05Å; T677-D680 WeakPolarHBondContact O-CB 3.47Å; T677-D680 PolarHBondContact O-N 2.89Å; T677-D680 VanDerWaalsContact O-N 3.07Å; T677-D680 PolarHBondContact OG1-N 3.49Å; T677-D680 VanDerWaalsContact OG1-N 3.11Å; T677-D680 PolarHBondContact OG1-OD2 3.22Å; D680-L683 WeakPolarHBondContact O-CB 3.28Å; D680-L683 PolarHBondContact O-N 2.93Å; D680-Q684 WeakPolarHBondContact O-CB 3.32Å; D680-Q684 PolarHBondContact O-N 2.88Å
681L89.9Confident88.4Confident77 Ų7791.4 Ų91.440%0.40346%0.461SS..Hα-helixtrans-59.2-48.1174.8-67.7174.1000110.8Y676 T677 L683 Q684 E685Y676-L681 HydrophobicContact CD2-CD2 4.35Å; Y676-L681 HydrophobicContact CG-CD2 4.17Å; T677-L681 WeakPolarHBondContact O-CG 3.5Å; T677-L681 PolarHBondContact O-N 3.04Å; L681-L683 VanDerWaalsContact C-N 3.29Å; L681-L683 PolarHBondContact O-N 3.31Å; L681-Q684 PolarHBondContact O-N 2.82Å; L681-E685 WeakPolarHBondContact O-CB 3.47Å; L681-E685 WeakPolarHBondContact O-CG 3.41Å; L681-E685 PolarHBondContact O-N 3.32Å
682S93.9Very high89.3Confident50 Ų5090.5 Ų90.535%0.3545%0.451SS..Hα-helixtrans-63.1-31.2176.6-177.60000113.4S678 Q679 R686S678-S682 WeakPolarHBondContact O-CB 3.22Å; S678-S682 PolarHBondContact O-N 2.93Å; S678-S682 VanDerWaalsContact O-N 3.14Å; Q679-S682 PolarHBondContact O-N 3.13Å; S682-R686 VanDerWaalsContact O-CG 3.31Å; S682-R686 WeakPolarHBondContact O-CG 3.39Å; S682-R686 PolarHBondContact O-N 3.47Å; S682-R686 PolarHBondContact O-NE 2.77Å
683L94.3Very high90.3Very high56 Ų5686 Ų8629%0.29344%0.44SS..Hα-helixtrans-70.5-47.6172-179.758.5000111.2F661 F665 Q679 D680 L681 E685 R686 V687F661-L683 HydrophobicContact CZ-CD2 4.07Å; F661-L683 HydrophobicContact CZ-CG 4.38Å; F665-L683 HydrophobicContact CE2-CD2 3.97Å; F665-L683 HydrophobicContact CZ-CD2 4.32Å; Q679-L683 WeakPolarHBondContact O-CB 3.48Å; Q679-L683 PolarHBondContact O-N 3.32Å; D680-L683 WeakPolarHBondContact O-CB 3.28Å; D680-L683 PolarHBondContact O-N 2.93Å; L681-L683 VanDerWaalsContact C-N 3.29Å; L681-L683 PolarHBondContact O-N 3.31Å; L683-E685 VanDerWaalsContact C-N 3.33Å; L683-E685 PolarHBondContact O-N 3.3Å; L683-R686 PolarHBondContact O-N 3.48Å; L683-V687 HydrophobicContact CD1-CG2 4.26Å; L683-V687 WeakPolarHBondContact O-CG2 3.45Å; L683-V687 PolarHBondContact O-N 3.26Å
684Q91.6Very high91.6Very high10 Ų1074.9 Ų74.95%0.04740%0.399CS..Hα-helixtrans-61.6-39.4179.6-158.3-175.159.800111.6F665 D680 L681 R688F665-Q684 HydrophobicContact CD1-CG 4.29Å; F665-Q684 HydrophobicContact CE1-CB 4.13Å; F665-Q684 HydrophobicContact CE1-CG 4.33Å; D680-Q684 WeakPolarHBondContact O-CB 3.32Å; D680-Q684 PolarHBondContact O-N 2.88Å; L681-Q684 PolarHBondContact O-N 2.82Å; Q684-R688 VanDerWaalsContact O-CB 3.29Å; Q684-R688 WeakPolarHBondContact O-CB 3.34Å; Q684-R688 VanDerWaalsContact O-CG 3.24Å; Q684-R688 WeakPolarHBondContact O-CG 3.18Å; Q684-R688 PolarHBondContact O-N 2.95Å; Q684-R688 VanDerWaalsContact OE1-CZ 3.29Å
685E93.8Very high92.7Very high129 Ų12977 Ų7760%0.60340%0.4SS*.Hα-helixtrans-61.7-47.5171.8-76.2-178.7157.600112.6L681 L683 R688 A689L681-E685 WeakPolarHBondContact O-CB 3.47Å; L681-E685 WeakPolarHBondContact O-CG 3.41Å; L681-E685 PolarHBondContact O-N 3.32Å; L683-E685 VanDerWaalsContact C-N 3.33Å; L683-E685 PolarHBondContact O-N 3.3Å; E685-R688 PolarHBondContact O-N 2.92Å; E685-A689 WeakPolarHBondContact O-CB 3.48Å; E685-A689 PolarHBondContact O-N 2.89Å
686R96.1Very high93.8Very high151 Ų15178.7 Ų78.757%0.5739%0.392SS*.Hα-helixtrans-63.5-42.2179.1-77177.4-69.1151.4-1.1112.2S682 L683 A689 Q690S682-R686 VanDerWaalsContact O-CG 3.31Å; S682-R686 WeakPolarHBondContact O-CG 3.39Å; S682-R686 PolarHBondContact O-N 3.47Å; S682-R686 PolarHBondContact O-NE 2.77Å; L683-R686 PolarHBondContact O-N 3.48Å; R686-A689 PolarHBondContact O-N 2.71Å; R686-Q690 PolarHBondContact O-N 3.46Å
687V96.9Very high94.4Very high16 Ų1678.2 Ų78.210%0.09740%0.395CS..Hα-helixtrans-70.5-38.1176.9-177.10000111.3T658 F661 I662 L683 A689 Q690 L691T658-V687 HydrophobicContact CG2-CG1 4.04Å; F661-V687 HydrophobicContact CD1-CB 4.27Å; F661-V687 HydrophobicContact CD1-CG1 3.87Å; F661-V687 HydrophobicContact CD1-CG2 3.97Å; F661-V687 HydrophobicContact CE1-CB 4.47Å; F661-V687 HydrophobicContact CE1-CG2 3.87Å; I662-V687 HydrophobicContact CD1-CG1 4.05Å; I662-V687 HydrophobicContact CG1-CB 4.5Å; I662-V687 HydrophobicContact CG1-CG1 3.91Å; L683-V687 HydrophobicContact CD1-CG2 4.26Å; L683-V687 WeakPolarHBondContact O-CG2 3.45Å; L683-V687 PolarHBondContact O-N 3.26Å; V687-A689 VanDerWaalsContact C-N 3.31Å; V687-A689 PolarHBondContact O-N 2.79Å; V687-Q690 PolarHBondContact O-N 3.46Å; V687-L691 WeakPolarHBondContact O-CB 3.42Å; V687-L691 PolarHBondContact O-N 3.31Å
688R94.7Very high94.7Very high78 Ų7876.5 Ų76.529%0.29438%0.382SS..Hα-helixtrans-63.8-34.9171.3-75174.6-179.4147.12.8112.2I662 E666 Q684 E685 R692I662-R688 HydrophobicContact CD1-CG 3.78Å; E666-R688 IonicContact OE1-CZ 2.67Å; E666-R688 IonicContact OE1-NH2 3.9Å; E666-R688 PolarHBondContact OE1-NH2 3.44Å; Q684-R688 VanDerWaalsContact O-CB 3.29Å; Q684-R688 WeakPolarHBondContact O-CB 3.34Å; Q684-R688 VanDerWaalsContact O-CG 3.24Å; Q684-R688 WeakPolarHBondContact O-CG 3.18Å; Q684-R688 PolarHBondContact O-N 2.95Å; Q684-R688 VanDerWaalsContact OE1-CZ 3.29Å; E685-R688 PolarHBondContact O-N 2.92Å; R688-R692 VanDerWaalsContact O-CG 3.26Å; R688-R692 WeakPolarHBondContact O-CG 3.2Å; R688-R692 PolarHBondContact O-N 3.44Å
689A96.4Very high95.1Very high49 Ų4975.7 Ų75.741%0.40537%0.367SS..Hα-helixtrans-67.1-42.4172.800000112E685 R686 V687 R692 A693E685-A689 WeakPolarHBondContact O-CB 3.48Å; E685-A689 PolarHBondContact O-N 2.89Å; R686-A689 PolarHBondContact O-N 2.71Å; V687-A689 VanDerWaalsContact C-N 3.31Å; V687-A689 PolarHBondContact O-N 2.79Å; A689-R692 PolarHBondContact O-N 3.17Å; A689-A693 WeakPolarHBondContact O-CB 3.45Å; A689-A693 PolarHBondContact O-N 3.21Å
690Q96.9Very high95.3Very high101 Ų10171.7 Ų71.747%0.47235%0.349SS..Hα-helixtrans-62-43.2174-175.5179.9-11.300112.1T658 R686 V687 A693 A694T658-Q690 HydrophobicContact CG2-CG 4.13Å; R686-Q690 PolarHBondContact O-N 3.46Å; V687-Q690 PolarHBondContact O-N 3.46Å; Q690-A693 PolarHBondContact O-N 3.09Å; Q690-A694 WeakPolarHBondContact O-CB 3.45Å; Q690-A694 PolarHBondContact O-N 3.17Å
691L97.4Very high95.5Very high34 Ų3469.3 Ų69.318%0.17834%0.336CS..Hα-helixtrans-61.3-44.9174.8174.259.1000111.5V655 I662 V687 A694 L695V655-L691 HydrophobicContact CB-CD1 4.29Å; V655-L691 HydrophobicContact CG1-CD1 3.95Å; V655-L691 HydrophobicContact CG2-CD1 4.23Å; I662-L691 HydrophobicContact CD1-CD2 3.9Å; V687-L691 WeakPolarHBondContact O-CB 3.42Å; V687-L691 PolarHBondContact O-N 3.31Å; L691-A694 PolarHBondContact O-N 3.47Å; L691-L695 HydrophobicContact CD1-CD1 4.05Å; L691-L695 HydrophobicContact CD1-CG 4.27Å; L691-L695 HydrophobicContact CG-CD1 4.17Å; L691-L695 VanDerWaalsContact O-CG 3.29Å; L691-L695 WeakPolarHBondContact O-CG 3.45Å; L691-L695 PolarHBondContact O-N 3.27Å
692R97.5Very high95.6Very high143 Ų14367.1 Ų67.154%0.5432%0.323SS..Hα-helixtrans-60.1-48.2174.5-72.3169.8-169.5137.9-3.4111.6R688 A689 A694 L695 Y696R688-R692 VanDerWaalsContact O-CG 3.26Å; R688-R692 WeakPolarHBondContact O-CG 3.2Å; R688-R692 PolarHBondContact O-N 3.44Å; A689-R692 PolarHBondContact O-N 3.17Å; R692-A694 VanDerWaalsContact C-N 3.35Å; R692-A694 PolarHBondContact O-N 2.91Å; R692-L695 PolarHBondContact O-N 3.31Å; R692-L695 VanDerWaalsContact O-N 3.17Å; R692-Y696 HydrophobicContact CB-CD2 4.45Å; R692-Y696 HydrophobicContact CB-CE2 4.25Å; R692-Y696 WeakPolarHBondContact O-CD2 3.34Å; R692-Y696 PolarHBondContact O-N 3.1Å
693A97.4Very high95.6Very high49 Ų4971.8 Ų71.841%0.40534%0.337SS..Hα-helixtrans-58.4-45.9177.400000111.6A689 Q690 L695 Y696 D697A689-A693 WeakPolarHBondContact O-CB 3.45Å; A689-A693 PolarHBondContact O-N 3.21Å; Q690-A693 PolarHBondContact O-N 3.09Å; A693-L695 VanDerWaalsContact C-N 3.28Å; A693-L695 PolarHBondContact O-N 2.85Å; A693-Y696 PolarHBondContact O-N 3.08Å; A693-Y696 VanDerWaalsContact O-N 3.16Å; A693-D697 PolarHBondContact O-N 2.87Å
694A97.2Very high95.5Very high5 Ų575 Ų754%0.04135%0.351CS..Hα-helixtrans-62.9-33.1177.400000113.1L651 T654 V655 Q690 L691 R692 I698L651-A694 HydrophobicContact CD1-CB 3.84Å; L651-A694 WeakPolarHBondContact CG-O 3.18Å; T654-A694 HydrophobicContact CG2-CB 4.18Å; V655-A694 HydrophobicContact CG2-CB 3.74Å; Q690-A694 WeakPolarHBondContact O-CB 3.45Å; Q690-A694 PolarHBondContact O-N 3.17Å; L691-A694 PolarHBondContact O-N 3.47Å; R692-A694 VanDerWaalsContact C-N 3.35Å; R692-A694 PolarHBondContact O-N 2.91Å; A694-I698 WeakPolarHBondContact O-CG1 3.37Å; A694-I698 PolarHBondContact O-N 3.33Å
695L96.5Very high95.5Very high85 Ų8575.8 Ų75.845%0.44536%0.356SS..Hα-helixtrans-73.4-37.6173.5-69.6168.5000112.5V655 L691 R692 A693 I698 H699V655-L695 HydrophobicContact CG1-CD2 4.12Å; V655-L695 HydrophobicContact CG2-CD2 4.02Å; V655-L695 HydrophobicContact CG2-CG 4.24Å; L691-L695 HydrophobicContact CD1-CD1 4.05Å; L691-L695 HydrophobicContact CD1-CG 4.27Å; L691-L695 HydrophobicContact CG-CD1 4.17Å; L691-L695 VanDerWaalsContact O-CG 3.29Å; L691-L695 WeakPolarHBondContact O-CG 3.45Å; L691-L695 PolarHBondContact O-N 3.27Å; R692-L695 PolarHBondContact O-N 3.31Å; R692-L695 VanDerWaalsContact O-N 3.17Å; A693-L695 VanDerWaalsContact C-N 3.28Å; A693-L695 PolarHBondContact O-N 2.85Å; L695-I698 PolarHBondContact O-N 2.81Å; L695-H699 PolarHBondContact O-N 3.27Å
696Y97.4Very high95.5Very high161 Ų16173 Ų7363%0.63135%0.348SS*.Hα-helixtrans-65.2-41.4172.9-73.6-59.2000111.9R692 A693 I698 H699 E700R692-Y696 HydrophobicContact CB-CD2 4.45Å; R692-Y696 HydrophobicContact CB-CE2 4.25Å; R692-Y696 WeakPolarHBondContact O-CD2 3.34Å; R692-Y696 PolarHBondContact O-N 3.1Å; A693-Y696 PolarHBondContact O-N 3.08Å; A693-Y696 VanDerWaalsContact O-N 3.16Å; Y696-I698 PolarHBondContact O-N 3.4Å; Y696-H699 CarbonylContact O-C 3.59Å; Y696-H699 WeakPolarHBondContact O-CA 3.46Å; Y696-H699 WeakPolarHBondContact O-CB 3.32Å; Y696-H699 PolarHBondContact O-N 3.45Å; Y696-E700 WeakPolarHBondContact O-CB 3.47Å; Y696-E700 PolarHBondContact O-N 2.95Å
697D96.3Very high95.3Very high73 Ų7371.3 Ų71.339%0.3935%0.35SS..Hα-helixtrans-59.8-31.3172.9-78.63.9000112.2L651 A693 I701L651-D697 HydrophobicContact CD1-CB 3.88Å; L651-D697 HydrophobicContact CD2-CB 3.45Å; L651-D697 VanDerWaalsContact CD2-CB 3.45Å; L651-D697 HydrophobicContact CG-CB 4.24Å; A693-D697 PolarHBondContact O-N 2.87Å; D697-I701 WeakPolarHBondContact O-CD1 3.32Å; D697-I701 WeakPolarHBondContact O-CG1 3.47Å; D697-I701 PolarHBondContact O-N 3.41Å
698I95.4Very high95.1Very high35 Ų3580.3 Ų80.318%0.17938%0.382CS..Hα-helixtrans-71.5-44.6172.4-66.4172000109.9L648 L651 V655 A694 L695 Y696 I701 F702L648-I698 HydrophobicContact CD2-CB 4.5Å; L648-I698 HydrophobicContact CD2-CG1 4.01Å; L648-I698 HydrophobicContact CD2-CG2 4.3Å; L651-I698 HydrophobicContact CB-CG1 4.48Å; L651-I698 HydrophobicContact CD2-CB 4.38Å; L651-I698 HydrophobicContact CD2-CD1 4.47Å; L651-I698 HydrophobicContact CD2-CG1 3.44Å; L651-I698 VanDerWaalsContact CD2-CG1 3.44Å; L651-I698 HydrophobicContact CG-CD1 4.27Å; L651-I698 HydrophobicContact CG-CG1 3.74Å; V655-I698 HydrophobicContact CG2-CD1 4.11Å; A694-I698 WeakPolarHBondContact O-CG1 3.37Å; A694-I698 PolarHBondContact O-N 3.33Å; L695-I698 PolarHBondContact O-N 2.81Å; Y696-I698 PolarHBondContact O-N 3.4Å; I698-I701 PolarHBondContact O-N 3.31Å; I698-F702 HydrophobicContact CG2-CD2 3.94Å; I698-F702 HydrophobicContact CG2-CE2 4.22Å; I698-F702 WeakPolarHBondContact O-CD2 3.41Å; I698-F702 PolarHBondContact O-N 2.92Å
699H95.7Very high95.1Very high83 Ų8380.3 Ų80.338%0.38439%0.388SS..Hα-helixtrans-58.9-48.5178.1-176.1-90.9000111.3L695 Y696 I701 F702 F703 E704L695-H699 PolarHBondContact O-N 3.27Å; Y696-H699 CarbonylContact O-C 3.59Å; Y696-H699 WeakPolarHBondContact O-CA 3.46Å; Y696-H699 WeakPolarHBondContact O-CB 3.32Å; Y696-H699 PolarHBondContact O-N 3.45Å; H699-I701 VanDerWaalsContact C-N 3.34Å; H699-I701 PolarHBondContact O-N 3.29Å; H699-F702 PolarHBondContact O-N 3.41Å; H699-F702 VanDerWaalsContact O-N 3.14Å; H699-F703 HydrophobicContact CB-CD2 4.5Å; H699-F703 AromaticContact CD2-CD2 3.36Å; H699-F703 WeakPolarHBondContact CD2-CD2 3.46Å; H699-F703 AromaticContact CD2-CE2 3.96Å; H699-F703 AromaticContact CG-CD2 3.9Å; H699-F703 AromaticContact NE2-CD2 3.65Å; H699-F703 AromaticContact NE2-CG 3.86Å; H699-F703 WeakPolarHBondContact O-CB 3.49Å; H699-F703 WeakPolarHBondContact O-CD2 3.33Å; H699-F703 PolarHBondContact O-N 2.86Å; H699-E704 IonicContact CE1-OE1 2.65Å; H699-E704 PolarHBondContact CE1-OE1 3.27Å; H699-E704 IonicContact CG-OE1 2.91Å; H699-E704 IonicContact ND1-OE1 3.36Å; H699-E704 PolarHBondContact ND1-OE1 3.47Å
700E95.5Very high94.9Very high70 Ų7081 Ų8133%0.32738%0.381SS..Iπ-helixtrans-47.1-56.3174.7-170.7-137.4-17100110.2K647 Y696 F702 E704 I705K647-E700 IonicContact NZ-OE2 2.9Å; K647-E700 PolarHBondContact NZ-OE2 2.86Å; Y696-E700 WeakPolarHBondContact O-CB 3.47Å; Y696-E700 PolarHBondContact O-N 2.95Å; E700-F702 VanDerWaalsContact C-N 3.32Å; E700-F702 PolarHBondContact O-N 3.42Å; E700-E704 PolarHBondContact O-N 3.27Å; E700-I705 HydrophobicContact CG-CD1 4.29Å; E700-I705 HydrophobicContact CG-CG1 3.94Å; E700-I705 WeakPolarHBondContact O-CG1 3.2Å; E700-I705 PolarHBondContact O-N 2.97Å
701I94.1Very high94.7Very high0 Ų080 Ų800%038%0.377CS..Iπ-helixtrans-61.2-35.2-176.4-63.1159.9000113.3L642 K647 L648 L651 D697 I698 H699 I705 R710L642-I701 HydrophobicContact CD2-CG2 3.78Å; L642-I701 HydrophobicContact CG-CG2 4.23Å; K647-I701 HydrophobicContact CD-CD1 3.57Å; K647-I701 HydrophobicContact CD-CG1 4.2Å; K647-I701 HydrophobicContact CG-CD1 4.13Å; L648-I701 HydrophobicContact CD1-CG2 3.83Å; L648-I701 HydrophobicContact CD2-CD1 3.82Å; L648-I701 HydrophobicContact CG-CD1 3.88Å; L648-I701 HydrophobicContact CG-CG2 4.35Å; L651-I701 HydrophobicContact CD2-CD1 4.06Å; D697-I701 WeakPolarHBondContact O-CD1 3.32Å; D697-I701 WeakPolarHBondContact O-CG1 3.47Å; D697-I701 PolarHBondContact O-N 3.41Å; I698-I701 PolarHBondContact O-N 3.31Å; H699-I701 VanDerWaalsContact C-N 3.34Å; H699-I701 PolarHBondContact O-N 3.29Å; I701-I705 HydrophobicContact CG1-CD1 4.1Å; I701-R710 WeakPolarHBondContact O-CD 3.02Å; I701-R710 WeakPolarHBondContact O-CG 3.24Å
702F93.4Very high94.5Very high32 Ų3280.8 Ų80.814%0.1439%0.389CS..Iπ-helixtrans-93.9-28-175.4-80-72.5000114.7T639 L642 L643 L648 I698 H699 E700 R710T639-F702 HydrophobicContact CG2-CE1 3.97Å; L642-F702 HydrophobicContact CB-CE1 4.23Å; L642-F702 HydrophobicContact CB-CZ 4.25Å; L642-F702 HydrophobicContact CD2-CD1 4.08Å; L642-F702 HydrophobicContact CD2-CE1 3.63Å; L642-F702 HydrophobicContact CD2-CZ 4Å; L642-F702 HydrophobicContact CG-CE1 4.39Å; L642-F702 HydrophobicContact CG-CZ 4.39Å; L643-F702 HydrophobicContact CD2-CE2 3.78Å; L643-F702 HydrophobicContact CD2-CZ 3.56Å; L643-F702 HydrophobicContact CG-CZ 3.81Å; L648-F702 HydrophobicContact CD1-CE2 3.56Å; L648-F702 HydrophobicContact CD1-CZ 3.64Å; L648-F702 HydrophobicContact CD2-CE2 3.84Å; L648-F702 HydrophobicContact CG-CE2 4.39Å; I698-F702 HydrophobicContact CG2-CD2 3.94Å; I698-F702 HydrophobicContact CG2-CE2 4.22Å; I698-F702 WeakPolarHBondContact O-CD2 3.41Å; I698-F702 PolarHBondContact O-N 2.92Å; H699-F702 PolarHBondContact O-N 3.41Å; H699-F702 VanDerWaalsContact O-N 3.14Å; E700-F702 VanDerWaalsContact C-N 3.32Å; E700-F702 PolarHBondContact O-N 3.42Å; F702-R710 VanDerWaalsContact O-CZ 3.26Å; F702-R710 PolarHBondContact O-NH1 3.43Å; F702-R710 PolarHBondContact O-NH2 3.33Å
703F92.7Very high94.3Very high147 Ų14775.7 Ų75.765%0.64537%0.373SS*.Iπ-helixtrans-118.6-38.7-170.2-59.1-76.3000113H699H699-F703 HydrophobicContact CB-CD2 4.5Å; H699-F703 AromaticContact CD2-CD2 3.36Å; H699-F703 WeakPolarHBondContact CD2-CD2 3.46Å; H699-F703 AromaticContact CD2-CE2 3.96Å; H699-F703 AromaticContact CG-CD2 3.9Å; H699-F703 AromaticContact NE2-CD2 3.65Å; H699-F703 AromaticContact NE2-CG 3.86Å; H699-F703 WeakPolarHBondContact O-CB 3.49Å; H699-F703 WeakPolarHBondContact O-CD2 3.33Å; H699-F703 PolarHBondContact O-N 2.86Å
704E93.1Very high94Very high123 Ų12374 Ų7458%0.57536%0.357SS*.Iπ-helixtrans-96.9-45.1-172.9-60.8166.6-127.100112.8H699 E700H699-E704 IonicContact CE1-OE1 2.65Å; H699-E704 PolarHBondContact CE1-OE1 3.27Å; H699-E704 IonicContact CG-OE1 2.91Å; H699-E704 IonicContact ND1-OE1 3.36Å; H699-E704 PolarHBondContact ND1-OE1 3.47Å; E700-E704 PolarHBondContact O-N 3.27Å
705I92.1Very high93.8Very high28 Ų2877.5 Ų77.514%0.14437%0.372CS..SBendtrans-59.5126.9178.9-67-169.1000109.5E700 I701 D709 R710E700-I705 HydrophobicContact CG-CD1 4.29Å; E700-I705 HydrophobicContact CG-CG1 3.94Å; E700-I705 WeakPolarHBondContact O-CG1 3.2Å; E700-I705 PolarHBondContact O-N 2.97Å; I701-I705 HydrophobicContact CG1-CD1 4.1Å; I705-D709 HydrophobicContact CG2-CB 3.61Å; I705-R710 HydrophobicContact CB-CG 4.4Å; I705-R710 HydrophobicContact CG2-CG 3.97Å; I705-R710 PolarHBondContact O-NE 3.46Å; I705-R710 PolarHBondContact O-NH2 3.47Å
706P93.8Very high93.5Very high70 Ų7078.9 Ų78.946%0.45538%0.376SS..  trans-67.7161.1-176.828.7-36.1000112.1R708 D709 R710P706-R708 VanDerWaalsContact C-N 3.25Å; P706-R708 PolarHBondContact O-N 2.88Å; P706-D709 HydrophobicContact CG-CB 4.22Å; P706-D709 VanDerWaalsContact CG-OD2 3.23Å; P706-D709 WeakPolarHBondContact CG-OD2 3.47Å; P706-D709 PolarHBondContact O-N 3.08Å; P706-R710 PolarHBondContact O-N 2.94Å; P706-R710 VanDerWaalsContact O-N 3.14Å
707L90.8Very high93.3Very high116 Ų11672 Ų7261%0.60735%0.35SS*.Hα-helixtrans-56.4-37.8-175.6178.961.1000113.1D709 L711L707-D709 VanDerWaalsContact C-N 3.28Å; L707-D709 PolarHBondContact O-N 3.49Å; L707-L711 HydrophobicContact CD1-CD1 4.12Å; L707-L711 HydrophobicContact CD1-CG 4.17Å; L707-L711 HydrophobicContact CG-CD1 3.98Å; L707-L711 HydrophobicContact CG-CG 4.47Å; L707-L711 WeakPolarHBondContact O-CB 3.39Å; L707-L711 VanDerWaalsContact O-CG 3.26Å; L707-L711 WeakPolarHBondContact O-CG 3.49Å; L707-L711 PolarHBondContact O-N 2.82Å
708R93.1Very high92.9Very high204 Ų20474.1 Ų74.177%0.7735%0.353SS*.Hα-helixtrans-54.4-45.5176174.1179-84.8-85.62.3111.6P706 L711 A712P706-R708 VanDerWaalsContact C-N 3.25Å; P706-R708 PolarHBondContact O-N 2.88Å; R708-L711 PolarHBondContact O-N 3.34Å; R708-A712 PolarHBondContact O-N 3.29Å
709D93.5Very high92.7Very high78 Ų7877.5 Ų77.542%0.41737%0.368SS..Hα-helixtrans-85.1-31-168.9-59.5-14.8000110.9I705 P706 L707 L711 A712 L713I705-D709 HydrophobicContact CG2-CB 3.61Å; P706-D709 HydrophobicContact CG-CB 4.22Å; P706-D709 VanDerWaalsContact CG-OD2 3.23Å; P706-D709 WeakPolarHBondContact CG-OD2 3.47Å; P706-D709 PolarHBondContact O-N 3.08Å; L707-D709 VanDerWaalsContact C-N 3.28Å; L707-D709 PolarHBondContact O-N 3.49Å; D709-L711 VanDerWaalsContact C-N 3.32Å; D709-L711 PolarHBondContact O-N 3.47Å; D709-A712 PolarHBondContact O-N 2.98Å; D709-L713 WeakPolarHBondContact O-CB 3.32Å; D709-L713 PolarHBondContact O-N 2.9Å
710R93.8Very high92.3Very high65 Ų6575.9 Ų75.925%0.24536%0.362CS..Hα-helixtrans-58.3-41.7163.1-78.3-178.2-105.3-163.5-17112.5L642 I701 F702 I705 P706 L714L642-R710 HydrophobicContact CD2-CG 4.1Å; I701-R710 WeakPolarHBondContact O-CD 3.02Å; I701-R710 WeakPolarHBondContact O-CG 3.24Å; F702-R710 VanDerWaalsContact O-CZ 3.26Å; F702-R710 PolarHBondContact O-NH1 3.43Å; F702-R710 PolarHBondContact O-NH2 3.33Å; I705-R710 HydrophobicContact CB-CG 4.4Å; I705-R710 HydrophobicContact CG2-CG 3.97Å; I705-R710 PolarHBondContact O-NE 3.46Å; I705-R710 PolarHBondContact O-NH2 3.47Å; P706-R710 PolarHBondContact O-N 2.94Å; P706-R710 VanDerWaalsContact O-N 3.14Å; R710-L714 WeakPolarHBondContact O-CG 3.38Å; R710-L714 PolarHBondContact O-N 3.29Å; R710-L714 VanDerWaalsContact O-N 3.13Å
711L92.6Very high91.9Very high78 Ų7876.5 Ų76.541%0.40836%0.361SS..Hα-helixtrans-70.3-36.7176-69.8170.7000111.8L638 L707 R708 D709 L714 Q715L638-L711 HydrophobicContact CD1-CD2 4.48Å; L638-L711 HydrophobicContact CD2-CD2 4.44Å; L707-L711 HydrophobicContact CD1-CD1 4.12Å; L707-L711 HydrophobicContact CD1-CG 4.17Å; L707-L711 HydrophobicContact CG-CD1 3.98Å; L707-L711 HydrophobicContact CG-CG 4.47Å; L707-L711 WeakPolarHBondContact O-CB 3.39Å; L707-L711 VanDerWaalsContact O-CG 3.26Å; L707-L711 WeakPolarHBondContact O-CG 3.49Å; L707-L711 PolarHBondContact O-N 2.82Å; R708-L711 PolarHBondContact O-N 3.34Å; D709-L711 VanDerWaalsContact C-N 3.32Å; D709-L711 PolarHBondContact O-N 3.47Å; L711-L714 HydrophobicContact CD2-CD1 4.37Å; L711-L714 PolarHBondContact O-N 2.92Å; L711-Q715 PolarHBondContact O-N 3.08Å
712A93.2Very high91.6Very high52 Ų5279.3 Ų79.343%0.4338%0.384SS..Hα-helixtrans-63.1-41.2173.100000112.1R708 D709 L714 Q715 Q716R708-A712 PolarHBondContact O-N 3.29Å; D709-A712 PolarHBondContact O-N 2.98Å; A712-L714 VanDerWaalsContact C-N 3.35Å; A712-L714 PolarHBondContact O-N 2.93Å; A712-Q715 WeakPolarHBondContact O-CB 3.44Å; A712-Q715 PolarHBondContact O-N 3.4Å; A712-Q715 VanDerWaalsContact O-N 3.11Å; A712-Q716 PolarHBondContact O-N 2.84Å
713L92.7Very high91.4Very high35 Ų3581.8 Ų81.818%0.18340%0.397CS..Hα-helixtrans-63.6-39175.1-168.6155.3000111.6L642 T645 K647 D709 Q715 D717L642-L713 HydrophobicContact CD1-CD2 4.04Å; T645-L713 HydrophobicContact CG2-CD2 3.59Å; K647-L713 HydrophobicContact CD-CD1 4.27Å; D709-L713 WeakPolarHBondContact O-CB 3.32Å; D709-L713 PolarHBondContact O-N 2.9Å; L713-Q715 VanDerWaalsContact C-N 3.33Å; L713-D717 PolarHBondContact O-N 3.36Å
714L92.1Very high91.2Very high15 Ų1580 Ų808%0.07939%0.386CS..Hα-helixtrans-65.4-33.3171.5-73.5173.7000113.2L638 R641 L642 T645 R710 L711 A712 R718L638-L714 HydrophobicContact CD2-CD1 3.9Å; R641-L714 HydrophobicContact CB-CD2 3.83Å; R641-L714 HydrophobicContact CG-CD2 3.7Å; L642-L714 HydrophobicContact CB-CD2 4.4Å; L642-L714 HydrophobicContact CD1-CD1 4.21Å; L642-L714 HydrophobicContact CD1-CD2 3.87Å; L642-L714 HydrophobicContact CD1-CG 3.69Å; T645-L714 HydrophobicContact CG2-CD2 3.81Å; R710-L714 WeakPolarHBondContact O-CG 3.38Å; R710-L714 PolarHBondContact O-N 3.29Å; R710-L714 VanDerWaalsContact O-N 3.13Å; L711-L714 HydrophobicContact CD2-CD1 4.37Å; L711-L714 PolarHBondContact O-N 2.92Å; A712-L714 VanDerWaalsContact C-N 3.35Å; A712-L714 PolarHBondContact O-N 2.93Å; L714-R718 WeakPolarHBondContact O-CG 3.27Å; L714-R718 PolarHBondContact O-N 2.88Å
715Q91.9Very high91Very high78 Ų7881.5 Ų81.536%0.36439%0.39SS..Hα-helixtrans-71.7-44.8176.1179.856.924.500111.5L711 A712 L713 D717 R718 E719L711-Q715 PolarHBondContact O-N 3.08Å; A712-Q715 WeakPolarHBondContact O-CB 3.44Å; A712-Q715 PolarHBondContact O-N 3.4Å; A712-Q715 VanDerWaalsContact O-N 3.11Å; L713-Q715 VanDerWaalsContact C-N 3.33Å; Q715-D717 VanDerWaalsContact C-N 3.29Å; Q715-D717 PolarHBondContact O-N 3.19Å; Q715-R718 WeakPolarHBondContact O-CA 3.41Å; Q715-R718 VanDerWaalsContact O-CB 3.31Å; Q715-R718 WeakPolarHBondContact O-CB 3.43Å; Q715-R718 PolarHBondContact O-N 2.93Å; Q715-R718 VanDerWaalsContact OE1-CD 3.32Å; Q715-E719 WeakPolarHBondContact CG-OE1 3.49Å; Q715-E719 PolarHBondContact NE2-OE1 3.03Å; Q715-E719 PolarHBondContact O-N 3.19Å
716Q91.4Very high90.8Very high113 Ų11385.7 Ų85.753%0.52841%0.412SS..Hα-helixtrans-59.1-38.8173.7-169.5-177.33.400112A712 R718 E719 L720A712-Q716 PolarHBondContact O-N 2.84Å; Q716-R718 VanDerWaalsContact C-N 3.32Å; Q716-R718 PolarHBondContact O-N 3.12Å; Q716-E719 PolarHBondContact O-N 3.47Å; Q716-L720 HydrophobicContact CG-CD1 4.08Å; Q716-L720 HydrophobicContact CG-CG 4.41Å; Q716-L720 WeakPolarHBondContact O-CB 3.47Å; Q716-L720 VanDerWaalsContact O-CG 3.32Å; Q716-L720 WeakPolarHBondContact O-CG 3.47Å; Q716-L720 PolarHBondContact O-N 3.13Å
717D91.5Very high90.5Very high16 Ų1688.1 Ų88.19%0.08641%0.412CS..Hα-helixtrans-65.2-30.8173.4176.584.8000113T645 L713 Q715 R721T645-D717 WeakPolarHBondContact CA-OD1 3.4Å; T645-D717 HydrophobicContact CG2-CB 3.96Å; L713-D717 PolarHBondContact O-N 3.36Å; Q715-D717 VanDerWaalsContact C-N 3.29Å; Q715-D717 PolarHBondContact O-N 3.19Å; D717-R721 WeakPolarHBondContact O-CB 3.31Å; D717-R721 VanDerWaalsContact O-CG 3.29Å; D717-R721 WeakPolarHBondContact O-CG 3.43Å; D717-R721 VanDerWaalsContact O-CZ 3.27Å; D717-R721 PolarHBondContact O-N 3.1Å; D717-R721 PolarHBondContact O-NE 3.23Å; D717-R721 VanDerWaalsContact O-NE 3.11Å; D717-R721 PolarHBondContact O-NH2 3.01Å; D717-R721 IonicContact OD1-NE 2.64Å; D717-R721 IonicContact OD2-CZ 3.94Å; D717-R721 IonicContact OD2-NE 2.71Å; D717-R721 PolarHBondContact OD2-NE 3.09Å; D717-R721 IonicContact OD2-NH2 2.7Å; D717-R721 PolarHBondContact OD2-NH2 2.93Å
718R88.3Confident90.4Very high118 Ų11886.5 Ų86.545%0.44540%0.404SS..Hα-helixtrans-67.4-47.8171-68.4162.7167.9-171.1-7.7111L714 Q715 Q716 R721 A722L714-R718 WeakPolarHBondContact O-CG 3.27Å; L714-R718 PolarHBondContact O-N 2.88Å; Q715-R718 WeakPolarHBondContact O-CA 3.41Å; Q715-R718 VanDerWaalsContact O-CB 3.31Å; Q715-R718 WeakPolarHBondContact O-CB 3.43Å; Q715-R718 PolarHBondContact O-N 2.93Å; Q715-R718 VanDerWaalsContact OE1-CD 3.32Å; Q716-R718 VanDerWaalsContact C-N 3.32Å; Q716-R718 PolarHBondContact O-N 3.12Å; R718-R721 PolarHBondContact O-N 3.3Å; R718-A722 PolarHBondContact O-N 3.24Å
719E91.4Very high90.1Very high106 Ų10682 Ų8250%0.49540%0.395SS..Hα-helixtrans-63.2-47.8-179.5-71.2163-164.100111.8Q715 Q716 R721 A722 E723Q715-E719 WeakPolarHBondContact CG-OE1 3.49Å; Q715-E719 PolarHBondContact NE2-OE1 3.03Å; Q715-E719 PolarHBondContact O-N 3.19Å; Q716-E719 PolarHBondContact O-N 3.47Å; E719-R721 VanDerWaalsContact C-N 3.28Å; E719-R721 PolarHBondContact O-N 2.85Å; E719-A722 WeakPolarHBondContact O-CB 3.38Å; E719-A722 PolarHBondContact O-N 3.02Å; E719-E723 PolarHBondContact O-N 2.94Å
720L88.5Confident89.7Confident49 Ų4983.5 Ų83.526%0.25740%0.399SS..Hα-helixtrans-60.5-35.6175.9-72.6170.6000112.6Q716 R724Q716-L720 HydrophobicContact CG-CD1 4.08Å; Q716-L720 HydrophobicContact CG-CG 4.41Å; Q716-L720 WeakPolarHBondContact O-CB 3.47Å; Q716-L720 VanDerWaalsContact O-CG 3.32Å; Q716-L720 WeakPolarHBondContact O-CG 3.47Å; Q716-L720 PolarHBondContact O-N 3.13Å; L720-R724 WeakPolarHBondContact O-CB 3.43Å; L720-R724 WeakPolarHBondContact O-CD 3.47Å; L720-R724 WeakPolarHBondContact O-CG 3.31Å; L720-R724 PolarHBondContact O-N 3.25Å
721R85.6Confident89.2Confident83 Ų8387 Ų8731%0.31342%0.417SS..Hα-helixtrans-72.6-32.1174.1-76.9-174.7-75.189.41.1112.9D717 R718 E719 K725D717-R721 WeakPolarHBondContact O-CB 3.31Å; D717-R721 VanDerWaalsContact O-CG 3.29Å; D717-R721 WeakPolarHBondContact O-CG 3.43Å; D717-R721 VanDerWaalsContact O-CZ 3.27Å; D717-R721 PolarHBondContact O-N 3.1Å; D717-R721 PolarHBondContact O-NE 3.23Å; D717-R721 VanDerWaalsContact O-NE 3.11Å; D717-R721 PolarHBondContact O-NH2 3.01Å; D717-R721 IonicContact OD1-NE 2.64Å; D717-R721 IonicContact OD2-CZ 3.94Å; D717-R721 IonicContact OD2-NE 2.71Å; D717-R721 PolarHBondContact OD2-NE 3.09Å; D717-R721 IonicContact OD2-NH2 2.7Å; D717-R721 PolarHBondContact OD2-NH2 2.93Å; R718-R721 PolarHBondContact O-N 3.3Å; E719-R721 VanDerWaalsContact C-N 3.28Å; E719-R721 PolarHBondContact O-N 2.85Å; R721-K725 WeakPolarHBondContact O-CG 3.38Å; R721-K725 PolarHBondContact O-N 3.31Å
722A87.3Confident88.5Confident59 Ų5987 Ų8749%0.48843%0.428SS..Hα-helixtrans-69.9-45.3172.400000111.2R718 E719 R724 K725 L726R718-A722 PolarHBondContact O-N 3.24Å; E719-A722 WeakPolarHBondContact O-CB 3.38Å; E719-A722 PolarHBondContact O-N 3.02Å; A722-R724 VanDerWaalsContact C-N 3.34Å; A722-R724 PolarHBondContact O-N 3.2Å; A722-K725 PolarHBondContact O-N 2.64Å; A722-L726 WeakPolarHBondContact O-CB 3.5Å; A722-L726 PolarHBondContact O-N 3.39Å
723E89.1Confident87.5Confident85 Ų8592 Ų9240%0.39744%0.44SS..Hα-helixtrans-59.7-42.7176.1-165-161.3155.800111.5E719 L726 R727E719-E723 PolarHBondContact O-N 2.94Å; E723-L726 PolarHBondContact O-N 2.96Å; E723-R727 WeakPolarHBondContact O-CB 3.31Å; E723-R727 VanDerWaalsContact O-CG 3.32Å; E723-R727 WeakPolarHBondContact O-CG 3.24Å; E723-R727 PolarHBondContact O-N 2.89Å; E723-R727 IonicContact OE1-CZ 3.44Å; E723-R727 IonicContact OE1-NE 2.7Å; E723-R727 PolarHBondContact OE1-NE 3.09Å; E723-R727 IonicContact OE1-NH2 3.35Å; E723-R727 PolarHBondContact OE1-NH2 3.4Å
724R90.1Very high85.7Confident109 Ų10991.9 Ų91.941%0.41144%0.441SS..Hα-helixtrans-59.3-52.1174.5-74.6165.4-161.3-157.70.5111.6E646 L720 A722 L726 R727 D728E646-R724 IonicContact OE1-CZ 3.27Å; E646-R724 VanDerWaalsContact OE1-CZ 3.29Å; E646-R724 IonicContact OE1-NH1 3.92Å; E646-R724 PolarHBondContact OE1-NH1 2.89Å; E646-R724 IonicContact OE1-NH2 3.71Å; E646-R724 PolarHBondContact OE1-NH2 3.3Å; E646-R724 IonicContact OE2-CZ 2.96Å; E646-R724 IonicContact OE2-NH1 2.71Å; E646-R724 IonicContact OE2-NH2 3.26Å; E646-R724 PolarHBondContact OE2-NH2 2.91Å; L720-R724 WeakPolarHBondContact O-CB 3.43Å; L720-R724 WeakPolarHBondContact O-CD 3.47Å; L720-R724 WeakPolarHBondContact O-CG 3.31Å; L720-R724 PolarHBondContact O-N 3.25Å; A722-R724 VanDerWaalsContact C-N 3.34Å; A722-R724 PolarHBondContact O-N 3.2Å; R724-L726 VanDerWaalsContact C-N 3.29Å; R724-L726 PolarHBondContact O-N 3.11Å; R724-R727 PolarHBondContact O-N 3.36Å; R724-D728 WeakPolarHBondContact O-CB 3.41Å; R724-D728 PolarHBondContact O-N 2.86Å
725K87.4Confident83.8Confident154 Ų15497.1 Ų97.167%0.6748%0.476SS*.Hα-helixtrans-56.2-42175.6-77.1-174.6172.6-165.50112.4R721 A722 D728 L729R721-K725 WeakPolarHBondContact O-CG 3.38Å; R721-K725 PolarHBondContact O-N 3.31Å; A722-K725 PolarHBondContact O-N 2.64Å; K725-D728 PolarHBondContact O-N 3.36Å; K725-L729 WeakPolarHBondContact O-CB 3.5Å; K725-L729 VanDerWaalsContact O-CG 3.28Å; K725-L729 WeakPolarHBondContact O-CG 3.48Å; K725-L729 PolarHBondContact O-N 2.85Å
726L88Confident82.1Confident117 Ų117102.9 Ų102.961%0.61350%0.499SS*.Hα-helixtrans-63.3-48.7177.9-163.1165.3000110.7A722 E723 R724 D728 L729 E730A722-L726 WeakPolarHBondContact O-CB 3.5Å; A722-L726 PolarHBondContact O-N 3.39Å; E723-L726 PolarHBondContact O-N 2.96Å; R724-L726 VanDerWaalsContact C-N 3.29Å; R724-L726 PolarHBondContact O-N 3.11Å; L726-D728 VanDerWaalsContact C-N 3.29Å; L726-D728 PolarHBondContact O-N 2.87Å; L726-L729 PolarHBondContact O-N 3.48Å; L726-E730 WeakPolarHBondContact O-CB 3.33Å; L726-E730 PolarHBondContact O-N 3.42Å
727R88.6Confident80.3Confident120 Ų120104.3 Ų104.345%0.45351%0.511SS..Hα-helixtrans-62.1-32.8175.2-71178.1-179.7-68.5-1.2113.3E723 R724 K731E723-R727 WeakPolarHBondContact O-CB 3.31Å; E723-R727 VanDerWaalsContact O-CG 3.32Å; E723-R727 WeakPolarHBondContact O-CG 3.24Å; E723-R727 PolarHBondContact O-N 2.89Å; E723-R727 IonicContact OE1-CZ 3.44Å; E723-R727 IonicContact OE1-NE 2.7Å; E723-R727 PolarHBondContact OE1-NE 3.09Å; E723-R727 IonicContact OE1-NH2 3.35Å; E723-R727 PolarHBondContact OE1-NH2 3.4Å; R724-R727 PolarHBondContact O-N 3.36Å; R727-K731 WeakPolarHBondContact O-CD 3.5Å; R727-K731 WeakPolarHBondContact O-CE 3.4Å; R727-K731 WeakPolarHBondContact O-CG 3.37Å; R727-K731 PolarHBondContact O-N 2.99Å; R727-K731 VanDerWaalsContact O-N 3.08Å
728D88.2Confident78.5Confident82 Ų82110.9 Ų110.944%0.43953%0.534SS..Hα-helixtrans-77.4-35.2178.3-65.6-29.8000111.5R724 K725 L726 K731 A732R724-D728 WeakPolarHBondContact O-CB 3.41Å; R724-D728 PolarHBondContact O-N 2.86Å; K725-D728 PolarHBondContact O-N 3.36Å; L726-D728 VanDerWaalsContact C-N 3.29Å; L726-D728 PolarHBondContact O-N 2.87Å; D728-K731 PolarHBondContact O-N 3.29Å; D728-K731 IonicContact OD1-NZ 2.76Å; D728-K731 PolarHBondContact OD1-NZ 2.76Å; D728-A732 WeakPolarHBondContact O-CB 3.44Å; D728-A732 PolarHBondContact O-N 3.35Å
729L87.6Confident76.9Confident110 Ų110111.9 Ų111.958%0.57655%0.553SS**Hα-helixtrans-66.9-35.2167.7-70.4168.3000112.2K725 L726 K731 A732 K733K725-L729 WeakPolarHBondContact O-CB 3.5Å; K725-L729 VanDerWaalsContact O-CG 3.28Å; K725-L729 WeakPolarHBondContact O-CG 3.48Å; K725-L729 PolarHBondContact O-N 2.85Å; L726-L729 PolarHBondContact O-N 3.48Å; L729-K731 VanDerWaalsContact C-N 3.34Å; L729-A732 PolarHBondContact O-N 2.66Å; L729-K733 VanDerWaalsContact O-CB 3.28Å; L729-K733 WeakPolarHBondContact O-CB 3.41Å; L729-K733 VanDerWaalsContact O-CG 3.27Å; L729-K733 WeakPolarHBondContact O-CG 3.4Å; L729-K733 PolarHBondContact O-N 2.99Å
730E83.7Confident75.4Confident109 Ų109110.4 Ų110.451%0.50956%0.555SS.*Hα-helixtrans-64.8-35.2173.1-172.9-169.1179.600112.2L726L726-E730 WeakPolarHBondContact O-CB 3.33Å; L726-E730 PolarHBondContact O-N 3.42Å
731K84.3Confident74.1Confident139 Ų139112.9 Ų112.960%0.60457%0.568SS**Hα-helixtrans-73-42.6172.4-66.9161.5-153165.70112.1R727 D728 L729 K733R727-K731 WeakPolarHBondContact O-CD 3.5Å; R727-K731 WeakPolarHBondContact O-CE 3.4Å; R727-K731 WeakPolarHBondContact O-CG 3.37Å; R727-K731 PolarHBondContact O-N 2.99Å; R727-K731 VanDerWaalsContact O-N 3.08Å; D728-K731 PolarHBondContact O-N 3.29Å; D728-K731 IonicContact OD1-NZ 2.76Å; D728-K731 PolarHBondContact OD1-NZ 2.76Å; L729-K731 VanDerWaalsContact C-N 3.34Å; K731-K733 VanDerWaalsContact C-N 3.32Å
732A77.8Confident73.4Confident79 Ų79112.9 Ų112.965%0.65358%0.581SS**Hα-helixtrans-68.3-32.2179.200000112.1D728 L729 T734D728-A732 WeakPolarHBondContact O-CB 3.44Å; D728-A732 PolarHBondContact O-N 3.35Å; L729-A732 PolarHBondContact O-N 2.66Å; A732-T734 PolarHBondContact O-N 2.98Å
733K71.8Confident72.4Confident156 Ų156113.6 Ų113.668%0.67859%0.586SS**SBendtrans-7473.6169.5-73.6-178.7176.5-170.10111.2L729 K731L729-K733 VanDerWaalsContact O-CB 3.28Å; L729-K733 WeakPolarHBondContact O-CB 3.41Å; L729-K733 VanDerWaalsContact O-CG 3.27Å; L729-K733 WeakPolarHBondContact O-CG 3.4Å; L729-K733 PolarHBondContact O-N 2.99Å; K731-K733 VanDerWaalsContact C-N 3.32Å
734T55.8Low71.3Confident33 Ų33113.2 Ų113.220%0.20260%0.598CS.*  trans160141.8135.143.20000110.7A732 D737 R738A732-T734 PolarHBondContact O-N 2.98Å; T734-D737 HydrophobicContact CG2-CB 3.97Å; T734-R738 HydrophobicContact CG2-CB 4.37Å; T734-R738 HydrophobicContact CG2-CG 3.67Å; T734-R738 VanDerWaalsContact OG1-CD 3.29Å; T734-R738 WeakPolarHBondContact OG1-CD 3.43Å; T734-R738 PolarHBondContact OG1-NE 3.21Å; T734-R738 PolarHBondContact OG1-NH1 3.37Å; T734-R738 PolarHBondContact OG1-NH2 2.98Å
735P51.9Low70.5Confident124 Ų124111.1 Ų111.181%0.80560%0.597SS**SBend-114.7-19.592.5-10.729000115.1R738P735-R738 PolarHBondContact O-N 3.2Å
736K56.5Low70Confident199 Ų199107.8 Ų107.887%0.86558%0.584SS**THydrogen-bonded Turntrans-77-31.2-161.5-137.1169.8-174.9178.20115.4
737D53.1Low69.4Low144 Ų144110.5 Ų110.577%0.7759%0.586SS**THydrogen-bonded Turntrans-87.2-2.3176.9-54.7-38.5000113.7T734 V739T734-D737 HydrophobicContact CG2-CB 3.97Å; D737-V739 PolarHBondContact O-N 3.49Å
738R54Low68.7Low153 Ų153108.3 Ų108.358%0.57759%0.589SS**  trans-8559.3178.2-80.6-172.2-173.3152.314.7112.7T734 P735 S740T734-R738 HydrophobicContact CG2-CB 4.37Å; T734-R738 HydrophobicContact CG2-CG 3.67Å; T734-R738 VanDerWaalsContact OG1-CD 3.29Å; T734-R738 WeakPolarHBondContact OG1-CD 3.43Å; T734-R738 PolarHBondContact OG1-NE 3.21Å; T734-R738 PolarHBondContact OG1-NH1 3.37Å; T734-R738 PolarHBondContact OG1-NH2 2.98Å; P735-R738 PolarHBondContact O-N 3.2Å; R738-S740 WeakPolarHBondContact CG-OG 3.38Å; R738-S740 PolarHBondContact O-N 2.83Å
739V55.1Low68Low139 Ų139108.3 Ų108.384%0.84259%0.589SS**  trans-80.728.6145.7-161.90000109.8D737 L741D737-V739 PolarHBondContact O-N 3.49Å; V739-L741 PolarHBondContact O-N 3.36Å
740S59Low67Low75 Ų75106.5 Ų106.552%0.52458%0.58SS.*  trans-77.1112.6168.959.30000108.7R738 S742R738-S740 WeakPolarHBondContact CG-OG 3.38Å; R738-S740 PolarHBondContact O-N 2.83Å; S740-S742 PolarHBondContact O-N 2.97Å
741L61.3Low66.5Low102 Ų102110.4 Ų110.453%0.53459%0.59SS.*  trans-48.7132.1-179.3-62.6174.8000111.5V739 T745 L749V739-L741 PolarHBondContact O-N 3.36Å; L741-T745 HydrophobicContact CB-CG2 4.27Å; L741-T745 HydrophobicContact CD1-CG2 4.44Å; L741-T745 HydrophobicContact CD2-CG2 4.45Å; L741-L749 HydrophobicContact CD1-CD1 3.74Å
742S70.2Confident65.7Low83 Ų83111.1 Ų111.158%0.5859%0.593SS**  trans-47.6143.8-179.4-61.80000112.1S740 A744 T745 Q746S740-S742 PolarHBondContact O-N 2.97Å; S742-A744 CarbonylContact O-C 3.6Å; S742-A744 PolarHBondContact O-N 3.49Å; S742-T745 WeakPolarHBondContact O-CA 3.28Å; S742-T745 VanDerWaalsContact O-CB 3.3Å; S742-T745 WeakPolarHBondContact O-CB 3.39Å; S742-T745 PolarHBondContact O-N 3.22Å; S742-Q746 PolarHBondContact O-N 3.47Å
743A67.6Low65.2Low73 Ų73113.5 Ų113.560%0.60359%0.588SS**Hα-helixtrans-57.1-24.5-175.300000114.3R747A743-R747 WeakPolarHBondContact O-CB 3.37Å; A743-R747 WeakPolarHBondContact O-CD 3.4Å; A743-R747 WeakPolarHBondContact O-CG 3.49Å; A743-R747 PolarHBondContact O-N 2.78Å; A743-R747 VanDerWaalsContact O-N 3.14Å
744A66Low64.7Low78 Ų78113.5 Ų113.565%0.64559%0.588SS**Hα-helixtrans-68.7-44.4169.300000112.5S742 R747 S748S742-A744 CarbonylContact O-C 3.6Å; S742-A744 PolarHBondContact O-N 3.49Å; A744-R747 PolarHBondContact O-N 2.95Å; A744-S748 WeakPolarHBondContact O-CB 3.37Å; A744-S748 PolarHBondContact O-N 2.94Å
745T73.4Confident64.7Low65 Ų65117.6 Ų117.640%0.39961%0.613SS.*Hα-helixtrans-65.1-44.5176.3-45.50000111.6L741 S742 S748 L749L741-T745 HydrophobicContact CB-CG2 4.27Å; L741-T745 HydrophobicContact CD1-CG2 4.44Å; L741-T745 HydrophobicContact CD2-CG2 4.45Å; S742-T745 WeakPolarHBondContact O-CA 3.28Å; S742-T745 VanDerWaalsContact O-CB 3.3Å; S742-T745 WeakPolarHBondContact O-CB 3.39Å; S742-T745 PolarHBondContact O-N 3.22Å; T745-S748 WeakPolarHBondContact O-CB 3.48Å; T745-S748 PolarHBondContact O-N 3.33Å; T745-S748 VanDerWaalsContact O-N 3.16Å; T745-L749 PolarHBondContact O-N 2.82Å
746Q76.6Confident64.7Low83 Ų83116.1 Ų116.139%0.38861%0.606SS.*Hα-helixtrans-59.7-50.1174.5-176.458.843.600110.9S742 S748 L749 D750S742-Q746 PolarHBondContact O-N 3.47Å; Q746-S748 PolarHBondContact O-N 2.85Å; Q746-L749 CarbonylContact O-C 3.59Å; Q746-L749 WeakPolarHBondContact O-CB 3.21Å; Q746-L749 PolarHBondContact O-N 2.96Å; Q746-D750 PolarHBondContact NE2-OD1 3.35Å; Q746-D750 PolarHBondContact O-N 3.18Å
747R74.9Confident64.2Low175 Ų175112.2 Ų112.266%0.6659%0.591SS**Hα-helixtrans-63-26.6176.3-72.7173.5176.6-164.7-1.4113.4A743 A744 R751A743-R747 WeakPolarHBondContact O-CB 3.37Å; A743-R747 WeakPolarHBondContact O-CD 3.4Å; A743-R747 WeakPolarHBondContact O-CG 3.49Å; A743-R747 PolarHBondContact O-N 2.78Å; A743-R747 VanDerWaalsContact O-N 3.14Å; A744-R747 PolarHBondContact O-N 2.95Å; R747-R751 WeakPolarHBondContact O-CB 3.42Å; R747-R751 WeakPolarHBondContact O-CD 3.34Å; R747-R751 WeakPolarHBondContact O-CG 3.37Å; R747-R751 PolarHBondContact O-N 2.85Å; R747-R751 VanDerWaalsContact O-N 3.1Å
748S73.3Confident63.6Low74 Ų74109.9 Ų109.952%0.51759%0.585SS.*Hα-helixtrans-71.4-43172.4-165.30000111.3A744 T745 Q746 R751 K752A744-S748 WeakPolarHBondContact O-CB 3.37Å; A744-S748 PolarHBondContact O-N 2.94Å; T745-S748 WeakPolarHBondContact O-CB 3.48Å; T745-S748 PolarHBondContact O-N 3.33Å; T745-S748 VanDerWaalsContact O-N 3.16Å; Q746-S748 PolarHBondContact O-N 2.85Å; S748-R751 PolarHBondContact O-N 2.92Å; S748-K752 WeakPolarHBondContact O-CB 3.41Å; S748-K752 PolarHBondContact O-N 2.87Å
749L73.6Confident63.2Low81 Ų81107.7 Ų107.742%0.42459%0.591SS.*Hα-helixtrans-64.1-43.2172.6-74.4171.3000112.2L741 T745 Q746 R751 K752 K753L741-L749 HydrophobicContact CD1-CD1 3.74Å; T745-L749 PolarHBondContact O-N 2.82Å; Q746-L749 CarbonylContact O-C 3.59Å; Q746-L749 WeakPolarHBondContact O-CB 3.21Å; Q746-L749 PolarHBondContact O-N 2.96Å; L749-R751 VanDerWaalsContact C-N 3.32Å; L749-R751 PolarHBondContact O-N 3.5Å; L749-K752 CarbonylContact O-C 3.48Å; L749-K752 PolarHBondContact O-N 3.25Å; L749-K752 VanDerWaalsContact O-N 3.16Å; L749-K753 WeakPolarHBondContact O-CB 3.38Å; L749-K753 PolarHBondContact O-N 3.34Å
750D68.3Low62.3Low73 Ų73105.8 Ų105.839%0.3959%0.59SS.*Hα-helixtrans-62.9-39.5177.2-60.2-35000111.5Q746 K754Q746-D750 PolarHBondContact NE2-OD1 3.35Å; Q746-D750 PolarHBondContact O-N 3.18Å; D750-K754 WeakPolarHBondContact O-CG 3.32Å; D750-K754 PolarHBondContact O-N 2.88Å; D750-K754 VanDerWaalsContact O-N 3.09Å
751R71.4Confident61.3Low190 Ų190107.2 Ų107.272%0.71761%0.607SS**Hα-helixtrans-64.6-45171.9-75.9169177.1-168.6-3.7111.5R747 S748 L749 K753 K754 V755R747-R751 WeakPolarHBondContact O-CB 3.42Å; R747-R751 WeakPolarHBondContact O-CD 3.34Å; R747-R751 WeakPolarHBondContact O-CG 3.37Å; R747-R751 PolarHBondContact O-N 2.85Å; R747-R751 VanDerWaalsContact O-N 3.1Å; S748-R751 PolarHBondContact O-N 2.92Å; L749-R751 VanDerWaalsContact C-N 3.32Å; L749-R751 PolarHBondContact O-N 3.5Å; R751-K753 VanDerWaalsContact C-N 3.33Å; R751-K753 PolarHBondContact O-N 2.89Å; R751-K754 PolarHBondContact O-N 3.45Å; R751-V755 WeakPolarHBondContact O-CG2 3.46Å; R751-V755 PolarHBondContact O-N 2.82Å
752K67.9Low60.2Low155 Ų155107.3 Ų107.367%0.67462%0.622SS**Hα-helixtrans-63.3-37.6178.1-168.3175.8-178.5-179.20111.9S748 L749 V755 S756S748-K752 WeakPolarHBondContact O-CB 3.41Å; S748-K752 PolarHBondContact O-N 2.87Å; L749-K752 CarbonylContact O-C 3.48Å; L749-K752 PolarHBondContact O-N 3.25Å; L749-K752 VanDerWaalsContact O-N 3.16Å; K752-V755 PolarHBondContact O-N 2.96Å; K752-S756 PolarHBondContact O-N 3.15Å; K752-S756 PolarHBondContact O-OG 3.09Å
753K68.6Low58.9Low128 Ų128114.4 Ų114.456%0.55764%0.636SS**Hα-helixtrans-65.7-44.7175.8-171.1177.3177.3-175.30111.7L749 R751 V755 S756 E757L749-K753 WeakPolarHBondContact O-CB 3.38Å; L749-K753 PolarHBondContact O-N 3.34Å; R751-K753 VanDerWaalsContact C-N 3.33Å; R751-K753 PolarHBondContact O-N 2.89Å; K753-V755 VanDerWaalsContact C-N 3.29Å; K753-V755 PolarHBondContact O-N 3.4Å; K753-S756 WeakPolarHBondContact CA-OG 3.4Å; K753-S756 PolarHBondContact O-N 2.78Å; K753-S756 PolarHBondContact O-OG 2.7Å; K753-E757 WeakPolarHBondContact CE-OE1 3.36Å; K753-E757 PolarHBondContact O-N 2.9Å
754K59.8Low57.5Low156 Ų156120.6 Ų120.668%0.67865%0.649SS**Hα-helixtrans-64.8-30.9174.6-71.3-170.2176.4-153.70113.5D750 R751 S756 E757D750-K754 WeakPolarHBondContact O-CG 3.32Å; D750-K754 PolarHBondContact O-N 2.88Å; D750-K754 VanDerWaalsContact O-N 3.09Å; R751-K754 PolarHBondContact O-N 3.45Å; K754-S756 VanDerWaalsContact C-N 3.3Å; K754-E757 PolarHBondContact O-N 3.06Å
755V56.1Low56.2Low119 Ų119121.4 Ų121.472%0.72166%0.656SS**Hα-helixtrans-70.7-24.9172.6170.40000112.3R751 K752 K753R751-V755 WeakPolarHBondContact O-CG2 3.46Å; R751-V755 PolarHBondContact O-N 2.82Å; K752-V755 PolarHBondContact O-N 2.96Å; K753-V755 VanDerWaalsContact C-N 3.29Å; K753-V755 PolarHBondContact O-N 3.4Å
756S51.5Low54.4Low94 Ų94126.7 Ų126.766%0.65768%0.676SS**THydrogen-bonded Turntrans-86.2-4.4175.852.30000115.6K752 K753 K754K752-S756 PolarHBondContact O-N 3.15Å; K752-S756 PolarHBondContact O-OG 3.09Å; K753-S756 WeakPolarHBondContact CA-OG 3.4Å; K753-S756 PolarHBondContact O-N 2.78Å; K753-S756 PolarHBondContact O-OG 2.7Å; K754-S756 VanDerWaalsContact C-N 3.3Å
757E46Very low52.5Low117 Ų117131 Ų13155%0.54770%0.696SS.*SBendtrans-101.53.5-176.7-74.2168.8169.400113.6K753 K754K753-E757 WeakPolarHBondContact CE-OE1 3.36Å; K753-E757 PolarHBondContact O-N 2.9Å; K754-E757 PolarHBondContact O-N 3.06Å
758S40.7Very low50.6Low94 Ų94131.7 Ų131.766%0.65770%0.704SS**  trans-101.1112.7176.8-64.10000112.2A760S758-A760 PolarHBondContact O-N 3.29Å
759P45.1Very low49.3Very low108 Ų108133 Ų13370%0.70171%0.71SS**  trans-83.5114.5179.931.8-32.6000112
760A38Very low47.3Very low99 Ų99138.5 Ų138.582%0.81873%0.731SS**  trans-137.4136.3170.300000110.7S758S758-A760 PolarHBondContact O-N 3.29Å
761A37.6Very low45.8Very low105 Ų105140.2 Ų140.287%0.86875%0.749SS**  trans-73.1136.6-16500000114.4R763A761-R763 PolarHBondContact O-N 3.19Å
762A36.6Very low44.6Very low104 Ų104136.6 Ų136.686%0.8675%0.75SS**  trans-91.791.2169.900000111.3
763R43.4Very low43Very low232 Ų232135 Ų13588%0.87575%0.753SS**  trans-146.385.7166.8-82.1-160.1174.3-178.5-0.4114.2A761A761-R763 PolarHBondContact O-N 3.19Å
764K37.8Very low41.3Very low203 Ų203135.6 Ų135.688%0.88377%0.768SS**  163.5140.2112.2-89174.8178.8-178.20110.2
765A39.8Very low40.1Very low95 Ų95135.7 Ų135.779%0.78578%0.776SS**  trans-82.8137.4171.100000110.2
766Q35.8Very low39.1Very low176 Ų176141.8 Ų141.882%0.82279%0.786SS**  trans-139.7155.2152.4-87.8-54.7-18.800111.2
767H35.3Very low38.2Very low173 Ų173143.1 Ų143.180%0.80179%0.79SS**  trans-33.1138.4-168.4-103.6-102.1000121.5
768K35.7Very low37.5Very low189 Ų189147 Ų14782%0.82281%0.808SS**  trans-55.3153.1141.6-89.8-178.4179.3177.80109.7
769P45.5Very low37.4Very low102 Ų102151.6 Ų151.666%0.66282%0.816SS**  -158-174.553.745.6-25000119
770K32.8Very low37.6Very low196 Ų196151.9 Ų151.985%0.85282%0.818SS**  trans65.9104.4152.4-73.3162.6-171.5179.50120
771S36.2Very low37.3Very low110 Ų110152.2 Ų152.277%0.76981%0.814SS**  -57.4160.4129.75.90000110.4
772P46.3Very low37.3Very low113 Ų113156.2 Ų156.273%0.73482%0.815SS**  cis-149.1179.448.843.4-23.4000118.1
773T33.8Very low37.1Very low122 Ų122154.7 Ų154.775%0.74881%0.809SS**  trans20.9122.3141.4-50.40000120.4
774T33Very low37Very low141 Ų141152.4 Ų152.487%0.86581%0.808SS**  -168156.2122.514.20000112.3
775N35.1Very low36.9Very low158 Ų158148.7 Ų148.785%0.84580%0.803SS**  trans-86.8133.2171.2-56-77.1000110.1
776R36Very low36.5Very low246 Ų246149.1 Ų149.193%0.92880%0.8SS**  trans-152.7119.3141.8-148.2160.9-178.1131.2-2.6115.4
777V32.5Very low36.3Very low123 Ų123145.8 Ų145.875%0.74580%0.796SS**  trans-29.7137.4158.5176.20000115.3
778Q31.1Very low36.3Very low197 Ų197144.1 Ų144.192%0.92180%0.798SS**  trans-139.3134132-102.6-178.91600112
779K37Very low36.7Very low192 Ų192141.2 Ų141.284%0.83580%0.799SS**  trans-147.8165.3170.8-98-168.3177.4-173.60104
780P51.4Low35.8Very low113 Ų113140.2 Ų140.273%0.73481%0.807SS**  cis-144.9-146.730.244-22.8000113.9
781S31Very low35.9Very low106 Ų106139.2 Ų139.274%0.74181%0.806SS**  trans83.2136.4171.282.50000115.7
782Q36.8Very low35.5Very low190 Ų190140.7 Ų140.789%0.88880%0.804SS**  cis-155.2135.1-7.4-148.9168.5-6.200112.8
783G33.8Very low34.8Very low71 Ų71141.2 Ų141.273%0.73280%0.801SS**  trans64.6150.1154.600000120.4
784Q39.6Very low34.6Very low184 Ų184146 Ų14686%0.8681%0.805SS**  cis-147.5137.7-13-106.1174.9-800109.9
785T36.3Very low34.5Very low125 Ų125148.6 Ų148.677%0.76781%0.807SS**  trans7.4143.4148.150.40000120.4
786S31.9Very low34.2Very low105 Ų105144.6 Ų144.673%0.73480%0.803SS**  cis-170.4-162.2-2.348.50000107.7
787S31.4Very low34Very low105 Ų105137.5 Ų137.573%0.73479%0.791SS**  cis-152.7163.413.3-57.80000111.4
788T34.5Very low34.2Very low138 Ų138144.4 Ų144.485%0.84780%0.804SS**  trans-145170.5167.5700000107.8
789P44.8Very low34.2Very low128 Ų128144.7 Ų144.783%0.83180%0.798SS**  -145.4-176.757.639.6-18.1000115.8
790G27.6Very low34.3Very low81 Ų81147.1 Ų147.184%0.83580%0.802SS**  trans174.459.3177.500000114.4
791Q33Very low33.7Very low176 Ų176148.8 Ų148.882%0.82280%0.798SS**  trans-99.5135.1-172.8179.4179.9-12.600111.8
792L29.8Very low34.7Very low140 Ų140147.7 Ų147.773%0.73379%0.787SS**  174.7148.4124.6-93.1168.6000115.6
793N30.3Very low35.2Very low125 Ų125142.3 Ų142.367%0.66877%0.768SS**  trans55.5118.3154.3-77.7-35000124
794R30.2Very low36Very low223 Ų223144.2 Ų144.284%0.84276%0.758SS**  20.8131.2117.7-56.8177.8174-132.23.7116.2
795Q30.8Very low36.5Very low194 Ų194139.2 Ų139.291%0.90774%0.735SS**  cis-152.2178.249.3-70-175.215.700111.2
796G28.8Very low37.2Very low74 Ų74141.4 Ų141.476%0.76373%0.729SS**  trans-111.6154.6178.500000114
797S31.1Very low38.1Very low97 Ų97140.8 Ų140.868%0.67872%0.721SS**  trans-166.4113.6149.3-174.30000110.2Y799S797-Y799 PolarHBondContact O-N 3.26Å
798W36.1Very low38.9Very low269 Ų269144.7 Ų144.7100%1.01972%0.719SS**  trans-90.875.8172.5-81.974.2000110
799Y31.3Very low39.4Very low203 Ų203146.8 Ų146.880%0.79671%0.712SS**  trans-111.4145.2171.2-106.5-93.4000111.8S797S797-Y799 PolarHBondContact O-N 3.26Å
800R39.3Very low39.5Very low242 Ų242146.5 Ų146.591%0.91370%0.702SS**  trans-64.3137.2178.5-71.4-179.8175.5-111.64.7110.4
801K38.9Very low40.3Very low149 Ų149147.6 Ų147.665%0.64869%0.689SS**  trans-109.2138.2168.1-67.6180163.4-67.20109.5E805K801-E805 WeakPolarHBondContact CD-OE2 3.47Å; K801-E805 WeakPolarHBondContact CE-OE2 3.37Å; K801-E805 VanDerWaalsContact CG-OE2 3.22Å; K801-E805 WeakPolarHBondContact CG-OE2 3.42Å; K801-E805 IonicContact NZ-OE1 3.44Å; K801-E805 PolarHBondContact NZ-OE1 3.14Å; K801-E805 IonicContact NZ-OE2 2.62Å; K801-E805 PolarHBondContact NZ-OE2 3.16Å
802T52Low40.9Very low83 Ų83143.6 Ų143.651%0.50968%0.677SS.*  trans-85.5170.5-177.861.90000111E804T802-E804 VanDerWaalsContact C-N 3.3Å; T802-E804 WeakPolarHBondContact CB-OE2 3.44Å; T802-E804 PolarHBondContact O-N 3.34Å; T802-E804 PolarHBondContact OG1-OE2 3.08Å
803P48.8Very low41.7Very low77 Ų77142.3 Ų142.350%0.567%0.67SS.*SBendtrans-58.6-36.4-178.1-2635.7000114.8E805 R806P803-E805 VanDerWaalsContact C-N 3.3Å; P803-E805 PolarHBondContact O-N 2.77Å; P803-R806 PolarHBondContact O-N 3.45Å; P803-R806 VanDerWaalsContact O-N 3.15Å
804E49.7Very low42.5Very low110 Ų110145.2 Ų145.251%0.51468%0.676SS.*Hα-helixtrans-68.3-30.6-167.3-52.368.4-138.100112.1T802 R806 V807T802-E804 VanDerWaalsContact C-N 3.3Å; T802-E804 WeakPolarHBondContact CB-OE2 3.44Å; T802-E804 PolarHBondContact O-N 3.34Å; T802-E804 PolarHBondContact OG1-OE2 3.08Å; E804-R806 VanDerWaalsContact C-N 3.26Å; E804-R806 PolarHBondContact O-N 3.46Å; E804-V807 PolarHBondContact O-N 3Å
805E49Very low43.4Very low80 Ų80143.5 Ų143.537%0.37468%0.675SS.*Hα-helixtrans-72.9-17.7179.6-149.4-166.2-175.100112.9K801 P803K801-E805 WeakPolarHBondContact CD-OE2 3.47Å; K801-E805 WeakPolarHBondContact CE-OE2 3.37Å; K801-E805 VanDerWaalsContact CG-OE2 3.22Å; K801-E805 WeakPolarHBondContact CG-OE2 3.42Å; K801-E805 IonicContact NZ-OE1 3.44Å; K801-E805 PolarHBondContact NZ-OE1 3.14Å; K801-E805 IonicContact NZ-OE2 2.62Å; K801-E805 PolarHBondContact NZ-OE2 3.16Å; P803-E805 VanDerWaalsContact C-N 3.3Å; P803-E805 PolarHBondContact O-N 2.77Å
806R52.3Low44.2Very low171 Ų171142.3 Ų142.365%0.64567%0.669SS**Hα-helixtrans-79.3-35.2173.8-81.4-179.5-77.3165-3.1112.6P803 E804 R809 L810P803-R806 PolarHBondContact O-N 3.45Å; P803-R806 VanDerWaalsContact O-N 3.15Å; E804-R806 VanDerWaalsContact C-N 3.26Å; E804-R806 PolarHBondContact O-N 3.46Å; R806-R809 PolarHBondContact O-N 3.29Å; R806-L810 WeakPolarHBondContact O-CD1 3.29Å
807V50Low44.9Very low92 Ų92147.2 Ų147.256%0.55867%0.672SS**Hα-helixtrans-62.6-48.8-177.3-176.80000110.7E804 R809 L810E804-V807 PolarHBondContact O-N 3Å; V807-R809 PolarHBondContact O-N 3.12Å; V807-L810 PolarHBondContact O-N 3.15Å
808R48.9Very low45.5Very low186 Ų186147.9 Ų147.970%0.70268%0.677SS**THydrogen-bonded Turntrans-60.6-12.2179.8-61.2-172.2-169.81361.9115.1
809R44.6Very low45.7Very low182 Ų182143.8 Ų143.869%0.68767%0.674SS**THydrogen-bonded Turntrans-95-8.7176.2-76.5-165.5174-144.1-2.3114.4R806 V807 I813R806-R809 PolarHBondContact O-N 3.29Å; V807-R809 PolarHBondContact O-N 3.12Å; R809-I813 WeakPolarHBondContact O-CD1 3.48Å; R809-I813 WeakPolarHBondContact O-CG1 3.47Å
810L46.9Very low46.2Very low122 Ų122141.6 Ų141.664%0.63971%0.713SS**THydrogen-bonded Turntrans-85.9-38.9170.7-85.679.3000111.5R806 V807 T812 I813 K814R806-L810 WeakPolarHBondContact O-CD1 3.29Å; V807-L810 PolarHBondContact O-N 3.15Å; L810-T812 VanDerWaalsContact C-N 3.29Å; L810-T812 PolarHBondContact O-N 2.88Å; L810-I813 PolarHBondContact O-N 3.3Å; L810-I813 VanDerWaalsContact O-N 3.12Å; L810-K814 PolarHBondContact O-N 3.48Å
811D44.6Very low46.5Very low105 Ų105136.6 Ų136.656%0.56170%0.703SS**THydrogen-bonded Turntrans-66.5-28.9-178.1-65.5-37.8000113.4
812T45.8Very low46.9Very low91 Ų91135.9 Ų135.956%0.55871%0.706SS**THydrogen-bonded Turntrans-75.4-26.6173.951.90000113.2L810L810-T812 VanDerWaalsContact C-N 3.29Å; L810-T812 PolarHBondContact O-N 2.88Å
813I46.8Very low46.6Very low113 Ų113138.8 Ų138.858%0.57972%0.717SS**G310 helixtrans-77.6-34.3178-68.1175.1000111R809 L810 K815 Q816R809-I813 WeakPolarHBondContact O-CD1 3.48Å; R809-I813 WeakPolarHBondContact O-CG1 3.47Å; L810-I813 PolarHBondContact O-N 3.3Å; L810-I813 VanDerWaalsContact O-N 3.12Å; I813-K815 PolarHBondContact O-N 2.85Å; I813-K815 VanDerWaalsContact O-N 3.08Å; I813-Q816 PolarHBondContact O-N 3.03Å
814K46Very low46.5Very low187 Ų187142.5 Ų142.581%0.81373%0.729SS**G310 helixtrans-66.1-4.8175.2-88.3-170.3172-175.10115.3L810L810-K814 PolarHBondContact O-N 3.48Å
815K49.8Very low46.3Very low186 Ų186144.5 Ų144.581%0.80974%0.743SS**G310 helixtrans-105.67.5179.2-87.1-169.8171.9-174.40115.7I813I813-K815 PolarHBondContact O-N 2.85Å; I813-K815 VanDerWaalsContact O-N 3.08Å
816Q46.4Very low46.1Very low169 Ų169148.8 Ų148.879%0.7977%0.767SS**SBendtrans-113.29.4179.9-62.8-148-73.500115.8I813I813-Q816 PolarHBondContact O-N 3.03Å
817H43.7Very low45.7Very low177 Ų177147.2 Ų147.282%0.81978%0.776SS**  trans-123.176.6172.6-65.1-61.8000110.6
818S45.3Very low45.3Very low112 Ų112151.5 Ų151.578%0.78379%0.793SS**  trans-157.754.8175.3-176.90000111
819L40.5Very low45Very low183 Ų183148.6 Ų148.696%0.95880%0.8SS**  trans-139.9123.8162.4-72.7178.2000106.7
820G39.9Very low45.1Very low156 Ų156145.5 Ų145.5100%1.60881%0.811SS**  trans122.30-160.100000109

Retrieved 820 of 820 residues in 447.8 ms (Link to these results)