A0A087X5V4_POEFO Loading...

Protein FAM161A

Involved in ciliogenesis.

AlphaFold DB , UniProt , Accession A0A087X5V4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 678 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
1M37.8Very low41.4Very low251 Ų251140.3 Ų140.3100%1.23686%0.858SS**  0113.20-64.9-71.4-165.700106.8
2G37.5Very low42.4Very low77 Ų77147.2 Ų147.279%0.79486%0.859SS**  cis-155.4148.7-2.800000107
3G40.3Very low43.9Very low86 Ų86146.6 Ų146.689%0.88785%0.849SS**  trans-72.9155179.500000112.7
4G37.5Very low45.2Very low67 Ų67143.1 Ų143.169%0.69183%0.826SS**  trans-14985.3173.100000110.2
5H37.2Very low46.2Very low195 Ų195140.5 Ų140.590%0.90381%0.807SS**  trans-75.5117.4167.3-72.3-72000109.1R7H5-R7 PolarHBondContact O-N 3.36Å
6H38.4Very low47.1Very low196 Ų196136.8 Ų136.891%0.90779%0.792SS**  trans-81.7103.9165.7-70.9-69.1000109.1
7R41Very low47.9Very low241 Ų241139.6 Ų139.691%0.90979%0.793SS**  trans-98.7121.5167-148.6178.9-160.4-168.34.5107.4H5 A9H5-R7 PolarHBondContact O-N 3.36Å; R7-A9 PolarHBondContact O-N 3.29Å
8A41.8Very low48.7Very low98 Ų98137.7 Ų137.781%0.8178%0.778SS**  trans-58.6128.217500000110.4A10A8-A10 PolarHBondContact O-N 3.42Å
9A41.5Very low49.6Very low93 Ų93138.6 Ų138.677%0.76977%0.773SS**  trans-73.4108.6168.900000108R7R7-A9 PolarHBondContact O-N 3.29Å
10A44.8Very low50.8Low86 Ų86137.1 Ų137.171%0.71176%0.758SS**  trans-78.7113.5163.700000107.3A8 Y12A8-A10 PolarHBondContact O-N 3.42Å; A10-Y12 PolarHBondContact O-N 3.46Å
11D57.3Low52.3Low153 Ų153133.1 Ų133.182%0.81874%0.741SS**  trans-63.299.8169.1-69.6-30.9000108.4L13D11-L13 PolarHBondContact O-N 3.24Å; D11-L13 VanDerWaalsContact O-N 3.12Å
12Y53.3Low54.2Low223 Ų223127.3 Ų127.388%0.87571%0.714SS**  trans-68.5105.5170.8-119.5-97000107.6A10 D14A10-Y12 PolarHBondContact O-N 3.46Å; Y12-D14 PolarHBondContact O-N 2.96Å; Y12-D14 VanDerWaalsContact O-N 3.14Å
13L62.6Low56.6Low140 Ų140130.9 Ų130.973%0.73371%0.71SS**  trans-61.4114.7168.8-72.7164.8000108.2D11 L15D11-L13 PolarHBondContact O-N 3.24Å; D11-L13 VanDerWaalsContact O-N 3.12Å; L13-L15 PolarHBondContact O-N 3.09Å
14D61.5Low58.8Low97 Ų97131.7 Ų131.752%0.51969%0.691SS.*  trans-67.894.4174.7-175.27.3000109.4Y12 S16 K17Y12-D14 PolarHBondContact O-N 2.96Å; Y12-D14 VanDerWaalsContact O-N 3.14Å; D14-S16 PolarHBondContact O-N 3.26Å; D14-S16 VanDerWaalsContact O-N 3.09Å; D14-S16 WeakPolarHBondContact OD1-CB 3.39Å; D14-S16 PolarHBondContact OD1-N 3.27Å; D14-S16 PolarHBondContact OD1-OG 3.42Å; D14-S16 PolarHBondContact OD2-OG 2.73Å; D14-K17 PolarHBondContact O-N 3.1Å
15L60.3Low61.2Low105 Ų105134.3 Ų134.355%0.5568%0.681SS.*G310 helixtrans-60.3-18.1-177.4-64.1174.3000112.4L13 K17 I18 F19L13-L15 PolarHBondContact O-N 3.09Å; L15-K17 PolarHBondContact O-N 3.15Å; L15-I18 HydrophobicContact CD2-CD1 3.94Å; L15-I18 PolarHBondContact O-N 3.17Å; L15-F19 HydrophobicContact CB-CD2 4.49Å; L15-F19 HydrophobicContact CB-CE2 4.18Å; L15-F19 WeakPolarHBondContact O-CD2 3.32Å; L15-F19 PolarHBondContact O-N 2.95Å
16S61.1Low63.7Low80 Ų80132 Ų13256%0.55967%0.666SS**G310 helixtrans-63.8-21.517771.50000113.5D14D14-S16 PolarHBondContact O-N 3.26Å; D14-S16 VanDerWaalsContact O-N 3.09Å; D14-S16 WeakPolarHBondContact OD1-CB 3.39Å; D14-S16 PolarHBondContact OD1-N 3.27Å; D14-S16 PolarHBondContact OD1-OG 3.42Å; D14-S16 PolarHBondContact OD2-OG 2.73Å
17K60.4Low66.2Low185 Ų185125.4 Ų125.480%0.80464%0.641SS**G310 helixtrans-80.9-12.1172.5-79.6179.5177.8172.90114.3D14 L15D14-K17 PolarHBondContact O-N 3.1Å; L15-K17 PolarHBondContact O-N 3.15Å
18I62.9Low68.7Low105 Ų105118.8 Ų118.854%0.53862%0.619SS.*THydrogen-bonded Turntrans-97.2-26.2-176.3-56.4176.7000110.8L15L15-I18 HydrophobicContact CD2-CD1 3.94Å; L15-I18 PolarHBondContact O-N 3.17Å
19F65.9Low71.1Confident155 Ų155118.2 Ų118.268%0.6860%0.602SS**SBendtrans-89.7113.5177.1-68.5-75.5000110.5L15L15-F19 HydrophobicContact CB-CD2 4.49Å; L15-F19 HydrophobicContact CB-CE2 4.18Å; L15-F19 WeakPolarHBondContact O-CD2 3.32Å; L15-F19 PolarHBondContact O-N 2.95Å
20F72.8Confident73.6Confident108 Ų108118.8 Ų118.847%0.47459%0.589SS.*  trans-57.8142.6167.2-60.3-63.9000109.5E24 K28F20-E24 HydrophobicContact CB-CB 4.16Å; F20-K28 HydrophobicContact CE1-CD 4.4Å
21S81.8Confident76Confident55 Ų55120.6 Ų120.639%0.38558%0.582SS.*  trans-60.2150.916473.70000108.7E23 E24 Y25S21-E23 PolarHBondContact O-N 3.46Å; S21-E23 VanDerWaalsContact O-N 3.13Å; S21-E24 PolarHBondContact O-N 3.44Å; S21-E24 WeakPolarHBondContact OG-CB 3.32Å; S21-E24 WeakPolarHBondContact OG-CG 3.49Å; S21-E24 PolarHBondContact OG-N 2.63Å; S21-E24 VanDerWaalsContact OG-N 3.15Å; S21-Y25 PolarHBondContact O-N 3.39Å
22N79.3Confident77.8Confident128 Ų128119 Ų11968%0.68457%0.573SS**Hα-helixtrans-55.6-33.8178.6-77.6-17.8000111.4Y25 Y26N22-Y25 PolarHBondContact O-N 3.35Å; N22-Y26 HydrophobicContact CB-CE2 4.48Å; N22-Y26 WeakPolarHBondContact O-CD2 3.33Å; N22-Y26 PolarHBondContact O-N 2.91Å; N22-Y26 VanDerWaalsContact O-N 3.09Å
23E87.3Confident79.8Confident153 Ų153115.3 Ų115.372%0.71556%0.562SS**Hα-helixtrans-65.7-44.4175.6-172.4174.1-174.800112.8S21 Y25 Y26 S27S21-E23 PolarHBondContact O-N 3.46Å; S21-E23 VanDerWaalsContact O-N 3.13Å; E23-Y25 VanDerWaalsContact C-N 3.34Å; E23-Y26 PolarHBondContact O-N 3.5Å; E23-S27 WeakPolarHBondContact O-CB 3.5Å; E23-S27 PolarHBondContact O-N 2.84Å; E23-S27 PolarHBondContact O-OG 3.14Å
24E87Confident81.4Confident103 Ų103114.6 Ų114.648%0.48155%0.552SS.*Hα-helixtrans-65.6-37.5175-76.6176-172.900112.2F20 S21 S27 K28F20-E24 HydrophobicContact CB-CB 4.16Å; S21-E24 PolarHBondContact O-N 3.44Å; S21-E24 WeakPolarHBondContact OG-CB 3.32Å; S21-E24 WeakPolarHBondContact OG-CG 3.49Å; S21-E24 PolarHBondContact OG-N 2.63Å; S21-E24 VanDerWaalsContact OG-N 3.15Å; E24-S27 PolarHBondContact O-N 2.87Å; E24-K28 WeakPolarHBondContact O-CB 3.36Å; E24-K28 WeakPolarHBondContact O-CG 3.39Å; E24-K28 PolarHBondContact O-N 3.45Å
25Y87.4Confident83Confident122 Ų122112.4 Ų112.448%0.47855%0.548SS..Hα-helixtrans-59.9-50.4175.9172.9-95.3000111.2S21 N22 E23 K28 L29S21-Y25 PolarHBondContact O-N 3.39Å; N22-Y25 PolarHBondContact O-N 3.35Å; E23-Y25 VanDerWaalsContact C-N 3.34Å; Y25-K28 PolarHBondContact O-N 3.12Å; Y25-L29 WeakPolarHBondContact O-CB 3.23Å; Y25-L29 PolarHBondContact O-N 3.45Å
26Y90.4Very high84.6Confident147 Ų147112.5 Ų112.558%0.57655%0.545SS*.Hα-helixtrans-69.6-34.3179.3-70.4-61.8000112.5N22 E23 L29 E30N22-Y26 HydrophobicContact CB-CE2 4.48Å; N22-Y26 WeakPolarHBondContact O-CD2 3.33Å; N22-Y26 PolarHBondContact O-N 2.91Å; N22-Y26 VanDerWaalsContact O-N 3.09Å; E23-Y26 PolarHBondContact O-N 3.5Å; Y26-L29 HydrophobicContact CD1-CD2 4.39Å; Y26-L29 WeakPolarHBondContact O-CB 3.37Å; Y26-L29 PolarHBondContact O-N 3.22Å; Y26-E30 PolarHBondContact O-N 3.42Å
27S90.8Very high86.2Confident56 Ų56113.8 Ų113.839%0.39255%0.545SS..Hα-helixtrans-62.6-46.7174.4-60.20000111.5E23 E24 L29 E30 E31E23-S27 WeakPolarHBondContact O-CB 3.5Å; E23-S27 PolarHBondContact O-N 2.84Å; E23-S27 PolarHBondContact O-OG 3.14Å; E24-S27 PolarHBondContact O-N 2.87Å; S27-L29 VanDerWaalsContact C-N 3.31Å; S27-L29 PolarHBondContact O-N 3.3Å; S27-E30 PolarHBondContact O-N 3.22Å; S27-E30 VanDerWaalsContact O-N 3.17Å; S27-E31 WeakPolarHBondContact O-CG 3.49Å; S27-E31 PolarHBondContact O-N 3.14Å
28K92.1Very high87.8Confident103 Ų103111.1 Ų111.145%0.44854%0.535SS..Hα-helixtrans-64.4-35174.9-76.3-173.8178.3-174.50112.8F20 E24 Y25 E30 E31 L32F20-K28 HydrophobicContact CE1-CD 4.4Å; E24-K28 WeakPolarHBondContact O-CB 3.36Å; E24-K28 WeakPolarHBondContact O-CG 3.39Å; E24-K28 PolarHBondContact O-N 3.45Å; Y25-K28 PolarHBondContact O-N 3.12Å; K28-E30 VanDerWaalsContact C-N 3.31Å; K28-E31 PolarHBondContact O-N 3.12Å; K28-L32 WeakPolarHBondContact O-CB 3.24Å; K28-L32 PolarHBondContact O-N 2.97Å
29L93.6Very high89.4Confident85 Ų85109.2 Ų109.245%0.44553%0.529SS..Hα-helixtrans-64.9-38.9174.7-165.976.4000111.2Y25 Y26 S27 L32 K33Y25-L29 WeakPolarHBondContact O-CB 3.23Å; Y25-L29 PolarHBondContact O-N 3.45Å; Y26-L29 HydrophobicContact CD1-CD2 4.39Å; Y26-L29 WeakPolarHBondContact O-CB 3.37Å; Y26-L29 PolarHBondContact O-N 3.22Å; S27-L29 VanDerWaalsContact C-N 3.31Å; S27-L29 PolarHBondContact O-N 3.3Å; L29-L32 PolarHBondContact O-N 2.92Å; L29-K33 WeakPolarHBondContact O-CB 3.36Å; L29-K33 PolarHBondContact O-N 2.71Å
30E93.3Very high90.8Very high106 Ų106105.7 Ų105.750%0.49552%0.516SS..Hα-helixtrans-70.2-40176.4-157.6-173149.800112.1Y26 S27 K28 L32 K33 K34Y26-E30 PolarHBondContact O-N 3.42Å; S27-E30 PolarHBondContact O-N 3.22Å; S27-E30 VanDerWaalsContact O-N 3.17Å; K28-E30 VanDerWaalsContact C-N 3.31Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-K33 WeakPolarHBondContact O-CB 3.31Å; E30-K33 PolarHBondContact O-N 2.94Å; E30-K34 WeakPolarHBondContact O-CG 3.4Å; E30-K34 PolarHBondContact O-N 2.89Å; E30-K34 VanDerWaalsContact OE1-CE 3.23Å; E30-K34 WeakPolarHBondContact OE1-CE 3.28Å; E30-K34 IonicContact OE1-NZ 3.45Å; E30-K34 PolarHBondContact OE1-NZ 3.08Å
31E94.8Very high91.8Very high124 Ų124103.3 Ų103.358%0.57952%0.515SS*.Hα-helixtrans-59-44.7170.9-74.4177.6-179.200111.6S27 K28 K33 K34 A35S27-E31 WeakPolarHBondContact O-CG 3.49Å; S27-E31 PolarHBondContact O-N 3.14Å; K28-E31 PolarHBondContact O-N 3.12Å; E31-K33 VanDerWaalsContact C-N 3.31Å; E31-K33 PolarHBondContact O-N 3.27Å; E31-K34 PolarHBondContact O-N 3.23Å; E31-A35 WeakPolarHBondContact O-CB 3.47Å; E31-A35 PolarHBondContact O-N 3.44Å
32L96.2Very high92.4Very high119 Ų119106 Ų10662%0.62352%0.522SS*.Hα-helixtrans-62.7-40.2177-172.469.3000111.5K28 L29 E30 A35 H36K28-L32 WeakPolarHBondContact O-CB 3.24Å; K28-L32 PolarHBondContact O-N 2.97Å; L29-L32 PolarHBondContact O-N 2.92Å; E30-L32 VanDerWaalsContact C-N 3.34Å; L32-A35 PolarHBondContact O-N 2.81Å; L32-H36 WeakPolarHBondContact O-CB 3.07Å; L32-H36 PolarHBondContact O-N 3.43Å
33K94.7Very high93.1Very high146 Ų146104 Ų10464%0.63551%0.511SS*.Hα-helixtrans-63.5-42.2175.3-172.2-179.8177.4-177.10111.4L29 E30 E31 H36 L37L29-K33 WeakPolarHBondContact O-CB 3.36Å; L29-K33 PolarHBondContact O-N 2.71Å; E30-K33 WeakPolarHBondContact O-CB 3.31Å; E30-K33 PolarHBondContact O-N 2.94Å; E31-K33 VanDerWaalsContact C-N 3.31Å; E31-K33 PolarHBondContact O-N 3.27Å; K33-H36 PolarHBondContact O-N 3.22Å; K33-L37 WeakPolarHBondContact O-CG 3.47Å; K33-L37 PolarHBondContact O-N 3.2Å
34K96Very high93.3Very high124 Ų124102.3 Ų102.354%0.53950%0.503SS..Hα-helixtrans-64.9-44.8175.8-72.7169.3-175.61610111.5E30 E31 H36 L37 H38E30-K34 WeakPolarHBondContact O-CG 3.4Å; E30-K34 PolarHBondContact O-N 2.89Å; E30-K34 VanDerWaalsContact OE1-CE 3.23Å; E30-K34 WeakPolarHBondContact OE1-CE 3.28Å; E30-K34 IonicContact OE1-NZ 3.45Å; E30-K34 PolarHBondContact OE1-NZ 3.08Å; E31-K34 PolarHBondContact O-N 3.23Å; K34-H36 PolarHBondContact O-N 3.08Å; K34-L37 PolarHBondContact O-N 3.21Å; K34-H38 PolarHBondContact O-N 3.35Å
35A95.2Very high93.6Very high51 Ų51100.7 Ų100.742%0.42150%0.503SS..Hα-helixtrans-61.2-44175.900000111.6E31 L32 L37 H38 T39E31-A35 WeakPolarHBondContact O-CB 3.47Å; E31-A35 PolarHBondContact O-N 3.44Å; L32-A35 PolarHBondContact O-N 2.81Å; A35-L37 PolarHBondContact O-N 3.34Å; A35-H38 WeakPolarHBondContact O-CB 3.4Å; A35-H38 PolarHBondContact O-N 3.15Å; A35-T39 PolarHBondContact O-N 3.26Å; A35-T39 PolarHBondContact O-OG1 3.41Å
36H93.5Very high93.7Very high108 Ų108100.1 Ų100.150%0.551%0.506SS..Hα-helixtrans-61.2-45.5176.4179.861.2000112L32 K33 K34 H38 T39 M40L32-H36 WeakPolarHBondContact O-CB 3.07Å; L32-H36 PolarHBondContact O-N 3.43Å; K33-H36 PolarHBondContact O-N 3.22Å; K34-H36 PolarHBondContact O-N 3.08Å; H36-H38 VanDerWaalsContact C-N 3.35Å; H36-H38 PolarHBondContact O-N 3.23Å; H36-T39 PolarHBondContact O-N 3Å; H36-M40 WeakPolarHBondContact O-CG 3.47Å; H36-M40 PolarHBondContact O-N 2.94Å
37L95.4Very high93.7Very high106 Ų106100.1 Ų100.156%0.55551%0.506SS*.Hα-helixtrans-60.9-42175.9-72.2173.5000112.3K33 K34 A35 T39 M40 A41K33-L37 WeakPolarHBondContact O-CG 3.47Å; K33-L37 PolarHBondContact O-N 3.2Å; K34-L37 PolarHBondContact O-N 3.21Å; A35-L37 PolarHBondContact O-N 3.34Å; L37-T39 VanDerWaalsContact C-N 3.34Å; L37-T39 PolarHBondContact O-N 3.44Å; L37-M40 PolarHBondContact O-N 3.49Å; L37-A41 WeakPolarHBondContact O-CB 3.3Å; L37-A41 PolarHBondContact O-N 2.98Å
38H94.3Very high93.4Very high129 Ų129102.1 Ų102.160%0.59751%0.509SS*.Hα-helixtrans-59.5-46.2173.8-176.2-71.5000111.3K34 A35 H36 M40 A41 E42K34-H38 PolarHBondContact O-N 3.35Å; A35-H38 WeakPolarHBondContact O-CB 3.4Å; A35-H38 PolarHBondContact O-N 3.15Å; H36-H38 VanDerWaalsContact C-N 3.35Å; H36-H38 PolarHBondContact O-N 3.23Å; H38-M40 VanDerWaalsContact C-N 3.32Å; H38-M40 PolarHBondContact O-N 3.18Å; H38-A41 PolarHBondContact O-N 3.38Å; H38-E42 IonicContact CE1-OE2 3.64Å; H38-E42 IonicContact ND1-OE2 3.67Å; H38-E42 WeakPolarHBondContact O-CB 3.39Å; H38-E42 PolarHBondContact O-N 3.09Å
39T96.3Very high93.1Very high66 Ų66102.5 Ų102.541%0.40551%0.513SS..Hα-helixtrans-63.6-39.2179.8-37.60000111.4A35 H36 L37 E42 L43A35-T39 PolarHBondContact O-N 3.26Å; A35-T39 PolarHBondContact O-OG1 3.41Å; H36-T39 PolarHBondContact O-N 3Å; L37-T39 VanDerWaalsContact C-N 3.34Å; L37-T39 PolarHBondContact O-N 3.44Å; T39-E42 PolarHBondContact O-N 2.93Å; T39-L43 WeakPolarHBondContact O-CG 3.17Å; T39-L43 PolarHBondContact O-N 2.9Å
40M93.9Very high92.6Very high81 Ų81105.3 Ų105.340%0.39952%0.522SS..Hα-helixtrans-66.3-40.8175.5-69.3-57.898.300112.1H36 L37 H38 L43 E44H36-M40 WeakPolarHBondContact O-CG 3.47Å; H36-M40 PolarHBondContact O-N 2.94Å; L37-M40 PolarHBondContact O-N 3.49Å; H38-M40 VanDerWaalsContact C-N 3.32Å; H38-M40 PolarHBondContact O-N 3.18Å; M40-L43 HydrophobicContact CE-CD1 3.64Å; M40-L43 PolarHBondContact O-N 3.02Å; M40-E44 WeakPolarHBondContact O-CB 3.47Å; M40-E44 PolarHBondContact O-N 3.46Å
41A94.6Very high91.8Very high57 Ų57103.9 Ų103.947%0.47152%0.517SS..Hα-helixtrans-64.8-38.7175.900000112.1L37 H38 E44 S45L37-A41 WeakPolarHBondContact O-CB 3.3Å; L37-A41 PolarHBondContact O-N 2.98Å; H38-A41 PolarHBondContact O-N 3.38Å; A41-E44 PolarHBondContact O-N 2.92Å; A41-S45 WeakPolarHBondContact O-CB 3.46Å; A41-S45 PolarHBondContact O-N 3.38Å
42E95.1Very high90.6Very high111 Ų111104.2 Ų104.252%0.51952%0.518SS..Hα-helixtrans-67.1-40.9176.7-168.4169.4-171.900111.9H38 T39 S45 M46H38-E42 IonicContact CE1-OE2 3.64Å; H38-E42 IonicContact ND1-OE2 3.67Å; H38-E42 WeakPolarHBondContact O-CB 3.39Å; H38-E42 PolarHBondContact O-N 3.09Å; T39-E42 PolarHBondContact O-N 2.93Å; E42-S45 PolarHBondContact O-N 3.37Å; E42-M46 WeakPolarHBondContact O-CG 3.38Å; E42-M46 PolarHBondContact O-N 3.4Å
43L92.8Very high89.3Confident88 Ų88104.3 Ų104.346%0.46152%0.519SS..Hα-helixtrans-64.5-39.5172.4-73.2177.6000112.4T39 M40 M46 Y47T39-L43 WeakPolarHBondContact O-CG 3.17Å; T39-L43 PolarHBondContact O-N 2.9Å; M40-L43 HydrophobicContact CE-CD1 3.64Å; M40-L43 PolarHBondContact O-N 3.02Å; L43-M46 HydrophobicContact CD2-CE 4.24Å; L43-M46 PolarHBondContact O-N 3.42Å; L43-Y47 VanDerWaalsContact O-CB 3.3Å; L43-Y47 WeakPolarHBondContact O-CB 3.33Å; L43-Y47 PolarHBondContact O-N 3.29Å
44E92.6Very high87.5Confident116 Ų116106.8 Ų106.854%0.54252%0.524SS..Hα-helixtrans-63.9-44.2175.2-170.3178.3175.900111.1M40 A41 Y47 Q48M40-E44 WeakPolarHBondContact O-CB 3.47Å; M40-E44 PolarHBondContact O-N 3.46Å; A41-E44 PolarHBondContact O-N 2.92Å; E44-Y47 PolarHBondContact O-N 2.87Å; E44-Q48 WeakPolarHBondContact O-CB 3.48Å; E44-Q48 VanDerWaalsContact O-CG 3.3Å; E44-Q48 WeakPolarHBondContact O-CG 3.18Å; E44-Q48 PolarHBondContact O-N 3.43Å; E44-Q48 PolarHBondContact OE1-NE2 3.4Å
45S93.1Very high85.5Confident70 Ų70105.3 Ų105.349%0.4953%0.53SS..Hα-helixtrans-58.3-48.6174-178.30000111.8A41 E42 Y47 Q48 Q49A41-S45 WeakPolarHBondContact O-CB 3.46Å; A41-S45 PolarHBondContact O-N 3.38Å; E42-S45 PolarHBondContact O-N 3.37Å; S45-Y47 VanDerWaalsContact C-N 3.31Å; S45-Y47 PolarHBondContact O-N 3.24Å; S45-Q48 PolarHBondContact O-N 2.9Å; S45-Q49 WeakPolarHBondContact O-CB 3.35Å; S45-Q49 PolarHBondContact O-N 2.89Å
46M89.4Confident83.4Confident110 Ų110110.2 Ų110.254%0.54255%0.546SS..Hα-helixtrans-62.7-37176.2-74.5-140.3-66.400112.6E42 L43 Q49 K50E42-M46 WeakPolarHBondContact O-CG 3.38Å; E42-M46 PolarHBondContact O-N 3.4Å; L43-M46 HydrophobicContact CD2-CE 4.24Å; L43-M46 PolarHBondContact O-N 3.42Å; M46-Q49 PolarHBondContact O-N 2.78Å; M46-K50 VanDerWaalsContact O-CB 3.29Å; M46-K50 WeakPolarHBondContact O-CB 3.46Å; M46-K50 PolarHBondContact O-N 2.85Å
47Y90.1Very high80.9Confident146 Ų146111.7 Ų111.757%0.57356%0.557SS**Hα-helixtrans-68.2-42.3177.1-176.2-105.1000111.7L43 E44 S45 K50 L51L43-Y47 VanDerWaalsContact O-CB 3.3Å; L43-Y47 WeakPolarHBondContact O-CB 3.33Å; L43-Y47 PolarHBondContact O-N 3.29Å; E44-Y47 PolarHBondContact O-N 2.87Å; S45-Y47 VanDerWaalsContact C-N 3.31Å; S45-Y47 PolarHBondContact O-N 3.24Å; Y47-K50 PolarHBondContact O-N 2.92Å; Y47-L51 HydrophobicContact CD1-CD1 3.83Å; Y47-L51 HydrophobicContact CD1-CG 4.41Å; Y47-L51 HydrophobicContact CE1-CD1 3.42Å; Y47-L51 VanDerWaalsContact CE1-CD1 3.42Å; Y47-L51 HydrophobicContact CE1-CG 4.08Å; Y47-L51 WeakPolarHBondContact O-CG 3.47Å; Y47-L51 PolarHBondContact O-N 3.38Å
48Q84.7Confident78.8Confident98 Ų98112.4 Ų112.446%0.45857%0.568SS.*Hα-helixtrans-63.2-43.1173.3-70.2178.713.600111.2E44 S45 K50 L51 Q52E44-Q48 WeakPolarHBondContact O-CB 3.48Å; E44-Q48 VanDerWaalsContact O-CG 3.3Å; E44-Q48 WeakPolarHBondContact O-CG 3.18Å; E44-Q48 PolarHBondContact O-N 3.43Å; E44-Q48 PolarHBondContact OE1-NE2 3.4Å; S45-Q48 PolarHBondContact O-N 2.9Å; Q48-K50 PolarHBondContact O-N 2.84Å; Q48-L51 WeakPolarHBondContact O-CB 3.35Å; Q48-L51 PolarHBondContact O-N 2.82Å; Q48-Q52 WeakPolarHBondContact O-CG 3.38Å; Q48-Q52 PolarHBondContact O-N 3.1Å
49Q86.6Confident76.4Confident112 Ų112114 Ų11452%0.52358%0.58SS.*Hα-helixtrans-62.2-41.5174.9-169.7179.911.100111.6S45 M46 L51 Q52 L53S45-Q49 WeakPolarHBondContact O-CB 3.35Å; S45-Q49 PolarHBondContact O-N 2.89Å; M46-Q49 PolarHBondContact O-N 2.78Å; Q49-L51 VanDerWaalsContact C-N 3.34Å; Q49-L51 PolarHBondContact O-N 3.18Å; Q49-Q52 PolarHBondContact O-N 3.36Å; Q49-L53 HydrophobicContact CG-CD1 4.4Å; Q49-L53 WeakPolarHBondContact O-CB 3.45Å; Q49-L53 WeakPolarHBondContact O-CG 3.36Å; Q49-L53 PolarHBondContact O-N 3.35Å
50K83.2Confident73.8Confident144 Ų144117.4 Ų117.463%0.62660%0.596SS**Hα-helixtrans-64.5-37.6174.1-176.6177.9-179.81770112.1M46 Y47 Q48 R54M46-K50 VanDerWaalsContact O-CB 3.29Å; M46-K50 WeakPolarHBondContact O-CB 3.46Å; M46-K50 PolarHBondContact O-N 2.85Å; Y47-K50 PolarHBondContact O-N 2.92Å; Q48-K50 PolarHBondContact O-N 2.84Å; K50-R54 WeakPolarHBondContact O-CB 3.37Å; K50-R54 PolarHBondContact O-N 2.93Å
51L75.4Confident71.4Confident75 Ų75123 Ų12339%0.39362%0.623SS.*Hα-helixtrans-65.9-40.9174-76.6173.3000111.5Y47 Q48 Q49 R54 S55Y47-L51 HydrophobicContact CD1-CD1 3.83Å; Y47-L51 HydrophobicContact CD1-CG 4.41Å; Y47-L51 HydrophobicContact CE1-CD1 3.42Å; Y47-L51 VanDerWaalsContact CE1-CD1 3.42Å; Y47-L51 HydrophobicContact CE1-CG 4.08Å; Y47-L51 WeakPolarHBondContact O-CG 3.47Å; Y47-L51 PolarHBondContact O-N 3.38Å; Q48-L51 WeakPolarHBondContact O-CB 3.35Å; Q48-L51 PolarHBondContact O-N 2.82Å; Q49-L51 VanDerWaalsContact C-N 3.34Å; Q49-L51 PolarHBondContact O-N 3.18Å; L51-R54 PolarHBondContact O-N 3.31Å; L51-S55 PolarHBondContact O-N 3.35Å; L51-S55 PolarHBondContact O-OG 3.16Å
52Q70.6Confident69Low131 Ų131124.5 Ų124.561%0.61264%0.636SS**Hα-helixtrans-62.5-46174.2-71.2-179.64.100111.6Q48 Q49 R54 S55 M56Q48-Q52 WeakPolarHBondContact O-CG 3.38Å; Q48-Q52 PolarHBondContact O-N 3.1Å; Q49-Q52 PolarHBondContact O-N 3.36Å; Q52-R54 VanDerWaalsContact C-N 3.27Å; Q52-R54 PolarHBondContact O-N 2.79Å; Q52-S55 WeakPolarHBondContact CA-OG 3.25Å; Q52-S55 PolarHBondContact O-N 3.49Å; Q52-S55 VanDerWaalsContact O-N 3.16Å; Q52-S55 PolarHBondContact O-OG 3.13Å; Q52-M56 PolarHBondContact O-N 3.17Å
53L67Low66.6Low122 Ų122124.6 Ų124.664%0.63965%0.645SS**Hα-helixtrans-63.9-30.1174.9-70.1171000112.9Q49Q49-L53 HydrophobicContact CG-CD1 4.4Å; Q49-L53 WeakPolarHBondContact O-CB 3.45Å; Q49-L53 WeakPolarHBondContact O-CG 3.36Å; Q49-L53 PolarHBondContact O-N 3.35Å
54R58.1Low64Low197 Ų197129 Ų12974%0.74367%0.668SS**Hα-helixtrans-80.9-23.1175.8-166.6-178.5-179.1-150.9-0.3112.9K50 L51 Q52 M56K50-R54 WeakPolarHBondContact O-CB 3.37Å; K50-R54 PolarHBondContact O-N 2.93Å; L51-R54 PolarHBondContact O-N 3.31Å; Q52-R54 VanDerWaalsContact C-N 3.27Å; Q52-R54 PolarHBondContact O-N 2.79Å; R54-M56 VanDerWaalsContact C-N 3.31Å
55S54.5Low61.2Low94 Ų94132 Ų13266%0.65768%0.682SS**Hα-helixtrans-81.5-9.9173.7630000113.6L51 Q52L51-S55 PolarHBondContact O-N 3.35Å; L51-S55 PolarHBondContact O-OG 3.16Å; Q52-S55 WeakPolarHBondContact CA-OG 3.25Å; Q52-S55 PolarHBondContact O-N 3.49Å; Q52-S55 VanDerWaalsContact O-N 3.16Å; Q52-S55 PolarHBondContact O-OG 3.13Å
56M49.8Very low58.9Low153 Ų153134.1 Ų134.175%0.75469%0.694SS**SBendtrans-9293.7165-62.1-164.878.700108.6Q52 R54Q52-M56 PolarHBondContact O-N 3.17Å; R54-M56 VanDerWaalsContact C-N 3.31Å
57D41.6Very low56.4Low139 Ų139131.7 Ų131.774%0.74370%0.697SS**  trans-67.7153.6168.1-91.5-30.5000110.6L59D57-L59 PolarHBondContact O-N 3.04Å
58P51.5Low53.7Low121 Ų121134 Ų13479%0.78671%0.713SS**SBendtrans-76.484.6-164.231.2-34.8000111.6
59L44.1Very low51.4Low163 Ų163139.4 Ų139.485%0.85373%0.729SS**  trans-144.359.3175.7-14485.2000111.5D57D57-L59 PolarHBondContact O-N 3.04Å
60D42.2Very low48.9Very low137 Ų137142 Ų14273%0.73375%0.745SS**  trans178.286.6145.6-114.9-21.1000109.7
61M42.3Very low46.3Very low198 Ų198139.6 Ų139.698%0.97574%0.739SS**  trans-132.952.2166-72-64.4-73.800108.9
62A44.3Very low44.1Very low90 Ų90148.8 Ų148.874%0.74477%0.769SS**SBendtrans-125.21.1175.500000114
63T45.8Very low42.2Very low113 Ų113146.2 Ų146.269%0.69377%0.765SS**SBendtrans-145.693.4175.746.50000111.4
64L37.3Very low40.7Very low181 Ų181147 Ų14795%0.94877%0.77SS**  trans-179.1130.5134.8-96.9151.2000110.4
65E33.9Very low39.4Very low178 Ų178145.3 Ų145.383%0.83278%0.775SS**  trans-66163-174.8-90.2-81.4125.700114.3
66P44.7Very low38.2Very low114 Ų114149 Ų14974%0.7479%0.787SS**  trans-76.5133.5-170.8-9.727.3000113.5
67G36.7Very low37.5Very low60 Ų60147.1 Ų147.162%0.61979%0.787SS**  trans-174.4122.1167.200000112.6
68H33.8Very low36.8Very low194 Ų194145 Ų14590%0.89879%0.788SS**  trans8671.6166.5-47.4-68.3000117.4
69R36.7Very low35.6Very low211 Ų211143.3 Ų143.380%0.79678%0.784SS**  trans-60.5130.7145-178.7-168.6-113.3-115.33.1110.8
70L33.6Very low35.1Very low166 Ų166140.4 Ų140.487%0.86978%0.778SS**  trans-143.993.1140.1-75178.7000106.2
71L29.1Very low34.5Very low95 Ų95143 Ų14350%0.49779%0.786SS.*  66.791.284.2-166.780.8000111.6S73L71-S73 VanDerWaalsContact CD1-OG 3.3Å; L71-S73 WeakPolarHBondContact CD1-OG 3.48Å
72W28.5Very low34.1Very low267 Ų267141.5 Ų141.5100%1.01178%0.775SS**  -118.7122.4127.2-74.8-9.1000107.6
73S31.1Very low33.7Very low77 Ų77142.9 Ų142.954%0.53878%0.777SS.*  trans-80.3138.2-176.9-58.90000111L71L71-S73 VanDerWaalsContact CD1-OG 3.3Å; L71-S73 WeakPolarHBondContact CD1-OG 3.48Å
74N34.3Very low33.1Very low140 Ų140145.5 Ų145.575%0.74979%0.786SS**  38.5136.6128-49.2-33.8000117.4
75L30.8Very low33.1Very low160 Ų160147.6 Ų147.684%0.83878%0.781SS**  -149.9126.158.8-80.581.2000111.2
76N30.6Very low33.3Very low172 Ų172147.6 Ų147.692%0.9278%0.778SS**  trans-102.6125.3151.2-99.4-13.3000107.5
77P35.3Very low32.9Very low114 Ų114147.7 Ų147.774%0.7478%0.782SS**  trans-93.6140.7167.932.9-26.1000111.6
78A26.3Very low32.8Very low94 Ų94150.4 Ų150.478%0.77778%0.778SS**  trans68.9113.2152.100000117.4
79A26.5Very low33.3Very low85 Ų85144.6 Ų144.670%0.70276%0.76SS**  80.7128.475.200000114.3
80S32.4Very low33.5Very low103 Ų103139.3 Ų139.372%0.7276%0.761SS**  trans56.680.6154.163.40000118.1
81H30.8Very low34Very low192 Ų192137.2 Ų137.289%0.88976%0.755SS**  trans-92.892.3149.3-73.6-67.4000109.4
82H33.6Very low34.7Very low165 Ų165138.5 Ų138.576%0.76476%0.758SS**  trans-58.1133.2145.7-75.7-71.7000107.5L84H82-L84 PolarHBondContact O-N 2.94Å
83P35Very low35.6Very low120 Ų120132.3 Ų132.378%0.77974%0.744SS**  trans-68.8110.8174.227.4-29.5000107.3R85P83-R85 PolarHBondContact O-N 3.09Å
84L33.4Very low36.3Very low167 Ų167138.9 Ų138.987%0.87476%0.757SS**  trans-55.2113166.2-78.6164.7000107.8H82 K86H82-L84 PolarHBondContact O-N 2.94Å; L84-K86 PolarHBondContact O-N 3.45Å
85R38.8Very low36.5Very low225 Ų225142.7 Ų142.785%0.84976%0.761SS**  trans-45.9105.3163.9-112.6-87.8-174.3-166.1-0.8107.8P83 S87P83-R85 PolarHBondContact O-N 3.09Å; R85-S87 PolarHBondContact O-N 2.91Å; R85-S87 VanDerWaalsContact O-N 3.13Å
86K38.2Very low36.5Very low178 Ų178142.6 Ų142.677%0.77476%0.76SS**  trans-60.3113.5167.7-76.1160.8177.5171.70107.6L84 H88L84-K86 PolarHBondContact O-N 3.45Å; K86-H88 PolarHBondContact O-N 3.44Å
87S36Very low36.7Very low117 Ų117140.7 Ų140.782%0.81876%0.76SS**  trans-71.7110.916524.70000107.6R85 S89R85-S87 PolarHBondContact O-N 2.91Å; R85-S87 VanDerWaalsContact O-N 3.13Å; S87-S89 PolarHBondContact O-N 2.86Å
88H34.1Very low36.5Very low116 Ų116138.2 Ų138.254%0.53776%0.756SS.*  trans-65.6130.3173.3-66.6-78.1000109.5K86 E92K86-H88 PolarHBondContact O-N 3.44Å; H88-E92 IonicContact ND1-OE2 3.49Å
89S43.9Very low36.7Very low73 Ų73143.1 Ų143.151%0.5176%0.762SS.*  trans-68.6145.1165.872.80000109.3S87 V91 E92S87-S89 PolarHBondContact O-N 2.86Å; S89-V91 PolarHBondContact O-N 2.92Å; S89-E92 PolarHBondContact O-N 3.39Å
90A41.7Very low36.9Very low100 Ų100144.6 Ų144.683%0.82677%0.768SS**THydrogen-bonded Turntrans-61.6-3.6-171.500000115.4
91V42.7Very low36.8Very low121 Ų121147.1 Ų147.173%0.73377%0.773SS**THydrogen-bonded Turntrans-87.4-25.9-178.9175.30000112.5S89S89-V91 PolarHBondContact O-N 2.92Å
92E44.1Very low36.6Very low123 Ų123142.9 Ų142.958%0.57577%0.765SS**G310 helixtrans-83.9-15.5-174-72.7-177.3159.100114.7H88 S89 R94H88-E92 IonicContact ND1-OE2 3.49Å; S89-E92 PolarHBondContact O-N 3.39Å; E92-R94 VanDerWaalsContact C-N 3.29Å; E92-R94 PolarHBondContact O-N 2.95Å
93L47.6Very low36.4Very low136 Ų136139.7 Ų139.771%0.71276%0.761SS**G310 helixtrans-80.5-1.8-176.3-68.4177.6000114.7
94R45.5Very low36.5Very low216 Ų216140.5 Ų140.582%0.81576%0.759SS**G310 helixtrans-85.9-9.6-177-172.4172.4-87.5-1104114.2E92E92-R94 VanDerWaalsContact C-N 3.29Å; E92-R94 PolarHBondContact O-N 2.95Å
95W39Very low37.2Very low219 Ų219138.8 Ų138.883%0.8375%0.746SS**SBendtrans-124.85.3-165.2-68.496.4000117.6
96I30.8Very low37.1Very low159 Ų159134.2 Ų134.282%0.81574%0.739SS**  trans-12488.9177.6-47.6179.1000109.8
97S34.1Very low37.1Very low131 Ų131134 Ų13492%0.91674%0.74SS**  trans-130.3106.8160-174.90000107.3
98G31.7Very low37Very low63 Ų63132.1 Ų132.165%0.64973%0.732SS**  trans157.898.8174.100000114.7
99Q30.3Very low36.7Very low197 Ų197138 Ų13892%0.92175%0.749SS**  trans90.8119.1150.4-58.7175.126.900119.4
100S30.4Very low36Very low116 Ų116138.9 Ų138.981%0.81176%0.756SS**  trans-57.5172.7163.4-37.50000112.6
101D30.3Very low35.7Very low156 Ų156141.4 Ų141.483%0.83476%0.755SS**  cis-174.4169.330.4-160.8-0.4000110.5
102S27.9Very low35.2Very low103 Ų103141.8 Ų141.872%0.7276%0.758SS**  trans76.7137.2157.9-168.30000119.1
103S29.5Very low34.9Very low97 Ų97141.5 Ų141.568%0.67877%0.765SS**  cis-172.1146.52.343.60000110.5
104D36.6Very low34.3Very low137 Ų137143.9 Ų143.973%0.73377%0.772SS**  trans47.8141.9139.7-97.7-26000122.8
105E47.5Very low34.4Very low132 Ų132143.7 Ų143.762%0.61778%0.777SS**  cis-159.7155.833.8-71.8-68.6156.100113.4
106N37.6Very low34.9Very low129 Ų129136.4 Ų136.469%0.6977%0.77SS**  trans60.7143.2142.6-71.8-38.4000123.3
107E37.8Very low35.6Very low173 Ų173135.6 Ų135.681%0.80877%0.767SS**  cis-164.4153.425.5-136.1176-145.200114.9
108A33.7Very low36.4Very low77 Ų77137.5 Ų137.564%0.63677%0.765SS**  trans52.3123.9146.600000124.3
109W27.3Very low37.5Very low239 Ų239140 Ų14091%0.90576%0.759SS**  -178.9148.278.9-133.8-51.5000114.1
110S30.8Very low39.3Very low92 Ų92133.5 Ų133.564%0.64374%0.735SS**  trans78.393.3144.861.20000122.2
111N34.8Very low40.9Very low153 Ų153132.9 Ų132.982%0.81873%0.728SS**  35.3120.5123.4-59.2-31000119.9
112T32.8Very low42.6Very low129 Ų129133.8 Ų133.879%0.79173%0.725SS**  166.9111.9115.5-70.90000110.9
113V37.3Very low44.6Very low118 Ų118133.3 Ų133.372%0.71571%0.711SS**  trans67.6104.3153.5-171.80000117.9
114E34.3Very low46.6Very low185 Ų185134.9 Ų134.986%0.86470%0.703SS**  158134.797-134.5164.8-173.300110.3G116E114-G116 PolarHBondContact O-N 2.86Å
115K48.5Very low48.5Very low213 Ų213133 Ų13393%0.92669%0.692SS**  trans-67122.7-173.4-66.9168.8177.6176.80110.6
116G48.1Very low49.8Very low65 Ų65133.4 Ų133.467%0.6769%0.692SS**  trans150.456.4155.100000117.7E114E114-G116 PolarHBondContact O-N 2.86Å
117L47Very low51.6Low143 Ų143129.9 Ų129.975%0.74967%0.673SS**  trans-144.973.5161.6-72177.4000110.9Y124L117-Y124 HydrophobicContact CD2-CD2 4.35Å
118L49.5Very low53.3Low170 Ų170127 Ų12789%0.8966%0.661SS**  trans-99.128.3163.7-76.9173.6000111.8
119F54.8Low54.8Low117 Ų117132 Ų13251%0.51366%0.663SS.*SBendtrans-125.9134.7178.5-78.8-76.6000111E123F119-E123 HydrophobicContact CB-CB 4.17Å; F119-E123 HydrophobicContact CD1-CB 3.89Å; F119-E123 WeakPolarHBondContact CD1-OE2 3.43Å; F119-E123 HydrophobicContact CG-CB 4.48Å
120S68.1Low56.6Low60 Ų60126.9 Ų126.942%0.4265%0.647SS.*  trans-52.1143.9172.51770000109.8K122 E123 Y124S120-K122 PolarHBondContact O-N 3.3Å; S120-E123 PolarHBondContact N-OE2 3.36Å; S120-E123 WeakPolarHBondContact O-CA 3.34Å; S120-E123 WeakPolarHBondContact O-CB 3.38Å; S120-E123 PolarHBondContact O-N 2.88Å; S120-Y124 PolarHBondContact O-N 2.93Å
121P64.2Low58Low102 Ų102129.6 Ų129.666%0.66265%0.654SS**Hα-helixtrans-52-29.8176.3-28.935.4000113.7I125P121-I125 WeakPolarHBondContact O-CD1 3.24Å; P121-I125 VanDerWaalsContact O-CG1 3.3Å; P121-I125 WeakPolarHBondContact O-CG1 3.36Å; P121-I125 PolarHBondContact O-N 2.94Å
122K66.7Low59.2Low176 Ų176129.1 Ų129.177%0.76565%0.645SS**Hα-helixtrans-70.2-35.4172.4-92.8-177.7172.8178.50113.5S120 K126S120-K122 PolarHBondContact O-N 3.3Å; K122-K126 WeakPolarHBondContact O-CB 3.38Å; K122-K126 PolarHBondContact O-N 3.45Å; K122-K126 VanDerWaalsContact O-N 3.09Å
123E70.1Confident60.5Low93 Ų93132.2 Ų132.244%0.43565%0.648SS.*Hα-helixtrans-77.5-34.1177.4-72.3176.4140.200112.1F119 S120 K126 N127F119-E123 HydrophobicContact CB-CB 4.17Å; F119-E123 HydrophobicContact CD1-CB 3.89Å; F119-E123 WeakPolarHBondContact CD1-OE2 3.43Å; F119-E123 HydrophobicContact CG-CB 4.48Å; S120-E123 PolarHBondContact N-OE2 3.36Å; S120-E123 WeakPolarHBondContact O-CA 3.34Å; S120-E123 WeakPolarHBondContact O-CB 3.38Å; S120-E123 PolarHBondContact O-N 2.88Å; E123-K126 PolarHBondContact O-N 2.92Å; E123-N127 WeakPolarHBondContact O-CB 3.35Å; E123-N127 PolarHBondContact O-N 3.38Å
124Y71.9Confident61.6Low129 Ų129132.9 Ų132.951%0.50665%0.646SS.*Hα-helixtrans-59.9-50172.3-175.9-101.8000110.9L117 S120 K126 N127 M128L117-Y124 HydrophobicContact CD2-CD2 4.35Å; S120-Y124 PolarHBondContact O-N 2.93Å; Y124-K126 VanDerWaalsContact C-N 3.33Å; Y124-K126 PolarHBondContact O-N 2.92Å; Y124-N127 PolarHBondContact O-N 3.49Å; Y124-M128 HydrophobicContact CE1-CG 4.31Å; Y124-M128 HydrophobicContact CE1-SD 3.89Å; Y124-M128 VanDerWaalsContact O-CG 3.28Å; Y124-M128 WeakPolarHBondContact O-CG 3.34Å; Y124-M128 PolarHBondContact O-N 3.43Å; Y124-M128 VanDerWaalsContact O-N 3.1Å
125I75.8Confident62Low97 Ų97129.6 Ų129.650%0.49764%0.64SS.*Hα-helixtrans-60.5-44.2175.6-64.9166.3000110.3P121 N127 M128P121-I125 WeakPolarHBondContact O-CD1 3.24Å; P121-I125 VanDerWaalsContact O-CG1 3.3Å; P121-I125 WeakPolarHBondContact O-CG1 3.36Å; P121-I125 PolarHBondContact O-N 2.94Å; I125-N127 VanDerWaalsContact C-N 3.32Å; I125-N127 PolarHBondContact O-N 3.29Å; I125-M128 PolarHBondContact O-N 2.78Å
126K74.3Confident61.8Low142 Ų142124 Ų12462%0.61763%0.629SS**Hα-helixtrans-65-33180-167.1175.8-178-178.30113K122 E123 Y124K122-K126 WeakPolarHBondContact O-CB 3.38Å; K122-K126 PolarHBondContact O-N 3.45Å; K122-K126 VanDerWaalsContact O-N 3.09Å; E123-K126 PolarHBondContact O-N 2.92Å; Y124-K126 VanDerWaalsContact C-N 3.33Å; Y124-K126 PolarHBondContact O-N 2.92Å
127N75.6Confident61.4Low55 Ų55127 Ų12729%0.29463%0.629SS.*Hα-helixtrans-74.7-30.6176.6-77.5-6.3000112.4E123 Y124 I125 W129 K130E123-N127 WeakPolarHBondContact O-CB 3.35Å; E123-N127 PolarHBondContact O-N 3.38Å; Y124-N127 PolarHBondContact O-N 3.49Å; I125-N127 VanDerWaalsContact C-N 3.32Å; I125-N127 PolarHBondContact O-N 3.29Å; N127-W129 PolarHBondContact O-N 3.42Å; N127-W129 VanDerWaalsContact O-N 3.15Å; N127-K130 PolarHBondContact O-N 3.26Å; N127-K130 VanDerWaalsContact O-N 3.11Å; N127-K130 WeakPolarHBondContact OD1-CD 3.28Å; N127-K130 VanDerWaalsContact OD1-CE 3.3Å; N127-K130 WeakPolarHBondContact OD1-CE 3.42Å; N127-K130 PolarHBondContact OD1-NZ 3.17Å
128M73.7Confident61Low112 Ų112126.4 Ų126.455%0.55263%0.627SS**Hα-helixtrans-61.4-24175.9-62-144.2-48.300113.9Y124 I125Y124-M128 HydrophobicContact CE1-CG 4.31Å; Y124-M128 HydrophobicContact CE1-SD 3.89Å; Y124-M128 VanDerWaalsContact O-CG 3.28Å; Y124-M128 WeakPolarHBondContact O-CG 3.34Å; Y124-M128 PolarHBondContact O-N 3.43Å; Y124-M128 VanDerWaalsContact O-N 3.1Å; I125-M128 PolarHBondContact O-N 2.78Å
129W65.2Low60.4Low183 Ų183125.3 Ų125.369%0.69362%0.617SS**THydrogen-bonded Turntrans-93.8-4.7179-65.698.1000114.1N127N127-W129 PolarHBondContact O-N 3.42Å; N127-W129 VanDerWaalsContact O-N 3.15Å
130K65.4Low59.5Low131 Ų131130.1 Ų130.157%0.5763%0.631SS**THydrogen-bonded Turntrans-79.7-31.6-177.9-72178.6-176.41720113.1N127N127-K130 PolarHBondContact O-N 3.26Å; N127-K130 VanDerWaalsContact O-N 3.11Å; N127-K130 WeakPolarHBondContact OD1-CD 3.28Å; N127-K130 VanDerWaalsContact OD1-CE 3.3Å; N127-K130 WeakPolarHBondContact OD1-CE 3.42Å; N127-K130 PolarHBondContact OD1-NZ 3.17Å
131D60.5Low57.8Low148 Ų148135 Ų13579%0.79165%0.65SS**SBendtrans-100.62.5-176.8-58.6-31.8000113.1K133D131-K133 PolarHBondContact O-N 2.97Å; D131-K133 VanDerWaalsContact O-N 3.07Å
132F58.6Low56.3Low143 Ų143134.6 Ų134.663%0.62765%0.649SS**  trans-80.689.9-179.7-155.9-91.6000110.6I134F132-I134 HydrophobicContact CD1-CG1 4.12Å; F132-I134 HydrophobicContact CE1-CD1 4.34Å; F132-I134 HydrophobicContact CE1-CG1 3.84Å
133K61.9Low54.8Low194 Ų194132.2 Ų132.284%0.84366%0.655SS**  trans-98.2114.3171-67.9-166.2179-177.60110.7D131D131-K133 PolarHBondContact O-N 2.97Å; D131-K133 VanDerWaalsContact O-N 3.07Å
134I58.7Low52.8Low133 Ų133132.7 Ų132.768%0.68267%0.668SS**  trans-75.4127.4168.1-60.1169.6000107.6F132 S136F132-I134 HydrophobicContact CD1-CG1 4.12Å; F132-I134 HydrophobicContact CE1-CD1 4.34Å; F132-I134 HydrophobicContact CE1-CG1 3.84Å; I134-S136 PolarHBondContact O-N 2.9Å; I134-S136 VanDerWaalsContact O-N 3.14Å
135P43.5Very low51.1Low115 Ų115131.8 Ų131.875%0.74768%0.681SS**  trans-62.5116.9171-14.927.8000109N137P135-N137 VanDerWaalsContact C-N 3.28Å; P135-N137 PolarHBondContact O-N 3.45Å
136S43.6Very low49.3Very low97 Ų97133.6 Ų133.668%0.67870%0.696SS**  trans-70.582.6177.5-1700000109.9I134 N138I134-S136 PolarHBondContact O-N 2.9Å; I134-S136 VanDerWaalsContact O-N 3.14Å; S136-N138 PolarHBondContact O-N 3.2Å; S136-N138 VanDerWaalsContact O-N 3.12Å; S136-N138 PolarHBondContact OG-OD1 3.01Å; S136-N138 VanDerWaalsContact OG-OD1 3.05Å
137N39.6Very low47.3Very low126 Ų126135.7 Ų135.767%0.67471%0.708SS**  trans-79.493.1167.3-153.114.6000108.1P135 H139P135-N137 VanDerWaalsContact C-N 3.28Å; P135-N137 PolarHBondContact O-N 3.45Å; N137-H139 PolarHBondContact O-N 3.36Å
138N38.4Very low45.5Very low131 Ų131138.9 Ų138.970%0.70174%0.735SS**  trans-67.790.5174.9-69.2-27000109.4S136 R140S136-N138 PolarHBondContact O-N 3.2Å; S136-N138 VanDerWaalsContact O-N 3.12Å; S136-N138 PolarHBondContact OG-OD1 3.01Å; S136-N138 VanDerWaalsContact OG-OD1 3.05Å; N138-R140 VanDerWaalsContact C-N 3.26Å; N138-R140 PolarHBondContact O-N 3.42Å
139H38Very low43.7Very low148 Ų148138 Ų13869%0.68575%0.745SS**  trans-74.988.3162.5-77.8-51.7000109.5N137 M141N137-H139 PolarHBondContact O-N 3.36Å; H139-M141 PolarHBondContact O-N 2.83Å; H139-M141 VanDerWaalsContact O-N 3.16Å
140R35.4Very low42.7Very low217 Ų217135.7 Ų135.782%0.81975%0.753SS**  trans-58.8106.8158.8-177.9-175.2-82.2-105.84.4107.7N138 S142N138-R140 VanDerWaalsContact C-N 3.26Å; N138-R140 PolarHBondContact O-N 3.42Å; R140-S142 PolarHBondContact O-N 2.83Å
141M33.8Very low41.1Very low164 Ų164133.3 Ų133.381%0.80877%0.766SS**  trans-70.9111.8160.9-67.5-79.49400107.6H139H139-M141 PolarHBondContact O-N 2.83Å; H139-M141 VanDerWaalsContact O-N 3.16Å
142S32.6Very low39.9Very low92 Ų92131.7 Ų131.764%0.64376%0.758SS**  trans-150.2117.6161.8-68.70000108.8R140R140-S142 PolarHBondContact O-N 2.83Å
143S33.3Very low39.2Very low127 Ų127134 Ų13489%0.88877%0.77SS**  trans-69.5126.7171.2-43.20000110.3
144S29.8Very low38Very low103 Ų103134.4 Ų134.472%0.7277%0.766SS**  trans-175109.2155.353.70000107.1
145S36.2Very low36.9Very low109 Ų109139.7 Ų139.776%0.76278%0.778SS**  42.499.989.6-169.20000112.1
146V36.5Very low36.5Very low136 Ų136140 Ų14082%0.82477%0.773SS**  -177.3138.9110.8-87.30000110.3
147H33.2Very low36.1Very low185 Ų185146.1 Ų146.186%0.85678%0.781SS**  trans-62.7149.1165.5-62.4-49.3000111.7
148S37Very low36Very low123 Ų123149.4 Ų149.486%0.8679%0.789SS**  -169.9121125.3-77.50000110.3
149A35.8Very low35.7Very low93 Ų93152.2 Ų152.277%0.76979%0.79SS**  trans-71.7174158.500000109.4
150P44.5Very low35.4Very low134 Ų134154.1 Ų154.187%0.8779%0.791SS**  -148.6165.376.435.2-15000114.6
151G32Very low35.5Very low81 Ų81150.8 Ų150.884%0.83579%0.789SS**  trans163.960.2171.300000114.1
152D34.6Very low35.9Very low115 Ų115152.7 Ų152.762%0.61579%0.793SS**  trans-56.7135.4-179.3-150.9-4.5000113.3R154D152-R154 IonicContact OD1-NE 3.67Å
153Q44.5Very low36Very low191 Ų191153.6 Ų153.689%0.89380%0.799SS**  -175.696.3121.7-97.9178.763.600113.5
154R36.2Very low36.2Very low203 Ų203156.4 Ų156.477%0.76680%0.799SS**  trans-3.2135.9144.8-53.8176.9-176.3-159.9-3.8118.9D152D152-R154 IonicContact OD1-NE 3.67Å
155R37Very low36.9Very low244 Ų244159.6 Ų159.692%0.92180%0.802SS**  174.2152.3113.4-90.8170.7-164-138.45.5108.7
156L34.7Very low37.1Very low122 Ų122163.7 Ų163.764%0.63981%0.809SS**  cis-174.5133.8-33.5-161.581.1000104.6
157R34.3Very low37.8Very low224 Ų224164.6 Ų164.685%0.84581%0.81SS**  trans72.4141.3162.3-40.4-162.7165.8158.5-4.8115.2
158K37.3Very low38.2Very low195 Ų195159.1 Ų159.185%0.84880%0.803SS**  cis-168.3138.846.5-167.7166.4-179.91790110.9
159R33.7Very low38.7Very low191 Ų191162.6 Ų162.672%0.72180%0.802SS**  trans8.2146.5153-82.4-167.4161.9-167.8-3.5122.5
160R31.5Very low39.5Very low188 Ų188164.1 Ų164.171%0.70980%0.804SS**  trans77139.2138.6-85.2-177-178.2177.8-6.2114.9
161D38Very low40.2Very low147 Ų147165.2 Ų165.279%0.78680%0.803SS**  cis-150.7171.426.7-88.1-45.4000112.2
162K40.5Very low41.6Very low203 Ų203167.7 Ų167.788%0.88380%0.801SS**  trans-74.1146.1172.8-64.5179.2172.4-175.10112.3
163S35.1Very low43.4Very low111 Ų111168.4 Ų168.478%0.77681%0.81SS**  trans-172109.4142.833.90000106.7
164E37.3Very low44.8Very low187 Ų187165.2 Ų165.287%0.87480%0.803SS**  57.790.796-71.7-170.9178.200114.1
165Q44.7Very low46.8Very low169 Ų169160.8 Ų160.879%0.7980%0.801SS**  46.7117126.6-153.6168.411.500119.4
166E41.5Very low49Very low196 Ų196157.6 Ų157.692%0.91679%0.794SS**  trans-151.6131.4137.9-80.8-141.916300111.1
167D49.4Very low51.5Low155 Ų155155 Ų15583%0.82979%0.785SS**  trans-79138.3170.2-74.1-57.4000111
168G42.4Very low54Low69 Ų69150.2 Ų150.271%0.71177%0.77SS**  trans168.8108165.400000119.9
169K48.5Very low56.2Low196 Ų196147.9 Ų147.985%0.85276%0.762SS**  trans74.2133.8150.8-50.8179.4-172.6178.20119.8
170P51.9Low58.4Low125 Ų125144.3 Ų144.381%0.81276%0.755SS**  trans-79.8128.7171.531-31.5000112.2V172P170-V172 PolarHBondContact O-N 2.82Å
171N59.4Low60.9Low158 Ų158137.6 Ų137.685%0.84574%0.735SS**  trans-70.1118.8177.5-70.5-38.8000111.8T173N171-T173 PolarHBondContact O-N 3.24Å
172V60.3Low63.1Low132 Ų132134.3 Ų134.380%0.872%0.717SS**  trans-75.5114.8173.71760000109.4P170 V174P170-V172 PolarHBondContact O-N 2.82Å; V172-V174 PolarHBondContact O-N 3.2Å
173T73.1Confident65.2Low130 Ų130133.3 Ų133.380%0.79871%0.707SS**  trans-76.1115.4175.4-53.80000110.3N171N171-T173 PolarHBondContact O-N 3.24Å
174V73.1Confident67.4Low124 Ų124133 Ų13375%0.75269%0.693SS**PPolyproline II helixtrans-90.7122.1171-178.70000108.9V172V172-V174 PolarHBondContact O-N 3.2Å
175P80.1Confident69.5Low111 Ų111126 Ų12672%0.72167%0.668SS**PPolyproline II helixtrans-68.1138.8178.926.2-32.3000111.3
176K83Confident71.4Confident177 Ų177123.2 Ų123.277%0.7766%0.655SS**PPolyproline II helixtrans-62.1128.8176.2-172176.1-179.9178.20109.7
177P87.4Confident73.3Confident68 Ų68119.8 Ų119.844%0.44263%0.634SS.*PPolyproline II helixtrans-64.2154.5-179.326.1-34.3000111.7L182P177-L182 HydrophobicContact CG-CD2 4.2Å
178F85.2Confident74.6Confident122 Ų122117.2 Ų117.254%0.53562%0.619SS.*PPolyproline II helixtrans-69.7147.7179.346.3-86.6000111M180 T181 L182F178-M180 HydrophobicContact CD2-CB 3.9Å; F178-M180 HydrophobicContact CD2-CE 3.91Å; F178-M180 HydrophobicContact CE2-CB 4.38Å; F178-M180 HydrophobicContact CE2-CE 3.79Å; F178-M180 PolarHBondContact O-N 3.43Å; F178-M180 VanDerWaalsContact O-N 3.09Å; F178-T181 VanDerWaalsContact CD1-OG1 3.31Å; F178-T181 WeakPolarHBondContact CD1-OG1 3.33Å; F178-T181 WeakPolarHBondContact CD2-OG1 3.42Å; F178-T181 VanDerWaalsContact CE1-OG1 3.24Å; F178-T181 WeakPolarHBondContact CE1-OG1 3.33Å; F178-T181 HydrophobicContact CE2-CG2 4.32Å; F178-T181 WeakPolarHBondContact CE2-OG1 3.43Å; F178-T181 WeakPolarHBondContact CG-OG1 3.46Å; F178-T181 HydrophobicContact CZ-CG2 4.22Å; F178-T181 WeakPolarHBondContact CZ-OG1 2.97Å; F178-T181 WeakPolarHBondContact O-CB 3.43Å; F178-T181 PolarHBondContact O-N 2.88Å; F178-T181 PolarHBondContact O-OG1 3.4Å; F178-T181 VanDerWaalsContact O-OG1 3.04Å; F178-L182 PolarHBondContact O-N 3.37Å
179H84.2Confident76.4Confident147 Ų147122.5 Ų122.568%0.68162%0.623SS**Hα-helixtrans-58.6-27.5-176.9-67.788.6000113.4L182 R183H179-L182 PolarHBondContact O-N 3.34Å; H179-R183 PolarHBondContact O-N 3.34Å
180M80.4Confident77.9Confident115 Ų115122.9 Ų122.957%0.56762%0.619SS**Hα-helixtrans-69.4-31.7174172-177.461.800112.6F178 L182 R183 E184F178-M180 HydrophobicContact CD2-CB 3.9Å; F178-M180 HydrophobicContact CD2-CE 3.91Å; F178-M180 HydrophobicContact CE2-CB 4.38Å; F178-M180 HydrophobicContact CE2-CE 3.79Å; F178-M180 PolarHBondContact O-N 3.43Å; F178-M180 VanDerWaalsContact O-N 3.09Å; M180-L182 VanDerWaalsContact C-N 3.32Å; M180-L182 PolarHBondContact O-N 2.87Å; M180-R183 PolarHBondContact O-N 2.87Å; M180-E184 WeakPolarHBondContact O-CG 3.46Å; M180-E184 PolarHBondContact O-N 3.45Å
181T83.1Confident79.1Confident47 Ų47119.9 Ų119.929%0.28861%0.61SS.*Hα-helixtrans-64.5-40.6171.9-26.20000110.8F178 E184 A185F178-T181 VanDerWaalsContact CD1-OG1 3.31Å; F178-T181 WeakPolarHBondContact CD1-OG1 3.33Å; F178-T181 WeakPolarHBondContact CD2-OG1 3.42Å; F178-T181 VanDerWaalsContact CE1-OG1 3.24Å; F178-T181 WeakPolarHBondContact CE1-OG1 3.33Å; F178-T181 HydrophobicContact CE2-CG2 4.32Å; F178-T181 WeakPolarHBondContact CE2-OG1 3.43Å; F178-T181 WeakPolarHBondContact CG-OG1 3.46Å; F178-T181 HydrophobicContact CZ-CG2 4.22Å; F178-T181 WeakPolarHBondContact CZ-OG1 2.97Å; F178-T181 WeakPolarHBondContact O-CB 3.43Å; F178-T181 PolarHBondContact O-N 2.88Å; F178-T181 PolarHBondContact O-OG1 3.4Å; F178-T181 VanDerWaalsContact O-OG1 3.04Å; T181-E184 PolarHBondContact O-N 3.49Å; T181-A185 WeakPolarHBondContact O-CB 3.23Å; T181-A185 PolarHBondContact O-N 2.9Å
182L84.6Confident80.1Confident79 Ų79115.8 Ų115.841%0.41459%0.591SS.*Hα-helixtrans-66.7-42.1178.9-61.2177.6000110.7P177 F178 H179 M180 E184 A185 E186P177-L182 HydrophobicContact CG-CD2 4.2Å; F178-L182 PolarHBondContact O-N 3.37Å; H179-L182 PolarHBondContact O-N 3.34Å; M180-L182 VanDerWaalsContact C-N 3.32Å; M180-L182 PolarHBondContact O-N 2.87Å; L182-E184 PolarHBondContact O-N 3.07Å; L182-A185 PolarHBondContact O-N 3.08Å; L182-E186 WeakPolarHBondContact O-CG 3.38Å; L182-E186 PolarHBondContact O-N 3.33Å
183R84.1Confident81.1Confident181 Ų181114.6 Ų114.668%0.68358%0.575SS**Hα-helixtrans-59.7-43.9174.2-176.3-173.9-74-172.7-3.9112.2H179 M180 R187H179-R183 PolarHBondContact O-N 3.34Å; M180-R183 PolarHBondContact O-N 2.87Å; R183-R187 WeakPolarHBondContact O-CG 3.48Å; R183-R187 PolarHBondContact O-N 3Å; R183-R187 VanDerWaalsContact O-N 3.13Å
184E82.8Confident81.5Confident104 Ų104110.9 Ų110.949%0.48655%0.553SS.*Hα-helixtrans-67.8-41.6177.1-73.2-179.7168.400112M180 T181 L182 E186 R187 L188M180-E184 WeakPolarHBondContact O-CG 3.46Å; M180-E184 PolarHBondContact O-N 3.45Å; T181-E184 PolarHBondContact O-N 3.49Å; L182-E184 PolarHBondContact O-N 3.07Å; E184-E186 VanDerWaalsContact C-N 3.32Å; E184-E186 PolarHBondContact O-N 3.02Å; E184-R187 WeakPolarHBondContact O-CB 3.35Å; E184-R187 PolarHBondContact O-N 3.29Å; E184-R187 VanDerWaalsContact O-N 3.15Å; E184-L188 WeakPolarHBondContact O-CG 3.43Å; E184-L188 PolarHBondContact O-N 3.19Å
185A80.8Confident81.8Confident41 Ų41115.7 Ų115.734%0.33956%0.557SS.*Hα-helixtrans-62-37.7175.700000112.4T181 L182 L188 K189T181-A185 WeakPolarHBondContact O-CB 3.23Å; T181-A185 PolarHBondContact O-N 2.9Å; L182-A185 PolarHBondContact O-N 3.08Å; A185-L188 PolarHBondContact O-N 3.14Å; A185-K189 VanDerWaalsContact O-CG 3.3Å; A185-K189 WeakPolarHBondContact O-CG 3.26Å; A185-K189 PolarHBondContact O-N 2.88Å
186E84.1Confident81.8Confident111 Ų111113.7 Ų113.752%0.51955%0.546SS..Hα-helixtrans-67.9-35.6173.6-75.8177.9-172.400112.9L182 E184 K189 R190L182-E186 WeakPolarHBondContact O-CG 3.38Å; L182-E186 PolarHBondContact O-N 3.33Å; E184-E186 VanDerWaalsContact C-N 3.32Å; E184-E186 PolarHBondContact O-N 3.02Å; E186-K189 PolarHBondContact O-N 3.49Å; E186-R190 WeakPolarHBondContact O-CG 3.49Å; E186-R190 PolarHBondContact O-N 3.46Å; E186-R190 VanDerWaalsContact O-N 3.09Å
187R80.8Confident81.9Confident124 Ų124109.1 Ų109.147%0.46853%0.527SS..Hα-helixtrans-65.5-41.4173.7-74.3-178.464-162.5-2112.1R183 E184 R190 G191 V192R183-R187 WeakPolarHBondContact O-CG 3.48Å; R183-R187 PolarHBondContact O-N 3Å; R183-R187 VanDerWaalsContact O-N 3.13Å; E184-R187 WeakPolarHBondContact O-CB 3.35Å; E184-R187 PolarHBondContact O-N 3.29Å; E184-R187 VanDerWaalsContact O-N 3.15Å; R187-R190 PolarHBondContact O-N 3.36Å; R187-G191 PolarHBondContact O-N 2.86Å; R187-V192 PolarHBondContact O-N 3.31Å
188L76.8Confident81.9Confident100 Ų100108.7 Ų108.752%0.52452%0.523SS..Hα-helixtrans-62-42.6173.6-69172000111.3E184 A185 R190 G191E184-L188 WeakPolarHBondContact O-CG 3.43Å; E184-L188 PolarHBondContact O-N 3.19Å; A185-L188 PolarHBondContact O-N 3.14Å; L188-R190 PolarHBondContact O-N 3.45Å; L188-G191 PolarHBondContact O-N 2.98Å
189K80Confident82Confident181 Ų181108.9 Ų108.979%0.78753%0.526SS*.Hα-helixtrans-61.3-29.3174.6-74.1175.6-177.8-176.30113.3A185 E186 G191A185-K189 VanDerWaalsContact O-CG 3.3Å; A185-K189 WeakPolarHBondContact O-CG 3.26Å; A185-K189 PolarHBondContact O-N 2.88Å; E186-K189 PolarHBondContact O-N 3.49Å; K189-G191 PolarHBondContact O-N 3.42Å
190R80.5Confident82.2Confident203 Ų203109.8 Ų109.877%0.76652%0.523SS*.THydrogen-bonded Turntrans-823.7174.9-68.4176.6-173.2-122.13.7113.4E186 R187 L188 V192E186-R190 WeakPolarHBondContact O-CG 3.49Å; E186-R190 PolarHBondContact O-N 3.46Å; E186-R190 VanDerWaalsContact O-N 3.09Å; R187-R190 PolarHBondContact O-N 3.36Å; L188-R190 PolarHBondContact O-N 3.45Å; R190-V192 HydrophobicContact CB-CG2 4.36Å; R190-V192 PolarHBondContact O-N 2.94Å
191G77.4Confident82.7Confident62 Ų62108 Ų10864%0.63951%0.513SS*.THydrogen-bonded Turntrans70.213.8177.700000114.4R187 L188 K189 K193R187-G191 PolarHBondContact O-N 2.86Å; L188-G191 PolarHBondContact O-N 2.98Å; K189-G191 PolarHBondContact O-N 3.42Å; G191-K193 PolarHBondContact O-N 3.03Å
192V80.7Confident83.2Confident72 Ų72109.8 Ų109.844%0.43652%0.521SS..  trans-79.9104.6177.1-178.60000108.1R187 R190 T194R187-V192 PolarHBondContact O-N 3.31Å; R190-V192 HydrophobicContact CB-CG2 4.36Å; R190-V192 PolarHBondContact O-N 2.94Å; V192-T194 PolarHBondContact O-N 3.03Å
193K81.6Confident83.4Confident107 Ų107111.6 Ų111.647%0.46553%0.529SS..  trans-57138.1178.8-62.2-170.7-174.2-168.90111.1G191 E197 V198 E201G191-K193 PolarHBondContact O-N 3.03Å; K193-E197 WeakPolarHBondContact CA-OE2 3.36Å; K193-V198 HydrophobicContact CB-CG2 3.97Å; K193-V198 HydrophobicContact CD-CG2 4.33Å; K193-E201 IonicContact NZ-OE1 3.31Å; K193-E201 PolarHBondContact NZ-OE1 2.63Å; K193-E201 IonicContact NZ-OE2 2.69Å; K193-E201 PolarHBondContact NZ-OE2 3.45Å
194T80.4Confident83.9Confident53 Ų53106.6 Ų106.633%0.32551%0.514SS..  trans-78.4150.5175.6-55.20000109.3V192 S196 E197 V198V192-T194 PolarHBondContact O-N 3.03Å; T194-S196 WeakPolarHBondContact CG2-OG 3.3Å; T194-S196 PolarHBondContact O-N 3.31Å; T194-S196 VanDerWaalsContact O-N 3.12Å; T194-E197 PolarHBondContact N-OE2 3.36Å; T194-E197 WeakPolarHBondContact O-CA 3.43Å; T194-E197 VanDerWaalsContact O-CB 3.26Å; T194-E197 WeakPolarHBondContact O-CB 3.41Å; T194-E197 PolarHBondContact O-N 3.25Å; T194-V198 PolarHBondContact O-N 2.94Å
195R80.7Confident84.4Confident224 Ų224106.1 Ų106.185%0.84551%0.514SS*.Hα-helixtrans-51.2-38177.4-178.4178.1175-179.1-0.4112.7E197 E199R195-E197 VanDerWaalsContact C-N 3.33Å; R195-E197 PolarHBondContact O-N 3.4Å; R195-E199 PolarHBondContact O-N 3.07Å
196S78.7Confident84.9Confident70 Ų70110.7 Ų110.749%0.4953%0.526SS..Hα-helixtrans-66.1-31.5175.751.70000113.7T194 R200T194-S196 WeakPolarHBondContact CG2-OG 3.3Å; T194-S196 PolarHBondContact O-N 3.31Å; T194-S196 VanDerWaalsContact O-N 3.12Å; S196-R200 WeakPolarHBondContact O-CG 3.38Å; S196-R200 PolarHBondContact O-N 3.46Å; S196-R200 VanDerWaalsContact O-N 3.07Å
197E85.2Confident85.3Confident81 Ų81109.2 Ų109.238%0.37952%0.516SS..Hα-helixtrans-72.4-43.9178.3-169170.7-158.100110.6K193 T194 R195 E199 R200 E201K193-E197 WeakPolarHBondContact CA-OE2 3.36Å; T194-E197 PolarHBondContact N-OE2 3.36Å; T194-E197 WeakPolarHBondContact O-CA 3.43Å; T194-E197 VanDerWaalsContact O-CB 3.26Å; T194-E197 WeakPolarHBondContact O-CB 3.41Å; T194-E197 PolarHBondContact O-N 3.25Å; R195-E197 VanDerWaalsContact C-N 3.33Å; R195-E197 PolarHBondContact O-N 3.4Å; E197-E199 VanDerWaalsContact C-N 3.31Å; E197-E199 PolarHBondContact O-N 3.13Å; E197-R200 WeakPolarHBondContact O-CB 3.45Å; E197-R200 PolarHBondContact O-N 3.29Å; E197-E201 WeakPolarHBondContact O-CG 3.3Å; E197-E201 PolarHBondContact O-N 2.66Å
198V87.6Confident85.8Confident58 Ų58107.9 Ų107.935%0.35252%0.515SS..Hα-helixtrans-63.9-36.2174.1177.40000111.9K193 T194 E201 N202K193-V198 HydrophobicContact CB-CG2 3.97Å; K193-V198 HydrophobicContact CD-CG2 4.33Å; T194-V198 PolarHBondContact O-N 2.94Å; V198-E201 PolarHBondContact O-N 2.9Å; V198-N202 PolarHBondContact O-N 2.95Å; V198-N202 PolarHBondContact O-ND2 3.43Å
199E88.6Confident86.5Confident126 Ų126108.6 Ų108.659%0.58952%0.518SS*.Hα-helixtrans-66.1-39.6174.4-172.2173.5-169.200111.7R195 E197 N202 M203R195-E199 PolarHBondContact O-N 3.07Å; E197-E199 VanDerWaalsContact C-N 3.31Å; E197-E199 PolarHBondContact O-N 3.13Å; E199-N202 PolarHBondContact O-N 2.97Å; E199-M203 WeakPolarHBondContact O-CG 3.46Å; E199-M203 PolarHBondContact O-N 3.39Å
200R87.6Confident86.9Confident166 Ų166105.6 Ų105.663%0.62651%0.507SS*.Hα-helixtrans-63-43.5172.8-76.8-167.86668.410.3112.3S196 E197 M203 E204S196-R200 WeakPolarHBondContact O-CG 3.38Å; S196-R200 PolarHBondContact O-N 3.46Å; S196-R200 VanDerWaalsContact O-N 3.07Å; E197-R200 WeakPolarHBondContact O-CB 3.45Å; E197-R200 PolarHBondContact O-N 3.29Å; R200-M203 PolarHBondContact O-N 2.86Å; R200-E204 PolarHBondContact O-N 2.93Å
201E91.3Very high87.4Confident78 Ų7899.5 Ų99.536%0.36449%0.487SS..Hα-helixtrans-62.1-42.4177.6-71.8177.1175.400111.6K193 E197 V198 M203 E204 L205K193-E201 IonicContact NZ-OE1 3.31Å; K193-E201 PolarHBondContact NZ-OE1 2.63Å; K193-E201 IonicContact NZ-OE2 2.69Å; K193-E201 PolarHBondContact NZ-OE2 3.45Å; E197-E201 WeakPolarHBondContact O-CG 3.3Å; E197-E201 PolarHBondContact O-N 2.66Å; V198-E201 PolarHBondContact O-N 2.9Å; E201-M203 PolarHBondContact O-N 2.89Å; E201-E204 PolarHBondContact O-N 2.98Å; E201-L205 WeakPolarHBondContact O-CG 3.3Å; E201-L205 PolarHBondContact O-N 2.81Å
202N92.4Very high87.8Confident84 Ų84102 Ų10245%0.44949%0.485SS..Hα-helixtrans-66.1-37.3176.1-83.3-55.8000113.3V198 E199 E204 L205 K206V198-N202 PolarHBondContact O-N 2.95Å; V198-N202 PolarHBondContact O-ND2 3.43Å; E199-N202 PolarHBondContact O-N 2.97Å; N202-E204 VanDerWaalsContact C-N 3.32Å; N202-L205 PolarHBondContact O-N 3.23Å; N202-K206 WeakPolarHBondContact O-CG 3.43Å; N202-K206 PolarHBondContact O-N 3.47Å
203M90.2Very high87.9Confident117 Ų117101.9 Ų101.958%0.57649%0.485SS*.Hα-helixtrans-65.4-38174.7-73.9-61.8-63.100111.6E199 R200 E201 K206 R207E199-M203 WeakPolarHBondContact O-CG 3.46Å; E199-M203 PolarHBondContact O-N 3.39Å; R200-M203 PolarHBondContact O-N 2.86Å; E201-M203 PolarHBondContact O-N 2.89Å; M203-K206 PolarHBondContact O-N 3.11Å; M203-R207 WeakPolarHBondContact O-CB 3.32Å; M203-R207 PolarHBondContact O-N 2.88Å
204E93.1Very high88Confident77 Ų77101.7 Ų101.736%0.3649%0.486SS..Hα-helixtrans-65.3-43.9175.6-165.963.6-139.300111.6R200 E201 N202 K206 R207 Q208R200-E204 PolarHBondContact O-N 2.93Å; E201-E204 PolarHBondContact O-N 2.98Å; N202-E204 VanDerWaalsContact C-N 3.32Å; E204-K206 VanDerWaalsContact C-N 3.34Å; E204-K206 PolarHBondContact O-N 3.32Å; E204-R207 WeakPolarHBondContact O-CB 3.48Å; E204-R207 PolarHBondContact O-N 3.23Å; E204-Q208 WeakPolarHBondContact O-CG 3.36Å; E204-Q208 PolarHBondContact O-N 2.65Å
205L93.3Very high87.8Confident94 Ų94104 Ų10449%0.49250%0.503SS..Hα-helixtrans-62.2-40.3176.3-72.7171.1000112.6E201 N202 R207 Q208 L209E201-L205 WeakPolarHBondContact O-CG 3.3Å; E201-L205 PolarHBondContact O-N 2.81Å; N202-L205 PolarHBondContact O-N 3.23Å; L205-R207 VanDerWaalsContact C-N 3.32Å; L205-Q208 PolarHBondContact O-N 3.07Å; L205-L209 PolarHBondContact O-N 3.06Å
206K92.9Very high87.7Confident136 Ų136100.7 Ų100.759%0.59150%0.497SS*.Hα-helixtrans-62.3-41.3174.2-76.1178179.7-179.50111.8N202 M203 E204 L209 E210N202-K206 WeakPolarHBondContact O-CG 3.43Å; N202-K206 PolarHBondContact O-N 3.47Å; M203-K206 PolarHBondContact O-N 3.11Å; E204-K206 VanDerWaalsContact C-N 3.34Å; E204-K206 PolarHBondContact O-N 3.32Å; K206-L209 WeakPolarHBondContact O-CB 3.36Å; K206-L209 PolarHBondContact O-N 2.92Å; K206-E210 PolarHBondContact O-N 3.37Å
207R91.7Very high87.9Confident81 Ų81104.3 Ų104.331%0.30650%0.504SS..Hα-helixtrans-63.8-43.4177.3-174-175167.6-159.7-11.1111.7M203 E204 L205 L209 E210 E211 N510M203-R207 WeakPolarHBondContact O-CB 3.32Å; M203-R207 PolarHBondContact O-N 2.88Å; E204-R207 WeakPolarHBondContact O-CB 3.48Å; E204-R207 PolarHBondContact O-N 3.23Å; L205-R207 VanDerWaalsContact C-N 3.32Å; R207-L209 VanDerWaalsContact C-N 3.33Å; R207-L209 PolarHBondContact O-N 3.48Å; R207-E210 WeakPolarHBondContact O-CB 3.35Å; R207-E210 PolarHBondContact O-N 3.14Å; R207-E211 IonicContact CZ-OE1 2.87Å; R207-E211 IonicContact NE-OE1 3.22Å; R207-E211 PolarHBondContact NE-OE1 3.07Å; R207-E211 IonicContact NH2-OE1 3.22Å; R207-E211 PolarHBondContact NH2-OE1 3.31Å; R207-E211 WeakPolarHBondContact O-CG 3.42Å; R207-E211 PolarHBondContact O-N 3.44Å; R207-N510 PolarHBondContact NH1-OD1 3.25Å; R207-N510 PolarHBondContact NH2-ND2 3.31Å; R207-N510 PolarHBondContact NH2-OD1 3.39Å
208Q90.9Very high87.7Confident95 Ų95107.5 Ų107.544%0.44452%0.519SS..Hα-helixtrans-62.6-39.6176.1-71176.3-3.100112.3E204 L205 L212E204-Q208 WeakPolarHBondContact O-CG 3.36Å; E204-Q208 PolarHBondContact O-N 2.65Å; L205-Q208 PolarHBondContact O-N 3.07Å; Q208-L212 WeakPolarHBondContact O-CG 3.47Å; Q208-L212 PolarHBondContact O-N 3.28Å
209L91.4Very high87.2Confident115 Ų115114 Ų11460%0.60254%0.543SS*.Hα-helixtrans-61.1-45.3172.6-91.2153.3000111.5L205 K206 R207 L212 T213L205-L209 PolarHBondContact O-N 3.06Å; K206-L209 WeakPolarHBondContact O-CB 3.36Å; K206-L209 PolarHBondContact O-N 2.92Å; R207-L209 VanDerWaalsContact C-N 3.33Å; R207-L209 PolarHBondContact O-N 3.48Å; L209-L212 PolarHBondContact O-N 3.07Å; L209-T213 VanDerWaalsContact O-CG2 3.28Å; L209-T213 WeakPolarHBondContact O-CG2 3.47Å; L209-T213 PolarHBondContact O-N 2.91Å
210E89.1Confident86.8Confident118 Ų118117.9 Ų117.955%0.55155%0.552SS**Hα-helixtrans-62-47.8177.1-170.9168.7-153.800111.5K206 R207 L212 T213 E214K206-E210 PolarHBondContact O-N 3.37Å; R207-E210 WeakPolarHBondContact O-CB 3.35Å; R207-E210 PolarHBondContact O-N 3.14Å; E210-L212 PolarHBondContact O-N 3.03Å; E210-T213 WeakPolarHBondContact CA-OG1 3.48Å; E210-T213 CarbonylContact O-C 3.55Å; E210-T213 PolarHBondContact O-N 3.49Å; E210-T213 PolarHBondContact O-OG1 3.48Å; E210-E214 WeakPolarHBondContact O-CG 3.34Å; E210-E214 PolarHBondContact O-N 3.23Å
211E90.3Very high86.6Confident75 Ų75114 Ų11435%0.3556%0.556SS.*Hα-helixtrans-58.8-42.5177.2-73.1174.2-176.600112.1R207 T213 E214 C215R207-E211 IonicContact CZ-OE1 2.87Å; R207-E211 IonicContact NE-OE1 3.22Å; R207-E211 PolarHBondContact NE-OE1 3.07Å; R207-E211 IonicContact NH2-OE1 3.22Å; R207-E211 PolarHBondContact NH2-OE1 3.31Å; R207-E211 WeakPolarHBondContact O-CG 3.42Å; R207-E211 PolarHBondContact O-N 3.44Å; E211-T213 VanDerWaalsContact C-N 3.35Å; E211-T213 PolarHBondContact O-N 3.18Å; E211-E214 PolarHBondContact O-N 2.96Å; E211-C215 PolarHBondContact O-N 2.93Å; E211-C215 PolarHBondContact O-SG 3.34Å
212L86.6Confident86.1Confident114 Ų114115.2 Ų115.260%0.59757%0.573SS**Hα-helixtrans-64.4-37.9174.7-73.3175.9000112.5Q208 L209 E210 E214 C215 Q216Q208-L212 WeakPolarHBondContact O-CG 3.47Å; Q208-L212 PolarHBondContact O-N 3.28Å; L209-L212 PolarHBondContact O-N 3.07Å; E210-L212 PolarHBondContact O-N 3.03Å; L212-E214 VanDerWaalsContact C-N 3.32Å; L212-C215 PolarHBondContact O-N 3.42Å; L212-Q216 WeakPolarHBondContact O-CG 3.47Å; L212-Q216 PolarHBondContact O-N 3.49Å
213T82.3Confident85.8Confident71 Ų71116.8 Ų116.844%0.43659%0.587SS.*Hα-helixtrans-70-3017564.60000112.5L209 E210 E211L209-T213 VanDerWaalsContact O-CG2 3.28Å; L209-T213 WeakPolarHBondContact O-CG2 3.47Å; L209-T213 PolarHBondContact O-N 2.91Å; E210-T213 WeakPolarHBondContact CA-OG1 3.48Å; E210-T213 CarbonylContact O-C 3.55Å; E210-T213 PolarHBondContact O-N 3.49Å; E210-T213 PolarHBondContact O-OG1 3.48Å; E211-T213 VanDerWaalsContact C-N 3.35Å; E211-T213 PolarHBondContact O-N 3.18Å
214E84.4Confident85.4Confident103 Ų103115.2 Ų115.248%0.48158%0.584SS.*Hα-helixtrans-73.1-38.2174.3-72.3-176.8164.200112E210 E211 L212 Q216 K217E210-E214 WeakPolarHBondContact O-CG 3.34Å; E210-E214 PolarHBondContact O-N 3.23Å; E211-E214 PolarHBondContact O-N 2.96Å; L212-E214 VanDerWaalsContact C-N 3.32Å; E214-Q216 PolarHBondContact O-N 2.89Å; E214-K217 VanDerWaalsContact O-CB 3.32Å; E214-K217 WeakPolarHBondContact O-CB 3.46Å; E214-K217 PolarHBondContact O-N 3.19Å
215C76.8Confident85.1Confident101 Ų101114.9 Ų114.968%0.68259%0.589SS**Hα-helixtrans-64.5-26.3176.4-68.30000113.3E211 L212 K217E211-C215 PolarHBondContact O-N 2.93Å; E211-C215 PolarHBondContact O-SG 3.34Å; L212-C215 PolarHBondContact O-N 3.42Å; C215-K217 VanDerWaalsContact C-N 3.27Å
216Q77.3Confident84.4Confident154 Ų154113.9 Ų113.972%0.7259%0.594SS**THydrogen-bonded Turntrans-74.9-16173.9-69.6177.98.900113L212 E214 Q218L212-Q216 WeakPolarHBondContact O-CG 3.47Å; L212-Q216 PolarHBondContact O-N 3.49Å; E214-Q216 PolarHBondContact O-N 2.89Å; Q216-Q218 PolarHBondContact O-N 3.41Å
217K82.9Confident83.7Confident146 Ų146113.2 Ų113.264%0.63559%0.593SS**SBendtrans-79111.7177.2-63.2173.5-173.6166.20109.4E214 C215E214-K217 VanDerWaalsContact O-CB 3.32Å; E214-K217 WeakPolarHBondContact O-CB 3.46Å; E214-K217 PolarHBondContact O-N 3.19Å; C215-K217 VanDerWaalsContact C-N 3.27Å
218Q81.3Confident83.4Confident149 Ų149113.6 Ų113.670%0.69660%0.604SS**  trans-66.3135.4171-60.2-59.4-48.300109.7Q216 R220Q216-Q218 PolarHBondContact O-N 3.41Å; Q218-R220 PolarHBondContact O-N 3.02Å; Q218-R220 VanDerWaalsContact O-N 3.08Å
219F76.8Confident82.8Confident193 Ų193115.8 Ų115.885%0.84661%0.614SS**  trans-58.7115.4-179.8-179.5-100.6000110.6
220R80.9Confident82.4Confident208 Ų208114.9 Ų114.979%0.78561%0.609SS**  trans-125.2136.3169.5-62.5-62.3-178.5-155.91106.8Q218 S222Q218-R220 PolarHBondContact O-N 3.02Å; Q218-R220 VanDerWaalsContact O-N 3.08Å; R220-S222 PolarHBondContact O-N 3.41Å
221A83Confident81.9Confident86 Ų86113 Ų11371%0.71161%0.608SS**PPolyproline II helixtrans-56.2128.6172.900000108.6
222S81.8Confident81.5Confident103 Ų103112.6 Ų112.672%0.7261%0.61SS**PPolyproline II helixtrans-56.7130.2169.356.70000107.9R220R220-S222 PolarHBondContact O-N 3.41Å
223P85.6Confident81.3Confident116 Ų116114.9 Ų114.975%0.75361%0.611SS**PPolyproline II helixtrans-56149.3176.625.6-34.2000109.6
224V81.3Confident81.5Confident85 Ų85117.5 Ų117.552%0.51562%0.619SS.*PPolyproline II helixtrans-53.2129.5179.1179.60000108.4A226 V228V224-A226 PolarHBondContact O-N 2.93Å; V224-V228 HydrophobicContact CG1-CB 3.7Å; V224-V228 HydrophobicContact CG1-CG1 3.87Å; V224-V228 HydrophobicContact CG1-CG2 3.84Å
225P87.9Confident81.5Confident70 Ų70116.2 Ų116.246%0.45561%0.613SS.*PPolyproline II helixtrans-51.1134.1-179.7-31.337.2000112.2H227 V228P225-H227 WeakPolarHBondContact CB-CE1 3.39Å; P225-H227 WeakPolarHBondContact CB-ND1 3.33Å; P225-H227 PolarHBondContact O-N 3.4Å; P225-V228 HydrophobicContact CB-CG2 4.49Å; P225-V228 WeakPolarHBondContact O-CB 3.41Å; P225-V228 WeakPolarHBondContact O-CG2 3.46Å; P225-V228 PolarHBondContact O-N 2.98Å
226A77.7Confident81.9Confident72 Ų72116.2 Ų116.260%0.59560%0.604SS**G310 helixtrans-55.1-29.3-17300000114.1V224 V228 H229 L230V224-A226 PolarHBondContact O-N 2.93Å; A226-V228 PolarHBondContact O-N 3.45Å; A226-H229 PolarHBondContact O-N 3.09Å; A226-L230 PolarHBondContact O-N 3.37Å
227H78.7Confident82.2Confident122 Ų122111.7 Ų111.757%0.56558%0.583SS**G310 helixtrans-64-18.8178.272.2-91.4000114.2P225 H229P225-H227 WeakPolarHBondContact CB-CE1 3.39Å; P225-H227 WeakPolarHBondContact CB-ND1 3.33Å; P225-H227 PolarHBondContact O-N 3.4Å; H227-H229 VanDerWaalsContact C-N 3.32Å
228V83.9Confident82.6Confident90 Ų90110.3 Ų110.355%0.54558%0.579SS.*G310 helixtrans-74.9-26.3173.9-178.70000111V224 P225 A226V224-V228 HydrophobicContact CG1-CB 3.7Å; V224-V228 HydrophobicContact CG1-CG1 3.87Å; V224-V228 HydrophobicContact CG1-CG2 3.84Å; P225-V228 HydrophobicContact CB-CG2 4.49Å; P225-V228 WeakPolarHBondContact O-CB 3.41Å; P225-V228 WeakPolarHBondContact O-CG2 3.46Å; P225-V228 PolarHBondContact O-N 2.98Å; A226-V228 PolarHBondContact O-N 3.45Å
229H79.6Confident83Confident140 Ų140109.5 Ų109.565%0.64857%0.569SS**THydrogen-bonded Turntrans-89.9-9.5176.9-62.7-65.5000113.3A226 H227A226-H229 PolarHBondContact O-N 3.09Å; H227-H229 VanDerWaalsContact C-N 3.32Å
230L81.6Confident83.5Confident96 Ų96103.3 Ų103.350%0.50355%0.545SS..SBendtrans-93.3132.9-180-64.4176.7000110.8A226 V232A226-L230 PolarHBondContact O-N 3.37Å; L230-V232 HydrophobicContact CB-CG2 4.33Å; L230-V232 PolarHBondContact O-N 2.91Å
231P80.3Confident84Confident80 Ų8098.4 Ų98.452%0.51953%0.529SS..  trans-74.169.2174.128.7-31.6000111.6Y233 E234P231-Y233 PolarHBondContact O-N 3.45Å; P231-E234 PolarHBondContact O-N 3.02Å
232V81.3Confident84.5Confident65 Ų65100.3 Ų100.339%0.39452%0.524SS..Hα-helixtrans-54.8-27.4-175.9176.20000113.3L230 E234 M236L230-V232 HydrophobicContact CB-CG2 4.33Å; L230-V232 PolarHBondContact O-N 2.91Å; V232-E234 VanDerWaalsContact C-N 3.35Å; V232-E234 PolarHBondContact O-N 3.07Å; V232-M236 WeakPolarHBondContact O-CB 3.28Å; V232-M236 PolarHBondContact O-N 2.87Å
233Y83.1Confident84.9Confident162 Ų162101.3 Ų101.364%0.63552%0.517SS*.Hα-helixtrans-62.8-39.3177.9-178.1-103.2000112.7P231 M236 Q237P231-Y233 PolarHBondContact O-N 3.45Å; Y233-M236 PolarHBondContact O-N 2.89Å; Y233-Q237 HydrophobicContact CD1-CG 4.29Å; Y233-Q237 HydrophobicContact CE1-CG 3.91Å; Y233-Q237 HydrophobicContact CE2-CG 4.37Å; Y233-Q237 WeakPolarHBondContact O-CB 3.36Å; Y233-Q237 VanDerWaalsContact O-CG 3.29Å; Y233-Q237 WeakPolarHBondContact O-CG 3.48Å; Y233-Q237 PolarHBondContact O-N 3.22Å; Y233-Q237 PolarHBondContact OH-NE2 3.35Å
234E84.5Confident85.2Confident126 Ų126101.8 Ų101.859%0.58950%0.504SS*.Hα-helixtrans-68.9-45.3-179.4-67.8-178.1169.500110.8P231 V232 M236 Q237 E238P231-E234 PolarHBondContact O-N 3.02Å; V232-E234 VanDerWaalsContact C-N 3.35Å; V232-E234 PolarHBondContact O-N 3.07Å; E234-M236 VanDerWaalsContact C-N 3.3Å; E234-M236 PolarHBondContact O-N 3.48Å; E234-Q237 WeakPolarHBondContact O-CB 3.27Å; E234-Q237 PolarHBondContact O-N 2.87Å; E234-Q237 VanDerWaalsContact O-N 3.14Å; E234-E238 WeakPolarHBondContact O-CG 3.49Å; E234-E238 PolarHBondContact O-N 3.16Å
235E86.2Confident85.8Confident76 Ų76105.5 Ų105.536%0.35551%0.509SS..Hα-helixtrans-62.3-37.4175.1-61.3-173-177.600112.4Q237 E238 R239E235-Q237 VanDerWaalsContact C-N 3.34Å; E235-E238 PolarHBondContact O-N 3.04Å; E235-R239 WeakPolarHBondContact O-CB 3.32Å; E235-R239 VanDerWaalsContact O-CG 3.25Å; E235-R239 WeakPolarHBondContact O-CG 3.48Å; E235-R239 PolarHBondContact O-N 3.43Å; E235-R239 IonicContact OE2-CZ 2.78Å; E235-R239 VanDerWaalsContact OE2-CZ 3.31Å; E235-R239 IonicContact OE2-NH1 3.76Å; E235-R239 PolarHBondContact OE2-NH1 2.88Å; E235-R239 IonicContact OE2-NH2 2.96Å; E235-R239 PolarHBondContact OE2-NH2 3.36Å
236M84.3Confident86Confident101 Ų101105.7 Ų105.750%0.49851%0.511SS..Hα-helixtrans-65.4-40.4176.1-169.6-169.7-58.800111V232 Y233 E234 N240V232-M236 WeakPolarHBondContact O-CB 3.28Å; V232-M236 PolarHBondContact O-N 2.87Å; Y233-M236 PolarHBondContact O-N 2.89Å; E234-M236 VanDerWaalsContact C-N 3.3Å; E234-M236 PolarHBondContact O-N 3.48Å; M236-N240 WeakPolarHBondContact O-CB 3.46Å; M236-N240 PolarHBondContact O-N 3.27Å; M236-N240 PolarHBondContact O-ND2 3.01Å
237Q84.4Confident86.7Confident59 Ų59107.3 Ų107.328%0.27651%0.508SS..Hα-helixtrans-66.1-39.9176.1-75-72.914.100112.1Y233 E234 E235 N240 K241Y233-Q237 HydrophobicContact CD1-CG 4.29Å; Y233-Q237 HydrophobicContact CE1-CG 3.91Å; Y233-Q237 HydrophobicContact CE2-CG 4.37Å; Y233-Q237 WeakPolarHBondContact O-CB 3.36Å; Y233-Q237 VanDerWaalsContact O-CG 3.29Å; Y233-Q237 WeakPolarHBondContact O-CG 3.48Å; Y233-Q237 PolarHBondContact O-N 3.22Å; Y233-Q237 PolarHBondContact OH-NE2 3.35Å; E234-Q237 WeakPolarHBondContact O-CB 3.27Å; E234-Q237 PolarHBondContact O-N 2.87Å; E234-Q237 VanDerWaalsContact O-N 3.14Å; E235-Q237 VanDerWaalsContact C-N 3.34Å; Q237-N240 PolarHBondContact O-N 2.92Å; Q237-K241 WeakPolarHBondContact O-CB 3.44Å; Q237-K241 WeakPolarHBondContact O-CG 3.17Å; Q237-K241 PolarHBondContact O-N 3.41Å
238E90.2Very high87.4Confident117 Ų117108 Ų10855%0.54751%0.506SS..Hα-helixtrans-65.1-48.8175.3-72.1-172.5161.500111.9E234 E235 N240 K241 E242E234-E238 WeakPolarHBondContact O-CG 3.49Å; E234-E238 PolarHBondContact O-N 3.16Å; E235-E238 PolarHBondContact O-N 3.04Å; E238-N240 VanDerWaalsContact C-N 3.28Å; E238-N240 PolarHBondContact O-N 3.25Å; E238-K241 CarbonylContact O-C 3.58Å; E238-K241 WeakPolarHBondContact O-CA 3.44Å; E238-K241 WeakPolarHBondContact O-CB 3.36Å; E238-K241 PolarHBondContact O-N 3.41Å; E238-E242 WeakPolarHBondContact O-CG 3.37Å; E238-E242 PolarHBondContact O-N 3.16Å
239R89.9Confident87.8Confident132 Ų132107.2 Ų107.250%0.49850%0.498SS..Hα-helixtrans-56.6-42.2174.4-71.7173.9-173.1120.66.4111.8E235 K241 E242 Q243E235-R239 WeakPolarHBondContact O-CB 3.32Å; E235-R239 VanDerWaalsContact O-CG 3.25Å; E235-R239 WeakPolarHBondContact O-CG 3.48Å; E235-R239 PolarHBondContact O-N 3.43Å; E235-R239 IonicContact OE2-CZ 2.78Å; E235-R239 VanDerWaalsContact OE2-CZ 3.31Å; E235-R239 IonicContact OE2-NH1 3.76Å; E235-R239 PolarHBondContact OE2-NH1 2.88Å; E235-R239 IonicContact OE2-NH2 2.96Å; E235-R239 PolarHBondContact OE2-NH2 3.36Å; R239-K241 PolarHBondContact O-N 3.35Å; R239-E242 PolarHBondContact O-N 2.95Å; R239-Q243 WeakPolarHBondContact O-CB 3.36Å; R239-Q243 VanDerWaalsContact O-CG 3.3Å; R239-Q243 WeakPolarHBondContact O-CG 3.33Å; R239-Q243 PolarHBondContact O-N 3.34Å
240N86.6Confident88.4Confident64 Ų64109.4 Ų109.434%0.34250%0.501SS..Hα-helixtrans-68.4-31.6175.8-75-20.4000113.1M236 Q237 E238 R244M236-N240 WeakPolarHBondContact O-CB 3.46Å; M236-N240 PolarHBondContact O-N 3.27Å; M236-N240 PolarHBondContact O-ND2 3.01Å; Q237-N240 PolarHBondContact O-N 2.92Å; E238-N240 VanDerWaalsContact C-N 3.28Å; E238-N240 PolarHBondContact O-N 3.25Å; N240-R244 WeakPolarHBondContact O-CB 3.48Å; N240-R244 VanDerWaalsContact O-CG 3.28Å; N240-R244 WeakPolarHBondContact O-CG 3.3Å; N240-R244 PolarHBondContact O-N 2.93Å; N240-R244 PolarHBondContact O-NE 3.24Å
241K91.8Very high88.9Confident104 Ų104110.1 Ų110.145%0.45250%0.502SS..Hα-helixtrans-70.9-41.3173.2-74.2165.5-173.5171.70110.6Q237 E238 R239 R244 R245Q237-K241 WeakPolarHBondContact O-CB 3.44Å; Q237-K241 WeakPolarHBondContact O-CG 3.17Å; Q237-K241 PolarHBondContact O-N 3.41Å; E238-K241 CarbonylContact O-C 3.58Å; E238-K241 WeakPolarHBondContact O-CA 3.44Å; E238-K241 WeakPolarHBondContact O-CB 3.36Å; E238-K241 PolarHBondContact O-N 3.41Å; R239-K241 PolarHBondContact O-N 3.35Å; K241-R244 PolarHBondContact O-N 2.99Å; K241-R245 VanDerWaalsContact O-CG 3.32Å; K241-R245 WeakPolarHBondContact O-CG 3.37Å; K241-R245 PolarHBondContact O-N 2.83Å
242E93.7Very high89.4Confident127 Ų127109.4 Ų109.459%0.59350%0.496SS*.Hα-helixtrans-65.5-44.7176.7-72.8-179.5168.700112.1E238 R239 R244 R245 S246E238-E242 WeakPolarHBondContact O-CG 3.37Å; E238-E242 PolarHBondContact O-N 3.16Å; R239-E242 PolarHBondContact O-N 2.95Å; E242-R244 VanDerWaalsContact C-N 3.32Å; E242-R244 PolarHBondContact O-N 3.36Å; E242-R245 PolarHBondContact O-N 2.87Å; E242-R245 VanDerWaalsContact O-N 3.14Å; E242-S246 WeakPolarHBondContact O-CB 3.38Å; E242-S246 PolarHBondContact O-N 2.98Å
243Q89.6Confident89.8Confident124 Ų124113.8 Ų113.858%0.57951%0.505SS*.Hα-helixtrans-58.2-45.5173.5-75.3179.40.300111.4R239 R245 S246 M247R239-Q243 WeakPolarHBondContact O-CB 3.36Å; R239-Q243 VanDerWaalsContact O-CG 3.3Å; R239-Q243 WeakPolarHBondContact O-CG 3.33Å; R239-Q243 PolarHBondContact O-N 3.34Å; Q243-R245 VanDerWaalsContact C-N 3.33Å; Q243-R245 PolarHBondContact O-N 2.87Å; Q243-S246 PolarHBondContact O-N 3.19Å; Q243-M247 WeakPolarHBondContact O-CB 3.48Å; Q243-M247 VanDerWaalsContact O-CG 3.31Å; Q243-M247 WeakPolarHBondContact O-CG 3.27Å; Q243-M247 PolarHBondContact O-N 3.27Å
244R92.4Very high90.1Very high125 Ų125111.4 Ų111.447%0.47250%0.5SS..Hα-helixtrans-62.1-38.1175.4-77.2-177.6-74.5173.6-7.4112.6N240 K241 E242 R248N240-R244 WeakPolarHBondContact O-CB 3.48Å; N240-R244 VanDerWaalsContact O-CG 3.28Å; N240-R244 WeakPolarHBondContact O-CG 3.3Å; N240-R244 PolarHBondContact O-N 2.93Å; N240-R244 PolarHBondContact O-NE 3.24Å; K241-R244 PolarHBondContact O-N 2.99Å; E242-R244 VanDerWaalsContact C-N 3.32Å; E242-R244 PolarHBondContact O-N 3.36Å; R244-R248 WeakPolarHBondContact O-CG 3.46Å; R244-R248 PolarHBondContact O-N 2.93Å
245R93.6Very high90.1Very high164 Ų164110.9 Ų110.962%0.61950%0.5SS*.Hα-helixtrans-68.2-48.4175.8-74.3175.2-179.4-167.50.6111.4K241 E242 Q243 M247 R248 D249K241-R245 VanDerWaalsContact O-CG 3.32Å; K241-R245 WeakPolarHBondContact O-CG 3.37Å; K241-R245 PolarHBondContact O-N 2.83Å; E242-R245 PolarHBondContact O-N 2.87Å; E242-R245 VanDerWaalsContact O-N 3.14Å; Q243-R245 VanDerWaalsContact C-N 3.33Å; Q243-R245 PolarHBondContact O-N 2.87Å; R245-M247 VanDerWaalsContact C-N 3.33Å; R245-M247 PolarHBondContact O-N 3.36Å; R245-R248 PolarHBondContact O-N 3.4Å; R245-D249 VanDerWaalsContact O-CG 3.27Å; R245-D249 PolarHBondContact O-N 3.05Å
246S93.2Very high89.9Confident73 Ų73116.3 Ų116.351%0.5152%0.518SS..Hα-helixtrans-59.7-41.7178.9-1770000112.3E242 Q243 D249 R250E242-S246 WeakPolarHBondContact O-CB 3.38Å; E242-S246 PolarHBondContact O-N 2.98Å; Q243-S246 PolarHBondContact O-N 3.19Å; S246-D249 PolarHBondContact O-N 3.47Å; S246-R250 WeakPolarHBondContact O-CB 3.49Å; S246-R250 PolarHBondContact O-N 3.03Å
247M91.3Very high89.9Confident107 Ų107115.5 Ų115.553%0.52753%0.527SS..Hα-helixtrans-61-48.9174.2-76.1-64.9-66.100111.9Q243 R245 D249 R250 E251Q243-M247 WeakPolarHBondContact O-CB 3.48Å; Q243-M247 VanDerWaalsContact O-CG 3.31Å; Q243-M247 WeakPolarHBondContact O-CG 3.27Å; Q243-M247 PolarHBondContact O-N 3.27Å; R245-M247 VanDerWaalsContact C-N 3.33Å; R245-M247 PolarHBondContact O-N 3.36Å; M247-D249 VanDerWaalsContact C-N 3.31Å; M247-D249 PolarHBondContact O-N 3Å; M247-R250 PolarHBondContact O-N 3.45Å; M247-E251 WeakPolarHBondContact O-CB 3.41Å; M247-E251 WeakPolarHBondContact O-CG 3.35Å; M247-E251 PolarHBondContact O-N 3.06Å
248R93.1Very high89.9Confident137 Ų137118.2 Ų118.252%0.51754%0.543SS..Hα-helixtrans-60.8-40.8175.5-71179.4-148.4132.7-0.9111.9R244 R245 R250 E251 T252R244-R248 WeakPolarHBondContact O-CG 3.46Å; R244-R248 PolarHBondContact O-N 2.93Å; R245-R248 PolarHBondContact O-N 3.4Å; R248-R250 VanDerWaalsContact C-N 3.33Å; R248-R250 PolarHBondContact O-N 3.17Å; R248-E251 PolarHBondContact O-N 3.04Å; R248-T252 WeakPolarHBondContact O-CB 3.48Å; R248-T252 WeakPolarHBondContact O-CG2 3.37Å; R248-T252 PolarHBondContact O-N 3.43Å; R248-T252 PolarHBondContact O-OG1 2.92Å
249D92.7Very high89.4Confident73 Ų73117.8 Ų117.839%0.3954%0.541SS..Hα-helixtrans-67.9-36.1179.1-68.1-13.5000111.4R245 S246 M247 T252 R253R245-D249 VanDerWaalsContact O-CG 3.27Å; R245-D249 PolarHBondContact O-N 3.05Å; S246-D249 PolarHBondContact O-N 3.47Å; M247-D249 VanDerWaalsContact C-N 3.31Å; M247-D249 PolarHBondContact O-N 3Å; D249-T252 VanDerWaalsContact CA-OG1 3.28Å; D249-T252 WeakPolarHBondContact CA-OG1 3.3Å; D249-T252 PolarHBondContact O-OG1 3.41Å; D249-R253 VanDerWaalsContact CB-NH1 3.29Å; D249-R253 VanDerWaalsContact O-CB 3.27Å; D249-R253 WeakPolarHBondContact O-CB 3.41Å; D249-R253 WeakPolarHBondContact O-CG 3.4Å; D249-R253 PolarHBondContact O-N 3.21Å
250R93.3Very high88.6Confident185 Ų185120.2 Ų120.270%0.69856%0.555SS**Hα-helixtrans-67.7-45.3174.6-174.6176.1178.9157.20.6111.5S246 M247 R248 R253 H254S246-R250 WeakPolarHBondContact O-CB 3.49Å; S246-R250 PolarHBondContact O-N 3.03Å; M247-R250 PolarHBondContact O-N 3.45Å; R248-R250 VanDerWaalsContact C-N 3.33Å; R248-R250 PolarHBondContact O-N 3.17Å; R250-R253 PolarHBondContact O-N 2.85Å; R250-H254 VanDerWaalsContact O-CB 3.31Å; R250-H254 WeakPolarHBondContact O-CB 3.45Å; R250-H254 PolarHBondContact O-N 2.88Å
251E91Very high88.1Confident112 Ų112121 Ų12152%0.52356%0.564SS.*Hα-helixtrans-62.5-46176.1-75.1173.1-17400111.4M247 R248 H254 L255M247-E251 WeakPolarHBondContact O-CB 3.41Å; M247-E251 WeakPolarHBondContact O-CG 3.35Å; M247-E251 PolarHBondContact O-N 3.06Å; R248-E251 PolarHBondContact O-N 3.04Å; E251-H254 PolarHBondContact O-N 3.41Å; E251-L255 WeakPolarHBondContact O-CB 3.45Å; E251-L255 VanDerWaalsContact O-CG 3.28Å; E251-L255 WeakPolarHBondContact O-CG 3.3Å; E251-L255 PolarHBondContact O-N 2.85Å
252T91.3Very high86.8Confident65 Ų65121.9 Ų121.940%0.39957%0.568SS.*Hα-helixtrans-65.3-40.3177.454.70000112.3R248 D249 H254 L255 R256R248-T252 WeakPolarHBondContact O-CB 3.48Å; R248-T252 WeakPolarHBondContact O-CG2 3.37Å; R248-T252 PolarHBondContact O-N 3.43Å; R248-T252 PolarHBondContact O-OG1 2.92Å; D249-T252 VanDerWaalsContact CA-OG1 3.28Å; D249-T252 WeakPolarHBondContact CA-OG1 3.3Å; D249-T252 PolarHBondContact O-OG1 3.41Å; T252-H254 VanDerWaalsContact C-N 3.35Å; T252-L255 PolarHBondContact O-N 2.69Å; T252-R256 WeakPolarHBondContact O-CB 3.48Å; T252-R256 VanDerWaalsContact O-CG 3.31Å; T252-R256 WeakPolarHBondContact O-CG 3.34Å; T252-R256 PolarHBondContact O-N 3.28Å
253R90.1Very high85.9Confident157 Ų157120 Ų12059%0.59257%0.568SS**Hα-helixtrans-61.9-42.4172.2-75.3176.1-162.7112.72.9111.5D249 R250 R256 A257D249-R253 VanDerWaalsContact CB-NH1 3.29Å; D249-R253 VanDerWaalsContact O-CB 3.27Å; D249-R253 WeakPolarHBondContact O-CB 3.41Å; D249-R253 WeakPolarHBondContact O-CG 3.4Å; D249-R253 PolarHBondContact O-N 3.21Å; R250-R253 PolarHBondContact O-N 2.85Å; R253-R256 PolarHBondContact O-N 3.37Å; R253-A257 WeakPolarHBondContact O-CB 3.47Å; R253-A257 PolarHBondContact O-N 3.21Å
254H89.2Confident84.9Confident112 Ų112119.8 Ų119.852%0.51957%0.565SS.*Hα-helixtrans-63.8-46.5177.7-175.258000111.8R250 E251 T252 R256 A257 L258R250-H254 VanDerWaalsContact O-CB 3.31Å; R250-H254 WeakPolarHBondContact O-CB 3.45Å; R250-H254 PolarHBondContact O-N 2.88Å; E251-H254 PolarHBondContact O-N 3.41Å; T252-H254 VanDerWaalsContact C-N 3.35Å; H254-R256 VanDerWaalsContact C-N 3.32Å; H254-R256 PolarHBondContact O-N 2.99Å; H254-A257 PolarHBondContact O-N 2.83Å; H254-A257 VanDerWaalsContact O-N 3.17Å; H254-L258 WeakPolarHBondContact O-CG 3.39Å; H254-L258 PolarHBondContact O-N 3.37Å
255L85.3Confident84.1Confident114 Ų114116.9 Ų116.960%0.59756%0.559SS**Hα-helixtrans-60.8-40.5175.4-70.2172.9000112E251 T252 L258 Q259E251-L255 WeakPolarHBondContact O-CB 3.45Å; E251-L255 VanDerWaalsContact O-CG 3.28Å; E251-L255 WeakPolarHBondContact O-CG 3.3Å; E251-L255 PolarHBondContact O-N 2.85Å; T252-L255 PolarHBondContact O-N 2.69Å; L255-L258 PolarHBondContact O-N 3.45Å; L255-Q259 WeakPolarHBondContact O-CB 3.41Å; L255-Q259 PolarHBondContact O-N 2.82Å
256R81.8Confident83.4Confident191 Ų191114.9 Ų114.972%0.72156%0.557SS**Hα-helixtrans-66.1-35.6174.7-76.1-179.1-179.3-177.52.8112.9T252 R253 H254 Q259T252-R256 WeakPolarHBondContact O-CB 3.48Å; T252-R256 VanDerWaalsContact O-CG 3.31Å; T252-R256 WeakPolarHBondContact O-CG 3.34Å; T252-R256 PolarHBondContact O-N 3.28Å; R253-R256 PolarHBondContact O-N 3.37Å; H254-R256 VanDerWaalsContact C-N 3.32Å; H254-R256 PolarHBondContact O-N 2.99Å; R256-Q259 PolarHBondContact O-N 3.47Å
257A84.6Confident82.6Confident84 Ų84119.4 Ų119.469%0.69456%0.563SS**Hα-helixtrans-70.6-34.4175.900000112.4R253 H254R253-A257 WeakPolarHBondContact O-CB 3.47Å; R253-A257 PolarHBondContact O-N 3.21Å; H254-A257 PolarHBondContact O-N 2.83Å; H254-A257 VanDerWaalsContact O-N 3.17Å
258L83.5Confident82.3Confident115 Ų115119.3 Ų119.360%0.60256%0.561SS**Hα-helixtrans-75.3-25.8174.6-68176.3000112.7H254 L255 K260H254-L258 WeakPolarHBondContact O-CG 3.39Å; H254-L258 PolarHBondContact O-N 3.37Å; L255-L258 PolarHBondContact O-N 3.45Å; L258-K260 PolarHBondContact O-N 2.85Å
259Q78.6Confident81.8Confident109 Ų109122.1 Ų122.151%0.50957%0.572SS.*  trans-71.695.9174.5-171.5178.319.500109.9L255 R256 P261L255-Q259 WeakPolarHBondContact O-CB 3.41Å; L255-Q259 PolarHBondContact O-N 2.82Å; R256-Q259 PolarHBondContact O-N 3.47Å; Q259-P261 VanDerWaalsContact O-CD 3.23Å; Q259-P261 WeakPolarHBondContact O-CD 3.3Å
260K74.9Confident81.4Confident183 Ų183122.8 Ų122.880%0.79658%0.575SS**  trans-67.5112.2162.5-67.6-178.1-179.7-179.80107.4L258 F262L258-K260 PolarHBondContact O-N 2.85Å; K260-F262 PolarHBondContact O-N 3.28Å
261P74.9Confident81.1Confident81 Ų81121.1 Ų121.153%0.52657%0.573SS.*  trans-59.5132.5176.725.6-32.3000107.9Q259 S263 L265Q259-P261 VanDerWaalsContact O-CD 3.23Å; Q259-P261 WeakPolarHBondContact O-CD 3.3Å; P261-S263 PolarHBondContact O-N 2.95Å; P261-L265 HydrophobicContact CB-CB 4.27Å; P261-L265 HydrophobicContact CB-CD1 4.14Å
262F65.9Low80.9Confident122 Ų122122.3 Ų122.354%0.53558%0.576SS.*  trans-56.8142.31731.6-80000107.8K260 F264 L265K260-F262 PolarHBondContact O-N 3.28Å; F262-F264 PolarHBondContact O-N 3.19Å; F262-L265 HydrophobicContact CD2-CB 4.28Å; F262-L265 HydrophobicContact CD2-CD1 3.52Å; F262-L265 HydrophobicContact CD2-CG 3.49Å; F262-L265 VanDerWaalsContact CD2-CG 3.49Å; F262-L265 HydrophobicContact CE2-CD1 3.17Å; F262-L265 HydrophobicContact CE2-CD2 4.27Å; F262-L265 HydrophobicContact CE2-CG 3.44Å; F262-L265 VanDerWaalsContact CE2-CG 3.44Å; F262-L265 HydrophobicContact CG-CD1 4.41Å; F262-L265 HydrophobicContact CZ-CD1 3.83Å; F262-L265 PolarHBondContact O-N 3.22Å
263S73.3Confident80.8Confident86 Ų86124.3 Ų124.360%0.60158%0.581SS**Hα-helixtrans-54.9-15.7178.757.80000113.5P261 R267P261-S263 PolarHBondContact O-N 2.95Å; S263-R267 WeakPolarHBondContact O-CB 3.29Å; S263-R267 PolarHBondContact O-N 3Å
264F69Low80.6Confident120 Ų120121.7 Ų121.753%0.52658%0.575SS.*Hα-helixtrans-66.6-42.3169.3-172.9-96.5000113.9F262 E266 R267 E268F262-F264 PolarHBondContact O-N 3.19Å; F264-E266 VanDerWaalsContact C-N 3.35Å; F264-R267 PolarHBondContact O-N 3.06Å; F264-E268 VanDerWaalsContact O-CB 3.27Å; F264-E268 WeakPolarHBondContact O-CB 3.37Å; F264-E268 PolarHBondContact O-N 3.25Å
265L75.9Confident80.5Confident64 Ų64122.6 Ų122.634%0.33558%0.578SS.*Hα-helixtrans-67.1-37.4178-80.7171.2000111.8P261 F262 E268 R269P261-L265 HydrophobicContact CB-CB 4.27Å; P261-L265 HydrophobicContact CB-CD1 4.14Å; F262-L265 HydrophobicContact CD2-CB 4.28Å; F262-L265 HydrophobicContact CD2-CD1 3.52Å; F262-L265 HydrophobicContact CD2-CG 3.49Å; F262-L265 VanDerWaalsContact CD2-CG 3.49Å; F262-L265 HydrophobicContact CE2-CD1 3.17Å; F262-L265 HydrophobicContact CE2-CD2 4.27Å; F262-L265 HydrophobicContact CE2-CG 3.44Å; F262-L265 VanDerWaalsContact CE2-CG 3.44Å; F262-L265 HydrophobicContact CG-CD1 4.41Å; F262-L265 HydrophobicContact CZ-CD1 3.83Å; F262-L265 PolarHBondContact O-N 3.22Å; L265-E268 PolarHBondContact O-N 2.88Å; L265-R269 WeakPolarHBondContact O-CB 3.31Å; L265-R269 PolarHBondContact O-N 3.31Å
266E77.6Confident80.4Confident123 Ų123121.6 Ų121.658%0.57557%0.57SS**Hα-helixtrans-68.2-43.6174.5-169.8176.5-167.700111F264 E268 R269 L270F264-E266 VanDerWaalsContact C-N 3.35Å; E266-E268 VanDerWaalsContact C-N 3.32Å; E266-E268 PolarHBondContact O-N 2.91Å; E266-R269 PolarHBondContact O-N 3.07Å; E266-L270 WeakPolarHBondContact O-CB 3.23Å; E266-L270 PolarHBondContact O-N 3.28Å
267R77.9Confident80.4Confident167 Ų167117.3 Ų117.363%0.6356%0.558SS**Hα-helixtrans-60.2-40172.1-178.3-174.2-63.3179.9-1.3112.4S263 F264 K271S263-R267 WeakPolarHBondContact O-CB 3.29Å; S263-R267 PolarHBondContact O-N 3Å; F264-R267 PolarHBondContact O-N 3.06Å; R267-K271 VanDerWaalsContact O-CB 3.29Å; R267-K271 WeakPolarHBondContact O-CB 3.25Å; R267-K271 PolarHBondContact O-N 3.33Å
268E83.9Confident80.2Confident106 Ų106118.4 Ų118.450%0.49555%0.549SS..Hα-helixtrans-72.1-37.2179.7-164.7175.6-161.600111.4F264 L265 E266 K271 K272F264-E268 VanDerWaalsContact O-CB 3.27Å; F264-E268 WeakPolarHBondContact O-CB 3.37Å; F264-E268 PolarHBondContact O-N 3.25Å; L265-E268 PolarHBondContact O-N 2.88Å; E266-E268 VanDerWaalsContact C-N 3.32Å; E266-E268 PolarHBondContact O-N 2.91Å; E268-K271 PolarHBondContact O-N 3.41Å; E268-K272 VanDerWaalsContact O-CB 3.28Å; E268-K272 WeakPolarHBondContact O-CB 3.43Å; E268-K272 PolarHBondContact O-N 2.95Å
269R83.8Confident80Confident196 Ų196117.3 Ų117.374%0.7454%0.54SS*.Hα-helixtrans-60.4-50.4168.1-87.4-174177.1175.8-1.4111.9L265 E266 K271 K272 E273L265-R269 WeakPolarHBondContact O-CB 3.31Å; L265-R269 PolarHBondContact O-N 3.31Å; E266-R269 PolarHBondContact O-N 3.07Å; R269-K271 VanDerWaalsContact C-N 3.32Å; R269-K271 PolarHBondContact O-N 3.33Å; R269-K272 CarbonylContact O-C 3.56Å; R269-K272 WeakPolarHBondContact O-CA 3.24Å; R269-K272 WeakPolarHBondContact O-CB 3.37Å; R269-K272 PolarHBondContact O-N 3.11Å; R269-E273 PolarHBondContact O-N 3.08Å
270L84.4Confident79.9Confident87 Ų87117.4 Ų117.446%0.45554%0.541SS..Hα-helixtrans-58.6-42.4176.2-90.8159.7000111.9E266 K272 E273 Q274E266-L270 WeakPolarHBondContact O-CB 3.23Å; E266-L270 PolarHBondContact O-N 3.28Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.4Å; L270-E273 PolarHBondContact O-N 3.28Å; L270-Q274 VanDerWaalsContact O-CB 3.29Å; L270-Q274 WeakPolarHBondContact O-CB 3.38Å; L270-Q274 WeakPolarHBondContact O-CG 3.43Å; L270-Q274 PolarHBondContact O-N 3.38Å
271K86.8Confident79.7Confident150 Ų150113.6 Ų113.665%0.65253%0.526SS*.Hα-helixtrans-65.7-34.8176.1-169.8176.9-178.4-178.60111.8R267 E268 R269 K275R267-K271 VanDerWaalsContact O-CB 3.29Å; R267-K271 WeakPolarHBondContact O-CB 3.25Å; R267-K271 PolarHBondContact O-N 3.33Å; E268-K271 PolarHBondContact O-N 3.41Å; R269-K271 VanDerWaalsContact C-N 3.32Å; R269-K271 PolarHBondContact O-N 3.33Å; K271-K275 VanDerWaalsContact O-CB 3.29Å; K271-K275 WeakPolarHBondContact O-CB 3.47Å; K271-K275 PolarHBondContact O-N 2.86Å
272K87.3Confident79.4Confident137 Ų137114.3 Ų114.360%0.59652%0.522SS*.Hα-helixtrans-73-41.9176.7-164.9175.8-177.9179.90111.6E268 R269 L270 K275 Q276E268-K272 VanDerWaalsContact O-CB 3.28Å; E268-K272 WeakPolarHBondContact O-CB 3.43Å; E268-K272 PolarHBondContact O-N 2.95Å; R269-K272 CarbonylContact O-C 3.56Å; R269-K272 WeakPolarHBondContact O-CA 3.24Å; R269-K272 WeakPolarHBondContact O-CB 3.37Å; R269-K272 PolarHBondContact O-N 3.11Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.4Å; K272-K275 PolarHBondContact O-N 3.49Å; K272-Q276 WeakPolarHBondContact O-CB 3.43Å; K272-Q276 VanDerWaalsContact O-CG 3.31Å; K272-Q276 WeakPolarHBondContact O-CG 3.41Å; K272-Q276 PolarHBondContact O-N 3.1Å
273E88.5Confident79.4Confident106 Ų106114.2 Ų114.250%0.49552%0.523SS..Hα-helixtrans-62.7-45.6171.1-87.5-178.916300111.3R269 L270 K275 Q276 Q277R269-E273 PolarHBondContact O-N 3.08Å; L270-E273 PolarHBondContact O-N 3.28Å; E273-K275 VanDerWaalsContact C-N 3.28Å; E273-K275 PolarHBondContact O-N 2.88Å; E273-Q276 CarbonylContact O-C 3.55Å; E273-Q276 PolarHBondContact O-N 3.45Å; E273-Q276 VanDerWaalsContact O-N 3.11Å; E273-Q277 WeakPolarHBondContact O-CB 3.49Å; E273-Q277 WeakPolarHBondContact O-CG 3.45Å; E273-Q277 PolarHBondContact O-N 3.28Å
274Q85.9Confident78.9Confident102 Ų102116.2 Ų116.248%0.47752%0.523SS..Hα-helixtrans-60.6-38.5174.2-75.91755.200111.8L270 Q278L270-Q274 VanDerWaalsContact O-CB 3.29Å; L270-Q274 WeakPolarHBondContact O-CB 3.38Å; L270-Q274 WeakPolarHBondContact O-CG 3.43Å; L270-Q274 PolarHBondContact O-N 3.38Å; Q274-Q278 VanDerWaalsContact O-CB 3.28Å; Q274-Q278 WeakPolarHBondContact O-CB 3.42Å; Q274-Q278 VanDerWaalsContact O-CG 3.27Å; Q274-Q278 WeakPolarHBondContact O-CG 3.32Å; Q274-Q278 PolarHBondContact O-N 3.02Å
275K86.4Confident78.3Confident132 Ų132115.9 Ų115.957%0.57452%0.523SS*.Hα-helixtrans-67.9-37.3174.8-168.5177.2-179.1-177.70111.7K271 K272 E273 Q279K271-K275 VanDerWaalsContact O-CB 3.29Å; K271-K275 WeakPolarHBondContact O-CB 3.47Å; K271-K275 PolarHBondContact O-N 2.86Å; K272-K275 PolarHBondContact O-N 3.49Å; E273-K275 VanDerWaalsContact C-N 3.28Å; E273-K275 PolarHBondContact O-N 2.88Å; K275-Q279 WeakPolarHBondContact O-CB 3.49Å; K275-Q279 VanDerWaalsContact O-CG 3.26Å; K275-Q279 WeakPolarHBondContact O-CG 3.22Å; K275-Q279 PolarHBondContact O-N 3.22Å
276Q83.4Confident77.3Confident92 Ų92119.3 Ų119.343%0.4354%0.538SS..Hα-helixtrans-69.3-41.7174.6-75.5174-4.700111.7K272 E273 Q279 Q280K272-Q276 WeakPolarHBondContact O-CB 3.43Å; K272-Q276 VanDerWaalsContact O-CG 3.31Å; K272-Q276 WeakPolarHBondContact O-CG 3.41Å; K272-Q276 PolarHBondContact O-N 3.1Å; E273-Q276 CarbonylContact O-C 3.55Å; E273-Q276 PolarHBondContact O-N 3.45Å; E273-Q276 VanDerWaalsContact O-N 3.11Å; Q276-Q279 CarbonylContact O-C 3.59Å; Q276-Q279 PolarHBondContact O-N 3.5Å; Q276-Q280 WeakPolarHBondContact O-CB 3.26Å; Q276-Q280 WeakPolarHBondContact O-CG 3.39Å; Q276-Q280 PolarHBondContact O-N 3.02Å
277Q82.1Confident76.3Confident102 Ų102121.1 Ų121.148%0.47755%0.546SS..Hα-helixtrans-64.7-40.5173-72.2176.25.100111.3E273 Q279 Q280 Q281E273-Q277 WeakPolarHBondContact O-CB 3.49Å; E273-Q277 WeakPolarHBondContact O-CG 3.45Å; E273-Q277 PolarHBondContact O-N 3.28Å; Q277-Q279 VanDerWaalsContact C-N 3.34Å; Q277-Q280 PolarHBondContact O-N 3.42Å; Q277-Q281 VanDerWaalsContact O-CB 3.29Å; Q277-Q281 WeakPolarHBondContact O-CB 3.41Å; Q277-Q281 VanDerWaalsContact O-CG 3.26Å; Q277-Q281 WeakPolarHBondContact O-CG 3.39Å; Q277-Q281 PolarHBondContact O-N 2.95Å
278Q80.9Confident75.2Confident107 Ų107116.7 Ų116.750%0.555%0.545SS..Hα-helixtrans-64.8-37.3171.9-79.7177.114.300111.8Q274 Q282Q274-Q278 VanDerWaalsContact O-CB 3.28Å; Q274-Q278 WeakPolarHBondContact O-CB 3.42Å; Q274-Q278 VanDerWaalsContact O-CG 3.27Å; Q274-Q278 WeakPolarHBondContact O-CG 3.32Å; Q274-Q278 PolarHBondContact O-N 3.02Å; Q278-Q282 WeakPolarHBondContact O-CB 3.33Å; Q278-Q282 WeakPolarHBondContact O-CG 3.42Å; Q278-Q282 PolarHBondContact O-N 3.04Å
279Q78.1Confident73.5Confident91 Ų91117.5 Ų117.543%0.42555%0.553SS.*Hα-helixtrans-68.1-39.6173.9-79175.4-2.900111.9K275 Q276 Q277 Q282 Q283K275-Q279 WeakPolarHBondContact O-CB 3.49Å; K275-Q279 VanDerWaalsContact O-CG 3.26Å; K275-Q279 WeakPolarHBondContact O-CG 3.22Å; K275-Q279 PolarHBondContact O-N 3.22Å; Q276-Q279 CarbonylContact O-C 3.59Å; Q276-Q279 PolarHBondContact O-N 3.5Å; Q277-Q279 VanDerWaalsContact C-N 3.34Å; Q279-Q282 PolarHBondContact O-N 3.32Å; Q279-Q283 WeakPolarHBondContact O-CB 3.45Å; Q279-Q283 VanDerWaalsContact O-CG 3.27Å; Q279-Q283 WeakPolarHBondContact O-CG 3.26Å; Q279-Q283 PolarHBondContact O-N 3.01Å
280Q76.1Confident71.8Confident111 Ų111113 Ų11352%0.51955%0.552SS.*Hα-helixtrans-67-41.6173.9-72.8174.514.400111.5Q276 Q277 Q283 Q284Q276-Q280 WeakPolarHBondContact O-CB 3.26Å; Q276-Q280 WeakPolarHBondContact O-CG 3.39Å; Q276-Q280 PolarHBondContact O-N 3.02Å; Q277-Q280 PolarHBondContact O-N 3.42Å; Q280-Q283 PolarHBondContact O-N 2.8Å; Q280-Q284 WeakPolarHBondContact O-CG 3.37Å; Q280-Q284 PolarHBondContact O-N 2.69Å
281Q72.6Confident70.5Confident103 Ų103116 Ų11648%0.48156%0.563SS.*Hα-helixtrans-66.4-37.1173.3-75.3175.921.500111.9Q277 Q284 Q285Q277-Q281 VanDerWaalsContact O-CB 3.29Å; Q277-Q281 WeakPolarHBondContact O-CB 3.41Å; Q277-Q281 VanDerWaalsContact O-CG 3.26Å; Q277-Q281 WeakPolarHBondContact O-CG 3.39Å; Q277-Q281 PolarHBondContact O-N 2.95Å; Q281-Q284 PolarHBondContact O-N 3.4Å; Q281-Q285 WeakPolarHBondContact O-CB 3.46Å; Q281-Q285 WeakPolarHBondContact O-CG 3.47Å; Q281-Q285 PolarHBondContact O-N 3.09Å
282Q68.1Low69Low97 Ų97117.2 Ų117.245%0.45357%0.569SS.*Hα-helixtrans-68.6-35.9172.9-78.9172.326.300111.7Q278 Q279 Q285 Q286Q278-Q282 WeakPolarHBondContact O-CB 3.33Å; Q278-Q282 WeakPolarHBondContact O-CG 3.42Å; Q278-Q282 PolarHBondContact O-N 3.04Å; Q279-Q282 PolarHBondContact O-N 3.32Å; Q282-Q285 PolarHBondContact O-N 2.98Å; Q282-Q286 VanDerWaalsContact O-CB 3.27Å; Q282-Q286 WeakPolarHBondContact O-CB 3.36Å; Q282-Q286 WeakPolarHBondContact O-CG 3.29Å; Q282-Q286 PolarHBondContact O-N 3.48Å; Q282-Q286 PolarHBondContact O-NE2 3.03Å
283Q66.4Low67.3Low119 Ų119119.2 Ų119.256%0.55658%0.584SS**Hα-helixtrans-67.4-38.1172.2-75.7173.317.800111.4Q279 Q280 Q287Q279-Q283 WeakPolarHBondContact O-CB 3.45Å; Q279-Q283 VanDerWaalsContact O-CG 3.27Å; Q279-Q283 WeakPolarHBondContact O-CG 3.26Å; Q279-Q283 PolarHBondContact O-N 3.01Å; Q280-Q283 PolarHBondContact O-N 2.8Å; Q283-Q287 WeakPolarHBondContact O-CG 3.47Å; Q283-Q287 PolarHBondContact O-N 3.02Å
284Q61.2Low66Low128 Ų128122.6 Ų122.660%0.59860%0.597SS**Hα-helixtrans-68.9-38.6172.8-72173.516.600112.5Q280 Q281 Q287 A288Q280-Q284 WeakPolarHBondContact O-CG 3.37Å; Q280-Q284 PolarHBondContact O-N 2.69Å; Q281-Q284 PolarHBondContact O-N 3.4Å; Q284-Q287 PolarHBondContact O-N 2.89Å; Q284-A288 PolarHBondContact O-N 3.47Å; Q284-A288 VanDerWaalsContact O-N 3.16Å
285Q57.6Low64.8Low113 Ų113123.9 Ų123.953%0.52861%0.614SS.*Hα-helixtrans-70.5-35174.3-79.6172.4-1.300112.3Q281 Q282 Q287 A288 D289Q281-Q285 WeakPolarHBondContact O-CB 3.46Å; Q281-Q285 WeakPolarHBondContact O-CG 3.47Å; Q281-Q285 PolarHBondContact O-N 3.09Å; Q282-Q285 PolarHBondContact O-N 2.98Å; Q285-Q287 PolarHBondContact O-N 3.18Å; Q285-A288 CarbonylContact O-C 3.59Å; Q285-A288 PolarHBondContact O-N 2.98Å; Q285-D289 WeakPolarHBondContact O-CB 3.5Å; Q285-D289 PolarHBondContact O-N 2.88Å
286Q55.1Low63.9Low137 Ų137126.5 Ų126.564%0.6463%0.626SS**Hα-helixtrans-65.5-26.6172.7-77.3170.14200112.4Q282Q282-Q286 VanDerWaalsContact O-CB 3.27Å; Q282-Q286 WeakPolarHBondContact O-CB 3.36Å; Q282-Q286 WeakPolarHBondContact O-CG 3.29Å; Q282-Q286 PolarHBondContact O-N 3.48Å; Q282-Q286 PolarHBondContact O-NE2 3.03Å
287Q55.7Low62.8Low160 Ų160131.3 Ų131.375%0.74865%0.646SS**Hα-helixtrans-77.3-29.3170.2-70.5178.5-5.800112.4Q283 Q284 Q285Q283-Q287 WeakPolarHBondContact O-CG 3.47Å; Q283-Q287 PolarHBondContact O-N 3.02Å; Q284-Q287 PolarHBondContact O-N 2.89Å; Q285-Q287 PolarHBondContact O-N 3.18Å
288A54.1Low62.3Low74 Ų74130.2 Ų130.261%0.61265%0.654SS**Hα-helixtrans-87.3-27.3179.400000114.8Q284 Q285Q284-A288 PolarHBondContact O-N 3.47Å; Q284-A288 VanDerWaalsContact O-N 3.16Å; Q285-A288 CarbonylContact O-C 3.59Å; Q285-A288 PolarHBondContact O-N 2.98Å
289D49.9Very low62.1Low123 Ų123134.4 Ų134.466%0.65867%0.67SS**  trans-99.918.4-175.8-76.2-21.8000113.6Q285 E291Q285-D289 WeakPolarHBondContact O-CB 3.5Å; Q285-D289 PolarHBondContact O-N 2.88Å; D289-E291 PolarHBondContact O-N 3.34Å; D289-E291 VanDerWaalsContact O-N 3.15Å
290S47.5Very low62Low102 Ų102135.9 Ų135.971%0.71369%0.688SS**  trans-68.4-417164.20000113.4
291E57.3Low61.7Low149 Ų149134.7 Ų134.770%0.69669%0.688SS**SBendtrans-109.3109.6172.4-66.2-171178.300112D289D289-E291 PolarHBondContact O-N 3.34Å; D289-E291 VanDerWaalsContact O-N 3.15Å
292K55.6Low62Low176 Ų176133.6 Ų133.677%0.76569%0.69SS**  trans94.186161.7-52.3165-169.7172.50116.3K294K292-K294 PolarHBondContact O-N 2.78Å
293I49.9Very low62Low179 Ų179137.9 Ų137.992%0.91871%0.707SS**  trans-69.5121.5161.4-58.8168.4000109.2
294K61.2Low62.1Low178 Ų178136.1 Ų136.177%0.77471%0.708SS**  trans-109.5141.7167.6-71.1178.3-178.9175.20109.8K292K292-K294 PolarHBondContact O-N 2.78Å
295P61.8Low62.4Low128 Ų128133.8 Ų133.883%0.83170%0.702SS**  trans-67.9140.7179.326-32.3000112.6
296F67.1Low62.8Low187 Ų187136.4 Ų136.482%0.8271%0.708SS**  trans-62.2132.8-172173.3-102.5000113.9A298F296-A298 HydrophobicContact CE1-CB 4.14Å; F296-A298 HydrophobicContact CZ-CB 4.1Å
297K61.2Low63.2Low194 Ų194132.2 Ų132.284%0.84370%0.697SS**  trans-124.1125.6162.8-67.9-169.8178.1-174.40108.9
298A72Confident63.5Low79 Ų79127.8 Ų127.865%0.65369%0.688SS**PPolyproline II helixtrans-67.9134.5179.800000111F296F296-A298 HydrophobicContact CE1-CB 4.14Å; F296-A298 HydrophobicContact CZ-CB 4.1Å
299K74.9Confident63.9Low195 Ų195128.3 Ų128.385%0.84869%0.692SS**PPolyproline II helixtrans-75.8141.8173.9-66.6178.2-179.7176.60109.3
300P76.3Confident64.6Low121 Ų121125.6 Ų125.679%0.78668%0.683SS**PPolyproline II helixtrans-59.9144.7176.626.1-34000110.3
301V70.3Confident65.7Low86 Ų86122.2 Ų122.252%0.52166%0.664SS.*PPolyproline II helixtrans-59.4127.3-176.6-177.50000109.3V305V301-V305 HydrophobicContact CG1-CB 3.62Å; V301-V305 HydrophobicContact CG1-CG1 3.93Å; V301-V305 HydrophobicContact CG1-CG2 3.53Å
302P78Confident66.7Low80 Ų80119.5 Ų119.552%0.51965%0.654SS.*PPolyproline II helixtrans-56.4140.5-179.7-25.533.8000112.1S304 V305P302-S304 PolarHBondContact O-N 2.96Å; P302-V305 WeakPolarHBondContact O-CB 3.46Å; P302-V305 PolarHBondContact O-N 3.25Å
303K68.8Low67.5Low187 Ų187116.3 Ų116.381%0.81364%0.642SS**Hα-helixtrans-56-20.1178.5-65.3-179.2179.5179.70113.7V305 Y306 A307K303-V305 VanDerWaalsContact C-N 3.26Å; K303-V305 PolarHBondContact O-N 2.9Å; K303-Y306 PolarHBondContact O-N 2.89Å; K303-A307 PolarHBondContact O-N 2.76Å
304S68.2Low68.9Low82 Ų82111.7 Ų111.757%0.57362%0.622SS**Hα-helixtrans-63.8-26.6173.554.50000113.8P302 Y306 A307 A308P302-S304 PolarHBondContact O-N 2.96Å; S304-Y306 VanDerWaalsContact C-N 3.35Å; S304-A307 PolarHBondContact O-N 3.16Å; S304-A308 PolarHBondContact O-N 3.35Å; S304-A308 VanDerWaalsContact O-N 3.16Å
305V67.4Low70.1Confident80 Ų80109.8 Ų109.849%0.48561%0.614SS.*Hα-helixtrans-69.5-36.5175.5-179.40000110.7V301 P302 K303V301-V305 HydrophobicContact CG1-CB 3.62Å; V301-V305 HydrophobicContact CG1-CG1 3.93Å; V301-V305 HydrophobicContact CG1-CG2 3.53Å; P302-V305 WeakPolarHBondContact O-CB 3.46Å; P302-V305 PolarHBondContact O-N 3.25Å; K303-V305 VanDerWaalsContact C-N 3.26Å; K303-V305 PolarHBondContact O-N 2.9Å
306Y66.6Low71.2Confident168 Ų168108.3 Ų108.366%0.65960%0.596SS**Hα-helixtrans-73.4-31.3174.9-65.9-79000112.4K303 S304 A308 A309K303-Y306 PolarHBondContact O-N 2.89Å; S304-Y306 VanDerWaalsContact C-N 3.35Å; Y306-A308 VanDerWaalsContact C-N 3.34Å; Y306-A309 PolarHBondContact O-N 3.27Å
307A63.6Low72.1Confident49 Ų49103.6 Ų103.641%0.40558%0.579SS.*Hα-helixtrans-72.5-23.1174.900000114K303 S304 S310K303-A307 PolarHBondContact O-N 2.76Å; S304-A307 PolarHBondContact O-N 3.16Å; A307-S310 PolarHBondContact O-OG 3.29Å
308A62.5Low73.5Confident67 Ų67100.3 Ų100.355%0.55457%0.567SS**Hα-helixtrans-77.7-24.1172.900000112.5S304 Y306S304-A308 PolarHBondContact O-N 3.35Å; S304-A308 VanDerWaalsContact O-N 3.16Å; Y306-A308 VanDerWaalsContact C-N 3.34Å
309A62.3Low74.5Confident84 Ų84101.6 Ų101.669%0.69456%0.562SS**Hα-helixtrans-83-16.4-178.800000113.7Y306 G311Y306-A309 PolarHBondContact O-N 3.27Å; A309-G311 PolarHBondContact O-N 3.32Å
310S64.1Low75.2Confident66 Ų6699.2 Ų99.246%0.46255%0.549SS..THydrogen-bonded Turntrans-74.3-0.7-174.928.90000114.9A307 D312A307-S310 PolarHBondContact O-OG 3.29Å; S310-D312 PolarHBondContact O-N 3.39Å
311G70.4Confident75.9Confident31 Ų31103 Ų10332%0.3255%0.547SS..SBendtrans66.6-19.7174.700000115.7A309 Q313 V314 K315A309-G311 PolarHBondContact O-N 3.32Å; G311-Q313 PolarHBondContact O-N 2.89Å; G311-V314 WeakPolarHBondContact O-CB 3.42Å; G311-V314 PolarHBondContact O-N 3.49Å; G311-V314 VanDerWaalsContact O-N 3.13Å; G311-K315 PolarHBondContact O-N 2.81Å
312D78.3Confident77Confident93 Ų93101.9 Ų101.950%0.49754%0.543SS..Hα-helixtrans-68.5-35-178.2-67.2-25.6000112.2S310 V314 K315 E316S310-D312 PolarHBondContact O-N 3.39Å; D312-V314 PolarHBondContact O-N 3.18Å; D312-K315 PolarHBondContact O-N 3.48Å; D312-K315 IonicContact OD1-NZ 3.74Å; D312-E316 WeakPolarHBondContact O-CB 3.26Å; D312-E316 PolarHBondContact O-N 3.04Å
313Q73.6Confident77.8Confident108 Ų108102.1 Ų102.151%0.50554%0.54SS..Hα-helixtrans-60.8-33171.3-92.1-147.8-8.800112.8G311 N317G311-Q313 PolarHBondContact O-N 2.89Å; Q313-N317 VanDerWaalsContact O-CB 3.23Å; Q313-N317 WeakPolarHBondContact O-CB 3.25Å; Q313-N317 PolarHBondContact O-N 3.16Å; Q313-N317 PolarHBondContact O-ND2 3.1Å
314V79.3Confident79Confident82 Ų82100.1 Ų100.150%0.49753%0.531SS..Hα-helixtrans-69.7-44.6179.4-1790000109.5G311 D312 N317 E318G311-V314 WeakPolarHBondContact O-CB 3.42Å; G311-V314 PolarHBondContact O-N 3.49Å; G311-V314 VanDerWaalsContact O-N 3.13Å; D312-V314 PolarHBondContact O-N 3.18Å; V314-N317 PolarHBondContact O-N 3.42Å; V314-E318 WeakPolarHBondContact O-CG 3.38Å; V314-E318 PolarHBondContact O-N 2.89Å
315K85.8Confident80.1Confident138 Ų138103.4 Ų103.460%0.654%0.535SS*.Hα-helixtrans-63-42.5176.1-62.6174.8-172.6161.50112G311 D312 E318 L319G311-K315 PolarHBondContact O-N 2.81Å; D312-K315 PolarHBondContact O-N 3.48Å; D312-K315 IonicContact OD1-NZ 3.74Å; K315-E318 PolarHBondContact O-N 3.07Å; K315-L319 PolarHBondContact O-N 3.43Å
316E85.6Confident81.3Confident97 Ų97107.1 Ų107.145%0.45354%0.541SS..Hα-helixtrans-63.9-43.1176.9-173-178.9-176.100111.3D312 E318 L319 Y320D312-E316 WeakPolarHBondContact O-CB 3.26Å; D312-E316 PolarHBondContact O-N 3.04Å; E316-E318 PolarHBondContact O-N 3.17Å; E316-L319 WeakPolarHBondContact O-CB 3.42Å; E316-L319 PolarHBondContact O-N 3.07Å; E316-Y320 HydrophobicContact CG-CD2 3.82Å; E316-Y320 HydrophobicContact CG-CE2 3.57Å; E316-Y320 WeakPolarHBondContact O-CD2 3.37Å; E316-Y320 PolarHBondContact O-N 3.42Å; E316-Y320 WeakPolarHBondContact OE1-CE2 3.46Å
317N85.3Confident82.6Confident89 Ų89103.2 Ų103.248%0.47653%0.53SS..Hα-helixtrans-65.8-35.5176.6-78.3-43.4000113Q313 V314 R321Q313-N317 VanDerWaalsContact O-CB 3.23Å; Q313-N317 WeakPolarHBondContact O-CB 3.25Å; Q313-N317 PolarHBondContact O-N 3.16Å; Q313-N317 PolarHBondContact O-ND2 3.1Å; V314-N317 PolarHBondContact O-N 3.42Å; N317-R321 WeakPolarHBondContact O-CB 3.33Å; N317-R321 WeakPolarHBondContact O-CG 3.36Å; N317-R321 PolarHBondContact O-N 3.42Å
318E90.3Very high83.9Confident124 Ų124109 Ų10958%0.57954%0.542SS*.Hα-helixtrans-66.4-40.9173.4-75.3177179.600111.8V314 K315 E316 R321 S322V314-E318 WeakPolarHBondContact O-CG 3.38Å; V314-E318 PolarHBondContact O-N 2.89Å; K315-E318 PolarHBondContact O-N 3.07Å; E316-E318 PolarHBondContact O-N 3.17Å; E318-R321 WeakPolarHBondContact O-CB 3.3Å; E318-R321 PolarHBondContact O-N 3.5Å; E318-S322 PolarHBondContact O-N 3.28Å
319L92.3Very high85.2Confident106 Ų106109.4 Ų109.456%0.55554%0.537SS*.Hα-helixtrans-63.7-44.8173.5-172.168.8000111.4K315 E316 R321 S322 I323K315-L319 PolarHBondContact O-N 3.43Å; E316-L319 WeakPolarHBondContact O-CB 3.42Å; E316-L319 PolarHBondContact O-N 3.07Å; L319-R321 VanDerWaalsContact C-N 3.3Å; L319-R321 PolarHBondContact O-N 2.86Å; L319-S322 PolarHBondContact O-N 2.98Å; L319-S322 PolarHBondContact O-OG 3.32Å; L319-I323 HydrophobicContact CD1-CD1 4.49Å; L319-I323 HydrophobicContact CG-CD1 4.01Å; L319-I323 VanDerWaalsContact O-CG1 3.29Å; L319-I323 WeakPolarHBondContact O-CG1 3.43Å; L319-I323 PolarHBondContact O-N 3.45Å
320Y90.8Very high86.5Confident146 Ų146108.2 Ų108.257%0.57352%0.517SS*.Hα-helixtrans-61.9-38174.4-83.7-62.4000112.3E316 K324E316-Y320 HydrophobicContact CG-CD2 3.82Å; E316-Y320 HydrophobicContact CG-CE2 3.57Å; E316-Y320 WeakPolarHBondContact O-CD2 3.37Å; E316-Y320 PolarHBondContact O-N 3.42Å; E316-Y320 WeakPolarHBondContact OE1-CE2 3.46Å; Y320-K324 VanDerWaalsContact O-CB 3.23Å; Y320-K324 WeakPolarHBondContact O-CB 3.47Å; Y320-K324 PolarHBondContact O-N 3.18Å
321R90.6Very high87.6Confident199 Ų199109.6 Ų109.675%0.75152%0.519SS*.Hα-helixtrans-64.4-41.7174.4-85.2177.6161.7-114.50.6112.1N317 E318 L319 K324 K325N317-R321 WeakPolarHBondContact O-CB 3.33Å; N317-R321 WeakPolarHBondContact O-CG 3.36Å; N317-R321 PolarHBondContact O-N 3.42Å; E318-R321 WeakPolarHBondContact O-CB 3.3Å; E318-R321 PolarHBondContact O-N 3.5Å; L319-R321 VanDerWaalsContact C-N 3.3Å; L319-R321 PolarHBondContact O-N 2.86Å; R321-K324 PolarHBondContact O-N 3.29Å; R321-K325 WeakPolarHBondContact O-CB 3.36Å; R321-K325 PolarHBondContact O-N 3.21Å
322S93.1Very high88.3Confident63 Ų63113.5 Ų113.544%0.44153%0.532SS..Hα-helixtrans-68.2-44.3-179.872.30000111.4E318 L319 K324 K325 Y326E318-S322 PolarHBondContact O-N 3.28Å; L319-S322 PolarHBondContact O-N 2.98Å; L319-S322 PolarHBondContact O-OG 3.32Å; S322-K324 PolarHBondContact O-N 3.27Å; S322-K325 WeakPolarHBondContact O-CB 3.41Å; S322-K325 PolarHBondContact O-N 3.42Å; S322-Y326 PolarHBondContact O-N 3.45Å
323I94.6Very high88.4Confident86 Ų86115 Ų11544%0.44154%0.54SS..Hα-helixtrans-59.9-45.9175-67167.6000110.5L319 K325 Y326 M327L319-I323 HydrophobicContact CD1-CD1 4.49Å; L319-I323 HydrophobicContact CG-CD1 4.01Å; L319-I323 VanDerWaalsContact O-CG1 3.29Å; L319-I323 WeakPolarHBondContact O-CG1 3.43Å; L319-I323 PolarHBondContact O-N 3.45Å; I323-K325 VanDerWaalsContact C-N 3.3Å; I323-K325 PolarHBondContact O-N 3.45Å; I323-Y326 PolarHBondContact O-N 3.14Å; I323-M327 HydrophobicContact CG2-CG 4.33Å; I323-M327 WeakPolarHBondContact O-CB 3.46Å; I323-M327 VanDerWaalsContact O-CG 3.29Å; I323-M327 WeakPolarHBondContact O-CG 3.43Å; I323-M327 PolarHBondContact O-N 2.98Å
324K93.6Very high88.7Confident144 Ų144118.8 Ų118.863%0.62655%0.549SS*.Hα-helixtrans-66.3-33.5179.9-162.4168.9-168.6168.20112.5Y320 R321 S322 R328Y320-K324 VanDerWaalsContact O-CB 3.23Å; Y320-K324 WeakPolarHBondContact O-CB 3.47Å; Y320-K324 PolarHBondContact O-N 3.18Å; R321-K324 PolarHBondContact O-N 3.29Å; S322-K324 PolarHBondContact O-N 3.27Å; K324-R328 WeakPolarHBondContact O-CB 3.2Å; K324-R328 PolarHBondContact O-N 3.47Å
325K91.4Very high88.6Confident151 Ų151119.2 Ų119.266%0.65756%0.556SS**Hα-helixtrans-67.5-44.3173.1-169.2179.9-178.8-175.40110.8R321 S322 I323 R328 V329R321-K325 WeakPolarHBondContact O-CB 3.36Å; R321-K325 PolarHBondContact O-N 3.21Å; S322-K325 WeakPolarHBondContact O-CB 3.41Å; S322-K325 PolarHBondContact O-N 3.42Å; I323-K325 VanDerWaalsContact C-N 3.3Å; I323-K325 PolarHBondContact O-N 3.45Å; K325-R328 PolarHBondContact O-N 2.93Å; K325-V329 WeakPolarHBondContact O-CG2 3.47Å; K325-V329 PolarHBondContact O-N 3.45Å
326Y93.7Very high88Confident159 Ų159116.1 Ų116.162%0.62455%0.552SS**Hα-helixtrans-61-49.1176.5-179.9-95000111.8S322 I323 R328 V329 Q330S322-Y326 PolarHBondContact O-N 3.45Å; I323-Y326 PolarHBondContact O-N 3.14Å; Y326-R328 VanDerWaalsContact C-N 3.33Å; Y326-R328 PolarHBondContact O-N 3.1Å; Y326-V329 PolarHBondContact O-N 3.44Å; Y326-V329 VanDerWaalsContact O-N 3.15Å; Y326-Q330 PolarHBondContact O-N 2.91Å
327M92.8Very high87.3Confident86 Ų86115.8 Ų115.842%0.42456%0.56SS.*Hα-helixtrans-57.5-44.5176.3-70.6-105.76300111.9I323 V329 Q330 D331I323-M327 HydrophobicContact CG2-CG 4.33Å; I323-M327 WeakPolarHBondContact O-CB 3.46Å; I323-M327 VanDerWaalsContact O-CG 3.29Å; I323-M327 WeakPolarHBondContact O-CG 3.43Å; I323-M327 PolarHBondContact O-N 2.98Å; M327-V329 PolarHBondContact O-N 3.42Å; M327-Q330 PolarHBondContact O-N 3.4Å; M327-D331 WeakPolarHBondContact O-CB 3.38Å; M327-D331 PolarHBondContact O-N 2.93Å
328R91.3Very high86.7Confident171 Ų171114.9 Ų114.965%0.64555%0.553SS**Hα-helixtrans-61.9-41.6176.8-176.8-175.3-63.9170.2-1.6112.6K324 K325 Y326 L332K324-R328 WeakPolarHBondContact O-CB 3.2Å; K324-R328 PolarHBondContact O-N 3.47Å; K325-R328 PolarHBondContact O-N 2.93Å; Y326-R328 VanDerWaalsContact C-N 3.33Å; Y326-R328 PolarHBondContact O-N 3.1Å; R328-L332 VanDerWaalsContact O-CB 3.25Å; R328-L332 WeakPolarHBondContact O-CB 3.33Å; R328-L332 PolarHBondContact O-N 3.41Å
329V90.6Very high85.8Confident75 Ų75112.3 Ų112.346%0.45555%0.547SS..Hα-helixtrans-66.4-42.2177.9169.90000110.3K325 Y326 M327 L332 L333K325-V329 WeakPolarHBondContact O-CG2 3.47Å; K325-V329 PolarHBondContact O-N 3.45Å; Y326-V329 PolarHBondContact O-N 3.44Å; Y326-V329 VanDerWaalsContact O-N 3.15Å; M327-V329 PolarHBondContact O-N 3.42Å; V329-L332 PolarHBondContact O-N 2.79Å; V329-L333 HydrophobicContact CG1-CD1 4Å; V329-L333 HydrophobicContact CG1-CG 4.5Å; V329-L333 WeakPolarHBondContact O-CB 3.44Å; V329-L333 WeakPolarHBondContact O-CG 3.36Å; V329-L333 PolarHBondContact O-N 3.01Å
330Q89.2Confident84.7Confident59 Ų59112.3 Ų112.328%0.27655%0.553SS.*Hα-helixtrans-64.1-44.1178-168.6177.916.400112Y326 M327 L333 R334Y326-Q330 PolarHBondContact O-N 2.91Å; M327-Q330 PolarHBondContact O-N 3.4Å; Q330-L333 PolarHBondContact O-N 2.84Å; Q330-R334 WeakPolarHBondContact O-CB 3.45Å; Q330-R334 WeakPolarHBondContact O-CG 3.3Å; Q330-R334 PolarHBondContact O-N 3.36Å
331D87.6Confident83.6Confident95 Ų95109.3 Ų109.351%0.50855%0.554SS.*Hα-helixtrans-64.7-39.9175.1-75.6-14.7000111.6M327 R334 S335M327-D331 WeakPolarHBondContact O-CB 3.38Å; M327-D331 PolarHBondContact O-N 2.93Å; D331-R334 PolarHBondContact O-N 3.36Å; D331-S335 VanDerWaalsContact O-CB 3.23Å; D331-S335 WeakPolarHBondContact O-CB 3.49Å; D331-S335 PolarHBondContact O-N 3Å; D331-S335 PolarHBondContact O-OG 2.81Å
332L84.2Confident82.6Confident112 Ų112102.5 Ų102.559%0.58653%0.531SS*.Hα-helixtrans-63.6-43.8176.2-171.263.2000111R328 V329 S335 S336R328-L332 VanDerWaalsContact O-CB 3.25Å; R328-L332 WeakPolarHBondContact O-CB 3.33Å; R328-L332 PolarHBondContact O-N 3.41Å; V329-L332 PolarHBondContact O-N 2.79Å; L332-S335 WeakPolarHBondContact CA-OG 3.48Å; L332-S335 PolarHBondContact O-N 2.88Å; L332-S335 PolarHBondContact O-OG 3.48Å; L332-S336 WeakPolarHBondContact O-CB 3.45Å; L332-S336 PolarHBondContact O-N 2.98Å; L332-S336 PolarHBondContact O-OG 2.97Å
333L81.8Confident81.5Confident126 Ų126103.7 Ų103.766%0.6653%0.532SS*.Hα-helixtrans-64.8-39176.2-75.1168.9000112.7V329 Q330 S336V329-L333 HydrophobicContact CG1-CD1 4Å; V329-L333 HydrophobicContact CG1-CG 4.5Å; V329-L333 WeakPolarHBondContact O-CB 3.44Å; V329-L333 WeakPolarHBondContact O-CG 3.36Å; V329-L333 PolarHBondContact O-N 3.01Å; Q330-L333 PolarHBondContact O-N 2.84Å; L333-S336 PolarHBondContact O-OG 3.02Å
334R78.3Confident80Confident186 Ų186103.5 Ų103.570%0.70254%0.535SS*.Hα-helixtrans-69.9-37.6176.1-74.4-177.2-180-103.33.9112.3Q330 D331Q330-R334 WeakPolarHBondContact O-CB 3.45Å; Q330-R334 WeakPolarHBondContact O-CG 3.3Å; Q330-R334 PolarHBondContact O-N 3.36Å; D331-R334 PolarHBondContact O-N 3.36Å
335S78.4Confident78.6Confident92 Ų92102.4 Ų102.464%0.64353%0.527SS*.Hα-helixtrans-83.5-23.1-179.258.80000113.6D331 L332 S337D331-S335 VanDerWaalsContact O-CB 3.23Å; D331-S335 WeakPolarHBondContact O-CB 3.49Å; D331-S335 PolarHBondContact O-N 3Å; D331-S335 PolarHBondContact O-OG 2.81Å; L332-S335 WeakPolarHBondContact CA-OG 3.48Å; L332-S335 PolarHBondContact O-N 2.88Å; L332-S335 PolarHBondContact O-OG 3.48Å; S335-S337 PolarHBondContact O-N 3.12Å
336S72.6Confident77.3Confident73 Ų73102 Ų10251%0.5152%0.521SS..THydrogen-bonded Turntrans-84.625.4176.572.70000113.7L332 L333 E338L332-S336 WeakPolarHBondContact O-CB 3.45Å; L332-S336 PolarHBondContact O-N 2.98Å; L332-S336 PolarHBondContact O-OG 2.97Å; L333-S336 PolarHBondContact O-OG 3.02Å; S336-E338 PolarHBondContact O-N 3.14Å
337S71.9Confident75.8Confident89 Ų8999.8 Ų99.862%0.62252%0.519SS*.PPolyproline II helixtrans-61.1127.1170.8177.20000109.3S335S335-S337 PolarHBondContact O-N 3.12Å
338E71Confident74.2Confident70 Ų70100.6 Ų100.633%0.32753%0.525SS..PPolyproline II helixtrans-57.7144.1173.9-67.5-169.5168.800109.9S336 M342S336-E338 PolarHBondContact O-N 3.14Å; E338-M342 HydrophobicContact CB-CB 4.1Å; E338-M342 HydrophobicContact CG-CE 4.17Å
339P71.4Confident72.5Confident70 Ų7097 Ų9746%0.45552%0.519SS..PPolyproline II helixtrans-56.3146.3174.4-21.730.2000110.8S341 M342 L343P339-S341 PolarHBondContact O-N 3.47Å; P339-M342 WeakPolarHBondContact O-CB 3.45Å; P339-M342 PolarHBondContact O-N 3.13Å; P339-L343 PolarHBondContact O-N 2.99Å
340P69.5Low70.9Confident107 Ų107103.8 Ų103.870%0.69554%0.536SS*.Hα-helixtrans-51.7-29.1-179.3-28.934.9000114.5T344P340-T344 WeakPolarHBondContact O-CG2 3.47Å; P340-T344 PolarHBondContact O-N 3.49Å; P340-T344 PolarHBondContact O-OG1 2.98Å
341S68.9Low69.4Low83 Ų83109.5 Ų109.558%0.5856%0.56SS**Hα-helixtrans-71.5-25.8176.366.90000114.6P339 T344 R345P339-S341 PolarHBondContact O-N 3.47Å; S341-T344 PolarHBondContact O-OG1 3.18Å; S341-R345 PolarHBondContact O-N 3.15Å
342M68.2Low67.9Low56 Ų56113 Ų11328%0.27657%0.571SS.*Hα-helixtrans-80.8-36.7174.8-75.6-166.241.300111.7E338 P339 R345 R346E338-M342 HydrophobicContact CB-CB 4.1Å; E338-M342 HydrophobicContact CG-CE 4.17Å; P339-M342 WeakPolarHBondContact O-CB 3.45Å; P339-M342 PolarHBondContact O-N 3.13Å; M342-R345 PolarHBondContact O-N 3.09Å; M342-R346 WeakPolarHBondContact O-CG 3.44Å; M342-R346 PolarHBondContact O-N 3.37Å
343L69.8Low66.3Low88 Ų88113.8 Ų113.846%0.46158%0.583SS.*Hα-helixtrans-60.5-43.8172.5-86.7154.3000111.8P339 R346 L347P339-L343 PolarHBondContact O-N 2.99Å; L343-R346 PolarHBondContact O-N 2.91Å; L343-L347 WeakPolarHBondContact O-CG 3.35Å; L343-L347 PolarHBondContact O-N 3.46Å; L343-L347 VanDerWaalsContact O-N 3.14Å
344T63.7Low64.5Low81 Ų81117.3 Ų117.350%0.49759%0.593SS.*Hα-helixtrans-67.7-34.8176.755.20000112.5P340 S341 L347 N348P340-T344 WeakPolarHBondContact O-CG2 3.47Å; P340-T344 PolarHBondContact O-N 3.49Å; P340-T344 PolarHBondContact O-OG1 2.98Å; S341-T344 PolarHBondContact O-OG1 3.18Å; T344-L347 PolarHBondContact O-N 3.35Å; T344-N348 PolarHBondContact O-N 3.49Å; T344-N348 PolarHBondContact O-ND2 3.3Å
345R65.2Low62.7Low121 Ų121117.5 Ų117.546%0.45760%0.601SS.*Hα-helixtrans-64.6-43.8173.8-164.118072.2-117.82.2111.9S341 M342 L347 N348 D349S341-R345 PolarHBondContact O-N 3.15Å; M342-R345 PolarHBondContact O-N 3.09Å; R345-L347 VanDerWaalsContact C-N 3.33Å; R345-L347 PolarHBondContact O-N 2.83Å; R345-N348 WeakPolarHBondContact O-CB 3.44Å; R345-N348 PolarHBondContact O-N 2.99Å; R345-N348 VanDerWaalsContact O-N 3.12Å; R345-D349 PolarHBondContact O-N 3.29Å
346R62.9Low61.2Low144 Ų144120.8 Ų120.854%0.54361%0.606SS.*Hα-helixtrans-62.2-36.1176.3-73.8-77.9-167.7-177.60.5113.2M342 L343 N348 D349 R350M342-R346 WeakPolarHBondContact O-CG 3.44Å; M342-R346 PolarHBondContact O-N 3.37Å; L343-R346 PolarHBondContact O-N 2.91Å; R346-N348 VanDerWaalsContact C-N 3.31Å; R346-D349 PolarHBondContact O-N 2.97Å; R346-R350 PolarHBondContact O-N 3.44Å; R346-R350 VanDerWaalsContact O-N 3.13Å
347L62.6Low59.9Low111 Ų111123 Ų12358%0.58162%0.619SS**Hα-helixtrans-68.9-30.5175.2-68.9174.2000112.3L343 T344 R345L343-L347 WeakPolarHBondContact O-CG 3.35Å; L343-L347 PolarHBondContact O-N 3.46Å; L343-L347 VanDerWaalsContact O-N 3.14Å; T344-L347 PolarHBondContact O-N 3.35Å; R345-L347 VanDerWaalsContact C-N 3.33Å; R345-L347 PolarHBondContact O-N 2.83Å
348N58.9Low58.5Low104 Ų104122.1 Ų122.156%0.55662%0.624SS**Hα-helixtrans-75.9-35.9173.2-69.5-32.9000112.4T344 R345 R346 R350 K351T344-N348 PolarHBondContact O-N 3.49Å; T344-N348 PolarHBondContact O-ND2 3.3Å; R345-N348 WeakPolarHBondContact O-CB 3.44Å; R345-N348 PolarHBondContact O-N 2.99Å; R345-N348 VanDerWaalsContact O-N 3.12Å; R346-N348 VanDerWaalsContact C-N 3.31Å; N348-R350 VanDerWaalsContact C-N 3.33Å; N348-R350 PolarHBondContact O-N 3.38Å; N348-K351 PolarHBondContact O-N 3.13Å
349D56.9Low57.6Low94 Ų94127.7 Ų127.750%0.50365%0.65SS.*Hα-helixtrans-67.9-32176.5-69-28.3000112.3R345 R346 K351 K352R345-D349 PolarHBondContact O-N 3.29Å; R346-D349 PolarHBondContact O-N 2.97Å; D349-K351 PolarHBondContact O-N 2.87Å; D349-K352 PolarHBondContact O-N 3.36Å
350R55.9Low56.8Low219 Ų219127.6 Ų127.683%0.82666%0.661SS**THydrogen-bonded Turntrans-67.5-9.3174.2-84.9-175.9164.6-173.1-3.4114.5R346 N348R346-R350 PolarHBondContact O-N 3.44Å; R346-R350 VanDerWaalsContact O-N 3.13Å; N348-R350 VanDerWaalsContact C-N 3.33Å; N348-R350 PolarHBondContact O-N 3.38Å
351K57.2Low56Low178 Ų178132.1 Ų132.177%0.77467%0.671SS**THydrogen-bonded Turntrans-88.82.3174.2-68.6-169.5177.3-177.30113.8N348 D349N348-K351 PolarHBondContact O-N 3.13Å; D349-K351 PolarHBondContact O-N 2.87Å
352K56.7Low55.6Low168 Ų168134.9 Ų134.973%0.7368%0.684SS**SBendtrans-104.8135171.9-63.2-131.9177-175.90110.1D349 K354D349-K352 PolarHBondContact O-N 3.36Å; K352-K354 PolarHBondContact O-N 3.34Å
353P50.9Low55.3Low130 Ų130139.5 Ų139.584%0.84471%0.705SS**PPolyproline II helixtrans-63.4133.2-175.826.1-32.4000110.1
354K43.5Very low55.2Low200 Ų200144.2 Ų144.287%0.8772%0.722SS**PPolyproline II helixtrans-58.5133.5-179.7-70.6176.9175.2178.90110.8K352K352-K354 PolarHBondContact O-N 3.34Å
355H39.6Very low55.4Low189 Ų189144.4 Ų144.488%0.87572%0.724SS**PPolyproline II helixtrans-97.8129.1155.3-132.4-84.1000107.2
356E48.2Very low55.6Low161 Ų161147.6 Ų147.675%0.75274%0.744SS**PPolyproline II helixtrans-53.4143.7-178.3-73.2-70143.300112.6G358E356-G358 PolarHBondContact O-N 2.77Å
357P46.1Very low55.7Low120 Ų120147.4 Ų147.478%0.77975%0.753SS**  trans-77.4107179.631.2-29.2000110.1
358G41.7Very low56.1Low70 Ų70148.2 Ų148.272%0.72276%0.758SS**  trans-64.5152163.100000111.9E356E356-G358 PolarHBondContact O-N 2.77Å
359E52.1Low56.4Low188 Ų188155 Ų15588%0.87978%0.775SS**  trans-40.4149.7-171.9-70.7167.9127.100117.1F361E359-F361 PolarHBondContact O-N 3.31Å
360G53.6Low57.3Low67 Ų67158.5 Ų158.569%0.69179%0.789SS**  trans-52.3125.2-177.100000113.7T362G360-T362 PolarHBondContact O-N 3.11Å
361F53.1Low58.2Low202 Ų202153.7 Ų153.789%0.88678%0.783SS**  trans-53.2112.9168.1-66.6-84.4000110.1E359 H363E359-F361 PolarHBondContact O-N 3.31Å; F361-H363 PolarHBondContact O-N 2.88Å
362T60.8Low59.3Low142 Ų142148.7 Ų148.787%0.87177%0.769SS**  trans-753.5178.545.40000113.8G360 K364G360-T362 PolarHBondContact O-N 3.11Å; T362-K364 PolarHBondContact O-N 3.31Å
363H61.8Low60.5Low153 Ų153145.4 Ų145.471%0.70876%0.76SS**  trans-87.396.7-174.9-171.3-93.4000112F361 P365F361-H363 PolarHBondContact O-N 2.88Å; H363-P365 WeakPolarHBondContact O-CD 3.28Å
364K68.8Low62.2Low187 Ų187145.7 Ų145.781%0.81375%0.748SS**  trans-94107.9165.1-66-179.1-177.3175.50108.4T362 Q366T362-K364 PolarHBondContact O-N 3.31Å; K364-Q366 PolarHBondContact O-N 3.42Å
365P67.7Low64.2Low85 Ų85141.7 Ų141.755%0.55274%0.736SS**  trans-62.9124.3174.326.3-31.9000108.7H363 I367H363-P365 WeakPolarHBondContact O-CD 3.28Å; P365-I367 VanDerWaalsContact C-N 3.31Å; P365-I367 PolarHBondContact O-N 3.14Å
366Q67.8Low66.6Low188 Ų188134.4 Ų134.488%0.87971%0.709SS**  trans-68.694.7167.9-89.4179.3-29.500108K364 N368K364-Q366 PolarHBondContact O-N 3.42Å; Q366-N368 PolarHBondContact O-N 2.93Å
367I66.8Low68.5Low139 Ų139129.7 Ų129.771%0.71369%0.693SS**  trans-74.8110.4171.3-59.4170.1000106.3P365 R369P365-I367 VanDerWaalsContact C-N 3.31Å; P365-I367 PolarHBondContact O-N 3.14Å; I367-R369 PolarHBondContact O-N 3.17Å
368N69.3Low70.5Confident129 Ų129130.4 Ų130.469%0.6968%0.681SS**  trans-55.2109.6173.6-69.1-29000108.6Q366 E370Q366-N368 PolarHBondContact O-N 2.93Å; N368-E370 VanDerWaalsContact C-N 3.29Å
369R66.6Low72.9Confident245 Ų245135.5 Ų135.593%0.92568%0.679SS**SBendtrans-74.2-24-175.6-70.7-171.4169.7-173.1-3112.8I367I367-R369 PolarHBondContact O-N 3.17Å
370E75.7Confident74.8Confident169 Ų169135.7 Ų135.779%0.7967%0.672SS**SBendtrans-108.8134.3179.6-65.2-174.8-178.200109.5N368 P372N368-E370 VanDerWaalsContact C-N 3.29Å; E370-P372 VanDerWaalsContact O-CD 3.27Å; E370-P372 WeakPolarHBondContact O-CD 3.32Å
371V74.9Confident76.5Confident117 Ų117138.2 Ų138.271%0.70966%0.664SS**  trans-65.1118.1177.7178.90000107.4D373 F374V371-D373 PolarHBondContact O-N 3.33Å; V371-F374 HydrophobicContact CG1-CD2 4.07Å; V371-F374 HydrophobicContact CG1-CE2 3.31Å; V371-F374 HydrophobicContact CG1-CZ 4.02Å
372P80.4Confident78.2Confident74 Ų74132.4 Ų132.448%0.48164%0.639SS.*  trans-57.5139.8178.4-24.835.1000110.6E370 F374E370-P372 VanDerWaalsContact O-CD 3.27Å; E370-P372 WeakPolarHBondContact O-CD 3.32Å; P372-F374 WeakPolarHBondContact O-CD2 3.41Å; P372-F374 PolarHBondContact O-N 2.98Å
373D82.2Confident79.5Confident99 Ų99132.2 Ų132.253%0.52963%0.626SS.*  trans-64.9100.5177.1-178.8-0.5000110.3V371 N375 A376 S377V371-D373 PolarHBondContact O-N 3.33Å; D373-N375 PolarHBondContact O-N 3.48Å; D373-N375 WeakPolarHBondContact OD1-CB 3.31Å; D373-N375 PolarHBondContact OD1-N 2.95Å; D373-A376 HydrophobicContact CB-CB 4.07Å; D373-A376 PolarHBondContact O-N 3.07Å; D373-A376 PolarHBondContact OD1-N 3.39Å; D373-A376 WeakPolarHBondContact OD2-CB 3.39Å; D373-S377 PolarHBondContact O-N 3.4Å
374F85.1Confident80.7Confident135 Ų135130.3 Ų130.359%0.59262%0.618SS**Hα-helixtrans-66.4-25.6-179-64.4-68.3000112.7V371 P372 S377 Y378V371-F374 HydrophobicContact CG1-CD2 4.07Å; V371-F374 HydrophobicContact CG1-CE2 3.31Å; V371-F374 HydrophobicContact CG1-CZ 4.02Å; P372-F374 WeakPolarHBondContact O-CD2 3.41Å; P372-F374 PolarHBondContact O-N 2.98Å; F374-S377 WeakPolarHBondContact CA-OG 3.48Å; F374-S377 PolarHBondContact O-OG 3.43Å; F374-S377 VanDerWaalsContact O-OG 3.05Å; F374-Y378 WeakPolarHBondContact O-CB 3.27Å; F374-Y378 PolarHBondContact O-N 3.14Å
375N86Confident81.4Confident116 Ų116125.6 Ų125.662%0.6260%0.601SS**Hα-helixtrans-73.5-41.9177.1-70.8-40.8000110.4D373 Y378 R379D373-N375 PolarHBondContact O-N 3.48Å; D373-N375 WeakPolarHBondContact OD1-CB 3.31Å; D373-N375 PolarHBondContact OD1-N 2.95Å; N375-Y378 PolarHBondContact O-N 2.93Å; N375-R379 WeakPolarHBondContact O-CB 3.36Å; N375-R379 VanDerWaalsContact O-CG 3.27Å; N375-R379 WeakPolarHBondContact O-CG 3.43Å; N375-R379 PolarHBondContact O-N 2.94Å
376A90Very high82Confident37 Ų37127.5 Ų127.531%0.30660%0.603SS.*Hα-helixtrans-65.2-41.2174.200000111.7D373 R379 R380D373-A376 HydrophobicContact CB-CB 4.07Å; D373-A376 PolarHBondContact O-N 3.07Å; D373-A376 PolarHBondContact OD1-N 3.39Å; D373-A376 WeakPolarHBondContact OD2-CB 3.39Å; A376-R379 PolarHBondContact O-N 2.79Å; A376-R380 VanDerWaalsContact O-CG 3.29Å; A376-R380 WeakPolarHBondContact O-CG 3.45Å; A376-R380 PolarHBondContact O-N 3.39Å
377S88.3Confident82.4Confident61 Ų61126 Ų12643%0.42759%0.593SS.*Hα-helixtrans-67.3-38.9177.172.80000112.2D373 F374 R380 F381D373-S377 PolarHBondContact O-N 3.4Å; F374-S377 WeakPolarHBondContact CA-OG 3.48Å; F374-S377 PolarHBondContact O-OG 3.43Å; F374-S377 VanDerWaalsContact O-OG 3.05Å; S377-R380 PolarHBondContact O-N 3.2Å; S377-F381 WeakPolarHBondContact O-CB 3.41Å; S377-F381 PolarHBondContact O-N 3.36Å
378Y88.1Confident82.7Confident135 Ų135128.5 Ų128.553%0.52959%0.594SS.*Hα-helixtrans-64.3-42.8174.8-175.5-109.2000112.2F374 N375 R380 F381 Q382F374-Y378 WeakPolarHBondContact O-CB 3.27Å; F374-Y378 PolarHBondContact O-N 3.14Å; N375-Y378 PolarHBondContact O-N 2.93Å; Y378-R380 VanDerWaalsContact C-N 3.35Å; Y378-R380 PolarHBondContact O-N 3.15Å; Y378-F381 WeakPolarHBondContact O-CB 3.01Å; Y378-F381 PolarHBondContact O-N 3.33Å; Y378-Q382 HydrophobicContact CD1-CG 4.47Å; Y378-Q382 VanDerWaalsContact CE1-CD 3.42Å; Y378-Q382 HydrophobicContact CE1-CG 4.09Å; Y378-Q382 VanDerWaalsContact CE1-NE2 3.28Å; Y378-Q382 PolarHBondContact O-N 3.24Å; Y378-Q382 PolarHBondContact OH-NE2 3.47Å
379R92.3Very high82.7Confident177 Ų177130.9 Ų130.967%0.66860%0.598SS**Hα-helixtrans-63.6-39.1174.4-73.1176.6-177.1-153.81.3112.3N375 A376 F381 Q382 K383N375-R379 WeakPolarHBondContact O-CB 3.36Å; N375-R379 VanDerWaalsContact O-CG 3.27Å; N375-R379 WeakPolarHBondContact O-CG 3.43Å; N375-R379 PolarHBondContact O-N 2.94Å; A376-R379 PolarHBondContact O-N 2.79Å; R379-F381 VanDerWaalsContact C-N 3.34Å; R379-Q382 PolarHBondContact O-N 3.42Å; R379-K383 WeakPolarHBondContact O-CG 3.13Å; R379-K383 PolarHBondContact O-N 3.45Å
380R92.3Very high82.3Confident193 Ų193124.8 Ų124.873%0.72858%0.584SS**Hα-helixtrans-63.5-42173.8-73.9174.8-178.3-159.71.3111.1A376 S377 Y378 K383 Q384A376-R380 VanDerWaalsContact O-CG 3.29Å; A376-R380 WeakPolarHBondContact O-CG 3.45Å; A376-R380 PolarHBondContact O-N 3.39Å; S377-R380 PolarHBondContact O-N 3.2Å; Y378-R380 VanDerWaalsContact C-N 3.35Å; Y378-R380 PolarHBondContact O-N 3.15Å; R380-K383 PolarHBondContact O-N 2.85Å; R380-Q384 WeakPolarHBondContact O-CB 3.25Å; R380-Q384 PolarHBondContact O-N 3.3Å
381F89.8Confident81.6Confident120 Ų120122.9 Ų122.953%0.52658%0.583SS.*Hα-helixtrans-64.4-44.1176.9179.9-105.3000112.3S377 Y378 R379 Q384 L385S377-F381 WeakPolarHBondContact O-CB 3.41Å; S377-F381 PolarHBondContact O-N 3.36Å; Y378-F381 WeakPolarHBondContact O-CB 3.01Å; Y378-F381 PolarHBondContact O-N 3.33Å; R379-F381 VanDerWaalsContact C-N 3.34Å; F381-Q384 WeakPolarHBondContact O-CB 2.83Å; F381-Q384 PolarHBondContact O-N 3.08Å; F381-Q384 VanDerWaalsContact O-N 3.14Å; F381-L385 HydrophobicContact CD1-CD1 4.05Å; F381-L385 HydrophobicContact CD1-CG 4.49Å; F381-L385 HydrophobicContact CE1-CD1 3.48Å; F381-L385 VanDerWaalsContact CE1-CD1 3.48Å; F381-L385 HydrophobicContact CE1-CG 4.09Å; F381-L385 HydrophobicContact CZ-CD1 3.88Å; F381-L385 HydrophobicContact CZ-CD2 4.27Å; F381-L385 HydrophobicContact CZ-CG 4.11Å; F381-L385 PolarHBondContact O-N 3.23Å
382Q87.4Confident81.2Confident79 Ų79126.2 Ų126.237%0.36959%0.588SS.*Hα-helixtrans-60.7-46.2174.3-77.8-176.4-37.400112Y378 R379 Q384 L385 E386Y378-Q382 HydrophobicContact CD1-CG 4.47Å; Y378-Q382 VanDerWaalsContact CE1-CD 3.42Å; Y378-Q382 HydrophobicContact CE1-CG 4.09Å; Y378-Q382 VanDerWaalsContact CE1-NE2 3.28Å; Y378-Q382 PolarHBondContact O-N 3.24Å; Y378-Q382 PolarHBondContact OH-NE2 3.47Å; R379-Q382 PolarHBondContact O-N 3.42Å; Q382-Q384 PolarHBondContact O-N 2.86Å; Q382-L385 WeakPolarHBondContact O-CB 3.24Å; Q382-L385 PolarHBondContact O-N 3.48Å; Q382-E386 WeakPolarHBondContact O-CG 2.88Å; Q382-E386 PolarHBondContact O-N 2.86Å
383K88.6Confident80.3Confident138 Ų138128.8 Ų128.860%0.660%0.603SS**Hα-helixtrans-60.6-34.2173.8-75.3-173.7176.3-170.30112.7R379 R380 K387R379-K383 WeakPolarHBondContact O-CG 3.13Å; R379-K383 PolarHBondContact O-N 3.45Å; R380-K383 PolarHBondContact O-N 2.85Å; K383-K387 VanDerWaalsContact O-CG 3.31Å; K383-K387 WeakPolarHBondContact O-CG 3.31Å; K383-K387 PolarHBondContact O-N 2.9Å
384Q87.5Confident79.3Confident114 Ų114130.5 Ų130.553%0.53362%0.617SS.*Hα-helixtrans-68-37.4175.1-162.4103.911.400111.7R380 F381 Q382 R388R380-Q384 WeakPolarHBondContact O-CB 3.25Å; R380-Q384 PolarHBondContact O-N 3.3Å; F381-Q384 WeakPolarHBondContact O-CB 2.83Å; F381-Q384 PolarHBondContact O-N 3.08Å; F381-Q384 VanDerWaalsContact O-N 3.14Å; Q382-Q384 PolarHBondContact O-N 2.86Å; Q384-R388 WeakPolarHBondContact O-CG 3.44Å; Q384-R388 PolarHBondContact O-N 3.38Å; Q384-R388 VanDerWaalsContact O-N 3.15Å
385L82.6Confident78.2Confident87 Ų87130.2 Ų130.246%0.45563%0.626SS.*Hα-helixtrans-68.3-42.4175.2-74.5178.8000111.6F381 Q382 R388 K389F381-L385 HydrophobicContact CD1-CD1 4.05Å; F381-L385 HydrophobicContact CD1-CG 4.49Å; F381-L385 HydrophobicContact CE1-CD1 3.48Å; F381-L385 VanDerWaalsContact CE1-CD1 3.48Å; F381-L385 HydrophobicContact CE1-CG 4.09Å; F381-L385 HydrophobicContact CZ-CD1 3.88Å; F381-L385 HydrophobicContact CZ-CD2 4.27Å; F381-L385 HydrophobicContact CZ-CG 4.11Å; F381-L385 PolarHBondContact O-N 3.23Å; Q382-L385 WeakPolarHBondContact O-CB 3.24Å; Q382-L385 PolarHBondContact O-N 3.48Å; L385-R388 CarbonylContact O-C 3.58Å; L385-R388 WeakPolarHBondContact O-CA 3.44Å; L385-R388 PolarHBondContact O-N 2.99Å; L385-K389 WeakPolarHBondContact O-CB 3.39Å; L385-K389 PolarHBondContact O-N 3.13Å
386E80.9Confident77.1Confident126 Ų126129 Ų12959%0.58963%0.633SS**Hα-helixtrans-59.9-46.7175.7-73169.7177.300111Q382 R388 K389 D390Q382-E386 WeakPolarHBondContact O-CG 2.88Å; Q382-E386 PolarHBondContact O-N 2.86Å; E386-R388 PolarHBondContact O-N 2.92Å; E386-K389 WeakPolarHBondContact O-CA 3.35Å; E386-K389 WeakPolarHBondContact O-CB 3.49Å; E386-K389 PolarHBondContact O-N 3.04Å; E386-D390 PolarHBondContact O-N 3.42Å
387K76.4Confident75.8Confident157 Ų157133.1 Ų133.168%0.68366%0.658SS**Hα-helixtrans-61.5-23.2172.8-72.1179.8178.9-167.80114.7K383K383-K387 VanDerWaalsContact O-CG 3.31Å; K383-K387 WeakPolarHBondContact O-CG 3.31Å; K383-K387 PolarHBondContact O-N 2.9Å
388R71.5Confident75Confident191 Ų191138.2 Ų138.272%0.72168%0.675SS**Hα-helixtrans-90.9-12.3175.3-77.9-173.7166.6-170.5-2.4112.9Q384 L385 E386Q384-R388 WeakPolarHBondContact O-CG 3.44Å; Q384-R388 PolarHBondContact O-N 3.38Å; Q384-R388 VanDerWaalsContact O-N 3.15Å; L385-R388 CarbonylContact O-C 3.58Å; L385-R388 WeakPolarHBondContact O-CA 3.44Å; L385-R388 PolarHBondContact O-N 2.99Å; E386-R388 PolarHBondContact O-N 2.92Å
389K69.3Low74.3Confident178 Ų178137.9 Ų137.977%0.77469%0.689SS**Hα-helixtrans-87.3-12.5176-158.2-177.6176.8-169.90111.5L385 E386 V391L385-K389 WeakPolarHBondContact O-CB 3.39Å; L385-K389 PolarHBondContact O-N 3.13Å; E386-K389 WeakPolarHBondContact O-CA 3.35Å; E386-K389 WeakPolarHBondContact O-CB 3.49Å; E386-K389 PolarHBondContact O-N 3.04Å; K389-V391 PolarHBondContact O-N 3.35Å; K389-V391 VanDerWaalsContact O-N 3.1Å
390D60Low73.2Confident117 Ų117136.6 Ų136.663%0.62669%0.689SS**SBendtrans-52.3118.1163.2-63-27.3000108E386 K392E386-D390 PolarHBondContact O-N 3.42Å; D390-K392 PolarHBondContact O-N 3.49Å; D390-K392 VanDerWaalsContact O-N 3.1Å
391V61.2Low72Confident130 Ų130136.7 Ų136.779%0.78870%0.697SS**  trans-47.8115.8-168.9177.50000109.6K389 T393K389-V391 PolarHBondContact O-N 3.35Å; K389-V391 VanDerWaalsContact O-N 3.1Å; V391-T393 PolarHBondContact O-N 3.41Å
392K64.5Low70.5Confident187 Ų187136.5 Ų136.581%0.81370%0.701SS**  trans-57.9112.5166.7-66.4179.4-177.5178.40106.2D390 T394D390-K392 PolarHBondContact O-N 3.49Å; D390-K392 VanDerWaalsContact O-N 3.1Å; K392-T394 PolarHBondContact O-N 2.98Å
393T62.8Low69.5Low127 Ų127140.1 Ų140.178%0.77972%0.716SS**  trans-52116.7171.448.70000107.5V391 T395V391-T393 PolarHBondContact O-N 3.41Å; T393-T395 PolarHBondContact O-N 3.09Å
394T60.8Low68.4Low136 Ų136137.8 Ų137.883%0.83471%0.713SS**  trans-49.8112.4-179.8-550000109K392 A396K392-T394 PolarHBondContact O-N 2.98Å; T394-A396 PolarHBondContact O-N 3Å; T394-A396 VanDerWaalsContact O-N 3.09Å
395T62.8Low67.1Low128 Ų128137.9 Ų137.979%0.78573%0.726SS**  trans-65.4112.3177.5-39.10000108T393 C397T393-T395 PolarHBondContact O-N 3.09Å; T395-C397 PolarHBondContact O-N 3.02Å
396A61.8Low66.2Low92 Ų92141.1 Ų141.176%0.7674%0.739SS**PPolyproline II helixtrans-71.6125.3170.600000108.6T394 E398T394-A396 PolarHBondContact O-N 3Å; T394-A396 VanDerWaalsContact O-N 3.09Å; A396-E398 PolarHBondContact O-N 3.09Å
397C62.2Low65.6Low122 Ų122140.9 Ų140.982%0.82474%0.741SS**PPolyproline II helixtrans-71.5120.5178.6-62.70000110T395T395-C397 PolarHBondContact O-N 3.02Å
398E73.1Confident65.1Low169 Ų169138.8 Ų138.879%0.7975%0.746SS**PPolyproline II helixtrans-68.1132.3163.2-169.9-174.7-17300108.6A396 F400A396-E398 PolarHBondContact O-N 3.09Å; E398-F400 PolarHBondContact O-N 3.49Å
399P72.1Confident65Low128 Ų128134 Ų13483%0.83174%0.742SS**PPolyproline II helixtrans-67122.8179.626.3-32.2000110.3
400F68.8Low65.1Low150 Ų150130.1 Ų130.166%0.65873%0.726SS**  trans-117.1143.1175.164.5-83.7000110.8E398 L402E398-F400 PolarHBondContact O-N 3.49Å; F400-L402 HydrophobicContact CD2-CD2 4.31Å; F400-L402 HydrophobicContact CD2-CG 3.94Å; F400-L402 HydrophobicContact CE2-CD1 4Å; F400-L402 HydrophobicContact CE2-CD2 3.47Å; F400-L402 VanDerWaalsContact CE2-CD2 3.47Å; F400-L402 HydrophobicContact CE2-CG 3.42Å; F400-L402 VanDerWaalsContact CE2-CG 3.42Å; F400-L402 HydrophobicContact CZ-CD1 4.18Å; F400-L402 HydrophobicContact CZ-CD2 4.17Å; F400-L402 HydrophobicContact CZ-CG 4.1Å; F400-L402 PolarHBondContact O-N 3.07Å
401E68.3Low66Low194 Ų194133 Ų13391%0.90773%0.729SS**  trans-75.4107.7178.3-76.3-179.1162.200111.3K403E401-K403 PolarHBondContact O-N 3.18Å
402L57.9Low66.8Low116 Ų116134.7 Ų134.761%0.60773%0.728SS**  trans-78.1113.1175.6-84.4157.5000110.6F400 T404F400-L402 HydrophobicContact CD2-CD2 4.31Å; F400-L402 HydrophobicContact CD2-CG 3.94Å; F400-L402 HydrophobicContact CE2-CD1 4Å; F400-L402 HydrophobicContact CE2-CD2 3.47Å; F400-L402 VanDerWaalsContact CE2-CD2 3.47Å; F400-L402 HydrophobicContact CE2-CG 3.42Å; F400-L402 VanDerWaalsContact CE2-CG 3.42Å; F400-L402 HydrophobicContact CZ-CD1 4.18Å; F400-L402 HydrophobicContact CZ-CD2 4.17Å; F400-L402 HydrophobicContact CZ-CG 4.1Å; F400-L402 PolarHBondContact O-N 3.07Å; L402-T404 HydrophobicContact CB-CG2 4Å; L402-T404 PolarHBondContact O-N 2.97Å; L402-T404 PolarHBondContact O-OG1 3.35Å
403K66.8Low67.7Low155 Ų155133.7 Ų133.767%0.67472%0.719SS**  trans-71.947.5173.5-62.2-177.1179.2176.70113.1E401 S405 Q406E401-K403 PolarHBondContact O-N 3.18Å; K403-S405 PolarHBondContact O-N 3.1Å; K403-Q406 PolarHBondContact O-N 3.3Å
404T65.6Low68.4Low90 Ų90131.7 Ų131.755%0.55270%0.703SS**G310 helixtrans-68.9-17.7-178.148.20000113.4L402 Q406 I407L402-T404 HydrophobicContact CB-CG2 4Å; L402-T404 PolarHBondContact O-N 2.97Å; L402-T404 PolarHBondContact O-OG1 3.35Å; T404-Q406 PolarHBondContact O-N 3.07Å; T404-I407 PolarHBondContact O-N 3.1Å
405S59.9Low69.5Low115 Ų115129.9 Ų129.980%0.80469%0.687SS**G310 helixtrans-67.9-19.5174.851.20000114.1K403K403-S405 PolarHBondContact O-N 3.1Å
406Q64.5Low70.5Confident155 Ų155125.7 Ų125.772%0.72467%0.666SS**G310 helixtrans-90.4-6.6177.5-65.2-177.5-15.900113.2K403 T404K403-Q406 PolarHBondContact O-N 3.3Å; T404-Q406 PolarHBondContact O-N 3.07Å
407I66.8Low71.3Confident121 Ų121125.4 Ų125.462%0.62165%0.651SS**SBendtrans-95.8113.4-179.7-55.5174.1000107T404 S409T404-I407 PolarHBondContact O-N 3.1Å; I407-S409 PolarHBondContact O-N 2.91Å
408S67.6Low72.1Confident113 Ų113123.3 Ų123.379%0.7963%0.631SS**  trans-56.5125.1176.959.60000109.5H410S408-H410 PolarHBondContact O-N 3.24Å; S408-H410 VanDerWaalsContact O-N 3.17Å
409S67.8Low72.5Confident91 Ų91121.9 Ų121.964%0.63662%0.624SS**  trans-63.3123.7-173.566.30000109.4I407 R411I407-S409 PolarHBondContact O-N 2.91Å; S409-R411 PolarHBondContact O-N 2.92Å
410H72.4Confident72.8Confident97 Ų97122.1 Ų122.145%0.44961%0.612SS.*THydrogen-bonded Turntrans-64.98.7172.4-160.674000113.4S408 E412 R413 I414S408-H410 PolarHBondContact O-N 3.24Å; S408-H410 VanDerWaalsContact O-N 3.17Å; H410-E412 VanDerWaalsContact C-N 3.34Å; H410-E412 PolarHBondContact O-N 3.49Å; H410-R413 WeakPolarHBondContact CE1-CD 3.49Å; H410-R413 PolarHBondContact CE1-NE 3Å; H410-R413 PolarHBondContact CE1-NH1 3.31Å; H410-R413 PolarHBondContact O-N 2.86Å; H410-I414 HydrophobicContact CB-CD1 4.39Å; H410-I414 VanDerWaalsContact O-CG1 3.29Å; H410-I414 WeakPolarHBondContact O-CG1 3.45Å; H410-I414 PolarHBondContact O-N 2.83Å
411R79.3Confident72.9Confident178 Ų178118.3 Ų118.367%0.67260%0.599SS**Hα-helixtrans-56.7-44.2-175.7-176.3178178.8174.9-0.2112.1S409 R413 I414 L415S409-R411 PolarHBondContact O-N 2.92Å; R411-R413 VanDerWaalsContact C-N 3.32Å; R411-R413 PolarHBondContact O-N 3.4Å; R411-I414 PolarHBondContact O-N 3.43Å; R411-L415 HydrophobicContact CG-CD1 4.15Å; R411-L415 HydrophobicContact CG-CG 4.46Å; R411-L415 VanDerWaalsContact O-CG 3.29Å; R411-L415 WeakPolarHBondContact O-CG 3.32Å; R411-L415 PolarHBondContact O-N 2.84Å
412E78.3Confident73.1Confident165 Ų165116.6 Ų116.677%0.77159%0.591SS**Hα-helixtrans-65.9-37.5-179.6-167.4174.7-168.600111.8H410 L415 A416H410-E412 VanDerWaalsContact C-N 3.34Å; H410-E412 PolarHBondContact O-N 3.49Å; E412-L415 PolarHBondContact O-N 3.18Å; E412-A416 WeakPolarHBondContact O-CB 3.13Å; E412-A416 PolarHBondContact O-N 2.89Å
413R81.5Confident73.8Confident165 Ų165115.5 Ų115.562%0.62359%0.593SS**Hα-helixtrans-68.7-36.5174.8-173.7151163.9-157.66.1112.2H410 R411 A416 D417H410-R413 WeakPolarHBondContact CE1-CD 3.49Å; H410-R413 PolarHBondContact CE1-NE 3Å; H410-R413 PolarHBondContact CE1-NH1 3.31Å; H410-R413 PolarHBondContact O-N 2.86Å; R411-R413 VanDerWaalsContact C-N 3.32Å; R411-R413 PolarHBondContact O-N 3.4Å; R413-A416 PolarHBondContact O-N 3.22Å; R413-D417 PolarHBondContact O-N 3.38Å
414I78.4Confident73.9Confident86 Ų86109.7 Ų109.744%0.44157%0.572SS.*Hα-helixtrans-66.5-43.8173.7-66.5163.4000110.6H410 R411 A416 D417 I418H410-I414 HydrophobicContact CB-CD1 4.39Å; H410-I414 VanDerWaalsContact O-CG1 3.29Å; H410-I414 WeakPolarHBondContact O-CG1 3.45Å; H410-I414 PolarHBondContact O-N 2.83Å; R411-I414 PolarHBondContact O-N 3.43Å; I414-A416 VanDerWaalsContact C-N 3.33Å; I414-A416 PolarHBondContact O-N 3.5Å; I414-D417 PolarHBondContact O-N 2.8Å; I414-I418 HydrophobicContact CG2-CD1 3.73Å; I414-I418 HydrophobicContact CG2-CG1 4.39Å; I414-I418 VanDerWaalsContact O-CG1 3.23Å; I414-I418 WeakPolarHBondContact O-CG1 3.28Å; I414-I418 PolarHBondContact O-N 3.48Å
415L84.3Confident74Confident98 Ų98109.8 Ų109.851%0.51357%0.574SS.*Hα-helixtrans-63.1-41176.8-70.7172.7000111.4R411 E412 D417 I418 E419R411-L415 HydrophobicContact CG-CD1 4.15Å; R411-L415 HydrophobicContact CG-CG 4.46Å; R411-L415 VanDerWaalsContact O-CG 3.29Å; R411-L415 WeakPolarHBondContact O-CG 3.32Å; R411-L415 PolarHBondContact O-N 2.84Å; E412-L415 PolarHBondContact O-N 3.18Å; L415-D417 PolarHBondContact O-N 2.82Å; L415-I418 PolarHBondContact O-N 2.77Å; L415-E419 WeakPolarHBondContact O-CB 3.27Å; L415-E419 PolarHBondContact O-N 3.22Å
416A82.4Confident74Confident40 Ų40114.4 Ų114.433%0.33157%0.573SS.*Hα-helixtrans-65.4-35.8175.600000113.1E412 R413 I414 K420E412-A416 WeakPolarHBondContact O-CB 3.13Å; E412-A416 PolarHBondContact O-N 2.89Å; R413-A416 PolarHBondContact O-N 3.22Å; I414-A416 VanDerWaalsContact C-N 3.33Å; I414-A416 PolarHBondContact O-N 3.5Å; A416-K420 WeakPolarHBondContact O-CB 3.4Å; A416-K420 VanDerWaalsContact O-CG 3.3Å; A416-K420 WeakPolarHBondContact O-CG 3.48Å; A416-K420 PolarHBondContact O-N 2.76Å; A416-K420 VanDerWaalsContact O-N 3.08Å
417D78.9Confident73.6Confident86 Ų86113.9 Ų113.946%0.4658%0.575SS.*Hα-helixtrans-71.1-39.3174.1-85.7-5.5000111.5R413 I414 L415 K420 D421R413-D417 PolarHBondContact O-N 3.38Å; I414-D417 PolarHBondContact O-N 2.8Å; L415-D417 PolarHBondContact O-N 2.82Å; D417-K420 PolarHBondContact O-N 3.07Å; D417-D421 PolarHBondContact O-N 2.84Å
418I79.1Confident73Confident78 Ų78111.5 Ų111.540%0.456%0.563SS.*Hα-helixtrans-63.1-43.4174.7-68.4165.3000110.9I414 L415 K420 D421 Q422I414-I418 HydrophobicContact CG2-CD1 3.73Å; I414-I418 HydrophobicContact CG2-CG1 4.39Å; I414-I418 VanDerWaalsContact O-CG1 3.23Å; I414-I418 WeakPolarHBondContact O-CG1 3.28Å; I414-I418 PolarHBondContact O-N 3.48Å; L415-I418 PolarHBondContact O-N 2.77Å; I418-K420 VanDerWaalsContact C-N 3.33Å; I418-K420 PolarHBondContact O-N 3.34Å; I418-D421 PolarHBondContact O-N 2.93Å; I418-Q422 HydrophobicContact CG2-CG 4.47Å; I418-Q422 WeakPolarHBondContact O-CB 3.38Å; I418-Q422 VanDerWaalsContact O-CG 3.3Å; I418-Q422 WeakPolarHBondContact O-CG 3.37Å; I418-Q422 PolarHBondContact O-N 3.38Å
419E82.8Confident72.9Confident138 Ų138113.4 Ų113.465%0.64555%0.553SS**Hα-helixtrans-65.2-37.1177.6-172.9176.7-170.100111.8L415 Q422 S423L415-E419 WeakPolarHBondContact O-CB 3.27Å; L415-E419 PolarHBondContact O-N 3.22Å; E419-Q422 PolarHBondContact O-N 2.87Å; E419-S423 WeakPolarHBondContact O-CB 3.17Å; E419-S423 PolarHBondContact O-N 3.3Å; E419-S423 PolarHBondContact O-OG 2.83Å
420K77.5Confident72Confident134 Ų134118.7 Ų118.758%0.58356%0.559SS**Hα-helixtrans-65.5-40.6171.8-79.3175.3-178.3173.90112.7A416 D417 I418 Q422 S423 S424A416-K420 WeakPolarHBondContact O-CB 3.4Å; A416-K420 VanDerWaalsContact O-CG 3.3Å; A416-K420 WeakPolarHBondContact O-CG 3.48Å; A416-K420 PolarHBondContact O-N 2.76Å; A416-K420 VanDerWaalsContact O-N 3.08Å; D417-K420 PolarHBondContact O-N 3.07Å; I418-K420 VanDerWaalsContact C-N 3.33Å; I418-K420 PolarHBondContact O-N 3.34Å; K420-Q422 VanDerWaalsContact C-N 3.32Å; K420-S423 WeakPolarHBondContact CA-OG 3.35Å; K420-S423 PolarHBondContact O-N 2.8Å; K420-S423 PolarHBondContact O-OG 3.41Å; K420-S424 WeakPolarHBondContact O-CB 3.27Å; K420-S424 PolarHBondContact O-N 3.33Å
421D70.4Confident71.2Confident70 Ų70118.5 Ų118.537%0.37457%0.566SS.*Hα-helixtrans-64.8-38.8176-84-1.6000111.5D417 I418 S424D417-D421 PolarHBondContact O-N 2.84Å; I418-D421 PolarHBondContact O-N 2.93Å; D421-S424 PolarHBondContact O-OG 3.16Å
422Q73.2Confident69.6Low158 Ų158116.2 Ų116.274%0.73856%0.563SS**Hα-helixtrans-72.6-34.5178.2-72.3-177.419.200113.4I418 E419 K420I418-Q422 HydrophobicContact CG2-CG 4.47Å; I418-Q422 WeakPolarHBondContact O-CB 3.38Å; I418-Q422 VanDerWaalsContact O-CG 3.3Å; I418-Q422 WeakPolarHBondContact O-CG 3.37Å; I418-Q422 PolarHBondContact O-N 3.38Å; E419-Q422 PolarHBondContact O-N 2.87Å; K420-Q422 VanDerWaalsContact C-N 3.32Å
423S73.4Confident68.4Low93 Ų93115.4 Ų115.465%0.6556%0.562SS**Hα-helixtrans-82.3-14.4177.454.90000113.5E419 K420E419-S423 WeakPolarHBondContact O-CB 3.17Å; E419-S423 PolarHBondContact O-N 3.3Å; E419-S423 PolarHBondContact O-OG 2.83Å; K420-S423 WeakPolarHBondContact CA-OG 3.35Å; K420-S423 PolarHBondContact O-N 2.8Å; K420-S423 PolarHBondContact O-OG 3.41Å
424S68.1Low66.9Low33 Ų33111 Ų11123%0.23156%0.557CS.*SBendtrans-81.7140.5173.880.20000112K420 D421K420-S424 WeakPolarHBondContact O-CB 3.27Å; K420-S424 PolarHBondContact O-N 3.33Å; D421-S424 PolarHBondContact O-OG 3.16Å
425P66.8Low65.4Low91 Ų91112.3 Ų112.359%0.59157%0.571SS**  trans-57.7140.1171.7-20.931.5000110.7L427 L428P425-L427 PolarHBondContact O-N 3.26Å; P425-L428 PolarHBondContact O-N 2.87Å
426R60.8Low64Low212 Ų212110 Ų11080%0.857%0.571SS**G310 helixtrans-48-24-174.6-78.6-174.2-169.2-156.14115.5L428 R429R426-L428 VanDerWaalsContact C-N 3.31Å; R426-L428 PolarHBondContact O-N 3.19Å; R426-R429 PolarHBondContact O-N 2.82Å
427L56.5Low62.2Low144 Ų144114.1 Ų114.175%0.75459%0.594SS**G310 helixtrans-72.4-14.2178.8-63.8173000114.7P425P425-L427 PolarHBondContact O-N 3.26Å
428L54.8Low60.4Low72 Ų72114.5 Ų114.538%0.37761%0.61SS.*G310 helixtrans-106.12.1174.8-82.189.6000113.5P425 R426 P435P425-L428 PolarHBondContact O-N 2.87Å; R426-L428 VanDerWaalsContact C-N 3.31Å; R426-L428 PolarHBondContact O-N 3.19Å; L428-P435 HydrophobicContact CD2-CG 4.43Å
429R63.6Low58.9Low152 Ų152122.5 Ų122.557%0.57464%0.635SS**SBendtrans-75.3134.8178.8-170.5169.3174-104.41.9109.1R426 H432R426-R429 PolarHBondContact O-N 2.82Å; R429-H432 PolarHBondContact O-N 3.36Å
430W50.9Low56.8Low203 Ų203121.4 Ų121.477%0.76964%0.638SS**THydrogen-bonded Turntrans-46.2134.4178-100.586.1000111.9
431P54.3Low55.1Low92 Ų92120.7 Ų120.760%0.59765%0.647SS**THydrogen-bonded Turncis-108.257.812.440.6-30.3000113.3
432H46.8Very low53.5Low131 Ų131124.2 Ų124.261%0.60667%0.666SS**SBendtrans-134.6101166.1-67.5-68.9000112.4R429R429-H432 PolarHBondContact O-N 3.36Å
433I52.5Low52.1Low147 Ų147121.5 Ų121.575%0.75466%0.664SS**  trans51.886.6150.5-43.4173.9000115.9
434S49.6Very low50.9Low73 Ų73122.2 Ų122.251%0.5167%0.669SS.*  trans-76.4129.2155.9-28.90000109.3G436S434-G436 PolarHBondContact O-N 3.36Å
435P48Very low49.8Very low114 Ų114128.3 Ų128.374%0.7470%0.698SS**  trans-79.366.2170.432.5-31.1000109.7L428L428-P435 HydrophobicContact CD2-CG 4.43Å
436G54.3Low48.8Very low49 Ų49130 Ų13051%0.50571%0.711SS.*  trans-87152.2162.700000110S434 A438S434-G436 PolarHBondContact O-N 3.36Å; G436-A438 PolarHBondContact O-N 2.96Å
437P43.9Very low48Very low127 Ų127124.8 Ų124.883%0.82571%0.706SS**  trans-55.4121.8169.523-29.9000108R439P437-R439 PolarHBondContact O-N 3.49Å
438A41.9Very low47.4Very low94 Ų94123.4 Ų123.478%0.77771%0.709SS**  trans-52.5102.2-179.200000109.2G436 T440G436-A438 PolarHBondContact O-N 2.96Å; A438-T440 VanDerWaalsContact C-N 3.33Å; A438-T440 PolarHBondContact O-N 3.37Å
439R46.8Very low46.9Very low246 Ų246128.4 Ų128.493%0.92874%0.735SS**  trans-63105.4159.7-89.6179.5144.5-160.1-6.2105.1P437P437-R439 PolarHBondContact O-N 3.49Å
440T39.1Very low46Very low115 Ų115125.8 Ų125.871%0.70674%0.74SS**  trans-55.3127.716944.20000107.4A438 N442A438-T440 VanDerWaalsContact C-N 3.33Å; A438-T440 PolarHBondContact O-N 3.37Å; T440-N442 PolarHBondContact O-N 3.38Å
441P41Very low45.7Very low119 Ų119120.2 Ų120.277%0.77375%0.746SS**  trans-62.3114.8170.124.7-29.2000106.4S443P441-S443 VanDerWaalsContact C-N 3.32Å; P441-S443 PolarHBondContact O-N 3.15Å
442N37.9Very low45.5Very low144 Ų144120.8 Ų120.877%0.7775%0.752SS**  trans-53.396.9169.327-40.3000107.8T440 S444T440-N442 PolarHBondContact O-N 3.38Å; N442-S444 PolarHBondContact O-N 3.28Å; N442-S444 VanDerWaalsContact O-N 3.09Å
443S42.3Very low45.5Very low100 Ų100120.5 Ų120.570%0.69975%0.754SS**  trans-58.8114.2166.7580000107.5P441 L445P441-S443 VanDerWaalsContact C-N 3.32Å; P441-S443 PolarHBondContact O-N 3.15Å; S443-L445 PolarHBondContact O-N 3.05Å
444S50.2Low45.4Very low109 Ų109122.5 Ų122.576%0.76276%0.76SS**THydrogen-bonded Turntrans-77.844.6-170.347.80000113N442N442-S444 PolarHBondContact O-N 3.28Å; N442-S444 VanDerWaalsContact O-N 3.09Å
445L44.7Very low45.7Very low161 Ų161125.5 Ų125.584%0.84377%0.77SS**THydrogen-bonded Turntrans-135.220.6178.7-69.8177.3000115.2S443S443-L445 PolarHBondContact O-N 3.05Å
446C45.8Very low46.2Very low126 Ų126127 Ų12785%0.85177%0.771SS**SBendtrans-163.853.4165.6-122.70000114.5
447S43.2Very low46.4Very low102 Ų102130.7 Ų130.771%0.71379%0.786SS**  trans-122.437.5-179.7-630000114.7
448S42.8Very low47.4Very low115 Ų115128.9 Ų128.980%0.80478%0.782SS**SBendtrans-119.55178.1-50.90000115.2
449L44.5Very low48.9Very low178 Ų178134.2 Ų134.293%0.93279%0.787SS**SBendtrans-141.136.6178.9-69.7176.7000115.3
450S45.1Very low50.3Low97 Ų97126.7 Ų126.768%0.67877%0.768SS**  trans-150.569.2165-160.40000111.8S452S450-S452 VanDerWaalsContact C-N 3.33Å
451G44.9Very low52.6Low86 Ų86125.4 Ų125.489%0.88776%0.761SS**  trans-9541.7170.100000112.4
452S50.8Low54.7Low104 Ų104124.2 Ų124.273%0.72775%0.748SS**  trans-171.388.7160.366.80000110S450S450-S452 VanDerWaalsContact C-N 3.33Å
453L45.6Very low57Low124 Ų124120.4 Ų120.465%0.64974%0.736SS**  trans-143.573.4159.2-152.772.6000108.9L455L453-L455 HydrophobicContact CD1-CD2 4.19Å; L453-L455 HydrophobicContact CD2-CD1 3.88Å; L453-L455 HydrophobicContact CD2-CD2 3.54Å; L453-L455 HydrophobicContact CD2-CG 3.52Å; L453-L455 HydrophobicContact CG-CD2 3.69Å; L453-L455 HydrophobicContact CG-CG 3.64Å; L453-L455 PolarHBondContact O-N 2.98Å
454E51.7Low59.2Low190 Ų190116.8 Ų116.889%0.88871%0.71SS**  trans-59.384.9147.1-75.4-174.3162.800107.1L456E454-L456 VanDerWaalsContact C-N 3.31Å; E454-L456 PolarHBondContact O-N 3.31Å
455L55.4Low61Low135 Ų135116.6 Ų116.671%0.70770%0.695SS**  trans-66100.5163-74.5175.2000106L453L453-L455 HydrophobicContact CD1-CD2 4.19Å; L453-L455 HydrophobicContact CD2-CD1 3.88Å; L453-L455 HydrophobicContact CD2-CD2 3.54Å; L453-L455 HydrophobicContact CD2-CG 3.52Å; L453-L455 HydrophobicContact CG-CD2 3.69Å; L453-L455 HydrophobicContact CG-CG 3.64Å; L453-L455 PolarHBondContact O-N 2.98Å
456L58.7Low63.3Low147 Ų147114.7 Ų114.777%0.7768%0.68SS**  trans-45133.6162.6-68174.4000107.9E454 A458E454-L456 VanDerWaalsContact C-N 3.31Å; E454-L456 PolarHBondContact O-N 3.31Å; L456-A458 PolarHBondContact O-N 3.45Å
457P57.4Low65.5Low126 Ų126116.3 Ų116.382%0.81867%0.669SS**  trans-52.8106-177.7-24.832000109.7K459P457-K459 PolarHBondContact O-N 3.47Å
458A65.9Low67.6Low89 Ų89116.6 Ų116.674%0.73666%0.659SS**  trans-59.4129.5177.200000107.3L456 V460L456-A458 PolarHBondContact O-N 3.45Å; A458-V460 PolarHBondContact O-N 3.14Å
459K73.9Confident70Confident205 Ų205115.2 Ų115.289%0.89164%0.639SS**  trans-52.9110.9178.7-68.5179.8-179.31780108.3P457 T461P457-K459 PolarHBondContact O-N 3.47Å; K459-T461 PolarHBondContact O-N 2.93Å
460V76.3Confident72.2Confident88 Ų88109.6 Ų109.653%0.53362%0.619SS.*  trans-63.3110.7-177.5-99.60000109.5A458 T464 K465A458-V460 PolarHBondContact O-N 3.14Å; V460-T464 HydrophobicContact CG1-CG2 3.92Å; V460-K465 HydrophobicContact CB-CG 4.38Å
461T86.2Confident74.5Confident88 Ų88109.1 Ų109.154%0.5461%0.611SS.*  trans-59.8149.2172.752.80000110.9K459 A463 T464 K465K459-T461 PolarHBondContact O-N 2.93Å; T461-A463 PolarHBondContact O-N 3.42Å; T461-T464 WeakPolarHBondContact O-CA 3.27Å; T461-T464 WeakPolarHBondContact O-CB 3.41Å; T461-T464 PolarHBondContact O-N 2.93Å; T461-T464 PolarHBondContact OG1-OG1 3.28Å; T461-K465 PolarHBondContact O-N 3.32Å; T461-K465 VanDerWaalsContact O-N 3.13Å
462D85.8Confident76.9Confident95 Ų95111.3 Ų111.351%0.50859%0.593SS.*Hα-helixtrans-54.6-37.7-179-171.445.2000113T464 K465 K466D462-T464 VanDerWaalsContact C-N 3.25Å; D462-T464 PolarHBondContact O-N 3.21Å; D462-K465 WeakPolarHBondContact O-CB 3.32Å; D462-K465 PolarHBondContact O-N 2.93Å; D462-K465 VanDerWaalsContact O-N 3.12Å; D462-K466 PolarHBondContact O-N 3.36Å; D462-K466 WeakPolarHBondContact OD2-CE 3.36Å; D462-K466 IonicContact OD2-NZ 2.8Å; D462-K466 PolarHBondContact OD2-NZ 3Å
463A86.3Confident78.9Confident64 Ų64112.5 Ų112.553%0.52959%0.585SS.*Hα-helixtrans-60.2-34.4173.600000113.1T461 R467T461-A463 PolarHBondContact O-N 3.42Å; A463-R467 VanDerWaalsContact O-CG 3.3Å; A463-R467 WeakPolarHBondContact O-CG 3.47Å; A463-R467 PolarHBondContact O-N 2.97Å; A463-R467 VanDerWaalsContact O-N 3.07Å
464T88.3Confident81.2Confident23 Ų23109.2 Ų109.214%0.14158%0.575CS.*Hα-helixtrans-73.4-39.8176-60.90000110.1V460 T461 D462 R467 H468V460-T464 HydrophobicContact CG1-CG2 3.92Å; T461-T464 WeakPolarHBondContact O-CA 3.27Å; T461-T464 WeakPolarHBondContact O-CB 3.41Å; T461-T464 PolarHBondContact O-N 2.93Å; T461-T464 PolarHBondContact OG1-OG1 3.28Å; D462-T464 VanDerWaalsContact C-N 3.25Å; D462-T464 PolarHBondContact O-N 3.21Å; T464-R467 PolarHBondContact O-N 2.89Å; T464-R467 PolarHBondContact OG1-NH2 2.89Å; T464-H468 WeakPolarHBondContact CG2-CE1 3.35Å; T464-H468 WeakPolarHBondContact CG2-ND1 3.13Å; T464-H468 PolarHBondContact O-N 3.49Å; T464-H468 PolarHBondContact O-ND1 3.35Å
465K88.8Confident83.2Confident105 Ų105104.6 Ų104.646%0.45756%0.556SS.*Hα-helixtrans-60-48.1173.7-64.1-176.7-178.9-179.60111.9V460 T461 D462 R467 H468 E469V460-K465 HydrophobicContact CB-CG 4.38Å; T461-K465 PolarHBondContact O-N 3.32Å; T461-K465 VanDerWaalsContact O-N 3.13Å; D462-K465 WeakPolarHBondContact O-CB 3.32Å; D462-K465 PolarHBondContact O-N 2.93Å; D462-K465 VanDerWaalsContact O-N 3.12Å; K465-R467 PolarHBondContact O-N 3.47Å; K465-H468 PolarHBondContact O-N 2.86Å; K465-H468 VanDerWaalsContact O-N 3.12Å; K465-E469 WeakPolarHBondContact O-CG 3.33Å; K465-E469 PolarHBondContact O-N 3.43Å
466K92.9Very high85Confident122 Ų122103.3 Ų103.353%0.5355%0.547SS..Hα-helixtrans-60.7-39.1176.3-75.7175.5174148.30113.3D462 E469 A470D462-K466 PolarHBondContact O-N 3.36Å; D462-K466 WeakPolarHBondContact OD2-CE 3.36Å; D462-K466 IonicContact OD2-NZ 2.8Å; D462-K466 PolarHBondContact OD2-NZ 3Å; K466-E469 PolarHBondContact O-N 3.02Å; K466-A470 WeakPolarHBondContact O-CB 3.24Å; K466-A470 PolarHBondContact O-N 3.29Å
467R90.3Very high86.5Confident160 Ų160103 Ų10360%0.60454%0.541SS*.Hα-helixtrans-61.6-45.7172.3-76.7-174-62.9159.80.9111.8A463 T464 K465 E469 A470 V471A463-R467 VanDerWaalsContact O-CG 3.3Å; A463-R467 WeakPolarHBondContact O-CG 3.47Å; A463-R467 PolarHBondContact O-N 2.97Å; A463-R467 VanDerWaalsContact O-N 3.07Å; T464-R467 PolarHBondContact O-N 2.89Å; T464-R467 PolarHBondContact OG1-NH2 2.89Å; K465-R467 PolarHBondContact O-N 3.47Å; R467-E469 VanDerWaalsContact C-N 3.34Å; R467-E469 PolarHBondContact O-N 3.45Å; R467-A470 PolarHBondContact O-N 2.86Å; R467-V471 VanDerWaalsContact O-CG2 3.3Å; R467-V471 WeakPolarHBondContact O-CG2 3.31Å; R467-V471 PolarHBondContact O-N 2.85Å
468H88.8Confident88.2Confident108 Ų108105.4 Ų105.450%0.553%0.534SS..Hα-helixtrans-66.6-35.1178-73.182.9000112.3T464 K465 V471 R472T464-H468 WeakPolarHBondContact CG2-CE1 3.35Å; T464-H468 WeakPolarHBondContact CG2-ND1 3.13Å; T464-H468 PolarHBondContact O-N 3.49Å; T464-H468 PolarHBondContact O-ND1 3.35Å; K465-H468 PolarHBondContact O-N 2.86Å; K465-H468 VanDerWaalsContact O-N 3.12Å; H468-V471 PolarHBondContact O-N 3.23Å; H468-R472 WeakPolarHBondContact O-CB 3.32Å; H468-R472 WeakPolarHBondContact O-CG 3.27Å; H468-R472 PolarHBondContact O-N 3.45Å
469E91.6Very high89.4Confident85 Ų85107.6 Ų107.640%0.39753%0.527SS..Hα-helixtrans-66.4-42.1173.5-73.7172.9-170.800112.5K465 K466 R467 V471 R472 K473K465-E469 WeakPolarHBondContact O-CG 3.33Å; K465-E469 PolarHBondContact O-N 3.43Å; K466-E469 PolarHBondContact O-N 3.02Å; R467-E469 VanDerWaalsContact C-N 3.34Å; R467-E469 PolarHBondContact O-N 3.45Å; E469-V471 VanDerWaalsContact C-N 3.33Å; E469-R472 PolarHBondContact O-N 2.92Å; E469-K473 WeakPolarHBondContact O-CB 3.41Å; E469-K473 WeakPolarHBondContact O-CG 3.4Å; E469-K473 PolarHBondContact O-N 2.87Å
470A92.1Very high90.4Very high61 Ų61104 Ų10450%0.50451%0.511SS..Hα-helixtrans-62.3-41.9174.700000111.4K466 R467 K473 A474K466-A470 WeakPolarHBondContact O-CB 3.24Å; K466-A470 PolarHBondContact O-N 3.29Å; R467-A470 PolarHBondContact O-N 2.86Å; A470-K473 PolarHBondContact O-N 2.93Å; A470-A474 WeakPolarHBondContact O-CB 3.38Å; A470-A474 PolarHBondContact O-N 3.47Å
471V94Very high91.1Very high86 Ų86102 Ų10252%0.52150%0.504SS..Hα-helixtrans-63.8-43.8175171.60000111.3R467 H468 E469 A474 L475R467-V471 VanDerWaalsContact O-CG2 3.3Å; R467-V471 WeakPolarHBondContact O-CG2 3.31Å; R467-V471 PolarHBondContact O-N 2.85Å; H468-V471 PolarHBondContact O-N 3.23Å; E469-V471 VanDerWaalsContact C-N 3.33Å; V471-A474 PolarHBondContact O-N 2.8Å; V471-L475 HydrophobicContact CG1-CD1 4.06Å; V471-L475 WeakPolarHBondContact O-CB 3.49Å; V471-L475 WeakPolarHBondContact O-CG 3.47Å; V471-L475 PolarHBondContact O-N 3.11Å
472R94Very high91.3Very high132 Ų132102.6 Ų102.650%0.49850%0.501SS..Hα-helixtrans-59.7-48.6175.4-81.8-175.7-89.7120-6.6111.8H468 E469 A474 L475 E476H468-R472 WeakPolarHBondContact O-CB 3.32Å; H468-R472 WeakPolarHBondContact O-CG 3.27Å; H468-R472 PolarHBondContact O-N 3.45Å; E469-R472 PolarHBondContact O-N 2.92Å; R472-A474 PolarHBondContact O-N 2.77Å; R472-L475 PolarHBondContact O-N 3.37Å; R472-E476 WeakPolarHBondContact O-CG 3.29Å; R472-E476 PolarHBondContact O-N 2.79Å
473K93.8Very high91.7Very high130 Ų130102.6 Ų102.657%0.56550%0.498SS*.Hα-helixtrans-62.1-40.5177.4-73.6-179.4177.8179.70112.5E469 A470 E476 Q477E469-K473 WeakPolarHBondContact O-CB 3.41Å; E469-K473 WeakPolarHBondContact O-CG 3.4Å; E469-K473 PolarHBondContact O-N 2.87Å; A470-K473 PolarHBondContact O-N 2.93Å; K473-E476 PolarHBondContact O-N 2.92Å; K473-Q477 WeakPolarHBondContact O-CG 3.33Å; K473-Q477 PolarHBondContact O-N 3.21Å
474A94.1Very high92Very high54 Ų54106 Ų10645%0.44650%0.503SS..Hα-helixtrans-65.1-39.6176.600000112A470 V471 R472 Q477 R478A470-A474 WeakPolarHBondContact O-CB 3.38Å; A470-A474 PolarHBondContact O-N 3.47Å; V471-A474 PolarHBondContact O-N 2.8Å; R472-A474 PolarHBondContact O-N 2.77Å; A474-Q477 PolarHBondContact O-N 2.8Å; A474-R478 WeakPolarHBondContact O-CB 3.46Å; A474-R478 PolarHBondContact O-N 2.74Å
475L92.6Very high92.1Very high93 Ų93111.3 Ų111.349%0.48753%0.526SS..Hα-helixtrans-67.3-41174.7-75.3170.9000112.2V471 R472 R478 K479V471-L475 HydrophobicContact CG1-CD1 4.06Å; V471-L475 WeakPolarHBondContact O-CB 3.49Å; V471-L475 WeakPolarHBondContact O-CG 3.47Å; V471-L475 PolarHBondContact O-N 3.11Å; R472-L475 PolarHBondContact O-N 3.37Å; L475-R478 PolarHBondContact O-N 3.44Å; L475-K479 WeakPolarHBondContact O-CG 3.14Å; L475-K479 PolarHBondContact O-N 3.44Å
476E93.1Very high92.2Very high109 Ų109112.3 Ų112.351%0.50953%0.532SS..Hα-helixtrans-62.9-40.9175.1-75.3170.1-161.400112.1R472 K473 K479 K480R472-E476 WeakPolarHBondContact O-CG 3.29Å; R472-E476 PolarHBondContact O-N 2.79Å; K473-E476 PolarHBondContact O-N 2.92Å; E476-K479 PolarHBondContact O-N 2.83Å; E476-K480 WeakPolarHBondContact O-CG 3.23Å; E476-K480 PolarHBondContact O-N 3.46Å
477Q91.3Very high92.3Very high140 Ų140113.5 Ų113.565%0.65453%0.533SS*.Hα-helixtrans-64.2-42.3174.7-74.6176.1-9.500111.7K473 A474 K480 A481K473-Q477 WeakPolarHBondContact O-CG 3.33Å; K473-Q477 PolarHBondContact O-N 3.21Å; A474-Q477 PolarHBondContact O-N 2.8Å; Q477-K480 PolarHBondContact O-N 2.88Å; Q477-A481 PolarHBondContact O-N 3.19Å
478R91.9Very high92.3Very high177 Ų177113.1 Ų113.167%0.66853%0.532SS*.Hα-helixtrans-61.8-43.9175.3-176.7178.3170.8-176.4-2.9111.8A474 L475 A481 E482A474-R478 WeakPolarHBondContact O-CB 3.46Å; A474-R478 PolarHBondContact O-N 2.74Å; L475-R478 PolarHBondContact O-N 3.44Å; R478-A481 PolarHBondContact O-N 2.86Å; R478-E482 WeakPolarHBondContact O-CB 3.3Å; R478-E482 PolarHBondContact O-N 3.14Å
479K92.3Very high92.4Very high134 Ų134112.8 Ų112.858%0.58353%0.532SS*.Hα-helixtrans-62.3-43.5176.1-76.1-174.1174.6-167.40112.4L475 E476 A481 E482 E483L475-K479 WeakPolarHBondContact O-CG 3.14Å; L475-K479 PolarHBondContact O-N 3.44Å; E476-K479 PolarHBondContact O-N 2.83Å; K479-A481 VanDerWaalsContact C-N 3.34Å; K479-A481 PolarHBondContact O-N 3.33Å; K479-E482 PolarHBondContact O-N 2.97Å; K479-E483 WeakPolarHBondContact O-CG 3.39Å; K479-E483 PolarHBondContact O-N 3.38Å
480K93.3Very high92.5Very high130 Ų130114 Ų11457%0.56554%0.537SS*.Hα-helixtrans-62.6-40.6176.5-74177.1180-178.90112.3E476 Q477 E483 E484E476-K480 WeakPolarHBondContact O-CG 3.23Å; E476-K480 PolarHBondContact O-N 3.46Å; Q477-K480 PolarHBondContact O-N 2.88Å; K480-E483 PolarHBondContact O-N 3.22Å; K480-E484 WeakPolarHBondContact O-CB 3.46Å; K480-E484 WeakPolarHBondContact O-CG 3.43Å; K480-E484 PolarHBondContact O-N 2.83Å
481A91.3Very high92.6Very high45 Ų45117.1 Ų117.137%0.37254%0.54SS..Hα-helixtrans-64-42.3175.300000111.7Q477 R478 K479 E484 E485Q477-A481 PolarHBondContact O-N 3.19Å; R478-A481 PolarHBondContact O-N 2.86Å; K479-A481 VanDerWaalsContact C-N 3.34Å; K479-A481 PolarHBondContact O-N 3.33Å; A481-E484 PolarHBondContact O-N 3.29Å; A481-E485 WeakPolarHBondContact O-CG 3.47Å; A481-E485 PolarHBondContact O-N 3.5Å
482E91.8Very high92.4Very high102 Ų102116.3 Ų116.348%0.47753%0.53SS..Hα-helixtrans-62.4-44.9175.4-172168.7-157.600111.8R478 K479 E484 E485 E486R478-E482 WeakPolarHBondContact O-CB 3.3Å; R478-E482 PolarHBondContact O-N 3.14Å; K479-E482 PolarHBondContact O-N 2.97Å; E482-E484 VanDerWaalsContact C-N 3.33Å; E482-E484 PolarHBondContact O-N 3.43Å; E482-E485 PolarHBondContact O-N 3.45Å; E482-E486 WeakPolarHBondContact O-CG 3.46Å; E482-E486 PolarHBondContact O-N 3.46Å
483E93.4Very high92.4Very high95 Ų95116.5 Ų116.544%0.44453%0.531SS..Hα-helixtrans-61.6-37.4174.1-73.7174.9-159.200112.7K479 K480 R487K479-E483 WeakPolarHBondContact O-CG 3.39Å; K479-E483 PolarHBondContact O-N 3.38Å; K480-E483 PolarHBondContact O-N 3.22Å; E483-R487 WeakPolarHBondContact O-CB 3.26Å; E483-R487 WeakPolarHBondContact O-CG 3.29Å; E483-R487 PolarHBondContact O-N 2.88Å
484E92.2Very high92.5Very high135 Ų135114.8 Ų114.863%0.63153%0.525SS*.Hα-helixtrans-69.2-39.3175.8-76.1178.5-174.200112.1K480 A481 E482 R487 W488K480-E484 WeakPolarHBondContact O-CB 3.46Å; K480-E484 WeakPolarHBondContact O-CG 3.43Å; K480-E484 PolarHBondContact O-N 2.83Å; A481-E484 PolarHBondContact O-N 3.29Å; E482-E484 VanDerWaalsContact C-N 3.33Å; E482-E484 PolarHBondContact O-N 3.43Å; E484-R487 PolarHBondContact O-N 2.95Å; E484-W488 WeakPolarHBondContact O-CB 3.4Å; E484-W488 PolarHBondContact O-N 3.24Å
485E90.6Very high92.4Very high135 Ų135119.9 Ų119.963%0.63153%0.532SS*.Hα-helixtrans-63.7-44.1173.2-75.5-177.4-178.900111.4A481 E482 W488 M489A481-E485 WeakPolarHBondContact O-CG 3.47Å; A481-E485 PolarHBondContact O-N 3.5Å; E482-E485 PolarHBondContact O-N 3.45Å; E485-W488 WeakPolarHBondContact O-CB 3.31Å; E485-W488 PolarHBondContact O-N 3.02Å; E485-M489 WeakPolarHBondContact O-CG 3.28Å; E485-M489 PolarHBondContact O-N 3.45Å
486E91.1Very high92.5Very high125 Ų125121.8 Ų121.858%0.58454%0.539SS*.Hα-helixtrans-60.5-46.8175.6-75.3-176.6167.400111.9E482 W488 M489 E490E482-E486 WeakPolarHBondContact O-CG 3.46Å; E482-E486 PolarHBondContact O-N 3.46Å; E486-W488 VanDerWaalsContact C-N 3.25Å; E486-W488 PolarHBondContact O-N 3.05Å; E486-M489 PolarHBondContact O-N 2.84Å; E486-E490 WeakPolarHBondContact O-CB 3.28Å; E486-E490 PolarHBondContact O-N 3.32Å
487R94.1Very high92.6Very high148 Ų148121.4 Ų121.456%0.55854%0.536SS*.Hα-helixtrans-61.6-34.7175.7-73.4172.1-176.2-174.35.3112.3E483 E484 K491E483-R487 WeakPolarHBondContact O-CB 3.26Å; E483-R487 WeakPolarHBondContact O-CG 3.29Å; E483-R487 PolarHBondContact O-N 2.88Å; E484-R487 PolarHBondContact O-N 2.95Å; R487-K491 WeakPolarHBondContact O-CB 3.47Å; R487-K491 VanDerWaalsContact O-CG 3.27Å; R487-K491 WeakPolarHBondContact O-CG 3.31Å; R487-K491 PolarHBondContact O-N 3.48Å; R487-K491 VanDerWaalsContact O-N 3.14Å
488W91.8Very high92.8Very high152 Ų152119.9 Ų119.958%0.57653%0.527SS*.Hα-helixtrans-69.4-45.2175.2-177.985.9000111.2E484 E485 E486 E490 K491 Q492E484-W488 WeakPolarHBondContact O-CB 3.4Å; E484-W488 PolarHBondContact O-N 3.24Å; E485-W488 WeakPolarHBondContact O-CB 3.31Å; E485-W488 PolarHBondContact O-N 3.02Å; E486-W488 VanDerWaalsContact C-N 3.25Å; E486-W488 PolarHBondContact O-N 3.05Å; W488-E490 VanDerWaalsContact C-N 3.35Å; W488-E490 PolarHBondContact O-N 3.28Å; W488-K491 PolarHBondContact O-N 2.93Å; W488-Q492 HydrophobicContact CD2-CG 4.15Å; W488-Q492 HydrophobicContact CE3-CG 4.29Å; W488-Q492 HydrophobicContact CH2-CG 4.13Å; W488-Q492 HydrophobicContact CZ2-CG 3.98Å; W488-Q492 HydrophobicContact CZ3-CG 4.29Å; W488-Q492 WeakPolarHBondContact O-CG 3.2Å; W488-Q492 PolarHBondContact O-N 3.48Å
489M90.4Very high92.9Very high101 Ų101116.2 Ų116.250%0.49852%0.52SS..Hα-helixtrans-61.6-40.7176.2-71.8-59.4-6800112.3E485 E486 Q492 R493E485-M489 WeakPolarHBondContact O-CG 3.28Å; E485-M489 PolarHBondContact O-N 3.45Å; E486-M489 PolarHBondContact O-N 2.84Å; M489-Q492 PolarHBondContact O-N 2.9Å; M489-R493 WeakPolarHBondContact O-CB 3.28Å; M489-R493 PolarHBondContact O-N 3.39Å
490E93.4Very high92.9Very high110 Ų110116 Ų11651%0.51452%0.521SS..Hα-helixtrans-63.9-45176.1-172.6173-146.100111.4E486 W488 Q492 R493 E494E486-E490 WeakPolarHBondContact O-CB 3.28Å; E486-E490 PolarHBondContact O-N 3.32Å; W488-E490 VanDerWaalsContact C-N 3.35Å; W488-E490 PolarHBondContact O-N 3.28Å; E490-Q492 VanDerWaalsContact C-N 3.29Å; E490-Q492 PolarHBondContact O-N 3.01Å; E490-R493 PolarHBondContact O-N 2.89Å; E490-E494 PolarHBondContact O-N 3.5Å
491K94.5Very high92.9Very high127 Ų127117 Ų11755%0.55252%0.521SS*.Hα-helixtrans-60.3-37.7173.5-75.1171.9-176.31740112.4R487 W488 R495R487-K491 WeakPolarHBondContact O-CB 3.47Å; R487-K491 VanDerWaalsContact O-CG 3.27Å; R487-K491 WeakPolarHBondContact O-CG 3.31Å; R487-K491 PolarHBondContact O-N 3.48Å; R487-K491 VanDerWaalsContact O-N 3.14Å; W488-K491 PolarHBondContact O-N 2.93Å; K491-R495 VanDerWaalsContact O-CG 3.24Å; K491-R495 WeakPolarHBondContact O-CG 3.16Å; K491-R495 PolarHBondContact O-N 3.08Å; K491-R495 VanDerWaalsContact O-N 3.13Å
492Q88.6Confident92.9Very high68 Ų68119.8 Ų119.832%0.31853%0.528SS..Hα-helixtrans-66.4-46.5174.1-68-56.7-30.100111.2W488 M489 E490 E494 R495 E496W488-Q492 HydrophobicContact CD2-CG 4.15Å; W488-Q492 HydrophobicContact CE3-CG 4.29Å; W488-Q492 HydrophobicContact CH2-CG 4.13Å; W488-Q492 HydrophobicContact CZ2-CG 3.98Å; W488-Q492 HydrophobicContact CZ3-CG 4.29Å; W488-Q492 WeakPolarHBondContact O-CG 3.2Å; W488-Q492 PolarHBondContact O-N 3.48Å; M489-Q492 PolarHBondContact O-N 2.9Å; E490-Q492 VanDerWaalsContact C-N 3.29Å; E490-Q492 PolarHBondContact O-N 3.01Å; Q492-E494 VanDerWaalsContact C-N 3.3Å; Q492-E494 PolarHBondContact O-N 2.89Å; Q492-R495 WeakPolarHBondContact O-CB 3.33Å; Q492-R495 PolarHBondContact O-N 2.78Å; Q492-R495 VanDerWaalsContact O-N 3.08Å; Q492-E496 WeakPolarHBondContact O-CB 3.42Å; Q492-E496 PolarHBondContact O-N 3.42Å
493R94.6Very high93Very high136 Ų136119 Ų11951%0.51353%0.53SS..Hα-helixtrans-60.2-39.1177.2-169.9-174.9-67.6150.4-3.6111.9M489 E490 E496 K497M489-R493 WeakPolarHBondContact O-CB 3.28Å; M489-R493 PolarHBondContact O-N 3.39Å; E490-R493 PolarHBondContact O-N 2.89Å; R493-E496 PolarHBondContact O-N 3.26Å; R493-K497 HydrophobicContact CG-CD 4.43Å; R493-K497 WeakPolarHBondContact O-CB 3.26Å; R493-K497 VanDerWaalsContact O-CG 3.27Å; R493-K497 WeakPolarHBondContact O-CG 3.29Å; R493-K497 PolarHBondContact O-N 3.31Å
494E95.4Very high92.8Very high95 Ų95119 Ų11944%0.44453%0.532SS..Hα-helixtrans-62.8-43.8173.2-79.3-168.6-172.400112.5E490 Q492 E496 K497 K498E490-E494 PolarHBondContact O-N 3.5Å; Q492-E494 VanDerWaalsContact C-N 3.3Å; Q492-E494 PolarHBondContact O-N 2.89Å; E494-E496 VanDerWaalsContact C-N 3.35Å; E494-K497 PolarHBondContact O-N 3.02Å; E494-K498 WeakPolarHBondContact O-CB 3.45Å; E494-K498 VanDerWaalsContact O-CG 3.25Å; E494-K498 WeakPolarHBondContact O-CG 3.32Å; E494-K498 PolarHBondContact O-N 3.46Å; E494-K498 IonicContact OE2-NZ 3.98Å; E494-K498 PolarHBondContact OE2-NZ 3.5Å
495R93.9Very high92.5Very high160 Ų160119.9 Ų119.960%0.60453%0.534SS*.Hα-helixtrans-63.7-43.1177.6-72.8169.9-179.4-165.3-0.5110.9K491 Q492 K498 L499K491-R495 VanDerWaalsContact O-CG 3.24Å; K491-R495 WeakPolarHBondContact O-CG 3.16Å; K491-R495 PolarHBondContact O-N 3.08Å; K491-R495 VanDerWaalsContact O-N 3.13Å; Q492-R495 WeakPolarHBondContact O-CB 3.33Å; Q492-R495 PolarHBondContact O-N 2.78Å; Q492-R495 VanDerWaalsContact O-N 3.08Å; R495-K498 PolarHBondContact O-N 2.94Å; R495-L499 WeakPolarHBondContact O-CB 3.44Å; R495-L499 PolarHBondContact O-N 2.94Å
496E93.3Very high92.2Very high133 Ų133121.3 Ų121.362%0.62153%0.534SS*.Hα-helixtrans-61.9-48.5175-174.8178-165.600111.5Q492 R493 E494 K498 L499 Q500Q492-E496 WeakPolarHBondContact O-CB 3.42Å; Q492-E496 PolarHBondContact O-N 3.42Å; R493-E496 PolarHBondContact O-N 3.26Å; E494-E496 VanDerWaalsContact C-N 3.35Å; E496-K498 VanDerWaalsContact C-N 3.28Å; E496-K498 PolarHBondContact O-N 2.93Å; E496-L499 CarbonylContact O-C 3.5Å; E496-L499 WeakPolarHBondContact O-CB 3.49Å; E496-L499 PolarHBondContact O-N 2.9Å; E496-L499 VanDerWaalsContact O-N 3.11Å; E496-Q500 WeakPolarHBondContact O-CB 3.27Å; E496-Q500 PolarHBondContact O-N 3.07Å
497K95.1Very high91.8Very high102 Ų102117.9 Ų117.944%0.44353%0.526SS..Hα-helixtrans-60.2-36175.2-75.8177.5177.9-177.30112.6R493 E494 R501R493-K497 HydrophobicContact CG-CD 4.43Å; R493-K497 WeakPolarHBondContact O-CB 3.26Å; R493-K497 VanDerWaalsContact O-CG 3.27Å; R493-K497 WeakPolarHBondContact O-CG 3.29Å; R493-K497 PolarHBondContact O-N 3.31Å; E494-K497 PolarHBondContact O-N 3.02Å; K497-R501 WeakPolarHBondContact O-CB 3.45Å; K497-R501 WeakPolarHBondContact O-CG 3.36Å; K497-R501 PolarHBondContact O-N 3.44Å; K497-R501 VanDerWaalsContact O-N 3.14Å; K497-R501 PolarHBondContact O-NE 3.23Å; K497-R501 VanDerWaalsContact O-NE 3.17Å
498K96.1Very high91.2Very high108 Ų108114.9 Ų114.947%0.4752%0.519SS..Hα-helixtrans-67.9-43.7174.6-76.1166.3-179.2161.30110.5E494 R495 E496 R501 M502E494-K498 WeakPolarHBondContact O-CB 3.45Å; E494-K498 VanDerWaalsContact O-CG 3.25Å; E494-K498 WeakPolarHBondContact O-CG 3.32Å; E494-K498 PolarHBondContact O-N 3.46Å; E494-K498 IonicContact OE2-NZ 3.98Å; E494-K498 PolarHBondContact OE2-NZ 3.5Å; R495-K498 PolarHBondContact O-N 2.94Å; E496-K498 VanDerWaalsContact C-N 3.28Å; E496-K498 PolarHBondContact O-N 2.93Å; K498-R501 PolarHBondContact O-N 2.91Å; K498-M502 WeakPolarHBondContact O-CG 3.31Å; K498-M502 PolarHBondContact O-N 3.33Å; K498-M502 VanDerWaalsContact O-N 3.14Å
499L93.4Very high90.5Very high99 Ų99111.7 Ų111.752%0.51853%0.525SS..Hα-helixtrans-62.6-49.1175.9-179.161.9000111.6R495 E496 R501 M502 V503R495-L499 WeakPolarHBondContact O-CB 3.44Å; R495-L499 PolarHBondContact O-N 2.94Å; E496-L499 CarbonylContact O-C 3.5Å; E496-L499 WeakPolarHBondContact O-CB 3.49Å; E496-L499 PolarHBondContact O-N 2.9Å; E496-L499 VanDerWaalsContact O-N 3.11Å; L499-R501 VanDerWaalsContact C-N 3.28Å; L499-R501 PolarHBondContact O-N 3.45Å; L499-M502 HydrophobicContact CD1-CE 4.1Å; L499-M502 WeakPolarHBondContact O-CB 3.44Å; L499-M502 PolarHBondContact O-N 3.46Å; L499-V503 HydrophobicContact CD1-CG2 4.18Å; L499-V503 HydrophobicContact CG-CG2 4.3Å; L499-V503 WeakPolarHBondContact O-CG2 3.29Å; L499-V503 PolarHBondContact O-N 3.42Å
500Q92.8Very high90Very high131 Ų131111.1 Ų111.161%0.61252%0.524SS*.Hα-helixtrans-55.8-43177.3-171-1741700111.4E496 M502 V503 L504E496-Q500 WeakPolarHBondContact O-CB 3.27Å; E496-Q500 PolarHBondContact O-N 3.07Å; Q500-M502 PolarHBondContact O-N 3.36Å; Q500-V503 PolarHBondContact O-N 2.95Å; Q500-L504 VanDerWaalsContact O-CB 3.26Å; Q500-L504 WeakPolarHBondContact O-CB 3.4Å; Q500-L504 PolarHBondContact O-N 3.39Å
501R92.8Very high89.2Confident149 Ų149109.7 Ų109.756%0.56252%0.52SS*.Hα-helixtrans-61.5-41.6174.6-81.2-178.1-88.3174.5-13.5112.9K497 K498 L499 K505K497-R501 WeakPolarHBondContact O-CB 3.45Å; K497-R501 WeakPolarHBondContact O-CG 3.36Å; K497-R501 PolarHBondContact O-N 3.44Å; K497-R501 VanDerWaalsContact O-N 3.14Å; K497-R501 PolarHBondContact O-NE 3.23Å; K497-R501 VanDerWaalsContact O-NE 3.17Å; K498-R501 PolarHBondContact O-N 2.91Å; L499-R501 VanDerWaalsContact C-N 3.28Å; L499-R501 PolarHBondContact O-N 3.45Å; R501-K505 WeakPolarHBondContact O-CG 3.35Å; R501-K505 PolarHBondContact O-N 2.86Å; R501-K505 VanDerWaalsContact O-N 3.1Å
502M92.3Very high88.4Confident105 Ų105109.2 Ų109.252%0.51753%0.53SS..Hα-helixtrans-68-42.4176.6-68.9-173.3-6500111.9K498 L499 Q500 K505 R506K498-M502 WeakPolarHBondContact O-CG 3.31Å; K498-M502 PolarHBondContact O-N 3.33Å; K498-M502 VanDerWaalsContact O-N 3.14Å; L499-M502 HydrophobicContact CD1-CE 4.1Å; L499-M502 WeakPolarHBondContact O-CB 3.44Å; L499-M502 PolarHBondContact O-N 3.46Å; Q500-M502 PolarHBondContact O-N 3.36Å; M502-K505 PolarHBondContact O-N 2.97Å; M502-R506 WeakPolarHBondContact O-CG 3.29Å; M502-R506 PolarHBondContact O-N 3.17Å
503V93.2Very high87.6Confident84 Ų84112.9 Ų112.951%0.50955%0.546SS..Hα-helixtrans-62.4-46.8176.8172.70000110.2L499 Q500 K505 R506 A507L499-V503 HydrophobicContact CD1-CG2 4.18Å; L499-V503 HydrophobicContact CG-CG2 4.3Å; L499-V503 WeakPolarHBondContact O-CG2 3.29Å; L499-V503 PolarHBondContact O-N 3.42Å; Q500-V503 PolarHBondContact O-N 2.95Å; V503-K505 PolarHBondContact O-N 3.38Å; V503-R506 PolarHBondContact O-N 2.8Å; V503-A507 WeakPolarHBondContact O-CB 3.38Å; V503-A507 PolarHBondContact O-N 3.49Å
504L88.8Confident86.5Confident96 Ų96112.5 Ų112.550%0.50355%0.554SS.*Hα-helixtrans-59.5-44.4177.9-177.164.8000111.8Q500 R506 A507 Q508Q500-L504 VanDerWaalsContact O-CB 3.26Å; Q500-L504 WeakPolarHBondContact O-CB 3.4Å; Q500-L504 PolarHBondContact O-N 3.39Å; L504-R506 PolarHBondContact O-N 3.44Å; L504-A507 PolarHBondContact O-N 2.89Å; L504-Q508 HydrophobicContact CD1-CG 4.44Å; L504-Q508 WeakPolarHBondContact O-CB 3.5Å; L504-Q508 VanDerWaalsContact O-CG 3.26Å; L504-Q508 WeakPolarHBondContact O-CG 3.36Å; L504-Q508 PolarHBondContact O-N 2.92Å
505K85.8Confident85.4Confident153 Ų153109.9 Ų109.967%0.66555%0.549SS*.Hα-helixtrans-62-41.1176.2-75.6-179.7178.9-1700112.5R501 M502 V503 A509R501-K505 WeakPolarHBondContact O-CG 3.35Å; R501-K505 PolarHBondContact O-N 2.86Å; R501-K505 VanDerWaalsContact O-N 3.1Å; M502-K505 PolarHBondContact O-N 2.97Å; V503-K505 PolarHBondContact O-N 3.38Å; K505-A509 WeakPolarHBondContact O-CB 3.41Å; K505-A509 PolarHBondContact O-N 3.4Å; K505-A509 VanDerWaalsContact O-N 3.08Å
506R85Confident84.1Confident166 Ų166108.3 Ų108.363%0.62655%0.552SS**Hα-helixtrans-68.9-42177.2-74.3-177.8177.7171.21.2111.9M502 V503 L504 A509 N510M502-R506 WeakPolarHBondContact O-CG 3.29Å; M502-R506 PolarHBondContact O-N 3.17Å; V503-R506 PolarHBondContact O-N 2.8Å; L504-R506 PolarHBondContact O-N 3.44Å; R506-A509 PolarHBondContact O-N 2.99Å; R506-N510 VanDerWaalsContact O-CG 3.23Å; R506-N510 PolarHBondContact O-N 2.77Å; R506-N510 VanDerWaalsContact O-N 3.1Å; R506-N510 PolarHBondContact O-ND2 3.03Å; R506-N510 VanDerWaalsContact O-ND2 3.16Å
507A82.9Confident83.1Confident52 Ų52105.9 Ų105.943%0.4355%0.549SS..Hα-helixtrans-61.6-45.617600000111.1V503 L504 A509 N510 D511V503-A507 WeakPolarHBondContact O-CB 3.38Å; V503-A507 PolarHBondContact O-N 3.49Å; L504-A507 PolarHBondContact O-N 2.89Å; A507-A509 VanDerWaalsContact C-N 3.31Å; A507-A509 PolarHBondContact O-N 3.18Å; A507-N510 CarbonylContact O-C 3.58Å; A507-N510 PolarHBondContact O-N 3.25Å; A507-N510 VanDerWaalsContact O-N 3.11Å; A507-D511 WeakPolarHBondContact O-CB 3.49Å; A507-D511 PolarHBondContact O-N 3.24Å
508Q81.9Confident82.2Confident86 Ų86105.2 Ų105.240%0.40255%0.548SS..Hα-helixtrans-61.8-35.9175.1-74.9174.3-300113.3L504 N510L504-Q508 HydrophobicContact CD1-CG 4.44Å; L504-Q508 WeakPolarHBondContact O-CB 3.5Å; L504-Q508 VanDerWaalsContact O-CG 3.26Å; L504-Q508 WeakPolarHBondContact O-CG 3.36Å; L504-Q508 PolarHBondContact O-N 2.92Å; Q508-N510 VanDerWaalsContact C-N 3.27Å; Q508-N510 PolarHBondContact O-N 2.93Å
509A77Confident81.3Confident85 Ų85101.3 Ų101.370%0.70253%0.533SS*.Hα-helixtrans-71.4-24.4176.400000113K505 R506 A507K505-A509 WeakPolarHBondContact O-CB 3.41Å; K505-A509 PolarHBondContact O-N 3.4Å; K505-A509 VanDerWaalsContact O-N 3.08Å; R506-A509 PolarHBondContact O-N 2.99Å; A507-A509 VanDerWaalsContact C-N 3.31Å; A507-A509 PolarHBondContact O-N 3.18Å
510N78.4Confident80.7Confident88 Ų88100.4 Ų100.447%0.47153%0.529SS..Hα-helixtrans-94.1-11.2178.4-66.5-33000113R207 R506 A507 Q508 P512R207-N510 PolarHBondContact NH1-OD1 3.25Å; R207-N510 PolarHBondContact NH2-ND2 3.31Å; R207-N510 PolarHBondContact NH2-OD1 3.39Å; R506-N510 VanDerWaalsContact O-CG 3.23Å; R506-N510 PolarHBondContact O-N 2.77Å; R506-N510 VanDerWaalsContact O-N 3.1Å; R506-N510 PolarHBondContact O-ND2 3.03Å; R506-N510 VanDerWaalsContact O-ND2 3.16Å; A507-N510 CarbonylContact O-C 3.58Å; A507-N510 PolarHBondContact O-N 3.25Å; A507-N510 VanDerWaalsContact O-N 3.11Å; Q508-N510 VanDerWaalsContact C-N 3.27Å; Q508-N510 PolarHBondContact O-N 2.93Å; N510-P512 WeakPolarHBondContact O-CD 3.29Å
511D78.4Confident80.3Confident81 Ų81100.5 Ų100.543%0.43353%0.527SS..  trans-90.6110.5177-170.5-6.2000109.1A507 H513A507-D511 WeakPolarHBondContact O-CB 3.49Å; A507-D511 PolarHBondContact O-N 3.24Å; D511-H513 PolarHBondContact O-N 3.36Å; D511-H513 PolarHBondContact OD1-N 3.1Å
512P75.7Confident79.9Confident117 Ų11796 Ų9676%0.7652%0.518SS*.SBendtrans-67.7-13.9176.528.5-34000112.4N510N510-P512 WeakPolarHBondContact O-CD 3.29Å
513H72.1Confident79.7Confident144 Ų14496 Ų9667%0.66752%0.516SS*.SBendtrans-102.5129.3178.7-62.4-67.2000111.3D511 A515D511-H513 PolarHBondContact O-N 3.36Å; D511-H513 PolarHBondContact OD1-N 3.1Å; H513-A515 PolarHBondContact O-N 3.3Å
514L71.2Confident79.5Confident129 Ų12996.6 Ų96.668%0.67552%0.515SS*.PPolyproline II helixtrans-69.5121.4169.5-71.5167.4000109.2L516 T519L514-L516 PolarHBondContact O-N 3.32Å; L514-T519 HydrophobicContact CB-CG2 3.58Å; L514-T519 HydrophobicContact CD1-CG2 4.15Å; L514-T519 HydrophobicContact CG-CG2 4.5Å
515A72.8Confident79.6Confident40 Ų4098.7 Ų98.733%0.33152%0.52SS..PPolyproline II helixtrans-50.5129.7175.800000111H513 S517 Q518 T519H513-A515 PolarHBondContact O-N 3.3Å; A515-S517 PolarHBondContact O-N 3.17Å; A515-Q518 HydrophobicContact CB-CG 4.33Å; A515-Q518 WeakPolarHBondContact O-CB 3.27Å; A515-Q518 PolarHBondContact O-N 2.85Å; A515-T519 PolarHBondContact O-N 3.5Å
516L66.4Low79.9Confident127 Ų12796.4 Ų96.467%0.66551%0.512SS*.Hα-helixtrans-52.4-34-178.8-76.1167.9000112.7L514 Q518 T519 N520L514-L516 PolarHBondContact O-N 3.32Å; L516-Q518 PolarHBondContact O-N 3.29Å; L516-T519 PolarHBondContact O-N 3.17Å; L516-T519 PolarHBondContact O-OG1 2.91Å; L516-N520 VanDerWaalsContact O-CB 3.24Å; L516-N520 WeakPolarHBondContact O-CB 3.46Å; L516-N520 PolarHBondContact O-N 2.86Å; L516-N520 PolarHBondContact O-ND2 2.79Å; L516-N520 PolarHBondContact O-OD1 3.43Å
517S73.8Confident80.3Confident82 Ų8294 Ų9457%0.57351%0.507SS*.Hα-helixtrans-62.7-26.4176.962.50000114.1A515A515-S517 PolarHBondContact O-N 3.17Å
518Q75.1Confident80.9Confident88 Ų8899 Ų9941%0.41151%0.514SS..Hα-helixtrans-84.2-42.6176.6-60.5-176.95.700111.2A515 L516A515-Q518 HydrophobicContact CB-CG 4.33Å; A515-Q518 WeakPolarHBondContact O-CB 3.27Å; A515-Q518 PolarHBondContact O-N 2.85Å; L516-Q518 PolarHBondContact O-N 3.29Å
519T77.9Confident81.6Confident26 Ų26102.2 Ų102.216%0.1653%0.527CS..Hα-helixtrans-75.4-31-178.260.80000113L514 A515 L516 K521 S522 K523L514-T519 HydrophobicContact CB-CG2 3.58Å; L514-T519 HydrophobicContact CD1-CG2 4.15Å; L514-T519 HydrophobicContact CG-CG2 4.5Å; A515-T519 PolarHBondContact O-N 3.5Å; L516-T519 PolarHBondContact O-N 3.17Å; L516-T519 PolarHBondContact O-OG1 2.91Å; T519-K521 VanDerWaalsContact C-N 3.29Å; T519-K521 PolarHBondContact O-N 3.45Å; T519-S522 PolarHBondContact O-N 3.17Å; T519-S522 PolarHBondContact O-OG 3.37Å; T519-K523 WeakPolarHBondContact O-CB 3.27Å; T519-K523 VanDerWaalsContact O-CG 3.3Å; T519-K523 WeakPolarHBondContact O-CG 3.2Å; T519-K523 PolarHBondContact O-N 3.36Å
520N80.4Confident82.4Confident80 Ų80103.1 Ų103.143%0.42852%0.516SS..Hα-helixtrans-61.8-38.6178.7-71.4-11000111.6L516 L524L516-N520 VanDerWaalsContact O-CB 3.24Å; L516-N520 WeakPolarHBondContact O-CB 3.46Å; L516-N520 PolarHBondContact O-N 2.86Å; L516-N520 PolarHBondContact O-ND2 2.79Å; L516-N520 PolarHBondContact O-OD1 3.43Å; N520-L524 VanDerWaalsContact O-CB 3.3Å; N520-L524 WeakPolarHBondContact O-CB 3.29Å; N520-L524 WeakPolarHBondContact O-CD1 3.42Å; N520-L524 WeakPolarHBondContact O-CG 3.38Å; N520-L524 PolarHBondContact O-N 2.84Å
521K84.5Confident83.1Confident132 Ų132102.2 Ų102.257%0.57451%0.512SS*.Hα-helixtrans-70.5-38.8-178.5-67-176.8-176.6179.60112.9T519 K525T519-K521 VanDerWaalsContact C-N 3.29Å; T519-K521 PolarHBondContact O-N 3.45Å; K521-K525 WeakPolarHBondContact O-CG 3.43Å; K521-K525 PolarHBondContact O-N 2.8Å
522S84Confident83.9Confident55 Ų55103.8 Ų103.839%0.38552%0.519SS..Hα-helixtrans-70.2-44.8175.555.30000111T519 L524 K525 E526T519-S522 PolarHBondContact O-N 3.17Å; T519-S522 PolarHBondContact O-OG 3.37Å; S522-L524 PolarHBondContact O-N 3.26Å; S522-K525 WeakPolarHBondContact O-CB 3.41Å; S522-K525 PolarHBondContact O-N 3.01Å; S522-E526 PolarHBondContact O-N 2.99Å
523K88.4Confident84.8Confident106 Ų106102.4 Ų102.446%0.46150%0.502SS..Hα-helixtrans-59.3-43176.1-73.5-178.8176.7-176.30112.6T519 K525 E526 F527T519-K523 WeakPolarHBondContact O-CB 3.27Å; T519-K523 VanDerWaalsContact O-CG 3.3Å; T519-K523 WeakPolarHBondContact O-CG 3.2Å; T519-K523 PolarHBondContact O-N 3.36Å; K523-K525 VanDerWaalsContact C-N 3.3Å; K523-K525 PolarHBondContact O-N 3.01Å; K523-E526 WeakPolarHBondContact O-CB 3.46Å; K523-E526 PolarHBondContact O-N 3.27Å; K523-E526 VanDerWaalsContact O-N 3.16Å; K523-F527 HydrophobicContact CB-CE2 4.2Å; K523-F527 WeakPolarHBondContact O-CD2 3.45Å; K523-F527 WeakPolarHBondContact O-CG 3.46Å; K523-F527 PolarHBondContact O-N 3.29Å
524L88.2Confident86Confident96 Ų96103 Ų10350%0.50350%0.499SS..Hα-helixtrans-58.1-40.3173.7-89.2153.8000112.4N520 S522 R528N520-L524 VanDerWaalsContact O-CB 3.3Å; N520-L524 WeakPolarHBondContact O-CB 3.29Å; N520-L524 WeakPolarHBondContact O-CD1 3.42Å; N520-L524 WeakPolarHBondContact O-CG 3.38Å; N520-L524 PolarHBondContact O-N 2.84Å; S522-L524 PolarHBondContact O-N 3.26Å; L524-R528 VanDerWaalsContact O-CG 3.31Å; L524-R528 WeakPolarHBondContact O-CG 3.28Å; L524-R528 PolarHBondContact O-N 2.98Å
525K90.9Very high87.1Confident139 Ų139102.7 Ų102.760%0.60449%0.492SS*.Hα-helixtrans-68.7-38175.8-71.7180178.3-170.10112.1K521 S522 K523 R528 K529K521-K525 WeakPolarHBondContact O-CG 3.43Å; K521-K525 PolarHBondContact O-N 2.8Å; S522-K525 WeakPolarHBondContact O-CB 3.41Å; S522-K525 PolarHBondContact O-N 3.01Å; K523-K525 VanDerWaalsContact C-N 3.3Å; K523-K525 PolarHBondContact O-N 3.01Å; K525-R528 PolarHBondContact O-N 3.45Å; K525-K529 WeakPolarHBondContact O-CG 3.49Å; K525-K529 PolarHBondContact O-N 3.47Å
526E93Very high88.3Confident105 Ų105108.9 Ų108.949%0.49151%0.507SS..Hα-helixtrans-63.7-45.6175-73.3168.6-169.800111.3S522 K523 R528 K529 Q530S522-E526 PolarHBondContact O-N 2.99Å; K523-E526 WeakPolarHBondContact O-CB 3.46Å; K523-E526 PolarHBondContact O-N 3.27Å; K523-E526 VanDerWaalsContact O-N 3.16Å; E526-R528 PolarHBondContact O-N 2.88Å; E526-K529 WeakPolarHBondContact O-CB 3.22Å; E526-K529 PolarHBondContact O-N 3.35Å; E526-K529 VanDerWaalsContact O-N 3.16Å; E526-Q530 WeakPolarHBondContact O-CG 3.15Å; E526-Q530 PolarHBondContact O-N 3.09Å
527F94Very high89.7Confident117 Ų117107.5 Ų107.551%0.51350%0.497SS..Hα-helixtrans-60.6-42.9175.7-66.5-43.6000112.3K523 K529 Q530 D531K523-F527 HydrophobicContact CB-CE2 4.2Å; K523-F527 WeakPolarHBondContact O-CD2 3.45Å; K523-F527 WeakPolarHBondContact O-CG 3.46Å; K523-F527 PolarHBondContact O-N 3.29Å; F527-K529 VanDerWaalsContact C-N 3.34Å; F527-K529 PolarHBondContact O-N 3Å; F527-Q530 PolarHBondContact O-N 3.41Å; F527-D531 PolarHBondContact O-N 3.25Å
528R95.2Very high90.7Very high155 Ų155110.7 Ų110.759%0.58550%0.497SS*.Hα-helixtrans-59.4-43.4174-72175.1-173.2-172.1-0.8112.3L524 K525 E526 D531 I532L524-R528 VanDerWaalsContact O-CG 3.31Å; L524-R528 WeakPolarHBondContact O-CG 3.28Å; L524-R528 PolarHBondContact O-N 2.98Å; K525-R528 PolarHBondContact O-N 3.45Å; E526-R528 PolarHBondContact O-N 2.88Å; R528-D531 PolarHBondContact O-N 3.39Å; R528-I532 WeakPolarHBondContact O-CD1 3.3Å; R528-I532 VanDerWaalsContact O-CG1 3.27Å; R528-I532 WeakPolarHBondContact O-CG1 3.4Å; R528-I532 PolarHBondContact O-N 3.15Å
529K95.4Very high91.7Very high155 Ų155112.8 Ų112.867%0.67450%0.501SS*.Hα-helixtrans-63.7-42176.3-74178.6178.2-172.80111.9K525 E526 F527 D531 I532 Q533K525-K529 WeakPolarHBondContact O-CG 3.49Å; K525-K529 PolarHBondContact O-N 3.47Å; E526-K529 WeakPolarHBondContact O-CB 3.22Å; E526-K529 PolarHBondContact O-N 3.35Å; E526-K529 VanDerWaalsContact O-N 3.16Å; F527-K529 VanDerWaalsContact C-N 3.34Å; F527-K529 PolarHBondContact O-N 3Å; K529-D531 VanDerWaalsContact C-N 3.34Å; K529-I532 PolarHBondContact O-N 3.11Å; K529-Q533 WeakPolarHBondContact O-CB 3.27Å; K529-Q533 PolarHBondContact O-N 3.28Å
530Q95.1Very high92.6Very high103 Ų103117.1 Ų117.148%0.48152%0.52SS..Hα-helixtrans-63.9-40.1176.8-71.8172.53.500111.4E526 F527 Q533 R534E526-Q530 WeakPolarHBondContact O-CG 3.15Å; E526-Q530 PolarHBondContact O-N 3.09Å; F527-Q530 PolarHBondContact O-N 3.41Å; Q530-Q533 PolarHBondContact O-N 2.83Å; Q530-R534 WeakPolarHBondContact O-CB 3.45Å; Q530-R534 WeakPolarHBondContact O-CG 3.21Å; Q530-R534 PolarHBondContact O-N 2.99Å
531D92.6Very high93.3Very high70 Ų70118.5 Ų118.537%0.37452%0.524SS..Hα-helixtrans-63.5-45175.4-78.5-4.8000112.3F527 R528 K529 Q533 R534 K535F527-D531 PolarHBondContact O-N 3.25Å; R528-D531 PolarHBondContact O-N 3.39Å; K529-D531 VanDerWaalsContact C-N 3.34Å; D531-Q533 VanDerWaalsContact C-N 3.3Å; D531-Q533 PolarHBondContact O-N 2.76Å; D531-R534 PolarHBondContact O-N 2.81Å; D531-R534 IonicContact OD1-CZ 2.78Å; D531-R534 IonicContact OD1-NE 2.63Å; D531-R534 IonicContact OD1-NH2 3.51Å; D531-R534 PolarHBondContact OD1-NH2 3.41Å; D531-K535 WeakPolarHBondContact O-CB 3.44Å; D531-K535 WeakPolarHBondContact O-CG 3.23Å; D531-K535 PolarHBondContact O-N 3.31Å
532I95.3Very high93.8Very high113 Ų113114.3 Ų114.358%0.57951%0.507SS*.Hα-helixtrans-60.8-43.3175.7-67.1164.1000110.3R528 K529 K535 R536R528-I532 WeakPolarHBondContact O-CD1 3.3Å; R528-I532 VanDerWaalsContact O-CG1 3.27Å; R528-I532 WeakPolarHBondContact O-CG1 3.4Å; R528-I532 PolarHBondContact O-N 3.15Å; K529-I532 PolarHBondContact O-N 3.11Å; I532-K535 PolarHBondContact O-N 3.38Å; I532-R536 PolarHBondContact O-N 3.09Å
533Q95.1Very high94.4Very high88 Ų88118.7 Ų118.741%0.41152%0.515SS..Hα-helixtrans-63.3-47.8178.3-177.361.620.600111.7K529 Q530 D531 K535 R536 E537K529-Q533 WeakPolarHBondContact O-CB 3.27Å; K529-Q533 PolarHBondContact O-N 3.28Å; Q530-Q533 PolarHBondContact O-N 2.83Å; D531-Q533 VanDerWaalsContact C-N 3.3Å; D531-Q533 PolarHBondContact O-N 2.76Å; Q533-K535 VanDerWaalsContact C-N 3.33Å; Q533-K535 PolarHBondContact O-N 2.97Å; Q533-R536 WeakPolarHBondContact O-CB 3.39Å; Q533-R536 PolarHBondContact O-N 3.07Å; Q533-R536 VanDerWaalsContact O-N 3.09Å; Q533-E537 WeakPolarHBondContact CG-OE1 3.34Å; Q533-E537 PolarHBondContact NE2-OE1 2.85Å; Q533-E537 WeakPolarHBondContact O-CG 3.3Å; Q533-E537 PolarHBondContact O-N 2.98Å
534R96.6Very high94.7Very high158 Ų158118.6 Ų118.660%0.59652%0.516SS*.Hα-helixtrans-59.3-42.6176.3-74.7-169.2-68.9177.9-3.6112.1Q530 D531 R536 E537 Y538Q530-R534 WeakPolarHBondContact O-CB 3.45Å; Q530-R534 WeakPolarHBondContact O-CG 3.21Å; Q530-R534 PolarHBondContact O-N 2.99Å; D531-R534 PolarHBondContact O-N 2.81Å; D531-R534 IonicContact OD1-CZ 2.78Å; D531-R534 IonicContact OD1-NE 2.63Å; D531-R534 IonicContact OD1-NH2 3.51Å; D531-R534 PolarHBondContact OD1-NH2 3.41Å; R534-R536 VanDerWaalsContact C-N 3.31Å; R534-R536 PolarHBondContact O-N 3.07Å; R534-E537 PolarHBondContact O-N 3.48Å; R534-Y538 WeakPolarHBondContact O-CB 3.48Å; R534-Y538 PolarHBondContact O-N 2.91Å
535K95.4Very high94.9Very high121 Ų121117.3 Ų117.353%0.52651%0.509SS..Hα-helixtrans-61.4-40.4175.1-75.6179.3179.9-175.30111.4D531 I532 Q533 R539D531-K535 WeakPolarHBondContact O-CB 3.44Å; D531-K535 WeakPolarHBondContact O-CG 3.23Å; D531-K535 PolarHBondContact O-N 3.31Å; I532-K535 PolarHBondContact O-N 3.38Å; Q533-K535 VanDerWaalsContact C-N 3.33Å; Q533-K535 PolarHBondContact O-N 2.97Å; K535-R539 VanDerWaalsContact O-CG 3.27Å; K535-R539 WeakPolarHBondContact O-CG 3.4Å; K535-R539 PolarHBondContact O-N 2.97Å
536R96.3Very high94.9Very high171 Ų171118.7 Ų118.765%0.64551%0.51SS*.Hα-helixtrans-65.9-46.5178-175179.6-178.4170.42.3111.9I532 Q533 R534 R539 Q540I532-R536 PolarHBondContact O-N 3.09Å; Q533-R536 WeakPolarHBondContact O-CB 3.39Å; Q533-R536 PolarHBondContact O-N 3.07Å; Q533-R536 VanDerWaalsContact O-N 3.09Å; R534-R536 VanDerWaalsContact C-N 3.31Å; R534-R536 PolarHBondContact O-N 3.07Å; R536-R539 PolarHBondContact O-N 2.95Å; R536-Q540 PolarHBondContact O-N 3.28Å
537E96.1Very high94.8Very high98 Ų98119 Ų11946%0.45851%0.511SS..Hα-helixtrans-59.9-47.3177-73167.9-173.300110.9Q533 R534 R539 Q540 E541Q533-E537 WeakPolarHBondContact CG-OE1 3.34Å; Q533-E537 PolarHBondContact NE2-OE1 2.85Å; Q533-E537 WeakPolarHBondContact O-CG 3.3Å; Q533-E537 PolarHBondContact O-N 2.98Å; R534-E537 PolarHBondContact O-N 3.48Å; E537-R539 PolarHBondContact O-N 3.25Å; E537-Q540 WeakPolarHBondContact O-CB 3.46Å; E537-Q540 PolarHBondContact O-N 2.93Å; E537-Q540 VanDerWaalsContact O-N 3.11Å; E537-E541 PolarHBondContact O-N 2.91Å
538Y96.2Very high94.6Very high148 Ų148119.8 Ų119.858%0.5851%0.511SS*.Hα-helixtrans-57.2-47.4175.5176.8-107.8000112.2R534 Q540 E541 I542R534-Y538 WeakPolarHBondContact O-CB 3.48Å; R534-Y538 PolarHBondContact O-N 2.91Å; Y538-Q540 VanDerWaalsContact C-N 3.28Å; Y538-Q540 PolarHBondContact O-N 2.99Å; Y538-E541 PolarHBondContact O-N 2.93Å; Y538-I542 HydrophobicContact CD1-CG1 4.4Å; Y538-I542 HydrophobicContact CD2-CG1 4.46Å; Y538-I542 HydrophobicContact CE1-CD1 4.49Å; Y538-I542 HydrophobicContact CE1-CG1 4Å; Y538-I542 HydrophobicContact CE2-CD1 3.9Å; Y538-I542 HydrophobicContact CE2-CG1 4.07Å; Y538-I542 WeakPolarHBondContact O-CG1 3.49Å; Y538-I542 PolarHBondContact O-N 3.39Å
539R95.9Very high94.3Very high133 Ų133117.6 Ų117.650%0.50252%0.515SS..Hα-helixtrans-61.4-37.7177-71.4176.4-159.9-172.42.6112.3K535 R536 E537 R543 E639K535-R539 VanDerWaalsContact O-CG 3.27Å; K535-R539 WeakPolarHBondContact O-CG 3.4Å; K535-R539 PolarHBondContact O-N 2.97Å; R536-R539 PolarHBondContact O-N 2.95Å; E537-R539 PolarHBondContact O-N 3.25Å; R539-R543 PolarHBondContact O-N 3.36Å; R539-R543 VanDerWaalsContact O-N 3.07Å; R539-E639 IonicContact CZ-OE1 2.85Å; R539-E639 VanDerWaalsContact CZ-OE1 3.22Å; R539-E639 IonicContact NH1-OE1 2.8Å; R539-E639 PolarHBondContact NH1-OE1 2.95Å; R539-E639 IonicContact NH2-OE1 2.69Å; R539-E639 PolarHBondContact NH2-OE1 3.13Å
540Q95.1Very high93.8Very high116 Ų116117.7 Ų117.754%0.54252%0.518SS..Hα-helixtrans-66.8-43.4177.1-175.3171.3-1.600111.1R536 E537 Y538 R543 E544R536-Q540 PolarHBondContact O-N 3.28Å; E537-Q540 WeakPolarHBondContact O-CB 3.46Å; E537-Q540 PolarHBondContact O-N 2.93Å; E537-Q540 VanDerWaalsContact O-N 3.11Å; Y538-Q540 VanDerWaalsContact C-N 3.28Å; Y538-Q540 PolarHBondContact O-N 2.99Å; Q540-R543 WeakPolarHBondContact O-CB 3.33Å; Q540-R543 PolarHBondContact O-N 2.91Å; Q540-R543 VanDerWaalsContact O-N 3.13Å; Q540-E544 PolarHBondContact O-N 3.39Å
541E96.1Very high93.3Very high110 Ų110115.9 Ų115.951%0.51453%0.527SS..Hα-helixtrans-62.3-43.4176.1-172.2-179.8-174.700111.8E537 Y538 R543 E544 M545E537-E541 PolarHBondContact O-N 2.91Å; Y538-E541 PolarHBondContact O-N 2.93Å; E541-R543 VanDerWaalsContact C-N 3.28Å; E541-R543 PolarHBondContact O-N 3Å; E541-E544 PolarHBondContact O-N 3.49Å; E541-M545 HydrophobicContact CG-CE 4.46Å; E541-M545 WeakPolarHBondContact O-CB 3.3Å; E541-M545 WeakPolarHBondContact O-CG 3.49Å; E541-M545 PolarHBondContact O-N 3.44Å
542I95.6Very high93Very high43 Ų43121 Ų12122%0.22154%0.541CS..Hα-helixtrans-58.4-41.7173-65.7-53.5000111Y538 M545 R546Y538-I542 HydrophobicContact CD1-CG1 4.4Å; Y538-I542 HydrophobicContact CD2-CG1 4.46Å; Y538-I542 HydrophobicContact CE1-CD1 4.49Å; Y538-I542 HydrophobicContact CE1-CG1 4Å; Y538-I542 HydrophobicContact CE2-CD1 3.9Å; Y538-I542 HydrophobicContact CE2-CG1 4.07Å; Y538-I542 WeakPolarHBondContact O-CG1 3.49Å; Y538-I542 PolarHBondContact O-N 3.39Å; I542-M545 HydrophobicContact CD1-CE 3.32Å; I542-M545 HydrophobicContact CG1-CE 4.39Å; I542-M545 PolarHBondContact O-N 2.96Å; I542-R546 VanDerWaalsContact O-CG 3.3Å; I542-R546 WeakPolarHBondContact O-CG 3.46Å; I542-R546 PolarHBondContact O-N 3.2Å
543R95.6Very high92.5Very high148 Ų148118 Ų11856%0.55853%0.529SS*.Hα-helixtrans-65.8-47.3178.7-169.6-173.8-59.31432.6111.4R539 Q540 E541 M545 R546 E547R539-R543 PolarHBondContact O-N 3.36Å; R539-R543 VanDerWaalsContact O-N 3.07Å; Q540-R543 WeakPolarHBondContact O-CB 3.33Å; Q540-R543 PolarHBondContact O-N 2.91Å; Q540-R543 VanDerWaalsContact O-N 3.13Å; E541-R543 VanDerWaalsContact C-N 3.28Å; E541-R543 PolarHBondContact O-N 3Å; R543-M545 VanDerWaalsContact C-N 3.31Å; R543-M545 PolarHBondContact O-N 3.14Å; R543-R546 WeakPolarHBondContact O-CB 3.47Å; R543-R546 PolarHBondContact O-N 3.33Å; R543-R546 VanDerWaalsContact O-N 3.07Å; R543-E547 WeakPolarHBondContact CG-OE1 3.39Å; R543-E547 WeakPolarHBondContact O-CG 3.4Å; R543-E547 PolarHBondContact O-N 3.23Å
544E95.6Very high92.2Very high104 Ų104120 Ų12049%0.48654%0.541SS..Hα-helixtrans-61.1-40.8177.3-170.2-169.2149.400111.3Q540 E541 R546 E547 R548Q540-E544 PolarHBondContact O-N 3.39Å; E541-E544 PolarHBondContact O-N 3.49Å; E544-R546 VanDerWaalsContact C-N 3.33Å; E544-R546 PolarHBondContact O-N 3.4Å; E544-E547 PolarHBondContact O-N 3.16Å; E544-R548 WeakPolarHBondContact O-CB 3.49Å; E544-R548 WeakPolarHBondContact O-CG 3.33Å; E544-R548 PolarHBondContact O-N 2.92Å
545M91.6Very high91.8Very high69 Ų69118.8 Ų118.834%0.3455%0.546SS..Hα-helixtrans-59-44.2172.7-77.6-165.8-6600112E541 I542 R543 R548 V549E541-M545 HydrophobicContact CG-CE 4.46Å; E541-M545 WeakPolarHBondContact O-CB 3.3Å; E541-M545 WeakPolarHBondContact O-CG 3.49Å; E541-M545 PolarHBondContact O-N 3.44Å; I542-M545 HydrophobicContact CD1-CE 3.32Å; I542-M545 HydrophobicContact CG1-CE 4.39Å; I542-M545 PolarHBondContact O-N 2.96Å; R543-M545 VanDerWaalsContact C-N 3.31Å; R543-M545 PolarHBondContact O-N 3.14Å; M545-R548 PolarHBondContact O-N 2.86Å; M545-V549 VanDerWaalsContact O-CG2 3.26Å; M545-V549 WeakPolarHBondContact O-CG2 3.4Å; M545-V549 PolarHBondContact O-N 3.32Å
546R91.2Very high91.6Very high167 Ų167119.5 Ų119.563%0.6356%0.555SS**Hα-helixtrans-64-43.9177.2-72.3173.2-177.9-167.31.2111.6I542 R543 E544 V549 Q550I542-R546 VanDerWaalsContact O-CG 3.3Å; I542-R546 WeakPolarHBondContact O-CG 3.46Å; I542-R546 PolarHBondContact O-N 3.2Å; R543-R546 WeakPolarHBondContact O-CB 3.47Å; R543-R546 PolarHBondContact O-N 3.33Å; R543-R546 VanDerWaalsContact O-N 3.07Å; E544-R546 VanDerWaalsContact C-N 3.33Å; E544-R546 PolarHBondContact O-N 3.4Å; R546-V549 PolarHBondContact O-N 2.91Å; R546-Q550 WeakPolarHBondContact O-CB 3.42Å; R546-Q550 VanDerWaalsContact O-CG 3.3Å; R546-Q550 WeakPolarHBondContact O-CG 3.36Å; R546-Q550 PolarHBondContact O-N 3.18Å
547E91.1Very high91.3Very high112 Ų112115.5 Ų115.552%0.52354%0.543SS..Hα-helixtrans-62.4-43.1176.6-73170.6-16800111.5R543 E544 V549 Q550 G551R543-E547 WeakPolarHBondContact CG-OE1 3.39Å; R543-E547 WeakPolarHBondContact O-CG 3.4Å; R543-E547 PolarHBondContact O-N 3.23Å; E544-E547 PolarHBondContact O-N 3.16Å; E547-V549 VanDerWaalsContact C-N 3.28Å; E547-V549 PolarHBondContact O-N 3.47Å; E547-Q550 PolarHBondContact O-N 2.99Å; E547-G551 PolarHBondContact O-N 2.91Å
548R90Very high91Very high133 Ų133114.5 Ų114.550%0.50254%0.539SS..Hα-helixtrans-62.1-34.3174.4-74.2-168.6-65.3134-8.7113E544 M545 R552E544-R548 WeakPolarHBondContact O-CB 3.49Å; E544-R548 WeakPolarHBondContact O-CG 3.33Å; E544-R548 PolarHBondContact O-N 2.92Å; M545-R548 PolarHBondContact O-N 2.86Å; R548-R552 WeakPolarHBondContact O-CD 3.3Å; R548-R552 WeakPolarHBondContact O-CG 3.32Å
549V88.8Confident90.9Very high109 Ų109110.6 Ų110.666%0.66153%0.53SS*.Hα-helixtrans-74.7-40.9176171.20000110.7M545 R546 E547M545-V549 VanDerWaalsContact O-CG2 3.26Å; M545-V549 WeakPolarHBondContact O-CG2 3.4Å; M545-V549 PolarHBondContact O-N 3.32Å; R546-V549 PolarHBondContact O-N 2.91Å; E547-V549 VanDerWaalsContact C-N 3.28Å; E547-V549 PolarHBondContact O-N 3.47Å
550Q85.5Confident90.7Very high158 Ų158107.9 Ų107.974%0.73853%0.528SS*.Hα-helixtrans-69.8-37.2178.9-73.7178.5-0.500113.1R546 E547 R552R546-Q550 WeakPolarHBondContact O-CB 3.42Å; R546-Q550 VanDerWaalsContact O-CG 3.3Å; R546-Q550 WeakPolarHBondContact O-CG 3.36Å; R546-Q550 PolarHBondContact O-N 3.18Å; E547-Q550 PolarHBondContact O-N 2.99Å; Q550-R552 PolarHBondContact O-N 3.44Å
551G83.3Confident90.5Very high65 Ų65107.3 Ų107.367%0.6753%0.526SS*.THydrogen-bonded Turntrans-74.3-6.9179.300000114.7E547 P553E547-G551 PolarHBondContact O-N 2.91Å; G551-P553 WeakPolarHBondContact O-CD 3.49Å
552R86.3Confident90.4Very high178 Ų178108.7 Ų108.767%0.67253%0.53SS*.SBendtrans-90.1112.7175.3-75.2174.5179.6-166.3-1109R548 Q550 L554R548-R552 WeakPolarHBondContact O-CD 3.3Å; R548-R552 WeakPolarHBondContact O-CG 3.32Å; Q550-R552 PolarHBondContact O-N 3.44Å; R552-L554 PolarHBondContact O-N 3.05Å
553P85.3Confident90.3Very high50 Ų50111 Ų11133%0.32554%0.543SS..  trans-62.6135.3178.124.7-31.9000109.5G551 E557 Q558G551-P553 WeakPolarHBondContact O-CD 3.49Å; P553-E557 HydrophobicContact CB-CB 4.46Å; P553-E557 HydrophobicContact CB-CG 4.47Å; P553-Q558 HydrophobicContact CB-CG 3.95Å; P553-Q558 HydrophobicContact CG-CG 3.83Å; P553-Q558 PolarHBondContact O-NE2 2.9Å
554L88.1Confident90.1Very high128 Ų128106.8 Ų106.867%0.6754%0.54SS*.  trans-60.7152.3179.2-68.9164.3000109.9R552 L556 E557 Q558R552-L554 PolarHBondContact O-N 3.05Å; L554-L556 PolarHBondContact O-N 3.24Å; L554-L556 VanDerWaalsContact O-N 3.17Å; L554-E557 HydrophobicContact CB-CB 4.21Å; L554-E557 CarbonylContact O-C 3.58Å; L554-E557 WeakPolarHBondContact O-CA 3.42Å; L554-E557 WeakPolarHBondContact O-CB 3.43Å; L554-E557 PolarHBondContact O-N 3.16Å; L554-Q558 WeakPolarHBondContact O-CG 3.4Å; L554-Q558 PolarHBondContact O-N 2.96Å
555L89.5Confident90.1Very high134 Ų134108.3 Ų108.370%0.70255%0.545SS*.Hα-helixtrans-55.3-39.4179.7-17467.9000111.9Q558 V559L555-Q558 PolarHBondContact O-N 3.12Å; L555-V559 VanDerWaalsContact O-CG2 3.3Å; L555-V559 WeakPolarHBondContact O-CG2 3.41Å; L555-V559 PolarHBondContact O-N 2.97Å
556L91.4Very high90.1Very high135 Ų135109.9 Ų109.971%0.70755%0.551SS**Hα-helixtrans-62.6-42.5175-176.862.8000111.8L554 V559 T560L554-L556 PolarHBondContact O-N 3.24Å; L554-L556 VanDerWaalsContact O-N 3.17Å; L556-V559 PolarHBondContact O-N 3.19Å; L556-T560 WeakPolarHBondContact O-CG2 3.47Å; L556-T560 PolarHBondContact O-N 2.76Å; L556-T560 PolarHBondContact O-OG1 3.5Å
557E89.2Confident90.3Very high88 Ų88104.7 Ų104.741%0.41154%0.544SS..Hα-helixtrans-66.7-39177.3-167.5-173.1169.500111.9P553 L554 V559 T560 Q561P553-E557 HydrophobicContact CB-CB 4.46Å; P553-E557 HydrophobicContact CB-CG 4.47Å; L554-E557 HydrophobicContact CB-CB 4.21Å; L554-E557 CarbonylContact O-C 3.58Å; L554-E557 WeakPolarHBondContact O-CA 3.42Å; L554-E557 WeakPolarHBondContact O-CB 3.43Å; L554-E557 PolarHBondContact O-N 3.16Å; E557-V559 VanDerWaalsContact C-N 3.32Å; E557-V559 PolarHBondContact O-N 3.32Å; E557-T560 WeakPolarHBondContact CA-OG1 3.36Å; E557-T560 PolarHBondContact O-N 3.3Å; E557-T560 PolarHBondContact O-OG1 2.84Å; E557-Q561 WeakPolarHBondContact O-CB 3.49Å; E557-Q561 VanDerWaalsContact O-CG 3.24Å; E557-Q561 WeakPolarHBondContact O-CG 3.46Å; E557-Q561 PolarHBondContact O-N 3.35Å; E557-Q561 PolarHBondContact OE1-NE2 3.37Å
558Q89.8Confident90.3Very high76 Ų76102.3 Ų102.336%0.35554%0.544SS..Hα-helixtrans-63.3-40174-66.2178.812.900111.7P553 L554 L555 K562P553-Q558 HydrophobicContact CB-CG 3.95Å; P553-Q558 HydrophobicContact CG-CG 3.83Å; P553-Q558 PolarHBondContact O-NE2 2.9Å; L554-Q558 WeakPolarHBondContact O-CG 3.4Å; L554-Q558 PolarHBondContact O-N 2.96Å; L555-Q558 PolarHBondContact O-N 3.12Å; Q558-K562 WeakPolarHBondContact O-CB 3.37Å; Q558-K562 WeakPolarHBondContact O-CG 3.23Å; Q558-K562 PolarHBondContact O-N 3.13Å
559V93.3Very high90.4Very high67 Ų67100.2 Ų100.241%0.40654%0.54SS..Hα-helixtrans-67.5-42.7176.8171.30000110.7L555 L556 E557 K562 N563L555-V559 VanDerWaalsContact O-CG2 3.3Å; L555-V559 WeakPolarHBondContact O-CG2 3.41Å; L555-V559 PolarHBondContact O-N 2.97Å; L556-V559 PolarHBondContact O-N 3.19Å; E557-V559 VanDerWaalsContact C-N 3.32Å; E557-V559 PolarHBondContact O-N 3.32Å; V559-K562 PolarHBondContact O-N 2.93Å; V559-N563 WeakPolarHBondContact O-CB 3.3Å; V559-N563 PolarHBondContact O-N 3.33Å; V559-N563 PolarHBondContact O-ND2 2.94Å
560T93.3Very high90.5Very high75 Ų75101.3 Ų101.346%0.4654%0.536SS..Hα-helixtrans-65.1-41.6176.356.60000111.8L556 E557 N563 A564L556-T560 WeakPolarHBondContact O-CG2 3.47Å; L556-T560 PolarHBondContact O-N 2.76Å; L556-T560 PolarHBondContact O-OG1 3.5Å; E557-T560 WeakPolarHBondContact CA-OG1 3.36Å; E557-T560 PolarHBondContact O-N 3.3Å; E557-T560 PolarHBondContact O-OG1 2.84Å; T560-N563 PolarHBondContact O-N 3.34Å; T560-A564 VanDerWaalsContact O-CB 3.28Å; T560-A564 WeakPolarHBondContact O-CB 3.47Å; T560-A564 PolarHBondContact O-N 3.48Å
561Q90.7Very high90.8Very high104 Ų10499.7 Ų99.749%0.48653%0.528SS..Hα-helixtrans-61-45.5174.5-74176.610.700112E557 A564 K565E557-Q561 WeakPolarHBondContact O-CB 3.49Å; E557-Q561 VanDerWaalsContact O-CG 3.24Å; E557-Q561 WeakPolarHBondContact O-CG 3.46Å; E557-Q561 PolarHBondContact O-N 3.35Å; E557-Q561 PolarHBondContact OE1-NE2 3.37Å; Q561-A564 PolarHBondContact O-N 2.94Å; Q561-K565 WeakPolarHBondContact O-CB 3.47Å; Q561-K565 PolarHBondContact O-N 3.46Å
562K92.6Very high91.1Very high139 Ų139101.1 Ų101.160%0.60451%0.513SS*.Hα-helixtrans-62.8-44.3176.1-77.1-179.6178.7179.40112.1Q558 V559 K565 Q566Q558-K562 WeakPolarHBondContact O-CB 3.37Å; Q558-K562 WeakPolarHBondContact O-CG 3.23Å; Q558-K562 PolarHBondContact O-N 3.13Å; V559-K562 PolarHBondContact O-N 2.93Å; K562-K565 PolarHBondContact O-N 2.72Å; K562-Q566 WeakPolarHBondContact O-CB 3.35Å; K562-Q566 WeakPolarHBondContact O-CG 3.48Å; K562-Q566 PolarHBondContact O-N 3Å
563N94.1Very high91.2Very high91 Ų9196.3 Ų96.349%0.48750%0.5SS..Hα-helixtrans-64.5-42.1177.8-72.4-11.2000111.7V559 T560 Q566 A567V559-N563 WeakPolarHBondContact O-CB 3.3Å; V559-N563 PolarHBondContact O-N 3.33Å; V559-N563 PolarHBondContact O-ND2 2.94Å; T560-N563 PolarHBondContact O-N 3.34Å; N563-Q566 PolarHBondContact O-N 3.12Å; N563-A567 WeakPolarHBondContact O-CB 3.46Å; N563-A567 PolarHBondContact O-N 3.07Å
564A92.5Very high91.4Very high61 Ų6199.7 Ų99.750%0.50451%0.512SS..Hα-helixtrans-63.7-42.7175.800000111.7T560 Q561 A567 A568T560-A564 VanDerWaalsContact O-CB 3.28Å; T560-A564 WeakPolarHBondContact O-CB 3.47Å; T560-A564 PolarHBondContact O-N 3.48Å; Q561-A564 PolarHBondContact O-N 2.94Å; A564-A567 PolarHBondContact O-N 2.97Å; A564-A568 WeakPolarHBondContact O-CB 3.41Å; A564-A568 PolarHBondContact O-N 3.39Å
565K93.9Very high91.5Very high135 Ų13596.4 Ų96.459%0.58750%0.497SS*.Hα-helixtrans-60.1-48.3174.7-170.7-173.8-175.5-1540111.4Q561 K562 A567 A568 E569Q561-K565 WeakPolarHBondContact O-CB 3.47Å; Q561-K565 PolarHBondContact O-N 3.46Å; K562-K565 PolarHBondContact O-N 2.72Å; K565-A567 VanDerWaalsContact C-N 3.32Å; K565-A567 PolarHBondContact O-N 3.35Å; K565-A568 PolarHBondContact O-N 3.05Å; K565-E569 WeakPolarHBondContact CE-OE1 3.49Å; K565-E569 IonicContact NZ-OE1 2.83Å; K565-E569 PolarHBondContact NZ-OE1 2.87Å; K565-E569 WeakPolarHBondContact O-CB 3.23Å; K565-E569 WeakPolarHBondContact O-CG 3.49Å; K565-E569 PolarHBondContact O-N 2.87Å
566Q92.9Very high91.4Very high103 Ų10391 Ų9148%0.48147%0.469SS..Hα-helixtrans-62.8-38177.1-73.3178.70.600112.2K562 N563 E569 K570K562-Q566 WeakPolarHBondContact O-CB 3.35Å; K562-Q566 WeakPolarHBondContact O-CG 3.48Å; K562-Q566 PolarHBondContact O-N 3Å; N563-Q566 PolarHBondContact O-N 3.12Å; Q566-E569 PolarHBondContact O-N 3.4Å; Q566-K570 WeakPolarHBondContact O-CB 3.29Å; Q566-K570 VanDerWaalsContact O-CG 3.24Å; Q566-K570 WeakPolarHBondContact O-CG 3.5Å; Q566-K570 PolarHBondContact O-N 3.26Å
567A93.9Very high91Very high57 Ų5791.5 Ų91.547%0.47147%0.468SS..Hα-helixtrans-65.4-41.5175.400000111.8N563 A564 K565 K570 H571N563-A567 WeakPolarHBondContact O-CB 3.46Å; N563-A567 PolarHBondContact O-N 3.07Å; A564-A567 PolarHBondContact O-N 2.97Å; K565-A567 VanDerWaalsContact C-N 3.32Å; K565-A567 PolarHBondContact O-N 3.35Å; A567-K570 PolarHBondContact O-N 3.01Å; A567-H571 WeakPolarHBondContact O-CB 3.21Å; A567-H571 PolarHBondContact O-N 3.23Å
568A91.7Very high90.8Very high63 Ų6390.6 Ų90.652%0.52148%0.482SS..Hα-helixtrans-66.7-41.4175.300000112.3A564 K565 H571 Y572A564-A568 WeakPolarHBondContact O-CB 3.41Å; A564-A568 PolarHBondContact O-N 3.39Å; K565-A568 PolarHBondContact O-N 3.05Å; A568-H571 PolarHBondContact O-N 3.21Å; A568-Y572 WeakPolarHBondContact O-CB 3.38Å; A568-Y572 PolarHBondContact O-N 2.84Å
569E91.6Very high90.5Very high89 Ų8990.9 Ų90.942%0.41649%0.492SS..Hα-helixtrans-61.9-44.5174.2-75.7171.6-177.200111.2K565 Q566 Y572 I573K565-E569 WeakPolarHBondContact CE-OE1 3.49Å; K565-E569 IonicContact NZ-OE1 2.83Å; K565-E569 PolarHBondContact NZ-OE1 2.87Å; K565-E569 WeakPolarHBondContact O-CB 3.23Å; K565-E569 WeakPolarHBondContact O-CG 3.49Å; K565-E569 PolarHBondContact O-N 2.87Å; Q566-E569 PolarHBondContact O-N 3.4Å; E569-Y572 WeakPolarHBondContact O-CB 3.29Å; E569-Y572 PolarHBondContact O-N 3.26Å; E569-I573 VanDerWaalsContact O-CG1 3.28Å; E569-I573 WeakPolarHBondContact O-CG1 3.34Å; E569-I573 PolarHBondContact O-N 2.89Å
570K92Very high89.8Confident132 Ų13296.6 Ų96.657%0.57451%0.514SS*.Hα-helixtrans-59.8-49.1174.1-76.6177.1179.7-172.90111.7Q566 A567 Y572 I573 E574Q566-K570 WeakPolarHBondContact O-CB 3.29Å; Q566-K570 VanDerWaalsContact O-CG 3.24Å; Q566-K570 WeakPolarHBondContact O-CG 3.5Å; Q566-K570 PolarHBondContact O-N 3.26Å; A567-K570 PolarHBondContact O-N 3.01Å; K570-Y572 VanDerWaalsContact C-N 3.3Å; K570-Y572 PolarHBondContact O-N 2.96Å; K570-I573 PolarHBondContact O-N 2.85Å; K570-E574 WeakPolarHBondContact O-CB 3.11Å; K570-E574 VanDerWaalsContact O-CG 3.31Å; K570-E574 WeakPolarHBondContact O-CG 3.23Å; K570-E574 PolarHBondContact O-N 2.91Å
571H90.4Very high89.1Confident123 Ų12395.3 Ų95.357%0.56951%0.506SS*.Hα-helixtrans-60.2-41.3177.3-175-80.7000111.4A567 A568 E574 T575A567-H571 WeakPolarHBondContact O-CB 3.21Å; A567-H571 PolarHBondContact O-N 3.23Å; A568-H571 PolarHBondContact O-N 3.21Å; H571-E574 PolarHBondContact O-N 3.2Å; H571-T575 WeakPolarHBondContact O-CB 3.33Å; H571-T575 VanDerWaalsContact O-CG2 3.25Å; H571-T575 WeakPolarHBondContact O-CG2 3.47Å; H571-T575 PolarHBondContact O-N 2.91Å; H571-T575 PolarHBondContact O-OG1 3.49Å; H571-T575 VanDerWaalsContact O-OG1 3.1Å
572Y90.2Very high88.6Confident95 Ų9594.7 Ų94.737%0.37351%0.51SS..Hα-helixtrans-58.8-51.1174.4175.7-108.6000111.2A568 E569 K570 E574 T575 L576A568-Y572 WeakPolarHBondContact O-CB 3.38Å; A568-Y572 PolarHBondContact O-N 2.84Å; E569-Y572 WeakPolarHBondContact O-CB 3.29Å; E569-Y572 PolarHBondContact O-N 3.26Å; K570-Y572 VanDerWaalsContact C-N 3.3Å; K570-Y572 PolarHBondContact O-N 2.96Å; Y572-E574 PolarHBondContact O-N 3.38Å; Y572-T575 WeakPolarHBondContact CA-OG1 3.25Å; Y572-T575 PolarHBondContact O-N 2.98Å; Y572-T575 PolarHBondContact O-OG1 3.38Å; Y572-L576 HydrophobicContact CD1-CD1 4.15Å; Y572-L576 HydrophobicContact CE1-CD1 3.51Å; Y572-L576 HydrophobicContact CE1-CG 4.21Å; Y572-L576 HydrophobicContact CE2-CD1 4.22Å; Y572-L576 HydrophobicContact CE2-CD2 4.19Å; Y572-L576 HydrophobicContact CE2-CG 4.17Å; Y572-L576 WeakPolarHBondContact O-CG 3.4Å; Y572-L576 PolarHBondContact O-N 3.28Å
573I89.2Confident87.9Confident78 Ų7893.8 Ų93.840%0.451%0.508SS..Hα-helixtrans-61-45.2178.6-66.6163.9000111.2E569 K570 T575 L576 Q577E569-I573 VanDerWaalsContact O-CG1 3.28Å; E569-I573 WeakPolarHBondContact O-CG1 3.34Å; E569-I573 PolarHBondContact O-N 2.89Å; K570-I573 PolarHBondContact O-N 2.85Å; I573-T575 VanDerWaalsContact C-N 3.33Å; I573-T575 PolarHBondContact O-N 2.99Å; I573-L576 PolarHBondContact O-N 3.44Å; I573-Q577 HydrophobicContact CG2-CG 4.36Å; I573-Q577 WeakPolarHBondContact O-CB 3.38Å; I573-Q577 WeakPolarHBondContact O-CG 3.49Å; I573-Q577 PolarHBondContact O-N 3.05Å
574E89.3Confident87.1Confident121 Ų12195.4 Ų95.457%0.56552%0.516SS*.Hα-helixtrans-60.5-41.9177.1-74.7170-166.100111.5K570 H571 Y572 Q577 G578K570-E574 WeakPolarHBondContact O-CB 3.11Å; K570-E574 VanDerWaalsContact O-CG 3.31Å; K570-E574 WeakPolarHBondContact O-CG 3.23Å; K570-E574 PolarHBondContact O-N 2.91Å; H571-E574 PolarHBondContact O-N 3.2Å; Y572-E574 PolarHBondContact O-N 3.38Å; E574-Q577 PolarHBondContact O-N 3.01Å; E574-G578 PolarHBondContact O-N 3.23Å
575T89.4Confident86.4Confident59 Ų5997.2 Ų97.236%0.36251%0.513SS..Hα-helixtrans-67.4-35.8175.856.90000113.2H571 Y572 I573 S579H571-T575 WeakPolarHBondContact O-CB 3.33Å; H571-T575 VanDerWaalsContact O-CG2 3.25Å; H571-T575 WeakPolarHBondContact O-CG2 3.47Å; H571-T575 PolarHBondContact O-N 2.91Å; H571-T575 PolarHBondContact O-OG1 3.49Å; H571-T575 VanDerWaalsContact O-OG1 3.1Å; Y572-T575 WeakPolarHBondContact CA-OG1 3.25Å; Y572-T575 PolarHBondContact O-N 2.98Å; Y572-T575 PolarHBondContact O-OG1 3.38Å; I573-T575 VanDerWaalsContact C-N 3.33Å; I573-T575 PolarHBondContact O-N 2.99Å; T575-S579 WeakPolarHBondContact O-CB 3.32Å; T575-S579 PolarHBondContact O-N 2.88Å; T575-S579 VanDerWaalsContact O-N 3.08Å; T575-S579 PolarHBondContact O-OG 3.39Å
576L87.2Confident85.6Confident21 Ų2193.7 Ų93.711%0.1150%0.5CS..Hα-helixtrans-65.9-45.2173.7-72-168.6000111.6Y572 I573 S579 E580 V581 E583 I586Y572-L576 HydrophobicContact CD1-CD1 4.15Å; Y572-L576 HydrophobicContact CE1-CD1 3.51Å; Y572-L576 HydrophobicContact CE1-CG 4.21Å; Y572-L576 HydrophobicContact CE2-CD1 4.22Å; Y572-L576 HydrophobicContact CE2-CD2 4.19Å; Y572-L576 HydrophobicContact CE2-CG 4.17Å; Y572-L576 WeakPolarHBondContact O-CG 3.4Å; Y572-L576 PolarHBondContact O-N 3.28Å; I573-L576 PolarHBondContact O-N 3.44Å; L576-S579 CarbonylContact O-C 3.59Å; L576-S579 PolarHBondContact O-N 3.15Å; L576-E580 PolarHBondContact O-N 3.44Å; L576-E580 VanDerWaalsContact O-N 3.12Å; L576-V581 PolarHBondContact O-N 2.87Å; L576-V581 VanDerWaalsContact O-N 3.14Å; L576-E583 HydrophobicContact CD1-CB 4.11Å; L576-I586 HydrophobicContact CD1-CD1 4.48Å; L576-I586 HydrophobicContact CD2-CD1 3.24Å; L576-I586 HydrophobicContact CG-CD1 4.49Å
577Q84.3Confident84.8Confident145 Ų14592.2 Ų92.268%0.67850%0.501SS*.Hα-helixtrans-63.1-44.3176.9-72.8178.4-1.700111.7I573 E574 S579 E580I573-Q577 HydrophobicContact CG2-CG 4.36Å; I573-Q577 WeakPolarHBondContact O-CB 3.38Å; I573-Q577 WeakPolarHBondContact O-CG 3.49Å; I573-Q577 PolarHBondContact O-N 3.05Å; E574-Q577 PolarHBondContact O-N 3.01Å; Q577-S579 PolarHBondContact O-N 2.92Å; Q577-E580 PolarHBondContact O-N 3.27Å
578G84.9Confident83.9Confident69 Ų6993.1 Ų93.171%0.71150%0.504SS*.Hα-helixtrans-68.1-20.817700000114.4E574E574-G578 PolarHBondContact O-N 3.23Å
579S83.2Confident82.8Confident82 Ų8296.9 Ų96.957%0.57351%0.509SS*.THydrogen-bonded Turntrans-96.90.6175.5-51.80000113.2T575 L576 Q577 V581T575-S579 WeakPolarHBondContact O-CB 3.32Å; T575-S579 PolarHBondContact O-N 2.88Å; T575-S579 VanDerWaalsContact O-N 3.08Å; T575-S579 PolarHBondContact O-OG 3.39Å; L576-S579 CarbonylContact O-C 3.59Å; L576-S579 PolarHBondContact O-N 3.15Å; Q577-S579 PolarHBondContact O-N 2.92Å; S579-V581 WeakPolarHBondContact O-CG2 3.36Å; S579-V581 PolarHBondContact O-N 3.38Å
580E79Confident81.6Confident186 Ų18695.1 Ų95.187%0.86951%0.51SS*.THydrogen-bonded Turntrans54.229.4-175.7-59.4-176173.300114.6L576 Q577L576-E580 PolarHBondContact O-N 3.44Å; L576-E580 VanDerWaalsContact O-N 3.12Å; Q577-E580 PolarHBondContact O-N 3.27Å
581V78.1Confident79.9Confident48 Ų4891.5 Ų91.529%0.29151%0.51SS..  trans-110.8127179.3-175.70000109.9L576 S579 F585 I586L576-V581 PolarHBondContact O-N 2.87Å; L576-V581 VanDerWaalsContact O-N 3.14Å; S579-V581 WeakPolarHBondContact O-CG2 3.36Å; S579-V581 PolarHBondContact O-N 3.38Å; V581-F585 HydrophobicContact CG1-CB 4.19Å; V581-F585 HydrophobicContact CG1-CD1 3.44Å; V581-F585 VanDerWaalsContact CG1-CD1 3.44Å; V581-F585 HydrophobicContact CG1-CE1 4.17Å; V581-F585 HydrophobicContact CG1-CG 4.19Å; V581-I586 HydrophobicContact CG1-CD1 3.93Å; V581-I586 HydrophobicContact CG1-CG1 3.66Å
582T80.8Confident78.4Confident92 Ų9294.8 Ų94.856%0.56452%0.522SS*.  trans-80.3147.8177.255.80000112D584 F585 I586T582-D584 PolarHBondContact O-N 3.17Å; T582-F585 WeakPolarHBondContact O-CA 3.48Å; T582-F585 VanDerWaalsContact O-CB 3.32Å; T582-F585 WeakPolarHBondContact O-CB 3.37Å; T582-F585 PolarHBondContact O-N 2.67Å; T582-F585 WeakPolarHBondContact OG1-CB 3.48Å; T582-F585 PolarHBondContact OG1-N 2.94Å; T582-I586 PolarHBondContact O-N 3.38Å
583E76.7Confident76.7Confident119 Ų11995.6 Ų95.656%0.55654%0.542SS*.Hα-helixtrans-57.1-36.4176.8-169.8175.1-175.300111.9L576 F585 I586 S587L576-E583 HydrophobicContact CD1-CB 4.11Å; E583-F585 VanDerWaalsContact C-N 3.31Å; E583-F585 PolarHBondContact O-N 2.8Å; E583-I586 PolarHBondContact O-N 3.33Å; E583-S587 PolarHBondContact O-N 3.37Å; E583-S587 PolarHBondContact O-OG 3.29Å; E583-S587 VanDerWaalsContact O-OG 3.09Å
584D77.1Confident74.9Confident125 Ų12595.7 Ų95.767%0.66855%0.554SS**Hα-helixtrans-63.7-32.7173.8-63.7-28000113.1T582 S587 S588T582-D584 PolarHBondContact O-N 3.17Å; D584-S587 WeakPolarHBondContact CA-OG 3.41Å; D584-S587 PolarHBondContact O-OG 3.17Å; D584-S588 VanDerWaalsContact O-CB 3.23Å; D584-S588 WeakPolarHBondContact O-CB 3.49Å; D584-S588 PolarHBondContact O-N 2.83Å; D584-S588 VanDerWaalsContact O-N 3.1Å; D584-S588 PolarHBondContact O-OG 3.47Å
585F78.1Confident73Confident99 Ų9993.8 Ų93.843%0.43455%0.554SS.*Hα-helixtrans-71.6-36.9176-179.5-94.1000111.7V581 T582 E583 S588 K589V581-F585 HydrophobicContact CG1-CB 4.19Å; V581-F585 HydrophobicContact CG1-CD1 3.44Å; V581-F585 VanDerWaalsContact CG1-CD1 3.44Å; V581-F585 HydrophobicContact CG1-CE1 4.17Å; V581-F585 HydrophobicContact CG1-CG 4.19Å; T582-F585 WeakPolarHBondContact O-CA 3.48Å; T582-F585 VanDerWaalsContact O-CB 3.32Å; T582-F585 WeakPolarHBondContact O-CB 3.37Å; T582-F585 PolarHBondContact O-N 2.67Å; T582-F585 WeakPolarHBondContact OG1-CB 3.48Å; T582-F585 PolarHBondContact OG1-N 2.94Å; E583-F585 VanDerWaalsContact C-N 3.31Å; E583-F585 PolarHBondContact O-N 2.8Å; F585-S588 WeakPolarHBondContact CA-OG 3.42Å; F585-S588 PolarHBondContact O-OG 2.93Å; F585-S588 VanDerWaalsContact O-OG 3.08Å; F585-K589 HydrophobicContact CE1-CD 3.99Å; F585-K589 HydrophobicContact CZ-CD 4.04Å; F585-K589 WeakPolarHBondContact O-CB 3.48Å; F585-K589 PolarHBondContact O-N 3Å
586I77.8Confident70.9Confident61 Ų61100.1 Ų100.131%0.31358%0.58SS.*Hα-helixtrans-73-46177.7-64.1172.3000110.6L576 V581 T582 E583 S588 K589 A590L576-I586 HydrophobicContact CD1-CD1 4.48Å; L576-I586 HydrophobicContact CD2-CD1 3.24Å; L576-I586 HydrophobicContact CG-CD1 4.49Å; V581-I586 HydrophobicContact CG1-CD1 3.93Å; V581-I586 HydrophobicContact CG1-CG1 3.66Å; T582-I586 PolarHBondContact O-N 3.38Å; E583-I586 PolarHBondContact O-N 3.33Å; I586-S588 VanDerWaalsContact C-N 3.33Å; I586-S588 PolarHBondContact O-N 3.13Å; I586-K589 PolarHBondContact O-N 3.12Å; I586-A590 WeakPolarHBondContact O-CB 3.4Å; I586-A590 PolarHBondContact O-N 2.82Å
587S76.5Confident68.9Low73 Ų73110.2 Ų110.251%0.5162%0.617SS.*Hα-helixtrans-63.2-37.8179.259.60000112.4E583 D584 G591E583-S587 PolarHBondContact O-N 3.37Å; E583-S587 PolarHBondContact O-OG 3.29Å; E583-S587 VanDerWaalsContact O-OG 3.09Å; D584-S587 WeakPolarHBondContact CA-OG 3.41Å; D584-S587 PolarHBondContact O-OG 3.17Å; S587-G591 PolarHBondContact O-N 3.32Å
588S74Confident66.9Low76 Ų76112.1 Ų112.153%0.53162%0.623SS.*Hα-helixtrans-71.6-28.8175.860.40000114.3D584 F585 I586D584-S588 VanDerWaalsContact O-CB 3.23Å; D584-S588 WeakPolarHBondContact O-CB 3.49Å; D584-S588 PolarHBondContact O-N 2.83Å; D584-S588 VanDerWaalsContact O-N 3.1Å; D584-S588 PolarHBondContact O-OG 3.47Å; F585-S588 WeakPolarHBondContact CA-OG 3.42Å; F585-S588 PolarHBondContact O-OG 2.93Å; F585-S588 VanDerWaalsContact O-OG 3.08Å; I586-S588 VanDerWaalsContact C-N 3.33Å; I586-S588 PolarHBondContact O-N 3.13Å
589K69.7Low64.8Low141 Ų141116.3 Ų116.361%0.61363%0.627SS**Hα-helixtrans-84.7-35.8174.2-112.5179.2176.6178.10113.5F585 I586 G591F585-K589 HydrophobicContact CE1-CD 3.99Å; F585-K589 HydrophobicContact CZ-CD 4.04Å; F585-K589 WeakPolarHBondContact O-CB 3.48Å; F585-K589 PolarHBondContact O-N 3Å; I586-K589 PolarHBondContact O-N 3.12Å; K589-G591 VanDerWaalsContact C-N 3.29Å; K589-G591 PolarHBondContact O-N 2.98Å
590A65.2Low62.8Low53 Ų53117.5 Ų117.544%0.43864%0.635SS.*Hα-helixtrans-69.1-26.7-179.600000112.6I586 K592I586-A590 WeakPolarHBondContact O-CB 3.4Å; I586-A590 PolarHBondContact O-N 2.82Å; A590-K592 PolarHBondContact O-N 2.92Å
591G57.3Low60.7Low56 Ų56113.9 Ų113.958%0.57763%0.631SS**THydrogen-bonded Turntrans-69.4-4.6-178.900000116.8S587 K589S587-G591 PolarHBondContact O-N 3.32Å; K589-G591 VanDerWaalsContact C-N 3.29Å; K589-G591 PolarHBondContact O-N 2.98Å
592K58.3Low58.6Low191 Ų191118.1 Ų118.183%0.8366%0.657SS**THydrogen-bonded Turntrans-113.1-14.1-175.3-71178.3-179.1175.40116A590A590-K592 PolarHBondContact O-N 2.92Å
593S53.9Low56.7Low112 Ų112120.1 Ų120.178%0.78366%0.663SS**THydrogen-bonded Turntrans-117.1-3.3-179.556.20000114.9
594A51.2Low54.6Low80 Ų80122.3 Ų122.366%0.66168%0.678SS**SBendtrans-10910.7-179.200000114.4E596A594-E596 PolarHBondContact O-N 2.79Å
595S49.5Very low52.9Low81 Ų81123.3 Ų123.357%0.56668%0.683SS**THydrogen-bonded Turntrans-90.426.1-174-167.70000115.2
596E45.6Very low50.8Low192 Ų192125.3 Ų125.390%0.89770%0.704SS**THydrogen-bonded Turntrans-118.17173.3-82.7-171.4170.800115.1A594A594-E596 PolarHBondContact O-N 2.79Å
597R46.5Very low49.3Very low234 Ų234131.1 Ų131.188%0.88373%0.73SS**  trans-124.659.9165.6-78.9-172.9-78145.5-3.8111.5I599R597-I599 PolarHBondContact O-N 3.23Å
598K41.3Very low47.5Very low185 Ų185133.4 Ų133.480%0.80475%0.746SS**  trans-84.894.2155.5-82.7-175.2176.3179.30108.1S600K598-S600 PolarHBondContact O-N 2.92Å
599I40.8Very low45.8Very low156 Ų156137.5 Ų137.580%0.876%0.762SS**  trans-72.1121.8156.7-65.5170.5000105.8R597R597-I599 PolarHBondContact O-N 3.23Å
600S41.9Very low44.3Very low107 Ų107140 Ų14075%0.74878%0.775SS**  trans-65.6131.3175.360.50000110.7K598K598-S600 PolarHBondContact O-N 2.92Å
601S33.8Very low43Very low111 Ų111141 Ų14178%0.77679%0.791SS**  trans-172.586.4140.639.50000108.7I603S601-I603 PolarHBondContact O-N 2.94Å; S601-I603 VanDerWaalsContact O-N 3.16Å
602T35.1Very low42.5Very low136 Ų136148 Ų14883%0.83481%0.809SS**  trans-71.999.7157.5-56.10000107.2
603I41.3Very low41.7Very low135 Ų135142.2 Ų142.269%0.69280%0.797SS**  trans46.5108.6138.4-50.2165.9000116.5S601S601-I603 PolarHBondContact O-N 2.94Å; S601-I603 VanDerWaalsContact O-N 3.16Å
604D31.3Very low41.3Very low164 Ų164144.4 Ų144.488%0.87780%0.8SS**  -139.7136.1126.2-124.8-17.3000110.6T606D604-T606 PolarHBondContact O-N 3.37Å
605N41.9Very low40.7Very low146 Ų146149 Ų14978%0.78181%0.805SS**  trans-60.8116.7-171.9-89.1-31000112.7
606T34.6Very low40.5Very low142 Ų142154.5 Ų154.587%0.87182%0.819SS**  trans-159.4135.6138.5-29.30000110.3D604D604-T606 PolarHBondContact O-N 3.37Å
607Q46.7Very low40.4Very low183 Ų183151.3 Ų151.386%0.85581%0.813SS**  trans-66.6162.4-177.1-75.1170-39.200113.6
608S38.3Very low40.2Very low120 Ų120145.4 Ų145.484%0.83980%0.803SS**  trans80.6117.5-178.762.90000113.2
609D36.8Very low40Very low163 Ų163145 Ų14587%0.87280%0.803SS**  -168.7142.964.3-153.5-1.2000109.2
610Q40.1Very low39.9Very low192 Ų192147.1 Ų147.190%0.89780%0.802SS**  trans-91.4108-177.8-102.7168.4-9.400109.5
611G36.3Very low39.9Very low74 Ų74153.2 Ų153.276%0.76381%0.809SS**  trans-76.3136.7162.500000111.2
612E47.5Very low40.3Very low203 Ų203157.3 Ų157.395%0.94981%0.813SS**  trans-39.5126.3177.6-67.4174.8139.300114.5
613A40.9Very low40.5Very low71 Ų71156.6 Ų156.659%0.58781%0.808SS**  trans-131.5116.7154.200000108.2F615A613-F615 HydrophobicContact CB-CD2 4.36Å; A613-F615 HydrophobicContact CB-CE2 3.97Å; A613-F615 WeakPolarHBondContact O-CD2 3.48Å; A613-F615 PolarHBondContact O-N 2.9Å
614D45.3Very low40.3Very low158 Ų158154.8 Ų154.885%0.84581%0.807SS**  trans-60.592.1-179.9-170.719.7000110.9
615F38.8Very low41Very low176 Ų176154.8 Ų154.877%0.77281%0.806SS**  trans-102116.2166-71.8-77.1000108.6A613 T617A613-F615 HydrophobicContact CB-CD2 4.36Å; A613-F615 HydrophobicContact CB-CE2 3.97Å; A613-F615 WeakPolarHBondContact O-CD2 3.48Å; A613-F615 PolarHBondContact O-N 2.9Å; F615-T617 PolarHBondContact O-N 3.24Å
616K46Very low41.3Very low196 Ų196154.8 Ų154.885%0.85281%0.806SS**  trans-57.5100.8169.9-79.3176.8177.6174.20109.7V618K616-V618 PolarHBondContact O-N 3.32Å; K616-V618 VanDerWaalsContact O-N 3.14Å
617T42.7Very low41.8Very low125 Ų125155.3 Ų155.377%0.76780%0.804SS**  trans-55.3112.9168.3-620000109.5F615 H619F615-T617 PolarHBondContact O-N 3.24Å; T617-H619 PolarHBondContact O-N 3.35Å
618V43.3Very low41.5Very low111 Ų111154.9 Ų154.967%0.67380%0.802SS**  trans-72.6108.2170.41780000107.6K616 Y620K616-V618 PolarHBondContact O-N 3.32Å; K616-V618 VanDerWaalsContact O-N 3.14Å; V618-Y620 PolarHBondContact O-N 2.98Å
619H37.7Very low41.7Very low175 Ų175156.1 Ų156.181%0.8180%0.799SS**  trans-66.1110175.2-116.5-54.8000109.8T617 R621T617-H619 PolarHBondContact O-N 3.35Å; H619-R621 PolarHBondContact O-N 3.28Å
620Y38.7Very low42Very low201 Ų201155.9 Ų155.979%0.78880%0.796SS**  trans-70.8127.3159.3-65.3-82.3000108.3V618 K622V618-Y620 PolarHBondContact O-N 2.98Å; Y620-K622 PolarHBondContact O-N 2.83Å
621R41.3Very low42.2Very low235 Ų235153.7 Ų153.789%0.88779%0.791SS**  trans-63.196.6171.9-170.8179.5-161.3-170.14.4108.1H619 V623H619-R621 PolarHBondContact O-N 3.28Å; R621-V623 PolarHBondContact O-N 3.35Å; R621-V623 VanDerWaalsContact O-N 3.07Å
622K41.5Very low42.1Very low197 Ų197155 Ų15586%0.85779%0.787SS**  trans-66.2104167.8-147.1177.5-171.1-174.60106Y620 S624Y620-K622 PolarHBondContact O-N 2.83Å; K622-S624 PolarHBondContact O-N 3.03Å
623V39.2Very low41.9Very low122 Ų122149.7 Ų149.774%0.73978%0.778SS**  trans-72.2110.7166.1-175.50000104.9R621 L625R621-V623 PolarHBondContact O-N 3.35Å; R621-V623 VanDerWaalsContact O-N 3.07Å; V623-L625 PolarHBondContact O-N 3.04Å
624S38Very low42.2Very low96 Ų96150.1 Ų150.167%0.67178%0.776SS**  trans-59.7119.8172.3-31.40000108.2K622K622-S624 PolarHBondContact O-N 3.03Å
625L44.5Very low42.1Very low164 Ų164149 Ų14986%0.85977%0.771SS**  trans-85.6116.8146.3-80.5162.6000104.4V623 D627V623-L625 PolarHBondContact O-N 3.04Å; L625-D627 PolarHBondContact O-N 2.89Å
626D48.9Very low42.3Very low146 Ų146148.2 Ų148.278%0.78177%0.774SS**  trans-58.7104.5171.4-70.8-38000108.5
627D44.6Very low42Very low153 Ų153144.2 Ų144.282%0.81876%0.762SS**  trans-117104.3152.8-79.7-38.9000105.7L625 D629L625-D627 PolarHBondContact O-N 2.89Å; D627-D629 PolarHBondContact O-N 2.95Å
628E40.9Very low41.9Very low175 Ų175145.8 Ų145.882%0.81876%0.761SS**  trans-27.5117.8179.2-65.7-77.215500115.2I630E628-I630 PolarHBondContact O-N 3.36Å
629D42.4Very low41.9Very low146 Ų146146 Ų14678%0.78176%0.755SS**  trans-63.396.6163.1-77.2-43.8000110.2D627 N631D627-D629 PolarHBondContact O-N 2.95Å; D629-N631 PolarHBondContact O-N 3.19Å; D629-N631 VanDerWaalsContact O-N 3.09Å
630I43Very low42.1Very low157 Ų157146.3 Ų146.381%0.80575%0.749SS**  trans-77.687.9152.4-62.2176.9000107E628 C632E628-I630 PolarHBondContact O-N 3.36Å; I630-C632 PolarHBondContact O-N 2.8Å
631N44.7Very low42.2Very low146 Ų146142.4 Ų142.478%0.78174%0.738SS**  trans-54.7100.7156.1-92.7-51.8000108.9D629D629-N631 PolarHBondContact O-N 3.19Å; D629-N631 VanDerWaalsContact O-N 3.09Å
632C34.2Very low42.2Very low102 Ų102137.7 Ų137.769%0.68973%0.726SS**  trans-98.492.3152.7-166.80000107.6I630 S634I630-C632 PolarHBondContact O-N 2.8Å; C632-S634 VanDerWaalsContact C-N 3.3Å; C632-S634 PolarHBondContact O-N 3.19Å
633A43.9Very low42.2Very low92 Ų92135.8 Ų135.876%0.7672%0.72SS**  trans-62.194.2159.800000108.7
634S47.3Very low42.1Very low79 Ų79136.2 Ų136.255%0.55271%0.712SS**  trans-165.297.7163.5-91.10000107.3C632C632-S634 VanDerWaalsContact C-N 3.3Å; C632-S634 PolarHBondContact O-N 3.19Å
635D43.1Very low42.2Very low136 Ų136134.6 Ų134.673%0.72770%0.7SS**SBendtrans-173.4-10.9161-93.9-16.2000110.7
636N41.6Very low42.1Very low158 Ų158131.6 Ų131.685%0.84569%0.685SS**SBendtrans-87.9-4.2173.6-69.6-41.5000114.5
637D39.5Very low41.6Very low113 Ų113132.6 Ų132.660%0.60469%0.685SS**SBendtrans-92.9-16.7179.6-75.6-39.3000113.7R640 E641D637-R640 PolarHBondContact O-N 3.43Å; D637-E641 PolarHBondContact O-N 3.14Å
638E42.3Very low41.1Very low157 Ų157128.9 Ų128.973%0.73468%0.675SS**Hα-helixtrans-75.8-26.4-179.8-68.4-160165.600113.6
639E42.2Very low41Very low117 Ų117124.9 Ų124.955%0.54767%0.667SS.*Hα-helixtrans-84.6-10.8176.2-68.2-163.2157.600113.5R539R539-E639 IonicContact CZ-OE1 2.85Å; R539-E639 VanDerWaalsContact CZ-OE1 3.22Å; R539-E639 IonicContact NH1-OE1 2.8Å; R539-E639 PolarHBondContact NH1-OE1 2.95Å; R539-E639 IonicContact NH2-OE1 2.69Å; R539-E639 PolarHBondContact NH2-OE1 3.13Å
640R42.5Very low40.9Very low181 Ų181125.3 Ų125.368%0.68367%0.668SS**Hα-helixtrans-98.3-24.7-178.5-156.2173.7-166.7-143.33.2113.8D637D637-R640 PolarHBondContact O-N 3.43Å
641E41.5Very low40.6Very low119 Ų119122.9 Ų122.956%0.55667%0.665SS**Hα-helixtrans-82.4-25.6177.6-76.3-63.4146.500113.2D637 Q643 K644D637-E641 PolarHBondContact O-N 3.14Å; E641-Q643 VanDerWaalsContact C-N 3.33Å; E641-Q643 PolarHBondContact O-N 3.38Å; E641-K644 PolarHBondContact O-N 3.12Å
642E41.1Very low40.3Very low136 Ų136122.2 Ų122.264%0.63666%0.657SS**THydrogen-bonded Turntrans-77-18.6178.1-144.7174.8-165.300113.1S645E642-S645 PolarHBondContact O-OG 3.41Å; E642-S645 VanDerWaalsContact O-OG 3.1Å
643Q39.8Very low40.5Very low156 Ų156127.8 Ų127.873%0.72966%0.664SS**THydrogen-bonded Turntrans-87.8-16.2174-66.2-172.914.200113.8E641E641-Q643 VanDerWaalsContact C-N 3.33Å; E641-Q643 PolarHBondContact O-N 3.38Å
644K39.1Very low40.4Very low132 Ų132132.2 Ų132.257%0.57467%0.669SS**THydrogen-bonded Turntrans-83-28.2175.2-96.1179.2177.7173.70113E641 D646E641-K644 PolarHBondContact O-N 3.12Å; K644-D646 VanDerWaalsContact C-N 3.29Å; K644-D646 PolarHBondContact O-N 3.22Å
645S39.3Very low39.8Very low61 Ų61133 Ų13343%0.42767%0.674SS.*Hα-helixtrans-69.2-25.8176.452.20000113.5E642 S649E642-S645 PolarHBondContact O-OG 3.41Å; E642-S645 VanDerWaalsContact O-OG 3.1Å; S645-S649 PolarHBondContact O-OG 3.2Å
646D41.3Very low39.4Very low102 Ų102134.1 Ų134.155%0.54568%0.675SS.*Hα-helixtrans-82.8-20.5-178.6-81-6.3000113.7K644K644-D646 VanDerWaalsContact C-N 3.29Å; K644-D646 PolarHBondContact O-N 3.22Å
647Q39.3Very low38.9Very low167 Ų167135 Ų13578%0.7868%0.68SS**Hα-helixtrans-86.6-29172.8-81.5-156.9-0.700114.1S649Q647-S649 PolarHBondContact O-N 3.44Å
648A34.7Very low38.7Very low74 Ų74133.9 Ų133.961%0.61269%0.686SS**Hα-helixtrans-73.3-15.7174.500000113.1
649S39Very low38.3Very low92 Ų92132.4 Ų132.464%0.64369%0.693SS**THydrogen-bonded Turntrans-84.2-7.9-179.8-58.70000114.4S645 Q647S645-S649 PolarHBondContact O-OG 3.2Å; Q647-S649 PolarHBondContact O-N 3.44Å
650L39.8Very low37.8Very low154 Ų154130.5 Ų130.581%0.80671%0.705SS**SBendtrans-104.8-5-172.7-100151.6000114.5
651S36.3Very low37.5Very low106 Ų106130.3 Ų130.374%0.74171%0.711SS**SBendtrans-102.70.3179.5600000115.2
652H38.3Very low37.1Very low132 Ų132133.9 Ų133.961%0.61173%0.728SS**  trans-119.171.1176.5-152.3-12000112.1
653R38.2Very low36.9Very low220 Ų220130.6 Ų130.683%0.8373%0.73SS**  trans-142.880160.9-98.3-170.3174.3170.6-3110.8
654E42.6Very low36.5Very low185 Ų185131.1 Ų131.186%0.86474%0.738SS**SBendtrans-167.982.2144.5-108176.1-163.400107.5
655S33.8Very low36.3Very low94 Ų94133.2 Ų133.266%0.65775%0.749SS**SBendtrans-175.3107159.9-740000110.3
656E35.9Very low36.4Very low160 Ų160135.4 Ų135.475%0.74876%0.762SS**  trans71.9111.2141.2-52.4-171.8156.500121.2
657D30.9Very low36Very low178 Ų178139.4 Ų139.495%0.95278%0.777SS**  trans-85.9110.2142.1-85.7-34000108
658A35.8Very low35.8Very low88 Ų88142.2 Ų142.273%0.72778%0.782SS**  trans-139.991.1160.100000107.5G660A658-G660 PolarHBondContact O-N 3.4Å
659S33.1Very low35.9Very low127 Ų127144 Ų14489%0.88879%0.791SS**  trans-88.892.8172.445.90000109.9
660G31Very low35.6Very low77 Ų77147.2 Ų147.279%0.79480%0.8SS**  trans-79.2140.6160.100000110.8A658A658-G660 PolarHBondContact O-N 3.4Å
661H37Very low35.5Very low177 Ų177147.6 Ų147.682%0.81980%0.798SS**  trans-81.7128.3-175.8-163.476.8000111
662H33.6Very low35.4Very low194 Ų194147.7 Ų147.790%0.89880%0.799SS**  trans176.9135.7152.4-83-45.3000105.6
663G36.5Very low35.3Very low67 Ų67151.6 Ų151.669%0.69181%0.809SS**  cis134.565.717.500000106.7
664D31Very low35.5Very low166 Ų166147.3 Ų147.389%0.88881%0.808SS**  trans-95.7111.2-178.4-79.2-22.1000111.2
665H34.3Very low35.3Very low176 Ų176149 Ų14982%0.81581%0.808SS**PPolyproline II helixtrans-75.9125.3166.5-135.8-63.9000108.1H667H665-H667 PolarHBondContact O-N 3.23Å
666P42.5Very low36.1Very low107 Ų107149 Ų14970%0.69581%0.808SS**PPolyproline II helixtrans-76.4125173.5-1126.7000110.1Y668P666-Y668 PolarHBondContact O-N 3.48Å
667H33.2Very low36.5Very low187 Ų187147.6 Ų147.687%0.86681%0.806SS**PPolyproline II helixtrans-65.7119.7163.6-90.8-86.9000109.3H665H665-H667 PolarHBondContact O-N 3.23Å
668Y35.1Very low37.1Very low226 Ų226149.8 Ų149.889%0.88682%0.818SS**PPolyproline II helixtrans-71.2126.2165.1-102.2-102.2000109.1P666P666-Y668 PolarHBondContact O-N 3.48Å
669S35.4Very low37.1Very low112 Ų112152.9 Ų152.978%0.78382%0.822SS**PPolyproline II helixtrans-76.1122161.3-63.20000108.2E671S669-E671 PolarHBondContact O-N 3.19Å
670D33.1Very low37.4Very low158 Ų158154.3 Ų154.385%0.84582%0.819SS**  trans-83.7100175.2-165.913.5000108.2
671E37Very low37.7Very low163 Ų163158.6 Ų158.676%0.76282%0.82SS**  trans-85.3104.1167.4-79.1-179.7163.100108.5S669 Y673S669-E671 PolarHBondContact O-N 3.19Å; E671-Y673 PolarHBondContact O-N 3.22Å
672S34.3Very low37.8Very low108 Ų108157.5 Ų157.576%0.75582%0.82SS**  trans-63.3110.1171.854.30000111
673Y37.4Very low38Very low213 Ų213155.2 Ų155.284%0.83582%0.815SS**  trans-106.1111159.4-95.4-87.1000109.7E671E671-Y673 PolarHBondContact O-N 3.22Å
674T42.1Very low38.1Very low130 Ų130161.1 Ų161.180%0.79882%0.824SS**  trans-71.6127.5163.547.10000109.5
675Y39.1Very low38.6Very low220 Ų220160.7 Ų160.786%0.86382%0.819SS**  trans-128.6115.9157.9-161.6-95.1000108.9
676S49.5Very low39Very low95 Ų95159.5 Ų159.566%0.66482%0.819SS**  trans-79.8132160.6-55.50000108.3
677D45Very low38.7Very low131 Ų131163.9 Ų163.970%0.70183%0.83SS**  173146.7109.4-113.9-7.4000111.5
678D42.6Very low39.1Very low224 Ų224161.8 Ų161.8100%1.19883%0.826SS**  trans56.60156.3-70.4-24000122.2

Retrieved 678 of 678 residues in 656.4 ms (Link to these results)