A0A096N9B1_PAPAN Loading...

NKAP domain containing 1

AlphaFold DB (A0A663D6P2), UniProt , Accession A0A096N9B1, Species PAPAN (Papio anubis, Olive baboon), Gene NKAPD1, Length 293 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
1M53.7Low86.6Confident242 Ų242128.8 Ų128.8100%1.19268%0.678SS**  0136.30-60.3169.684.600108.3
2S74.4Confident87.4Confident121 Ų121129 Ų12985%0.84666%0.663SS**PPolyproline II helixtrans-76.2131.3178.540.80000111.2
3R83.4Confident88.1Confident244 Ų244123.5 Ų123.592%0.92164%0.635SS**PPolyproline II helixtrans-79.5129.1176.3-53.3-173.5-157.3-143.56.1108.8
4I84Confident88.7Confident114 Ų114120.1 Ų120.159%0.58562%0.623SS**PPolyproline II helixtrans-74.3126.1175.8-56.8175.2000107.8K8 V9I4-K8 HydrophobicContact CG2-CB 4.14Å; I4-V9 HydrophobicContact CB-CG2 4.28Å; I4-V9 HydrophobicContact CG2-CG2 3.8Å
5P91.7Very high89.3Confident73 Ų73117.2 Ų117.247%0.47461%0.607SS.*PPolyproline II helixtrans-65.8138.2-178.926.5-34.5000111G7 K8P5-G7 VanDerWaalsContact C-N 3.27Å; P5-G7 PolarHBondContact O-N 2.92Å; P5-G7 VanDerWaalsContact O-N 3.14Å; P5-K8 HydrophobicContact CG-CB 4.38Å; P5-K8 HydrophobicContact CG-CD 3.77Å; P5-K8 HydrophobicContact CG-CG 3.97Å; P5-K8 PolarHBondContact O-N 3.14Å
6L90.9Very high89.8Confident150 Ų150119.8 Ų119.879%0.78561%0.607SS**Hα-helixtrans-53.3-40.2-169.1-65.1172.6000113.4K8 V9 L10L6-K8 VanDerWaalsContact C-N 3.28Å; L6-K8 PolarHBondContact O-N 2.92Å; L6-V9 WeakPolarHBondContact O-CA 3.31Å; L6-V9 WeakPolarHBondContact O-CB 3.25Å; L6-V9 PolarHBondContact O-N 2.98Å; L6-L10 PolarHBondContact O-N 3.21Å
7G93.1Very high90.3Very high53 Ų53120.7 Ų120.755%0.54661%0.608SS.*Hα-helixtrans-57.8-34.3176.700000114.2P5 L11P5-G7 VanDerWaalsContact C-N 3.27Å; P5-G7 PolarHBondContact O-N 2.92Å; P5-G7 VanDerWaalsContact O-N 3.14Å; G7-L11 VanDerWaalsContact O-CB 3.25Å; G7-L11 WeakPolarHBondContact O-CB 3.45Å; G7-L11 PolarHBondContact O-N 3.22Å
8K94.7Very high90.7Very high147 Ų147117.6 Ų117.664%0.63960%0.596SS**Hα-helixtrans-72.5-30.1175.1-66.7-174.8-174.6-178.30112.2I4 P5 L6 R12I4-K8 HydrophobicContact CG2-CB 4.14Å; P5-K8 HydrophobicContact CG-CB 4.38Å; P5-K8 HydrophobicContact CG-CD 3.77Å; P5-K8 HydrophobicContact CG-CG 3.97Å; P5-K8 PolarHBondContact O-N 3.14Å; L6-K8 VanDerWaalsContact C-N 3.28Å; L6-K8 PolarHBondContact O-N 2.92Å; K8-R12 VanDerWaalsContact O-CB 3.31Å; K8-R12 WeakPolarHBondContact O-CB 3.48Å; K8-R12 PolarHBondContact O-N 2.56Å
9V94.2Very high91Very high47 Ų47116.2 Ų116.229%0.28559%0.59SS.*Hα-helixtrans-72.8-45.9174.1-175.30000110.2I4 L6 R12 N13I4-V9 HydrophobicContact CB-CG2 4.28Å; I4-V9 HydrophobicContact CG2-CG2 3.8Å; L6-V9 WeakPolarHBondContact O-CA 3.31Å; L6-V9 WeakPolarHBondContact O-CB 3.25Å; L6-V9 PolarHBondContact O-N 2.98Å; V9-R12 PolarHBondContact O-N 3.38Å; V9-N13 PolarHBondContact O-N 3.33Å; V9-N13 PolarHBondContact O-OD1 2.99Å
10L96Very high91.4Very high119 Ų119112.8 Ų112.862%0.62358%0.581SS**Hα-helixtrans-60.4-50.6177.1-17860000111.2L6 R12 N13 V14L6-L10 PolarHBondContact O-N 3.21Å; L10-R12 VanDerWaalsContact C-N 3.35Å; L10-R12 PolarHBondContact O-N 2.88Å; L10-N13 WeakPolarHBondContact O-CB 3.43Å; L10-N13 PolarHBondContact O-N 3.36Å; L10-V14 HydrophobicContact CD1-CG2 4.41Å; L10-V14 WeakPolarHBondContact O-CG2 3.27Å; L10-V14 PolarHBondContact O-N 3.38Å
11L96.5Very high91.7Very high107 Ų107112.9 Ų112.956%0.5658%0.579SS**Hα-helixtrans-56.8-45.8177.1-178.858.4000112.3G7 N13 V14 I15G7-L11 VanDerWaalsContact O-CB 3.25Å; G7-L11 WeakPolarHBondContact O-CB 3.45Å; G7-L11 PolarHBondContact O-N 3.22Å; L11-N13 VanDerWaalsContact C-N 3.26Å; L11-N13 PolarHBondContact O-N 3.06Å; L11-V14 PolarHBondContact O-N 3.27Å; L11-I15 HydrophobicContact CD1-CD1 3.98Å; L11-I15 HydrophobicContact CD1-CG1 4.28Å; L11-I15 HydrophobicContact CG-CD1 3.92Å; L11-I15 VanDerWaalsContact O-CG1 3.32Å; L11-I15 WeakPolarHBondContact O-CG1 3.39Å; L11-I15 PolarHBondContact O-N 2.92Å
12R96.2Very high93.8Very high131 Ų131105 Ų10549%0.49454%0.541SS..Hα-helixtrans-63.9-32.5177.3-168.6-16468.8178.2-1.2112.3K8 V9 L10 R16K8-R12 VanDerWaalsContact O-CB 3.31Å; K8-R12 WeakPolarHBondContact O-CB 3.48Å; K8-R12 PolarHBondContact O-N 2.56Å; V9-R12 PolarHBondContact O-N 3.38Å; L10-R12 VanDerWaalsContact C-N 3.35Å; L10-R12 PolarHBondContact O-N 2.88Å; R12-R16 WeakPolarHBondContact O-CB 3.5Å; R12-R16 VanDerWaalsContact O-CG 3.27Å; R12-R16 WeakPolarHBondContact O-CG 3.32Å; R12-R16 PolarHBondContact O-N 3.26Å; R12-R16 VanDerWaalsContact O-N 3.16Å
13N96.4Very high94.9Very high58 Ų58104.8 Ų104.831%0.3153%0.525SS..Hα-helixtrans-73.6-45.1175.6-67.6-4.7000110.7V9 L10 L11 I15 R16 H17V9-N13 PolarHBondContact O-N 3.33Å; V9-N13 PolarHBondContact O-OD1 2.99Å; L10-N13 WeakPolarHBondContact O-CB 3.43Å; L10-N13 PolarHBondContact O-N 3.36Å; L11-N13 VanDerWaalsContact C-N 3.26Å; L11-N13 PolarHBondContact O-N 3.06Å; N13-I15 PolarHBondContact O-N 3.16Å; N13-R16 PolarHBondContact O-N 2.85Å; N13-R16 VanDerWaalsContact O-N 3.17Å; N13-H17 PolarHBondContact O-CD2 2.92Å; N13-H17 PolarHBondContact O-N 3.34Å
14V97.2Very high95.5Very high75 Ų7598.9 Ų98.946%0.45551%0.51SS..Hα-helixtrans-54.3-53174.4171.40000110.7L10 L11 R16 H17 T18L10-V14 HydrophobicContact CD1-CG2 4.41Å; L10-V14 WeakPolarHBondContact O-CG2 3.27Å; L10-V14 PolarHBondContact O-N 3.38Å; L11-V14 PolarHBondContact O-N 3.27Å; V14-R16 VanDerWaalsContact C-N 3.32Å; V14-R16 PolarHBondContact O-N 2.94Å; V14-H17 PolarHBondContact O-N 3.17Å; V14-T18 PolarHBondContact O-N 3.32Å; V14-T18 PolarHBondContact O-OG1 3.26Å
15I97.4Very high96.1Very high77 Ų7798.2 Ų98.240%0.39551%0.505SS..Hα-helixtrans-55.6-46.6177.2-67165.7000110.8L11 N13 H17 T18 D19L11-I15 HydrophobicContact CD1-CD1 3.98Å; L11-I15 HydrophobicContact CD1-CG1 4.28Å; L11-I15 HydrophobicContact CG-CD1 3.92Å; L11-I15 VanDerWaalsContact O-CG1 3.32Å; L11-I15 WeakPolarHBondContact O-CG1 3.39Å; L11-I15 PolarHBondContact O-N 2.92Å; N13-I15 PolarHBondContact O-N 3.16Å; I15-H17 VanDerWaalsContact C-N 3.3Å; I15-H17 PolarHBondContact O-N 2.98Å; I15-T18 WeakPolarHBondContact CA-OG1 3.17Å; I15-T18 PolarHBondContact O-N 3.05Å; I15-T18 PolarHBondContact O-OG1 3.3Å; I15-D19 WeakPolarHBondContact CG2-OD2 3.24Å; I15-D19 VanDerWaalsContact O-CB 3.32Å; I15-D19 WeakPolarHBondContact O-CB 3.32Å; I15-D19 PolarHBondContact O-N 3.3Å
16R97.6Very high96.4Very high158 Ų158100.3 Ų100.360%0.59651%0.508SS*.Hα-helixtrans-62.4-33.2177.4-81.6175.8154.5-158.4-9.1114.1R12 N13 V14 A20R12-R16 WeakPolarHBondContact O-CB 3.5Å; R12-R16 VanDerWaalsContact O-CG 3.27Å; R12-R16 WeakPolarHBondContact O-CG 3.32Å; R12-R16 PolarHBondContact O-N 3.26Å; R12-R16 VanDerWaalsContact O-N 3.16Å; N13-R16 PolarHBondContact O-N 2.85Å; N13-R16 VanDerWaalsContact O-N 3.17Å; V14-R16 VanDerWaalsContact C-N 3.32Å; V14-R16 PolarHBondContact O-N 2.94Å; R16-A20 VanDerWaalsContact O-CB 3.24Å; R16-A20 WeakPolarHBondContact O-CB 3.49Å; R16-A20 PolarHBondContact O-N 3.13Å; R16-A20 VanDerWaalsContact O-N 3.13Å
17H97.8Very high96.7Very high136 Ų13697.1 Ų97.163%0.6349%0.489SS*.Hα-helixtrans-77.2-38.2177.2-70.5-61.4000111.8N13 V14 I15 H21N13-H17 PolarHBondContact O-CD2 2.92Å; N13-H17 PolarHBondContact O-N 3.34Å; V14-H17 PolarHBondContact O-N 3.17Å; I15-H17 VanDerWaalsContact C-N 3.3Å; I15-H17 PolarHBondContact O-N 2.98Å; H17-H21 WeakPolarHBondContact O-CB 3.35Å; H17-H21 PolarHBondContact O-N 3.44Å
18T97.1Very high96.9Very high64 Ų6497.7 Ų97.739%0.39349%0.485SS..Hα-helixtrans-66.2-45.1172.552.20000111.5V14 I15 A20 H21 N22V14-T18 PolarHBondContact O-N 3.32Å; V14-T18 PolarHBondContact O-OG1 3.26Å; I15-T18 WeakPolarHBondContact CA-OG1 3.17Å; I15-T18 PolarHBondContact O-N 3.05Å; I15-T18 PolarHBondContact O-OG1 3.3Å; T18-A20 VanDerWaalsContact C-N 3.31Å; T18-A20 PolarHBondContact O-N 2.83Å; T18-H21 PolarHBondContact O-N 3.17Å; T18-N22 WeakPolarHBondContact O-CB 3.39Å; T18-N22 PolarHBondContact O-N 3.46Å; T18-N22 PolarHBondContact O-OD1 2.89Å
19D97.7Very high97Very high91 Ų9193.4 Ų93.449%0.48747%0.469SS..Hα-helixtrans-60.2-41.5177.3-65.9-6.6000111.3I15 K23I15-D19 WeakPolarHBondContact CG2-OD2 3.24Å; I15-D19 VanDerWaalsContact O-CB 3.32Å; I15-D19 WeakPolarHBondContact O-CB 3.32Å; I15-D19 PolarHBondContact O-N 3.3Å; D19-K23 WeakPolarHBondContact O-CB 3.4Å; D19-K23 PolarHBondContact O-N 2.9Å
20A97.6Very high97.1Very high48 Ų4896.7 Ų96.740%0.39748%0.483SS..Hα-helixtrans-67.8-40.6177.100000112.5R16 T18 I24R16-A20 VanDerWaalsContact O-CB 3.24Å; R16-A20 WeakPolarHBondContact O-CB 3.49Å; R16-A20 PolarHBondContact O-N 3.13Å; R16-A20 VanDerWaalsContact O-N 3.13Å; T18-A20 VanDerWaalsContact C-N 3.31Å; T18-A20 PolarHBondContact O-N 2.83Å; A20-I24 WeakPolarHBondContact O-CD1 3.3Å; A20-I24 VanDerWaalsContact O-CG1 3.28Å; A20-I24 WeakPolarHBondContact O-CG1 3.28Å; A20-I24 PolarHBondContact O-N 2.85Å; A20-I24 VanDerWaalsContact O-N 3.14Å
21H97.9Very high97.2Very high116 Ų11699.7 Ų99.754%0.53749%0.486SS..Hα-helixtrans-64.6-52.6175.9-179-82.1000111.4H17 T18 K23 I24 Q25H17-H21 WeakPolarHBondContact O-CB 3.35Å; H17-H21 PolarHBondContact O-N 3.44Å; T18-H21 PolarHBondContact O-N 3.17Å; H21-K23 VanDerWaalsContact C-N 3.3Å; H21-K23 PolarHBondContact O-N 3.37Å; H21-I24 PolarHBondContact O-N 3.46Å; H21-I24 VanDerWaalsContact O-N 3.1Å; H21-Q25 PolarHBondContact CE1-OE1 3.38Å; H21-Q25 PolarHBondContact O-N 2.99Å
22N97.7Very high97.2Very high75 Ų75101.1 Ų101.140%0.40149%0.488SS..Hα-helixtrans-56.4-46.4179.2-66.9-1.4000110.6T18 I24 Q25 E26T18-N22 WeakPolarHBondContact O-CB 3.39Å; T18-N22 PolarHBondContact O-N 3.46Å; T18-N22 PolarHBondContact O-OD1 2.89Å; N22-I24 PolarHBondContact O-N 3.48Å; N22-Q25 WeakPolarHBondContact O-CB 3.34Å; N22-Q25 PolarHBondContact O-N 2.98Å; N22-Q25 VanDerWaalsContact O-N 3.17Å; N22-E26 WeakPolarHBondContact O-CB 3.47Å; N22-E26 VanDerWaalsContact O-CG 3.3Å; N22-E26 WeakPolarHBondContact O-CG 2.76Å; N22-E26 PolarHBondContact O-N 3.22Å
23K97.9Very high97.2Very high118 Ų118100.3 Ų100.351%0.51349%0.492SS..Hα-helixtrans-58.4-43.5176179.1177.1173.7-176.80113.2D19 H21 Q25 E27D19-K23 WeakPolarHBondContact O-CB 3.4Å; D19-K23 PolarHBondContact O-N 2.9Å; H21-K23 VanDerWaalsContact C-N 3.3Å; H21-K23 PolarHBondContact O-N 3.37Å; K23-Q25 VanDerWaalsContact C-N 3.32Å; K23-E27 WeakPolarHBondContact CE-OE1 3.45Å; K23-E27 HydrophobicContact CG-CG 4.49Å; K23-E27 IonicContact NZ-OE1 2.92Å; K23-E27 PolarHBondContact NZ-OE1 3.29Å; K23-E27 WeakPolarHBondContact O-CB 3.26Å; K23-E27 WeakPolarHBondContact O-CG 3.06Å; K23-E27 PolarHBondContact O-N 2.94Å
24I96.6Very high97.2Very high120 Ų120104.8 Ų104.862%0.61550%0.504SS*.Hα-helixtrans-65.3-39.8178.5-71165.7000110.4A20 H21 N22 S28A20-I24 WeakPolarHBondContact O-CD1 3.3Å; A20-I24 VanDerWaalsContact O-CG1 3.28Å; A20-I24 WeakPolarHBondContact O-CG1 3.28Å; A20-I24 PolarHBondContact O-N 2.85Å; A20-I24 VanDerWaalsContact O-N 3.14Å; H21-I24 PolarHBondContact O-N 3.46Å; H21-I24 VanDerWaalsContact O-N 3.1Å; N22-I24 PolarHBondContact O-N 3.48Å; I24-S28 WeakPolarHBondContact O-CB 3.46Å; I24-S28 PolarHBondContact O-N 3.24Å
25Q97.2Very high97.1Very high100 Ų100105 Ų10547%0.46750%0.5SS..Hα-helixtrans-64.4-52.1176.1-174.3176.8-25.700111.4H21 N22 K23 E27 S28 D29H21-Q25 PolarHBondContact CE1-OE1 3.38Å; H21-Q25 PolarHBondContact O-N 2.99Å; N22-Q25 WeakPolarHBondContact O-CB 3.34Å; N22-Q25 PolarHBondContact O-N 2.98Å; N22-Q25 VanDerWaalsContact O-N 3.17Å; K23-Q25 VanDerWaalsContact C-N 3.32Å; Q25-E27 PolarHBondContact O-N 3.42Å; Q25-S28 WeakPolarHBondContact O-CA 3.47Å; Q25-S28 WeakPolarHBondContact O-CB 3.39Å; Q25-S28 PolarHBondContact O-N 3.39Å; Q25-S28 PolarHBondContact O-OG 3.38Å; Q25-D29 PolarHBondContact O-N 2.92Å
26E97.3Very high96.9Very high117 Ų117107 Ų10755%0.54751%0.512SS..Hα-helixtrans-56.5-44.6175.9-73.1167.6-14400112.4N22 S28 D29 M30N22-E26 WeakPolarHBondContact O-CB 3.47Å; N22-E26 VanDerWaalsContact O-CG 3.3Å; N22-E26 WeakPolarHBondContact O-CG 2.76Å; N22-E26 PolarHBondContact O-N 3.22Å; E26-S28 VanDerWaalsContact C-N 3.34Å; E26-S28 PolarHBondContact O-N 3.1Å; E26-D29 PolarHBondContact O-N 3.1Å; E26-M30 WeakPolarHBondContact O-CB 3.49Å; E26-M30 WeakPolarHBondContact O-CG 3.36Å; E26-M30 PolarHBondContact O-N 3.22Å
27E96.7Very high96.6Very high83 Ų83104.2 Ų104.239%0.38851%0.505SS..Hα-helixtrans-61.4-42.9174.1-76.9-175.5-176.100111K23 Q25 M30 W31K23-E27 WeakPolarHBondContact CE-OE1 3.45Å; K23-E27 HydrophobicContact CG-CG 4.49Å; K23-E27 IonicContact NZ-OE1 2.92Å; K23-E27 PolarHBondContact NZ-OE1 3.29Å; K23-E27 WeakPolarHBondContact O-CB 3.26Å; K23-E27 WeakPolarHBondContact O-CG 3.06Å; K23-E27 PolarHBondContact O-N 2.94Å; Q25-E27 PolarHBondContact O-N 3.42Å; E27-M30 HydrophobicContact CG-CE 4.06Å; E27-M30 PolarHBondContact O-N 3.39Å; E27-W31 PolarHBondContact O-N 2.8Å
28S96.7Very high96.4Very high65 Ų65102.1 Ų102.146%0.45549%0.494SS..Hα-helixtrans-64.8-40178.180.50000113.3I24 Q25 E26 W31 K32I24-S28 WeakPolarHBondContact O-CB 3.46Å; I24-S28 PolarHBondContact O-N 3.24Å; Q25-S28 WeakPolarHBondContact O-CA 3.47Å; Q25-S28 WeakPolarHBondContact O-CB 3.39Å; Q25-S28 PolarHBondContact O-N 3.39Å; Q25-S28 PolarHBondContact O-OG 3.38Å; E26-S28 VanDerWaalsContact C-N 3.34Å; E26-S28 PolarHBondContact O-N 3.1Å; S28-W31 PolarHBondContact O-N 3.17Å; S28-K32 WeakPolarHBondContact O-CB 3.38Å; S28-K32 PolarHBondContact O-N 3.14Å
29D96.8Very high96Very high56 Ų56104.8 Ų104.830%0.29950%0.502SS..Hα-helixtrans-71.7-34.6176.2-83.1-47000111.6Q25 E26 K32 I33Q25-D29 PolarHBondContact O-N 2.92Å; E26-D29 PolarHBondContact O-N 3.1Å; D29-K32 PolarHBondContact O-N 2.97Å; D29-K32 IonicContact OD1-NZ 3.83Å; D29-K32 PolarHBondContact OD1-NZ 2.95Å; D29-I33 WeakPolarHBondContact O-CB 3.41Å; D29-I33 WeakPolarHBondContact O-CD1 3.44Å; D29-I33 VanDerWaalsContact O-CG1 3.23Å; D29-I33 WeakPolarHBondContact O-CG1 3.49Å; D29-I33 PolarHBondContact O-N 3.36Å
30M97.8Very high95.5Very high117 Ų117106.6 Ų106.658%0.57651%0.509SS*.Hα-helixtrans-62-41.6170.2-78.5-169.6-71.600112.6E26 E27 R34E26-M30 WeakPolarHBondContact O-CB 3.49Å; E26-M30 WeakPolarHBondContact O-CG 3.36Å; E26-M30 PolarHBondContact O-N 3.22Å; E27-M30 HydrophobicContact CG-CE 4.06Å; E27-M30 PolarHBondContact O-N 3.39Å; M30-R34 WeakPolarHBondContact O-CB 3.41Å; M30-R34 PolarHBondContact O-N 2.9Å
31W97.3Very high94.9Very high182 Ų182108.6 Ų108.669%0.68951%0.51SS*.Hα-helixtrans-64.6-39.7174.7-75.9113.5000112.2E27 S28 R34 E35E27-W31 PolarHBondContact O-N 2.8Å; S28-W31 PolarHBondContact O-N 3.17Å; W31-R34 PolarHBondContact O-N 3Å; W31-E35 PolarHBondContact O-N 3.47Å
32K97.6Very high94.1Very high137 Ų137107 Ų10760%0.59651%0.506SS*.Hα-helixtrans-66.7-42.2176.9173.7175.7150.2-151.30112.6S28 D29 E35 L36S28-K32 WeakPolarHBondContact O-CB 3.38Å; S28-K32 PolarHBondContact O-N 3.14Å; D29-K32 PolarHBondContact O-N 2.97Å; D29-K32 IonicContact OD1-NZ 3.83Å; D29-K32 PolarHBondContact OD1-NZ 2.95Å; K32-E35 PolarHBondContact O-N 3.42Å; K32-L36 WeakPolarHBondContact O-CB 3.38Å; K32-L36 PolarHBondContact O-N 3.13Å; K32-L36 VanDerWaalsContact O-N 3.09Å
33I96.1Very high93.4Very high114 Ų114106.4 Ų106.459%0.58551%0.511SS*.Hα-helixtrans-60.2-47.2171.8-70.3162.8000110D29 E35 L36 E37D29-I33 WeakPolarHBondContact O-CB 3.41Å; D29-I33 WeakPolarHBondContact O-CD1 3.44Å; D29-I33 VanDerWaalsContact O-CG1 3.23Å; D29-I33 WeakPolarHBondContact O-CG1 3.49Å; D29-I33 PolarHBondContact O-N 3.36Å; I33-E35 PolarHBondContact O-N 3.25Å; I33-L36 PolarHBondContact O-N 3.16Å; I33-E37 WeakPolarHBondContact O-CB 3.38Å; I33-E37 PolarHBondContact O-N 2.65Å
34R95.3Very high92.1Very high152 Ų152107.8 Ų107.857%0.57451%0.514SS*.Hα-helixtrans-61.9-40.4178.6170.1149.6-73.41524.6113.4M30 W31 L36 K38M30-R34 WeakPolarHBondContact O-CB 3.41Å; M30-R34 PolarHBondContact O-N 2.9Å; W31-R34 PolarHBondContact O-N 3Å; R34-L36 VanDerWaalsContact C-N 3.34Å; R34-K38 WeakPolarHBondContact O-CB 3.36Å; R34-K38 PolarHBondContact O-N 3.42Å
35E95.1Very high90.8Very high78 Ų78108.5 Ų108.536%0.36451%0.509SS..Hα-helixtrans-69.3-35177.9-176.153.4-144.600111.6W31 K32 I33 K38 Q39W31-E35 PolarHBondContact O-N 3.47Å; K32-E35 PolarHBondContact O-N 3.42Å; I33-E35 PolarHBondContact O-N 3.25Å; E35-K38 IonicContact OE1-NZ 3.32Å; E35-K38 PolarHBondContact OE1-NZ 2.71Å; E35-K38 IonicContact OE2-NZ 2.66Å; E35-K38 PolarHBondContact OE2-NZ 3.05Å; E35-Q39 VanDerWaalsContact O-CG 3.3Å; E35-Q39 WeakPolarHBondContact O-CG 3.44Å; E35-Q39 PolarHBondContact O-N 2.86Å; E35-Q39 PolarHBondContact OE1-NE2 2.98Å
36L94.1Very high89.2Confident121 Ų121104.9 Ų104.963%0.63450%0.498SS*.Hα-helixtrans-69.7-44.3174.1-171.9149.9000112.3K32 I33 R34 K38 Q39 M40K32-L36 WeakPolarHBondContact O-CB 3.38Å; K32-L36 PolarHBondContact O-N 3.13Å; K32-L36 VanDerWaalsContact O-N 3.09Å; I33-L36 PolarHBondContact O-N 3.16Å; R34-L36 VanDerWaalsContact C-N 3.34Å; L36-K38 VanDerWaalsContact C-N 3.33Å; L36-K38 PolarHBondContact O-N 3.09Å; L36-Q39 PolarHBondContact O-N 3.1Å; L36-M40 PolarHBondContact O-N 2.83Å
37E90.7Very high87.3Confident98 Ų98103.7 Ų103.746%0.45850%0.499SS..Hα-helixtrans-54.4-49.1171.3176.7-174.1-146.100110.6I33 Q39 M40 E41I33-E37 WeakPolarHBondContact O-CB 3.38Å; I33-E37 PolarHBondContact O-N 2.65Å; E37-Q39 PolarHBondContact O-N 3.49Å; E37-M40 PolarHBondContact O-N 2.9Å; E37-E41 WeakPolarHBondContact O-CB 3.45Å; E37-E41 PolarHBondContact O-N 3.49Å
38K93.1Very high85.5Confident93 Ų93105.1 Ų105.140%0.40450%0.504SS..Hα-helixtrans-62-41.8177.1170.9172.1144.5-77.70112.6R34 E35 L36 E41 D42R34-K38 WeakPolarHBondContact O-CB 3.36Å; R34-K38 PolarHBondContact O-N 3.42Å; E35-K38 IonicContact OE1-NZ 3.32Å; E35-K38 PolarHBondContact OE1-NZ 2.71Å; E35-K38 IonicContact OE2-NZ 2.66Å; E35-K38 PolarHBondContact OE2-NZ 3.05Å; L36-K38 VanDerWaalsContact C-N 3.33Å; L36-K38 PolarHBondContact O-N 3.09Å; K38-E41 PolarHBondContact O-N 2.9Å; K38-D42 WeakPolarHBondContact O-CB 3.49Å; K38-D42 PolarHBondContact O-N 3.27Å
39Q90.1Very high83.6Confident120 Ų120110 Ų11056%0.56151%0.513SS*.Hα-helixtrans-66.6-39177.2-75174.627.100112.2E35 L36 E37 A43E35-Q39 VanDerWaalsContact O-CG 3.3Å; E35-Q39 WeakPolarHBondContact O-CG 3.44Å; E35-Q39 PolarHBondContact O-N 2.86Å; E35-Q39 PolarHBondContact OE1-NE2 2.98Å; L36-Q39 PolarHBondContact O-N 3.1Å; E37-Q39 PolarHBondContact O-N 3.49Å; Q39-A43 WeakPolarHBondContact O-CB 3.23Å; Q39-A43 PolarHBondContact O-N 3.01Å
40M86Confident81.7Confident129 Ų129115.9 Ų115.964%0.63554%0.536SS*.Hα-helixtrans-63.4-43.9171.7-179.1-179.467.100111.6L36 E37 A43 Y44L36-M40 PolarHBondContact O-N 2.83Å; E37-M40 PolarHBondContact O-N 2.9Å; M40-A43 PolarHBondContact O-N 3.03Å; M40-Y44 WeakPolarHBondContact O-CB 3.05Å; M40-Y44 PolarHBondContact O-N 3.21Å
41E85.2Confident79.7Confident89 Ų89117.7 Ų117.742%0.41655%0.545SS..Hα-helixtrans-67.3-42.7179-170.4179.4-156.200112.1E37 K38 A43 Y44 R45E37-E41 WeakPolarHBondContact O-CB 3.45Å; E37-E41 PolarHBondContact O-N 3.49Å; K38-E41 PolarHBondContact O-N 2.9Å; E41-A43 VanDerWaalsContact C-N 3.32Å; E41-A43 PolarHBondContact O-N 2.9Å; E41-Y44 PolarHBondContact O-N 3.42Å; E41-R45 VanDerWaalsContact CD-NE 3.27Å; E41-R45 HydrophobicContact CG-CG 4.14Å; E41-R45 VanDerWaalsContact O-CB 3.27Å; E41-R45 WeakPolarHBondContact O-CB 3.33Å; E41-R45 VanDerWaalsContact O-CG 3.29Å; E41-R45 WeakPolarHBondContact O-CG 3.43Å; E41-R45 PolarHBondContact O-N 2.81Å; E41-R45 IonicContact OE1-CZ 3.19Å; E41-R45 IonicContact OE1-NE 3.84Å; E41-R45 PolarHBondContact OE1-NE 2.78Å; E41-R45 IonicContact OE1-NH2 2.85Å; E41-R45 PolarHBondContact OE1-NH2 3.33Å
42D81.6Confident77.6Confident84 Ų84115.4 Ų115.445%0.44955%0.545SS..Hα-helixtrans-67-32175.8-100-40.7000112.2K38 G46 R49K38-D42 WeakPolarHBondContact O-CB 3.49Å; K38-D42 PolarHBondContact O-N 3.27Å; D42-G46 VanDerWaalsContact O-CA 3.31Å; D42-G46 WeakPolarHBondContact O-CA 3.46Å; D42-G46 PolarHBondContact O-N 3.47Å; D42-R49 IonicContact OD1-NH2 2.76Å; D42-R49 PolarHBondContact OD1-NH2 3.33Å
43A82.7Confident75.5Confident61 Ų61114.5 Ų114.550%0.50455%0.553SS.*Hα-helixtrans-64.5-49.417000000111.4Q39 M40 E41 G46 T47Q39-A43 WeakPolarHBondContact O-CB 3.23Å; Q39-A43 PolarHBondContact O-N 3.01Å; M40-A43 PolarHBondContact O-N 3.03Å; E41-A43 VanDerWaalsContact C-N 3.32Å; E41-A43 PolarHBondContact O-N 2.9Å; A43-G46 WeakPolarHBondContact O-CA 3.45Å; A43-G46 PolarHBondContact O-N 3.02Å; A43-G46 VanDerWaalsContact O-N 3.13Å; A43-T47 PolarHBondContact O-N 3.35Å; A43-T47 PolarHBondContact O-OG1 3.02Å
44Y71.1Confident73.6Confident148 Ų148115 Ų11558%0.5857%0.567SS**Hα-helixtrans-62.4-46.4178.7-172.9-100.1000112.5M40 E41 G46 T47 K48M40-Y44 WeakPolarHBondContact O-CB 3.05Å; M40-Y44 PolarHBondContact O-N 3.21Å; E41-Y44 PolarHBondContact O-N 3.42Å; Y44-G46 VanDerWaalsContact C-N 3.28Å; Y44-G46 PolarHBondContact O-N 3.39Å; Y44-T47 PolarHBondContact O-N 2.83Å; Y44-K48 HydrophobicContact CD1-CD 4.35Å; Y44-K48 HydrophobicContact CE1-CD 3.79Å; Y44-K48 PolarHBondContact O-N 2.83Å; Y44-K48 WeakPolarHBondContact OH-CE 3.24Å; Y44-K48 PolarHBondContact OH-NZ 3.3Å
45R67.9Low71.6Confident134 Ų134113 Ų11351%0.50658%0.576SS.*Hα-helixtrans-69.1-25.3173.7-68.6-179.4-178.8-84.3-0.6112.3E41 R49E41-R45 VanDerWaalsContact CD-NE 3.27Å; E41-R45 HydrophobicContact CG-CG 4.14Å; E41-R45 VanDerWaalsContact O-CB 3.27Å; E41-R45 WeakPolarHBondContact O-CB 3.33Å; E41-R45 VanDerWaalsContact O-CG 3.29Å; E41-R45 WeakPolarHBondContact O-CG 3.43Å; E41-R45 PolarHBondContact O-N 2.81Å; E41-R45 IonicContact OE1-CZ 3.19Å; E41-R45 IonicContact OE1-NE 3.84Å; E41-R45 PolarHBondContact OE1-NE 2.78Å; E41-R45 IonicContact OE1-NH2 2.85Å; E41-R45 PolarHBondContact OE1-NH2 3.33Å; R45-R49 VanDerWaalsContact O-CB 3.25Å; R45-R49 WeakPolarHBondContact O-CB 3.46Å; R45-R49 VanDerWaalsContact O-CG 3.27Å; R45-R49 WeakPolarHBondContact O-CG 3.24Å; R45-R49 PolarHBondContact O-N 2.66Å; R45-R49 PolarHBondContact O-NE 2.76Å
46G63.9Low70Confident24 Ų24113.7 Ų113.725%0.24759%0.59CS.*Hα-helixtrans-70.6-40.117400000112.2D42 A43 Y44 K50D42-G46 VanDerWaalsContact O-CA 3.31Å; D42-G46 WeakPolarHBondContact O-CA 3.46Å; D42-G46 PolarHBondContact O-N 3.47Å; A43-G46 WeakPolarHBondContact O-CA 3.45Å; A43-G46 PolarHBondContact O-N 3.02Å; A43-G46 VanDerWaalsContact O-N 3.13Å; Y44-G46 VanDerWaalsContact C-N 3.28Å; Y44-G46 PolarHBondContact O-N 3.39Å; G46-K50 WeakPolarHBondContact O-CG 3.44Å
47T58.8Low68.1Low92 Ų92113.2 Ų113.256%0.56460%0.596SS**Hα-helixtrans-68.2-51.1171.6-60.10000111.1A43 Y44 R49 K50A43-T47 PolarHBondContact O-N 3.35Å; A43-T47 PolarHBondContact O-OG1 3.02Å; Y44-T47 PolarHBondContact O-N 2.83Å; T47-R49 VanDerWaalsContact C-N 3.34Å; T47-R49 PolarHBondContact O-N 3.32Å; T47-K50 PolarHBondContact O-N 3.46Å; T47-K50 VanDerWaalsContact O-N 3.08Å
48K57.9Low66.4Low114 Ų114117.7 Ų117.750%0.49661%0.609SS.*Hα-helixtrans-63.7-33.1-178.1-75.3-169.8166.2-177.40114Y44 K50 M51Y44-K48 HydrophobicContact CD1-CD 4.35Å; Y44-K48 HydrophobicContact CE1-CD 3.79Å; Y44-K48 PolarHBondContact O-N 2.83Å; Y44-K48 WeakPolarHBondContact OH-CE 3.24Å; Y44-K48 PolarHBondContact OH-NZ 3.3Å; K48-K50 PolarHBondContact O-N 3.14Å; K48-M51 PolarHBondContact O-N 3.42Å
49R56.4Low64.9Low166 Ų166122.4 Ų122.463%0.62664%0.635SS**THydrogen-bonded Turntrans-70.8-11.3174.9-79.2-179.6-74-176.9-6.8114.8D42 R45 T47D42-R49 IonicContact OD1-NH2 2.76Å; D42-R49 PolarHBondContact OD1-NH2 3.33Å; R45-R49 VanDerWaalsContact O-CB 3.25Å; R45-R49 WeakPolarHBondContact O-CB 3.46Å; R45-R49 VanDerWaalsContact O-CG 3.27Å; R45-R49 WeakPolarHBondContact O-CG 3.24Å; R45-R49 PolarHBondContact O-N 2.66Å; R45-R49 PolarHBondContact O-NE 2.76Å; T47-R49 VanDerWaalsContact C-N 3.34Å; T47-R49 PolarHBondContact O-N 3.32Å
50K57.5Low63.5Low180 Ų180125.9 Ų125.978%0.78364%0.643SS**THydrogen-bonded Turntrans-91.3-15.2175.4-69.2173.1-177.5-179.20113.6G46 T47 K48G46-K50 WeakPolarHBondContact O-CG 3.44Å; T47-K50 PolarHBondContact O-N 3.46Å; T47-K50 VanDerWaalsContact O-N 3.08Å; K48-K50 PolarHBondContact O-N 3.14Å
51M55.3Low62Low156 Ų156125.3 Ų125.377%0.76865%0.652SS**SBendtrans-107.16.3-173.1-64.2-59.5-166.700114.2K48K48-M51 PolarHBondContact O-N 3.42Å
52L54.3Low61.1Low134 Ų134128.6 Ų128.670%0.70267%0.672SS**SBendtrans-132.9125.6179.4-72.9170.6000110.6
53P52.5Low59.6Low118 Ų118128 Ų12877%0.76669%0.685SS**  trans-64.1142168.328.6-33.4000109.5S55P53-S55 PolarHBondContact O-N 3.24Å
54S56.3Low58.1Low125 Ų125132.7 Ų132.787%0.87469%0.694SS**  trans-74.674.1-175.3-169.30000111.8S56S54-S56 PolarHBondContact O-N 3.29Å
55S53.6Low57.6Low109 Ų109130.3 Ų130.376%0.76269%0.692SS**  trans-73.475.8175.4-161.90000110.6P53P53-S55 PolarHBondContact O-N 3.24Å
56S61.2Low56.9Low92 Ų92129.9 Ų129.964%0.64370%0.696SS**  trans-66.5146.7168179.80000110.3S54S54-S56 PolarHBondContact O-N 3.29Å
57S54.5Low56.3Low111 Ų111134.1 Ų134.178%0.77671%0.709SS**  trans5389.517352.40000116.1
58R54Low56.2Low192 Ų192133 Ų13373%0.72571%0.705SS**  trans-130.492.9149.5-139.4177.6-160.1-1787.3109.6R60R58-R60 PolarHBondContact O-N 3.2Å
59M61.3Low56.1Low192 Ų192132.8 Ų132.895%0.94671%0.706SS**  trans-67.8116.7164.9-73171.361.500107.6
60R62Low55.9Low194 Ų194132.6 Ų132.673%0.73271%0.705SS**  trans-133.7106.6164.4-77.1-165.2163.1177.5-8.7108.8R58R58-R60 PolarHBondContact O-N 3.2Å
61S54.8Low55.7Low117 Ų117130.6 Ų130.682%0.81870%0.703SS**  trans-88.2138.316248.60000108.4
62D64.8Low55.3Low158 Ų158132.2 Ų132.285%0.84570%0.702SS**  trans66.1157.8-179.6-143-17.5000115.5
63G51.8Low54.9Low70 Ų70135.7 Ų135.772%0.72271%0.706SS**  trans117.749.5-161.300000112.4D65G63-D65 PolarHBondContact O-N 3.01Å
64F51.1Low54.7Low160 Ų160139.3 Ų139.370%0.70270%0.704SS**  trans-72.9105.5166.5178.4-100.2000109.3E66F64-E66 HydrophobicContact CD1-CG 4.31Å; F64-E66 HydrophobicContact CE1-CG 3.51Å; F64-E66 HydrophobicContact CZ-CG 4.01Å
65D59.3Low54.4Low99 Ų99138 Ų13853%0.52969%0.692SS.*  trans-110.5111.4178.9172.921.7000109.5G63 E67G63-D65 PolarHBondContact O-N 3.01Å; D65-E67 VanDerWaalsContact C-N 3.26Å; D65-E67 PolarHBondContact O-N 3.39Å; D65-E67 WeakPolarHBondContact OD1-CB 3.16Å; D65-E67 PolarHBondContact OD1-N 3.09Å; D65-E67 VanDerWaalsContact OD1-N 3.07Å
66E53Low54.1Low125 Ų125140.2 Ų140.258%0.58469%0.688SS**SBendtrans-66.9-25.6-179.8-70.3-163.4136.300112.8F64 S68 Q69F64-E66 HydrophobicContact CD1-CG 4.31Å; F64-E66 HydrophobicContact CE1-CG 3.51Å; F64-E66 HydrophobicContact CZ-CG 4.01Å; E66-S68 VanDerWaalsContact C-N 3.34Å; E66-S68 PolarHBondContact O-N 3.44Å; E66-Q69 WeakPolarHBondContact O-CB 3.47Å; E66-Q69 PolarHBondContact O-N 2.97Å; E66-Q69 VanDerWaalsContact O-N 3.11Å
67E51.6Low53.8Low113 Ų113141.4 Ų141.453%0.52869%0.688SS.*Hα-helixtrans-66.6-40.2-177.2-154.968.8-9000110.7D65 Q69 R70D65-E67 VanDerWaalsContact C-N 3.26Å; D65-E67 PolarHBondContact O-N 3.39Å; D65-E67 WeakPolarHBondContact OD1-CB 3.16Å; D65-E67 PolarHBondContact OD1-N 3.09Å; D65-E67 VanDerWaalsContact OD1-N 3.07Å; E67-Q69 PolarHBondContact O-N 3.39Å; E67-R70 PolarHBondContact O-N 2.87Å; E67-R70 IonicContact OE1-CZ 2.78Å; E67-R70 IonicContact OE1-NE 3.43Å; E67-R70 PolarHBondContact OE1-NE 3.04Å; E67-R70 IonicContact OE1-NH2 2.66Å; E67-R70 PolarHBondContact OE1-NH2 3.05Å; E67-R70 IonicContact OE2-NH2 3.14Å
68S57.6Low53.6Low68 Ų68143.4 Ų143.448%0.47668%0.684SS.*Hα-helixtrans-58.4-18.9174.5-177.30000113.9E66 Y72E66-S68 VanDerWaalsContact C-N 3.34Å; E66-S68 PolarHBondContact O-N 3.44Å; S68-Y72 PolarHBondContact O-N 2.91Å
69Q54.4Low53.4Low109 Ų109141 Ų14151%0.50968%0.684SS.*Hα-helixtrans-83.4-26-177.2-159.6172.72700113E66 E67 Y72E66-Q69 WeakPolarHBondContact O-CB 3.47Å; E66-Q69 PolarHBondContact O-N 2.97Å; E66-Q69 VanDerWaalsContact O-N 3.11Å; E67-Q69 PolarHBondContact O-N 3.39Å; Q69-Y72 PolarHBondContact O-N 3.28Å
70R52.6Low53Low162 Ų162133.9 Ų133.961%0.61165%0.654SS**Hα-helixtrans-68.7-42.3174.8-78.7-173.9-90-98.44.8111.8E67 Y72E67-R70 PolarHBondContact O-N 2.87Å; E67-R70 IonicContact OE1-CZ 2.78Å; E67-R70 IonicContact OE1-NE 3.43Å; E67-R70 PolarHBondContact OE1-NE 3.04Å; E67-R70 IonicContact OE1-NH2 2.66Å; E67-R70 PolarHBondContact OE1-NH2 3.05Å; E67-R70 IonicContact OE2-NH2 3.14Å; R70-Y72 VanDerWaalsContact C-N 3.27Å; R70-Y72 PolarHBondContact O-N 3Å
71D52.8Low52.6Low138 Ų138127.8 Ų127.874%0.73865%0.651SS**Hα-helixtrans-71.8-17.5176-80.7-3.5000113.6
72Y48.1Very low52.8Low191 Ų191127 Ų12775%0.74964%0.642SS**Hα-helixtrans-79.1-23.4-179.1-148-93.6000113.9S68 Q69 R70S68-Y72 PolarHBondContact O-N 2.91Å; Q69-Y72 PolarHBondContact O-N 3.28Å; R70-Y72 VanDerWaalsContact C-N 3.27Å; R70-Y72 PolarHBondContact O-N 3Å
73W45.8Very low52.5Low207 Ų207126 Ų12678%0.78464%0.635SS**Hα-helixtrans-99.4-13.2-178.2-70.5112.2000114.5
74R47.3Very low53Low194 Ų194126.9 Ų126.973%0.73262%0.621SS**SBendtrans-97.4114.4168.6-176.3179.6-68.7-94.93.5108.6K76R74-K76 PolarHBondContact O-N 3.41Å
75P50.6Low54Low97 Ų97123.2 Ų123.263%0.6361%0.608SS**  trans-54.3129.6173.6-26.135.3000110.9N77P75-N77 PolarHBondContact O-N 2.64Å; P75-N77 PolarHBondContact O-OD1 2.92Å
76K48.2Very low55Low156 Ų156123.4 Ų123.468%0.67861%0.609SS**  trans-73.698.3178-176.1150.9179.2154.60109.1R74 E78R74-K76 PolarHBondContact O-N 3.41Å; K76-E78 VanDerWaalsContact CE-OE1 3.27Å; K76-E78 WeakPolarHBondContact CE-OE1 3.21Å; K76-E78 WeakPolarHBondContact CE-OE2 3.3Å; K76-E78 HydrophobicContact CG-CG 4.38Å; K76-E78 IonicContact NZ-OE1 2.75Å; K76-E78 IonicContact NZ-OE2 3.9Å; K76-E78 PolarHBondContact O-N 3.31Å
77N54.9Low56.1Low117 Ų117123.7 Ų123.763%0.62661%0.609SS**THydrogen-bonded Turntrans-74.531.2-163.2-80.5-15000116P75 S80P75-N77 PolarHBondContact O-N 2.64Å; P75-N77 PolarHBondContact O-OD1 2.92Å; N77-S80 VanDerWaalsContact CA-OG 3.29Å; N77-S80 WeakPolarHBondContact CA-OG 3.33Å; N77-S80 PolarHBondContact OD1-OG 3.46Å; N77-S80 VanDerWaalsContact OD1-OG 3.11Å
78E49.5Very low57.6Low152 Ų152122.6 Ų122.671%0.7161%0.607SS**THydrogen-bonded Turntrans-97.2-2-175.6-66.9166.2-177.600113K76K76-E78 VanDerWaalsContact CE-OE1 3.27Å; K76-E78 WeakPolarHBondContact CE-OE1 3.21Å; K76-E78 WeakPolarHBondContact CE-OE2 3.3Å; K76-E78 HydrophobicContact CG-CG 4.38Å; K76-E78 IonicContact NZ-OE1 2.75Å; K76-E78 IonicContact NZ-OE2 3.9Å; K76-E78 PolarHBondContact O-N 3.31Å
79I50.9Low58.9Low141 Ų141122.6 Ų122.672%0.72360%0.598SS**SBendtrans-123.48.4173.1-37.2-178.9000110.6G81I79-G81 VanDerWaalsContact C-N 3.26Å; I79-G81 PolarHBondContact O-N 2.7Å; I79-G81 VanDerWaalsContact O-N 3.14Å
80S51.9Low60.4Low44 Ų44119.5 Ų119.531%0.30859%0.591SS.*Hα-helixtrans-78.13.7-165.7-59.40000115.6N77 E84N77-S80 VanDerWaalsContact CA-OG 3.29Å; N77-S80 WeakPolarHBondContact CA-OG 3.33Å; N77-S80 PolarHBondContact OD1-OG 3.46Å; N77-S80 VanDerWaalsContact OD1-OG 3.11Å; S80-E84 VanDerWaalsContact O-CB 3.24Å; S80-E84 WeakPolarHBondContact O-CB 3.16Å
81G53.5Low62.1Low65 Ų65118.6 Ų118.667%0.6759%0.591SS**Hα-helixtrans-68-40.1177.500000113.8I79I79-G81 VanDerWaalsContact C-N 3.26Å; I79-G81 PolarHBondContact O-N 2.7Å; I79-G81 VanDerWaalsContact O-N 3.14Å
82T59.3Low63.9Low101 Ų101115.2 Ų115.262%0.6258%0.579SS**Hα-helixtrans-101-37.4-171.653.10000113.8D86T82-D86 PolarHBondContact O-N 2.82Å
83L57.5Low66Low136 Ų136114 Ų11471%0.71257%0.573SS**Hα-helixtrans-73-33.9-179-172.6148.3000112.2F87L83-F87 WeakPolarHBondContact O-CB 3.29Å; L83-F87 PolarHBondContact O-N 3.25Å
84E63.8Low68.2Low89 Ų89108.3 Ų108.342%0.41656%0.558SS.*Hα-helixtrans-72.9-42.2175-128.7-68.9140.600110.4S80 D86 F87 L88S80-E84 VanDerWaalsContact O-CB 3.24Å; S80-E84 WeakPolarHBondContact O-CB 3.16Å; E84-D86 VanDerWaalsContact C-N 3.32Å; E84-D86 PolarHBondContact O-N 2.96Å; E84-F87 CarbonylContact O-C 3.57Å; E84-F87 WeakPolarHBondContact O-CA 3.37Å; E84-F87 WeakPolarHBondContact O-CB 3.49Å; E84-F87 PolarHBondContact O-N 3.25Å; E84-L88 WeakPolarHBondContact O-CB 3.34Å; E84-L88 WeakPolarHBondContact O-CG 3.29Å; E84-L88 PolarHBondContact O-N 2.96Å; E84-L88 VanDerWaalsContact OE2-CD1 3.22Å; E84-L88 WeakPolarHBondContact OE2-CD1 3.43Å; E84-L88 WeakPolarHBondContact OE2-CG 3.27Å
85D71.1Confident70.3Confident83 Ų83105.4 Ų105.444%0.44455%0.551SS.*Hα-helixtrans-60.1-37170.8177.249.5000112.6K89D85-K89 VanDerWaalsContact C-NZ 3.33Å; D85-K89 WeakPolarHBondContact O-CB 3.45Å; D85-K89 PolarHBondContact O-N 2.75Å; D85-K89 PolarHBondContact O-NZ 2.89Å; D85-K89 IonicContact OD1-NZ 2.75Å; D85-K89 PolarHBondContact OD1-NZ 2.99Å; D85-K89 IonicContact OD2-NZ 2.7Å; D85-K89 PolarHBondContact OD2-NZ 3.46Å
86D80.3Confident72.3Confident103 Ų103105.7 Ų105.755%0.55154%0.542SS*.Hα-helixtrans-71-29.4171.9-87.9-8.4000113.5T82 E84 K89 A90T82-D86 PolarHBondContact O-N 2.82Å; E84-D86 VanDerWaalsContact C-N 3.32Å; E84-D86 PolarHBondContact O-N 2.96Å; D86-K89 IonicContact OD1-NZ 2.64Å; D86-K89 PolarHBondContact OD1-NZ 3.26Å; D86-A90 VanDerWaalsContact O-CB 3.29Å; D86-A90 WeakPolarHBondContact O-CB 3.27Å; D86-A90 PolarHBondContact O-N 2.83Å
87F77.3Confident74.2Confident132 Ų132102.5 Ų102.558%0.57953%0.532SS*.Hα-helixtrans-73.2-44173.1-172.4-105.5000112.3L83 E84 K89 A90 K91L83-F87 WeakPolarHBondContact O-CB 3.29Å; L83-F87 PolarHBondContact O-N 3.25Å; E84-F87 CarbonylContact O-C 3.57Å; E84-F87 WeakPolarHBondContact O-CA 3.37Å; E84-F87 WeakPolarHBondContact O-CB 3.49Å; E84-F87 PolarHBondContact O-N 3.25Å; F87-K89 VanDerWaalsContact C-N 3.33Å; F87-K89 PolarHBondContact O-N 2.79Å; F87-A90 PolarHBondContact O-N 2.91Å; F87-K91 WeakPolarHBondContact O-CB 3.45Å; F87-K91 PolarHBondContact O-N 3.4Å
88L82.8Confident75.7Confident90 Ų90103.8 Ų103.847%0.47153%0.529SS..Hα-helixtrans-59.3-43.1170.9-73.8170.9000111.4E84 K91 S92E84-L88 WeakPolarHBondContact O-CB 3.34Å; E84-L88 WeakPolarHBondContact O-CG 3.29Å; E84-L88 PolarHBondContact O-N 2.96Å; E84-L88 VanDerWaalsContact OE2-CD1 3.22Å; E84-L88 WeakPolarHBondContact OE2-CD1 3.43Å; E84-L88 WeakPolarHBondContact OE2-CG 3.27Å; L88-K91 CarbonylContact O-C 3.6Å; L88-K91 WeakPolarHBondContact O-CB 3.49Å; L88-K91 PolarHBondContact O-N 3.23Å; L88-S92 WeakPolarHBondContact O-CB 3.36Å; L88-S92 PolarHBondContact O-N 2.94Å; L88-S92 PolarHBondContact O-OG 3.45Å
89K84.6Confident77.5Confident67 Ų67100.6 Ų100.629%0.29152%0.517SS..Hα-helixtrans-65-44.9175.7-172-178.4-54.687.40111.3D85 D86 F87 K91 S92 W93D85-K89 VanDerWaalsContact C-NZ 3.33Å; D85-K89 WeakPolarHBondContact O-CB 3.45Å; D85-K89 PolarHBondContact O-N 2.75Å; D85-K89 PolarHBondContact O-NZ 2.89Å; D85-K89 IonicContact OD1-NZ 2.75Å; D85-K89 PolarHBondContact OD1-NZ 2.99Å; D85-K89 IonicContact OD2-NZ 2.7Å; D85-K89 PolarHBondContact OD2-NZ 3.46Å; D86-K89 IonicContact OD1-NZ 2.64Å; D86-K89 PolarHBondContact OD1-NZ 3.26Å; F87-K89 VanDerWaalsContact C-N 3.33Å; F87-K89 PolarHBondContact O-N 2.79Å; K89-K91 VanDerWaalsContact C-N 3.3Å; K89-K91 PolarHBondContact O-N 3.46Å; K89-S92 PolarHBondContact O-N 3.39Å; K89-S92 PolarHBondContact O-OG 2.88Å; K89-W93 PolarHBondContact O-N 3.41Å
90A85.1Confident79.2Confident45 Ų45101.6 Ų101.637%0.37251%0.513SS..Hα-helixtrans-59.6-41.3172.200000111.8D86 F87 N94D86-A90 VanDerWaalsContact O-CB 3.29Å; D86-A90 WeakPolarHBondContact O-CB 3.27Å; D86-A90 PolarHBondContact O-N 2.83Å; F87-A90 PolarHBondContact O-N 2.91Å; A90-N94 PolarHBondContact O-N 2.78Å; A90-N94 PolarHBondContact O-ND2 3.32Å
91K89.1Confident80.8Confident142 Ų142102.8 Ų102.862%0.61751%0.513SS*.Hα-helixtrans-66.1-37.7176.6-169.9176.8-179.2-178.50112.4F87 L88 K89 N94 K95F87-K91 WeakPolarHBondContact O-CB 3.45Å; F87-K91 PolarHBondContact O-N 3.4Å; L88-K91 CarbonylContact O-C 3.6Å; L88-K91 WeakPolarHBondContact O-CB 3.49Å; L88-K91 PolarHBondContact O-N 3.23Å; K89-K91 VanDerWaalsContact C-N 3.3Å; K89-K91 PolarHBondContact O-N 3.46Å; K91-N94 PolarHBondContact O-N 3.34Å; K91-K95 PolarHBondContact O-N 3.49Å
92S90.3Very high82.3Confident68 Ų68103.5 Ų103.548%0.47651%0.513SS..Hα-helixtrans-75.1-34.3177.271.70000112.8L88 K89 K95 K96L88-S92 WeakPolarHBondContact O-CB 3.36Å; L88-S92 PolarHBondContact O-N 2.94Å; L88-S92 PolarHBondContact O-OG 3.45Å; K89-S92 PolarHBondContact O-N 3.39Å; K89-S92 PolarHBondContact O-OG 2.88Å; S92-K95 PolarHBondContact O-N 3.02Å; S92-K96 VanDerWaalsContact O-CB 3.27Å; S92-K96 WeakPolarHBondContact O-CB 3.48Å; S92-K96 PolarHBondContact O-N 3.28Å
93W93.1Very high83.5Confident165 Ų165105 Ų10563%0.62552%0.517SS*.Hα-helixtrans-61.6-44167.4-77.5115.3000111.9K89 K96 L97K89-W93 PolarHBondContact O-N 3.41Å; W93-K96 PolarHBondContact O-N 3.41Å; W93-L97 WeakPolarHBondContact O-CB 3.43Å; W93-L97 PolarHBondContact O-N 2.66Å
94N90.4Very high84.6Confident87 Ų87104.1 Ų104.147%0.46551%0.511SS..Hα-helixtrans-62.2-46174.4-83.6-85.1000111.5A90 K91 K96 L97 Y98A90-N94 PolarHBondContact O-N 2.78Å; A90-N94 PolarHBondContact O-ND2 3.32Å; K91-N94 PolarHBondContact O-N 3.34Å; N94-K96 PolarHBondContact O-N 2.85Å; N94-L97 WeakPolarHBondContact O-CB 3.48Å; N94-L97 PolarHBondContact O-N 2.83Å; N94-Y98 WeakPolarHBondContact O-CD2 3.25Å; N94-Y98 PolarHBondContact O-N 2.86Å
95K91.6Very high85.3Confident133 Ų133106.2 Ų106.258%0.57853%0.532SS*.Hα-helixtrans-57.1-50.1175-167.9-157.6167.6-170.90111K91 S92 L97 Y98 D99K91-K95 PolarHBondContact O-N 3.49Å; S92-K95 PolarHBondContact O-N 3.02Å; K95-L97 PolarHBondContact O-N 2.82Å; K95-Y98 WeakPolarHBondContact O-CB 3.47Å; K95-Y98 PolarHBondContact O-N 3.41Å; K95-D99 WeakPolarHBondContact CE-OD2 3.48Å; K95-D99 PolarHBondContact O-N 3.27Å
96K92.7Very high85.7Confident103 Ų103108.8 Ų108.845%0.44855%0.546SS..Hα-helixtrans-60.2-33.2179.8-173.9166.7-177.8168.50112.6S92 W93 N94 Y100S92-K96 VanDerWaalsContact O-CB 3.27Å; S92-K96 WeakPolarHBondContact O-CB 3.48Å; S92-K96 PolarHBondContact O-N 3.28Å; W93-K96 PolarHBondContact O-N 3.41Å; N94-K96 PolarHBondContact O-N 2.85Å; K96-Y100 HydrophobicContact CD-CE2 4.47Å; K96-Y100 HydrophobicContact CG-CD2 4.01Å; K96-Y100 HydrophobicContact CG-CE2 3.95Å; K96-Y100 VanDerWaalsContact O-CD2 3.24Å; K96-Y100 WeakPolarHBondContact O-CD2 2.98Å; K96-Y100 PolarHBondContact O-N 3.04Å
97L89.6Confident85.5Confident89 Ų89109.2 Ų109.247%0.46654%0.54SS..Hα-helixtrans-65-50171.8-176.1153.2000110.9W93 N94 K95 D99 Y100 E101W93-L97 WeakPolarHBondContact O-CB 3.43Å; W93-L97 PolarHBondContact O-N 2.66Å; N94-L97 WeakPolarHBondContact O-CB 3.48Å; N94-L97 PolarHBondContact O-N 2.83Å; K95-L97 PolarHBondContact O-N 2.82Å; L97-D99 VanDerWaalsContact C-N 3.33Å; L97-D99 PolarHBondContact O-N 2.89Å; L97-Y100 PolarHBondContact O-N 3.24Å; L97-E101 VanDerWaalsContact CD2-CD 3.44Å; L97-E101 HydrophobicContact CD2-CG 4.07Å; L97-E101 WeakPolarHBondContact O-CG 3.48Å; L97-E101 PolarHBondContact O-N 3.47Å
98Y85.5Confident85.2Confident145 Ų145114.6 Ų114.657%0.56956%0.556SS**Hα-helixtrans-58.7-42.3174.2-73.9-68.4000112.6N94 K95 E101 A102N94-Y98 WeakPolarHBondContact O-CD2 3.25Å; N94-Y98 PolarHBondContact O-N 2.86Å; K95-Y98 WeakPolarHBondContact O-CB 3.47Å; K95-Y98 PolarHBondContact O-N 3.41Å; Y98-E101 PolarHBondContact O-N 3.33Å; Y98-A102 VanDerWaalsContact O-CB 3.24Å; Y98-A102 WeakPolarHBondContact O-CB 3.27Å; Y98-A102 PolarHBondContact O-N 2.85Å
99D87.4Confident84.6Confident84 Ų84112.1 Ų112.145%0.44955%0.552SS.*Hα-helixtrans-61-45178-62.2-31.1000110.8K95 L97 N103K95-D99 WeakPolarHBondContact CE-OD2 3.48Å; K95-D99 PolarHBondContact O-N 3.27Å; L97-D99 VanDerWaalsContact C-N 3.33Å; L97-D99 PolarHBondContact O-N 2.89Å; D99-N103 PolarHBondContact O-N 3.39Å
100Y87.4Confident83.6Confident163 Ų163116 Ų11664%0.63957%0.571SS**Hα-helixtrans-63.9-48.3174.5-91.9-63.5000112.7K96 L97 A102 N103 M104K96-Y100 HydrophobicContact CD-CE2 4.47Å; K96-Y100 HydrophobicContact CG-CD2 4.01Å; K96-Y100 HydrophobicContact CG-CE2 3.95Å; K96-Y100 VanDerWaalsContact O-CD2 3.24Å; K96-Y100 WeakPolarHBondContact O-CD2 2.98Å; K96-Y100 PolarHBondContact O-N 3.04Å; L97-Y100 PolarHBondContact O-N 3.24Å; Y100-A102 VanDerWaalsContact C-N 3.29Å; Y100-A102 PolarHBondContact O-N 3.43Å; Y100-N103 PolarHBondContact O-N 2.79Å; Y100-N103 VanDerWaalsContact O-N 3.14Å; Y100-M104 PolarHBondContact O-N 3.29Å
101E84.8Confident82.7Confident69 Ų69119.6 Ų119.632%0.32259%0.593SS.*Hα-helixtrans-65.2-33.6-179-68.4-177.714300112L97 Y98 N103 M104 R107L97-E101 VanDerWaalsContact CD2-CD 3.44Å; L97-E101 HydrophobicContact CD2-CG 4.07Å; L97-E101 WeakPolarHBondContact O-CG 3.48Å; L97-E101 PolarHBondContact O-N 3.47Å; Y98-E101 PolarHBondContact O-N 3.33Å; E101-N103 VanDerWaalsContact C-N 3.29Å; E101-M104 PolarHBondContact O-N 2.96Å; E101-R107 VanDerWaalsContact CB-CZ 3.49Å; E101-R107 WeakPolarHBondContact O-CD 3.22Å; E101-R107 IonicContact OE1-NH2 2.69Å; E101-R107 IonicContact OE2-CZ 3Å; E101-R107 IonicContact OE2-NH1 2.65Å; E101-R107 PolarHBondContact OE2-NH1 2.95Å; E101-R107 IonicContact OE2-NH2 3.25Å; E101-R107 PolarHBondContact OE2-NH2 3.36Å
102A83.9Confident81.6Confident80 Ų80116.4 Ų116.466%0.66160%0.601SS**Hα-helixtrans-69.2-26174.500000112.9Y98 Y100 M104Y98-A102 VanDerWaalsContact O-CB 3.24Å; Y98-A102 WeakPolarHBondContact O-CB 3.27Å; Y98-A102 PolarHBondContact O-N 2.85Å; Y100-A102 VanDerWaalsContact C-N 3.29Å; Y100-A102 PolarHBondContact O-N 3.43Å; A102-M104 VanDerWaalsContact C-N 3.29Å
103N86.3Confident80.2Confident133 Ų133119.1 Ų119.171%0.71160%0.602SS**THydrogen-bonded Turntrans-83.50.4175.7-157.8106.8000113D99 Y100 E101 P105D99-N103 PolarHBondContact O-N 3.39Å; Y100-N103 PolarHBondContact O-N 2.79Å; Y100-N103 VanDerWaalsContact O-N 3.14Å; E101-N103 VanDerWaalsContact C-N 3.29Å; N103-P105 WeakPolarHBondContact O-CD 3.31Å
104M79.3Confident79.4Confident116 Ų116118.1 Ų118.157%0.57160%0.602SS**  trans-87.9111.4176.2-69-62.5-67.900110.5Y100 E101 A102 D106 R107Y100-M104 PolarHBondContact O-N 3.29Å; E101-M104 PolarHBondContact O-N 2.96Å; A102-M104 VanDerWaalsContact C-N 3.29Å; M104-D106 PolarHBondContact O-N 3Å; M104-R107 HydrophobicContact CB-CB 4.08Å; M104-R107 WeakPolarHBondContact O-CB 3.43Å; M104-R107 PolarHBondContact O-N 3.03Å
105P77.9Confident79Confident133 Ų133119.3 Ų119.386%0.86461%0.605SS**THydrogen-bonded Turntrans-68.9-19.2-174.228.3-36.1000114N103N103-P105 WeakPolarHBondContact O-CD 3.31Å
106D80.3Confident78.6Confident137 Ų137116.5 Ų116.573%0.73360%0.596SS**THydrogen-bonded Turntrans-87.2-7.7175.3-169.447000112.7M104 W108M104-D106 PolarHBondContact O-N 3Å; D106-W108 PolarHBondContact O-N 2.98Å
107R77.3Confident78.2Confident113 Ų113118 Ų11843%0.42660%0.599SS.*SBendtrans-73.3122.9174.3-173.7-174.9-172.8-171.419.4109.2E101 M104 G109E101-R107 VanDerWaalsContact CB-CZ 3.49Å; E101-R107 WeakPolarHBondContact O-CD 3.22Å; E101-R107 IonicContact OE1-NH2 2.69Å; E101-R107 IonicContact OE2-CZ 3Å; E101-R107 IonicContact OE2-NH1 2.65Å; E101-R107 PolarHBondContact OE2-NH1 2.95Å; E101-R107 IonicContact OE2-NH2 3.25Å; E101-R107 PolarHBondContact OE2-NH2 3.36Å; M104-R107 HydrophobicContact CB-CB 4.08Å; M104-R107 WeakPolarHBondContact O-CB 3.43Å; M104-R107 PolarHBondContact O-N 3.03Å; R107-G109 VanDerWaalsContact C-N 3.27Å; R107-G109 PolarHBondContact O-N 2.88Å
108W70Confident77.9Confident245 Ų245118.8 Ų118.893%0.92861%0.61SS**  trans-6785171.7-60.7-2.6000110.6D106D106-W108 PolarHBondContact O-N 2.98Å
109G69.3Low77.3Confident37 Ų37119.9 Ų119.938%0.38162%0.62SS.*  trans-76.6168.5173.900000112.6R107 S111R107-G109 VanDerWaalsContact C-N 3.27Å; R107-G109 PolarHBondContact O-N 2.88Å; G109-S111 PolarHBondContact O-N 3.49Å; G109-S111 VanDerWaalsContact O-N 3.09Å
110H64.1Low76.8Confident148 Ų148119 Ų11969%0.68561%0.613SS**G310 helixtrans-723.4178.5-59159.4000114.1G112 Y113H110-G112 PolarHBondContact O-N 3.42Å; H110-Y113 HydrophobicContact CB-CE1 3.58Å; H110-Y113 AromaticContact CD2-CE1 3.93Å; H110-Y113 AromaticContact CG-CE1 3.89Å
111S66.4Low76Confident121 Ų121118.1 Ų118.185%0.84661%0.613SS**G310 helixtrans-70.3-8.6177.446.30000114.6G109G109-S111 PolarHBondContact O-N 3.49Å; G109-S111 VanDerWaalsContact O-N 3.09Å
112G65.6Low75.1Confident76 Ų76123.1 Ų123.178%0.78464%0.636SS**G310 helixtrans-90-9.4-176.700000116.2H110H110-G112 PolarHBondContact O-N 3.42Å
113Y61.9Low73.9Confident125 Ų125124.2 Ų124.249%0.4964%0.635SS.*  trans-115.4123.5179.460.7-100.5000111.6H110 E115H110-Y113 HydrophobicContact CB-CE1 3.58Å; H110-Y113 AromaticContact CD2-CE1 3.93Å; H110-Y113 AromaticContact CG-CE1 3.89Å; Y113-E115 HydrophobicContact CD2-CG 3.74Å; Y113-E115 HydrophobicContact CE2-CG 3.65Å; Y113-E115 WeakPolarHBondContact CE2-OE1 3.35Å; Y113-E115 PolarHBondContact O-N 2.78Å
114K75.5Confident72.6Confident143 Ų143125 Ų12562%0.62264%0.639SS**  trans-75.6119.1159.9-174.2-173.8171-158.40106.7L116 E120K114-L116 HydrophobicContact CD-CD1 4.38Å; K114-L116 HydrophobicContact CD-CD2 3.98Å; K114-L116 HydrophobicContact CD-CG 3.82Å; K114-L116 HydrophobicContact CG-CG 4.11Å; K114-L116 VanDerWaalsContact NZ-CD2 3.28Å; K114-L116 PolarHBondContact O-N 2.75Å; K114-E120 WeakPolarHBondContact CE-OE2 3.49Å; K114-E120 IonicContact NZ-OE2 3.6Å; K114-E120 PolarHBondContact NZ-OE2 3.01Å
115E82.8Confident71.5Confident113 Ų113125.2 Ų125.253%0.52865%0.652SS.*  trans-70.873.7168.7-66.9-171174.400109.5Y113 Y117Y113-E115 HydrophobicContact CD2-CG 3.74Å; Y113-E115 HydrophobicContact CE2-CG 3.65Å; Y113-E115 WeakPolarHBondContact CE2-OE1 3.35Å; Y113-E115 PolarHBondContact O-N 2.78Å; E115-Y117 HydrophobicContact CB-CE2 4.21Å; E115-Y117 VanDerWaalsContact O-CD2 3.26Å; E115-Y117 WeakPolarHBondContact O-CD2 3.24Å; E115-Y117 PolarHBondContact O-N 2.67Å; E115-Y117 VanDerWaalsContact O-N 3.16Å; E115-Y117 PolarHBondContact OE2-OH 2.84Å
116L82.7Confident70.4Confident73 Ų73123.5 Ų123.538%0.38264%0.643SS.*  trans-63.7110.6167.4-74.6146.4000107.8K114 E120 F121K114-L116 HydrophobicContact CD-CD1 4.38Å; K114-L116 HydrophobicContact CD-CD2 3.98Å; K114-L116 HydrophobicContact CD-CG 3.82Å; K114-L116 HydrophobicContact CG-CG 4.11Å; K114-L116 VanDerWaalsContact NZ-CD2 3.28Å; K114-L116 PolarHBondContact O-N 2.75Å; L116-E120 HydrophobicContact CD2-CB 3.67Å; L116-F121 HydrophobicContact CB-CD2 4.36Å; L116-F121 HydrophobicContact CB-CE2 3.66Å; L116-F121 HydrophobicContact CB-CZ 3.93Å
117Y84Confident69.2Low135 Ų135123.3 Ų123.353%0.52964%0.642SS.*  trans-67.5154.5168-73.8-98.6000108.9E115 E119 E120 F121E115-Y117 HydrophobicContact CB-CE2 4.21Å; E115-Y117 VanDerWaalsContact O-CD2 3.26Å; E115-Y117 WeakPolarHBondContact O-CD2 3.24Å; E115-Y117 PolarHBondContact O-N 2.67Å; E115-Y117 VanDerWaalsContact O-N 3.16Å; E115-Y117 PolarHBondContact OE2-OH 2.84Å; Y117-E119 PolarHBondContact O-N 3.07Å; Y117-E120 PolarHBondContact N-OE1 3.46Å; Y117-E120 VanDerWaalsContact N-OE1 3.1Å; Y117-E120 WeakPolarHBondContact O-CB 3.41Å; Y117-E120 PolarHBondContact O-N 3.32Å; Y117-F121 WeakPolarHBondContact O-CD2 2.82Å
118P84.4Confident67.9Low105 Ų105127 Ų12768%0.68266%0.664SS**G310 helixtrans-51.2-29177.8-29.937.2000114E120 F121P118-E120 VanDerWaalsContact C-N 3.27Å; P118-E120 PolarHBondContact O-N 2.99Å; P118-F121 PolarHBondContact O-N 3.46Å
119E72.3Confident67Low169 Ų169122.7 Ų122.779%0.7966%0.655SS**G310 helixtrans-64.8-23.6176.1-62.8167.8-175.700113.7Y117 T123Y117-E119 PolarHBondContact O-N 3.07Å; E119-T123 PolarHBondContact O-OG1 3.13Å
120E77.1Confident65.7Low65 Ų65127.3 Ų127.330%0.30467%0.67SS.*G310 helixtrans-89.8-6.6-179.4-63.6-179.7-112.200114.1K114 L116 Y117 P118K114-E120 WeakPolarHBondContact CE-OE2 3.49Å; K114-E120 IonicContact NZ-OE2 3.6Å; K114-E120 PolarHBondContact NZ-OE2 3.01Å; L116-E120 HydrophobicContact CD2-CB 3.67Å; Y117-E120 PolarHBondContact N-OE1 3.46Å; Y117-E120 VanDerWaalsContact N-OE1 3.1Å; Y117-E120 WeakPolarHBondContact O-CB 3.41Å; Y117-E120 PolarHBondContact O-N 3.32Å; P118-E120 VanDerWaalsContact C-N 3.27Å; P118-E120 PolarHBondContact O-N 2.99Å
121F69.5Low65Low144 Ų144127 Ų12763%0.63267%0.672SS**SBendtrans-79.5-20.2-177.4-77.8-96.9000113.7L116 Y117 P118L116-F121 HydrophobicContact CB-CD2 4.36Å; L116-F121 HydrophobicContact CB-CE2 3.66Å; L116-F121 HydrophobicContact CB-CZ 3.93Å; Y117-F121 WeakPolarHBondContact O-CD2 2.82Å; P118-F121 PolarHBondContact O-N 3.46Å
122E67Low63.8Low174 Ų174126.7 Ų126.781%0.81367%0.666SS**SBendtrans-101.1-13.6-176-61.9-177.3178.200112.5
123T59.3Low62.3Low103 Ų103130.4 Ų130.463%0.63267%0.667SS**G310 helixtrans-81.3-26.2-170.6-9.90000114.6E119E119-T123 PolarHBondContact O-OG1 3.13Å
124D58Low61.1Low151 Ų151128 Ų12881%0.80768%0.681SS**G310 helixtrans-85.5-6-172.8-157.734.5000113.4S126D124-S126 VanDerWaalsContact C-N 3.35Å; D124-S126 PolarHBondContact O-N 2.77Å
125S55.8Low59.6Low119 Ų119130.4 Ų130.483%0.83269%0.691SS**G310 helixtrans-86.54.4-174.7-168.90000114.8
126S56Low57.8Low97 Ų97134.3 Ų134.368%0.67871%0.707SS**SBendtrans-114.9-35.5-170.7-166.20000115.3D124D124-S126 VanDerWaalsContact C-N 3.35Å; D124-S126 PolarHBondContact O-N 2.77Å
127D53.6Low55.7Low134 Ų134136.9 Ų136.972%0.71773%0.726SS**  trans-126.260.3-169.1-77.5-59.9000113.2Q129D127-Q129 PolarHBondContact O-N 3.39Å; D127-Q129 VanDerWaalsContact O-N 3.17Å
128Q51.5Low53.9Low189 Ų189135.7 Ų135.788%0.88374%0.737SS**  trans-84.264.4158.8-169.4160.957.700110.4
129Q50.4Low52.1Low156 Ų156136.7 Ų136.773%0.72974%0.743SS**  trans-133.6146.7168.6-68.5-66.6-1900110.3D127D127-Q129 PolarHBondContact O-N 3.39Å; D127-Q129 VanDerWaalsContact O-N 3.17Å
130D41.8Very low50.5Low133 Ų133137.2 Ų137.271%0.71175%0.746SS**  trans57.291.4162.2-64.6-26.9000122.5
131I48.9Very low48.7Very low141 Ų141139 Ų13972%0.72376%0.761SS**  23.7128.3125.940.7160.7000121.8
132T42.2Very low47.6Very low116 Ų116141.5 Ų141.571%0.71277%0.771SS**  trans87.6135.5139.863.30000122.9
133N34.3Very low46.3Very low153 Ų153138.2 Ų138.282%0.81877%0.768SS**  trans60.270.9140-64.7-30000121.8
134G36.9Very low45.3Very low75 Ų75138.2 Ų138.277%0.77377%0.772SS**  70.7153.2116.100000123
135K42.4Very low44.2Very low194 Ų194137.1 Ų137.184%0.84377%0.771SS**  trans68.1102166.3-66.3177.1178.8169.40118.8
136K46.2Very low43.4Very low195 Ų195138.5 Ų138.585%0.84876%0.764SS**  trans71155.4154.3-43.6168.1-176.2-178.70113.1
137T38.1Very low42.5Very low127 Ų127140.5 Ų140.578%0.77976%0.763SS**  cis-139170.31943.10000112
138S47.1Very low42.1Very low109 Ų109136.4 Ų136.476%0.76275%0.745SS**PPolyproline II helixtrans-86.5151.1163.249.90000112.1
139P45.7Very low41.6Very low127 Ų127133.9 Ų133.983%0.82573%0.733SS**PPolyproline II helixtrans-103.3169.4154.6-5.926.3000112.8
140Q39.8Very low41.5Very low179 Ų179134.6 Ų134.684%0.83673%0.733SS**PPolyproline II helixtrans-100.9131.1-175.8-102.7-174.1-24.500113.4
141V38.1Very low41.9Very low104 Ų104135.6 Ų135.663%0.6373%0.733SS**  54.8129.8120.9175.30000120
142K46.7Very low42.3Very low195 Ų195138.5 Ų138.585%0.84874%0.741SS**  trans79.1146.5169.3-68.9153.8-165.7169.80115.1
143S40.1Very low43.1Very low106 Ų106141.7 Ų141.774%0.74175%0.745SS**  cis-159.9164.42.7450000112.4
144S38.3Very low43.9Very low103 Ų103139.7 Ų139.772%0.7274%0.742SS**  trans48125.4145.9-157.90000118.4
145T34.6Very low44.8Very low127 Ų127146.3 Ų146.378%0.77975%0.75SS**  -166.6156.165.2-61.40000112
146H38.5Very low45.6Very low148 Ų148147.1 Ų147.169%0.68575%0.754SS**  trans-54.7131.5175.5158.6-70.2000114.7S148H146-S148 PolarHBondContact NE2-OG 3.35Å
147E38.4Very low46Very low139 Ų139142.8 Ų142.865%0.6575%0.748SS**  trans-143.6140.5145.5-113.4-83.645.400108.9H149E147-H149 IonicContact OE1-CE1 3.39Å; E147-H149 IonicContact OE1-ND1 3.53Å; E147-H149 PolarHBondContact OE1-ND1 2.96Å; E147-H149 IonicContact OE2-CE1 3.92Å; E147-H149 PolarHBondContact OE2-CE1 3.42Å; E147-H149 IonicContact OE2-ND1 2.9Å; E147-H149 PolarHBondContact OE2-ND1 3.39Å; E147-H149 IonicContact OE2-NE2 2.56Å
148S44.3Very low46.5Very low49 Ų49145.2 Ų145.234%0.34375%0.75SS.*  trans-135.564.2-171.464.40000112.8H146 K150H146-S148 PolarHBondContact NE2-OG 3.35Å; S148-K150 VanDerWaalsContact C-N 3.32Å; S148-K150 WeakPolarHBondContact O-CG 3.27Å; S148-K150 PolarHBondContact O-N 3.47Å
149H40.7Very low46.8Very low136 Ų136148.2 Ų148.263%0.6375%0.749SS**  trans-65.279.8179.6-87.126.2000113.6E147 H151E147-H149 IonicContact OE1-CE1 3.39Å; E147-H149 IonicContact OE1-ND1 3.53Å; E147-H149 PolarHBondContact OE1-ND1 2.96Å; E147-H149 IonicContact OE2-CE1 3.92Å; E147-H149 PolarHBondContact OE2-CE1 3.42Å; E147-H149 IonicContact OE2-ND1 2.9Å; E147-H149 PolarHBondContact OE2-ND1 3.39Å; E147-H149 IonicContact OE2-NE2 2.56Å; H149-H151 PolarHBondContact O-N 3.26Å
150K47.8Very low47.2Very low170 Ų170152 Ų15274%0.73975%0.753SS**  trans-71.879.4-178.8-70.9151.6-175.2154.40112.8S148 K152S148-K150 VanDerWaalsContact C-N 3.32Å; S148-K150 WeakPolarHBondContact O-CG 3.27Å; S148-K150 PolarHBondContact O-N 3.47Å; K150-K152 VanDerWaalsContact C-N 3.32Å; K150-K152 PolarHBondContact O-N 3.26Å
151H50.4Low48Very low154 Ų154153.2 Ų153.271%0.71376%0.755SS**  trans-71.180.2173.9-71.4-55000113.6H149 K153H149-H151 PolarHBondContact O-N 3.26Å; H151-K153 PolarHBondContact O-N 3.11Å; H151-K153 VanDerWaalsContact O-N 3.13Å
152K58.7Low48.9Very low202 Ų202156.6 Ų156.688%0.87876%0.764SS**  trans-58.3109.6164.8-73.2177.7177.6172.60110.5K150K150-K152 VanDerWaalsContact C-N 3.32Å; K150-K152 PolarHBondContact O-N 3.26Å
153K57.2Low49.1Very low184 Ų184156.5 Ų156.580%0.876%0.764SS**  trans-128.192.7164.4-72.3-173.8178.41730112.3H151H151-K153 PolarHBondContact O-N 3.11Å; H151-K153 VanDerWaalsContact O-N 3.13Å
154S51.5Low49.8Very low110 Ų110161.4 Ų161.477%0.76977%0.772SS**  trans30.5116.7154.6590000120.3K156S154-K156 PolarHBondContact O-N 2.83Å
155K56.4Low50.3Low214 Ų214168 Ų16893%0.9378%0.781SS**  trans-57.6129.3157-62.6174.4-179.6175.50109.9
156K60Low50.8Low212 Ų212165.8 Ų165.892%0.92277%0.77SS**  trans-117.4107169.8-166.9167.8-173.91720111S154S154-K156 PolarHBondContact O-N 2.83Å
157S54.5Low51.2Low104 Ų104167.2 Ų167.273%0.72778%0.777SS**  trans-107.7112.6-170.954.80000113.3
158H47.9Very low51.9Low178 Ų178169.9 Ų169.982%0.82479%0.787SS**  trans-173.8154.8159.4-110.2-55.2000108.9
159K54.5Low52.1Low172 Ų172177.1 Ų177.175%0.74881%0.812SS**  cis-148.8114.6-1-172.7163.3-174.31670109.6K161K159-K161 PolarHBondContact O-N 3.03Å
160K53.9Low52.4Low207 Ų207178.8 Ų178.890%0.982%0.82SS**  trans-71.187.3179.6-168172.8-173.7172.30111Q162K160-Q162 PolarHBondContact O-N 3.36Å
161K54.7Low52.4Low203 Ų203178.9 Ų178.988%0.88382%0.821SS**  trans-71.2111.4-178.4-165.7173.7-175.8178.50110.4K159K159-K161 PolarHBondContact O-N 3.03Å
162Q57.3Low52.1Low176 Ų176180.3 Ų180.382%0.82283%0.825SS**  trans-72.4161.5-177.6-70.9-165.6-3.200113.5K160K160-Q162 PolarHBondContact O-N 3.36Å
163K51.8Low51.1Low193 Ų193175.6 Ų175.684%0.83982%0.817SS**  trans-52.9141.2172.9-60.3171.5179.71740111.4
164K53.4Low50.4Low209 Ų209174.7 Ų174.791%0.90981%0.813SS**  trans-110.4114.4145-79-161.2172.4-1720108.9
165R50.3Low50.1Low241 Ų241177.7 Ų177.791%0.90981%0.812SS**  trans-120.9107.9177.3176.7-165.1-170.2-163.46.8105.9
166S44.5Very low49Very low80 Ų80174 Ų17456%0.55980%0.798SS**  trans-149.8113.6-165.9490000112.4
167H48Very low48.1Very low179 Ų179167.1 Ų167.183%0.82978%0.781SS**  trans51.7127155.6-40.4-59.8000117.5
168K51.8Low47.1Very low194 Ų194168.2 Ų168.284%0.84378%0.783SS**  cis54.484.626.3-165.2175.7-179.6174.60115.2
169K49.8Very low46.4Very low201 Ų201165.4 Ų165.487%0.87478%0.775SS**  -163.3144.2125.6-109.6172.5-176.8179.80111.3
170Q45.4Very low45.7Very low172 Ų172164.8 Ų164.880%0.80478%0.778SS**  trans-72.6163.4154.5-63.2174.6-24.400107.6
171K47.6Very low44.5Very low172 Ų172161.2 Ų161.275%0.74877%0.774SS**  171154.666.2-153.9-176.9-173.7174.60108.8
172K45.8Very low43.6Very low184 Ų184156.2 Ų156.280%0.877%0.77SS**  trans62.6164.1163.6-79.3-169.3174-167.10115.7
173S37.2Very low42.2Very low102 Ų102155.4 Ų155.471%0.71377%0.771SS**  cis-171.6146.6-30.550.60000109.1
174K41.1Very low41.4Very low165 Ų165151.5 Ų151.572%0.71777%0.769SS**  trans-132.2147.3153.9-154.2-166.4172.8-146.90109.6E176K174-E176 IonicContact NZ-OE1 3.46Å; K174-E176 PolarHBondContact NZ-OE1 3.32Å; K174-E176 IonicContact NZ-OE2 2.67Å; K174-E176 PolarHBondContact NZ-OE2 3.08Å
175K46.1Very low40.4Very low173 Ų173146.6 Ų146.675%0.75276%0.761SS**  trans-136.2133.5175.9-179.7-164.8177.9-153.60106.2
176E33.3Very low39.5Very low136 Ų136140.1 Ų140.164%0.63675%0.752SS**  trans-104.6132.2154.1-105.398.6-16400104.9K174K174-E176 IonicContact NZ-OE1 3.46Å; K174-E176 PolarHBondContact NZ-OE1 3.32Å; K174-E176 IonicContact NZ-OE2 2.67Å; K174-E176 PolarHBondContact NZ-OE2 3.08Å
177A40.7Very low38.9Very low69 Ų69144.7 Ų144.757%0.5776%0.764SS**  63.5126.274.400000111.5
178T34.8Very low37.9Very low126 Ų126144.6 Ų144.677%0.77376%0.762SS**  cis-110.5-177.4-4.662.60000110.2
179D32.5Very low37.2Very low119 Ų119138.4 Ų138.464%0.63674%0.743SS**  cis78.5149.89.4-38.7-65.9000113.7
180I38.8Very low36.7Very low160 Ų160136.7 Ų136.782%0.82174%0.738SS**  cis-101.7-120.89-35.9178.1000111.7
181T29.9Very low36.2Very low132 Ų132136.3 Ų136.381%0.8174%0.737SS**  cis-149-154.53.8-36.60000110
182A34.9Very low35.5Very low97 Ų97134.3 Ų134.380%0.80274%0.739SS**  trans-148.3150.4-161.700000117.9
183D28.1Very low34.8Very low159 Ų159129 Ų12985%0.8574%0.736SS**  trans-161.2171.2138.5-164.911.5000109.6
184S36.1Very low34.6Very low112 Ų112128.5 Ų128.578%0.78374%0.738SS**  trans-154.8132.4-170.2-64.90000118.1
185S31.4Very low34.3Very low106 Ų106127 Ų12774%0.74175%0.748SS**  trans-166.3121.5155.9-143.10000108.8
186S32.7Very low33.8Very low105 Ų105122.1 Ų122.173%0.73475%0.748SS**  72.8130.196.2-48.50000113.5
187E30.4Very low34Very low175 Ų175121.4 Ų121.482%0.81875%0.753SS**  cis-144.2164.57.2-77.8-142.67600111.3
188F28.1Very low33.9Very low178 Ų178129 Ų12978%0.78177%0.766SS**  46.3132.893.9-141.8-122.6000115.7
189S37.6Very low34.1Very low64 Ų64132.2 Ų132.245%0.44877%0.77SS.*  cis-155.5176.7-0.8-158.80000113.1
190E38.7Very low34.4Very low165 Ų165138.7 Ų138.777%0.77179%0.786SS**  trans60.6158.9158.9-79130.1-111.700118.8
191E33.9Very low34.6Very low164 Ų164140.4 Ų140.477%0.76679%0.787SS**  cis-140.3143.714.9-176.6-176.595.400112.9
192T34Very low35.4Very low130 Ų130142.6 Ų142.680%0.79879%0.788SS**  trans60.8141.8162.358.30000122.6
193G29.9Very low36.1Very low71 Ų71143.4 Ų143.473%0.73279%0.785SS**  131.414.8101.100000121.3
194A32.8Very low36.6Very low93 Ų93144.8 Ų144.877%0.76979%0.786SS**  trans12.5147.3160.400000122.8
195S35.1Very low37.2Very low132 Ų132149.2 Ų149.292%0.92379%0.791SS**  trans80.4139.8158.9860000117.9
196G36.4Very low37.9Very low72 Ų72155.8 Ų155.874%0.74280%0.8SS**  trans-143.1142.4172.300000111.5
197T36.6Very low38.5Very low121 Ų121160.3 Ų160.374%0.74281%0.806SS**  trans-146.4122.2169.439.20000114.6
198R40.2Very low39.6Very low227 Ų227162.2 Ų162.286%0.85781%0.812SS**  trans74.9155.2137.5-59.2167.3172.8-176-3.9120.3
199K38.8Very low40.7Very low194 Ų194163.6 Ų163.684%0.84382%0.818SS**  trans7270.1160.8-52-152.5178.9-178.90119.7K201K199-K201 PolarHBondContact O-N 3.14Å
200R38.7Very low40.8Very low256 Ų256166.1 Ų166.197%0.96684%0.835SS**  trans-63.6112.2158.3-174.7-179.9-174.3-179.23.5111.4
201K43.4Very low41.4Very low195 Ų195170.2 Ų170.285%0.84884%0.843SS**PPolyproline II helixtrans-84.6160.3170.5-75.3-174.5176.7178.80112K199K199-K201 PolarHBondContact O-N 3.14Å
202Q46.8Very low41.8Very low179 Ų179172.4 Ų172.484%0.83685%0.85SS**PPolyproline II helixtrans-81138.8180-72.5-79.6-7.700112.3
203P48.5Very low42.8Very low114 Ų114176.3 Ų176.374%0.7486%0.856SS**PPolyproline II helixtrans-84.2147.4171.133-33.1000113
204H38.5Very low43.8Very low188 Ų188178 Ų17887%0.8786%0.857SS**PPolyproline II helixtrans-76.6145.8-174.6-85.3-116.1000114.9
205K48Very low44.3Very low205 Ų205180.8 Ų180.889%0.89186%0.858SS**PPolyproline II helixtrans-79.9118.6167.3-64179.7-179.3178.10110.8
206R46.7Very low44.5Very low244 Ų244184.3 Ų184.392%0.92186%0.857SS**PPolyproline II helixtrans-85.1118.1173.4-64.4176.278.8-179.75.5110.7
207K45Very low44.9Very low200 Ų200189.7 Ų189.787%0.8786%0.86SS**PPolyproline II helixtrans-79.8135168.4-70-175.6177.4-178.90110
208K53.3Low45.3Very low215 Ų215189.7 Ų189.794%0.93586%0.862SS**PPolyproline II helixtrans-78137.2166.6-67.4-176.2177.8-178.40109.4
209K51.6Low44.8Very low207 Ų207182.9 Ų182.990%0.985%0.854SS**PPolyproline II helixtrans-103.7139.4169.1-75.9-172.8175.8-177.20109.7
210S40.8Very low44.7Very low117 Ų117181 Ų18182%0.81885%0.852SS**PPolyproline II helixtrans-80.5151.4169.347.10000111
211R50.7Low44.3Very low250 Ų250178.7 Ų178.794%0.94385%0.85SS**  trans-110.2115.4169.3-63.3178.386.9163.44.5108.1
212K43.1Very low43.9Very low210 Ų210176.9 Ų176.991%0.91385%0.848SS**  trans-75.4156162.4-71.9-173.2175.6-175.30108.9
213K54.5Low43Very low213 Ų213177 Ų17793%0.92685%0.849SS**  trans-132.1125.3174.3-147176.2-175.7-174.90109.3
214S49.5Very low42.3Very low105 Ų105175.8 Ų175.873%0.73485%0.848SS**  trans-103.8171.5172.746.40000108.4
215L43.7Very low42Very low153 Ų153175.8 Ų175.880%0.80185%0.849SS**  cis-160.5156.6-6.3-125.7166.7000106.6
216K39.3Very low41.1Very low205 Ų205169 Ų16989%0.89184%0.837SS**  trans-173.1146.9148.2-107164.5-175.1-1720111.9
217K45.3Very low40.3Very low186 Ų186165.2 Ų165.281%0.80984%0.835SS**  trans-140.7156168.2-82.5-167.3175-1710107.4
218P45.3Very low39.7Very low120 Ų120162.2 Ų162.278%0.77983%0.834SS**  -109.2160.1102.5-12.131.4000112.1
219A30.2Very low38.9Very low84 Ų84156 Ų15669%0.69482%0.817SS**  62.7135.47400000113.4
220L36Very low38.2Very low154 Ų154154 Ų15481%0.80681%0.811SS**  cis-164.3151.1-6.6-113.4172.1000107.5
221F30.2Very low37.9Very low209 Ų209152.3 Ų152.392%0.91780%0.799SS**  trans-179.5172.8145.9-108.4-71.4000111.4
222L34.9Very low37.2Very low157 Ų157146.9 Ų146.982%0.82279%0.789SS**  trans-134.5176.7-166-102.2158.7000111.9
223E28.1Very low36.9Very low181 Ų181143.4 Ų143.485%0.84678%0.78SS**  trans104.7128-179.1-63.4-175.7151.400113.8
224A32.7Very low36.4Very low88 Ų88138.3 Ų138.373%0.72777%0.771SS**  cis81.2135.545.500000112
225E33.3Very low35.9Very low189 Ų189137.7 Ų137.788%0.88377%0.773SS**  cis-156.2171.3-4.6-88.6-111.3121.700108.7
226G29Very low35.3Very low63 Ų63136 Ų13665%0.64977%0.774SS**  trans76164.7159.300000118.7
227N30.4Very low35Very low164 Ų164131.9 Ų131.988%0.87777%0.771SS**  cis-151.5174.74.6-76.2-38.6000112.1
228T31.8Very low34.3Very low136 Ų136128.1 Ų128.183%0.83477%0.768SS**  trans-144.9168.4-170.1-13.80000109.4
229S35.9Very low33.6Very low85 Ų85127.3 Ų127.359%0.59477%0.765SS**  cis-157.8179.316.3-63.70000112
230H36.7Very low33.7Very low166 Ų166132.2 Ų132.277%0.76977%0.773SS**  trans71.4148.4158.3-66.1-63.7000117.4
231S34.3Very low33.5Very low81 Ų81133.9 Ų133.957%0.56678%0.777SS**  cis84.9153.52689.60000114.5
232D37.9Very low33.7Very low135 Ų135129.9 Ų129.972%0.72278%0.775SS**  cis-148.2174.718.6-89.6-58.4000114.7
233D36.8Very low33.6Very low137 Ų137131.7 Ų131.773%0.73378%0.779SS**  trans63.9132.7143.9-94.3-51.3000127.9
234S43.5Very low33.8Very low106 Ų106131.3 Ų131.374%0.74178%0.778SS**  37.4150.5123.7-630000124.1
235A37.5Very low33.8Very low93 Ų93137.6 Ų137.677%0.76978%0.783SS**  cis-172174.3-10.500000113.1
236S32.7Very low33.7Very low117 Ų117135.3 Ų135.382%0.81878%0.776SS**  trans91.1115.1150.9-150.70000124.1
237S32.7Very low34Very low118 Ų118136.5 Ų136.583%0.82577%0.771SS**  trans46.2115.7131.8-166.50000125.5
238S29.4Very low34.4Very low108 Ų108137.7 Ų137.776%0.75577%0.768SS**  trans-168.1126.9137.6-163.20000107.4
239S31.2Very low34.8Very low102 Ų102140.6 Ų140.671%0.71377%0.769SS**  82.8147.161.8-152.10000115.6
240E33.5Very low34.9Very low187 Ų187142.6 Ų142.687%0.87478%0.778SS**  trans83.5152.6168-49.8-164.7162.100119.7
241E31.8Very low35.1Very low190 Ų190144.6 Ų144.689%0.88879%0.785SS**  trans-100.4158.4-171.7-59.8-167.6119.300112.8
242S32.4Very low35.5Very low124 Ų124152.2 Ų152.287%0.86780%0.801SS**  trans-158.4141.4153.8-730000110.8
243E32.8Very low35.8Very low196 Ų196155.6 Ų155.692%0.91681%0.81SS**  trans-82.1-168.9169.2-66-163.2101.800112.3
244E32.3Very low36Very low173 Ų173157.3 Ų157.381%0.80881%0.81SS**  trans94.8152.9160.1-158.4151.5-140.300117.9
245R33.8Very low35.8Very low220 Ų220163.7 Ų163.783%0.8382%0.818SS**  trans-99.1143.5-165.2-45.8127.9176.21700.7108.2
246D30.9Very low35.7Very low140 Ų140165.8 Ų165.875%0.74981%0.812SS**  -151.3157.8126.1-141-36.5000113.4
247T35.2Very low36.1Very low88 Ų88169.8 Ų169.854%0.5482%0.815SS.*  trans-40.9148.4169.257.50000116
248K38.4Very low36.4Very low190 Ų190173.9 Ų173.983%0.82682%0.818SS**  -153.8126.8110.5-98.1126.7-155.4152.70113.2
249K39.9Very low36.7Very low196 Ų196174.6 Ų174.685%0.85282%0.817SS**  trans-75.9124174.5-62.1167.7-177.3168.10109.4
250T39.2Very low36.8Very low128 Ų128178.5 Ų178.579%0.78582%0.824SS**  trans-119.494.1168.351.70000111.6R252T250-R252 PolarHBondContact O-N 3.3Å
251K41.8Very low37Very low208 Ų208174.4 Ų174.490%0.90481%0.812SS**PPolyproline II helixtrans-64.5116.1172.9-67.8178.4178177.40109.7
252R41.8Very low37.5Very low240 Ų240171 Ų17191%0.90681%0.806SS**PPolyproline II helixtrans-97.8128.2167.4-87.4-174.2162.1176.7-4111.7T250 K254T250-R252 PolarHBondContact O-N 3.3Å; R252-K254 PolarHBondContact O-N 3.28Å
253K44.4Very low37.6Very low207 Ų207171.4 Ų171.490%0.980%0.803SS**PPolyproline II helixtrans-48.1123.5-171-92.7172.7169.4169.30114R255K253-R255 PolarHBondContact O-N 3.11Å
254K41Very low37.6Very low172 Ų172166.6 Ų166.675%0.74880%0.797SS**PPolyproline II helixtrans-56.5126.2150.1-170.7-169.6-170.1-165.10107.6R252 E256R252-K254 PolarHBondContact O-N 3.28Å; K254-E256 HydrophobicContact CD-CG 3.91Å; K254-E256 WeakPolarHBondContact CD-OE1 3.29Å; K254-E256 WeakPolarHBondContact CE-OE1 3.42Å; K254-E256 HydrophobicContact CG-CG 4.01Å; K254-E256 IonicContact NZ-OE1 3.22Å; K254-E256 PolarHBondContact NZ-OE1 3.03Å
255R38.5Very low37.9Very low241 Ų241166.3 Ų166.391%0.90980%0.801SS**  trans-120.8100.3171.6-158.3176.7-169.4-174.62.9108.6K253K253-R255 PolarHBondContact O-N 3.11Å
256E35.8Very low37.9Very low136 Ų136161.1 Ų161.164%0.63680%0.798SS**  trans-73.4131.8-170.8-59.9177.1150.200110.9K254K254-E256 HydrophobicContact CD-CG 3.91Å; K254-E256 WeakPolarHBondContact CD-OE1 3.29Å; K254-E256 WeakPolarHBondContact CE-OE1 3.42Å; K254-E256 HydrophobicContact CG-CG 4.01Å; K254-E256 IonicContact NZ-OE1 3.22Å; K254-E256 PolarHBondContact NZ-OE1 3.03Å
257K40.7Very low38.3Very low201 Ų201162.4 Ų162.487%0.87480%0.8SS**  trans-88.8115.3164.4-70.6-176.4177.7-179.40107.3V259K257-V259 PolarHBondContact O-N 3.46Å
258K39.7Very low38.9Very low204 Ų204164.9 Ų164.989%0.88781%0.808SS**  trans-65.6121.6173.6-68.7-170.5175.3-171.60109.1
259V34.6Very low39.1Very low123 Ų123162.6 Ų162.675%0.74580%0.801SS**  trans-74.7138.9163.4177.10000107.4K257K257-V259 PolarHBondContact O-N 3.46Å
260H33.4Very low39.3Very low184 Ų184162 Ų16285%0.85280%0.801SS**  trans-121.3103.1167.4-134.8-50.2000108.8
261T39.2Very low39.7Very low101 Ų101165.8 Ų165.862%0.6280%0.801SS**  trans-97.2133.6171.3-33.40000108.5V263T261-V263 HydrophobicContact CG2-CG2 3.91Å
262P41.3Very low40.2Very low120 Ų120160.4 Ų160.478%0.77979%0.785SS**  trans-107.4128.5150.232.6-24.8000109.4
263V34.8Very low40.6Very low132 Ų132157.1 Ų157.180%0.879%0.786SS**  trans-113.3115170.1175.60000107.9T261T261-V263 HydrophobicContact CG2-CG2 3.91Å
264A32.1Very low41.3Very low95 Ų95155.3 Ų155.379%0.78578%0.778SS**  trans-159.5148.3164.700000108.5
265N38.4Very low41.7Very low166 Ų166157.6 Ų157.689%0.88878%0.782SS**  trans-94.1135.1-174.1-62.9-58.8000112.7
266S35.4Very low43Very low112 Ų112151.5 Ų151.578%0.78377%0.772SS**  trans-158.3114144.342.70000105.9
267E38.3Very low44Very low167 Ų167151.1 Ų151.178%0.7877%0.774SS**  61108.468.8-165.3166.4-168.300112.3
268I48.9Very low44.3Very low140 Ų140152.8 Ų152.872%0.71878%0.775SS**  trans46.598.4163.4-52164.2000116.3
269Q41Very low45Very low142 Ų142153.3 Ų153.366%0.66478%0.777SS**  trans-157.795.1135.1-120.117065.500113.8R271Q269-R271 PolarHBondContact O-N 3.4Å; Q269-R271 VanDerWaalsContact O-N 3.1Å; Q269-R271 VanDerWaalsContact OE1-CZ 3.3Å
270E44.4Very low45.8Very low183 Ų183154 Ų15486%0.85578%0.781SS**  trans-66.4101.8164.7-64.8-169.2132.300110.3T272E270-T272 VanDerWaalsContact C-N 3.26Å; E270-T272 PolarHBondContact O-N 3.07Å
271R47.8Very low46.4Very low207 Ų207149.2 Ų149.278%0.78177%0.774SS**  trans-84.172.7179.1-70.3-168.5172.4-172.8-1.6112.9Q269 N273Q269-R271 PolarHBondContact O-N 3.4Å; Q269-R271 VanDerWaalsContact O-N 3.1Å; Q269-R271 VanDerWaalsContact OE1-CZ 3.3Å; R271-N273 PolarHBondContact O-N 2.69Å
272T53.1Low46.6Very low95 Ų95151 Ų15158%0.58379%0.785SS**  trans6.4107.7147.755.10000117E270 K274E270-T272 VanDerWaalsContact C-N 3.26Å; E270-T272 PolarHBondContact O-N 3.07Å; T272-K274 HydrophobicContact CG2-CD 4.44Å
273N50.3Low46.9Very low172 Ų172152.4 Ų152.492%0.9279%0.786SS**  trans-120.263152.9-103.5-45.9000109.2R271 R275R271-N273 PolarHBondContact O-N 2.69Å; N273-R275 PolarHBondContact O-N 3.24Å
274K57.9Low47.8Very low168 Ų168154.9 Ų154.973%0.7379%0.789SS**  trans-82.6108.2-178.9-67.2-179.6-179.41780109.7T272 T276T272-K274 HydrophobicContact CG2-CD 4.44Å; K274-T276 HydrophobicContact CB-CG2 4.34Å
275R50.3Low48.3Very low221 Ų221161 Ų16183%0.83479%0.791SS**  trans-98.186.3167.7-166.1178-173.9-161.91.8109.8N273 N277N273-R275 PolarHBondContact O-N 3.24Å; R275-N277 PolarHBondContact O-N 2.85Å
276T65.6Low48.7Very low113 Ų113157.6 Ų157.669%0.69378%0.78SS**  trans-82.9102.6-173.8440000112.1K274K274-T276 HydrophobicContact CB-CG2 4.34Å
277N55.9Low49.3Very low127 Ų127157.7 Ų157.768%0.67979%0.788SS**  trans-113.555.6174.7-7646.4000111.1R275R275-N277 PolarHBondContact O-N 2.85Å
278W47.9Very low49.5Very low236 Ų236158.3 Ų158.389%0.89479%0.791SS**  trans-118.3120.2171.9-64.191000108.4V280W278-V280 PolarHBondContact O-N 2.86Å
279K54.4Low49.6Very low215 Ų215157.3 Ų157.394%0.93580%0.796SS**  trans-70.1115.2173.5-71.9-175.4174.3-172.40108
280V51.5Low50.5Low137 Ų137156 Ų15683%0.8380%0.803SS**  trans-72.8133160.7175.20000106.8W278W278-V280 PolarHBondContact O-N 2.86Å
281A45.5Very low51.3Low85 Ų85156.2 Ų156.270%0.70280%0.804SS**  trans-73.8142169.300000108.7D283A281-D283 PolarHBondContact O-N 2.79Å
282T43.8Very low51.5Low137 Ų137154.1 Ų154.184%0.8481%0.809SS**  trans-65.7115.2174.144.80000109.7
283D47.4Very low51.3Low150 Ų150161 Ų16180%0.80284%0.842SS**  trans-110.297.5170-169.75000108.1A281A281-D283 PolarHBondContact O-N 2.79Å
284E54.5Low51.3Low185 Ų185160.5 Ų160.586%0.86484%0.838SS**  trans-140.372.1179.2-74.5-170.3-169.700110.4
285R41.4Very low51Low223 Ų223160.1 Ų160.184%0.84284%0.844SS**SBendtrans-153.3117.6145-158152.4-176.3163.1-0.6115
286S47.8Very low51Low94 Ų94156.7 Ų156.766%0.65784%0.844SS**  trans47.8101.9151.8-58.70000118.4
287A48.1Very low50.1Low114 Ų114159.3 Ų159.394%0.94285%0.853SS**  trans-77.6113.9139.500000108.5
288E42.7Very low49.8Very low180 Ų180161.3 Ų161.384%0.84186%0.864SS**  trans-127.7126.8152.267.5-173.3-17400107.6
289S49.8Very low49.9Very low119 Ų119156.3 Ų156.383%0.83286%0.862SS**  trans-143.7122.5175.2-172.70000106.4
290S59.3Low49.6Very low116 Ų116152.1 Ų152.181%0.81186%0.857SS**  trans-76142.3-179.851.10000111.6
291E62.4Low49.4Very low187 Ų187153.3 Ų153.387%0.87486%0.859SS**  trans-143.1147163.6-148.4158.4124.300107.9
292D52.6Low49.8Very low163 Ų163159 Ų15987%0.87287%0.872SS**  trans-65.5139.6-155.2-60.3-150.9000117.4
293D47.2Very low50.3Low240 Ų240161 Ų161100%1.28388%0.875SS**  -160.10117.5-163.438.1000109.9

Retrieved 293 of 293 residues in 111 ms (Link to these results)