A0A087Y6R4_POEFO Loading...

Regulation of nuclear pre-mRNA domain containing 1B

AlphaFold DB , UniProt , Accession A0A087Y6R4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 328 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
1M51.8Low86.2Confident207 Ų20775.4 Ų75.4100%1.0243%0.425SS*.  0132.90-66.1179.2-164.400107.5S3 H32M1-S3 PolarHBondContact O-N 2.93Å; M1-H32 VanDerWaalsContact SD-CE1 3.57Å
2S61.2Low87Confident87 Ų8775.4 Ų75.461%0.60842%0.418SS*.PPolyproline II helixtrans-58.6132.4179.3-176.20000109.9H33S2-H33 PolarHBondContact O-CE1 3.21Å
3S80.9Confident87.7Confident100 Ų10069.8 Ų69.870%0.69939%0.386SS*.PPolyproline II helixtrans-59.4148.9168.5-174.90000109.7M1M1-S3 PolarHBondContact O-N 2.93Å
4F91.9Very high88.1Confident22 Ų2271.2 Ų71.210%0.09640%0.398CS..PPolyproline II helixtrans-69.4137.4170179.5-97.3000109.7L9 W29 H33 H36 L39 I40F4-L9 HydrophobicContact CE2-CB 4.33Å; F4-L9 HydrophobicContact CE2-CD2 4.38Å; F4-L9 HydrophobicContact CZ-CD2 4.29Å; F4-W29 AromaticContact CD2-CH2 3.57Å; F4-W29 HydrophobicContact CD2-CH2 3.57Å; F4-W29 HydrophobicContact CD2-CZ2 4.29Å; F4-W29 HydrophobicContact CD2-CZ3 4.1Å; F4-W29 AromaticContact CE2-CH2 3.85Å; F4-W29 HydrophobicContact CE2-CH2 3.85Å; F4-W29 HydrophobicContact CE2-CZ3 4.05Å; F4-H33 HydrophobicContact CB-CB 4.33Å; F4-H33 HydrophobicContact CD2-CB 3.81Å; F4-H33 AromaticContact CD2-CG 3.98Å; F4-H33 HydrophobicContact CG-CB 4.32Å; F4-H36 HydrophobicContact CD1-CB 3.74Å; F4-H36 AromaticContact CD1-CD2 3.58Å; F4-H36 AromaticContact CD1-CG 3.49Å; F4-H36 VanDerWaalsContact CD1-CG 3.49Å; F4-H36 HydrophobicContact CE1-CB 3.69Å; F4-H36 AromaticContact CE1-CG 3.95Å; F4-H36 HydrophobicContact CG-CB 4.23Å; F4-H36 AromaticContact CG-CD2 3.59Å; F4-H36 AromaticContact CG-CG 3.95Å; F4-H36 HydrophobicContact CZ-CB 4.13Å; F4-L39 HydrophobicContact CE1-CD2 3.89Å; F4-L39 HydrophobicContact CE1-CG 4.31Å; F4-I40 HydrophobicContact CD2-CD1 4.44Å; F4-I40 HydrophobicContact CD2-CG1 4.48Å; F4-I40 HydrophobicContact CE1-CG1 4.49Å; F4-I40 HydrophobicContact CE2-CD1 3.82Å; F4-I40 HydrophobicContact CE2-CG1 3.45Å; F4-I40 VanDerWaalsContact CE2-CG1 3.45Å; F4-I40 HydrophobicContact CZ-CD1 4.21Å; F4-I40 HydrophobicContact CZ-CG1 3.46Å; F4-I40 VanDerWaalsContact CZ-CG1 3.46Å
5S93.8Very high88.5Confident44 Ų4474.9 Ų74.931%0.30841%0.411SS..  trans-145.1152.3165.373.50000109.7S7 A8 L9S5-S7 VanDerWaalsContact C-N 3.33Å; S5-S7 PolarHBondContact O-N 2.99Å; S5-S7 PolarHBondContact OG-OG 3.2Å; S5-S7 VanDerWaalsContact OG-OG 3.05Å; S5-A8 PolarHBondContact O-N 3.39Å; S5-A8 VanDerWaalsContact OG-CB 3.24Å; S5-A8 WeakPolarHBondContact OG-CB 3.43Å; S5-A8 PolarHBondContact OG-N 3.4Å; S5-A8 VanDerWaalsContact OG-N 3.12Å; S5-L9 PolarHBondContact O-N 2.75Å
6E93.7Very high88.9Confident70 Ų7070.5 Ų70.533%0.32739%0.387SS..Hα-helixtrans-58.8-44.4175.8177.3162.5-170.500111.5A8 L9 E10 V43 R46E6-A8 VanDerWaalsContact C-N 3.31Å; E6-A8 PolarHBondContact O-N 2.76Å; E6-L9 WeakPolarHBondContact O-CB 3.41Å; E6-L9 PolarHBondContact O-N 3.24Å; E6-L9 VanDerWaalsContact O-N 3.13Å; E6-E10 WeakPolarHBondContact O-CG 3.35Å; E6-E10 PolarHBondContact O-N 3.03Å; E6-V43 HydrophobicContact CG-CG2 3.66Å; E6-R46 IonicContact OE1-CZ 2.79Å; E6-R46 IonicContact OE1-NH1 3.55Å; E6-R46 PolarHBondContact OE1-NH1 2.86Å; E6-R46 IonicContact OE1-NH2 2.66Å; E6-R46 PolarHBondContact OE1-NH2 3.37Å
7S93.6Very high89.1Confident77 Ų7769.4 Ų69.454%0.53839%0.385SS..Hα-helixtrans-60.9-35.6176.857.30000113.8S5 K11S5-S7 VanDerWaalsContact C-N 3.33Å; S5-S7 PolarHBondContact O-N 2.99Å; S5-S7 PolarHBondContact OG-OG 3.2Å; S5-S7 VanDerWaalsContact OG-OG 3.05Å; S7-K11 PolarHBondContact O-N 3.38Å
8A94.4Very high89.1Confident25 Ų2571 Ų7121%0.20740%0.402CS..Hα-helixtrans-68.9-37.6176.600000111.4S5 E6 K12S5-A8 PolarHBondContact O-N 3.39Å; S5-A8 VanDerWaalsContact OG-CB 3.24Å; S5-A8 WeakPolarHBondContact OG-CB 3.43Å; S5-A8 PolarHBondContact OG-N 3.4Å; S5-A8 VanDerWaalsContact OG-N 3.12Å; E6-A8 VanDerWaalsContact C-N 3.31Å; E6-A8 PolarHBondContact O-N 2.76Å; A8-K12 WeakPolarHBondContact O-CB 3.36Å; A8-K12 VanDerWaalsContact O-CG 3.27Å; A8-K12 WeakPolarHBondContact O-CG 3.47Å; A8-K12 PolarHBondContact O-N 3.43Å; A8-K12 VanDerWaalsContact O-N 3.1Å
9L96.3Very high89.3Confident0 Ų070.1 Ų70.10%040%0.401CS..Hα-helixtrans-67.1-44.9174.717661000111.3F4 S5 E6 K11 K12 L13 W29 I30 I40 V43F4-L9 HydrophobicContact CE2-CB 4.33Å; F4-L9 HydrophobicContact CE2-CD2 4.38Å; F4-L9 HydrophobicContact CZ-CD2 4.29Å; S5-L9 PolarHBondContact O-N 2.75Å; E6-L9 WeakPolarHBondContact O-CB 3.41Å; E6-L9 PolarHBondContact O-N 3.24Å; E6-L9 VanDerWaalsContact O-N 3.13Å; L9-K11 VanDerWaalsContact C-N 3.33Å; L9-K11 PolarHBondContact O-N 2.85Å; L9-K12 PolarHBondContact O-N 3.44Å; L9-L13 HydrophobicContact CD1-CD1 4Å; L9-L13 HydrophobicContact CD1-CG 3.97Å; L9-L13 HydrophobicContact CG-CD1 3.88Å; L9-L13 HydrophobicContact CG-CG 4.3Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 3.35Å; L9-W29 HydrophobicContact CB-CZ3 4.29Å; L9-W29 HydrophobicContact CD1-CZ3 4.1Å; L9-I30 HydrophobicContact CD1-CD1 4.27Å; L9-I30 HydrophobicContact CD1-CG1 4.29Å; L9-I40 HydrophobicContact CD2-CB 4.1Å; L9-I40 HydrophobicContact CD2-CG1 4.09Å; L9-I40 HydrophobicContact CD2-CG2 3.92Å; L9-V43 HydrophobicContact CD2-CB 3.69Å; L9-V43 HydrophobicContact CD2-CG1 3.69Å; L9-V43 HydrophobicContact CD2-CG2 4.34Å; L9-V43 HydrophobicContact CG-CB 4.49Å; L9-V43 HydrophobicContact CG-CG1 3.95Å
10E95.6Very high89.4Confident62 Ų6272.6 Ų72.629%0.2941%0.409SS..Hα-helixtrans-58-44.8176.7-71.8179.5161.400112.1E6 K12 L13 T14 V43 R46 E47E6-E10 WeakPolarHBondContact O-CG 3.35Å; E6-E10 PolarHBondContact O-N 3.03Å; E10-K12 PolarHBondContact O-N 3.31Å; E10-L13 PolarHBondContact O-N 3.44Å; E10-T14 WeakPolarHBondContact O-CB 3.49Å; E10-T14 PolarHBondContact O-N 3.1Å; E10-T14 PolarHBondContact O-OG1 2.9Å; E10-V43 HydrophobicContact CG-CG1 3.88Å; E10-R46 IonicContact OE1-CZ 3.59Å; E10-R46 IonicContact OE1-NH2 3.91Å; E10-R46 PolarHBondContact OE1-NH2 2.92Å; E10-E47 HydrophobicContact CG-CG 4.41Å
11K95.1Very high89.5Confident135 Ų13576.2 Ų76.259%0.58742%0.422SS*.Hα-helixtrans-60.6-46.2175.7-172.2175.6179179.80111.5S7 L9 L13 T14 E15S7-K11 PolarHBondContact O-N 3.38Å; L9-K11 VanDerWaalsContact C-N 3.33Å; L9-K11 PolarHBondContact O-N 2.85Å; K11-L13 PolarHBondContact O-N 3.39Å; K11-T14 WeakPolarHBondContact O-CB 3.18Å; K11-T14 PolarHBondContact O-N 3.39Å; K11-E15 WeakPolarHBondContact CE-OE1 3.4Å; K11-E15 WeakPolarHBondContact O-CG 3.46Å; K11-E15 PolarHBondContact O-N 2.81Å
12K95.7Very high91.6Very high76 Ų7667.8 Ų67.833%0.3338%0.384SS..Hα-helixtrans-63.6-38.5177.4-74.4175.4180-59.90113.2A8 L9 E10 T14 E15 L16 L26 W29A8-K12 WeakPolarHBondContact O-CB 3.36Å; A8-K12 VanDerWaalsContact O-CG 3.27Å; A8-K12 WeakPolarHBondContact O-CG 3.47Å; A8-K12 PolarHBondContact O-N 3.43Å; A8-K12 VanDerWaalsContact O-N 3.1Å; L9-K12 PolarHBondContact O-N 3.44Å; E10-K12 PolarHBondContact O-N 3.31Å; K12-T14 VanDerWaalsContact C-N 3.32Å; K12-E15 PolarHBondContact O-N 3.17Å; K12-L16 PolarHBondContact O-N 3.48Å; K12-L26 HydrophobicContact CB-CD1 3.64Å; K12-L26 HydrophobicContact CB-CD2 4.33Å; K12-L26 HydrophobicContact CD-CD1 3.8Å; K12-L26 HydrophobicContact CG-CD1 4.23Å; K12-W29 HydrophobicContact CD-CD2 3.81Å; K12-W29 HydrophobicContact CD-CE3 3.76Å; K12-W29 HydrophobicContact CD-CG 4.42Å; K12-W29 HydrophobicContact CD-CH2 4.23Å; K12-W29 HydrophobicContact CD-CZ2 4.28Å; K12-W29 HydrophobicContact CD-CZ3 3.98Å
13L96Very high93.2Very high2 Ų263.9 Ų63.91%0.0136%0.356CS..Hα-helixtrans-68.3-33.1174.5-71.3171.3000111.6L9 E10 K11 E15 L16 L26 V43 E47 R55 F59 L62L9-L13 HydrophobicContact CD1-CD1 4Å; L9-L13 HydrophobicContact CD1-CG 3.97Å; L9-L13 HydrophobicContact CG-CD1 3.88Å; L9-L13 HydrophobicContact CG-CG 4.3Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 WeakPolarHBondContact O-CG 3.46Å; L9-L13 PolarHBondContact O-N 3.35Å; E10-L13 PolarHBondContact O-N 3.44Å; K11-L13 PolarHBondContact O-N 3.39Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-L16 HydrophobicContact CD2-CD2 4.49Å; L13-L16 WeakPolarHBondContact O-CB 3.39Å; L13-L16 PolarHBondContact O-N 2.94Å; L13-L26 HydrophobicContact CD2-CD2 4.03Å; L13-V43 HydrophobicContact CD1-CG1 4.15Å; L13-E47 HydrophobicContact CD1-CB 4Å; L13-E47 HydrophobicContact CD1-CG 4.02Å; L13-R55 PolarHBondContact O-NH2 2.94Å; L13-F59 HydrophobicContact CB-CE1 4.3Å; L13-F59 HydrophobicContact CB-CZ 4.19Å; L13-F59 HydrophobicContact CD1-CE1 4.38Å; L13-F59 HydrophobicContact CD2-CD1 4.37Å; L13-F59 HydrophobicContact CD2-CE1 3.86Å; L13-F59 HydrophobicContact CD2-CZ 4.37Å; L13-F59 HydrophobicContact CG-CE1 4.41Å; L13-L62 HydrophobicContact CD2-CD2 3.7Å
14T94Very high93.9Very high90 Ų9063.7 Ų63.755%0.55234%0.344SS*.Hα-helixtrans-65.6-39.9174.1-57.40000111.3E10 K11 K12 L16 R55E10-T14 WeakPolarHBondContact O-CB 3.49Å; E10-T14 PolarHBondContact O-N 3.1Å; E10-T14 PolarHBondContact O-OG1 2.9Å; K11-T14 WeakPolarHBondContact O-CB 3.18Å; K11-T14 PolarHBondContact O-N 3.39Å; K12-T14 VanDerWaalsContact C-N 3.32Å; T14-L16 VanDerWaalsContact C-N 3.34Å; T14-R55 PolarHBondContact O-NH1 3.43Å; T14-R55 PolarHBondContact O-NH2 3.08Å
15E93.4Very high94.1Very high127 Ų12767 Ų6759%0.59337%0.366SS*.Hα-helixtrans-80.9-8.4178.6-67.1169.9-171.100113.9K11 K12 L13 S17K11-E15 WeakPolarHBondContact CE-OE1 3.4Å; K11-E15 WeakPolarHBondContact O-CG 3.46Å; K11-E15 PolarHBondContact O-N 2.81Å; K12-E15 PolarHBondContact O-N 3.17Å; L13-E15 VanDerWaalsContact C-N 3.34Å; E15-S17 PolarHBondContact O-N 3.33Å
16L94.6Very high94.2Very high4 Ų465.5 Ų65.52%0.02136%0.355CS..  trans-61124.1-179.6179.665.3000111.6K12 L13 T14 V23 L26 R55 T58 F59 L62K12-L16 PolarHBondContact O-N 3.48Å; L13-L16 HydrophobicContact CD2-CD2 4.49Å; L13-L16 WeakPolarHBondContact O-CB 3.39Å; L13-L16 PolarHBondContact O-N 2.94Å; T14-L16 VanDerWaalsContact C-N 3.34Å; L16-V23 HydrophobicContact CD1-CG2 4.16Å; L16-L26 HydrophobicContact CB-CD2 4.36Å; L16-L26 HydrophobicContact CD1-CD2 4.04Å; L16-L26 HydrophobicContact CD2-CD2 4.49Å; L16-R55 PolarHBondContact O-NH2 3.03Å; L16-T58 HydrophobicContact CD1-CG2 4.29Å; L16-T58 HydrophobicContact CD2-CG2 3.92Å; L16-T58 HydrophobicContact CG-CG2 3.75Å; L16-F59 HydrophobicContact CD2-CD2 4.3Å; L16-F59 HydrophobicContact CD2-CE2 4.45Å; L16-L62 HydrophobicContact CD2-CB 4.26Å; L16-L62 HydrophobicContact CD2-CD2 3.93Å
17S92.6Very high94.4Very high51 Ų5162.2 Ų62.236%0.35734%0.34SS..  trans-112.3167.9176.177.80000111.8E15 S19 S22 T58E15-S17 PolarHBondContact O-N 3.33Å; S17-S19 PolarHBondContact O-N 3.31Å; S17-S19 PolarHBondContact OG-N 3.27Å; S17-S19 PolarHBondContact OG-OG 2.86Å; S17-S22 PolarHBondContact N-OG 2.82Å; S17-S22 VanDerWaalsContact N-OG 3.08Å; S17-S22 WeakPolarHBondContact OG-CB 3.35Å; S17-S22 PolarHBondContact OG-OG 3.4Å; S17-T58 WeakPolarHBondContact O-CG2 3.27Å
18S89.8Confident94.5Very high99 Ų9964.6 Ų64.669%0.69235%0.346SS*.SBendtrans-72.20.2177.652.90000114
19S93.2Very high94.5Very high54 Ų5465.4 Ų65.438%0.37834%0.343SS..SBendtrans-74.2140.6178.180.10000111.2S17 Q21 S22 V23S17-S19 PolarHBondContact O-N 3.31Å; S17-S19 PolarHBondContact OG-N 3.27Å; S17-S19 PolarHBondContact OG-OG 2.86Å; S19-Q21 PolarHBondContact O-N 3.48Å; S19-S22 WeakPolarHBondContact O-CB 3.25Å; S19-S22 PolarHBondContact O-N 2.94Å; S19-S22 VanDerWaalsContact OG-CB 3.29Å; S19-S22 WeakPolarHBondContact OG-CB 3.43Å; S19-S22 PolarHBondContact OG-N 3.25Å; S19-V23 PolarHBondContact O-N 3.11Å; S19-V23 VanDerWaalsContact O-N 3.14Å
20Q89.4Confident94.6Very high119 Ų11965.6 Ų65.656%0.55634%0.344SS*.Hα-helixtrans-55.1-40.4179-174.163.916.900111.9V23 Q24Q20-V23 PolarHBondContact O-N 3.07Å; Q20-Q24 HydrophobicContact CG-CG 4.38Å; Q20-Q24 WeakPolarHBondContact O-CB 3.46Å; Q20-Q24 VanDerWaalsContact O-CG 3.31Å; Q20-Q24 WeakPolarHBondContact O-CG 3.3Å; Q20-Q24 PolarHBondContact O-N 3.07Å
21Q92.1Very high94.6Very high150 Ų15063.7 Ų63.770%0.70134%0.336SS*.Hα-helixtrans-64.8-39.7178.9-170.7177.712.600112.3S19 T25S19-Q21 PolarHBondContact O-N 3.48Å; Q21-T25 VanDerWaalsContact O-CB 3.25Å; Q21-T25 WeakPolarHBondContact O-CB 3.43Å; Q21-T25 PolarHBondContact O-N 2.96Å; Q21-T25 PolarHBondContact O-OG1 3.41Å
22S95.6Very high94.5Very high29 Ų2962.4 Ų62.420%0.20333%0.332CS..Hα-helixtrans-63.4-47.9177.2-174.90000110.8S17 S19 T25 L26S17-S22 PolarHBondContact N-OG 2.82Å; S17-S22 VanDerWaalsContact N-OG 3.08Å; S17-S22 WeakPolarHBondContact OG-CB 3.35Å; S17-S22 PolarHBondContact OG-OG 3.4Å; S19-S22 WeakPolarHBondContact O-CB 3.25Å; S19-S22 PolarHBondContact O-N 2.94Å; S19-S22 VanDerWaalsContact OG-CB 3.29Å; S19-S22 WeakPolarHBondContact OG-CB 3.43Å; S19-S22 PolarHBondContact OG-N 3.25Å; S22-T25 PolarHBondContact O-N 2.98Å; S22-L26 PolarHBondContact O-N 2.95Å; S22-L26 VanDerWaalsContact O-N 3.12Å
23V96Very high94.5Very high5 Ų559.8 Ų59.83%0.0332%0.321CS..Hα-helixtrans-60.5-50178.1175.60000111.3L16 S19 Q20 T25 L26 S27 T58 L62 D65L16-V23 HydrophobicContact CD1-CG2 4.16Å; S19-V23 PolarHBondContact O-N 3.11Å; S19-V23 VanDerWaalsContact O-N 3.14Å; Q20-V23 PolarHBondContact O-N 3.07Å; V23-T25 PolarHBondContact O-N 3.28Å; V23-L26 PolarHBondContact O-N 3.49Å; V23-S27 VanDerWaalsContact O-CB 3.23Å; V23-S27 WeakPolarHBondContact O-CB 3.31Å; V23-S27 PolarHBondContact O-N 3Å; V23-T58 HydrophobicContact CG2-CG2 4.26Å; V23-L62 HydrophobicContact CG1-CB 4.41Å; V23-L62 HydrophobicContact CG1-CD1 4.36Å; V23-D65 HydrophobicContact CG1-CB 4.12Å
24Q94.9Very high94.4Very high97 Ų9763.8 Ų63.845%0.45334%0.335SS..Hα-helixtrans-64.7-42.1-178.4-75.5179-18.800112.7Q20 L26 S27 L28Q20-Q24 HydrophobicContact CG-CG 4.38Å; Q20-Q24 WeakPolarHBondContact O-CB 3.46Å; Q20-Q24 VanDerWaalsContact O-CG 3.31Å; Q20-Q24 WeakPolarHBondContact O-CG 3.3Å; Q20-Q24 PolarHBondContact O-N 3.07Å; Q24-L26 VanDerWaalsContact C-N 3.33Å; Q24-L26 PolarHBondContact O-N 3.14Å; Q24-S27 PolarHBondContact O-N 3.12Å; Q24-L28 WeakPolarHBondContact O-CB 3.08Å; Q24-L28 PolarHBondContact O-N 2.97Å
25T95.5Very high94.4Very high91 Ų9168.9 Ų68.956%0.55835%0.35SS*.Hα-helixtrans-62.9-43.5179.9-57.80000110.8Q21 S22 V23 W29Q21-T25 VanDerWaalsContact O-CB 3.25Å; Q21-T25 WeakPolarHBondContact O-CB 3.43Å; Q21-T25 PolarHBondContact O-N 2.96Å; Q21-T25 PolarHBondContact O-OG1 3.41Å; S22-T25 PolarHBondContact O-N 2.98Å; V23-T25 PolarHBondContact O-N 3.28Å; T25-W29 PolarHBondContact O-N 3.09Å
26L96.9Very high94.5Very high13 Ų1366.6 Ų66.67%0.06834%0.339CS..Hα-helixtrans-70-40.9177-176.851.9000112K12 L13 L16 S22 V23 Q24 L28 W29 I30 L62K12-L26 HydrophobicContact CB-CD1 3.64Å; K12-L26 HydrophobicContact CB-CD2 4.33Å; K12-L26 HydrophobicContact CD-CD1 3.8Å; K12-L26 HydrophobicContact CG-CD1 4.23Å; L13-L26 HydrophobicContact CD2-CD2 4.03Å; L16-L26 HydrophobicContact CB-CD2 4.36Å; L16-L26 HydrophobicContact CD1-CD2 4.04Å; L16-L26 HydrophobicContact CD2-CD2 4.49Å; S22-L26 PolarHBondContact O-N 2.95Å; S22-L26 VanDerWaalsContact O-N 3.12Å; V23-L26 PolarHBondContact O-N 3.49Å; Q24-L26 VanDerWaalsContact C-N 3.33Å; Q24-L26 PolarHBondContact O-N 3.14Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 2.93Å; L26-W29 HydrophobicContact CD1-CE3 4.13Å; L26-W29 PolarHBondContact O-N 3.4Å; L26-I30 HydrophobicContact CD1-CD1 4.24Å; L26-I30 HydrophobicContact CD1-CG1 4.25Å; L26-I30 HydrophobicContact CG-CD1 3.98Å; L26-I30 HydrophobicContact CG-CG1 4.45Å; L26-I30 WeakPolarHBondContact O-CG1 3.31Å; L26-I30 PolarHBondContact O-N 3.19Å; L26-L62 HydrophobicContact CB-CD1 4.08Å; L26-L62 HydrophobicContact CD2-CD1 4.31Å; L26-L62 HydrophobicContact CD2-CD2 3.72Å; L26-L62 HydrophobicContact CG-CD1 4.03Å; L26-L62 HydrophobicContact CG-CD2 4.17Å
27S97Very high94.6Very high1 Ų167 Ų671%0.00734%0.343CS..Hα-helixtrans-56.5-47.3175.71760000111.7V23 Q24 W29 I30 I31 D65 V66V23-S27 VanDerWaalsContact O-CB 3.23Å; V23-S27 WeakPolarHBondContact O-CB 3.31Å; V23-S27 PolarHBondContact O-N 3Å; Q24-S27 PolarHBondContact O-N 3.12Å; S27-W29 VanDerWaalsContact C-N 3.32Å; S27-W29 PolarHBondContact O-N 3.44Å; S27-I30 WeakPolarHBondContact O-CB 3.3Å; S27-I30 PolarHBondContact O-N 3.09Å; S27-I30 VanDerWaalsContact O-N 3.17Å; S27-I31 VanDerWaalsContact O-CG1 3.25Å; S27-I31 WeakPolarHBondContact O-CG1 3.43Å; S27-I31 PolarHBondContact O-N 3.05Å; S27-D65 WeakPolarHBondContact CB-OD2 3.39Å; S27-D65 PolarHBondContact OG-OD2 3.41Å; S27-V66 PolarHBondContact OG-N 2.85Å
28L95.8Very high94.7Very high127 Ų12765.8 Ų65.867%0.66534%0.338SS*.Hα-helixtrans-60.8-41.7178-172.667.1000112.1Q24 L26 I31 H32Q24-L28 WeakPolarHBondContact O-CB 3.08Å; Q24-L28 PolarHBondContact O-N 2.97Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 2.93Å; L28-I31 PolarHBondContact O-N 3.43Å; L28-H32 WeakPolarHBondContact O-CB 3.33Å; L28-H32 PolarHBondContact O-N 3.38Å
29W95.9Very high95Very high42 Ų4264.4 Ų64.416%0.15932%0.322CS..Hα-helixtrans-64.2-42.9175.8-174.683.8000111.8F4 L9 K12 T25 L26 S27 H32 H33F4-W29 AromaticContact CD2-CH2 3.57Å; F4-W29 HydrophobicContact CD2-CH2 3.57Å; F4-W29 HydrophobicContact CD2-CZ2 4.29Å; F4-W29 HydrophobicContact CD2-CZ3 4.1Å; F4-W29 AromaticContact CE2-CH2 3.85Å; F4-W29 HydrophobicContact CE2-CH2 3.85Å; F4-W29 HydrophobicContact CE2-CZ3 4.05Å; L9-W29 HydrophobicContact CB-CZ3 4.29Å; L9-W29 HydrophobicContact CD1-CZ3 4.1Å; K12-W29 HydrophobicContact CD-CD2 3.81Å; K12-W29 HydrophobicContact CD-CE3 3.76Å; K12-W29 HydrophobicContact CD-CG 4.42Å; K12-W29 HydrophobicContact CD-CH2 4.23Å; K12-W29 HydrophobicContact CD-CZ2 4.28Å; K12-W29 HydrophobicContact CD-CZ3 3.98Å; T25-W29 PolarHBondContact O-N 3.09Å; L26-W29 HydrophobicContact CD1-CE3 4.13Å; L26-W29 PolarHBondContact O-N 3.4Å; S27-W29 VanDerWaalsContact C-N 3.32Å; S27-W29 PolarHBondContact O-N 3.44Å; W29-H32 WeakPolarHBondContact O-CB 3.3Å; W29-H32 PolarHBondContact O-N 3.1Å; W29-H33 AromaticContact CD2-CD2 3.74Å; W29-H33 AromaticContact CE2-CD2 3.36Å; W29-H33 AromaticContact CE2-NE2 3.44Å; W29-H33 AromaticContact CZ2-CD2 3.56Å; W29-H33 AromaticContact CZ2-NE2 3.64Å; W29-H33 AromaticContact NE1-CD2 3.61Å; W29-H33 AromaticContact NE1-NE2 3.28Å; W29-H33 PolarHBondContact NE1-NE2 2.8Å; W29-H33 PolarHBondContact O-CD2 3.48Å; W29-H33 PolarHBondContact O-N 3.22Å
30I96.6Very high95.2Very high4 Ų461.9 Ų61.92%0.02130%0.304CS..Hα-helixtrans-60.7-47.4175.4-75.9172.2000111L9 L26 S27 H32 H33 R34 I40 L62 V66 F77L9-I30 HydrophobicContact CD1-CD1 4.27Å; L9-I30 HydrophobicContact CD1-CG1 4.29Å; L26-I30 HydrophobicContact CD1-CD1 4.24Å; L26-I30 HydrophobicContact CD1-CG1 4.25Å; L26-I30 HydrophobicContact CG-CD1 3.98Å; L26-I30 HydrophobicContact CG-CG1 4.45Å; L26-I30 WeakPolarHBondContact O-CG1 3.31Å; L26-I30 PolarHBondContact O-N 3.19Å; S27-I30 WeakPolarHBondContact O-CB 3.3Å; S27-I30 PolarHBondContact O-N 3.09Å; S27-I30 VanDerWaalsContact O-N 3.17Å; I30-H32 VanDerWaalsContact C-N 3.29Å; I30-H32 PolarHBondContact O-N 3.37Å; I30-H33 CarbonylContact O-C 3.39Å; I30-H33 PolarHBondContact O-N 3.37Å; I30-R34 PolarHBondContact O-N 3.15Å; I30-I40 HydrophobicContact CD1-CG2 4.35Å; I30-I40 HydrophobicContact CG1-CG2 4.24Å; I30-I40 HydrophobicContact CG2-CD1 4.36Å; I30-I40 HydrophobicContact CG2-CG2 3.86Å; I30-L62 HydrophobicContact CD1-CD1 4.22Å; I30-L62 HydrophobicContact CD1-CD2 3.95Å; I30-L62 HydrophobicContact CD1-CG 4.3Å; I30-V66 HydrophobicContact CB-CG2 4.15Å; I30-V66 HydrophobicContact CD1-CG2 4.22Å; I30-V66 HydrophobicContact CG2-CB 4.49Å; I30-V66 HydrophobicContact CG2-CG1 3.78Å; I30-V66 HydrophobicContact CG2-CG2 3.8Å; I30-F77 HydrophobicContact CG2-CE1 3.7Å; I30-F77 HydrophobicContact CG2-CE2 4.17Å; I30-F77 HydrophobicContact CG2-CZ 3.41Å; I30-F77 VanDerWaalsContact CG2-CZ 3.41Å
31I95.6Very high95.6Very high21 Ų2156.3 Ų56.311%0.10828%0.279CS..Hα-helixtrans-63.5-37.5-179.9-66.5166.1000111S27 L28 H33 R34 V66 N69 K73S27-I31 VanDerWaalsContact O-CG1 3.25Å; S27-I31 WeakPolarHBondContact O-CG1 3.43Å; S27-I31 PolarHBondContact O-N 3.05Å; L28-I31 PolarHBondContact O-N 3.43Å; I31-H33 PolarHBondContact O-N 3.22Å; I31-R34 WeakPolarHBondContact O-CB 2.99Å; I31-R34 PolarHBondContact O-N 3.22Å; I31-V66 HydrophobicContact CG1-CG1 4.35Å; I31-N69 HydrophobicContact CD1-CB 3.52Å; I31-K73 HydrophobicContact CG2-CG 4.31Å
32H94.5Very high95.9Very high109 Ų10956.1 Ų56.151%0.50528%0.275SS..Hα-helixtrans-59.3-37174.5-178.574.6000112M1 L28 W29 I30 R34M1-H32 VanDerWaalsContact SD-CE1 3.57Å; L28-H32 WeakPolarHBondContact O-CB 3.33Å; L28-H32 PolarHBondContact O-N 3.38Å; W29-H32 WeakPolarHBondContact O-CB 3.3Å; W29-H32 PolarHBondContact O-N 3.1Å; I30-H32 VanDerWaalsContact C-N 3.29Å; I30-H32 PolarHBondContact O-N 3.37Å; H32-R34 PolarHBondContact O-N 2.98Å
33H94.4Very high96Very high21 Ų2154.7 Ų54.710%0.09727%0.266CS..THydrogen-bonded Turntrans-94.326.6178.8-65.3-66.6000114.1S2 F4 W29 I30 I31 K35 H36 I40S2-H33 PolarHBondContact O-CE1 3.21Å; F4-H33 HydrophobicContact CB-CB 4.33Å; F4-H33 HydrophobicContact CD2-CB 3.81Å; F4-H33 AromaticContact CD2-CG 3.98Å; F4-H33 HydrophobicContact CG-CB 4.32Å; W29-H33 AromaticContact CD2-CD2 3.74Å; W29-H33 AromaticContact CE2-CD2 3.36Å; W29-H33 AromaticContact CE2-NE2 3.44Å; W29-H33 AromaticContact CZ2-CD2 3.56Å; W29-H33 AromaticContact CZ2-NE2 3.64Å; W29-H33 AromaticContact NE1-CD2 3.61Å; W29-H33 AromaticContact NE1-NE2 3.28Å; W29-H33 PolarHBondContact NE1-NE2 2.8Å; W29-H33 PolarHBondContact O-CD2 3.48Å; W29-H33 PolarHBondContact O-N 3.22Å; I30-H33 CarbonylContact O-C 3.39Å; I30-H33 PolarHBondContact O-N 3.37Å; I31-H33 PolarHBondContact O-N 3.22Å; H33-K35 PolarHBondContact O-N 3.25Å; H33-H36 PolarHBondContact O-N 3.31Å; H33-I40 HydrophobicContact CB-CD1 4.23Å
34R93.8Very high96.1Very high85 Ų8554.6 Ų54.632%0.32127%0.265SS..G310 helixtrans-52.7-24-177.868.4176.4-176.3146.6-12.9116.3I30 I31 H32 H36 S37 K73 E76 F77I30-R34 PolarHBondContact O-N 3.15Å; I31-R34 WeakPolarHBondContact O-CB 2.99Å; I31-R34 PolarHBondContact O-N 3.22Å; H32-R34 PolarHBondContact O-N 2.98Å; R34-H36 PolarHBondContact O-N 3.16Å; R34-S37 VanDerWaalsContact O-CB 3.25Å; R34-S37 WeakPolarHBondContact O-CB 3.36Å; R34-S37 PolarHBondContact O-N 2.95Å; R34-S37 PolarHBondContact O-OG 3.19Å; R34-K73 PolarHBondContact NH1-O 3.15Å; R34-E76 IonicContact CZ-OE1 2.88Å; R34-E76 IonicContact NE-OE1 3.21Å; R34-E76 IonicContact NH1-OE1 2.88Å; R34-E76 PolarHBondContact NH1-OE1 3.34Å; R34-E76 IonicContact NH1-OE2 3.79Å; R34-F77 HydrophobicContact CB-CD2 4.3Å; R34-F77 HydrophobicContact CB-CE2 3.57Å; R34-F77 HydrophobicContact CB-CZ 4.29Å
35K94.2Very high96.2Very high197 Ų19751.3 Ų51.386%0.85725%0.249SC*.G310 helixtrans-58.1-20.3173.7-68.2-172.1176.7-1750112.7H33H33-K35 PolarHBondContact O-N 3.25Å
36H96Very high96.3Very high80 Ų8051 Ų5137%0.3724%0.238SC..G310 helixtrans-106.520.3177-53.5-72000112.5F4 H33 R34 G38 L39 I40F4-H36 HydrophobicContact CD1-CB 3.74Å; F4-H36 AromaticContact CD1-CD2 3.58Å; F4-H36 AromaticContact CD1-CG 3.49Å; F4-H36 VanDerWaalsContact CD1-CG 3.49Å; F4-H36 HydrophobicContact CE1-CB 3.69Å; F4-H36 AromaticContact CE1-CG 3.95Å; F4-H36 HydrophobicContact CG-CB 4.23Å; F4-H36 AromaticContact CG-CD2 3.59Å; F4-H36 AromaticContact CG-CG 3.95Å; F4-H36 HydrophobicContact CZ-CB 4.13Å; H33-H36 PolarHBondContact O-N 3.31Å; R34-H36 PolarHBondContact O-N 3.16Å; H36-G38 VanDerWaalsContact C-N 3.29Å; H36-G38 PolarHBondContact O-N 3.09Å; H36-L39 PolarHBondContact O-N 3.31Å; H36-I40 HydrophobicContact CB-CD1 4.2Å; H36-I40 HydrophobicContact CB-CG1 4.35Å; H36-I40 WeakPolarHBondContact O-CG1 3.26Å; H36-I40 PolarHBondContact O-N 2.97Å
37S96.1Very high96.2Very high13 Ų1351.7 Ų51.79%0.09124%0.241CC..Hα-helixtrans-48.5-47.1-174.859.10000112.9R34 L39 I40 V41 D80R34-S37 VanDerWaalsContact O-CB 3.25Å; R34-S37 WeakPolarHBondContact O-CB 3.36Å; R34-S37 PolarHBondContact O-N 2.95Å; R34-S37 PolarHBondContact O-OG 3.19Å; S37-L39 VanDerWaalsContact C-N 3.33Å; S37-L39 PolarHBondContact O-N 3.48Å; S37-I40 PolarHBondContact O-N 3.45Å; S37-I40 VanDerWaalsContact O-N 3.16Å; S37-V41 WeakPolarHBondContact O-CG2 3.39Å; S37-V41 PolarHBondContact O-N 3.48Å; S37-D80 VanDerWaalsContact C-OD2 3.22Å; S37-D80 WeakPolarHBondContact CB-OD2 3.39Å; S37-D80 PolarHBondContact OG-OD2 3.19Å
38G95.7Very high96.2Very high25 Ų2551.7 Ų51.726%0.25824%0.241SC..Hα-helixtrans-63.8-36.1-178.600000113.4H36 K42 D80H36-G38 VanDerWaalsContact C-N 3.29Å; H36-G38 PolarHBondContact O-N 3.09Å; G38-K42 WeakPolarHBondContact O-CD 3.49Å; G38-K42 WeakPolarHBondContact O-CG 3.39Å; G38-K42 PolarHBondContact O-N 2.83Å; G38-D80 VanDerWaalsContact CA-OD2 3.31Å; G38-D80 WeakPolarHBondContact CA-OD2 3.45Å; G38-D80 PolarHBondContact N-OD2 3.39Å
39L96.3Very high96.1Very high69 Ų6949.5 Ų49.536%0.36123%0.226SC..Hα-helixtrans-74-41.7174.3-179.455.7000110.8F4 H36 S37 V41 K42 V43F4-L39 HydrophobicContact CE1-CD2 3.89Å; F4-L39 HydrophobicContact CE1-CG 4.31Å; H36-L39 PolarHBondContact O-N 3.31Å; S37-L39 VanDerWaalsContact C-N 3.33Å; S37-L39 PolarHBondContact O-N 3.48Å; L39-V41 PolarHBondContact O-N 3.01Å; L39-K42 PolarHBondContact O-N 3.45Å; L39-V43 HydrophobicContact CD1-CG2 4.04Å; L39-V43 HydrophobicContact CG-CG2 4.4Å; L39-V43 VanDerWaalsContact O-CG2 3.25Å; L39-V43 WeakPolarHBondContact O-CG2 3.37Å; L39-V43 PolarHBondContact O-N 3.3Å
40I97.7Very high96Very high1 Ų153.9 Ų53.91%0.00525%0.246CC..Hα-helixtrans-58-47.7177.6-67.4166000111F4 L9 I30 H33 H36 S37 V43 W44 F77F4-I40 HydrophobicContact CD2-CD1 4.44Å; F4-I40 HydrophobicContact CD2-CG1 4.48Å; F4-I40 HydrophobicContact CE1-CG1 4.49Å; F4-I40 HydrophobicContact CE2-CD1 3.82Å; F4-I40 HydrophobicContact CE2-CG1 3.45Å; F4-I40 VanDerWaalsContact CE2-CG1 3.45Å; F4-I40 HydrophobicContact CZ-CD1 4.21Å; F4-I40 HydrophobicContact CZ-CG1 3.46Å; F4-I40 VanDerWaalsContact CZ-CG1 3.46Å; L9-I40 HydrophobicContact CD2-CB 4.1Å; L9-I40 HydrophobicContact CD2-CG1 4.09Å; L9-I40 HydrophobicContact CD2-CG2 3.92Å; I30-I40 HydrophobicContact CD1-CG2 4.35Å; I30-I40 HydrophobicContact CG1-CG2 4.24Å; I30-I40 HydrophobicContact CG2-CD1 4.36Å; I30-I40 HydrophobicContact CG2-CG2 3.86Å; H33-I40 HydrophobicContact CB-CD1 4.23Å; H36-I40 HydrophobicContact CB-CD1 4.2Å; H36-I40 HydrophobicContact CB-CG1 4.35Å; H36-I40 WeakPolarHBondContact O-CG1 3.26Å; H36-I40 PolarHBondContact O-N 2.97Å; S37-I40 PolarHBondContact O-N 3.45Å; S37-I40 VanDerWaalsContact O-N 3.16Å; I40-V43 PolarHBondContact O-N 2.78Å; I40-W44 VanDerWaalsContact O-CB 3.3Å; I40-W44 WeakPolarHBondContact O-CB 3.43Å; I40-W44 PolarHBondContact O-N 3.49Å; I40-F77 HydrophobicContact CB-CE1 4.27Å; I40-F77 HydrophobicContact CD1-CE1 4.3Å; I40-F77 HydrophobicContact CD1-CZ 4.01Å; I40-F77 HydrophobicContact CG2-CE1 4.11Å
41V98Very high95.8Very high3 Ų354.2 Ų54.22%0.01825%0.249CC..Hα-helixtrans-65.5-39.9-179.71740000111.2S37 L39 W44 H45 F77 D80 F81 V84S37-V41 WeakPolarHBondContact O-CG2 3.39Å; S37-V41 PolarHBondContact O-N 3.48Å; L39-V41 PolarHBondContact O-N 3.01Å; V41-W44 PolarHBondContact O-N 3.3Å; V41-H45 VanDerWaalsContact O-CB 3.31Å; V41-H45 WeakPolarHBondContact O-CB 3.29Å; V41-H45 PolarHBondContact O-N 2.87Å; V41-F77 HydrophobicContact CG2-CD1 4.12Å; V41-D80 HydrophobicContact CB-CB 4.15Å; V41-D80 HydrophobicContact CG1-CB 4.45Å; V41-D80 HydrophobicContact CG2-CB 3.75Å; V41-F81 HydrophobicContact CG1-CD1 4.1Å; V41-F81 HydrophobicContact CG1-CE1 4.39Å; V41-F81 HydrophobicContact CG1-CG 4.37Å; V41-F81 HydrophobicContact CG2-CD1 4.26Å; V41-F81 HydrophobicContact CG2-CD2 3.79Å; V41-F81 HydrophobicContact CG2-CE1 4.24Å; V41-F81 HydrophobicContact CG2-CE2 3.75Å; V41-F81 HydrophobicContact CG2-CG 4.04Å; V41-F81 HydrophobicContact CG2-CZ 3.99Å; V41-V84 HydrophobicContact CG1-CB 4.46Å; V41-V84 HydrophobicContact CG1-CG1 4.16Å; V41-V84 HydrophobicContact CG1-CG2 3.44Å; V41-V84 VanDerWaalsContact CG1-CG2 3.44Å
42K97Very high95.5Very high145 Ų14561 Ų6163%0.6328%0.278SS*.Hα-helixtrans-60.4-46.2174.3-76.4172.8-176.4179.50112.2G38 L39 H45 R46G38-K42 WeakPolarHBondContact O-CD 3.49Å; G38-K42 WeakPolarHBondContact O-CG 3.39Å; G38-K42 PolarHBondContact O-N 2.83Å; L39-K42 PolarHBondContact O-N 3.45Å; K42-H45 PolarHBondContact O-N 3.26Å; K42-R46 WeakPolarHBondContact O-CB 3.4Å; K42-R46 PolarHBondContact O-N 2.91Å
43V97.4Very high95.2Very high0 Ų058.4 Ų58.40%027%0.272CS..Hα-helixtrans-67.1-45.9178.6175.80000110.5E6 L9 E10 L13 L39 I40 H45 R46 E47E6-V43 HydrophobicContact CG-CG2 3.66Å; L9-V43 HydrophobicContact CD2-CB 3.69Å; L9-V43 HydrophobicContact CD2-CG1 3.69Å; L9-V43 HydrophobicContact CD2-CG2 4.34Å; L9-V43 HydrophobicContact CG-CB 4.49Å; L9-V43 HydrophobicContact CG-CG1 3.95Å; E10-V43 HydrophobicContact CG-CG1 3.88Å; L13-V43 HydrophobicContact CD1-CG1 4.15Å; L39-V43 HydrophobicContact CD1-CG2 4.04Å; L39-V43 HydrophobicContact CG-CG2 4.4Å; L39-V43 VanDerWaalsContact O-CG2 3.25Å; L39-V43 WeakPolarHBondContact O-CG2 3.37Å; L39-V43 PolarHBondContact O-N 3.3Å; I40-V43 PolarHBondContact O-N 2.78Å; V43-H45 VanDerWaalsContact C-N 3.28Å; V43-H45 PolarHBondContact O-N 3Å; V43-R46 PolarHBondContact O-N 2.94Å; V43-E47 HydrophobicContact CG1-CG 4.22Å; V43-E47 WeakPolarHBondContact O-CB 3.25Å; V43-E47 WeakPolarHBondContact O-CG 3.32Å; V43-E47 PolarHBondContact O-N 3.45Å
44W98.2Very high94.8Very high3 Ų363.7 Ų63.71%0.01130%0.301CS..Hα-helixtrans-53.8-46.2174.6170.689.8000111.5I40 V41 E47 L48 F59 L60 A63 F81 V84 A88I40-W44 VanDerWaalsContact O-CB 3.3Å; I40-W44 WeakPolarHBondContact O-CB 3.43Å; I40-W44 PolarHBondContact O-N 3.49Å; V41-W44 PolarHBondContact O-N 3.3Å; W44-E47 PolarHBondContact O-N 3.12Å; W44-L48 HydrophobicContact CH2-CD2 3.72Å; W44-L48 HydrophobicContact CZ2-CD2 4.02Å; W44-L48 HydrophobicContact CZ3-CD2 4.17Å; W44-L48 VanDerWaalsContact O-CB 3.29Å; W44-L48 WeakPolarHBondContact O-CB 3.32Å; W44-L48 PolarHBondContact O-N 3.26Å; W44-F59 AromaticContact CD1-CD1 3.79Å; W44-F59 HydrophobicContact CZ2-CB 4.44Å; W44-F59 AromaticContact NE1-CD1 3.71Å; W44-F59 PolarHBondContact NE1-O 2.96Å; W44-L60 HydrophobicContact CH2-CD2 4.3Å; W44-L60 HydrophobicContact CZ2-CD2 4.23Å; W44-A63 HydrophobicContact CH2-CB 4.26Å; W44-A63 HydrophobicContact CZ2-CB 3.62Å; W44-F81 AromaticContact CD2-CE1 3.68Å; W44-F81 HydrophobicContact CD2-CE1 3.68Å; W44-F81 HydrophobicContact CD2-CZ 4.4Å; W44-F81 AromaticContact CE2-CE1 3.98Å; W44-F81 HydrophobicContact CE3-CD1 4.19Å; W44-F81 AromaticContact CE3-CE1 3.61Å; W44-F81 HydrophobicContact CE3-CE1 3.61Å; W44-F81 HydrophobicContact CG-CE1 4.26Å; W44-F81 HydrophobicContact CH2-CD1 4.48Å; W44-F81 HydrophobicContact CH2-CE1 4.19Å; W44-F81 HydrophobicContact CZ2-CE1 4.24Å; W44-F81 HydrophobicContact CZ3-CD1 4.11Å; W44-F81 AromaticContact CZ3-CE1 3.88Å; W44-F81 HydrophobicContact CZ3-CE1 3.88Å; W44-V84 HydrophobicContact CE3-CG2 4.37Å; W44-V84 HydrophobicContact CZ3-CG2 3.96Å; W44-A88 HydrophobicContact CH2-CB 3.93Å; W44-A88 HydrophobicContact CZ3-CB 4.09Å
45H97.6Very high94.7Very high27 Ų2762.9 Ų62.913%0.12530%0.298CS..Hα-helixtrans-66.7-42.6-179-177.8-147.4000112V41 K42 V43 L48 K49 V84 D87V41-H45 VanDerWaalsContact O-CB 3.31Å; V41-H45 WeakPolarHBondContact O-CB 3.29Å; V41-H45 PolarHBondContact O-N 2.87Å; K42-H45 PolarHBondContact O-N 3.26Å; V43-H45 VanDerWaalsContact C-N 3.28Å; V43-H45 PolarHBondContact O-N 3Å; H45-L48 PolarHBondContact O-N 3.42Å; H45-K49 VanDerWaalsContact NE2-CE 3.29Å; H45-K49 WeakPolarHBondContact NE2-CE 3.37Å; H45-K49 PolarHBondContact O-N 3.34Å; H45-K49 VanDerWaalsContact O-N 3.16Å; H45-V84 HydrophobicContact CB-CB 4.36Å; H45-V84 HydrophobicContact CB-CG1 4.37Å; H45-D87 IonicContact CE1-OD2 3.67Å; H45-D87 PolarHBondContact CE1-OD2 3.45Å; H45-D87 IonicContact NE2-OD2 2.77Å; H45-D87 PolarHBondContact NE2-OD2 2.89Å; H45-D87 VanDerWaalsContact NE2-OD2 3.16Å
46R97.1Very high94.6Very high86 Ų8653.5 Ų53.533%0.32526%0.258SS..Hα-helixtrans-61.3-45.1175.5-177.6177.966.8-138.50.5111.9E6 E10 K42 V43 K49 K50E6-R46 IonicContact OE1-CZ 2.79Å; E6-R46 IonicContact OE1-NH1 3.55Å; E6-R46 PolarHBondContact OE1-NH1 2.86Å; E6-R46 IonicContact OE1-NH2 2.66Å; E6-R46 PolarHBondContact OE1-NH2 3.37Å; E10-R46 IonicContact OE1-CZ 3.59Å; E10-R46 IonicContact OE1-NH2 3.91Å; E10-R46 PolarHBondContact OE1-NH2 2.92Å; K42-R46 WeakPolarHBondContact O-CB 3.4Å; K42-R46 PolarHBondContact O-N 2.91Å; V43-R46 PolarHBondContact O-N 2.94Å; R46-K49 PolarHBondContact O-N 2.77Å; R46-K50 WeakPolarHBondContact O-CG 3.19Å; R46-K50 PolarHBondContact O-N 3.21Å
47E96.3Very high94.4Very high27 Ų2751 Ų5113%0.12625%0.246CC..Hα-helixtrans-74-31.9-179.3-64.6-48.4118.500112.4E10 L13 V43 W44 K49 K50 A51 F59E10-E47 HydrophobicContact CG-CG 4.41Å; L13-E47 HydrophobicContact CD1-CB 4Å; L13-E47 HydrophobicContact CD1-CG 4.02Å; V43-E47 HydrophobicContact CG1-CG 4.22Å; V43-E47 WeakPolarHBondContact O-CB 3.25Å; V43-E47 WeakPolarHBondContact O-CG 3.32Å; V43-E47 PolarHBondContact O-N 3.45Å; W44-E47 PolarHBondContact O-N 3.12Å; E47-K49 VanDerWaalsContact C-N 3.31Å; E47-K49 PolarHBondContact O-N 3.37Å; E47-K50 PolarHBondContact O-N 3.02Å; E47-K50 IonicContact OE1-NZ 2.86Å; E47-K50 PolarHBondContact OE1-NZ 2.97Å; E47-A51 WeakPolarHBondContact O-CB 3.41Å; E47-A51 PolarHBondContact O-N 3.28Å; E47-F59 HydrophobicContact CB-CE1 3.88Å; E47-F59 HydrophobicContact CB-CZ 4.24Å
48L96.3Very high94.4Very high0 Ų050.9 Ų50.90%025%0.245CC..Hα-helixtrans-57.1-45.9169.6170.970.1000111W44 H45 K50 A51 K56 F59 A88 V92W44-L48 HydrophobicContact CH2-CD2 3.72Å; W44-L48 HydrophobicContact CZ2-CD2 4.02Å; W44-L48 HydrophobicContact CZ3-CD2 4.17Å; W44-L48 VanDerWaalsContact O-CB 3.29Å; W44-L48 WeakPolarHBondContact O-CB 3.32Å; W44-L48 PolarHBondContact O-N 3.26Å; H45-L48 PolarHBondContact O-N 3.42Å; L48-K50 VanDerWaalsContact C-N 3.3Å; L48-K50 PolarHBondContact O-N 2.91Å; L48-A51 PolarHBondContact O-N 3.29Å; L48-K56 HydrophobicContact CD1-CB 3.93Å; L48-K56 HydrophobicContact CD1-CG 4.17Å; L48-F59 HydrophobicContact CB-CB 4.47Å; L48-F59 HydrophobicContact CB-CD1 3.88Å; L48-F59 HydrophobicContact CB-CE1 4.45Å; L48-F59 HydrophobicContact CB-CG 4.34Å; L48-F59 HydrophobicContact CD1-CB 3.5Å; L48-F59 VanDerWaalsContact CD1-CB 3.5Å; L48-F59 HydrophobicContact CD1-CD1 4.38Å; L48-F59 HydrophobicContact CD1-CG 3.99Å; L48-A88 HydrophobicContact CD2-CB 3.62Å; L48-V92 HydrophobicContact CD1-CG2 3.85Å; L48-V92 HydrophobicContact CD2-CG2 4.17Å; L48-V92 HydrophobicContact CG-CG2 4.34Å
49K94.1Very high94.4Very high81 Ų8149.8 Ų49.835%0.35223%0.234SC..Hα-helixtrans-65-33.3179.7-74.3-170.5167.7-175.90113H45 R46 E47 D87 H91H45-K49 VanDerWaalsContact NE2-CE 3.29Å; H45-K49 WeakPolarHBondContact NE2-CE 3.37Å; H45-K49 PolarHBondContact O-N 3.34Å; H45-K49 VanDerWaalsContact O-N 3.16Å; R46-K49 PolarHBondContact O-N 2.77Å; E47-K49 VanDerWaalsContact C-N 3.31Å; E47-K49 PolarHBondContact O-N 3.37Å; K49-D87 WeakPolarHBondContact CE-OD2 3.32Å; K49-D87 VanDerWaalsContact NZ-CG 3.26Å; K49-D87 IonicContact NZ-OD1 3.21Å; K49-D87 PolarHBondContact NZ-OD1 3.49Å; K49-D87 IonicContact NZ-OD2 2.82Å; K49-D87 PolarHBondContact NZ-OD2 3.5Å; K49-H91 WeakPolarHBondContact CA-NE2 3.31Å
50K93.1Very high94.4Very high134 Ų13446.9 Ų46.958%0.58322%0.218SC*.Hα-helixtrans-79.6-22.7176.1-66.3173.4-175169.80113.5R46 E47 L48R46-K50 WeakPolarHBondContact O-CG 3.19Å; R46-K50 PolarHBondContact O-N 3.21Å; E47-K50 PolarHBondContact O-N 3.02Å; E47-K50 IonicContact OE1-NZ 2.86Å; E47-K50 PolarHBondContact OE1-NZ 2.97Å; L48-K50 VanDerWaalsContact C-N 3.3Å; L48-K50 PolarHBondContact O-N 2.91Å
51A91.6Very high94.3Very high11 Ų1150.6 Ų50.69%0.09123%0.233CC..SBendtrans-67.8143.5-175.600000111.8E47 L48 R55 K56 F59E47-A51 WeakPolarHBondContact O-CB 3.41Å; E47-A51 PolarHBondContact O-N 3.28Å; L48-A51 PolarHBondContact O-N 3.29Å; A51-R55 HydrophobicContact CB-CB 4.31Å; A51-K56 VanDerWaalsContact O-CE 3.26Å; A51-K56 WeakPolarHBondContact O-CE 3.27Å; A51-K56 PolarHBondContact O-NZ 3.35Å; A51-K56 VanDerWaalsContact O-NZ 3.14Å; A51-F59 HydrophobicContact CB-CD2 4.38Å; A51-F59 HydrophobicContact CB-CE2 3.89Å; A51-F59 HydrophobicContact CB-CZ 4.27Å
52K89.9Confident94.3Very high163 Ų16350.6 Ų50.671%0.70923%0.233SC*.  trans-59.3149.8172.6-63.2-175.8178.6-1760110.8N54 R55 K56K52-N54 VanDerWaalsContact C-N 3.26Å; K52-N54 WeakPolarHBondContact CB-OD1 3.2Å; K52-N54 PolarHBondContact O-N 3.03Å; K52-N54 VanDerWaalsContact O-N 3.11Å; K52-R55 PolarHBondContact O-N 3.4Å; K52-K56 PolarHBondContact O-N 3.44Å
53S88Confident94.3Very high55 Ų5543.7 Ų43.739%0.38520%0.202SC..Hα-helixtrans-47.8-43.6-176.5-44.40000113.7R55 K56 E95S53-R55 PolarHBondContact O-N 3.34Å; S53-K56 PolarHBondContact O-N 3.25Å; S53-E95 WeakPolarHBondContact CB-O 3.49Å; S53-E95 PolarHBondContact OG-O 3.29Å
54N86.3Confident94.2Very high133 Ų13344.6 Ų44.671%0.71121%0.208SC*.Hα-helixtrans-68.7-11.7-18070.1-26.8000115.2K52K52-N54 VanDerWaalsContact C-N 3.26Å; K52-N54 WeakPolarHBondContact CB-OD1 3.2Å; K52-N54 PolarHBondContact O-N 3.03Å; K52-N54 VanDerWaalsContact O-N 3.11Å
55R91.8Very high94.1Very high67 Ų6745.3 Ų45.325%0.25321%0.212SC..Hα-helixtrans-101.7-18.3176.8-64.4-170.770-153.4-3.3113L13 T14 L16 A51 K52 S53 L57 T58 F59L13-R55 PolarHBondContact O-NH2 2.94Å; T14-R55 PolarHBondContact O-NH1 3.43Å; T14-R55 PolarHBondContact O-NH2 3.08Å; L16-R55 PolarHBondContact O-NH2 3.03Å; A51-R55 HydrophobicContact CB-CB 4.31Å; K52-R55 PolarHBondContact O-N 3.4Å; S53-R55 PolarHBondContact O-N 3.34Å; R55-L57 VanDerWaalsContact C-N 3.3Å; R55-L57 PolarHBondContact O-N 3.15Å; R55-T58 VanDerWaalsContact O-CB 3.27Å; R55-T58 WeakPolarHBondContact O-CB 3.5Å; R55-T58 PolarHBondContact O-N 3.23Å; R55-F59 WeakPolarHBondContact O-CD2 3.47Å; R55-F59 PolarHBondContact O-N 2.91Å
56K92.8Very high94Very high1 Ų144 Ų440%0.00421%0.206CC..Hα-helixtrans-61.8-37-173.8-63-166.2-157.9-108.40113L48 A51 K52 S53 T58 F59 L60 H91 V92 E95L48-K56 HydrophobicContact CD1-CB 3.93Å; L48-K56 HydrophobicContact CD1-CG 4.17Å; A51-K56 VanDerWaalsContact O-CE 3.26Å; A51-K56 WeakPolarHBondContact O-CE 3.27Å; A51-K56 PolarHBondContact O-NZ 3.35Å; A51-K56 VanDerWaalsContact O-NZ 3.14Å; K52-K56 PolarHBondContact O-N 3.44Å; S53-K56 PolarHBondContact O-N 3.25Å; K56-T58 VanDerWaalsContact C-N 3.29Å; K56-T58 PolarHBondContact O-N 3.33Å; K56-F59 WeakPolarHBondContact O-CB 3.36Å; K56-F59 PolarHBondContact O-N 3.34Å; K56-F59 VanDerWaalsContact O-N 3.17Å; K56-L60 PolarHBondContact O-N 3.39Å; K56-H91 PolarHBondContact NZ-NE2 2.87Å; K56-V92 HydrophobicContact CB-CB 4.49Å; K56-V92 HydrophobicContact CB-CG1 3.89Å; K56-V92 HydrophobicContact CB-CG2 3.88Å; K56-V92 HydrophobicContact CD-CG2 4.07Å; K56-E95 HydrophobicContact CD-CB 4.46Å; K56-E95 WeakPolarHBondContact CE-OE2 3.32Å; K56-E95 IonicContact NZ-OE1 2.67Å; K56-E95 PolarHBondContact NZ-OE1 3.19Å; K56-E95 IonicContact NZ-OE2 3.84Å; K56-E95 PolarHBondContact NZ-OE2 3.39Å
57L91.9Very high94Very high26 Ų2640 Ų4014%0.13619%0.19CC..Hα-helixtrans-63.2-36.5175.6-168.466.5000112.1R55 F59 L60 Y61 Q103 M104R55-L57 VanDerWaalsContact C-N 3.3Å; R55-L57 PolarHBondContact O-N 3.15Å; L57-F59 VanDerWaalsContact C-N 3.31Å; L57-F59 PolarHBondContact O-N 2.73Å; L57-L60 HydrophobicContact CD1-CD1 4.49Å; L57-L60 WeakPolarHBondContact O-CB 2.91Å; L57-L60 PolarHBondContact O-N 2.7Å; L57-L60 VanDerWaalsContact O-N 3.14Å; L57-Y61 HydrophobicContact CD1-CE1 4.48Å; L57-Y61 HydrophobicContact CD2-CE2 3.97Å; L57-Y61 WeakPolarHBondContact CD2-OH 3.32Å; L57-Y61 HydrophobicContact CG-CD2 4.44Å; L57-Y61 HydrophobicContact CG-CE1 4.35Å; L57-Y61 HydrophobicContact CG-CE2 3.79Å; L57-Y61 PolarHBondContact O-N 3.48Å; L57-Q103 HydrophobicContact CD1-CB 4.23Å; L57-Q103 HydrophobicContact CD2-CB 4.28Å; L57-M104 HydrophobicContact CD1-CG 4.09Å
58T94.9Very high93.8Very high11 Ų1140.2 Ų40.27%0.06719%0.192CC..Hα-helixtrans-62.7-37.1174.9-52.40000112.2L16 S17 V23 R55 K56 L60 Y61 L62L16-T58 HydrophobicContact CD1-CG2 4.29Å; L16-T58 HydrophobicContact CD2-CG2 3.92Å; L16-T58 HydrophobicContact CG-CG2 3.75Å; S17-T58 WeakPolarHBondContact O-CG2 3.27Å; V23-T58 HydrophobicContact CG2-CG2 4.26Å; R55-T58 VanDerWaalsContact O-CB 3.27Å; R55-T58 WeakPolarHBondContact O-CB 3.5Å; R55-T58 PolarHBondContact O-N 3.23Å; K56-T58 VanDerWaalsContact C-N 3.29Å; K56-T58 PolarHBondContact O-N 3.33Å; T58-L60 VanDerWaalsContact C-N 3.33Å; T58-Y61 PolarHBondContact O-N 3.23Å; T58-L62 PolarHBondContact O-N 3.26Å
59F97.1Very high93.6Very high3 Ų344.1 Ų44.11%0.01321%0.212CC..Hα-helixtrans-65.3-37174.4-85-110.7000112L13 L16 W44 E47 L48 A51 R55 K56 L57 L62 A63L13-F59 HydrophobicContact CB-CE1 4.3Å; L13-F59 HydrophobicContact CB-CZ 4.19Å; L13-F59 HydrophobicContact CD1-CE1 4.38Å; L13-F59 HydrophobicContact CD2-CD1 4.37Å; L13-F59 HydrophobicContact CD2-CE1 3.86Å; L13-F59 HydrophobicContact CD2-CZ 4.37Å; L13-F59 HydrophobicContact CG-CE1 4.41Å; L16-F59 HydrophobicContact CD2-CD2 4.3Å; L16-F59 HydrophobicContact CD2-CE2 4.45Å; W44-F59 AromaticContact CD1-CD1 3.79Å; W44-F59 HydrophobicContact CZ2-CB 4.44Å; W44-F59 AromaticContact NE1-CD1 3.71Å; W44-F59 PolarHBondContact NE1-O 2.96Å; E47-F59 HydrophobicContact CB-CE1 3.88Å; E47-F59 HydrophobicContact CB-CZ 4.24Å; L48-F59 HydrophobicContact CB-CB 4.47Å; L48-F59 HydrophobicContact CB-CD1 3.88Å; L48-F59 HydrophobicContact CB-CE1 4.45Å; L48-F59 HydrophobicContact CB-CG 4.34Å; L48-F59 HydrophobicContact CD1-CB 3.5Å; L48-F59 VanDerWaalsContact CD1-CB 3.5Å; L48-F59 HydrophobicContact CD1-CD1 4.38Å; L48-F59 HydrophobicContact CD1-CG 3.99Å; A51-F59 HydrophobicContact CB-CD2 4.38Å; A51-F59 HydrophobicContact CB-CE2 3.89Å; A51-F59 HydrophobicContact CB-CZ 4.27Å; R55-F59 WeakPolarHBondContact O-CD2 3.47Å; R55-F59 PolarHBondContact O-N 2.91Å; K56-F59 WeakPolarHBondContact O-CB 3.36Å; K56-F59 PolarHBondContact O-N 3.34Å; K56-F59 VanDerWaalsContact O-N 3.17Å; L57-F59 VanDerWaalsContact C-N 3.31Å; L57-F59 PolarHBondContact O-N 2.73Å; F59-L62 WeakPolarHBondContact O-CB 3.1Å; F59-L62 PolarHBondContact O-N 3.09Å; F59-A63 PolarHBondContact O-N 3.33Å
60L95.6Very high93.6Very high7 Ų740.3 Ų40.34%0.03720%0.196CC..Hα-helixtrans-68.2-36.9173.9-65.1178.2000111.9W44 K56 L57 T58 L62 A63 N64 V92 M104 L107W44-L60 HydrophobicContact CH2-CD2 4.3Å; W44-L60 HydrophobicContact CZ2-CD2 4.23Å; K56-L60 PolarHBondContact O-N 3.39Å; L57-L60 HydrophobicContact CD1-CD1 4.49Å; L57-L60 WeakPolarHBondContact O-CB 2.91Å; L57-L60 PolarHBondContact O-N 2.7Å; L57-L60 VanDerWaalsContact O-N 3.14Å; T58-L60 VanDerWaalsContact C-N 3.33Å; L60-L62 VanDerWaalsContact C-N 3.33Å; L60-L62 PolarHBondContact O-N 2.64Å; L60-A63 PolarHBondContact O-N 3.47Å; L60-N64 VanDerWaalsContact O-CB 3.3Å; L60-N64 WeakPolarHBondContact O-CB 3.3Å; L60-N64 PolarHBondContact O-N 3.36Å; L60-V92 HydrophobicContact CD1-CB 4.28Å; L60-V92 HydrophobicContact CD1-CG1 4.03Å; L60-V92 HydrophobicContact CD1-CG2 4.13Å; L60-V92 HydrophobicContact CG-CG2 4.42Å; L60-M104 HydrophobicContact CD1-CE 3.8Å; L60-M104 HydrophobicContact CD1-CG 3.76Å; L60-M104 HydrophobicContact CD1-SD 4.05Å; L60-L107 HydrophobicContact CB-CD1 4.12Å
61Y95.7Very high93.3Very high80 Ų8039 Ų3931%0.31419%0.19SC..Hα-helixtrans-63.4-38.7171.9-66.2-33.9000112.6L57 T58 N64 D65 L107L57-Y61 HydrophobicContact CD1-CE1 4.48Å; L57-Y61 HydrophobicContact CD2-CE2 3.97Å; L57-Y61 WeakPolarHBondContact CD2-OH 3.32Å; L57-Y61 HydrophobicContact CG-CD2 4.44Å; L57-Y61 HydrophobicContact CG-CE1 4.35Å; L57-Y61 HydrophobicContact CG-CE2 3.79Å; L57-Y61 PolarHBondContact O-N 3.48Å; T58-Y61 PolarHBondContact O-N 3.23Å; Y61-N64 PolarHBondContact O-N 3.38Å; Y61-D65 PolarHBondContact O-N 3.08Å; Y61-L107 HydrophobicContact CD1-CD1 3.84Å; Y61-L107 HydrophobicContact CD1-CD2 4.01Å; Y61-L107 HydrophobicContact CD1-CG 4.43Å; Y61-L107 HydrophobicContact CE1-CD1 3.9Å; Y61-L107 HydrophobicContact CE1-CD2 4.09Å; Y61-L107 HydrophobicContact CE1-CG 4.27Å
62L97.6Very high92.9Very high2 Ų248 Ų481%0.0123%0.228CC..Hα-helixtrans-62.7-48.7172.2179.367.4000112L13 L16 V23 L26 I30 T58 F59 L60 N64 D65 V66L13-L62 HydrophobicContact CD2-CD2 3.7Å; L16-L62 HydrophobicContact CD2-CB 4.26Å; L16-L62 HydrophobicContact CD2-CD2 3.93Å; V23-L62 HydrophobicContact CG1-CB 4.41Å; V23-L62 HydrophobicContact CG1-CD1 4.36Å; L26-L62 HydrophobicContact CB-CD1 4.08Å; L26-L62 HydrophobicContact CD2-CD1 4.31Å; L26-L62 HydrophobicContact CD2-CD2 3.72Å; L26-L62 HydrophobicContact CG-CD1 4.03Å; L26-L62 HydrophobicContact CG-CD2 4.17Å; I30-L62 HydrophobicContact CD1-CD1 4.22Å; I30-L62 HydrophobicContact CD1-CD2 3.95Å; I30-L62 HydrophobicContact CD1-CG 4.3Å; T58-L62 PolarHBondContact O-N 3.26Å; F59-L62 WeakPolarHBondContact O-CB 3.1Å; F59-L62 PolarHBondContact O-N 3.09Å; L60-L62 VanDerWaalsContact C-N 3.33Å; L60-L62 PolarHBondContact O-N 2.64Å; L62-N64 VanDerWaalsContact C-N 3.28Å; L62-N64 PolarHBondContact O-N 2.98Å; L62-D65 PolarHBondContact O-N 3.29Å; L62-V66 HydrophobicContact CD1-CG2 4.2Å; L62-V66 HydrophobicContact CG-CG2 4.43Å; L62-V66 WeakPolarHBondContact O-CG2 3.38Å; L62-V66 PolarHBondContact O-N 3.2Å
63A96.9Very high92.7Very high0 Ų047 Ų470%022%0.223CC..Hα-helixtrans-58.4-44.1177.200000111.1W44 F59 L60 D65 V66 I67 F81W44-A63 HydrophobicContact CH2-CB 4.26Å; W44-A63 HydrophobicContact CZ2-CB 3.62Å; F59-A63 PolarHBondContact O-N 3.33Å; L60-A63 PolarHBondContact O-N 3.47Å; A63-D65 PolarHBondContact O-N 3Å; A63-V66 PolarHBondContact O-N 2.96Å; A63-I67 HydrophobicContact CB-CD1 4.45Å; A63-I67 WeakPolarHBondContact O-CB 3.42Å; A63-I67 WeakPolarHBondContact O-CD1 3.24Å; A63-I67 WeakPolarHBondContact O-CG1 3.4Å; A63-I67 PolarHBondContact O-N 3.48Å; A63-F81 HydrophobicContact CB-CD1 4.17Å; A63-F81 HydrophobicContact CB-CE1 3.59Å; A63-F81 HydrophobicContact CB-CZ 3.93Å
64N95.5Very high92.7Very high20 Ų2045 Ų4511%0.10721%0.211CC..Hα-helixtrans-56.9-49.3175.4173.675000112.4L60 Y61 L62 Q68 L107 W111L60-N64 VanDerWaalsContact O-CB 3.3Å; L60-N64 WeakPolarHBondContact O-CB 3.3Å; L60-N64 PolarHBondContact O-N 3.36Å; Y61-N64 PolarHBondContact O-N 3.38Å; L62-N64 VanDerWaalsContact C-N 3.28Å; L62-N64 PolarHBondContact O-N 2.98Å; N64-Q68 PolarHBondContact ND2-NE2 3.41Å; N64-Q68 WeakPolarHBondContact O-CB 3.4Å; N64-Q68 VanDerWaalsContact O-CG 3.24Å; N64-Q68 WeakPolarHBondContact O-CG 3.48Å; N64-Q68 PolarHBondContact O-N 3.44Å; N64-Q68 PolarHBondContact OD1-NE2 3.47Å; N64-L107 HydrophobicContact CB-CD2 4.11Å; N64-W111 HydrophobicContact CB-CZ2 4.32Å; N64-W111 PolarHBondContact OD1-NE1 3.12Å
65D95.8Very high93Very high18 Ų1843.3 Ų43.310%0.09621%0.207CC..Hα-helixtrans-65.3-41.7-179.4-162.487.3000111.6V23 S27 Y61 L62 A63 N69V23-D65 HydrophobicContact CG1-CB 4.12Å; S27-D65 WeakPolarHBondContact CB-OD2 3.39Å; S27-D65 PolarHBondContact OG-OD2 3.41Å; Y61-D65 PolarHBondContact O-N 3.08Å; L62-D65 PolarHBondContact O-N 3.29Å; A63-D65 PolarHBondContact O-N 3Å; D65-N69 VanDerWaalsContact CG-ND2 3.26Å; D65-N69 VanDerWaalsContact O-CB 3.28Å; D65-N69 WeakPolarHBondContact O-CB 3.4Å; D65-N69 PolarHBondContact O-N 3.01Å; D65-N69 PolarHBondContact O-ND2 3.33Å; D65-N69 VanDerWaalsContact O-ND2 3.17Å; D65-N69 PolarHBondContact OD1-ND2 2.97Å; D65-N69 PolarHBondContact OD2-ND2 2.84Å
66V96.7Very high93.1Very high0 Ų043 Ų430%021%0.209CC..Hα-helixtrans-63.2-49.4176.7172.90000111.4S27 I30 I31 L62 A63 Q68 N69 S70 F77 F81S27-V66 PolarHBondContact OG-N 2.85Å; I30-V66 HydrophobicContact CB-CG2 4.15Å; I30-V66 HydrophobicContact CD1-CG2 4.22Å; I30-V66 HydrophobicContact CG2-CB 4.49Å; I30-V66 HydrophobicContact CG2-CG1 3.78Å; I30-V66 HydrophobicContact CG2-CG2 3.8Å; I31-V66 HydrophobicContact CG1-CG1 4.35Å; L62-V66 HydrophobicContact CD1-CG2 4.2Å; L62-V66 HydrophobicContact CG-CG2 4.43Å; L62-V66 WeakPolarHBondContact O-CG2 3.38Å; L62-V66 PolarHBondContact O-N 3.2Å; A63-V66 PolarHBondContact O-N 2.96Å; V66-Q68 VanDerWaalsContact C-N 3.34Å; V66-Q68 PolarHBondContact O-N 3.28Å; V66-N69 PolarHBondContact O-N 2.94Å; V66-S70 WeakPolarHBondContact O-CB 3.48Å; V66-S70 PolarHBondContact O-N 3.21Å; V66-S70 PolarHBondContact O-OG 3.46Å; V66-F77 HydrophobicContact CG1-CB 4.21Å; V66-F77 HydrophobicContact CG1-CD1 3.82Å; V66-F77 HydrophobicContact CG1-CD2 3.99Å; V66-F77 HydrophobicContact CG1-CE1 4.13Å; V66-F77 HydrophobicContact CG1-CE2 4.27Å; V66-F77 HydrophobicContact CG1-CG 3.74Å; V66-F77 HydrophobicContact CG1-CZ 4.35Å; V66-F81 HydrophobicContact CB-CE2 4.35Å; V66-F81 HydrophobicContact CG1-CE2 3.9Å
67I95.4Very high93.2Very high0 Ų042.9 Ų42.90%021%0.208CC..Hα-helixtrans-61.9-43.5-179-66.7160.9000110.4A63 S70 F81 L85 W111 L116 Y117A63-I67 HydrophobicContact CB-CD1 4.45Å; A63-I67 WeakPolarHBondContact O-CB 3.42Å; A63-I67 WeakPolarHBondContact O-CD1 3.24Å; A63-I67 WeakPolarHBondContact O-CG1 3.4Å; A63-I67 PolarHBondContact O-N 3.48Å; I67-S70 PolarHBondContact O-OG 3.1Å; I67-F81 HydrophobicContact CD1-CB 3.86Å; I67-F81 HydrophobicContact CD1-CD1 4.36Å; I67-F81 HydrophobicContact CD1-CD2 3.95Å; I67-F81 HydrophobicContact CD1-CG 3.82Å; I67-F81 HydrophobicContact CG1-CB 4.16Å; I67-F81 HydrophobicContact CG1-CD2 3.55Å; I67-F81 HydrophobicContact CG1-CE2 4.13Å; I67-F81 HydrophobicContact CG1-CG 3.95Å; I67-L85 HydrophobicContact CD1-CD1 4.28Å; I67-W111 HydrophobicContact CD1-CH2 4.06Å; I67-W111 HydrophobicContact CD1-CZ2 3.86Å; I67-L116 HydrophobicContact CG2-CB 4.43Å; I67-L116 HydrophobicContact CG2-CD1 4.07Å; I67-Y117 HydrophobicContact CD1-CE2 4.31Å; I67-Y117 WeakPolarHBondContact CD1-OH 3.47Å; I67-Y117 HydrophobicContact CG2-CE2 4.24Å
68Q92.3Very high93.3Very high33 Ų3342.7 Ų42.715%0.15421%0.208CC..Hα-helixtrans-67.8-44.8-179.6-72.7-175.726.600112.7N64 V66 L116N64-Q68 PolarHBondContact ND2-NE2 3.41Å; N64-Q68 WeakPolarHBondContact O-CB 3.4Å; N64-Q68 VanDerWaalsContact O-CG 3.24Å; N64-Q68 WeakPolarHBondContact O-CG 3.48Å; N64-Q68 PolarHBondContact O-N 3.44Å; N64-Q68 PolarHBondContact OD1-NE2 3.47Å; V66-Q68 VanDerWaalsContact C-N 3.34Å; V66-Q68 PolarHBondContact O-N 3.28Å; Q68-L116 HydrophobicContact CG-CD1 3.61Å
69N93.6Very high93.3Very high81 Ų8149.7 Ų49.743%0.43324%0.238SC..Hα-helixtrans-84.7-24.1-173.1-70.6-42.9000113.1I31 D65 V66I31-N69 HydrophobicContact CD1-CB 3.52Å; D65-N69 VanDerWaalsContact CG-ND2 3.26Å; D65-N69 VanDerWaalsContact O-CB 3.28Å; D65-N69 WeakPolarHBondContact O-CB 3.4Å; D65-N69 PolarHBondContact O-N 3.01Å; D65-N69 PolarHBondContact O-ND2 3.33Å; D65-N69 VanDerWaalsContact O-ND2 3.17Å; D65-N69 PolarHBondContact OD1-ND2 2.97Å; D65-N69 PolarHBondContact OD2-ND2 2.84Å; V66-N69 PolarHBondContact O-N 2.94Å
70S93.6Very high93.2Very high2 Ų251.4 Ų51.41%0.01425%0.247CC..Hα-helixtrans-74.5-24.2175.960.10000114V66 I67 K72 K73 G74 F77V66-S70 WeakPolarHBondContact O-CB 3.48Å; V66-S70 PolarHBondContact O-N 3.21Å; V66-S70 PolarHBondContact O-OG 3.46Å; I67-S70 PolarHBondContact O-OG 3.1Å; S70-K72 PolarHBondContact O-N 3.29Å; S70-K73 WeakPolarHBondContact O-CA 3.3Å; S70-K73 WeakPolarHBondContact O-CB 3.3Å; S70-K73 PolarHBondContact O-N 2.91Å; S70-G74 PolarHBondContact O-N 3.33Å; S70-G74 VanDerWaalsContact O-O 3.13Å; S70-F77 WeakPolarHBondContact OG-CB 3.39Å
71K86.6Confident93.3Very high107 Ų10751.3 Ų51.347%0.46525%0.246SC..THydrogen-bonded Turntrans-52-32.6-177.8-175.4172.1177.6173.20113.8K73 R114 N115 L116K71-K73 VanDerWaalsContact C-N 3.3Å; K71-K73 PolarHBondContact O-N 3.03Å; K71-R114 PolarHBondContact NZ-O 2.78Å; K71-N115 PolarHBondContact NZ-O 2.82Å; K71-L116 HydrophobicContact CD-CD2 3.71Å
72K82.9Confident93.3Very high200 Ų20050.2 Ų50.287%0.8724%0.244SC*.THydrogen-bonded Turntrans-72.9-20.3176.8-65.9-176.7-179.3178.50113.8S70S70-K72 PolarHBondContact O-N 3.29Å
73K86.3Confident93.1Very high140 Ų14054.8 Ų54.861%0.60928%0.276SS*.THydrogen-bonded Turntrans-96.6-39.3-178.6-61.2-63.7-175.61800110.7I31 R34 S70 K71I31-K73 HydrophobicContact CG2-CG 4.31Å; R34-K73 PolarHBondContact NH1-O 3.15Å; S70-K73 WeakPolarHBondContact O-CA 3.3Å; S70-K73 WeakPolarHBondContact O-CB 3.3Å; S70-K73 PolarHBondContact O-N 2.91Å; K71-K73 VanDerWaalsContact C-N 3.3Å; K71-K73 PolarHBondContact O-N 3.03Å
74G87.4Confident93.1Very high13 Ų1355.6 Ų55.613%0.13428%0.281CS..  trans171.2175.317500000112.9S70 E76S70-G74 PolarHBondContact O-N 3.33Å; S70-G74 VanDerWaalsContact O-O 3.13Å; G74-E76 WeakPolarHBondContact CA-OE2 3.45Å
75P92.1Very high93.1Very high98 Ų9854.6 Ų54.664%0.63628%0.276SS*.SBendtrans-87.71.4-174.936.1-36.5000114.1F77 T78 K79P75-F77 PolarHBondContact O-N 2.89Å; P75-T78 PolarHBondContact O-N 3.4Å; P75-T78 VanDerWaalsContact O-N 3.17Å; P75-K79 PolarHBondContact O-N 3.27Å
76E93.5Very high93Very high60 Ų6055.9 Ų55.928%0.2828%0.284SS..Hα-helixtrans-58.2-48.6-168-52.593.7138.500111.5R34 G74 K79 D80R34-E76 IonicContact CZ-OE1 2.88Å; R34-E76 IonicContact NE-OE1 3.21Å; R34-E76 IonicContact NH1-OE1 2.88Å; R34-E76 PolarHBondContact NH1-OE1 3.34Å; R34-E76 IonicContact NH1-OE2 3.79Å; G74-E76 WeakPolarHBondContact CA-OE2 3.45Å; E76-K79 PolarHBondContact O-N 2.98Å; E76-D80 WeakPolarHBondContact O-CB 3.46Å; E76-D80 VanDerWaalsContact O-CG 3.25Å; E76-D80 PolarHBondContact O-N 3.07Å
77F95.9Very high92.9Very high0 Ų059.4 Ų59.40%030%0.303CS..Hα-helixtrans-68.1-39.5178-78.4-65000112.8I30 R34 I40 V41 V66 S70 P75 K79 D80 F81I30-F77 HydrophobicContact CG2-CE1 3.7Å; I30-F77 HydrophobicContact CG2-CE2 4.17Å; I30-F77 HydrophobicContact CG2-CZ 3.41Å; I30-F77 VanDerWaalsContact CG2-CZ 3.41Å; R34-F77 HydrophobicContact CB-CD2 4.3Å; R34-F77 HydrophobicContact CB-CE2 3.57Å; R34-F77 HydrophobicContact CB-CZ 4.29Å; I40-F77 HydrophobicContact CB-CE1 4.27Å; I40-F77 HydrophobicContact CD1-CE1 4.3Å; I40-F77 HydrophobicContact CD1-CZ 4.01Å; I40-F77 HydrophobicContact CG2-CE1 4.11Å; V41-F77 HydrophobicContact CG2-CD1 4.12Å; V66-F77 HydrophobicContact CG1-CB 4.21Å; V66-F77 HydrophobicContact CG1-CD1 3.82Å; V66-F77 HydrophobicContact CG1-CD2 3.99Å; V66-F77 HydrophobicContact CG1-CE1 4.13Å; V66-F77 HydrophobicContact CG1-CE2 4.27Å; V66-F77 HydrophobicContact CG1-CG 3.74Å; V66-F77 HydrophobicContact CG1-CZ 4.35Å; S70-F77 WeakPolarHBondContact OG-CB 3.39Å; P75-F77 PolarHBondContact O-N 2.89Å; F77-K79 VanDerWaalsContact C-N 3.31Å; F77-K79 PolarHBondContact O-N 3.03Å; F77-D80 PolarHBondContact O-N 3Å; F77-F81 HydrophobicContact CB-CD2 4.19Å; F77-F81 HydrophobicContact CB-CE2 4.44Å; F77-F81 HydrophobicContact CD1-CD2 4.27Å; F77-F81 AromaticContact CD1-CE2 3.9Å; F77-F81 HydrophobicContact CD1-CE2 3.9Å; F77-F81 VanDerWaalsContact O-CB 3.3Å; F77-F81 WeakPolarHBondContact O-CB 3.46Å; F77-F81 VanDerWaalsContact O-CD2 3.23Å; F77-F81 WeakPolarHBondContact O-CD2 3.43Å; F77-F81 PolarHBondContact O-N 3.26Å
78T94Very high92.8Very high22 Ų2259.4 Ų59.414%0.13530%0.303CS..Hα-helixtrans-57.6-47.8176-53.30000110.2P75 E82 L116 Y117P75-T78 PolarHBondContact O-N 3.4Å; P75-T78 VanDerWaalsContact O-N 3.17Å; T78-E82 WeakPolarHBondContact O-CB 3.38Å; T78-E82 PolarHBondContact O-N 3.18Å; T78-E82 VanDerWaalsContact O-N 3.12Å; T78-L116 WeakPolarHBondContact CG2-O 3.26Å; T78-Y117 HydrophobicContact CG2-CD1 4.1Å; T78-Y117 HydrophobicContact CG2-CE1 3.54Å; T78-Y117 WeakPolarHBondContact O-CE1 3.43Å; T78-Y117 PolarHBondContact O-OH 3.37Å; T78-Y117 VanDerWaalsContact O-OH 3.12Å
79K94.4Very high92.8Very high157 Ų15758 Ų5868%0.68330%0.297SS*.Hα-helixtrans-65.6-45.9178.7-174.7178.5178.9178.20112.7P75 E76 F77 E82P75-K79 PolarHBondContact O-N 3.27Å; E76-K79 PolarHBondContact O-N 2.98Å; F77-K79 VanDerWaalsContact C-N 3.31Å; F77-K79 PolarHBondContact O-N 3.03Å; K79-E82 WeakPolarHBondContact O-CB 3.43Å; K79-E82 PolarHBondContact O-N 2.84Å
80D96.3Very high92.8Very high40 Ų4056.3 Ų56.321%0.21429%0.292CS..Hα-helixtrans-68.8-40.7-176.5-71-25000111.6S37 G38 V41 E76 F77 S83S37-D80 VanDerWaalsContact C-OD2 3.22Å; S37-D80 WeakPolarHBondContact CB-OD2 3.39Å; S37-D80 PolarHBondContact OG-OD2 3.19Å; G38-D80 VanDerWaalsContact CA-OD2 3.31Å; G38-D80 WeakPolarHBondContact CA-OD2 3.45Å; G38-D80 PolarHBondContact N-OD2 3.39Å; V41-D80 HydrophobicContact CB-CB 4.15Å; V41-D80 HydrophobicContact CG1-CB 4.45Å; V41-D80 HydrophobicContact CG2-CB 3.75Å; E76-D80 WeakPolarHBondContact O-CB 3.46Å; E76-D80 VanDerWaalsContact O-CG 3.25Å; E76-D80 PolarHBondContact O-N 3.07Å; F77-D80 PolarHBondContact O-N 3Å; D80-S83 PolarHBondContact O-N 3.41Å; D80-S83 PolarHBondContact O-OG 3.18Å
81F97.3Very high92.7Very high4 Ų458 Ų582%0.01830%0.299CS..Hα-helixtrans-65.5-37.6175.2-86.1-72.7000112.3V41 W44 A63 V66 I67 F77 S83 V84 L85 Y117V41-F81 HydrophobicContact CG1-CD1 4.1Å; V41-F81 HydrophobicContact CG1-CE1 4.39Å; V41-F81 HydrophobicContact CG1-CG 4.37Å; V41-F81 HydrophobicContact CG2-CD1 4.26Å; V41-F81 HydrophobicContact CG2-CD2 3.79Å; V41-F81 HydrophobicContact CG2-CE1 4.24Å; V41-F81 HydrophobicContact CG2-CE2 3.75Å; V41-F81 HydrophobicContact CG2-CG 4.04Å; V41-F81 HydrophobicContact CG2-CZ 3.99Å; W44-F81 AromaticContact CD2-CE1 3.68Å; W44-F81 HydrophobicContact CD2-CE1 3.68Å; W44-F81 HydrophobicContact CD2-CZ 4.4Å; W44-F81 AromaticContact CE2-CE1 3.98Å; W44-F81 HydrophobicContact CE3-CD1 4.19Å; W44-F81 AromaticContact CE3-CE1 3.61Å; W44-F81 HydrophobicContact CE3-CE1 3.61Å; W44-F81 HydrophobicContact CG-CE1 4.26Å; W44-F81 HydrophobicContact CH2-CD1 4.48Å; W44-F81 HydrophobicContact CH2-CE1 4.19Å; W44-F81 HydrophobicContact CZ2-CE1 4.24Å; W44-F81 HydrophobicContact CZ3-CD1 4.11Å; W44-F81 AromaticContact CZ3-CE1 3.88Å; W44-F81 HydrophobicContact CZ3-CE1 3.88Å; A63-F81 HydrophobicContact CB-CD1 4.17Å; A63-F81 HydrophobicContact CB-CE1 3.59Å; A63-F81 HydrophobicContact CB-CZ 3.93Å; V66-F81 HydrophobicContact CB-CE2 4.35Å; V66-F81 HydrophobicContact CG1-CE2 3.9Å; I67-F81 HydrophobicContact CD1-CB 3.86Å; I67-F81 HydrophobicContact CD1-CD1 4.36Å; I67-F81 HydrophobicContact CD1-CD2 3.95Å; I67-F81 HydrophobicContact CD1-CG 3.82Å; I67-F81 HydrophobicContact CG1-CB 4.16Å; I67-F81 HydrophobicContact CG1-CD2 3.55Å; I67-F81 HydrophobicContact CG1-CE2 4.13Å; I67-F81 HydrophobicContact CG1-CG 3.95Å; F77-F81 HydrophobicContact CB-CD2 4.19Å; F77-F81 HydrophobicContact CB-CE2 4.44Å; F77-F81 HydrophobicContact CD1-CD2 4.27Å; F77-F81 AromaticContact CD1-CE2 3.9Å; F77-F81 HydrophobicContact CD1-CE2 3.9Å; F77-F81 VanDerWaalsContact O-CB 3.3Å; F77-F81 WeakPolarHBondContact O-CB 3.46Å; F77-F81 VanDerWaalsContact O-CD2 3.23Å; F77-F81 WeakPolarHBondContact O-CD2 3.43Å; F77-F81 PolarHBondContact O-N 3.26Å; F81-S83 PolarHBondContact O-N 3Å; F81-S83 VanDerWaalsContact O-N 3.09Å; F81-V84 HydrophobicContact CD1-CG2 4.32Å; F81-V84 WeakPolarHBondContact O-CG2 3.38Å; F81-V84 PolarHBondContact O-N 3.06Å; F81-L85 HydrophobicContact CB-CD1 3.94Å; F81-L85 HydrophobicContact CB-CG 4.2Å; F81-L85 WeakPolarHBondContact O-CB 3.39Å; F81-L85 WeakPolarHBondContact O-CG 3.37Å; F81-L85 PolarHBondContact O-N 2.93Å; F81-Y117 WeakPolarHBondContact CB-OH 3.4Å
82E94.9Very high93Very high58 Ų5853 Ų5327%0.27128%0.277SS..Hα-helixtrans-49.7-39.5176.4-161.3172.8173.500111.8T78 K79 V84 Y117 R118 F121T78-E82 WeakPolarHBondContact O-CB 3.38Å; T78-E82 PolarHBondContact O-N 3.18Å; T78-E82 VanDerWaalsContact O-N 3.12Å; K79-E82 WeakPolarHBondContact O-CB 3.43Å; K79-E82 PolarHBondContact O-N 2.84Å; E82-V84 VanDerWaalsContact C-N 3.28Å; E82-V84 PolarHBondContact O-N 3.31Å; E82-Y117 HydrophobicContact CB-CE1 3.9Å; E82-Y117 HydrophobicContact CG-CD1 4.28Å; E82-Y117 HydrophobicContact CG-CE1 4.11Å; E82-R118 IonicContact OE1-NH2 3.18Å; E82-F121 HydrophobicContact CB-CZ 4.32Å; E82-F121 HydrophobicContact CG-CD1 4.25Å; E82-F121 HydrophobicContact CG-CD2 4.25Å; E82-F121 HydrophobicContact CG-CE1 3.8Å; E82-F121 HydrophobicContact CG-CE2 3.83Å; E82-F121 HydrophobicContact CG-CG 4.44Å; E82-F121 HydrophobicContact CG-CZ 3.58Å; E82-F121 WeakPolarHBondContact O-CZ 3.42Å
83S94.6Very high93.3Very high98 Ų9843.5 Ų43.569%0.68524%0.236SC*.Hα-helixtrans-68.7-18.2-178.475.80000115.7D80 F81D80-S83 PolarHBondContact O-N 3.41Å; D80-S83 PolarHBondContact O-OG 3.18Å; F81-S83 PolarHBondContact O-N 3Å; F81-S83 VanDerWaalsContact O-N 3.09Å
84V96.3Very high93.5Very high16 Ų1640.4 Ų40.410%0.09723%0.232CC..Hα-helixtrans-119.6-15.6-176.1-60.80000113.7V41 W44 H45 F81 E82 V86 D87 A88V41-V84 HydrophobicContact CG1-CB 4.46Å; V41-V84 HydrophobicContact CG1-CG1 4.16Å; V41-V84 HydrophobicContact CG1-CG2 3.44Å; V41-V84 VanDerWaalsContact CG1-CG2 3.44Å; W44-V84 HydrophobicContact CE3-CG2 4.37Å; W44-V84 HydrophobicContact CZ3-CG2 3.96Å; H45-V84 HydrophobicContact CB-CB 4.36Å; H45-V84 HydrophobicContact CB-CG1 4.37Å; F81-V84 HydrophobicContact CD1-CG2 4.32Å; F81-V84 WeakPolarHBondContact O-CG2 3.38Å; F81-V84 PolarHBondContact O-N 3.06Å; E82-V84 VanDerWaalsContact C-N 3.28Å; E82-V84 PolarHBondContact O-N 3.31Å; V84-V86 PolarHBondContact O-N 2.92Å; V84-D87 PolarHBondContact O-N 3.32Å; V84-A88 VanDerWaalsContact O-CB 3.32Å; V84-A88 WeakPolarHBondContact O-CB 3.36Å; V84-A88 PolarHBondContact O-N 3.19Å
85L95.6Very high93.4Very high0 Ų043.4 Ų43.40%024%0.243CC..Hα-helixtrans-65.6-34.4-170.1-84.9169.1000114I67 F81 A88 C89 W111 Y117 F121 L125I67-L85 HydrophobicContact CD1-CD1 4.28Å; F81-L85 HydrophobicContact CB-CD1 3.94Å; F81-L85 HydrophobicContact CB-CG 4.2Å; F81-L85 WeakPolarHBondContact O-CB 3.39Å; F81-L85 WeakPolarHBondContact O-CG 3.37Å; F81-L85 PolarHBondContact O-N 2.93Å; L85-A88 PolarHBondContact O-N 3.03Å; L85-C89 VanDerWaalsContact O-CB 3.27Å; L85-C89 WeakPolarHBondContact O-CB 3.45Å; L85-C89 PolarHBondContact O-N 2.81Å; L85-C89 PolarHBondContact O-SG 3.31Å; L85-C89 VanDerWaalsContact O-SG 3.37Å; L85-W111 HydrophobicContact CD1-CH2 3.8Å; L85-W111 HydrophobicContact CD1-CZ3 3.55Å; L85-W111 HydrophobicContact CD2-CH2 3.54Å; L85-W111 HydrophobicContact CD2-CZ3 3.9Å; L85-W111 HydrophobicContact CG-CH2 4.32Å; L85-W111 HydrophobicContact CG-CZ3 4.3Å; L85-Y117 HydrophobicContact CD1-CE2 3.77Å; L85-Y117 WeakPolarHBondContact CD1-OH 3.42Å; L85-F121 HydrophobicContact CB-CZ 4.12Å; L85-F121 HydrophobicContact CD1-CE1 4.3Å; L85-L125 HydrophobicContact CB-CD1 4.45Å; L85-L125 HydrophobicContact CB-CD2 3.92Å
86V93.9Very high92.9Very high44 Ų4439.6 Ų39.627%0.26722%0.218SC..Hα-helixtrans-62.4-50.7178.3179.10000110.9V84 C89 S90 F121 Q124 L125 A128V84-V86 PolarHBondContact O-N 2.92Å; V86-C89 PolarHBondContact O-N 3Å; V86-S90 WeakPolarHBondContact O-CB 3.41Å; V86-S90 PolarHBondContact O-N 3.37Å; V86-F121 HydrophobicContact CG2-CE2 3.72Å; V86-F121 HydrophobicContact CG2-CZ 4.23Å; V86-Q124 HydrophobicContact CG2-CG 4.25Å; V86-L125 HydrophobicContact CB-CD2 4.23Å; V86-L125 HydrophobicContact CG2-CD2 3.74Å; V86-A128 HydrophobicContact CG1-CB 4.37Å
87D93.4Very high92.5Very high74 Ų7441.5 Ų41.540%0.39623%0.23SC..Hα-helixtrans-66.3-40.5178.1-178.640.5000111.3H45 K49 V84 H91H45-D87 IonicContact CE1-OD2 3.67Å; H45-D87 PolarHBondContact CE1-OD2 3.45Å; H45-D87 IonicContact NE2-OD2 2.77Å; H45-D87 PolarHBondContact NE2-OD2 2.89Å; H45-D87 VanDerWaalsContact NE2-OD2 3.16Å; K49-D87 WeakPolarHBondContact CE-OD2 3.32Å; K49-D87 VanDerWaalsContact NZ-CG 3.26Å; K49-D87 IonicContact NZ-OD1 3.21Å; K49-D87 PolarHBondContact NZ-OD1 3.49Å; K49-D87 IonicContact NZ-OD2 2.82Å; K49-D87 PolarHBondContact NZ-OD2 3.5Å; V84-D87 PolarHBondContact O-N 3.32Å; D87-H91 WeakPolarHBondContact O-CB 3.42Å; D87-H91 PolarHBondContact O-N 3.37Å
88A94.3Very high92Very high0 Ų046.4 Ų46.40%026%0.256CS..Hα-helixtrans-61.2-49.7175.200000112.2W44 L48 V84 L85 H91 V92W44-A88 HydrophobicContact CH2-CB 3.93Å; W44-A88 HydrophobicContact CZ3-CB 4.09Å; L48-A88 HydrophobicContact CD2-CB 3.62Å; V84-A88 VanDerWaalsContact O-CB 3.32Å; V84-A88 WeakPolarHBondContact O-CB 3.36Å; V84-A88 PolarHBondContact O-N 3.19Å; L85-A88 PolarHBondContact O-N 3.03Å; A88-H91 PolarHBondContact O-N 3.01Å; A88-V92 VanDerWaalsContact O-CG2 3.31Å; A88-V92 WeakPolarHBondContact O-CG2 3.41Å; A88-V92 PolarHBondContact O-N 3.33Å
89C93.2Very high91.5Very high4 Ų446.7 Ų46.73%0.02726%0.263CS..Hα-helixtrans-63-44.1179.4-76.90000111.9L85 V86 V92 A93 M104 L125 I129L85-C89 VanDerWaalsContact O-CB 3.27Å; L85-C89 WeakPolarHBondContact O-CB 3.45Å; L85-C89 PolarHBondContact O-N 2.81Å; L85-C89 PolarHBondContact O-SG 3.31Å; L85-C89 VanDerWaalsContact O-SG 3.37Å; V86-C89 PolarHBondContact O-N 3Å; C89-V92 PolarHBondContact O-N 3.02Å; C89-A93 WeakPolarHBondContact O-CB 3.45Å; C89-A93 PolarHBondContact O-N 3.2Å; C89-M104 HydrophobicContact CB-CE 4.18Å; C89-M104 WeakPolarHBondContact O-CE 3.24Å; C89-L125 HydrophobicContact CB-CD2 4.42Å; C89-I129 HydrophobicContact CB-CG1 4.23Å
90S92.6Very high91.1Very high46 Ų4640.4 Ų40.432%0.32224%0.239SC..Hα-helixtrans-60-47175179.50000111.6V86 V92 A93 S94 S132V86-S90 WeakPolarHBondContact O-CB 3.41Å; V86-S90 PolarHBondContact O-N 3.37Å; S90-V92 PolarHBondContact O-N 3.09Å; S90-A93 PolarHBondContact O-N 3.38Å; S90-S94 PolarHBondContact O-N 3.26Å; S90-S132 PolarHBondContact O-OG 3.45Å
91H92.3Very high90.7Very high38 Ų3839.6 Ų39.618%0.17623%0.233CC..Hα-helixtrans-62.8-45.8179.5179.267.5000112.6K49 K56 D87 A88 S94 E95K49-H91 WeakPolarHBondContact CA-NE2 3.31Å; K56-H91 PolarHBondContact NZ-NE2 2.87Å; D87-H91 WeakPolarHBondContact O-CB 3.42Å; D87-H91 PolarHBondContact O-N 3.37Å; A88-H91 PolarHBondContact O-N 3.01Å; H91-S94 PolarHBondContact O-N 3.06Å; H91-S94 PolarHBondContact O-OG 2.75Å; H91-E95 IonicContact CE1-OE1 2.85Å; H91-E95 PolarHBondContact CE1-OE1 3.03Å; H91-E95 IonicContact ND1-OE1 2.84Å; H91-E95 IonicContact NE2-OE1 3.86Å; H91-E95 PolarHBondContact NE2-OE1 3.16Å
92V92Very high90.4Very high1 Ų145.4 Ų45.41%0.00626%0.258CS..Hα-helixtrans-63-45.5176-179.70000110.5L48 K56 L60 A88 C89 S90 S94 E95 V96 M104L48-V92 HydrophobicContact CD1-CG2 3.85Å; L48-V92 HydrophobicContact CD2-CG2 4.17Å; L48-V92 HydrophobicContact CG-CG2 4.34Å; K56-V92 HydrophobicContact CB-CB 4.49Å; K56-V92 HydrophobicContact CB-CG1 3.89Å; K56-V92 HydrophobicContact CB-CG2 3.88Å; K56-V92 HydrophobicContact CD-CG2 4.07Å; L60-V92 HydrophobicContact CD1-CB 4.28Å; L60-V92 HydrophobicContact CD1-CG1 4.03Å; L60-V92 HydrophobicContact CD1-CG2 4.13Å; L60-V92 HydrophobicContact CG-CG2 4.42Å; A88-V92 VanDerWaalsContact O-CG2 3.31Å; A88-V92 WeakPolarHBondContact O-CG2 3.41Å; A88-V92 PolarHBondContact O-N 3.33Å; C89-V92 PolarHBondContact O-N 3.02Å; S90-V92 PolarHBondContact O-N 3.09Å; V92-S94 PolarHBondContact O-N 3.48Å; V92-E95 PolarHBondContact O-N 3.31Å; V92-V96 HydrophobicContact CG1-CG1 3.77Å; V92-V96 HydrophobicContact CG1-CG2 4.14Å; V92-V96 WeakPolarHBondContact O-CG1 3.44Å; V92-V96 VanDerWaalsContact O-CG2 3.26Å; V92-V96 WeakPolarHBondContact O-CG2 3.26Å; V92-V96 PolarHBondContact O-N 3.04Å; V92-V96 VanDerWaalsContact O-N 3.17Å; V92-M104 HydrophobicContact CB-CE 3.9Å; V92-M104 HydrophobicContact CB-SD 4.15Å; V92-M104 HydrophobicContact CG1-CE 4.06Å; V92-M104 HydrophobicContact CG1-SD 3.64Å
93A90.3Very high90.2Very high1 Ų145.5 Ų45.51%0.00826%0.259CS..Hα-helixtrans-60.5-30.3-179.200000113.4C89 S90 E95 K101 I129C89-A93 WeakPolarHBondContact O-CB 3.45Å; C89-A93 PolarHBondContact O-N 3.2Å; S90-A93 PolarHBondContact O-N 3.38Å; A93-E95 VanDerWaalsContact C-N 3.32Å; A93-K101 WeakPolarHBondContact O-CE 3.44Å; A93-I129 HydrophobicContact CB-CB 4.23Å; A93-I129 HydrophobicContact CB-CG1 4.31Å; A93-I129 HydrophobicContact CB-CG2 4.06Å
94S89.1Confident90.1Very high75 Ų7541 Ų4152%0.52423%0.227SC..Hα-helixtrans-73.7-19176.173.20000114.5S90 H91 V92S90-S94 PolarHBondContact O-N 3.26Å; H91-S94 PolarHBondContact O-N 3.06Å; H91-S94 PolarHBondContact O-OG 2.75Å; V92-S94 PolarHBondContact O-N 3.48Å
95E85.1Confident89.9Confident76 Ų7643.5 Ų43.536%0.35524%0.238SC..Hα-helixtrans-113.1-3.9-174.5-73.1-165.6-138.600114.3S53 K56 H91 V92 A93S53-E95 WeakPolarHBondContact CB-O 3.49Å; S53-E95 PolarHBondContact OG-O 3.29Å; K56-E95 HydrophobicContact CD-CB 4.46Å; K56-E95 WeakPolarHBondContact CE-OE2 3.32Å; K56-E95 IonicContact NZ-OE1 2.67Å; K56-E95 PolarHBondContact NZ-OE1 3.19Å; K56-E95 IonicContact NZ-OE2 3.84Å; K56-E95 PolarHBondContact NZ-OE2 3.39Å; H91-E95 IonicContact CE1-OE1 2.85Å; H91-E95 PolarHBondContact CE1-OE1 3.03Å; H91-E95 IonicContact ND1-OE1 2.84Å; H91-E95 IonicContact NE2-OE1 3.86Å; H91-E95 PolarHBondContact NE2-OE1 3.16Å; V92-E95 PolarHBondContact O-N 3.31Å; A93-E95 VanDerWaalsContact C-N 3.32Å
96V82.8Confident89.8Confident18 Ų1851.3 Ų51.311%0.10927%0.267CS..SBendtrans-120.3157.7-176.9-54.90000112.1V92 C100 K101 M104V92-V96 HydrophobicContact CG1-CG1 3.77Å; V92-V96 HydrophobicContact CG1-CG2 4.14Å; V92-V96 WeakPolarHBondContact O-CG1 3.44Å; V92-V96 VanDerWaalsContact O-CG2 3.26Å; V92-V96 WeakPolarHBondContact O-CG2 3.26Å; V92-V96 PolarHBondContact O-N 3.04Å; V92-V96 VanDerWaalsContact O-N 3.17Å; V96-C100 HydrophobicContact CB-CB 3.53Å; V96-C100 HydrophobicContact CG1-CB 4.3Å; V96-C100 HydrophobicContact CG2-CB 3.45Å; V96-C100 VanDerWaalsContact CG2-CB 3.45Å; V96-K101 HydrophobicContact CG2-CG 4.23Å; V96-M104 HydrophobicContact CG2-SD 4.3Å
97D85.3Confident89.8Confident99 Ų9950 Ų5053%0.52926%0.258SS..  trans-74.4166.3178.866.8-63.5000112.7G99 C100 K101D97-G99 PolarHBondContact O-N 2.85Å; D97-G99 VanDerWaalsContact O-N 3.16Å; D97-G99 VanDerWaalsContact OD2-CA 3.27Å; D97-G99 WeakPolarHBondContact OD2-CA 3.41Å; D97-G99 PolarHBondContact OD2-N 3.41Å; D97-C100 WeakPolarHBondContact O-CB 3.4Å; D97-C100 PolarHBondContact O-N 3.34Å; D97-C100 PolarHBondContact OD1-SG 3.42Å; D97-K101 PolarHBondContact O-N 3.08Å; D97-K101 VanDerWaalsContact O-N 3.09Å
98D84.1Confident89.9Confident104 Ų10446.6 Ų46.656%0.55624%0.241SC*.Hα-helixtrans-62.1-22.9179.4-69.7-15.5000113.3K101 K102D98-K101 IonicContact OD1-NZ 2.7Å; D98-K101 PolarHBondContact OD1-NZ 2.98Å; D98-K102 WeakPolarHBondContact O-CG 3.5Å; D98-K102 PolarHBondContact O-N 3.35Å
99G83.2Confident89.8Confident27 Ų2749.4 Ų49.428%0.27826%0.255SS..Hα-helixtrans-58.2-59.2168.500000110.2D97 K101 K102 Q103D97-G99 PolarHBondContact O-N 2.85Å; D97-G99 VanDerWaalsContact O-N 3.16Å; D97-G99 VanDerWaalsContact OD2-CA 3.27Å; D97-G99 WeakPolarHBondContact OD2-CA 3.41Å; D97-G99 PolarHBondContact OD2-N 3.41Å; G99-K101 VanDerWaalsContact C-N 3.3Å; G99-K101 PolarHBondContact O-N 3.16Å; G99-K102 WeakPolarHBondContact O-CB 3.08Å; G99-K102 PolarHBondContact O-N 3.45Å; G99-K102 VanDerWaalsContact O-N 3.08Å; G99-Q103 PolarHBondContact O-N 3.04Å; G99-Q103 PolarHBondContact O-NE2 3.34Å; G99-Q103 PolarHBondContact O-OE1 3.46Å
100C85.8Confident89.7Confident26 Ų2651.6 Ų51.618%0.17627%0.267CS..Hα-helixtrans-55-40.4177.3-74.30000113.3V96 D97 K102 Q103 M104V96-C100 HydrophobicContact CB-CB 3.53Å; V96-C100 HydrophobicContact CG1-CB 4.3Å; V96-C100 HydrophobicContact CG2-CB 3.45Å; V96-C100 VanDerWaalsContact CG2-CB 3.45Å; D97-C100 WeakPolarHBondContact O-CB 3.4Å; D97-C100 PolarHBondContact O-N 3.34Å; D97-C100 PolarHBondContact OD1-SG 3.42Å; C100-K102 VanDerWaalsContact C-N 3.32Å; C100-K102 PolarHBondContact O-N 2.86Å; C100-Q103 PolarHBondContact O-N 3.28Å; C100-M104 WeakPolarHBondContact O-CG 3.39Å; C100-M104 PolarHBondContact O-N 2.94Å
101K89.8Confident89.8Confident23 Ų2349.7 Ų49.710%0.125%0.252CS..Hα-helixtrans-59.2-40.9176.5-65.4-179.9-166.81580112.2A93 V96 D97 D98 G99 Q103 M104 E105 I129A93-K101 WeakPolarHBondContact O-CE 3.44Å; V96-K101 HydrophobicContact CG2-CG 4.23Å; D97-K101 PolarHBondContact O-N 3.08Å; D97-K101 VanDerWaalsContact O-N 3.09Å; D98-K101 IonicContact OD1-NZ 2.7Å; D98-K101 PolarHBondContact OD1-NZ 2.98Å; G99-K101 VanDerWaalsContact C-N 3.3Å; G99-K101 PolarHBondContact O-N 3.16Å; K101-Q103 VanDerWaalsContact C-N 3.28Å; K101-Q103 PolarHBondContact O-N 3.35Å; K101-M104 WeakPolarHBondContact O-CB 3.48Å; K101-M104 PolarHBondContact O-N 3.35Å; K101-E105 PolarHBondContact O-N 2.86Å; K101-I129 HydrophobicContact CB-CG2 3.97Å; K101-I129 HydrophobicContact CD-CG2 4.2Å; K101-I129 HydrophobicContact CG-CG2 4.01Å
102K89.8Confident89.8Confident125 Ų12553.5 Ų53.554%0.54327%0.268SS..Hα-helixtrans-61.7-35173.8-68.3175-175.91790112.4D98 G99 C100 R106D98-K102 WeakPolarHBondContact O-CG 3.5Å; D98-K102 PolarHBondContact O-N 3.35Å; G99-K102 WeakPolarHBondContact O-CB 3.08Å; G99-K102 PolarHBondContact O-N 3.45Å; G99-K102 VanDerWaalsContact O-N 3.08Å; C100-K102 VanDerWaalsContact C-N 3.32Å; C100-K102 PolarHBondContact O-N 2.86Å; K102-R106 VanDerWaalsContact O-CG 3.28Å; K102-R106 WeakPolarHBondContact O-CG 3.37Å; K102-R106 PolarHBondContact O-N 2.63Å; K102-R106 VanDerWaalsContact O-N 3.11Å
103Q90Very high89.8Confident60 Ų6060.5 Ų60.528%0.2830%0.301SS..Hα-helixtrans-70.1-35.9173.6-72.688.941.400112.2L57 G99 C100 K101 R106 L107L57-Q103 HydrophobicContact CD1-CB 4.23Å; L57-Q103 HydrophobicContact CD2-CB 4.28Å; G99-Q103 PolarHBondContact O-N 3.04Å; G99-Q103 PolarHBondContact O-NE2 3.34Å; G99-Q103 PolarHBondContact O-OE1 3.46Å; C100-Q103 PolarHBondContact O-N 3.28Å; K101-Q103 VanDerWaalsContact C-N 3.28Å; K101-Q103 PolarHBondContact O-N 3.35Å; Q103-R106 WeakPolarHBondContact O-CB 3.37Å; Q103-R106 PolarHBondContact O-N 2.99Å; Q103-L107 PolarHBondContact O-N 3.06Å; Q103-L107 VanDerWaalsContact O-N 3.14Å
104M93.4Very high89.8Confident4 Ų467 Ų672%0.0233%0.325CS..Hα-helixtrans-63.1-46.1173.2-63.3172.562.900111.5L57 L60 C89 V92 V96 C100 K101 R106 L107 L108 I129L57-M104 HydrophobicContact CD1-CG 4.09Å; L60-M104 HydrophobicContact CD1-CE 3.8Å; L60-M104 HydrophobicContact CD1-CG 3.76Å; L60-M104 HydrophobicContact CD1-SD 4.05Å; C89-M104 HydrophobicContact CB-CE 4.18Å; C89-M104 WeakPolarHBondContact O-CE 3.24Å; V92-M104 HydrophobicContact CB-CE 3.9Å; V92-M104 HydrophobicContact CB-SD 4.15Å; V92-M104 HydrophobicContact CG1-CE 4.06Å; V92-M104 HydrophobicContact CG1-SD 3.64Å; V96-M104 HydrophobicContact CG2-SD 4.3Å; C100-M104 WeakPolarHBondContact O-CG 3.39Å; C100-M104 PolarHBondContact O-N 2.94Å; K101-M104 WeakPolarHBondContact O-CB 3.48Å; K101-M104 PolarHBondContact O-N 3.35Å; M104-R106 VanDerWaalsContact C-N 3.29Å; M104-R106 PolarHBondContact O-N 3.46Å; M104-L107 WeakPolarHBondContact O-CB 3.5Å; M104-L107 PolarHBondContact O-N 3.16Å; M104-L108 WeakPolarHBondContact O-CG 3.43Å; M104-L108 PolarHBondContact O-N 3.26Å; M104-I129 HydrophobicContact CB-CD1 3.82Å; M104-I129 HydrophobicContact CE-CD1 3.89Å; M104-I129 HydrophobicContact CE-CG1 3.86Å
105E92.4Very high89.8Confident69 Ų6969.5 Ų69.532%0.32233%0.333SS..Hα-helixtrans-58.4-40.1175.5-73.4171.1-164.200112.5K101 L107 L108 N109K101-E105 PolarHBondContact O-N 2.86Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 3.4Å; E105-L108 PolarHBondContact O-N 3.09Å; E105-N109 VanDerWaalsContact O-CG 3.32Å; E105-N109 PolarHBondContact O-N 3.12Å; E105-N109 PolarHBondContact O-ND2 2.96Å
106R93.9Very high90.1Very high163 Ų16366.6 Ų66.662%0.61532%0.32SS*.Hα-helixtrans-59.3-42.6173.6-73.4172-175.9-168.30.5111.6K102 Q103 M104 N109 I110K102-R106 VanDerWaalsContact O-CG 3.28Å; K102-R106 WeakPolarHBondContact O-CG 3.37Å; K102-R106 PolarHBondContact O-N 2.63Å; K102-R106 VanDerWaalsContact O-N 3.11Å; Q103-R106 WeakPolarHBondContact O-CB 3.37Å; Q103-R106 PolarHBondContact O-N 2.99Å; M104-R106 VanDerWaalsContact C-N 3.29Å; M104-R106 PolarHBondContact O-N 3.46Å; R106-N109 PolarHBondContact O-N 3.32Å; R106-I110 WeakPolarHBondContact O-CG1 3.48Å; R106-I110 PolarHBondContact O-N 3.43Å; R106-I110 VanDerWaalsContact O-N 3.09Å
107L93.9Very high90.6Very high16 Ų1666.4 Ų66.48%0.08432%0.317CS..Hα-helixtrans-61.8-43.9175.3-67.1173.9000111.8L60 Y61 N64 Q103 M104 E105 N109 I110 W111L60-L107 HydrophobicContact CB-CD1 4.12Å; Y61-L107 HydrophobicContact CD1-CD1 3.84Å; Y61-L107 HydrophobicContact CD1-CD2 4.01Å; Y61-L107 HydrophobicContact CD1-CG 4.43Å; Y61-L107 HydrophobicContact CE1-CD1 3.9Å; Y61-L107 HydrophobicContact CE1-CD2 4.09Å; Y61-L107 HydrophobicContact CE1-CG 4.27Å; N64-L107 HydrophobicContact CB-CD2 4.11Å; Q103-L107 PolarHBondContact O-N 3.06Å; Q103-L107 VanDerWaalsContact O-N 3.14Å; M104-L107 WeakPolarHBondContact O-CB 3.5Å; M104-L107 PolarHBondContact O-N 3.16Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 3.4Å; L107-N109 VanDerWaalsContact C-N 3.33Å; L107-N109 PolarHBondContact O-N 3.06Å; L107-I110 WeakPolarHBondContact O-CB 3.45Å; L107-I110 PolarHBondContact O-N 3.42Å; L107-W111 VanDerWaalsContact O-CD1 3.3Å; L107-W111 PolarHBondContact O-N 3.36Å
108L94.1Very high90.9Very high4 Ų469.7 Ų69.72%0.02132%0.322CS..Hα-helixtrans-63.7-38178.1-62.7-173.9000112.4M104 E105 W111 K112 I122 L125 K126 I129M104-L108 WeakPolarHBondContact O-CG 3.43Å; M104-L108 PolarHBondContact O-N 3.26Å; E105-L108 PolarHBondContact O-N 3.09Å; L108-W111 HydrophobicContact CD2-CE3 3.72Å; L108-W111 HydrophobicContact CD2-CZ3 3.75Å; L108-W111 PolarHBondContact O-N 3.36Å; L108-K112 PolarHBondContact O-N 3.03Å; L108-I122 HydrophobicContact CB-CG2 4.29Å; L108-L125 HydrophobicContact CD1-CB 3.66Å; L108-L125 HydrophobicContact CD2-CB 3.94Å; L108-L125 HydrophobicContact CD2-CD1 3.6Å; L108-L125 HydrophobicContact CD2-CG 4.42Å; L108-L125 HydrophobicContact CG-CB 4.46Å; L108-K126 HydrophobicContact CD1-CG 3.77Å; L108-I129 HydrophobicContact CD1-CD1 3.63Å
109N92.2Very high91.2Very high58 Ų5866.8 Ų66.831%0.3132%0.317SS..Hα-helixtrans-64-41.2174.4-69.5-25.9000111.4E105 R106 L107 W111 K112 E113 K126E105-N109 VanDerWaalsContact O-CG 3.32Å; E105-N109 PolarHBondContact O-N 3.12Å; E105-N109 PolarHBondContact O-ND2 2.96Å; R106-N109 PolarHBondContact O-N 3.32Å; L107-N109 VanDerWaalsContact C-N 3.33Å; L107-N109 PolarHBondContact O-N 3.06Å; N109-W111 VanDerWaalsContact C-N 3.29Å; N109-W111 PolarHBondContact O-N 3.01Å; N109-K112 WeakPolarHBondContact O-CB 3.48Å; N109-K112 PolarHBondContact O-N 3.05Å; N109-E113 WeakPolarHBondContact O-CG 3.46Å; N109-E113 PolarHBondContact O-N 2.67Å; N109-K126 WeakPolarHBondContact OD1-CE 3.17Å; N109-K126 PolarHBondContact OD1-NZ 3.19Å
110I92.3Very high91.6Very high51 Ų5170.6 Ų70.626%0.26233%0.331SS..Hα-helixtrans-60.8-39.9174.5-66163.5000111R106 L107 K112 E113 R114R106-I110 WeakPolarHBondContact O-CG1 3.48Å; R106-I110 PolarHBondContact O-N 3.43Å; R106-I110 VanDerWaalsContact O-N 3.09Å; L107-I110 WeakPolarHBondContact O-CB 3.45Å; L107-I110 PolarHBondContact O-N 3.42Å; I110-K112 VanDerWaalsContact C-N 3.33Å; I110-K112 PolarHBondContact O-N 3.34Å; I110-E113 PolarHBondContact O-N 3.48Å; I110-R114 HydrophobicContact CG2-CG 4.4Å; I110-R114 WeakPolarHBondContact O-CB 3.33Å; I110-R114 WeakPolarHBondContact O-CG 3.28Å; I110-R114 PolarHBondContact O-N 3.17Å
111W94.2Very high91.9Very high6 Ų670 Ų702%0.02333%0.325CS..Hα-helixtrans-65.8-37.1177.9-66.81.3000112.5N64 I67 L85 L107 L108 N109 N115 L116 Y117 I122 L125N64-W111 HydrophobicContact CB-CZ2 4.32Å; N64-W111 PolarHBondContact OD1-NE1 3.12Å; I67-W111 HydrophobicContact CD1-CH2 4.06Å; I67-W111 HydrophobicContact CD1-CZ2 3.86Å; L85-W111 HydrophobicContact CD1-CH2 3.8Å; L85-W111 HydrophobicContact CD1-CZ3 3.55Å; L85-W111 HydrophobicContact CD2-CH2 3.54Å; L85-W111 HydrophobicContact CD2-CZ3 3.9Å; L85-W111 HydrophobicContact CG-CH2 4.32Å; L85-W111 HydrophobicContact CG-CZ3 4.3Å; L107-W111 VanDerWaalsContact O-CD1 3.3Å; L107-W111 PolarHBondContact O-N 3.36Å; L108-W111 HydrophobicContact CD2-CE3 3.72Å; L108-W111 HydrophobicContact CD2-CZ3 3.75Å; L108-W111 PolarHBondContact O-N 3.36Å; N109-W111 VanDerWaalsContact C-N 3.29Å; N109-W111 PolarHBondContact O-N 3.01Å; W111-N115 PolarHBondContact O-N 3.03Å; W111-L116 HydrophobicContact CB-CB 4.27Å; W111-L116 HydrophobicContact CB-CD1 4.25Å; W111-L116 HydrophobicContact CG-CD1 3.99Å; W111-L116 PolarHBondContact O-N 3.04Å; W111-Y117 HydrophobicContact CB-CD2 4.33Å; W111-Y117 HydrophobicContact CD2-CD2 4.14Å; W111-Y117 HydrophobicContact CD2-CE2 4.08Å; W111-Y117 AromaticContact CE3-CD2 3.66Å; W111-Y117 HydrophobicContact CE3-CD2 3.66Å; W111-Y117 AromaticContact CE3-CE2 3.63Å; W111-Y117 HydrophobicContact CE3-CE2 3.63Å; W111-Y117 HydrophobicContact CG-CD2 4.46Å; W111-Y117 HydrophobicContact CZ3-CD2 4.35Å; W111-Y117 AromaticContact CZ3-CE2 3.96Å; W111-Y117 HydrophobicContact CZ3-CE2 3.96Å; W111-I122 HydrophobicContact CB-CD1 3.76Å; W111-I122 HydrophobicContact CE3-CD1 4.23Å; W111-L125 HydrophobicContact CE3-CD1 4.23Å; W111-L125 HydrophobicContact CZ3-CD1 3.94Å
112K91.6Very high92.1Very high117 Ų11769 Ų6951%0.50932%0.321SS..Hα-helixtrans-64.8-52172.8-172.6179.5178.2179.20111.4L108 N109 I110 R114 N115 I122L108-K112 PolarHBondContact O-N 3.03Å; N109-K112 WeakPolarHBondContact O-CB 3.48Å; N109-K112 PolarHBondContact O-N 3.05Å; I110-K112 VanDerWaalsContact C-N 3.33Å; I110-K112 PolarHBondContact O-N 3.34Å; K112-R114 VanDerWaalsContact C-N 3.27Å; K112-R114 PolarHBondContact O-N 2.9Å; K112-N115 PolarHBondContact O-N 3.05Å; K112-N115 VanDerWaalsContact O-N 3.08Å; K112-I122 HydrophobicContact CB-CG1 4.28Å; K112-I122 HydrophobicContact CB-CG2 4.3Å
113E91.9Very high92.2Very high148 Ų14867.9 Ų67.969%0.69232%0.318SS*.Hα-helixtrans-58.9-37.5-178.9-73.7170.8-171.200112.7N109 I110 N115N109-E113 WeakPolarHBondContact O-CG 3.46Å; N109-E113 PolarHBondContact O-N 2.67Å; I110-E113 PolarHBondContact O-N 3.48Å; E113-N115 VanDerWaalsContact C-N 3.3Å; E113-N115 PolarHBondContact O-N 3.35Å
114R90.9Very high92.4Very high139 Ų13969.8 Ų69.853%0.52533%0.326SS..THydrogen-bonded Turntrans-87.64.3-179.5-65-174.5-179-161.210.3114.1K71 I110 K112 L116K71-R114 PolarHBondContact NZ-O 2.78Å; I110-R114 HydrophobicContact CG2-CG 4.4Å; I110-R114 WeakPolarHBondContact O-CB 3.33Å; I110-R114 WeakPolarHBondContact O-CG 3.28Å; I110-R114 PolarHBondContact O-N 3.17Å; K112-R114 VanDerWaalsContact C-N 3.27Å; K112-R114 PolarHBondContact O-N 2.9Å; R114-L116 VanDerWaalsContact C-N 3.26Å; R114-L116 HydrophobicContact CB-CD1 4.43Å; R114-L116 HydrophobicContact CB-CD2 4.38Å; R114-L116 HydrophobicContact CB-CG 3.98Å; R114-L116 PolarHBondContact O-N 3.44Å
115N89.9Confident92.4Very high126 Ų12669.6 Ų69.667%0.67433%0.325SS*.THydrogen-bonded Turntrans47.151.8-175-62.4-64.8000111K71 W111 K112 E113K71-N115 PolarHBondContact NZ-O 2.82Å; W111-N115 PolarHBondContact O-N 3.03Å; K112-N115 PolarHBondContact O-N 3.05Å; K112-N115 VanDerWaalsContact O-N 3.08Å; E113-N115 VanDerWaalsContact C-N 3.3Å; E113-N115 PolarHBondContact O-N 3.35Å
116L90.4Very high92.4Very high16 Ų1668.3 Ų68.38%0.08432%0.319CS..SBendtrans-83.2-36.4173.2-61.4178.3000110.9I67 Q68 K71 T78 W111 R114I67-L116 HydrophobicContact CG2-CB 4.43Å; I67-L116 HydrophobicContact CG2-CD1 4.07Å; Q68-L116 HydrophobicContact CG-CD1 3.61Å; K71-L116 HydrophobicContact CD-CD2 3.71Å; T78-L116 WeakPolarHBondContact CG2-O 3.26Å; W111-L116 HydrophobicContact CB-CB 4.27Å; W111-L116 HydrophobicContact CB-CD1 4.25Å; W111-L116 HydrophobicContact CG-CD1 3.99Å; W111-L116 PolarHBondContact O-N 3.04Å; R114-L116 VanDerWaalsContact C-N 3.26Å; R114-L116 HydrophobicContact CB-CD1 4.43Å; R114-L116 HydrophobicContact CB-CD2 4.38Å; R114-L116 HydrophobicContact CB-CG 3.98Å; R114-L116 PolarHBondContact O-N 3.44Å
117Y93.6Very high92.2Very high14 Ų1464.4 Ų64.46%0.05531%0.31CS..SBendtrans-133.9161.4174.8-64.1-70.6000110.7I67 T78 F81 E82 L85 W111 F121 I122I67-Y117 HydrophobicContact CD1-CE2 4.31Å; I67-Y117 WeakPolarHBondContact CD1-OH 3.47Å; I67-Y117 HydrophobicContact CG2-CE2 4.24Å; T78-Y117 HydrophobicContact CG2-CD1 4.1Å; T78-Y117 HydrophobicContact CG2-CE1 3.54Å; T78-Y117 WeakPolarHBondContact O-CE1 3.43Å; T78-Y117 PolarHBondContact O-OH 3.37Å; T78-Y117 VanDerWaalsContact O-OH 3.12Å; F81-Y117 WeakPolarHBondContact CB-OH 3.4Å; E82-Y117 HydrophobicContact CB-CE1 3.9Å; E82-Y117 HydrophobicContact CG-CD1 4.28Å; E82-Y117 HydrophobicContact CG-CE1 4.11Å; L85-Y117 HydrophobicContact CD1-CE2 3.77Å; L85-Y117 WeakPolarHBondContact CD1-OH 3.42Å; W111-Y117 HydrophobicContact CB-CD2 4.33Å; W111-Y117 HydrophobicContact CD2-CD2 4.14Å; W111-Y117 HydrophobicContact CD2-CE2 4.08Å; W111-Y117 AromaticContact CE3-CD2 3.66Å; W111-Y117 HydrophobicContact CE3-CD2 3.66Å; W111-Y117 AromaticContact CE3-CE2 3.63Å; W111-Y117 HydrophobicContact CE3-CE2 3.63Å; W111-Y117 HydrophobicContact CG-CD2 4.46Å; W111-Y117 HydrophobicContact CZ3-CD2 4.35Å; W111-Y117 AromaticContact CZ3-CE2 3.96Å; W111-Y117 HydrophobicContact CZ3-CE2 3.96Å; Y117-F121 AromaticContact CD1-CD1 3.84Å; Y117-F121 HydrophobicContact CD1-CD1 3.84Å; Y117-F121 AromaticContact CD1-CE1 3.93Å; Y117-F121 HydrophobicContact CD1-CE1 3.93Å; Y117-F121 HydrophobicContact CD2-CD1 4.36Å; Y117-F121 HydrophobicContact CD2-CE1 4.34Å; Y117-F121 HydrophobicContact CE1-CE1 4.21Å; Y117-F121 AromaticContact CG-CD1 3.74Å; Y117-F121 HydrophobicContact CG-CD1 3.74Å; Y117-F121 HydrophobicContact CG-CE1 4.02Å; Y117-I122 HydrophobicContact CD2-CD1 4.31Å
118R92.3Very high92Very high167 Ų16764.3 Ų64.363%0.6331%0.311SS*.  trans-69.1152.9176.3-63.6-179.4-74.1-162.6-5.2111.1E82 D120 F121 I122E82-R118 IonicContact OE1-NH2 3.18Å; R118-D120 VanDerWaalsContact C-N 3.32Å; R118-D120 WeakPolarHBondContact CB-OD1 3.18Å; R118-D120 PolarHBondContact O-N 3.14Å; R118-F121 PolarHBondContact O-N 3.46Å; R118-I122 WeakPolarHBondContact O-CG1 3.31Å; R118-I122 PolarHBondContact O-N 2.76Å
119G89Confident91.8Very high44 Ų4464.2 Ų64.245%0.45431%0.311SS..Hα-helixtrans-64.1-33.9-17400000114.3I122 Q123G119-I122 PolarHBondContact O-N 2.93Å; G119-Q123 PolarHBondContact O-N 3.24Å
120D92Very high91.3Very high106 Ų10666.3 Ų66.357%0.56732%0.318SS*.Hα-helixtrans-62.5-46.3173.658.8-25.8000111.8R118 Q123 Q124R118-D120 VanDerWaalsContact C-N 3.32Å; R118-D120 WeakPolarHBondContact CB-OD1 3.18Å; R118-D120 PolarHBondContact O-N 3.14Å; D120-Q123 WeakPolarHBondContact O-CB 3.11Å; D120-Q123 PolarHBondContact O-N 3.31Å; D120-Q124 PolarHBondContact O-N 2.9Å
121F92.7Very high90.4Very high15 Ų1570.3 Ų70.37%0.06634%0.34CS..Hα-helixtrans-64.8-41.5176.4-176-110.9000111.9E82 L85 V86 Y117 R118 Q123 Q124 L125E82-F121 HydrophobicContact CB-CZ 4.32Å; E82-F121 HydrophobicContact CG-CD1 4.25Å; E82-F121 HydrophobicContact CG-CD2 4.25Å; E82-F121 HydrophobicContact CG-CE1 3.8Å; E82-F121 HydrophobicContact CG-CE2 3.83Å; E82-F121 HydrophobicContact CG-CG 4.44Å; E82-F121 HydrophobicContact CG-CZ 3.58Å; E82-F121 WeakPolarHBondContact O-CZ 3.42Å; L85-F121 HydrophobicContact CB-CZ 4.12Å; L85-F121 HydrophobicContact CD1-CE1 4.3Å; V86-F121 HydrophobicContact CG2-CE2 3.72Å; V86-F121 HydrophobicContact CG2-CZ 4.23Å; Y117-F121 AromaticContact CD1-CD1 3.84Å; Y117-F121 HydrophobicContact CD1-CD1 3.84Å; Y117-F121 AromaticContact CD1-CE1 3.93Å; Y117-F121 HydrophobicContact CD1-CE1 3.93Å; Y117-F121 HydrophobicContact CD2-CD1 4.36Å; Y117-F121 HydrophobicContact CD2-CE1 4.34Å; Y117-F121 HydrophobicContact CE1-CE1 4.21Å; Y117-F121 AromaticContact CG-CD1 3.74Å; Y117-F121 HydrophobicContact CG-CD1 3.74Å; Y117-F121 HydrophobicContact CG-CE1 4.02Å; R118-F121 PolarHBondContact O-N 3.46Å; F121-Q123 VanDerWaalsContact C-N 3.28Å; F121-Q123 PolarHBondContact O-N 3.36Å; F121-Q124 WeakPolarHBondContact O-CB 3.38Å; F121-Q124 PolarHBondContact O-N 3.11Å; F121-L125 HydrophobicContact CD1-CD1 4.02Å; F121-L125 HydrophobicContact CD1-CG 4.41Å; F121-L125 HydrophobicContact CE1-CD1 3.62Å; F121-L125 HydrophobicContact CE1-CD2 4.41Å; F121-L125 HydrophobicContact CE1-CG 4.1Å; F121-L125 HydrophobicContact CZ-CD1 4.14Å; F121-L125 HydrophobicContact CZ-CD2 4.09Å; F121-L125 HydrophobicContact CZ-CG 4.21Å; F121-L125 WeakPolarHBondContact O-CG 3.41Å; F121-L125 PolarHBondContact O-N 3.29Å
122I93.9Very high88.8Confident2 Ų271.4 Ų71.41%0.0135%0.349CS..Hα-helixtrans-60.8-39.7173.9-64.4-61.8000111.1L108 W111 K112 Y117 R118 G119 L125 K126L108-I122 HydrophobicContact CB-CG2 4.29Å; W111-I122 HydrophobicContact CB-CD1 3.76Å; W111-I122 HydrophobicContact CE3-CD1 4.23Å; K112-I122 HydrophobicContact CB-CG1 4.28Å; K112-I122 HydrophobicContact CB-CG2 4.3Å; Y117-I122 HydrophobicContact CD2-CD1 4.31Å; R118-I122 WeakPolarHBondContact O-CG1 3.31Å; R118-I122 PolarHBondContact O-N 2.76Å; G119-I122 PolarHBondContact O-N 2.93Å; I122-L125 HydrophobicContact CD1-CD1 4.46Å; I122-L125 PolarHBondContact O-N 2.8Å; I122-K126 WeakPolarHBondContact O-CG 3.45Å; I122-K126 PolarHBondContact O-N 3.18Å
123Q92.3Very high86.7Confident100 Ų10069.7 Ų69.747%0.46735%0.352SS..Hα-helixtrans-64.2-41.4176-171.861.831.300111.4G119 D120 F121 L125 K126 L127G119-Q123 PolarHBondContact O-N 3.24Å; D120-Q123 WeakPolarHBondContact O-CB 3.11Å; D120-Q123 PolarHBondContact O-N 3.31Å; F121-Q123 VanDerWaalsContact C-N 3.28Å; F121-Q123 PolarHBondContact O-N 3.36Å; Q123-L125 VanDerWaalsContact C-N 3.31Å; Q123-L125 PolarHBondContact O-N 3.43Å; Q123-K126 PolarHBondContact O-N 3.4Å; Q123-L127 WeakPolarHBondContact O-CG 3.45Å; Q123-L127 PolarHBondContact O-N 2.95Å
124Q93.4Very high83.9Confident100 Ų10066.1 Ų66.147%0.46734%0.343SS..Hα-helixtrans-58.8-41.9174.4-172.5-1782100112V86 D120 F121 L127 A128V86-Q124 HydrophobicContact CG2-CG 4.25Å; D120-Q124 PolarHBondContact O-N 2.9Å; F121-Q124 WeakPolarHBondContact O-CB 3.38Å; F121-Q124 PolarHBondContact O-N 3.11Å; Q124-L127 PolarHBondContact O-N 3.39Å; Q124-A128 PolarHBondContact O-N 3.47Å
125L93Very high81.1Confident0 Ų065.5 Ų65.50%036%0.357CS..Hα-helixtrans-65.8-35.9176.3-66178.1000112.8L85 V86 C89 L108 W111 F121 I122 Q123 A128 I129L85-L125 HydrophobicContact CB-CD1 4.45Å; L85-L125 HydrophobicContact CB-CD2 3.92Å; V86-L125 HydrophobicContact CB-CD2 4.23Å; V86-L125 HydrophobicContact CG2-CD2 3.74Å; C89-L125 HydrophobicContact CB-CD2 4.42Å; L108-L125 HydrophobicContact CD1-CB 3.66Å; L108-L125 HydrophobicContact CD2-CB 3.94Å; L108-L125 HydrophobicContact CD2-CD1 3.6Å; L108-L125 HydrophobicContact CD2-CG 4.42Å; L108-L125 HydrophobicContact CG-CB 4.46Å; W111-L125 HydrophobicContact CE3-CD1 4.23Å; W111-L125 HydrophobicContact CZ3-CD1 3.94Å; F121-L125 HydrophobicContact CD1-CD1 4.02Å; F121-L125 HydrophobicContact CD1-CG 4.41Å; F121-L125 HydrophobicContact CE1-CD1 3.62Å; F121-L125 HydrophobicContact CE1-CD2 4.41Å; F121-L125 HydrophobicContact CE1-CG 4.1Å; F121-L125 HydrophobicContact CZ-CD1 4.14Å; F121-L125 HydrophobicContact CZ-CD2 4.09Å; F121-L125 HydrophobicContact CZ-CG 4.21Å; F121-L125 WeakPolarHBondContact O-CG 3.41Å; F121-L125 PolarHBondContact O-N 3.29Å; I122-L125 HydrophobicContact CD1-CD1 4.46Å; I122-L125 PolarHBondContact O-N 2.8Å; Q123-L125 VanDerWaalsContact C-N 3.31Å; Q123-L125 PolarHBondContact O-N 3.43Å; L125-A128 PolarHBondContact O-N 3.14Å; L125-I129 WeakPolarHBondContact O-CG1 3.37Å; L125-I129 PolarHBondContact O-N 2.94Å
126K92.1Very high78.5Confident43 Ų4369.9 Ų69.919%0.18736%0.364CS..Hα-helixtrans-65.9-46.5175-72-177.6176.8-1650111.7L108 N109 I122 Q123 A128 I129 E130L108-K126 HydrophobicContact CD1-CG 3.77Å; N109-K126 WeakPolarHBondContact OD1-CE 3.17Å; N109-K126 PolarHBondContact OD1-NZ 3.19Å; I122-K126 WeakPolarHBondContact O-CG 3.45Å; I122-K126 PolarHBondContact O-N 3.18Å; Q123-K126 PolarHBondContact O-N 3.4Å; K126-A128 VanDerWaalsContact C-N 3.27Å; K126-A128 PolarHBondContact O-N 2.85Å; K126-I129 WeakPolarHBondContact O-CB 3.27Å; K126-I129 PolarHBondContact O-N 3.04Å; K126-E130 PolarHBondContact O-N 2.99Å
127L90.9Very high75.7Confident81 Ų8175.1 Ų75.142%0.42440%0.399SS..Hα-helixtrans-58.9-39.7175.8-68.7172.2000111.7Q123 Q124 I129 E130 D131Q123-L127 WeakPolarHBondContact O-CG 3.45Å; Q123-L127 PolarHBondContact O-N 2.95Å; Q124-L127 PolarHBondContact O-N 3.39Å; L127-I129 PolarHBondContact O-N 3.03Å; L127-E130 PolarHBondContact O-N 3.07Å; L127-E130 VanDerWaalsContact O-N 3.16Å; L127-D131 WeakPolarHBondContact O-CB 3.47Å; L127-D131 PolarHBondContact O-N 3.08Å
128A89.7Confident73.2Confident13 Ų1379.7 Ų79.711%0.10743%0.434CS..Hα-helixtrans-61.2-29.7175.800000113.4V86 Q124 L125 K126 S132V86-A128 HydrophobicContact CG1-CB 4.37Å; Q124-A128 PolarHBondContact O-N 3.47Å; L125-A128 PolarHBondContact O-N 3.14Å; K126-A128 VanDerWaalsContact C-N 3.27Å; K126-A128 PolarHBondContact O-N 2.85Å; A128-S132 PolarHBondContact O-OG 2.94Å
129I88.7Confident70.4Confident2 Ų280.1 Ų80.11%0.0144%0.443CS..Hα-helixtrans-77.6-39.6175.3-64.2167.8000110.8C89 A93 K101 M104 L108 L125 K126 L127C89-I129 HydrophobicContact CB-CG1 4.23Å; A93-I129 HydrophobicContact CB-CB 4.23Å; A93-I129 HydrophobicContact CB-CG1 4.31Å; A93-I129 HydrophobicContact CB-CG2 4.06Å; K101-I129 HydrophobicContact CB-CG2 3.97Å; K101-I129 HydrophobicContact CD-CG2 4.2Å; K101-I129 HydrophobicContact CG-CG2 4.01Å; M104-I129 HydrophobicContact CB-CD1 3.82Å; M104-I129 HydrophobicContact CE-CD1 3.89Å; M104-I129 HydrophobicContact CE-CG1 3.86Å; L108-I129 HydrophobicContact CD1-CD1 3.63Å; L125-I129 WeakPolarHBondContact O-CG1 3.37Å; L125-I129 PolarHBondContact O-N 2.94Å; K126-I129 WeakPolarHBondContact O-CB 3.27Å; K126-I129 PolarHBondContact O-N 3.04Å; L127-I129 PolarHBondContact O-N 3.03Å
130E82.8Confident67.7Low102 Ų10285.9 Ų85.948%0.47746%0.458SS..Hα-helixtrans-74.3-42.9-178.1-70.8176.6-178.900113.3K126 L127 S132 S133K126-E130 PolarHBondContact O-N 2.99Å; L127-E130 PolarHBondContact O-N 3.07Å; L127-E130 VanDerWaalsContact O-N 3.16Å; E130-S132 PolarHBondContact O-N 3.27Å; E130-S133 VanDerWaalsContact O-CB 3.26Å; E130-S133 WeakPolarHBondContact O-CB 3.32Å; E130-S133 PolarHBondContact O-N 2.68Å; E130-S133 PolarHBondContact O-OG 3.02Å
131D72.6Confident65.5Low135 Ų13590.6 Ų90.672%0.72247%0.473SS*.G310 helixtrans-61.4-20.9-179.7-91.7-14.6000113L127 S133L127-D131 WeakPolarHBondContact O-CB 3.47Å; L127-D131 PolarHBondContact O-N 3.08Å; D131-S133 PolarHBondContact O-N 3.42Å
132S61.2Low62.5Low30 Ų3099.3 Ų99.321%0.2151%0.511CS..G310 helixtrans-76.3-4.9177.3-51.30000113.4S90 A128 E130S90-S132 PolarHBondContact O-OG 3.45Å; A128-S132 PolarHBondContact O-OG 2.94Å; E130-S132 PolarHBondContact O-N 3.27Å
133S47.3Very low59.6Low81 Ų81104.4 Ų104.457%0.56655%0.553SS**G310 helixtrans-85-3.2-175.565.60000115.5E130 D131E130-S133 VanDerWaalsContact O-CB 3.26Å; E130-S133 WeakPolarHBondContact O-CB 3.32Å; E130-S133 PolarHBondContact O-N 2.68Å; E130-S133 PolarHBondContact O-OG 3.02Å; D131-S133 PolarHBondContact O-N 3.42Å
134S34.1Very low57Low72 Ų72105.7 Ų105.750%0.50357%0.568SS.*SBendtrans-85.5127.6174.3-171.70000110.6R136S134-R136 PolarHBondContact O-N 3.48Å
135P31.4Very low53.9Low126 Ų126109.4 Ų109.482%0.81858%0.582SS**  trans-67111.517527-30.9000108.6
136R35.1Very low50.8Low218 Ų218120.9 Ų120.982%0.82363%0.626SS**  trans-114.3139.2168.3-70.6-170.4-172.2-165.74.7109.8S134S134-R136 PolarHBondContact O-N 3.48Å
137P32.7Very low47.8Very low126 Ų126124.3 Ų124.382%0.81866%0.655SS**  trans-65.5145.6174.6-4.319.3000110.1E139P137-E139 PolarHBondContact O-N 2.93Å
138S39.9Very low44.7Very low111 Ų111131.2 Ų131.278%0.77668%0.677SS**  trans-53.4121.1171.548.40000112.4
139E32.8Very low42Very low176 Ų176139 Ų13982%0.82271%0.711SS**  172.4141.1117.8-94.2179.5178.200112.9P137P137-E139 PolarHBondContact O-N 2.93Å
140E32.5Very low39.4Very low165 Ų165148.7 Ų148.777%0.77175%0.753SS**  trans62.7105.5157.9-60.3-164.2147.700122.7
141K46.7Very low37Very low204 Ų204151 Ų15189%0.88777%0.767SS**  trans32.998.2136.9-63.3179.2-176.4170.60116.8
142K29.9Very low35.3Very low199 Ų199152.7 Ų152.787%0.86577%0.771SS**  trans-127.6115154.6-76.9-173.5177.4177.70111.2
143A31.9Very low34.1Very low108 Ų108159.9 Ų159.989%0.89380%0.801SS**  trans-67.1130.8166.500000109.7
144V37.6Very low33.3Very low128 Ų128163.3 Ų163.378%0.77681%0.813SS**  trans-103.2114.1172.2176.10000109.7
145K29Very low33.8Very low178 Ų178168.9 Ų168.977%0.77483%0.831SS**  trans36111.7139.9-58.2-177.2177-176.40118.6
146R28.6Very low34Very low241 Ų241171.5 Ų171.591%0.90983%0.832SS**  trans-85.5121.9163.2-142.1177.5-169.6-168.20.2108.6
147S27.7Very low34Very low114 Ų114168.2 Ų168.280%0.79783%0.831SS**  trans-73.5129.3169.2-178.90000109.6
148Y27Very low34.7Very low227 Ų227169.1 Ų169.189%0.8983%0.829SS**  trans-86.2112171.5-102.8-91000108.7
149Q31.6Very low34.5Very low177 Ų177171.8 Ų171.883%0.82784%0.835SS**  trans-100.7122.5164.2-152.2168.29.400107.9I151Q149-I151 PolarHBondContact O-N 3.5Å
150K34.6Very low34.9Very low204 Ų204170.4 Ų170.489%0.88783%0.833SS**  trans-52.4115.6-178.8-163173.3-174.2178.20109.8Q152K150-Q152 PolarHBondContact O-N 3.35Å
151I33.7Very low35.4Very low152 Ų152169.5 Ų169.578%0.77983%0.833SS**  trans-75.7121.2174-62.7172.1000106.6Q149Q149-I151 PolarHBondContact O-N 3.5Å
152Q36.4Very low35.4Very low170 Ų170170 Ų17079%0.79483%0.831SS**  trans-72.8122.5162.6-79.5173.1-12.300107K150 D154K150-Q152 PolarHBondContact O-N 3.35Å; Q152-D154 PolarHBondContact O-N 2.94Å
153E34.9Very low36Very low181 Ų181171.9 Ų171.985%0.84683%0.833SS**  trans-75.6106.2170.4-72.7171.1163.800107
154D32Very low36.6Very low152 Ų152171.3 Ų171.381%0.81382%0.823SS**  trans-81.8116.9162.1-74-36.7000107.2Q152 E156Q152-D154 PolarHBondContact O-N 2.94Å; D154-E156 PolarHBondContact O-N 2.56Å
155E44.7Very low36.8Very low190 Ų190173.8 Ų173.889%0.88883%0.825SS**  trans-70.7111.6170.6-65-177.8163.200109.6
156E35.2Very low37.5Very low180 Ų180170.5 Ų170.584%0.84182%0.82SS**  trans-143.2105.4155.3-73.4-169.4169.800110.3D154D154-E156 PolarHBondContact O-N 2.56Å
157D35.3Very low37.9Very low150 Ų150164.1 Ų164.180%0.80281%0.813SS**  trans63.5107.8144.5-62.4-22.4000123
158D46.3Very low38.6Very low144 Ų144163 Ų16377%0.7780%0.802SS**  49.998.2128.1-82.8-39.8000120
159D35.8Very low39.4Very low168 Ų168163.6 Ų163.690%0.89880%0.803SS**  -172.888.8119.2-95.3-27.8000108.7
160D41.4Very low40.3Very low147 Ų147158.3 Ų158.379%0.78678%0.781SS**  trans-67.2129.5169-130.6-19.8000108.7
161D42.3Very low40.9Very low145 Ų145153.8 Ų153.878%0.77578%0.775SS**SBend-175.839.289.5-171.519.7000112
162Y46.7Very low41.9Very low216 Ų216150.9 Ų150.985%0.84776%0.761SS**SBendtrans-135.21.3-179.1-148.7-97.7000116.5
163R43.8Very low43Very low237 Ų237147.2 Ų147.289%0.89475%0.754SS**SBendtrans-105-7.7-175.9-102.1177.8160.1169.3-5.7115.9H165R163-H165 PolarHBondContact O-N 3.41Å
164S43.5Very low44.3Very low97 Ų97142.7 Ų142.768%0.67874%0.742SS**THydrogen-bonded Turntrans-82.6-3-169.2-119.30000116.4
165H42.6Very low45.9Very low179 Ų179136.9 Ų136.983%0.82972%0.715SS**THydrogen-bonded Turntrans-130.913.2-173.6-70.3-53.7000117.7R163R163-H165 PolarHBondContact O-N 3.41Å
166T43.2Very low47.3Very low110 Ų110132.7 Ų132.768%0.67570%0.699SS**  trans-110.911.8-176.6620000116.6
167S36.8Very low49.5Very low107 Ų107129.3 Ų129.375%0.74868%0.683SS**SBendtrans-95.6115153.5-79.70000107.2R169S167-R169 PolarHBondContact O-N 2.98Å
168P42.8Very low51.8Low89 Ų89124.2 Ų124.258%0.57866%0.656SS**  trans-56101.5157.1-1226000105N170P168-N170 PolarHBondContact O-N 2.91Å
169R44.8Very low53.8Low241 Ų241119.5 Ų119.591%0.90963%0.632SS**  trans-61.892.7163.6-141.4176.1177.6176.9-1.3102.2S167 S171S167-R169 PolarHBondContact O-N 2.98Å; R169-S171 PolarHBondContact O-N 3.38Å
170N48.7Very low56.4Low66 Ų66118.2 Ų118.235%0.35362%0.621SS.*  trans-53.8111.6178.8-88.65.3000105.8P168 D172 R274P168-N170 PolarHBondContact O-N 2.91Å; N170-D172 PolarHBondContact O-N 2.83Å; N170-R274 PolarHBondContact ND2-NH2 2.9Å; N170-R274 VanDerWaalsContact ND2-NH2 3.18Å
171S47.5Very low58.7Low109 Ų109116 Ų11676%0.76261%0.605SS**  trans-75.224.8-179.256.80000112.1R169 S173R169-S171 PolarHBondContact O-N 3.38Å; S171-S173 PolarHBondContact O-N 3.37Å
172D55.7Low61.1Low91 Ų91109.7 Ų109.749%0.48757%0.572SS.*  trans-84.477.9175-87.2-26.6000108.8N170 S174 A175 N176N170-D172 PolarHBondContact O-N 2.83Å; D172-S174 PolarHBondContact O-N 2.79Å; D172-S174 VanDerWaalsContact O-N 3.16Å; D172-A175 HydrophobicContact CB-CB 4Å; D172-A175 PolarHBondContact O-N 3.47Å; D172-N176 PolarHBondContact O-N 2.91Å
173S60.1Low63.3Low93 Ų93102.7 Ų102.765%0.6555%0.551SS**Hα-helixtrans-47.4-34.5165.933.40000111.7S171 Q177S171-S173 PolarHBondContact O-N 3.37Å; S173-Q177 VanDerWaalsContact O-CB 3.3Å; S173-Q177 WeakPolarHBondContact O-CB 3.22Å; S173-Q177 PolarHBondContact O-N 2.86Å
174S62.3Low65.5Low85 Ų8597.6 Ų97.659%0.59454%0.536SS*.Hα-helixtrans-64.4-39176.3-175.80000114.2D172 Q177 L178D172-S174 PolarHBondContact O-N 2.79Å; D172-S174 VanDerWaalsContact O-N 3.16Å; S174-Q177 PolarHBondContact O-N 3.42Å; S174-L178 PolarHBondContact O-N 3.04Å
175A65.6Low67.7Low31 Ų3194.2 Ų94.226%0.25651%0.514SS..Hα-helixtrans-75.5-35.2-178.200000111.6D172 T179D172-A175 HydrophobicContact CB-CB 4Å; D172-A175 PolarHBondContact O-N 3.47Å; A175-T179 PolarHBondContact O-N 3.39Å; A175-T179 PolarHBondContact O-OG1 3.24Å
176N73.5Confident69.9Low101 Ų10188.8 Ų88.854%0.5449%0.491SS..Hα-helixtrans-66.7-40.4172.5-73.6-11.5000111D172 T179 E180D172-N176 PolarHBondContact O-N 2.91Å; N176-T179 WeakPolarHBondContact O-CB 3.21Å; N176-T179 PolarHBondContact O-N 3.07Å; N176-E180 WeakPolarHBondContact O-CG 3.23Å; N176-E180 PolarHBondContact O-N 3.09Å
177Q80.3Confident72Confident110 Ų11088.9 Ų88.951%0.51448%0.483SS..Hα-helixtrans-64.3-45.7178.1-168.816710.700112.5S173 S174 T179 E180 E181S173-Q177 VanDerWaalsContact O-CB 3.3Å; S173-Q177 WeakPolarHBondContact O-CB 3.22Å; S173-Q177 PolarHBondContact O-N 2.86Å; S174-Q177 PolarHBondContact O-N 3.42Å; Q177-T179 PolarHBondContact O-N 3.34Å; Q177-E180 PolarHBondContact O-N 3.32Å; Q177-E181 WeakPolarHBondContact O-CG 3.3Å; Q177-E181 PolarHBondContact O-N 3Å
178L84.3Confident74.3Confident43 Ų4388.6 Ų88.623%0.22547%0.473CS..Hα-helixtrans-59-35.7174.4-166.190.5000112.1S174 L182 Y263S174-L178 PolarHBondContact O-N 3.04Å; L178-L182 WeakPolarHBondContact O-CB 3.49Å; L178-L182 PolarHBondContact O-N 3.04Å; L178-L182 VanDerWaalsContact O-N 3.1Å; L178-Y263 HydrophobicContact CD2-CD2 3.39Å; L178-Y263 HydrophobicContact CD2-CE2 4.13Å; L178-Y263 HydrophobicContact CD2-CG 4.12Å; L178-Y263 HydrophobicContact CG-CD2 3.91Å
179T87.9Confident76.3Confident45 Ų4586.2 Ų86.228%0.27646%0.456SS..Hα-helixtrans-68.1-46.3176.8-53.80000111.3A175 N176 Q177 L182 V183 Y263A175-T179 PolarHBondContact O-N 3.39Å; A175-T179 PolarHBondContact O-OG1 3.24Å; N176-T179 WeakPolarHBondContact O-CB 3.21Å; N176-T179 PolarHBondContact O-N 3.07Å; Q177-T179 PolarHBondContact O-N 3.34Å; T179-L182 PolarHBondContact O-N 2.87Å; T179-V183 WeakPolarHBondContact O-CB 3.33Å; T179-V183 VanDerWaalsContact O-CG2 3.24Å; T179-V183 WeakPolarHBondContact O-CG2 3.46Å; T179-V183 PolarHBondContact O-N 2.94Å; T179-Y263 HydrophobicContact CG2-CE2 4.44Å; T179-Y263 WeakPolarHBondContact OG1-CE2 3.25Å; T179-Y263 PolarHBondContact OG1-OH 3.08Å
180E90.4Very high78Confident141 Ų14182.3 Ų82.366%0.65945%0.448SS*.Hα-helixtrans-63-44.6178.2-73.4176.9-170.700111.9N176 Q177 L182 V183 K184N176-E180 WeakPolarHBondContact O-CG 3.23Å; N176-E180 PolarHBondContact O-N 3.09Å; Q177-E180 PolarHBondContact O-N 3.32Å; E180-L182 PolarHBondContact O-N 3.36Å; E180-V183 PolarHBondContact O-N 2.64Å; E180-K184 WeakPolarHBondContact O-CB 3.38Å; E180-K184 PolarHBondContact O-N 2.88Å
181E90.5Very high79.3Confident99 Ų9986.1 Ų86.146%0.46347%0.468SS..Hα-helixtrans-61.4-44177.2-73177.3-169.800111.9Q177 K184 A185 M259Q177-E181 WeakPolarHBondContact O-CG 3.3Å; Q177-E181 PolarHBondContact O-N 3Å; E181-K184 PolarHBondContact O-N 3.46Å; E181-A185 PolarHBondContact O-N 3.44Å; E181-M259 HydrophobicContact CB-CE 3.97Å
182L92.2Very high81Confident13 Ų1381.7 Ų81.77%0.06844%0.438CS..Hα-helixtrans-66.4-40.2177.8-179.962.4000112.2L178 T179 E180 K184 A185 L186 L256 M259 L260 Y263L178-L182 WeakPolarHBondContact O-CB 3.49Å; L178-L182 PolarHBondContact O-N 3.04Å; L178-L182 VanDerWaalsContact O-N 3.1Å; T179-L182 PolarHBondContact O-N 2.87Å; E180-L182 PolarHBondContact O-N 3.36Å; L182-K184 VanDerWaalsContact C-N 3.34Å; L182-A185 PolarHBondContact O-N 3.23Å; L182-L186 HydrophobicContact CD1-CD1 4.42Å; L182-L186 HydrophobicContact CG-CD1 4.15Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 2.97Å; L182-L256 HydrophobicContact CD1-CD1 3.6Å; L182-M259 HydrophobicContact CB-CE 4.42Å; L182-M259 HydrophobicContact CD1-CB 4.09Å; L182-L260 HydrophobicContact CD1-CD2 3.85Å; L182-L260 HydrophobicContact CD1-CG 4.07Å; L182-L260 HydrophobicContact CD2-CD2 4.06Å; L182-L260 HydrophobicContact CG-CD2 4.49Å; L182-Y263 HydrophobicContact CD2-CD1 3.87Å; L182-Y263 HydrophobicContact CD2-CD2 3.67Å; L182-Y263 HydrophobicContact CD2-CE1 4.35Å; L182-Y263 HydrophobicContact CD2-CE2 4.22Å; L182-Y263 HydrophobicContact CD2-CG 3.52Å
183V92.1Very high81.8Confident69 Ų6977.9 Ų77.942%0.41842%0.419SS..Hα-helixtrans-62.5-44.4176.7167.90000110.5T179 E180 L186 Q187T179-V183 WeakPolarHBondContact O-CB 3.33Å; T179-V183 VanDerWaalsContact O-CG2 3.24Å; T179-V183 WeakPolarHBondContact O-CG2 3.46Å; T179-V183 PolarHBondContact O-N 2.94Å; E180-V183 PolarHBondContact O-N 2.64Å; V183-L186 PolarHBondContact O-N 3.48Å; V183-Q187 WeakPolarHBondContact O-CG 3.15Å; V183-Q187 PolarHBondContact O-N 2.73Å
184K90.7Very high82.6Confident130 Ų13076 Ų7657%0.56541%0.406SS*.Hα-helixtrans-60.7-48.5176.8-172.4-178.3176.4-173.40111.6E180 E181 L182 L186 Q187 D188E180-K184 WeakPolarHBondContact O-CB 3.38Å; E180-K184 PolarHBondContact O-N 2.88Å; E181-K184 PolarHBondContact O-N 3.46Å; L182-K184 VanDerWaalsContact C-N 3.34Å; K184-L186 PolarHBondContact O-N 3.47Å; K184-Q187 PolarHBondContact O-N 3.45Å; K184-Q187 VanDerWaalsContact O-N 3.08Å; K184-D188 PolarHBondContact O-N 3.39Å
185A89.9Confident83.3Confident26 Ų2674.4 Ų74.422%0.21540%0.403CS..Hα-helixtrans-60.2-33.5177.900000113.1E181 L182 L189 L256 M259E181-A185 PolarHBondContact O-N 3.44Å; L182-A185 PolarHBondContact O-N 3.23Å; A185-L189 PolarHBondContact O-N 2.68Å; A185-L256 HydrophobicContact CB-CD1 3.93Å; A185-M259 HydrophobicContact CB-CE 4.19Å; A185-M259 HydrophobicContact CB-SD 4.08Å
186L88.6Confident84.2Confident66 Ų6675.1 Ų75.135%0.34640%0.402SS..Hα-helixtrans-71.1-36.9174.7-74.8166.4000113L182 V183 K184 L256L182-L186 HydrophobicContact CD1-CD1 4.42Å; L182-L186 HydrophobicContact CG-CD1 4.15Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 2.97Å; V183-L186 PolarHBondContact O-N 3.48Å; K184-L186 PolarHBondContact O-N 3.47Å; L186-L256 HydrophobicContact CD2-CD1 4.09Å; L186-L256 HydrophobicContact CD2-CD2 3.88Å; L186-L256 HydrophobicContact CG-CD1 4.11Å
187Q88.1Confident85Confident111 Ų11173 Ų7352%0.51940%0.399SS..Hα-helixtrans-69.9-42176.7-73.1173-14.100111.6V183 K184 L189 E190V183-Q187 WeakPolarHBondContact O-CG 3.15Å; V183-Q187 PolarHBondContact O-N 2.73Å; K184-Q187 PolarHBondContact O-N 3.45Å; K184-Q187 VanDerWaalsContact O-N 3.08Å; Q187-L189 PolarHBondContact O-N 3.32Å; Q187-E190 VanDerWaalsContact O-CB 3.32Å; Q187-E190 WeakPolarHBondContact O-CB 3.09Å; Q187-E190 PolarHBondContact O-N 2.86Å; Q187-E190 VanDerWaalsContact O-N 3.09Å
188D85.2Confident85.4Confident101 Ų10170.6 Ų70.654%0.5440%0.398SS..Hα-helixtrans-62.5-35.4178.7-67.9-22.2000111.1K184 E190 N191K184-D188 PolarHBondContact O-N 3.39Å; D188-E190 VanDerWaalsContact C-N 3.3Å; D188-E190 PolarHBondContact O-N 3.37Å; D188-N191 PolarHBondContact O-N 3.29Å
189L85.1Confident85.7Confident40 Ų4069.5 Ų69.521%0.20939%0.393CS..Hα-helixtrans-71.2-20.3176.8-165.468.2000113.8A185 Q187 N191 A192 E249 R253 L256A185-L189 PolarHBondContact O-N 2.68Å; Q187-L189 PolarHBondContact O-N 3.32Å; L189-N191 PolarHBondContact O-N 3.17Å; L189-A192 HydrophobicContact CD1-CB 4.07Å; L189-A192 VanDerWaalsContact O-CB 3.27Å; L189-A192 WeakPolarHBondContact O-CB 3.36Å; L189-A192 PolarHBondContact O-N 2.87Å; L189-E249 HydrophobicContact CD1-CG 4.12Å; L189-R253 HydrophobicContact CD1-CG 3.67Å; L189-R253 HydrophobicContact CD2-CG 4.08Å; L189-L256 HydrophobicContact CD2-CD2 3.55Å
190E80Confident85.8Confident158 Ų15871.7 Ų71.774%0.73840%0.396SS*.Hα-helixtrans-67.6-25.9176.5-164.5166.8-168.600111.9Q187 D188Q187-E190 VanDerWaalsContact O-CB 3.32Å; Q187-E190 WeakPolarHBondContact O-CB 3.09Å; Q187-E190 PolarHBondContact O-N 2.86Å; Q187-E190 VanDerWaalsContact O-N 3.09Å; D188-E190 VanDerWaalsContact C-N 3.3Å; D188-E190 PolarHBondContact O-N 3.37Å
191N76.6Confident86Confident146 Ų14671.9 Ų71.978%0.78140%0.397SS*.THydrogen-bonded Turntrans-100.420.2177.5-63.2-55.9000113.5D188 L189D188-N191 PolarHBondContact O-N 3.29Å; L189-N191 PolarHBondContact O-N 3.17Å
192A81.3Confident86.1Confident17 Ų1773.4 Ų73.414%0.1440%0.402CS..  trans-71.1166.2-173.600000114L189 S194 G195 E249L189-A192 HydrophobicContact CD1-CB 4.07Å; L189-A192 VanDerWaalsContact O-CB 3.27Å; L189-A192 WeakPolarHBondContact O-CB 3.36Å; L189-A192 PolarHBondContact O-N 2.87Å; A192-S194 VanDerWaalsContact C-N 3.27Å; A192-S194 PolarHBondContact O-N 2.97Å; A192-G195 VanDerWaalsContact O-CA 3.29Å; A192-G195 WeakPolarHBondContact O-CA 3.38Å; A192-G195 PolarHBondContact O-N 2.66Å; A192-E249 VanDerWaalsContact CB-CD 3.43Å; A192-E249 HydrophobicContact CB-CG 3.8Å
193A73.8Confident86.1Confident11 Ų1174.7 Ų74.79%0.09141%0.408CS..G310 helixtrans-60.2-33.4-177.900000113.4G195 D196 R245 E249A193-G195 PolarHBondContact O-N 3.09Å; A193-D196 VanDerWaalsContact O-CB 3.32Å; A193-D196 WeakPolarHBondContact O-CB 3.24Å; A193-D196 PolarHBondContact O-N 3.26Å; A193-R245 HydrophobicContact CB-CB 3.74Å; A193-E249 PolarHBondContact N-OE2 3.42Å; A193-E249 VanDerWaalsContact N-OE2 3.15Å
194S76.9Confident86.2Confident54 Ų5475.6 Ų75.638%0.37842%0.423SS..G310 helixtrans-67-12.9170.9-165.20000113.1A192 R200 E249A192-S194 VanDerWaalsContact C-N 3.27Å; A192-S194 PolarHBondContact O-N 2.97Å; S194-R200 PolarHBondContact O-NH1 2.92Å; S194-R200 PolarHBondContact O-NH2 3.32Å; S194-E249 WeakPolarHBondContact CB-OE1 3.43Å; S194-E249 VanDerWaalsContact CB-OE2 3.27Å; S194-E249 WeakPolarHBondContact CB-OE2 3.47Å; S194-E249 PolarHBondContact N-OE2 3.46Å
195G77.4Confident86.3Confident50 Ų5073.6 Ų73.652%0.51543%0.426SS..G310 helixtrans-83.5-21.4167.300000113.9A192 A193 A197A192-G195 VanDerWaalsContact O-CA 3.29Å; A192-G195 WeakPolarHBondContact O-CA 3.38Å; A192-G195 PolarHBondContact O-N 2.66Å; A193-G195 PolarHBondContact O-N 3.09Å; G195-A197 VanDerWaalsContact C-N 3.35Å; G195-A197 PolarHBondContact O-N 3.27Å
196D84.6Confident86.5Confident47 Ų4774.4 Ų74.425%0.25143%0.426SS..  trans-75.179.8-176-170.2-12.4000112.3A193 A198 V199 R200 R245A193-D196 VanDerWaalsContact O-CB 3.32Å; A193-D196 WeakPolarHBondContact O-CB 3.24Å; A193-D196 PolarHBondContact O-N 3.26Å; D196-A198 VanDerWaalsContact C-N 3.25Å; D196-A198 PolarHBondContact O-N 3.06Å; D196-A198 PolarHBondContact OD1-N 3.1Å; D196-V199 PolarHBondContact OD1-N 2.59Å; D196-V199 VanDerWaalsContact OD1-N 3.09Å; D196-V199 WeakPolarHBondContact OD2-CG2 3.3Å; D196-R200 PolarHBondContact O-N 2.94Å; D196-R200 PolarHBondContact O-NH1 3.32Å; D196-R200 VanDerWaalsContact O-NH1 3.12Å; D196-R245 IonicContact OD2-CZ 2.75Å; D196-R245 IonicContact OD2-NH1 3.99Å; D196-R245 PolarHBondContact OD2-NH1 3.02Å
197A88.6Confident86.7Confident56 Ų5673.6 Ų73.646%0.46343%0.425SS..Hα-helixtrans-63.3-31.1-17900000112.8G195 R200 Q201G195-A197 VanDerWaalsContact C-N 3.35Å; G195-A197 PolarHBondContact O-N 3.27Å; A197-R200 PolarHBondContact O-N 3.42Å; A197-Q201 WeakPolarHBondContact O-CB 3.38Å; A197-Q201 PolarHBondContact O-N 3.14Å
198A89.3Confident86.8Confident60 Ų6073.5 Ų73.550%0.49643%0.425SS..Hα-helixtrans-67.2-45.8-178.300000111.4D196 Q201 K202D196-A198 VanDerWaalsContact C-N 3.25Å; D196-A198 PolarHBondContact O-N 3.06Å; D196-A198 PolarHBondContact OD1-N 3.1Å; A198-Q201 PolarHBondContact O-N 3.39Å; A198-K202 PolarHBondContact O-N 3.49Å
199V89.9Confident87Confident20 Ų2072.9 Ų72.912%0.12142%0.418CS..Hα-helixtrans-66-40.8176.3170.60000111.2D196 Q201 K202 I203 L238 Y242D196-V199 PolarHBondContact OD1-N 2.59Å; D196-V199 VanDerWaalsContact OD1-N 3.09Å; D196-V199 WeakPolarHBondContact OD2-CG2 3.3Å; V199-Q201 VanDerWaalsContact C-N 3.33Å; V199-Q201 PolarHBondContact O-N 2.99Å; V199-K202 PolarHBondContact O-N 3.35Å; V199-I203 HydrophobicContact CG1-CD1 3.91Å; V199-I203 HydrophobicContact CG1-CG1 4.49Å; V199-I203 WeakPolarHBondContact O-CG1 3.25Å; V199-I203 PolarHBondContact O-N 3.5Å; V199-L238 HydrophobicContact CG1-CD1 4.04Å; V199-Y242 HydrophobicContact CG1-CD2 3.59Å; V199-Y242 HydrophobicContact CG1-CE2 4.31Å; V199-Y242 HydrophobicContact CG1-CG 4.24Å
200R91.7Very high87.4Confident91 Ų9172.4 Ų72.434%0.34342%0.417SS..Hα-helixtrans-60.5-41.9175.1-71.5-165.1-57.2-83.914.3112.7S194 D196 A197 K202 I203 A204 Y242S194-R200 PolarHBondContact O-NH1 2.92Å; S194-R200 PolarHBondContact O-NH2 3.32Å; D196-R200 PolarHBondContact O-N 2.94Å; D196-R200 PolarHBondContact O-NH1 3.32Å; D196-R200 VanDerWaalsContact O-NH1 3.12Å; A197-R200 PolarHBondContact O-N 3.42Å; R200-K202 VanDerWaalsContact C-N 3.35Å; R200-I203 PolarHBondContact O-N 3.02Å; R200-A204 WeakPolarHBondContact O-CB 3.38Å; R200-A204 PolarHBondContact O-N 3.16Å; R200-Y242 HydrophobicContact CG-CE2 4.03Å; R200-Y242 WeakPolarHBondContact CG-OH 3.47Å
201Q93.5Very high87.8Confident144 Ų14472.2 Ų72.267%0.67342%0.416SS*.Hα-helixtrans-63.9-41.8177.1-174.2177.50.900111.3A197 A198 V199 A204 S205A197-Q201 WeakPolarHBondContact O-CB 3.38Å; A197-Q201 PolarHBondContact O-N 3.14Å; A198-Q201 PolarHBondContact O-N 3.39Å; V199-Q201 VanDerWaalsContact C-N 3.33Å; V199-Q201 PolarHBondContact O-N 2.99Å; Q201-A204 PolarHBondContact O-N 3.19Å; Q201-S205 WeakPolarHBondContact O-CB 3.28Å; Q201-S205 PolarHBondContact O-N 3.19Å; Q201-S205 PolarHBondContact O-OG 2.92Å
202K92.3Very high88.6Confident132 Ų13267.6 Ų67.657%0.57439%0.391SS*.Hα-helixtrans-59.6-46.8175-75.4-176.6178.8-176.40112A198 V199 R200 A204 S205 L206 L238A198-K202 PolarHBondContact O-N 3.49Å; V199-K202 PolarHBondContact O-N 3.35Å; R200-K202 VanDerWaalsContact C-N 3.35Å; K202-A204 VanDerWaalsContact C-N 3.35Å; K202-A204 PolarHBondContact O-N 2.76Å; K202-S205 WeakPolarHBondContact CA-OG 3.16Å; K202-S205 PolarHBondContact O-N 3.03Å; K202-S205 PolarHBondContact O-OG 3.31Å; K202-L206 PolarHBondContact O-N 3.27Å; K202-L238 HydrophobicContact CB-CD2 4.09Å
203I92.6Very high89.1Confident39 Ų3972.2 Ų72.220%0.242%0.418CS..Hα-helixtrans-60.7-44.3176.5-66.6167.4000110.8V199 R200 S205 L206 L238 L239 Y242V199-I203 HydrophobicContact CG1-CD1 3.91Å; V199-I203 HydrophobicContact CG1-CG1 4.49Å; V199-I203 WeakPolarHBondContact O-CG1 3.25Å; V199-I203 PolarHBondContact O-N 3.5Å; R200-I203 PolarHBondContact O-N 3.02Å; I203-S205 VanDerWaalsContact C-N 3.25Å; I203-S205 PolarHBondContact O-N 3.34Å; I203-L206 HydrophobicContact CG2-CD1 4.43Å; I203-L206 WeakPolarHBondContact O-CB 3.45Å; I203-L206 WeakPolarHBondContact O-CG 3.34Å; I203-L206 PolarHBondContact O-N 3.28Å; I203-L238 HydrophobicContact CD1-CG 4.48Å; I203-L238 HydrophobicContact CG1-CD2 3.72Å; I203-L238 HydrophobicContact CG1-CG 3.91Å; I203-L239 HydrophobicContact CD1-CD2 4.29Å; I203-L239 HydrophobicContact CG1-CD2 4.26Å; I203-L239 HydrophobicContact CG2-CD2 3.72Å; I203-Y242 HydrophobicContact CD1-CD1 3.69Å; I203-Y242 HydrophobicContact CD1-CD2 4.02Å; I203-Y242 HydrophobicContact CD1-CE1 4.3Å; I203-Y242 HydrophobicContact CD1-CG 3.51Å
204A93.4Very high90Very high88 Ų8875.6 Ų75.673%0.72744%0.441SS*.Hα-helixtrans-66.8-25.6178.900000113.5R200 Q201 K202 L206R200-A204 WeakPolarHBondContact O-CB 3.38Å; R200-A204 PolarHBondContact O-N 3.16Å; Q201-A204 PolarHBondContact O-N 3.19Å; K202-A204 VanDerWaalsContact C-N 3.35Å; K202-A204 PolarHBondContact O-N 2.76Å; A204-L206 VanDerWaalsContact C-N 3.34Å
205S94.3Very high90.7Very high89 Ų8974.1 Ų74.162%0.62243%0.428SS*.THydrogen-bonded Turntrans-87.51.9177.165.90000114.4Q201 K202 I203Q201-S205 WeakPolarHBondContact O-CB 3.28Å; Q201-S205 PolarHBondContact O-N 3.19Å; Q201-S205 PolarHBondContact O-OG 2.92Å; K202-S205 WeakPolarHBondContact CA-OG 3.16Å; K202-S205 PolarHBondContact O-N 3.03Å; K202-S205 PolarHBondContact O-OG 3.31Å; I203-S205 VanDerWaalsContact C-N 3.25Å; I203-S205 PolarHBondContact O-N 3.34Å
206L94.1Very high91.3Very high43 Ų4375.8 Ų75.823%0.22543%0.425CS..  trans-61.1135.1178.1-72.7173.4000110.4K202 I203 A204 V210 A235 L239K202-L206 PolarHBondContact O-N 3.27Å; I203-L206 HydrophobicContact CG2-CD1 4.43Å; I203-L206 WeakPolarHBondContact O-CB 3.45Å; I203-L206 WeakPolarHBondContact O-CG 3.34Å; I203-L206 PolarHBondContact O-N 3.28Å; A204-L206 VanDerWaalsContact C-N 3.34Å; L206-V210 HydrophobicContact CB-CG2 3.96Å; L206-A235 HydrophobicContact CD1-CB 3.95Å; L206-A235 HydrophobicContact CD2-CB 3.74Å; L206-A235 HydrophobicContact CG-CB 4.48Å; L206-L239 HydrophobicContact CD1-CD1 4.47Å
207P92.4Very high91.6Very high49 Ų4982 Ų8232%0.31845%0.452SS..  trans-63150.2-177.820-27.2000112.1E209 V210 T231P207-E209 VanDerWaalsContact CB-OE2 3.26Å; P207-E209 WeakPolarHBondContact CB-OE2 3.32Å; P207-E209 PolarHBondContact O-N 2.86Å; P207-V210 HydrophobicContact CG-CG1 3.86Å; P207-V210 HydrophobicContact CG-CG2 4.28Å; P207-V210 WeakPolarHBondContact O-CG2 3.47Å; P207-V210 PolarHBondContact O-N 3.43Å; P207-V210 VanDerWaalsContact O-N 3.15Å; P207-T231 HydrophobicContact CG-CG2 3.94Å
208Q89.8Confident91.6Very high109 Ų10986.7 Ų86.751%0.50946%0.462SS..G310 helixtrans-66-26.6-177.8-168.3175.6-13.900111.8V210 Q211 D212 L215Q208-V210 PolarHBondContact O-N 3.16Å; Q208-Q211 HydrophobicContact CG-CG 4.4Å; Q208-Q211 WeakPolarHBondContact O-CG 3.45Å; Q208-Q211 PolarHBondContact O-N 2.9Å; Q208-Q211 VanDerWaalsContact O-N 3.09Å; Q208-D212 HydrophobicContact CG-CB 4.2Å; Q208-D212 WeakPolarHBondContact O-CB 3.37Å; Q208-D212 PolarHBondContact O-N 2.9Å; Q208-L215 HydrophobicContact CB-CD1 3.94Å; Q208-L215 HydrophobicContact CG-CD1 3.76Å
209E90.3Very high91.7Very high87 Ų8786.4 Ų86.441%0.40745%0.452SS..G310 helixtrans-62.2-22.9176.9-62.279.2-177.400113.1P207 Q211 L215 L228P207-E209 VanDerWaalsContact CB-OE2 3.26Å; P207-E209 WeakPolarHBondContact CB-OE2 3.32Å; P207-E209 PolarHBondContact O-N 2.86Å; E209-Q211 VanDerWaalsContact C-N 3.35Å; E209-L215 HydrophobicContact CG-CB 4.34Å; E209-L215 HydrophobicContact CG-CD1 4.17Å; E209-L228 HydrophobicContact CB-CD1 3.76Å; E209-L228 HydrophobicContact CB-CD2 4.36Å
210V91.8Very high91.8Very high31 Ų3191.7 Ų91.719%0.18849%0.485CS..G310 helixtrans-83.6-10.6176.3-61.30000113.5L206 P207 Q208 L228 T231 V232 A235L206-V210 HydrophobicContact CB-CG2 3.96Å; P207-V210 HydrophobicContact CG-CG1 3.86Å; P207-V210 HydrophobicContact CG-CG2 4.28Å; P207-V210 WeakPolarHBondContact O-CG2 3.47Å; P207-V210 PolarHBondContact O-N 3.43Å; P207-V210 VanDerWaalsContact O-N 3.15Å; Q208-V210 PolarHBondContact O-N 3.16Å; V210-L228 HydrophobicContact CG1-CD1 3.9Å; V210-T231 HydrophobicContact CG1-CG2 3.75Å; V210-V232 HydrophobicContact CB-CG2 4.02Å; V210-V232 HydrophobicContact CG1-CG2 3.77Å; V210-A235 HydrophobicContact CG2-CB 4.43Å
211Q90.4Very high92Very high154 Ų15491.1 Ų91.172%0.7249%0.488SS*.THydrogen-bonded Turntrans-121.5-21.5-17758.7176.9-2.800114Q208 E209Q208-Q211 HydrophobicContact CG-CG 4.4Å; Q208-Q211 WeakPolarHBondContact O-CG 3.45Å; Q208-Q211 PolarHBondContact O-N 2.9Å; Q208-Q211 VanDerWaalsContact O-N 3.09Å; E209-Q211 VanDerWaalsContact C-N 3.35Å
212D91.9Very high92Very high48 Ų4891.9 Ų91.926%0.25749%0.49SS..  trans-111.6106.2-177.9-172.4-7.5000111.7Q208 S214 L215Q208-D212 HydrophobicContact CG-CB 4.2Å; Q208-D212 WeakPolarHBondContact O-CB 3.37Å; Q208-D212 PolarHBondContact O-N 2.9Å; D212-S214 PolarHBondContact O-N 3.23Å; D212-S214 WeakPolarHBondContact OD1-CB 3.21Å; D212-S214 PolarHBondContact OD1-N 3.38Å; D212-S214 PolarHBondContact OD1-OG 3.45Å; D212-L215 HydrophobicContact CB-CD1 3.97Å; D212-L215 HydrophobicContact CB-CG 4.07Å; D212-L215 PolarHBondContact O-N 3.17Å; D212-L215 VanDerWaalsContact O-N 3.16Å
213V93.2Very high92.1Very high114 Ų11491.5 Ų91.569%0.69149%0.49SS*.G310 helixtrans-59.4-28.4178.3165.90000112.5L215 L216V213-L215 PolarHBondContact O-N 2.91Å; V213-L216 HydrophobicContact CG1-CD1 4.25Å; V213-L216 VanDerWaalsContact O-CB 3.31Å; V213-L216 WeakPolarHBondContact O-CB 3.29Å; V213-L216 VanDerWaalsContact O-CG 3.3Å; V213-L216 WeakPolarHBondContact O-CG 3.21Å; V213-L216 PolarHBondContact O-N 3.02Å; V213-L216 VanDerWaalsContact O-N 3.1Å
214S92.3Very high92.1Very high82 Ų8291 Ų9157%0.57349%0.491SS*.G310 helixtrans-65.6-22.1-178.9-340000112.3D212 L216D212-S214 PolarHBondContact O-N 3.23Å; D212-S214 WeakPolarHBondContact OD1-CB 3.21Å; D212-S214 PolarHBondContact OD1-N 3.38Å; D212-S214 PolarHBondContact OD1-OG 3.45Å; S214-L216 VanDerWaalsContact C-N 3.3Å
215L90.9Very high92Very high23 Ų2388.6 Ų88.612%0.1247%0.472CS..G310 helixtrans-80.5-11.6178.9-61178.6000112.9Q208 E209 D212 V213 E217 K218Q208-L215 HydrophobicContact CB-CD1 3.94Å; Q208-L215 HydrophobicContact CG-CD1 3.76Å; E209-L215 HydrophobicContact CG-CB 4.34Å; E209-L215 HydrophobicContact CG-CD1 4.17Å; D212-L215 HydrophobicContact CB-CD1 3.97Å; D212-L215 HydrophobicContact CB-CG 4.07Å; D212-L215 PolarHBondContact O-N 3.17Å; D212-L215 VanDerWaalsContact O-N 3.16Å; V213-L215 PolarHBondContact O-N 2.91Å; L215-E217 PolarHBondContact O-N 2.96Å; L215-K218 HydrophobicContact CD2-CD 4.1Å; L215-K218 VanDerWaalsContact CD2-NZ 3.3Å; L215-K218 WeakPolarHBondContact O-CB 3.33Å; L215-K218 PolarHBondContact O-N 2.93Å; L215-K218 VanDerWaalsContact O-N 3.12Å
216L90.4Very high92Very high85 Ų8588.1 Ų88.145%0.44546%0.462SS..G310 helixtrans-64.6-28.4179.1-62.5-178.5000112.5V213 S214 K218 I219 L228V213-L216 HydrophobicContact CG1-CD1 4.25Å; V213-L216 VanDerWaalsContact O-CB 3.31Å; V213-L216 WeakPolarHBondContact O-CB 3.29Å; V213-L216 VanDerWaalsContact O-CG 3.3Å; V213-L216 WeakPolarHBondContact O-CG 3.21Å; V213-L216 PolarHBondContact O-N 3.02Å; V213-L216 VanDerWaalsContact O-N 3.1Å; S214-L216 VanDerWaalsContact C-N 3.3Å; L216-K218 PolarHBondContact O-N 3.06Å; L216-K218 VanDerWaalsContact O-N 3.14Å; L216-I219 WeakPolarHBondContact O-CB 3.37Å; L216-I219 PolarHBondContact O-N 2.91Å; L216-I219 VanDerWaalsContact O-N 3.07Å; L216-L228 HydrophobicContact CD2-CD2 3.61Å
217E90.3Very high92Very high177 Ų17791.8 Ų91.883%0.82748%0.476SS*.G310 helixtrans-61.3-20.8175.6-62.6-174.9173.800113.1L215 I219L215-E217 PolarHBondContact O-N 2.96Å; E217-I219 VanDerWaalsContact C-N 3.34Å
218K89.8Confident92Very high155 Ų15590.5 Ų90.567%0.67447%0.467SS*.G310 helixtrans-82.7-12.2178.9-60.3176.4177171.90113L215 L216 T220L215-K218 HydrophobicContact CD2-CD 4.1Å; L215-K218 VanDerWaalsContact CD2-NZ 3.3Å; L215-K218 WeakPolarHBondContact O-CB 3.33Å; L215-K218 PolarHBondContact O-N 2.93Å; L215-K218 VanDerWaalsContact O-N 3.12Å; L216-K218 PolarHBondContact O-N 3.06Å; L216-K218 VanDerWaalsContact O-N 3.14Å; K218-T220 PolarHBondContact O-N 3.14Å
219I90.6Very high92.2Very high54 Ų5488.2 Ų88.228%0.27746%0.463SS..  trans-84.3105.2177.6-55.8-77.7000108L216 E217 A224 A225 L228L216-I219 WeakPolarHBondContact O-CB 3.37Å; L216-I219 PolarHBondContact O-N 2.91Å; L216-I219 VanDerWaalsContact O-N 3.07Å; E217-I219 VanDerWaalsContact C-N 3.34Å; I219-A224 HydrophobicContact CD1-CB 4.39Å; I219-A224 HydrophobicContact CG2-CB 4.13Å; I219-A225 HydrophobicContact CG2-CB 3.74Å; I219-L228 HydrophobicContact CD1-CD2 3.94Å; I219-L228 HydrophobicContact CG1-CD2 4.07Å
220T91.7Very high92.4Very high131 Ų13190.8 Ų90.880%0.80447%0.472SS*.  trans-105.6-11.7-174.354.80000113.7K218K218-T220 PolarHBondContact O-N 3.14Å
221D95.4Very high92.4Very high79 Ų7991.6 Ų91.642%0.42248%0.478SS..SBendtrans-122.6149.3-179.672.694.3000112.7E223 A224 A225D221-E223 VanDerWaalsContact C-N 3.29Å; D221-E223 PolarHBondContact O-N 3.36Å; D221-E223 WeakPolarHBondContact OD1-CB 3.31Å; D221-E223 PolarHBondContact OD1-N 3.39Å; D221-A224 PolarHBondContact O-N 3.12Å; D221-A224 WeakPolarHBondContact OD1-CB 3.31Å; D221-A224 PolarHBondContact OD1-N 3.21Å; D221-A224 WeakPolarHBondContact OD2-CB 3.43Å; D221-A225 PolarHBondContact O-N 3.02Å
222K94.1Very high92.6Very high161 Ų16186.5 Ų86.570%0.746%0.457SS*.Hα-helixtrans-63.6-34.7-177.9-176.2-178.5171.164.70112.2A225 D226K222-A225 PolarHBondContact O-N 3.04Å; K222-D226 VanDerWaalsContact O-CG 3.28Å; K222-D226 PolarHBondContact O-N 2.97Å
223E95.3Very high92.7Very high124 Ų12488.7 Ų88.758%0.57947%0.468SS*.Hα-helixtrans-70.3-39.6-176.5-163.4-171.1143.300111.4D221 D226 K227D221-E223 VanDerWaalsContact C-N 3.29Å; D221-E223 PolarHBondContact O-N 3.36Å; D221-E223 WeakPolarHBondContact OD1-CB 3.31Å; D221-E223 PolarHBondContact OD1-N 3.39Å; E223-D226 PolarHBondContact O-N 3.04Å; E223-K227 WeakPolarHBondContact O-CG 3.26Å; E223-K227 PolarHBondContact O-N 3.47Å; E223-K227 WeakPolarHBondContact OE1-CE 3.49Å; E223-K227 IonicContact OE1-NZ 2.59Å; E223-K227 PolarHBondContact OE1-NZ 3.17Å
224A91.7Very high92.6Very high27 Ų2789.7 Ų89.722%0.22347%0.465CS..Hα-helixtrans-65.7-40.9172.800000111.9I219 D221 K227 L228I219-A224 HydrophobicContact CD1-CB 4.39Å; I219-A224 HydrophobicContact CG2-CB 4.13Å; D221-A224 PolarHBondContact O-N 3.12Å; D221-A224 WeakPolarHBondContact OD1-CB 3.31Å; D221-A224 PolarHBondContact OD1-N 3.21Å; D221-A224 WeakPolarHBondContact OD2-CB 3.43Å; A224-K227 PolarHBondContact O-N 3.22Å; A224-L228 WeakPolarHBondContact O-CB 3.34Å; A224-L228 PolarHBondContact O-N 3.07Å
225A92.1Very high92.7Very high39 Ų3986 Ų8632%0.32244%0.441SS..Hα-helixtrans-60.2-45.4172.900000112.2I219 D221 K222 K227 L228 S229I219-A225 HydrophobicContact CG2-CB 3.74Å; D221-A225 PolarHBondContact O-N 3.02Å; K222-A225 PolarHBondContact O-N 3.04Å; A225-K227 VanDerWaalsContact C-N 3.33Å; A225-K227 PolarHBondContact O-N 3.35Å; A225-L228 PolarHBondContact O-N 3.16Å; A225-S229 WeakPolarHBondContact O-CB 3.42Å; A225-S229 PolarHBondContact O-N 3.26Å
226D93.9Very high92.8Very high79 Ų7988.5 Ų88.542%0.42246%0.459SS..Hα-helixtrans-65.7-35.4178.9-70.7-18.7000111.6K222 E223 K230K222-D226 VanDerWaalsContact O-CG 3.28Å; K222-D226 PolarHBondContact O-N 2.97Å; E223-D226 PolarHBondContact O-N 3.04Å; D226-K230 WeakPolarHBondContact O-CG 3.42Å; D226-K230 PolarHBondContact O-N 3.4Å
227K93Very high92.9Very high120 Ų12089.9 Ų89.952%0.52247%0.466SS..Hα-helixtrans-67.7-43.9173.2-75.7172.6-172.2160.20112.2E223 A224 A225 S229 K230 T231E223-K227 WeakPolarHBondContact O-CG 3.26Å; E223-K227 PolarHBondContact O-N 3.47Å; E223-K227 WeakPolarHBondContact OE1-CE 3.49Å; E223-K227 IonicContact OE1-NZ 2.59Å; E223-K227 PolarHBondContact OE1-NZ 3.17Å; A224-K227 PolarHBondContact O-N 3.22Å; A225-K227 VanDerWaalsContact C-N 3.33Å; A225-K227 PolarHBondContact O-N 3.35Å; K227-S229 VanDerWaalsContact C-N 3.35Å; K227-K230 PolarHBondContact O-N 2.87Å; K227-T231 PolarHBondContact O-N 3.5Å; K227-T231 VanDerWaalsContact O-N 3.11Å; K227-T231 PolarHBondContact O-OG1 3.34Å
228L93.1Very high93Very high22 Ų2283.1 Ų83.112%0.11544%0.435CS..Hα-helixtrans-63.4-43176.3-178.660.3000110.7E209 V210 L216 I219 A224 A225 K230 T231 V232E209-L228 HydrophobicContact CB-CD1 3.76Å; E209-L228 HydrophobicContact CB-CD2 4.36Å; V210-L228 HydrophobicContact CG1-CD1 3.9Å; L216-L228 HydrophobicContact CD2-CD2 3.61Å; I219-L228 HydrophobicContact CD1-CD2 3.94Å; I219-L228 HydrophobicContact CG1-CD2 4.07Å; A224-L228 WeakPolarHBondContact O-CB 3.34Å; A224-L228 PolarHBondContact O-N 3.07Å; A225-L228 PolarHBondContact O-N 3.16Å; L228-K230 VanDerWaalsContact C-N 3.35Å; L228-K230 PolarHBondContact O-N 3.45Å; L228-T231 CarbonylContact O-C 3.59Å; L228-T231 WeakPolarHBondContact O-CB 3.47Å; L228-T231 PolarHBondContact O-N 2.98Å; L228-V232 HydrophobicContact CD1-CG2 4.23Å; L228-V232 HydrophobicContact CG-CG2 4.27Å; L228-V232 WeakPolarHBondContact O-CG2 3.33Å; L228-V232 PolarHBondContact O-N 2.95Å
229S93.4Very high93.2Very high61 Ų6178.9 Ų78.943%0.42742%0.42SS..Hα-helixtrans-54.9-48.6176.7-171.40000111.8A225 K227 T231 V232 D233A225-S229 WeakPolarHBondContact O-CB 3.42Å; A225-S229 PolarHBondContact O-N 3.26Å; K227-S229 VanDerWaalsContact C-N 3.35Å; S229-T231 VanDerWaalsContact C-N 3.31Å; S229-T231 PolarHBondContact O-N 3.29Å; S229-V232 PolarHBondContact O-N 3.41Å; S229-D233 VanDerWaalsContact O-CG 3.28Å; S229-D233 PolarHBondContact O-N 3.34Å
230K94.3Very high93.3Very high140 Ų14079.3 Ų79.361%0.60943%0.431SS*.Hα-helixtrans-60.5-41.3176.3-70.4176.7-177.5179.20112.3D226 K227 L228 D233 E234D226-K230 WeakPolarHBondContact O-CG 3.42Å; D226-K230 PolarHBondContact O-N 3.4Å; K227-K230 PolarHBondContact O-N 2.87Å; L228-K230 VanDerWaalsContact C-N 3.35Å; L228-K230 PolarHBondContact O-N 3.45Å; K230-D233 PolarHBondContact O-N 3.46Å; K230-E234 WeakPolarHBondContact O-CG 3.44Å; K230-E234 PolarHBondContact O-N 3.34Å
231T93.2Very high93.1Very high49 Ų4978.9 Ų78.930%0.30142%0.42SS..Hα-helixtrans-65.7-39.5178.9-49.20000111.2P207 V210 K227 L228 S229 A235P207-T231 HydrophobicContact CG-CG2 3.94Å; V210-T231 HydrophobicContact CG1-CG2 3.75Å; K227-T231 PolarHBondContact O-N 3.5Å; K227-T231 VanDerWaalsContact O-N 3.11Å; K227-T231 PolarHBondContact O-OG1 3.34Å; L228-T231 CarbonylContact O-C 3.59Å; L228-T231 WeakPolarHBondContact O-CB 3.47Å; L228-T231 PolarHBondContact O-N 2.98Å; S229-T231 VanDerWaalsContact C-N 3.31Å; S229-T231 PolarHBondContact O-N 3.29Å; T231-A235 VanDerWaalsContact O-CB 3.25Å; T231-A235 WeakPolarHBondContact O-CB 3.27Å; T231-A235 PolarHBondContact O-N 3.44Å
232V94.5Very high93Very high46 Ų4676.5 Ų76.528%0.27941%0.406SS..Hα-helixtrans-63.5-45.6174.1171.20000110.6V210 L228 S229 E234 A235 C236V210-V232 HydrophobicContact CB-CG2 4.02Å; V210-V232 HydrophobicContact CG1-CG2 3.77Å; L228-V232 HydrophobicContact CD1-CG2 4.23Å; L228-V232 HydrophobicContact CG-CG2 4.27Å; L228-V232 WeakPolarHBondContact O-CG2 3.33Å; L228-V232 PolarHBondContact O-N 2.95Å; S229-V232 PolarHBondContact O-N 3.41Å; V232-E234 PolarHBondContact O-N 2.98Å; V232-A235 PolarHBondContact O-N 2.93Å; V232-C236 WeakPolarHBondContact O-CB 3.5Å; V232-C236 PolarHBondContact O-N 3.37Å; V232-C236 PolarHBondContact O-SG 2.59Å
233D93.3Very high92.9Very high94 Ų9473.2 Ų73.250%0.50340%0.396SS..Hα-helixtrans-61.5-45.1179.2-67.9-28.9000111.7S229 K230 C236 L237S229-D233 VanDerWaalsContact O-CG 3.28Å; S229-D233 PolarHBondContact O-N 3.34Å; K230-D233 PolarHBondContact O-N 3.46Å; D233-C236 PolarHBondContact O-N 3Å; D233-L237 WeakPolarHBondContact O-CG 3.47Å; D233-L237 PolarHBondContact O-N 3.3Å; D233-L237 VanDerWaalsContact O-N 3.1Å
234E92.2Very high92.7Very high135 Ų13569.5 Ų69.563%0.63139%0.39SS*.Hα-helixtrans-63-42.4175.3-71.8174.3-164.300112.1K230 V232 L237 L238K230-E234 WeakPolarHBondContact O-CG 3.44Å; K230-E234 PolarHBondContact O-N 3.34Å; V232-E234 PolarHBondContact O-N 2.98Å; E234-L237 PolarHBondContact O-N 2.98Å; E234-L238 WeakPolarHBondContact O-CB 3.43Å; E234-L238 PolarHBondContact O-N 3.04Å
235A94.3Very high92.6Very high6 Ų672.7 Ų72.75%0.0540%0.396CS..Hα-helixtrans-63.5-41.9176.700000112.1L206 V210 T231 V232 L238 L239L206-A235 HydrophobicContact CD1-CB 3.95Å; L206-A235 HydrophobicContact CD2-CB 3.74Å; L206-A235 HydrophobicContact CG-CB 4.48Å; V210-A235 HydrophobicContact CG2-CB 4.43Å; T231-A235 VanDerWaalsContact O-CB 3.25Å; T231-A235 WeakPolarHBondContact O-CB 3.27Å; T231-A235 PolarHBondContact O-N 3.44Å; V232-A235 PolarHBondContact O-N 2.93Å; A235-L238 PolarHBondContact O-N 3.12Å; A235-L239 WeakPolarHBondContact O-CB 3.23Å; A235-L239 VanDerWaalsContact O-CG 3.3Å; A235-L239 WeakPolarHBondContact O-CG 3.25Å; A235-L239 PolarHBondContact O-N 3.07Å
236C93.1Very high92.5Very high74 Ų7473.3 Ų73.350%0.539%0.394SS..Hα-helixtrans-60.4-46.9176.4-78.90000111.8V232 D233 L239 A240V232-C236 WeakPolarHBondContact O-CB 3.5Å; V232-C236 PolarHBondContact O-N 3.37Å; V232-C236 PolarHBondContact O-SG 2.59Å; D233-C236 PolarHBondContact O-N 3Å; C236-L239 PolarHBondContact O-N 3.42Å; C236-A240 VanDerWaalsContact O-CB 3.3Å; C236-A240 WeakPolarHBondContact O-CB 3.31Å; C236-A240 PolarHBondContact O-N 3.13Å
237L92.2Very high92.4Very high115 Ų11572.2 Ų72.260%0.60240%0.396SS*.Hα-helixtrans-62.1-47.4176.8-70.7174.2000111.4D233 E234 L239 A240 E241D233-L237 WeakPolarHBondContact O-CG 3.47Å; D233-L237 PolarHBondContact O-N 3.3Å; D233-L237 VanDerWaalsContact O-N 3.1Å; E234-L237 PolarHBondContact O-N 2.98Å; L237-L239 PolarHBondContact O-N 3.37Å; L237-A240 PolarHBondContact O-N 3.38Å; L237-E241 WeakPolarHBondContact O-CG 3.38Å; L237-E241 PolarHBondContact O-N 3.28Å
238L92.9Very high92.2Very high35 Ų3569 Ų6918%0.18339%0.392CS..Hα-helixtrans-58.3-46.2178.8-178.865.7000112.2V199 K202 I203 E234 A235 Y242V199-L238 HydrophobicContact CG1-CD1 4.04Å; K202-L238 HydrophobicContact CB-CD2 4.09Å; I203-L238 HydrophobicContact CD1-CG 4.48Å; I203-L238 HydrophobicContact CG1-CD2 3.72Å; I203-L238 HydrophobicContact CG1-CG 3.91Å; E234-L238 WeakPolarHBondContact O-CB 3.43Å; E234-L238 PolarHBondContact O-N 3.04Å; A235-L238 PolarHBondContact O-N 3.12Å; L238-Y242 VanDerWaalsContact O-CB 3.31Å; L238-Y242 WeakPolarHBondContact O-CB 3.06Å; L238-Y242 PolarHBondContact O-N 3.34Å
239L93Very high92Very high65 Ų6568.4 Ų68.434%0.3439%0.389SS..Hα-helixtrans-67.3-41179.2-74.5170.7000111.7I203 L206 A235 C236 L237 Y242 N243I203-L239 HydrophobicContact CD1-CD2 4.29Å; I203-L239 HydrophobicContact CG1-CD2 4.26Å; I203-L239 HydrophobicContact CG2-CD2 3.72Å; L206-L239 HydrophobicContact CD1-CD1 4.47Å; A235-L239 WeakPolarHBondContact O-CB 3.23Å; A235-L239 VanDerWaalsContact O-CG 3.3Å; A235-L239 WeakPolarHBondContact O-CG 3.25Å; A235-L239 PolarHBondContact O-N 3.07Å; C236-L239 PolarHBondContact O-N 3.42Å; L237-L239 PolarHBondContact O-N 3.37Å; L239-Y242 PolarHBondContact O-N 2.88Å; L239-N243 VanDerWaalsContact O-CB 3.25Å; L239-N243 WeakPolarHBondContact O-CB 3.48Å; L239-N243 PolarHBondContact O-N 2.84Å; L239-N243 PolarHBondContact O-ND2 3.24Å
240A91.8Very high91.9Very high63 Ų6369.3 Ų69.352%0.52139%0.389SS..Hα-helixtrans-62.6-47.2177.300000111.5C236 L237 N243 G244C236-A240 VanDerWaalsContact O-CB 3.3Å; C236-A240 WeakPolarHBondContact O-CB 3.31Å; C236-A240 PolarHBondContact O-N 3.13Å; L237-A240 PolarHBondContact O-N 3.38Å; A240-N243 PolarHBondContact O-N 2.89Å; A240-G244 PolarHBondContact O-N 2.88Å
241E89.4Confident91.8Very high122 Ų12266.6 Ų66.657%0.5738%0.378SS*.Hα-helixtrans-62.7-43.6176.7-73.6-178.8-176.300112.2L237 G244 R245L237-E241 WeakPolarHBondContact O-CG 3.38Å; L237-E241 PolarHBondContact O-N 3.28Å; E241-G244 PolarHBondContact O-N 2.88Å; E241-R245 WeakPolarHBondContact O-CB 3.46Å; E241-R245 WeakPolarHBondContact O-CG 3.47Å; E241-R245 PolarHBondContact O-N 2.89Å
242Y92.7Very high91.6Very high30 Ų3068.7 Ų68.712%0.11839%0.387CS..Hα-helixtrans-66.1-44.5178.7-177.9-100.6000112V199 R200 I203 L238 L239 G244 R245 L246V199-Y242 HydrophobicContact CG1-CD2 3.59Å; V199-Y242 HydrophobicContact CG1-CE2 4.31Å; V199-Y242 HydrophobicContact CG1-CG 4.24Å; R200-Y242 HydrophobicContact CG-CE2 4.03Å; R200-Y242 WeakPolarHBondContact CG-OH 3.47Å; I203-Y242 HydrophobicContact CD1-CD1 3.69Å; I203-Y242 HydrophobicContact CD1-CD2 4.02Å; I203-Y242 HydrophobicContact CD1-CE1 4.3Å; I203-Y242 HydrophobicContact CD1-CG 3.51Å; L238-Y242 VanDerWaalsContact O-CB 3.31Å; L238-Y242 WeakPolarHBondContact O-CB 3.06Å; L238-Y242 PolarHBondContact O-N 3.34Å; L239-Y242 PolarHBondContact O-N 2.88Å; Y242-G244 VanDerWaalsContact C-N 3.33Å; Y242-G244 PolarHBondContact O-N 3.34Å; Y242-R245 PolarHBondContact O-N 3.23Å; Y242-L246 HydrophobicContact CE1-CD2 4.26Å; Y242-L246 WeakPolarHBondContact O-CB 3.05Å; Y242-L246 PolarHBondContact O-N 3.39Å
243N91.3Very high91.5Very high92 Ų9271.9 Ų71.949%0.49239%0.394SS..Hα-helixtrans-63.8-38.9177.6-72.4-17.7000111.9L239 A240 L246 A247L239-N243 VanDerWaalsContact O-CB 3.25Å; L239-N243 WeakPolarHBondContact O-CB 3.48Å; L239-N243 PolarHBondContact O-N 2.84Å; L239-N243 PolarHBondContact O-ND2 3.24Å; A240-N243 PolarHBondContact O-N 2.89Å; N243-L246 PolarHBondContact O-N 3.24Å; N243-A247 WeakPolarHBondContact O-CB 3.47Å; N243-A247 PolarHBondContact O-N 3.43Å
244G90.7Very high91.5Very high45 Ų4573.6 Ų73.646%0.46439%0.394SS..Hα-helixtrans-61.9-47.8173.800000112.2A240 E241 Y242 L246 A247 A248A240-G244 PolarHBondContact O-N 2.88Å; E241-G244 PolarHBondContact O-N 2.88Å; Y242-G244 VanDerWaalsContact C-N 3.33Å; Y242-G244 PolarHBondContact O-N 3.34Å; G244-L246 PolarHBondContact O-N 2.96Å; G244-A247 PolarHBondContact O-N 2.83Å; G244-A248 PolarHBondContact O-N 3.42Å; G244-A248 VanDerWaalsContact O-N 3.09Å
245R90.3Very high91.5Very high94 Ų9472 Ų7236%0.35539%0.386SS..Hα-helixtrans-62-41.1175.8-75.3-170.5-76.8161.9-8.3112.5A193 D196 E241 Y242 A248 E249A193-R245 HydrophobicContact CB-CB 3.74Å; D196-R245 IonicContact OD2-CZ 2.75Å; D196-R245 IonicContact OD2-NH1 3.99Å; D196-R245 PolarHBondContact OD2-NH1 3.02Å; E241-R245 WeakPolarHBondContact O-CB 3.46Å; E241-R245 WeakPolarHBondContact O-CG 3.47Å; E241-R245 PolarHBondContact O-N 2.89Å; Y242-R245 PolarHBondContact O-N 3.23Å; R245-A248 PolarHBondContact O-N 3.16Å; R245-E249 PolarHBondContact O-N 3.14Å
246L90.1Very high91.5Very high52 Ų5272.4 Ų72.427%0.27239%0.388SS..Hα-helixtrans-66-39.5177.4-17564.6000111.7Y242 N243 G244 E249 L250Y242-L246 HydrophobicContact CE1-CD2 4.26Å; Y242-L246 WeakPolarHBondContact O-CB 3.05Å; Y242-L246 PolarHBondContact O-N 3.39Å; N243-L246 PolarHBondContact O-N 3.24Å; G244-L246 PolarHBondContact O-N 2.96Å; L246-E249 PolarHBondContact O-N 2.88Å; L246-L250 WeakPolarHBondContact O-CG 3.41Å; L246-L250 PolarHBondContact O-N 3.32Å
247A90.8Very high91.5Very high57 Ų5771.4 Ų71.447%0.47139%0.385SS..Hα-helixtrans-63.7-41.5176.100000112.1N243 G244 L250 E251N243-A247 WeakPolarHBondContact O-CB 3.47Å; N243-A247 PolarHBondContact O-N 3.43Å; G244-A247 PolarHBondContact O-N 2.83Å; A247-L250 PolarHBondContact O-N 2.84Å; A247-E251 PolarHBondContact O-N 3.39Å
248A88.9Confident91.6Very high53 Ų5372.7 Ų72.744%0.43838%0.381SS..Hα-helixtrans-60.9-48.1173.600000111.3G244 R245 L250 E251 D252G244-A248 PolarHBondContact O-N 3.42Å; G244-A248 VanDerWaalsContact O-N 3.09Å; R245-A248 PolarHBondContact O-N 3.16Å; A248-L250 VanDerWaalsContact C-N 3.29Å; A248-L250 PolarHBondContact O-N 3.44Å; A248-E251 PolarHBondContact O-N 3.46Å; A248-D252 PolarHBondContact O-N 3.29Å
249E90.6Very high91.6Very high8 Ų872.7 Ų72.74%0.03738%0.381CS..Hα-helixtrans-58.4-39.8176.7178.2-175.6160.400112.5L189 A192 A193 S194 R245 L246 E251 D252 R253L189-E249 HydrophobicContact CD1-CG 4.12Å; A192-E249 VanDerWaalsContact CB-CD 3.43Å; A192-E249 HydrophobicContact CB-CG 3.8Å; A193-E249 PolarHBondContact N-OE2 3.42Å; A193-E249 VanDerWaalsContact N-OE2 3.15Å; S194-E249 WeakPolarHBondContact CB-OE1 3.43Å; S194-E249 VanDerWaalsContact CB-OE2 3.27Å; S194-E249 WeakPolarHBondContact CB-OE2 3.47Å; S194-E249 PolarHBondContact N-OE2 3.46Å; R245-E249 PolarHBondContact O-N 3.14Å; L246-E249 PolarHBondContact O-N 2.88Å; E249-E251 VanDerWaalsContact C-N 3.27Å; E249-E251 PolarHBondContact O-N 3.31Å; E249-D252 PolarHBondContact O-N 3.04Å; E249-R253 HydrophobicContact CG-CG 4.41Å; E249-R253 WeakPolarHBondContact O-CB 3.29Å; E249-R253 VanDerWaalsContact O-CG 3.3Å; E249-R253 WeakPolarHBondContact O-CG 3.37Å; E249-R253 PolarHBondContact O-N 3.18Å; E249-R253 IonicContact OE1-CZ 3.16Å; E249-R253 IonicContact OE1-NE 2.97Å; E249-R253 PolarHBondContact OE1-NE 3.37Å; E249-R253 IonicContact OE1-NH2 2.99Å; E249-R253 PolarHBondContact OE1-NH2 3.25Å
250L90.1Very high91.6Very high81 Ų8172.7 Ų72.742%0.42438%0.381SS..Hα-helixtrans-62.4-36.4177.3-73.7175.2000111.9L246 A247 A248 R254L246-L250 WeakPolarHBondContact O-CG 3.41Å; L246-L250 PolarHBondContact O-N 3.32Å; A247-L250 PolarHBondContact O-N 2.84Å; A248-L250 VanDerWaalsContact C-N 3.29Å; A248-L250 PolarHBondContact O-N 3.44Å; L250-R254 WeakPolarHBondContact O-CG 3.44Å; L250-R254 PolarHBondContact O-N 3.28Å; L250-R254 VanDerWaalsContact O-N 3.15Å
251E92.1Very high91.7Very high82 Ų8274.5 Ų74.538%0.38339%0.385SS..Hα-helixtrans-72.1-42175.8-167.253.1-144.200111.9A247 A248 E249 R253 R254 Q255 R258A247-E251 PolarHBondContact O-N 3.39Å; A248-E251 PolarHBondContact O-N 3.46Å; E249-E251 VanDerWaalsContact C-N 3.27Å; E249-E251 PolarHBondContact O-N 3.31Å; E251-R253 VanDerWaalsContact C-N 3.27Å; E251-R253 PolarHBondContact O-N 2.86Å; E251-R254 WeakPolarHBondContact O-CB 3.25Å; E251-R254 PolarHBondContact O-N 3.2Å; E251-R254 IonicContact OE2-CZ 3.24Å; E251-R254 IonicContact OE2-NH1 2.88Å; E251-R254 PolarHBondContact OE2-NH1 3.28Å; E251-Q255 PolarHBondContact O-N 3.35Å; E251-R258 IonicContact OE1-NH2 3.19Å; E251-R258 PolarHBondContact OE1-NH2 3.43Å
252D89.6Confident91.8Very high93 Ų9374.8 Ų74.850%0.49739%0.387SS..Hα-helixtrans-57.9-41.9174.2-64.3-23.9000111.1A248 E249 R254 Q255 L256A248-D252 PolarHBondContact O-N 3.29Å; E249-D252 PolarHBondContact O-N 3.04Å; D252-R254 PolarHBondContact O-N 3.31Å; D252-Q255 PolarHBondContact O-N 2.88Å; D252-L256 WeakPolarHBondContact O-CB 3.3Å; D252-L256 PolarHBondContact O-N 3.17Å
253R92.4Very high91.8Very high114 Ų11475.7 Ų75.743%0.4339%0.39SS..Hα-helixtrans-63.3-37.7174.6-74.7176.1180-110.73.7112.6L189 E249 E251 A257L189-R253 HydrophobicContact CD1-CG 3.67Å; L189-R253 HydrophobicContact CD2-CG 4.08Å; E249-R253 HydrophobicContact CG-CG 4.41Å; E249-R253 WeakPolarHBondContact O-CB 3.29Å; E249-R253 VanDerWaalsContact O-CG 3.3Å; E249-R253 WeakPolarHBondContact O-CG 3.37Å; E249-R253 PolarHBondContact O-N 3.18Å; E249-R253 IonicContact OE1-CZ 3.16Å; E249-R253 IonicContact OE1-NE 2.97Å; E249-R253 PolarHBondContact OE1-NE 3.37Å; E249-R253 IonicContact OE1-NH2 2.99Å; E249-R253 PolarHBondContact OE1-NH2 3.25Å; E251-R253 VanDerWaalsContact C-N 3.27Å; E251-R253 PolarHBondContact O-N 2.86Å; R253-A257 WeakPolarHBondContact O-CB 2.77Å; R253-A257 PolarHBondContact O-N 3.21Å
254R93.4Very high91.9Very high130 Ų13075.6 Ų75.649%0.49139%0.389SS..Hα-helixtrans-66.6-43.1174.8-73-177.7-165.1105.76.4111.1L250 E251 D252 A257 R258L250-R254 WeakPolarHBondContact O-CG 3.44Å; L250-R254 PolarHBondContact O-N 3.28Å; L250-R254 VanDerWaalsContact O-N 3.15Å; E251-R254 WeakPolarHBondContact O-CB 3.25Å; E251-R254 PolarHBondContact O-N 3.2Å; E251-R254 IonicContact OE2-CZ 3.24Å; E251-R254 IonicContact OE2-NH1 2.88Å; E251-R254 PolarHBondContact OE2-NH1 3.28Å; D252-R254 PolarHBondContact O-N 3.31Å; R254-A257 PolarHBondContact O-N 3.44Å; R254-R258 PolarHBondContact O-N 2.86Å; R254-R258 VanDerWaalsContact O-N 3.16Å
255Q92.6Very high91.9Very high102 Ų10276.3 Ų76.348%0.47739%0.387SS..Hα-helixtrans-62-46.9175.4180171.8-11.900111.4E251 D252 A257 R258 M259E251-Q255 PolarHBondContact O-N 3.35Å; D252-Q255 PolarHBondContact O-N 2.88Å; Q255-A257 VanDerWaalsContact C-N 3.29Å; Q255-A257 PolarHBondContact O-N 3.26Å; Q255-R258 WeakPolarHBondContact O-CB 3.41Å; Q255-R258 PolarHBondContact O-N 3.41Å; Q255-R258 VanDerWaalsContact O-N 3.08Å; Q255-M259 HydrophobicContact CG-SD 4.25Å; Q255-M259 WeakPolarHBondContact O-CG 3.27Å; Q255-M259 PolarHBondContact O-N 3.5Å
256L93.5Very high91.9Very high14 Ų1473.8 Ų73.87%0.07338%0.384CS..Hα-helixtrans-59.6-39.6176.8-179.865.1000112L182 A185 L186 L189 D252 R258 M259 L260L182-L256 HydrophobicContact CD1-CD1 3.6Å; A185-L256 HydrophobicContact CB-CD1 3.93Å; L186-L256 HydrophobicContact CD2-CD1 4.09Å; L186-L256 HydrophobicContact CD2-CD2 3.88Å; L186-L256 HydrophobicContact CG-CD1 4.11Å; L189-L256 HydrophobicContact CD2-CD2 3.55Å; D252-L256 WeakPolarHBondContact O-CB 3.3Å; D252-L256 PolarHBondContact O-N 3.17Å; L256-R258 VanDerWaalsContact C-N 3.3Å; L256-R258 PolarHBondContact O-N 3.12Å; L256-M259 PolarHBondContact O-N 3.5Å; L256-L260 HydrophobicContact CD1-CD1 4.48Å; L256-L260 HydrophobicContact CD1-CG 4.34Å; L256-L260 HydrophobicContact CG-CD1 4.07Å; L256-L260 HydrophobicContact CG-CG 4.39Å; L256-L260 WeakPolarHBondContact O-CB 3.48Å; L256-L260 VanDerWaalsContact O-CG 3.31Å; L256-L260 WeakPolarHBondContact O-CG 3.26Å; L256-L260 PolarHBondContact O-N 3.43Å
257A93.6Very high91.9Very high53 Ų5374.9 Ų74.944%0.43839%0.388SS..Hα-helixtrans-61.4-38.9175.800000112.2R253 R254 Q255 T261R253-A257 WeakPolarHBondContact O-CB 2.77Å; R253-A257 PolarHBondContact O-N 3.21Å; R254-A257 PolarHBondContact O-N 3.44Å; Q255-A257 VanDerWaalsContact C-N 3.29Å; Q255-A257 PolarHBondContact O-N 3.26Å; A257-T261 PolarHBondContact O-N 3.22Å; A257-T261 VanDerWaalsContact O-N 3.14Å; A257-T261 PolarHBondContact O-OG1 2.68Å
258R93.9Very high91.9Very high142 Ų14278.8 Ų78.854%0.53639%0.394SS..Hα-helixtrans-63.7-50.6172.7-67.7-175.9-72.2-108.30.7110.9E251 R254 Q255 L256 L260 T261 E262E251-R258 IonicContact OE1-NH2 3.19Å; E251-R258 PolarHBondContact OE1-NH2 3.43Å; R254-R258 PolarHBondContact O-N 2.86Å; R254-R258 VanDerWaalsContact O-N 3.16Å; Q255-R258 WeakPolarHBondContact O-CB 3.41Å; Q255-R258 PolarHBondContact O-N 3.41Å; Q255-R258 VanDerWaalsContact O-N 3.08Å; L256-R258 VanDerWaalsContact C-N 3.3Å; L256-R258 PolarHBondContact O-N 3.12Å; R258-L260 VanDerWaalsContact C-N 3.32Å; R258-L260 PolarHBondContact O-N 3.06Å; R258-T261 WeakPolarHBondContact O-CB 3.33Å; R258-T261 PolarHBondContact O-N 3.21Å; R258-T261 VanDerWaalsContact O-N 3.08Å; R258-E262 PolarHBondContact O-N 3.23Å
259M92.5Very high92Very high34 Ų3482.6 Ų82.617%0.16740%0.403CS..Hα-helixtrans-57.5-42.7178.5-66.7174.973.300112.4E181 L182 A185 Q255 L256 T261 E262 Y263E181-M259 HydrophobicContact CB-CE 3.97Å; L182-M259 HydrophobicContact CB-CE 4.42Å; L182-M259 HydrophobicContact CD1-CB 4.09Å; A185-M259 HydrophobicContact CB-CE 4.19Å; A185-M259 HydrophobicContact CB-SD 4.08Å; Q255-M259 HydrophobicContact CG-SD 4.25Å; Q255-M259 WeakPolarHBondContact O-CG 3.27Å; Q255-M259 PolarHBondContact O-N 3.5Å; L256-M259 PolarHBondContact O-N 3.5Å; M259-T261 VanDerWaalsContact C-N 3.33Å; M259-T261 PolarHBondContact O-N 2.97Å; M259-E262 PolarHBondContact O-N 2.93Å; M259-Y263 VanDerWaalsContact O-CB 3.24Å; M259-Y263 WeakPolarHBondContact O-CB 3.44Å; M259-Y263 PolarHBondContact O-N 3.14Å
260L93.6Very high91.9Very high66 Ų6683.2 Ų83.235%0.34641%0.409SS..Hα-helixtrans-62.8-40.4176.8-76.3168.7000112.1L182 L256 R258 I264L182-L260 HydrophobicContact CD1-CD2 3.85Å; L182-L260 HydrophobicContact CD1-CG 4.07Å; L182-L260 HydrophobicContact CD2-CD2 4.06Å; L182-L260 HydrophobicContact CG-CD2 4.49Å; L256-L260 HydrophobicContact CD1-CD1 4.48Å; L256-L260 HydrophobicContact CD1-CG 4.34Å; L256-L260 HydrophobicContact CG-CD1 4.07Å; L256-L260 HydrophobicContact CG-CG 4.39Å; L256-L260 WeakPolarHBondContact O-CB 3.48Å; L256-L260 VanDerWaalsContact O-CG 3.31Å; L256-L260 WeakPolarHBondContact O-CG 3.26Å; L256-L260 PolarHBondContact O-N 3.43Å; R258-L260 VanDerWaalsContact C-N 3.32Å; R258-L260 PolarHBondContact O-N 3.06Å; L260-I264 WeakPolarHBondContact O-CB 3.45Å; L260-I264 WeakPolarHBondContact O-CD1 3.15Å; L260-I264 WeakPolarHBondContact O-CG1 3.41Å; L260-I264 PolarHBondContact O-N 3.07Å
261T93.7Very high92Very high100 Ų10084 Ų8461%0.61341%0.413SS*.Hα-helixtrans-63.5-47.3178.4-58.30000110.7A257 R258 M259 I264 S265A257-T261 PolarHBondContact O-N 3.22Å; A257-T261 VanDerWaalsContact O-N 3.14Å; A257-T261 PolarHBondContact O-OG1 2.68Å; R258-T261 WeakPolarHBondContact O-CB 3.33Å; R258-T261 PolarHBondContact O-N 3.21Å; R258-T261 VanDerWaalsContact O-N 3.08Å; M259-T261 VanDerWaalsContact C-N 3.33Å; M259-T261 PolarHBondContact O-N 2.97Å; T261-I264 PolarHBondContact O-N 3.17Å; T261-S265 PolarHBondContact O-N 3.44Å
262E91.8Very high92.1Very high128 Ų12884.6 Ų84.660%0.59842%0.422SS*.Hα-helixtrans-64.6-44.6178.8-167.9167.8-153.500111.7R258 M259 I264 S265 S266R258-E262 PolarHBondContact O-N 3.23Å; M259-E262 PolarHBondContact O-N 2.93Å; E262-I264 PolarHBondContact O-N 3.37Å; E262-S265 WeakPolarHBondContact O-CB 3.49Å; E262-S265 PolarHBondContact O-N 3.33Å; E262-S266 PolarHBondContact O-N 2.98Å
263Y92.6Very high92.2Very high49 Ų4984.7 Ų84.719%0.19242%0.419CS..Hα-helixtrans-60-44.1175.7-169.7-87.4000112.3L178 T179 L182 M259 S265 S266 Q267L178-Y263 HydrophobicContact CD2-CD2 3.39Å; L178-Y263 HydrophobicContact CD2-CE2 4.13Å; L178-Y263 HydrophobicContact CD2-CG 4.12Å; L178-Y263 HydrophobicContact CG-CD2 3.91Å; T179-Y263 HydrophobicContact CG2-CE2 4.44Å; T179-Y263 WeakPolarHBondContact OG1-CE2 3.25Å; T179-Y263 PolarHBondContact OG1-OH 3.08Å; L182-Y263 HydrophobicContact CD2-CD1 3.87Å; L182-Y263 HydrophobicContact CD2-CD2 3.67Å; L182-Y263 HydrophobicContact CD2-CE1 4.35Å; L182-Y263 HydrophobicContact CD2-CE2 4.22Å; L182-Y263 HydrophobicContact CD2-CG 3.52Å; M259-Y263 VanDerWaalsContact O-CB 3.24Å; M259-Y263 WeakPolarHBondContact O-CB 3.44Å; M259-Y263 PolarHBondContact O-N 3.14Å; Y263-S265 VanDerWaalsContact C-N 3.33Å; Y263-S265 PolarHBondContact O-N 3.39Å; Y263-S266 PolarHBondContact O-N 3.24Å; Y263-Q267 HydrophobicContact CD1-CG 3.73Å; Y263-Q267 HydrophobicContact CE1-CG 3.38Å; Y263-Q267 WeakPolarHBondContact O-CB 3.25Å; Y263-Q267 VanDerWaalsContact O-CG 3.26Å; Y263-Q267 WeakPolarHBondContact O-CG 3.45Å; Y263-Q267 PolarHBondContact O-N 3.37Å; Y263-Q267 PolarHBondContact OH-NE2 3.36Å
264I92.1Very high92.2Very high90 Ų9084.9 Ų84.946%0.46242%0.42SS..Hα-helixtrans-63.2-41.1177-71.6165.8000111L260 T261 E262 Q267 K268L260-I264 WeakPolarHBondContact O-CB 3.45Å; L260-I264 WeakPolarHBondContact O-CD1 3.15Å; L260-I264 WeakPolarHBondContact O-CG1 3.41Å; L260-I264 PolarHBondContact O-N 3.07Å; T261-I264 PolarHBondContact O-N 3.17Å; E262-I264 PolarHBondContact O-N 3.37Å; I264-Q267 PolarHBondContact O-N 3.45Å; I264-K268 HydrophobicContact CG2-CD 4.39Å; I264-K268 WeakPolarHBondContact O-CG 3.4Å; I264-K268 PolarHBondContact O-N 3.25Å
265S91.6Very high92.2Very high60 Ų6084.1 Ų84.142%0.4242%0.422SS..Hα-helixtrans-60.9-50.7176.3-162.30000111T261 E262 Y263 Q267 K268 E269T261-S265 PolarHBondContact O-N 3.44Å; E262-S265 WeakPolarHBondContact O-CB 3.49Å; E262-S265 PolarHBondContact O-N 3.33Å; Y263-S265 VanDerWaalsContact C-N 3.33Å; Y263-S265 PolarHBondContact O-N 3.39Å; S265-Q267 PolarHBondContact O-N 2.88Å; S265-K268 WeakPolarHBondContact O-CB 3.48Å; S265-K268 PolarHBondContact O-N 3.35Å; S265-K268 VanDerWaalsContact O-N 3.14Å; S265-E269 PolarHBondContact O-N 2.97Å; S265-E269 VanDerWaalsContact O-N 3.1Å
266S89.8Confident92.3Very high42 Ų4286 Ų8629%0.29443%0.429SS..Hα-helixtrans-59.2-43.4178.5-178.80000112.4E262 Y263 K268 E269 A270E262-S266 PolarHBondContact O-N 2.98Å; Y263-S266 PolarHBondContact O-N 3.24Å; S266-K268 VanDerWaalsContact C-N 3.34Å; S266-K268 PolarHBondContact O-N 2.96Å; S266-E269 PolarHBondContact O-N 3.49Å; S266-A270 WeakPolarHBondContact O-CB 3.4Å; S266-A270 PolarHBondContact O-N 2.77Å
267Q90.4Very high92.4Very high75 Ų7588.8 Ų88.835%0.3544%0.44SS..Hα-helixtrans-65.5-34.2177.3-71.3-62.6-42.100113.1Y263 I264 S265 L271Y263-Q267 HydrophobicContact CD1-CG 3.73Å; Y263-Q267 HydrophobicContact CE1-CG 3.38Å; Y263-Q267 WeakPolarHBondContact O-CB 3.25Å; Y263-Q267 VanDerWaalsContact O-CG 3.26Å; Y263-Q267 WeakPolarHBondContact O-CG 3.45Å; Y263-Q267 PolarHBondContact O-N 3.37Å; Y263-Q267 PolarHBondContact OH-NE2 3.36Å; I264-Q267 PolarHBondContact O-N 3.45Å; S265-Q267 PolarHBondContact O-N 2.88Å; Q267-L271 WeakPolarHBondContact O-CB 3.48Å; Q267-L271 PolarHBondContact O-N 3.43Å
268K91.8Very high92.3Very high139 Ų13991 Ų9160%0.60444%0.444SS*.Hα-helixtrans-65.6-45.5174.5-77176.9177.9-178.70111.4I264 S265 S266 A270 L271 V272I264-K268 HydrophobicContact CG2-CD 4.39Å; I264-K268 WeakPolarHBondContact O-CG 3.4Å; I264-K268 PolarHBondContact O-N 3.25Å; S265-K268 WeakPolarHBondContact O-CB 3.48Å; S265-K268 PolarHBondContact O-N 3.35Å; S265-K268 VanDerWaalsContact O-N 3.14Å; S266-K268 VanDerWaalsContact C-N 3.34Å; S266-K268 PolarHBondContact O-N 2.96Å; K268-A270 VanDerWaalsContact C-N 3.34Å; K268-L271 WeakPolarHBondContact O-CB 3.43Å; K268-L271 PolarHBondContact O-N 3.32Å; K268-V272 WeakPolarHBondContact O-CG2 3.49Å; K268-V272 PolarHBondContact O-N 3.49Å; K268-V272 VanDerWaalsContact O-N 3.13Å
269E90.9Very high92.4Very high133 Ų13388.5 Ų88.562%0.62144%0.439SS*.Hα-helixtrans-60.8-46.3176.4-70.1171.8-16400111.1S265 S266 L271 V272 E273S265-E269 PolarHBondContact O-N 2.97Å; S265-E269 VanDerWaalsContact O-N 3.1Å; S266-E269 PolarHBondContact O-N 3.49Å; E269-L271 VanDerWaalsContact C-N 3.27Å; E269-L271 PolarHBondContact O-N 2.91Å; E269-V272 PolarHBondContact O-N 3.26Å; E269-E273 PolarHBondContact O-N 3.12Å; E269-E273 VanDerWaalsContact O-N 3.07Å
270A88.4Confident92.6Very high21 Ų2190.8 Ų90.817%0.17445%0.449CS..Hα-helixtrans-68.8-23.9179.800000113.1S266 K268 R274S266-A270 WeakPolarHBondContact O-CB 3.4Å; S266-A270 PolarHBondContact O-N 2.77Å; K268-A270 VanDerWaalsContact C-N 3.34Å; A270-R274 WeakPolarHBondContact O-CB 3.4Å; A270-R274 VanDerWaalsContact O-CG 3.25Å; A270-R274 WeakPolarHBondContact O-CG 3.43Å; A270-R274 PolarHBondContact O-N 3.24Å; A270-R274 PolarHBondContact O-NH1 3.21Å; A270-R274 VanDerWaalsContact O-NH1 3.09Å
271L90.8Very high92.7Very high97 Ų9793.7 Ų93.751%0.50846%0.456SS..Hα-helixtrans-70.2-49.9171.3177.764.2000110.6Q267 K268 E269 E273 R274 E275Q267-L271 WeakPolarHBondContact O-CB 3.48Å; Q267-L271 PolarHBondContact O-N 3.43Å; K268-L271 WeakPolarHBondContact O-CB 3.43Å; K268-L271 PolarHBondContact O-N 3.32Å; E269-L271 VanDerWaalsContact C-N 3.27Å; E269-L271 PolarHBondContact O-N 2.91Å; L271-E273 VanDerWaalsContact C-N 3.28Å; L271-E273 PolarHBondContact O-N 3.01Å; L271-R274 PolarHBondContact O-N 2.97Å; L271-R274 VanDerWaalsContact O-N 3.12Å; L271-E275 HydrophobicContact CD1-CG 4.31Å; L271-E275 HydrophobicContact CG-CG 4.49Å; L271-E275 WeakPolarHBondContact O-CG 3.31Å; L271-E275 PolarHBondContact O-N 3.07Å
272V94.7Very high92.8Very high95 Ų9594 Ų9458%0.57645%0.449SS*.Hα-helixtrans-57.8-43179.1172.50000110.9K268 E269 E275 K276K268-V272 WeakPolarHBondContact O-CG2 3.49Å; K268-V272 PolarHBondContact O-N 3.49Å; K268-V272 VanDerWaalsContact O-N 3.13Å; E269-V272 PolarHBondContact O-N 3.26Å; V272-E275 PolarHBondContact O-N 2.87Å; V272-K276 PolarHBondContact O-N 3.17Å
273E92.7Very high93Very high94 Ų9492.6 Ų92.644%0.43944%0.442SS..Hα-helixtrans-64.5-41.7177.5-163.3-163.9165.200112.2E269 L271 K276 K277E269-E273 PolarHBondContact O-N 3.12Å; E269-E273 VanDerWaalsContact O-N 3.07Å; L271-E273 VanDerWaalsContact C-N 3.28Å; L271-E273 PolarHBondContact O-N 3.01Å; E273-K276 PolarHBondContact O-N 3.24Å; E273-K277 WeakPolarHBondContact O-CG 3.46Å; E273-K277 PolarHBondContact O-N 2.87Å; E273-K277 WeakPolarHBondContact OE1-CE 3.46Å; E273-K277 IonicContact OE1-NZ 3.41Å; E273-K277 PolarHBondContact OE1-NZ 3.28Å
274R92.1Very high93.2Very high119 Ų11996 Ų9645%0.44946%0.458SS..Hα-helixtrans-67.1-38.3177.5-77-177.3-177.891-6112.4N170 A270 L271 K277 L278N170-R274 PolarHBondContact ND2-NH2 2.9Å; N170-R274 VanDerWaalsContact ND2-NH2 3.18Å; A270-R274 WeakPolarHBondContact O-CB 3.4Å; A270-R274 VanDerWaalsContact O-CG 3.25Å; A270-R274 WeakPolarHBondContact O-CG 3.43Å; A270-R274 PolarHBondContact O-N 3.24Å; A270-R274 PolarHBondContact O-NH1 3.21Å; A270-R274 VanDerWaalsContact O-NH1 3.09Å; L271-R274 PolarHBondContact O-N 2.97Å; L271-R274 VanDerWaalsContact O-N 3.12Å; R274-K277 PolarHBondContact O-N 3.14Å; R274-L278 WeakPolarHBondContact O-CB 3.4Å; R274-L278 PolarHBondContact O-N 2.82Å
275E93.3Very high93.3Very high114 Ų11497 Ų9753%0.53346%0.464SS..Hα-helixtrans-62.2-43.6174.1-73.9-179.8153.600111.3L271 V272 L278 E279L271-E275 HydrophobicContact CD1-CG 4.31Å; L271-E275 HydrophobicContact CG-CG 4.49Å; L271-E275 WeakPolarHBondContact O-CG 3.31Å; L271-E275 PolarHBondContact O-N 3.07Å; V272-E275 PolarHBondContact O-N 2.87Å; E275-L278 WeakPolarHBondContact O-CB 3.24Å; E275-L278 PolarHBondContact O-N 2.77Å; E275-E279 PolarHBondContact O-N 2.67Å
276K95.6Very high93.5Very high141 Ų14197 Ų9761%0.61347%0.468SS*.Hα-helixtrans-59.6-49.1174-176-177.3174.4-174.30111.6V272 E273 L278 E279 E280V272-K276 PolarHBondContact O-N 3.17Å; E273-K276 PolarHBondContact O-N 3.24Å; K276-L278 VanDerWaalsContact C-N 3.3Å; K276-L278 PolarHBondContact O-N 3.1Å; K276-E279 PolarHBondContact O-N 2.94Å; K276-E280 WeakPolarHBondContact CE-OE1 3.47Å; K276-E280 WeakPolarHBondContact O-CG 3.48Å; K276-E280 PolarHBondContact O-N 3.47Å
277K94.4Very high93.8Very high73 Ų73103 Ų10332%0.31748%0.484SS..Hα-helixtrans-58.8-41.1176.7-76.2176.2-176.5164.40111.8E273 R274 E279 E280 Y281E273-K277 WeakPolarHBondContact O-CG 3.46Å; E273-K277 PolarHBondContact O-N 2.87Å; E273-K277 WeakPolarHBondContact OE1-CE 3.46Å; E273-K277 IonicContact OE1-NZ 3.41Å; E273-K277 PolarHBondContact OE1-NZ 3.28Å; R274-K277 PolarHBondContact O-N 3.14Å; K277-E279 VanDerWaalsContact C-N 3.32Å; K277-E279 PolarHBondContact O-N 3Å; K277-E280 WeakPolarHBondContact O-CB 3.3Å; K277-E280 PolarHBondContact O-N 3.28Å; K277-Y281 HydrophobicContact CB-CE2 4.49Å; K277-Y281 WeakPolarHBondContact O-CD2 3.41Å; K277-Y281 PolarHBondContact O-N 2.59Å
278L92.5Very high94.1Very high99 Ų99103.3 Ų103.352%0.51849%0.491SS..Hα-helixtrans-60.6-42.6177.4178.563.6000111.6R274 E275 K276 Y281 K282R274-L278 WeakPolarHBondContact O-CB 3.4Å; R274-L278 PolarHBondContact O-N 2.82Å; E275-L278 WeakPolarHBondContact O-CB 3.24Å; E275-L278 PolarHBondContact O-N 2.77Å; K276-L278 VanDerWaalsContact C-N 3.3Å; K276-L278 PolarHBondContact O-N 3.1Å; L278-Y281 PolarHBondContact O-N 2.92Å; L278-K282 WeakPolarHBondContact O-CG 3.27Å; L278-K282 PolarHBondContact O-N 3.12Å
279E95.8Very high94.2Very high90 Ų90100.2 Ų100.242%0.42148%0.484SS..Hα-helixtrans-66.3-39.7178.3-163.954.4-142.500111.9E275 K276 K277 Y281 K282 Q283E275-E279 PolarHBondContact O-N 2.67Å; K276-E279 PolarHBondContact O-N 2.94Å; K277-E279 VanDerWaalsContact C-N 3.32Å; K277-E279 PolarHBondContact O-N 3Å; E279-Y281 VanDerWaalsContact C-N 3.31Å; E279-Y281 PolarHBondContact O-N 3.05Å; E279-K282 PolarHBondContact O-N 3.25Å; E279-K282 WeakPolarHBondContact OE2-CD 3.47Å; E279-K282 IonicContact OE2-NZ 2.66Å; E279-K282 PolarHBondContact OE2-NZ 2.66Å; E279-Q283 WeakPolarHBondContact O-CG 3.49Å; E279-Q283 PolarHBondContact O-N 3.21Å
280E96.5Very high94.4Very high82 Ų8299.3 Ų99.338%0.38348%0.48SS..Hα-helixtrans-58.6-41.6171.7-68172.5-170.700111.9K276 K277 Q283 K284K276-E280 WeakPolarHBondContact CE-OE1 3.47Å; K276-E280 WeakPolarHBondContact O-CG 3.48Å; K276-E280 PolarHBondContact O-N 3.47Å; K277-E280 WeakPolarHBondContact O-CB 3.3Å; K277-E280 PolarHBondContact O-N 3.28Å; E280-Q283 PolarHBondContact O-N 3.26Å; E280-K284 WeakPolarHBondContact O-CG 3.33Å; E280-K284 PolarHBondContact O-N 3.13Å
281Y95.4Very high94.8Very high126 Ų126102.7 Ų102.749%0.49450%0.498SS..Hα-helixtrans-68.1-37176.8-77-61.6000113.2K277 L278 E279 Q283 K284 L285K277-Y281 HydrophobicContact CB-CE2 4.49Å; K277-Y281 WeakPolarHBondContact O-CD2 3.41Å; K277-Y281 PolarHBondContact O-N 2.59Å; L278-Y281 PolarHBondContact O-N 2.92Å; E279-Y281 VanDerWaalsContact C-N 3.31Å; E279-Y281 PolarHBondContact O-N 3.05Å; Y281-Q283 VanDerWaalsContact C-N 3.34Å; Y281-K284 HydrophobicContact CD1-CD 4.33Å; Y281-K284 PolarHBondContact O-N 3.33Å; Y281-L285 WeakPolarHBondContact O-CB 3.22Å; Y281-L285 PolarHBondContact O-N 2.82Å
282K95.3Very high94.9Very high108 Ų108106.5 Ų106.547%0.4751%0.505SS..Hα-helixtrans-62.3-42.7172.8-72.9175.8-172.6165.10111.6L278 E279 L285 A286L278-K282 WeakPolarHBondContact O-CG 3.27Å; L278-K282 PolarHBondContact O-N 3.12Å; E279-K282 PolarHBondContact O-N 3.25Å; E279-K282 WeakPolarHBondContact OE2-CD 3.47Å; E279-K282 IonicContact OE2-NZ 2.66Å; E279-K282 PolarHBondContact OE2-NZ 2.66Å; K282-L285 PolarHBondContact O-N 3.33Å; K282-A286 PolarHBondContact O-N 3.19Å
283Q96.5Very high94.9Very high97 Ų97110 Ų11045%0.45351%0.513SS..Hα-helixtrans-62.6-43.4175.7-68.9177.221.100111.6E279 E280 Y281 L285 A286 R287E279-Q283 WeakPolarHBondContact O-CG 3.49Å; E279-Q283 PolarHBondContact O-N 3.21Å; E280-Q283 PolarHBondContact O-N 3.26Å; Y281-Q283 VanDerWaalsContact C-N 3.34Å; Q283-L285 VanDerWaalsContact C-N 3.35Å; Q283-L285 PolarHBondContact O-N 3.48Å; Q283-A286 PolarHBondContact O-N 3.36Å; Q283-R287 WeakPolarHBondContact O-CG 3.4Å; Q283-R287 PolarHBondContact O-N 2.95Å; Q283-R287 VanDerWaalsContact O-N 3.12Å
284K95.9Very high94.9Very high120 Ų120110.7 Ų110.752%0.52252%0.516SS..Hα-helixtrans-59.5-45.2173.5-76177.6-179.7174.60111.6E280 Y281 A286 R287 V288E280-K284 WeakPolarHBondContact O-CG 3.33Å; E280-K284 PolarHBondContact O-N 3.13Å; Y281-K284 HydrophobicContact CD1-CD 4.33Å; Y281-K284 PolarHBondContact O-N 3.33Å; K284-A286 VanDerWaalsContact C-N 3.33Å; K284-A286 PolarHBondContact O-N 2.89Å; K284-R287 PolarHBondContact O-N 3.17Å; K284-V288 WeakPolarHBondContact O-CG2 3.22Å; K284-V288 PolarHBondContact O-N 3.11Å
285L94.1Very high95Very high111 Ų111109.6 Ų109.658%0.58152%0.519SS*.Hα-helixtrans-61.5-40.7178-179.262.8000112.1Y281 K282 Q283 R287 V288 T289Y281-L285 WeakPolarHBondContact O-CB 3.22Å; Y281-L285 PolarHBondContact O-N 2.82Å; K282-L285 PolarHBondContact O-N 3.33Å; Q283-L285 VanDerWaalsContact C-N 3.35Å; Q283-L285 PolarHBondContact O-N 3.48Å; L285-R287 PolarHBondContact O-N 3.41Å; L285-V288 PolarHBondContact O-N 3.41Å; L285-T289 WeakPolarHBondContact O-CB 3.29Å; L285-T289 PolarHBondContact O-N 3.37Å; L285-T289 PolarHBondContact O-OG1 2.84Å
286A95.9Very high94.9Very high62 Ų62111.1 Ų111.151%0.51252%0.523SS..Hα-helixtrans-60.8-44.317600000111.6K282 Q283 K284 T289 Q290K282-A286 PolarHBondContact O-N 3.19Å; Q283-A286 PolarHBondContact O-N 3.36Å; K284-A286 VanDerWaalsContact C-N 3.33Å; K284-A286 PolarHBondContact O-N 2.89Å; A286-T289 WeakPolarHBondContact O-CB 3.44Å; A286-T289 PolarHBondContact O-N 3.06Å; A286-Q290 PolarHBondContact O-N 2.81Å
287R96.3Very high94.7Very high168 Ų168108 Ų10863%0.63452%0.52SS*.Hα-helixtrans-62.1-45.9175.5-65.7178.4-166.6-170.64.4112Q283 K284 L285 T289 Q290 V291Q283-R287 WeakPolarHBondContact O-CG 3.4Å; Q283-R287 PolarHBondContact O-N 2.95Å; Q283-R287 VanDerWaalsContact O-N 3.12Å; K284-R287 PolarHBondContact O-N 3.17Å; L285-R287 PolarHBondContact O-N 3.41Å; R287-T289 VanDerWaalsContact C-N 3.26Å; R287-T289 PolarHBondContact O-N 2.78Å; R287-Q290 WeakPolarHBondContact O-CB 3.43Å; R287-Q290 PolarHBondContact O-N 2.97Å; R287-V291 WeakPolarHBondContact O-CG2 3.42Å; R287-V291 PolarHBondContact O-N 3.08Å
288V96.2Very high94.4Very high80 Ų80109.7 Ų109.749%0.48553%0.528SS..Hα-helixtrans-60.3-39.5176.3171.60000111.1K284 L285 V291 R292K284-V288 WeakPolarHBondContact O-CG2 3.22Å; K284-V288 PolarHBondContact O-N 3.11Å; L285-V288 PolarHBondContact O-N 3.41Å; V288-V291 PolarHBondContact O-N 3.1Å; V288-R292 WeakPolarHBondContact O-CB 3.44Å; V288-R292 PolarHBondContact O-N 3.47Å
289T94.4Very high94.3Very high75 Ų75109.9 Ų109.946%0.4653%0.529SS..Hα-helixtrans-66.1-39.4177.3-56.40000111.7L285 A286 R287 R292 K293L285-T289 WeakPolarHBondContact O-CB 3.29Å; L285-T289 PolarHBondContact O-N 3.37Å; L285-T289 PolarHBondContact O-OG1 2.84Å; A286-T289 WeakPolarHBondContact O-CB 3.44Å; A286-T289 PolarHBondContact O-N 3.06Å; R287-T289 VanDerWaalsContact C-N 3.26Å; R287-T289 PolarHBondContact O-N 2.78Å; T289-R292 PolarHBondContact O-N 2.83Å; T289-K293 PolarHBondContact O-N 3.37Å; T289-K293 VanDerWaalsContact O-N 3.08Å
290Q95.1Very high93.7Very high114 Ų114112.9 Ų112.953%0.53354%0.543SS..Hα-helixtrans-62.4-50.9174179.6176.3-1.900111.4A286 R287 R292 K293 E294A286-Q290 PolarHBondContact O-N 2.81Å; R287-Q290 WeakPolarHBondContact O-CB 3.43Å; R287-Q290 PolarHBondContact O-N 2.97Å; Q290-R292 PolarHBondContact O-N 3.14Å; Q290-K293 WeakPolarHBondContact O-CB 3.43Å; Q290-K293 PolarHBondContact O-N 3.38Å; Q290-E294 WeakPolarHBondContact CG-OE1 3.48Å; Q290-E294 PolarHBondContact NE2-OE1 3.38Å; Q290-E294 PolarHBondContact O-N 3.47Å
291V96.5Very high93.1Very high91 Ų91112.9 Ų112.955%0.55255%0.552SS**Hα-helixtrans-56.4-41.6177172.50000110.8R287 V288 K293 E294 L295R287-V291 WeakPolarHBondContact O-CG2 3.42Å; R287-V291 PolarHBondContact O-N 3.08Å; V288-V291 PolarHBondContact O-N 3.1Å; V291-K293 VanDerWaalsContact C-N 3.33Å; V291-K293 PolarHBondContact O-N 3.22Å; V291-E294 PolarHBondContact O-N 3.31Å; V291-L295 WeakPolarHBondContact O-CB 3.42Å; V291-L295 PolarHBondContact O-N 3.41Å
292R93.6Very high92.6Very high177 Ų177111.4 Ų111.467%0.66855%0.552SS**Hα-helixtrans-60.7-40.6176.1-174.1-176.4-64.2-178.3-1.5112.5V288 T289 Q290 K296V288-R292 WeakPolarHBondContact O-CB 3.44Å; V288-R292 PolarHBondContact O-N 3.47Å; T289-R292 PolarHBondContact O-N 2.83Å; Q290-R292 PolarHBondContact O-N 3.14Å; R292-K296 WeakPolarHBondContact O-CB 3.48Å; R292-K296 PolarHBondContact O-N 2.96Å; R292-K296 VanDerWaalsContact O-N 3.1Å
293K93.8Very high91.8Very high170 Ų170111.2 Ų111.274%0.73956%0.562SS**Hα-helixtrans-67-46.6178.3-174.4-177.8177.1-175.40111.1T289 Q290 V291 K296 S297T289-K293 PolarHBondContact O-N 3.37Å; T289-K293 VanDerWaalsContact O-N 3.08Å; Q290-K293 WeakPolarHBondContact O-CB 3.43Å; Q290-K293 PolarHBondContact O-N 3.38Å; V291-K293 VanDerWaalsContact C-N 3.33Å; V291-K293 PolarHBondContact O-N 3.22Å; K293-K296 PolarHBondContact O-N 3Å; K293-S297 PolarHBondContact O-N 3.18Å
294E93.9Very high90.8Very high108 Ų108111.1 Ų111.151%0.50557%0.565SS.*Hα-helixtrans-63.5-44.8178.1-70.8174.4-166.600111.3Q290 V291 K296 S297 H298Q290-E294 WeakPolarHBondContact CG-OE1 3.48Å; Q290-E294 PolarHBondContact NE2-OE1 3.38Å; Q290-E294 PolarHBondContact O-N 3.47Å; V291-E294 PolarHBondContact O-N 3.31Å; E294-K296 VanDerWaalsContact C-N 3.33Å; E294-K296 PolarHBondContact O-N 2.83Å; E294-S297 WeakPolarHBondContact O-CB 3.46Å; E294-S297 PolarHBondContact O-N 3.28Å; E294-S297 VanDerWaalsContact O-N 3.14Å; E294-H298 WeakPolarHBondContact O-CB 3.38Å; E294-H298 PolarHBondContact O-N 3.4Å
295L93.1Very high89.6Confident96 Ų96111.5 Ų111.550%0.50357%0.572SS.*Hα-helixtrans-59-42.6176.5-178.562.8000112V291 S297 H298 I299V291-L295 WeakPolarHBondContact O-CB 3.42Å; V291-L295 PolarHBondContact O-N 3.41Å; L295-S297 VanDerWaalsContact C-N 3.33Å; L295-S297 PolarHBondContact O-N 2.96Å; L295-H298 PolarHBondContact O-N 2.92Å; L295-I299 HydrophobicContact CD1-CD1 4.28Å; L295-I299 HydrophobicContact CD1-CG1 4.35Å; L295-I299 HydrophobicContact CG-CD1 4.02Å; L295-I299 VanDerWaalsContact O-CG1 3.31Å; L295-I299 WeakPolarHBondContact O-CG1 3.17Å; L295-I299 PolarHBondContact O-N 3.1Å
296K92.2Very high88.3Confident145 Ų145110.8 Ų110.863%0.6358%0.576SS**Hα-helixtrans-62.1-40.9176.9-172.9174-178177.40112R292 K293 E294 Q300R292-K296 WeakPolarHBondContact O-CB 3.48Å; R292-K296 PolarHBondContact O-N 2.96Å; R292-K296 VanDerWaalsContact O-N 3.1Å; K293-K296 PolarHBondContact O-N 3Å; E294-K296 VanDerWaalsContact C-N 3.33Å; E294-K296 PolarHBondContact O-N 2.83Å; K296-Q300 WeakPolarHBondContact O-CG 3.49Å; K296-Q300 PolarHBondContact O-N 3.41Å
297S91.1Very high86.6Confident76 Ų76114.5 Ų114.553%0.53159%0.587SS.*Hα-helixtrans-66.3-40.4174.2-169.90000111.5K293 E294 L295 Q300 S301K293-S297 PolarHBondContact O-N 3.18Å; E294-S297 WeakPolarHBondContact O-CB 3.46Å; E294-S297 PolarHBondContact O-N 3.28Å; E294-S297 VanDerWaalsContact O-N 3.14Å; L295-S297 VanDerWaalsContact C-N 3.33Å; L295-S297 PolarHBondContact O-N 2.96Å; S297-Q300 PolarHBondContact O-N 3.22Å; S297-S301 PolarHBondContact O-N 3.36Å
298H89.1Confident84.8Confident108 Ų108111.7 Ų111.750%0.558%0.584SS.*Hα-helixtrans-65.5-42.9-179.5-171.457.8000111.7E294 L295 Q300 S301 L302E294-H298 WeakPolarHBondContact O-CB 3.38Å; E294-H298 PolarHBondContact O-N 3.4Å; L295-H298 PolarHBondContact O-N 2.92Å; H298-Q300 PolarHBondContact O-N 3.27Å; H298-S301 PolarHBondContact O-N 3.36Å; H298-S301 PolarHBondContact O-OG 3.27Å; H298-L302 PolarHBondContact O-N 3.46Å
299I89.7Confident82.9Confident103 Ų103113 Ų11353%0.52859%0.594SS.*Hα-helixtrans-56.7-39.1175.6-71.3167000111.5L295 S301 L302L295-I299 HydrophobicContact CD1-CD1 4.28Å; L295-I299 HydrophobicContact CD1-CG1 4.35Å; L295-I299 HydrophobicContact CG-CD1 4.02Å; L295-I299 VanDerWaalsContact O-CG1 3.31Å; L295-I299 WeakPolarHBondContact O-CG1 3.17Å; L295-I299 PolarHBondContact O-N 3.1Å; I299-S301 VanDerWaalsContact C-N 3.25Å; I299-S301 PolarHBondContact O-N 3.17Å; I299-L302 PolarHBondContact O-N 3.31Å
300Q84Confident81.1Confident153 Ų153115.9 Ų115.972%0.71561%0.606SS**Hα-helixtrans-68.2-23.1177.3-68.4175.4-15.400113.7K296 S297 H298K296-Q300 WeakPolarHBondContact O-CG 3.49Å; K296-Q300 PolarHBondContact O-N 3.41Å; S297-Q300 PolarHBondContact O-N 3.22Å; H298-Q300 PolarHBondContact O-N 3.27Å
301S82.8Confident79.2Confident83 Ų83115.7 Ų115.758%0.5861%0.613SS**Hα-helixtrans-86.5-10.5175.865.50000113.7S297 H298 I299S297-S301 PolarHBondContact O-N 3.36Å; H298-S301 PolarHBondContact O-N 3.36Å; H298-S301 PolarHBondContact O-OG 3.27Å; I299-S301 VanDerWaalsContact C-N 3.25Å; I299-S301 PolarHBondContact O-N 3.17Å
302L84.9Confident77.2Confident95 Ų95117 Ų11750%0.49762%0.621SS.*SBendtrans-77.6141177.1-67.1174.6000110.1H298 I299 D304H298-L302 PolarHBondContact O-N 3.46Å; I299-L302 PolarHBondContact O-N 3.31Å; L302-D304 PolarHBondContact O-N 2.88Å
303P78Confident75.2Confident104 Ų104111.4 Ų111.468%0.67562%0.618SS**  trans-65.2131.4177.826.1-32.5000110.4L305P303-L305 PolarHBondContact O-N 3.19Å
304D76Confident73.2Confident95 Ų95106.6 Ų106.651%0.50862%0.617SS.*  trans-77.3100.8171.9-171.8-10.9000109.4L302 S306 L307L302-D304 PolarHBondContact O-N 2.88Å; D304-S306 PolarHBondContact O-N 3.45Å; D304-S306 VanDerWaalsContact O-N 3.14Å; D304-S306 VanDerWaalsContact OD1-CB 3.3Å; D304-S306 WeakPolarHBondContact OD1-CB 3.46Å; D304-S306 PolarHBondContact OD1-N 3.18Å; D304-S306 PolarHBondContact OD1-OG 3.39Å; D304-S306 PolarHBondContact OD2-OG 3.1Å; D304-L307 HydrophobicContact CB-CD1 4.02Å; D304-L307 HydrophobicContact CB-CG 4.23Å; D304-L307 PolarHBondContact O-N 2.96Å; D304-L307 VanDerWaalsContact O-N 3.1Å
305L69.9Low71.4Confident128 Ų128108.7 Ų108.767%0.6763%0.631SS**G310 helixtrans-65.1-12.2-179.3-63.1172.3000113P303 L307 L308P303-L305 PolarHBondContact O-N 3.19Å; L305-L307 VanDerWaalsContact C-N 3.34Å; L305-L308 HydrophobicContact CB-CD1 4.32Å; L305-L308 HydrophobicContact CD2-CD1 3.54Å
306S68.3Low69.8Low96 Ų96108.2 Ų108.267%0.67164%0.641SS**G310 helixtrans-78.8-16.9174.274.90000113.6D304D304-S306 PolarHBondContact O-N 3.45Å; D304-S306 VanDerWaalsContact O-N 3.14Å; D304-S306 VanDerWaalsContact OD1-CB 3.3Å; D304-S306 WeakPolarHBondContact OD1-CB 3.46Å; D304-S306 PolarHBondContact OD1-N 3.18Å; D304-S306 PolarHBondContact OD1-OG 3.39Å; D304-S306 PolarHBondContact OD2-OG 3.1Å
307L59.8Low68.2Low140 Ų140107.2 Ų107.273%0.73365%0.649SS**G310 helixtrans-90.8-1.9174.9-64.8175.1000112.9D304 L305D304-L307 HydrophobicContact CB-CD1 4.02Å; D304-L307 HydrophobicContact CB-CG 4.23Å; D304-L307 PolarHBondContact O-N 2.96Å; D304-L307 VanDerWaalsContact O-N 3.1Å; L305-L307 VanDerWaalsContact C-N 3.34Å
308L59.1Low66.7Low109 Ų109111.2 Ų111.257%0.57166%0.664SS**SBendtrans-65.9130.9171.2-71.1172.8000108.8L305 N310L305-L308 HydrophobicContact CB-CD1 4.32Å; L305-L308 HydrophobicContact CD2-CD1 3.54Å; L308-N310 PolarHBondContact O-N 3.08Å
309P56Low65.3Low107 Ų107109.7 Ų109.770%0.69566%0.664SS**  trans-56.3132.8176.122.5-30.9000109V311P309-V311 WeakPolarHBondContact O-CG2 3.35Å; P309-V311 PolarHBondContact O-N 3.06Å
310N55.4Low64.2Low135 Ų135108.7 Ų108.772%0.72267%0.666SS**  trans-61.7101.6-179.4-159.611000108.8L308 T312L308-N310 PolarHBondContact O-N 3.08Å; N310-T312 PolarHBondContact ND2-OG1 3.28Å; N310-T312 VanDerWaalsContact ND2-OG1 3.1Å; N310-T312 PolarHBondContact O-N 3.05Å; N310-T312 PolarHBondContact OD1-OG1 3.19Å
311V56.5Low63Low111 Ų111104.9 Ų104.967%0.67366%0.661SS**THydrogen-bonded Turntrans-7316.1-176.7-133.20000112.8P309 G313P309-V311 WeakPolarHBondContact O-CG2 3.35Å; P309-V311 PolarHBondContact O-N 3.06Å; V311-G313 VanDerWaalsContact C-N 3.34Å
312T53.8Low61.9Low117 Ų117102.9 Ų102.972%0.71865%0.653SS**THydrogen-bonded Turntrans-80.8-11.1171.447.60000113.5N310N310-T312 PolarHBondContact ND2-OG1 3.28Å; N310-T312 VanDerWaalsContact ND2-OG1 3.1Å; N310-T312 PolarHBondContact O-N 3.05Å; N310-T312 PolarHBondContact OD1-OG1 3.19Å
313G52.6Low61Low60 Ų60103.9 Ų103.962%0.61966%0.659SS**SBendtrans-90.5101.5165.800000109.1V311V311-G313 VanDerWaalsContact C-N 3.34Å
314G51.1Low60Low70 Ų70104.9 Ų104.972%0.72266%0.658SS**  trans-40.1134.1-168.600000115.4A316G314-A316 PolarHBondContact O-N 2.65Å
315L56.3Low59.3Low151 Ų151108.6 Ų108.679%0.79167%0.67SS**PPolyproline II helixtrans-50.2133.5164.4-66.3169.6000108.4
316A59.1Low58.6Low86 Ų86107 Ų10771%0.71167%0.669SS**PPolyproline II helixtrans-50.5133.4169.200000108.2G314 L318G314-A316 PolarHBondContact O-N 2.65Å; A316-L318 PolarHBondContact O-N 2.89Å
317P59.9Low57.9Low124 Ų124108.7 Ų108.781%0.80568%0.676SS**PPolyproline II helixtrans-53.4130.1178.8-2029.8000108.4
318L59.1Low57.4Low160 Ų160113.6 Ų113.684%0.83870%0.703SS**PPolyproline II helixtrans-53.7139.1171.8-73165.7000108.2A316 S320A316-L318 PolarHBondContact O-N 2.89Å; L318-S320 PolarHBondContact O-N 3.38Å
319P60.2Low57.3Low77 Ų77113.9 Ų113.950%0.571%0.71SS.*PPolyproline II helixtrans-51.9133.4177.519.4-29.9000109.2D323P319-D323 HydrophobicContact CB-CB 4.08Å
320S65.6Low57.4Low82 Ų82114.2 Ų114.257%0.57371%0.71SS**PPolyproline II helixtrans-60.6149.9178.2178.60000108.8L318 G322 D323L318-S320 PolarHBondContact O-N 3.38Å; S320-G322 PolarHBondContact O-N 2.83Å; S320-D323 WeakPolarHBondContact O-CB 3.49Å; S320-D323 PolarHBondContact O-N 2.9Å
321A58.9Low57.5Low73 Ų73113.1 Ų113.160%0.60371%0.71SS**THydrogen-bonded Turntrans-54-20.6177.400000113.1F325A321-F325 VanDerWaalsContact O-CD2 3.3Å; A321-F325 WeakPolarHBondContact O-CD2 3.3Å
322G59.8Low57.6Low41 Ų41113.2 Ų113.242%0.42371%0.712SS.*THydrogen-bonded Turntrans-72.6-27.1172.200000115.5S320 L324 S326S320-G322 PolarHBondContact O-N 2.83Å; G322-L324 VanDerWaalsContact C-N 3.34Å; G322-S326 PolarHBondContact O-N 3.38Å; G322-S326 PolarHBondContact O-OG 2.85Å
323D65Low57.8Low115 Ų115112.9 Ų112.962%0.61571%0.712SS**THydrogen-bonded Turntrans-74.9-24.5177.9-77.4-23.9000112.2P319 S320 F325P319-D323 HydrophobicContact CB-CB 4.08Å; S320-D323 WeakPolarHBondContact O-CB 3.49Å; S320-D323 PolarHBondContact O-N 2.9Å; D323-F325 VanDerWaalsContact C-N 3.31Å
324L58.3Low58.2Low125 Ų125116.5 Ų116.565%0.65472%0.718SS**THydrogen-bonded Turntrans-78.8-13.7179.4-72.3168.8000113.7G322G322-L324 VanDerWaalsContact C-N 3.34Å
325F60.3Low58.7Low173 Ų173119.8 Ų119.876%0.75972%0.717SS**SBendtrans-125.19.2-176.8-62.8-71.3000114A321 D323 T327A321-F325 VanDerWaalsContact O-CD2 3.3Å; A321-F325 WeakPolarHBondContact O-CD2 3.3Å; D323-F325 VanDerWaalsContact C-N 3.31Å; F325-T327 PolarHBondContact O-N 3.12Å; F325-T327 VanDerWaalsContact O-N 3.12Å
326S55.6Low58.9Low95 Ų95117.4 Ų117.466%0.66471%0.712SS**  trans-8290.1172.4-64.10000109.2G322G322-S326 PolarHBondContact O-N 3.38Å; G322-S326 PolarHBondContact O-OG 2.85Å
327T53.3Low58.8Low131 Ų131120 Ų12080%0.80471%0.712SS**  trans-79.4111.4164.449.30000108.8F325F325-T327 PolarHBondContact O-N 3.12Å; F325-T327 VanDerWaalsContact O-N 3.12Å
328D50.1Low58.7Low244 Ų244119.6 Ų119.6100%1.30570%0.703SS**  trans-127.20149.2-99.1-22.5000108.8

Retrieved 328 of 328 residues in 691.6 ms (Link to these results)

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