A0A5K4F3V8_SCHMA Loading...

ENTH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3V8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 596 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
1M62.1Low74.2Confident89 Ų8983.6 Ų83.644%0.43843%0.43SS..  0145.20-53.8-163.4-16700113.7R5 N9 R19 E23M1-R5 VanDerWaalsContact CG-NH1 3.28Å; M1-N9 PolarHBondContact SD-ND2 3.15Å; M1-N9 VanDerWaalsContact SD-ND2 3.36Å; M1-R19 HydrophobicContact CE-CG 3.52Å; M1-E23 WeakPolarHBondContact CA-OE1 3.26Å; M1-E23 WeakPolarHBondContact CE-OE2 3.35Å; M1-E23 WeakPolarHBondContact CG-OE1 3.36Å; M1-E23 WeakPolarHBondContact CG-OE2 3.41Å; M1-E23 PolarHBondContact N-OE1 2.58Å
2P76Confident74.6Confident68 Ų6885.1 Ų85.144%0.44243%0.433SS..  trans-68.4148.6157.6-18.532.8000113.2H4 R5 H6P2-H4 PolarHBondContact O-N 2.96Å; P2-R5 WeakPolarHBondContact O-CB 3.36Å; P2-R5 PolarHBondContact O-N 2.78Å; P2-H6 PolarHBondContact O-N 3.4Å
3I76Confident75.5Confident138 Ų13889.8 Ų89.871%0.70846%0.46SS*.Hα-helixtrans-56-49.2-173.7-62.7170.5000112.8R5 H6 I7I3-R5 PolarHBondContact O-N 2.85Å; I3-H6 WeakPolarHBondContact O-CA 3.47Å; I3-H6 WeakPolarHBondContact O-CB 3.42Å; I3-H6 PolarHBondContact O-N 3.32Å; I3-I7 HydrophobicContact CG2-CD1 3.91Å; I3-I7 HydrophobicContact CG2-CG1 4.4Å; I3-I7 PolarHBondContact O-N 3.07Å
4H76.6Confident76.5Confident122 Ų12286.1 Ų86.157%0.56544%0.438SS*.Hα-helixtrans-56.2-34.2178.2-179.6-177000112.2P2 K8P2-H4 PolarHBondContact O-N 2.96Å; H4-K8 WeakPolarHBondContact NE2-CE 3.5Å; H4-K8 PolarHBondContact NE2-NZ 2.76Å; H4-K8 WeakPolarHBondContact O-CB 3.37Å; H4-K8 PolarHBondContact O-N 3.21Å
5R77.1Confident77.6Confident33 Ų3383.3 Ų83.313%0.12543%0.427CS..Hα-helixtrans-73.4-36.3175.6-177.9170.2164.7-88.2-33112M1 P2 I3 K8 N9 R19 R22 E23M1-R5 VanDerWaalsContact CG-NH1 3.28Å; P2-R5 WeakPolarHBondContact O-CB 3.36Å; P2-R5 PolarHBondContact O-N 2.78Å; I3-R5 PolarHBondContact O-N 2.85Å; R5-K8 PolarHBondContact O-N 3.42Å; R5-N9 PolarHBondContact O-N 3.1Å; R5-N9 PolarHBondContact O-ND2 3.27Å; R5-N9 PolarHBondContact O-OD1 3.08Å; R5-R19 PolarHBondContact NH2-O 3.24Å; R5-R22 VanDerWaalsContact CZ-C 3.42Å; R5-R22 PolarHBondContact NE-O 3.08Å; R5-R22 PolarHBondContact NH2-O 3.19Å; R5-E23 VanDerWaalsContact CZ-CA 3.48Å; R5-E23 VanDerWaalsContact NH1-CA 3.33Å; R5-E23 IonicContact NH1-OE1 2.7Å; R5-E23 IonicContact NH1-OE2 3.64Å
6H73.3Confident78.5Confident95 Ų9582.8 Ų82.844%0.4443%0.426SS..Hα-helixtrans-62.2-49.1172.4-174.598.1000111.3P2 I3 K8 N9 V10P2-H6 PolarHBondContact O-N 3.4Å; I3-H6 WeakPolarHBondContact O-CA 3.47Å; I3-H6 WeakPolarHBondContact O-CB 3.42Å; I3-H6 PolarHBondContact O-N 3.32Å; H6-K8 VanDerWaalsContact C-N 3.34Å; H6-K8 PolarHBondContact O-N 3.11Å; H6-N9 WeakPolarHBondContact O-CA 3.45Å; H6-N9 WeakPolarHBondContact O-CB 3.45Å; H6-N9 PolarHBondContact O-N 2.86Å; H6-V10 PolarHBondContact O-N 2.75Å; H6-V10 VanDerWaalsContact O-N 3.08Å
7I75.4Confident79.5Confident93 Ų9378.2 Ų78.248%0.47740%0.403SS..Hα-helixtrans-55.5-49.4176.1-64.2168.8000110.5I3 N9 V10 V11I3-I7 HydrophobicContact CG2-CD1 3.91Å; I3-I7 HydrophobicContact CG2-CG1 4.4Å; I3-I7 PolarHBondContact O-N 3.07Å; I7-N9 PolarHBondContact O-N 2.72Å; I7-V10 PolarHBondContact O-N 3.03Å; I7-V10 VanDerWaalsContact O-N 3.12Å; I7-V11 HydrophobicContact CG2-CG2 4.19Å; I7-V11 WeakPolarHBondContact O-CG2 3.37Å; I7-V11 PolarHBondContact O-N 2.67Å
8K76Confident80.4Confident98 Ų9875.8 Ų75.843%0.42639%0.389SS..Hα-helixtrans-58.3-31.7175.2-86.3174.3165.5159.80113.3H4 R5 H6 H12H4-K8 WeakPolarHBondContact NE2-CE 3.5Å; H4-K8 PolarHBondContact NE2-NZ 2.76Å; H4-K8 WeakPolarHBondContact O-CB 3.37Å; H4-K8 PolarHBondContact O-N 3.21Å; R5-K8 PolarHBondContact O-N 3.42Å; H6-K8 VanDerWaalsContact C-N 3.34Å; H6-K8 PolarHBondContact O-N 3.11Å; K8-H12 PolarHBondContact O-N 3.03Å; K8-H12 PolarHBondContact O-ND1 3.09Å
9N78Confident81.1Confident1 Ų175.6 Ų75.61%0.00538%0.383CS..Hα-helixtrans-75.2-30.2177.8-64.9-20.6000113.4M1 R5 H6 I7 Y14 R22M1-N9 PolarHBondContact SD-ND2 3.15Å; M1-N9 VanDerWaalsContact SD-ND2 3.36Å; R5-N9 PolarHBondContact O-N 3.1Å; R5-N9 PolarHBondContact O-ND2 3.27Å; R5-N9 PolarHBondContact O-OD1 3.08Å; H6-N9 WeakPolarHBondContact O-CA 3.45Å; H6-N9 WeakPolarHBondContact O-CB 3.45Å; H6-N9 PolarHBondContact O-N 2.86Å; I7-N9 PolarHBondContact O-N 2.72Å; N9-Y14 PolarHBondContact O-N 2.84Å; N9-R22 PolarHBondContact OD1-NE 3.39Å; N9-R22 PolarHBondContact OD1-NH2 3.05Å
10V73.5Confident81.8Confident81 Ų8174 Ų7449%0.49137%0.373SS..Hα-helixtrans-73.4-48.6172.6178.60000110.6H6 I7 H12 N13H6-V10 PolarHBondContact O-N 2.75Å; H6-V10 VanDerWaalsContact O-N 3.08Å; I7-V10 PolarHBondContact O-N 3.03Å; I7-V10 VanDerWaalsContact O-N 3.12Å; V10-H12 VanDerWaalsContact C-N 3.26Å; V10-H12 PolarHBondContact O-N 3.25Å; V10-N13 PolarHBondContact O-N 3.39Å; V10-N13 VanDerWaalsContact O-N 3.07Å
11V72.3Confident82.5Confident102 Ų10270.4 Ų70.462%0.61836%0.356SS*.Hα-helixtrans-62-27.8-175.9170.20000113.9I7I7-V11 HydrophobicContact CG2-CG2 4.19Å; I7-V11 WeakPolarHBondContact O-CG2 3.37Å; I7-V11 PolarHBondContact O-N 2.67Å
12H79.3Confident84.1Confident101 Ų10167.9 Ų67.947%0.46834%0.341SS..THydrogen-bonded Turntrans-102.49.2179-62.173.6000113K8 V10 Y14K8-H12 PolarHBondContact O-N 3.03Å; K8-H12 PolarHBondContact O-ND1 3.09Å; V10-H12 VanDerWaalsContact C-N 3.26Å; V10-H12 PolarHBondContact O-N 3.25Å; H12-Y14 HydrophobicContact CB-CD1 4.44Å; H12-Y14 HydrophobicContact CB-CD2 3.79Å; H12-Y14 HydrophobicContact CB-CE1 4.13Å; H12-Y14 HydrophobicContact CB-CE2 3.34Å; H12-Y14 HydrophobicContact CB-CG 4.3Å; H12-Y14 AromaticContact CG-CE2 3.81Å; H12-Y14 PolarHBondContact O-N 2.9Å
13N86.4Confident84.9Confident146 Ų14667.1 Ų67.178%0.78133%0.332SS*.THydrogen-bonded Turntrans52.824.9179.9-64.295.4000116V10 T15V10-N13 PolarHBondContact O-N 3.39Å; V10-N13 VanDerWaalsContact O-N 3.07Å; N13-T15 PolarHBondContact O-N 2.82Å
14Y89.4Confident85.9Confident38 Ų3860.6 Ų60.615%0.14930%0.298CS..  trans-58.8134.5-177.2-66.1-53.3000112.3N9 H12 E18 R19 R22 M56N9-Y14 PolarHBondContact O-N 2.84Å; H12-Y14 HydrophobicContact CB-CD1 4.44Å; H12-Y14 HydrophobicContact CB-CD2 3.79Å; H12-Y14 HydrophobicContact CB-CE1 4.13Å; H12-Y14 HydrophobicContact CB-CE2 3.34Å; H12-Y14 HydrophobicContact CB-CG 4.3Å; H12-Y14 AromaticContact CG-CE2 3.81Å; H12-Y14 PolarHBondContact O-N 2.9Å; Y14-E18 VanDerWaalsContact CA-OE2 3.26Å; Y14-E18 WeakPolarHBondContact CA-OE2 3.4Å; Y14-E18 HydrophobicContact CD1-CB 4.46Å; Y14-E18 VanDerWaalsContact CD1-OE1 3.25Å; Y14-E18 WeakPolarHBondContact CD1-OE1 3.22Å; Y14-E18 WeakPolarHBondContact CD1-OE2 3.33Å; Y14-R19 PolarHBondContact O-NH2 3.25Å; Y14-R22 VanDerWaalsContact CD2-NE 3.31Å; Y14-R22 PolarHBondContact OH-NH1 3.47Å; Y14-M56 HydrophobicContact CD1-CE 4.35Å; Y14-M56 HydrophobicContact CE1-CE 4.17Å
15T92.9Very high86.8Confident45 Ų4554.8 Ų54.828%0.27627%0.271SS..  trans-62.9167-179.480.80000111.4N13 A17 E18 R19 E52N13-T15 PolarHBondContact O-N 2.82Å; T15-A17 PolarHBondContact O-N 3.36Å; T15-A17 PolarHBondContact OG1-N 2.91Å; T15-E18 PolarHBondContact N-OE2 2.84Å; T15-E18 PolarHBondContact O-N 3.25Å; T15-E18 PolarHBondContact OG1-N 2.96Å; T15-E18 VanDerWaalsContact OG1-N 3.16Å; T15-R19 WeakPolarHBondContact O-CB 3.42Å; T15-R19 PolarHBondContact O-N 3Å; T15-E52 VanDerWaalsContact CB-OE2 3.29Å; T15-E52 WeakPolarHBondContact CB-OE2 3.33Å; T15-E52 VanDerWaalsContact CG2-OE2 3.3Å; T15-E52 WeakPolarHBondContact CG2-OE2 3.3Å; T15-E52 PolarHBondContact OG1-OE2 2.68Å
16D92.2Very high87.6Confident75 Ų7553.4 Ų53.440%0.40127%0.267SS..Hα-helixtrans-61.2-34.2173.9-17756000112.2R19 K20 K43D16-R19 PolarHBondContact O-N 3.15Å; D16-K20 WeakPolarHBondContact O-CG 3.37Å; D16-K20 PolarHBondContact O-N 3.18Å; D16-K20 VanDerWaalsContact O-N 3.09Å; D16-K20 WeakPolarHBondContact OD1-CE 3.47Å; D16-K20 VanDerWaalsContact OD2-CE 3.31Å; D16-K20 WeakPolarHBondContact OD2-CE 3.27Å; D16-K20 IonicContact OD2-NZ 3.95Å; D16-K43 WeakPolarHBondContact OD2-CE 3.4Å; D16-K43 IonicContact OD2-NZ 3.24Å; D16-K43 PolarHBondContact OD2-NZ 2.81Å
17A95.1Very high88.5Confident5 Ų552.4 Ų52.44%0.04126%0.264CS..Hα-helixtrans-67.5-52.4177.800000111.3T15 R19 K20 V21 K43 A49 I53T15-A17 PolarHBondContact O-N 3.36Å; T15-A17 PolarHBondContact OG1-N 2.91Å; A17-R19 VanDerWaalsContact C-N 3.28Å; A17-R19 PolarHBondContact O-N 3.1Å; A17-K20 PolarHBondContact O-N 3.03Å; A17-V21 WeakPolarHBondContact O-CG2 3.31Å; A17-V21 PolarHBondContact O-N 3.27Å; A17-K43 HydrophobicContact CB-CD 4.17Å; A17-A49 HydrophobicContact CB-CB 3.93Å; A17-I53 HydrophobicContact CB-CD1 4.23Å; A17-I53 HydrophobicContact CB-CG1 4Å
18E94.9Very high89.2Confident34 Ų3449.5 Ų49.516%0.15925%0.25CS..Hα-helixtrans-57.3-41.4174-69.5-175.399.700112.3Y14 T15 K20 V21 R22 E52 M56Y14-E18 VanDerWaalsContact CA-OE2 3.26Å; Y14-E18 WeakPolarHBondContact CA-OE2 3.4Å; Y14-E18 HydrophobicContact CD1-CB 4.46Å; Y14-E18 VanDerWaalsContact CD1-OE1 3.25Å; Y14-E18 WeakPolarHBondContact CD1-OE1 3.22Å; Y14-E18 WeakPolarHBondContact CD1-OE2 3.33Å; T15-E18 PolarHBondContact N-OE2 2.84Å; T15-E18 PolarHBondContact O-N 3.25Å; T15-E18 PolarHBondContact OG1-N 2.96Å; T15-E18 VanDerWaalsContact OG1-N 3.16Å; E18-K20 PolarHBondContact O-N 3.18Å; E18-V21 PolarHBondContact O-N 3.01Å; E18-R22 VanDerWaalsContact O-CB 3.25Å; E18-R22 WeakPolarHBondContact O-CB 3.32Å; E18-R22 WeakPolarHBondContact O-CD 3.31Å; E18-R22 WeakPolarHBondContact O-CG 3.43Å; E18-R22 PolarHBondContact O-N 3.49Å; E18-E52 HydrophobicContact CG-CB 4.02Å; E18-M56 HydrophobicContact CB-CE 4.11Å; E18-M56 HydrophobicContact CG-CE 3.98Å; E18-M56 WeakPolarHBondContact OE1-CE 3.43Å
19R93.8Very high89.9Confident72 Ų7250 Ų5027%0.27226%0.264SS..Hα-helixtrans-61.6-41.1-179179.7-179.6-55.7-151.60.4112.3M1 R5 Y14 T15 D16 A17 E23M1-R19 HydrophobicContact CE-CG 3.52Å; R5-R19 PolarHBondContact NH2-O 3.24Å; Y14-R19 PolarHBondContact O-NH2 3.25Å; T15-R19 WeakPolarHBondContact O-CB 3.42Å; T15-R19 PolarHBondContact O-N 3Å; D16-R19 PolarHBondContact O-N 3.15Å; A17-R19 VanDerWaalsContact C-N 3.28Å; A17-R19 PolarHBondContact O-N 3.1Å; R19-E23 PolarHBondContact O-N 3.26Å
20K95.3Very high90.5Very high43 Ų4358 Ų5819%0.18729%0.294CS..Hα-helixtrans-70.2-46.3174.9-70.1-174.2-168.7-160.60111.8D16 A17 E18 R22 E23 A24 L36 E39 I40D16-K20 WeakPolarHBondContact O-CG 3.37Å; D16-K20 PolarHBondContact O-N 3.18Å; D16-K20 VanDerWaalsContact O-N 3.09Å; D16-K20 WeakPolarHBondContact OD1-CE 3.47Å; D16-K20 VanDerWaalsContact OD2-CE 3.31Å; D16-K20 WeakPolarHBondContact OD2-CE 3.27Å; D16-K20 IonicContact OD2-NZ 3.95Å; A17-K20 PolarHBondContact O-N 3.03Å; E18-K20 PolarHBondContact O-N 3.18Å; K20-R22 VanDerWaalsContact C-N 3.28Å; K20-R22 PolarHBondContact O-N 2.76Å; K20-E23 WeakPolarHBondContact O-CA 3.45Å; K20-E23 WeakPolarHBondContact O-CB 3.45Å; K20-E23 PolarHBondContact O-N 3.46Å; K20-A24 PolarHBondContact O-N 2.82Å; K20-L36 HydrophobicContact CB-CD1 3.81Å; K20-L36 HydrophobicContact CD-CD1 4.21Å; K20-L36 HydrophobicContact CG-CD1 3.89Å; K20-E39 HydrophobicContact CD-CB 4.28Å; K20-E39 WeakPolarHBondContact CE-OE2 3.48Å; K20-E39 IonicContact NZ-OE2 3.63Å; K20-E39 PolarHBondContact NZ-OE2 3.39Å; K20-I40 HydrophobicContact CB-CD1 4.12Å; K20-I40 HydrophobicContact CB-CG1 3.78Å
21V96.8Very high91.3Very high0 Ų056.5 Ų56.50%029%0.294CS..Hα-helixtrans-57.7-42.3174.1174.80000111.3A17 E18 E23 A24 T25 I40 I53 M56 I57 L77A17-V21 WeakPolarHBondContact O-CG2 3.31Å; A17-V21 PolarHBondContact O-N 3.27Å; E18-V21 PolarHBondContact O-N 3.01Å; V21-E23 PolarHBondContact O-N 2.8Å; V21-A24 PolarHBondContact O-N 3.03Å; V21-T25 HydrophobicContact CG1-CG2 4.37Å; V21-T25 WeakPolarHBondContact O-CB 3.31Å; V21-T25 WeakPolarHBondContact O-CG2 3.37Å; V21-T25 PolarHBondContact O-N 2.95Å; V21-T25 PolarHBondContact O-OG1 3.05Å; V21-I40 HydrophobicContact CG2-CD1 4.22Å; V21-I40 HydrophobicContact CG2-CG1 4.41Å; V21-I40 HydrophobicContact CG2-CG2 3.89Å; V21-I53 HydrophobicContact CG2-CB 4.1Å; V21-I53 HydrophobicContact CG2-CG1 3.78Å; V21-I53 HydrophobicContact CG2-CG2 3.88Å; V21-M56 HydrophobicContact CB-CB 4.42Å; V21-M56 HydrophobicContact CB-CG 4.11Å; V21-M56 HydrophobicContact CG1-CB 3.91Å; V21-M56 HydrophobicContact CG1-CG 3.64Å; V21-I57 HydrophobicContact CG1-CG1 3.82Å; V21-L77 HydrophobicContact CG1-CD2 4.07Å; V21-L77 HydrophobicContact CG2-CD2 4.38Å
22R95.1Very high92.4Very high36 Ų3652.7 Ų52.714%0.13627%0.272CS..Hα-helixtrans-64.2-17.5175.2-72.7163.860.185.7-2.8113.7R5 N9 Y14 E18 K20 T25 M56 R60R5-R22 VanDerWaalsContact CZ-C 3.42Å; R5-R22 PolarHBondContact NE-O 3.08Å; R5-R22 PolarHBondContact NH2-O 3.19Å; N9-R22 PolarHBondContact OD1-NE 3.39Å; N9-R22 PolarHBondContact OD1-NH2 3.05Å; Y14-R22 VanDerWaalsContact CD2-NE 3.31Å; Y14-R22 PolarHBondContact OH-NH1 3.47Å; E18-R22 VanDerWaalsContact O-CB 3.25Å; E18-R22 WeakPolarHBondContact O-CB 3.32Å; E18-R22 WeakPolarHBondContact O-CD 3.31Å; E18-R22 WeakPolarHBondContact O-CG 3.43Å; E18-R22 PolarHBondContact O-N 3.49Å; K20-R22 VanDerWaalsContact C-N 3.28Å; K20-R22 PolarHBondContact O-N 2.76Å; R22-T25 WeakPolarHBondContact CA-OG1 3.46Å; R22-M56 HydrophobicContact CG-CE 4.36Å; R22-M56 HydrophobicContact CG-CG 3.96Å; R22-M56 HydrophobicContact CG-SD 3.64Å; R22-R60 PolarHBondContact O-NH2 3.45Å
23E94.3Very high93.1Very high52 Ų5251.1 Ų51.124%0.24327%0.272CS..Hα-helixtrans-91.7-44.4175.7-170.3142.2-147.300111.5M1 R5 R19 K20 V21 T25 S26 L36M1-E23 WeakPolarHBondContact CA-OE1 3.26Å; M1-E23 WeakPolarHBondContact CE-OE2 3.35Å; M1-E23 WeakPolarHBondContact CG-OE1 3.36Å; M1-E23 WeakPolarHBondContact CG-OE2 3.41Å; M1-E23 PolarHBondContact N-OE1 2.58Å; R5-E23 VanDerWaalsContact CZ-CA 3.48Å; R5-E23 VanDerWaalsContact NH1-CA 3.33Å; R5-E23 IonicContact NH1-OE1 2.7Å; R5-E23 IonicContact NH1-OE2 3.64Å; R19-E23 PolarHBondContact O-N 3.26Å; K20-E23 WeakPolarHBondContact O-CA 3.45Å; K20-E23 WeakPolarHBondContact O-CB 3.45Å; K20-E23 PolarHBondContact O-N 3.46Å; V21-E23 PolarHBondContact O-N 2.8Å; E23-T25 PolarHBondContact O-N 3.42Å; E23-S26 WeakPolarHBondContact O-CB 3.35Å; E23-S26 PolarHBondContact O-N 3.26Å; E23-S26 VanDerWaalsContact O-N 3.13Å; E23-S26 PolarHBondContact O-OG 3.38Å; E23-L36 HydrophobicContact CB-CD2 3.88Å; E23-L36 HydrophobicContact CG-CD2 3.84Å
24A96.2Very high93.4Very high0 Ų047.5 Ų47.50%026%0.258CS..Hα-helixtrans-56.5-37.2169.900000111.4K20 V21 P32 L36 I40 K73 L77K20-A24 PolarHBondContact O-N 2.82Å; V21-A24 PolarHBondContact O-N 3.03Å; A24-P32 HydrophobicContact CB-CB 3.91Å; A24-L36 HydrophobicContact CB-CD2 4.12Å; A24-I40 HydrophobicContact CB-CD1 3.86Å; A24-K73 WeakPolarHBondContact O-CB 3.48Å; A24-K73 WeakPolarHBondContact O-CE 3.32Å; A24-L77 HydrophobicContact CB-CD1 4.34Å; A24-L77 HydrophobicContact CB-CD2 4Å
25T95.8Very high93.6Very high0 Ų050.1 Ų50.10%028%0.279CS..THydrogen-bonded Turntrans-94.825.1177.762.40000114.4V21 R22 E23 R60 H70 A74 L77V21-T25 HydrophobicContact CG1-CG2 4.37Å; V21-T25 WeakPolarHBondContact O-CB 3.31Å; V21-T25 WeakPolarHBondContact O-CG2 3.37Å; V21-T25 PolarHBondContact O-N 2.95Å; V21-T25 PolarHBondContact O-OG1 3.05Å; R22-T25 WeakPolarHBondContact CA-OG1 3.46Å; E23-T25 PolarHBondContact O-N 3.42Å; T25-R60 HydrophobicContact CG2-CB 4.35Å; T25-R60 HydrophobicContact CG2-CG 4.2Å; T25-R60 PolarHBondContact O-NH2 3.21Å; T25-R60 PolarHBondContact OG1-NE 2.9Å; T25-R60 PolarHBondContact OG1-NH2 3.46Å; T25-H70 PolarHBondContact O-CD2 3.43Å; T25-A74 HydrophobicContact CG2-CB 4Å; T25-L77 HydrophobicContact CG2-CD2 4.36Å
26S93.3Very high93.8Very high4 Ų449.3 Ų49.33%0.02827%0.272CS..  trans-66.9156.8177.668.50000113.3E23 D28 K73E23-S26 WeakPolarHBondContact O-CB 3.35Å; E23-S26 PolarHBondContact O-N 3.26Å; E23-S26 VanDerWaalsContact O-N 3.13Å; E23-S26 PolarHBondContact O-OG 3.38Å; S26-D28 WeakPolarHBondContact CB-OD2 3.45Å; S26-D28 PolarHBondContact O-N 3.47Å; S26-D28 WeakPolarHBondContact OG-CB 3.43Å; S26-D28 PolarHBondContact OG-OD2 2.96Å; S26-K73 WeakPolarHBondContact O-CD 3.49Å; S26-K73 VanDerWaalsContact O-CE 3.23Å; S26-K73 WeakPolarHBondContact O-CE 3.46Å; S26-K73 PolarHBondContact O-NZ 2.87Å; S26-K73 PolarHBondContact OG-NZ 2.74Å
27N91.9Very high93.9Very high74 Ų7446.6 Ų46.640%0.39626%0.257SS..SBendtrans-74.32.8173.2-157.238.9000113.3R69 H70N27-R69 WeakPolarHBondContact O-CD 3.06Å; N27-R69 WeakPolarHBondContact OD1-CB 3.37Å; N27-H70 WeakPolarHBondContact CB-NE2 3.2Å; N27-H70 PolarHBondContact N-CD2 3.35Å; N27-H70 PolarHBondContact N-NE2 2.98Å
28D91.3Very high93.9Very high33 Ų3347 Ų4718%0.17626%0.26CS..SBendtrans-62.9145.2-178.7-46.2-34.3000110.1S26 W30 K73S26-D28 WeakPolarHBondContact CB-OD2 3.45Å; S26-D28 PolarHBondContact O-N 3.47Å; S26-D28 WeakPolarHBondContact OG-CB 3.43Å; S26-D28 PolarHBondContact OG-OD2 2.96Å; D28-W30 HydrophobicContact CB-CD2 3.99Å; D28-W30 VanDerWaalsContact CB-CE2 3.43Å; D28-W30 HydrophobicContact CB-CG 4.45Å; D28-W30 HydrophobicContact CB-CH2 4.2Å; D28-W30 HydrophobicContact CB-CZ2 3.56Å; D28-W30 PolarHBondContact O-N 3.39Å; D28-K73 PolarHBondContact O-NZ 3.44Å
29P89.9Confident94Very high109 Ų10948.8 Ų48.871%0.70827%0.269SS*.SBendtrans-71.8-10.7-169.928.6-35.7000114.6
30W91Very high94.2Very high168 Ų16845.4 Ų45.464%0.63626%0.256SS*.SBendtrans-92.3156.1173.449.480.8000112.2D28 K73D28-W30 HydrophobicContact CB-CD2 3.99Å; D28-W30 VanDerWaalsContact CB-CE2 3.43Å; D28-W30 HydrophobicContact CB-CG 4.45Å; D28-W30 HydrophobicContact CB-CH2 4.2Å; D28-W30 HydrophobicContact CB-CZ2 3.56Å; D28-W30 PolarHBondContact O-N 3.39Å; W30-K73 VanDerWaalsContact O-CE 3.29Å; W30-K73 WeakPolarHBondContact O-CE 3.39Å; W30-K73 PolarHBondContact O-NZ 2.99Å
31G91.1Very high94.2Very high49 Ų4943.3 Ų43.351%0.50525%0.247SC..PPolyproline II helixtrans-68.5170.917500000114
32P93.7Very high94.2Very high22 Ų2246.4 Ų46.414%0.14326%0.264CS..PPolyproline II helixtrans-63.9143.7169.229.6-36000111.4A24 M37 V76A24-P32 HydrophobicContact CB-CB 3.91Å; P32-M37 HydrophobicContact CB-CG 3.85Å; P32-M37 HydrophobicContact CB-SD 3.89Å; P32-M37 HydrophobicContact CG-CE 4.25Å; P32-M37 HydrophobicContact CG-CG 4.16Å; P32-M37 HydrophobicContact CG-SD 3.49Å; P32-M37 WeakPolarHBondContact CG-SD 3.49Å; P32-V76 HydrophobicContact CG-CG1 3.81Å
33S94.6Very high94.3Very high69 Ų6947.4 Ų47.448%0.48327%0.269SS..PPolyproline II helixtrans-73.1138.5173.2173.70000111.1T35 L36 M37S33-T35 VanDerWaalsContact C-N 3.27Å; S33-T35 PolarHBondContact O-N 3.01Å; S33-L36 WeakPolarHBondContact O-CB 3.42Å; S33-L36 PolarHBondContact O-N 3.05Å; S33-M37 WeakPolarHBondContact O-CG 3.43Å; S33-M37 PolarHBondContact O-N 2.91Å
34S93Very high94.4Very high70 Ų7045 Ų4549%0.4926%0.258SS..Hα-helixtrans-54.8-39.9177.9-50.10000112.9L36 M37 A38S34-L36 PolarHBondContact O-N 2.99Å; S34-M37 PolarHBondContact O-N 3.18Å; S34-A38 PolarHBondContact O-N 3.31Å
35T94.3Very high94.4Very high93 Ų9350 Ų5057%0.57128%0.281SS*.Hα-helixtrans-61.3-44.6176-44.20000111.4S33 M37 A38 E39S33-T35 VanDerWaalsContact C-N 3.27Å; S33-T35 PolarHBondContact O-N 3.01Å; T35-M37 VanDerWaalsContact C-N 3.33Å; T35-M37 PolarHBondContact O-N 3.25Å; T35-A38 PolarHBondContact O-N 3.35Å; T35-E39 WeakPolarHBondContact O-CG 3.27Å; T35-E39 PolarHBondContact O-N 3.24Å
36L95.5Very high94.4Very high28 Ų2854.2 Ų54.215%0.14730%0.304CS..Hα-helixtrans-66.8-35.1178.2179.164.6000111.7K20 E23 A24 S33 S34 I40K20-L36 HydrophobicContact CB-CD1 3.81Å; K20-L36 HydrophobicContact CD-CD1 4.21Å; K20-L36 HydrophobicContact CG-CD1 3.89Å; E23-L36 HydrophobicContact CB-CD2 3.88Å; E23-L36 HydrophobicContact CG-CD2 3.84Å; A24-L36 HydrophobicContact CB-CD2 4.12Å; S33-L36 WeakPolarHBondContact O-CB 3.42Å; S33-L36 PolarHBondContact O-N 3.05Å; S34-L36 PolarHBondContact O-N 2.99Å; L36-I40 HydrophobicContact CG-CD1 4.28Å; L36-I40 WeakPolarHBondContact O-CD1 3.38Å; L36-I40 VanDerWaalsContact O-CG1 3.23Å; L36-I40 WeakPolarHBondContact O-CG1 3.28Å; L36-I40 PolarHBondContact O-N 3.16Å
37M95.8Very high94.5Very high17 Ų1758.4 Ų58.48%0.08433%0.329CS..Hα-helixtrans-68.9-40.8174.5-62.8-166.8-7000111.7P32 S33 S34 T35 I40 A41 V76 L77 Y80P32-M37 HydrophobicContact CB-CG 3.85Å; P32-M37 HydrophobicContact CB-SD 3.89Å; P32-M37 HydrophobicContact CG-CE 4.25Å; P32-M37 HydrophobicContact CG-CG 4.16Å; P32-M37 HydrophobicContact CG-SD 3.49Å; P32-M37 WeakPolarHBondContact CG-SD 3.49Å; S33-M37 WeakPolarHBondContact O-CG 3.43Å; S33-M37 PolarHBondContact O-N 2.91Å; S34-M37 PolarHBondContact O-N 3.18Å; T35-M37 VanDerWaalsContact C-N 3.33Å; T35-M37 PolarHBondContact O-N 3.25Å; M37-I40 PolarHBondContact O-N 2.97Å; M37-A41 PolarHBondContact O-N 2.96Å; M37-V76 HydrophobicContact SD-CG1 4.3Å; M37-L77 HydrophobicContact CB-CD1 4.3Å; M37-L77 HydrophobicContact CG-CD1 3.99Å; M37-Y80 VanDerWaalsContact C-CE1 3.42Å; M37-Y80 HydrophobicContact CB-CD1 3.52Å; M37-Y80 HydrophobicContact CB-CD2 4.49Å; M37-Y80 HydrophobicContact CB-CE1 3.61Å; M37-Y80 HydrophobicContact CB-CG 4Å; M37-Y80 HydrophobicContact CE-CD2 4.2Å; M37-Y80 HydrophobicContact CE-CG 4.41Å; M37-Y80 WeakPolarHBondContact O-CE1 3.43Å; M37-Y80 HydrophobicContact SD-CG 4.17Å
38A95.3Very high94.6Very high13 Ų1361.6 Ų61.611%0.10734%0.343CS..Hα-helixtrans-60.8-46.3173.500000111.9S34 T35 I40 A41 D42S34-A38 PolarHBondContact O-N 3.31Å; T35-A38 PolarHBondContact O-N 3.35Å; A38-I40 PolarHBondContact O-N 3.48Å; A38-A41 WeakPolarHBondContact O-CA 3.43Å; A38-A41 WeakPolarHBondContact O-CB 3.5Å; A38-A41 PolarHBondContact O-N 3.21Å; A38-D42 PolarHBondContact O-N 3.45Å
39E96.1Very high94.9Very high73 Ų7360.7 Ų60.734%0.34134%0.34SS..Hα-helixtrans-60.9-26.8175.6-73.1174.9-154.700113.9K20 T35 K43K20-E39 HydrophobicContact CD-CB 4.28Å; K20-E39 WeakPolarHBondContact CE-OE2 3.48Å; K20-E39 IonicContact NZ-OE2 3.63Å; K20-E39 PolarHBondContact NZ-OE2 3.39Å; T35-E39 WeakPolarHBondContact O-CG 3.27Å; T35-E39 PolarHBondContact O-N 3.24Å; E39-K43 WeakPolarHBondContact O-CD 3.37Å; E39-K43 WeakPolarHBondContact O-CG 3.33Å
40I97.3Very high95.2Very high0 Ų056.5 Ų56.50%031%0.311CS..Hα-helixtrans-80-42172.3-63.4161.5000109.7K20 V21 A24 L36 M37 A38 D42 K43 T44 I53 L77 L81K20-I40 HydrophobicContact CB-CD1 4.12Å; K20-I40 HydrophobicContact CB-CG1 3.78Å; V21-I40 HydrophobicContact CG2-CD1 4.22Å; V21-I40 HydrophobicContact CG2-CG1 4.41Å; V21-I40 HydrophobicContact CG2-CG2 3.89Å; A24-I40 HydrophobicContact CB-CD1 3.86Å; L36-I40 HydrophobicContact CG-CD1 4.28Å; L36-I40 WeakPolarHBondContact O-CD1 3.38Å; L36-I40 VanDerWaalsContact O-CG1 3.23Å; L36-I40 WeakPolarHBondContact O-CG1 3.28Å; L36-I40 PolarHBondContact O-N 3.16Å; M37-I40 PolarHBondContact O-N 2.97Å; A38-I40 PolarHBondContact O-N 3.48Å; I40-D42 PolarHBondContact O-N 2.85Å; I40-K43 WeakPolarHBondContact O-CB 3.37Å; I40-K43 PolarHBondContact O-N 3.07Å; I40-K43 VanDerWaalsContact O-N 3.14Å; I40-T44 WeakPolarHBondContact O-CG2 3.41Å; I40-T44 PolarHBondContact O-N 3.45Å; I40-T44 VanDerWaalsContact O-N 3.11Å; I40-I53 HydrophobicContact CG2-CD1 3.95Å; I40-I53 HydrophobicContact CG2-CG1 4.2Å; I40-I53 HydrophobicContact CG2-CG2 3.97Å; I40-L77 HydrophobicContact CB-CD1 4.47Å; I40-L77 HydrophobicContact CD1-CD1 3.92Å; I40-L77 HydrophobicContact CD1-CD2 4.19Å; I40-L77 HydrophobicContact CG2-CD1 4.37Å; I40-L81 HydrophobicContact CB-CD2 4.39Å; I40-L81 HydrophobicContact CG2-CD1 4Å; I40-L81 HydrophobicContact CG2-CD2 3.94Å
41A96.8Very high95.5Very high0 Ų051.6 Ų51.60%030%0.3CS..Hα-helixtrans-57-47.4176.200000111.9M37 A38 K43 T44 H45 Y80 L81M37-A41 PolarHBondContact O-N 2.96Å; A38-A41 WeakPolarHBondContact O-CA 3.43Å; A38-A41 WeakPolarHBondContact O-CB 3.5Å; A38-A41 PolarHBondContact O-N 3.21Å; A41-K43 VanDerWaalsContact C-N 3.29Å; A41-K43 PolarHBondContact O-N 2.98Å; A41-T44 PolarHBondContact O-N 2.94Å; A41-T44 PolarHBondContact O-OG1 3.4Å; A41-H45 PolarHBondContact O-CE1 3.27Å; A41-H45 PolarHBondContact O-ND1 3.03Å; A41-Y80 HydrophobicContact CB-CE1 4.06Å; A41-L81 VanDerWaalsContact CA-CD2 3.41Å; A41-L81 HydrophobicContact CB-CD2 3.76Å
42D96.2Very high95.7Very high65 Ų6551.7 Ų51.735%0.34829%0.287SS..Hα-helixtrans-58.6-41.8176.3-65.4-36.8000111.4A38 I40 T44 H45 R147A38-D42 PolarHBondContact O-N 3.45Å; I40-D42 PolarHBondContact O-N 2.85Å; D42-T44 VanDerWaalsContact C-N 3.3Å; D42-T44 PolarHBondContact O-N 3.24Å; D42-H45 PolarHBondContact O-N 3.38Å; D42-H45 PolarHBondContact O-ND1 3.28Å; D42-R147 IonicContact OD1-CZ 2.83Å; D42-R147 VanDerWaalsContact OD1-CZ 3.3Å; D42-R147 IonicContact OD1-NH1 3.27Å; D42-R147 PolarHBondContact OD1-NH1 3.24Å; D42-R147 IonicContact OD1-NH2 3.13Å; D42-R147 PolarHBondContact OD1-NH2 2.78Å; D42-R147 IonicContact OD2-NH1 3.43Å
43K96.5Very high95.9Very high56 Ų5650.6 Ų50.624%0.24328%0.28CS..Hα-helixtrans-65-25.6176.5-74175-177.5-66.80114.3D16 A17 E39 I40 A41 H45 N46 A49 I53D16-K43 WeakPolarHBondContact OD2-CE 3.4Å; D16-K43 IonicContact OD2-NZ 3.24Å; D16-K43 PolarHBondContact OD2-NZ 2.81Å; A17-K43 HydrophobicContact CB-CD 4.17Å; E39-K43 WeakPolarHBondContact O-CD 3.37Å; E39-K43 WeakPolarHBondContact O-CG 3.33Å; I40-K43 WeakPolarHBondContact O-CB 3.37Å; I40-K43 PolarHBondContact O-N 3.07Å; I40-K43 VanDerWaalsContact O-N 3.14Å; A41-K43 VanDerWaalsContact C-N 3.29Å; A41-K43 PolarHBondContact O-N 2.98Å; K43-H45 PolarHBondContact O-N 3.31Å; K43-H45 VanDerWaalsContact O-N 3.14Å; K43-N46 PolarHBondContact O-N 3Å; K43-A49 HydrophobicContact CB-CB 4.36Å; K43-I53 HydrophobicContact CB-CD1 3.78Å
44T96.9Very high96Very high2 Ų247.4 Ų47.41%0.01226%0.257CS..THydrogen-bonded Turntrans-65.2-13.6177.863.80000114I40 A41 D42 N46 I53 L81 G85 S86 V89I40-T44 WeakPolarHBondContact O-CG2 3.41Å; I40-T44 PolarHBondContact O-N 3.45Å; I40-T44 VanDerWaalsContact O-N 3.11Å; A41-T44 PolarHBondContact O-N 2.94Å; A41-T44 PolarHBondContact O-OG1 3.4Å; D42-T44 VanDerWaalsContact C-N 3.3Å; D42-T44 PolarHBondContact O-N 3.24Å; T44-N46 VanDerWaalsContact C-N 3.31Å; T44-I53 HydrophobicContact CG2-CD1 3.99Å; T44-I53 HydrophobicContact CG2-CG2 4.21Å; T44-L81 HydrophobicContact CG2-CD1 4.37Å; T44-L81 HydrophobicContact CG2-CD2 4.02Å; T44-G85 WeakPolarHBondContact OG1-CA 3.09Å; T44-S86 WeakPolarHBondContact O-CB 3.3Å; T44-S86 PolarHBondContact OG1-N 2.86Å; T44-V89 HydrophobicContact CG2-CG2 4.06Å
45H95.9Very high96.1Very high104 Ų10450.2 Ų50.248%0.48126%0.263SS..THydrogen-bonded Turntrans-75.5-19.1172.7-57.491.4000113A41 D42 K43A41-H45 PolarHBondContact O-CE1 3.27Å; A41-H45 PolarHBondContact O-ND1 3.03Å; D42-H45 PolarHBondContact O-N 3.38Å; D42-H45 PolarHBondContact O-ND1 3.28Å; K43-H45 PolarHBondContact O-N 3.31Å; K43-H45 VanDerWaalsContact O-N 3.14Å
46N96.4Very high96.2Very high89 Ų8946.3 Ų46.348%0.47624%0.238SC..SBendtrans-87.3125.4172.8178.3-64.5000110.1K43 T44 M48 A49 F50K43-N46 PolarHBondContact O-N 3Å; T44-N46 VanDerWaalsContact C-N 3.31Å; N46-M48 VanDerWaalsContact C-N 3.35Å; N46-M48 PolarHBondContact O-N 3.39Å; N46-M48 PolarHBondContact OD1-N 3.03Å; N46-A49 HydrophobicContact CB-CB 4.13Å; N46-A49 PolarHBondContact O-N 3.23Å; N46-A49 PolarHBondContact OD1-N 2.91Å; N46-A49 VanDerWaalsContact OD1-N 3.14Å; N46-F50 VanDerWaalsContact O-CB 3.23Å; N46-F50 WeakPolarHBondContact O-CB 3.49Å; N46-F50 PolarHBondContact O-N 2.84Å
47V95.1Very high96.3Very high92 Ų9245 Ų4556%0.55823%0.231SC*.Hα-helixtrans-63.2-34.5-171.9-176.20000113.7T51V47-T51 PolarHBondContact O-N 3.15Å; V47-T51 PolarHBondContact O-OG1 2.75Å
48M94.8Very high96.3Very high142 Ų14246.1 Ų46.170%0.723%0.234SC*.Hα-helixtrans-71.6-53.5176.8-63.8176.367.300110.1N46 F50 T51 E52N46-M48 VanDerWaalsContact C-N 3.35Å; N46-M48 PolarHBondContact O-N 3.39Å; N46-M48 PolarHBondContact OD1-N 3.03Å; M48-F50 VanDerWaalsContact C-N 3.3Å; M48-F50 PolarHBondContact O-N 3.16Å; M48-T51 WeakPolarHBondContact O-CB 3.45Å; M48-T51 PolarHBondContact O-N 2.76Å; M48-T51 VanDerWaalsContact O-N 3.09Å; M48-E52 PolarHBondContact O-N 3.48Å
49A96.3Very high96.3Very high13 Ų1352.3 Ų52.311%0.10726%0.259CS..Hα-helixtrans-62.1-35.3-18000000112.6A17 K43 N46 T51 E52 I53A17-A49 HydrophobicContact CB-CB 3.93Å; K43-A49 HydrophobicContact CB-CB 4.36Å; N46-A49 HydrophobicContact CB-CB 4.13Å; N46-A49 PolarHBondContact O-N 3.23Å; N46-A49 PolarHBondContact OD1-N 2.91Å; N46-A49 VanDerWaalsContact OD1-N 3.14Å; A49-T51 VanDerWaalsContact C-N 3.33Å; A49-T51 PolarHBondContact O-N 3.31Å; A49-E52 PolarHBondContact O-N 2.78Å; A49-I53 HydrophobicContact CB-CD1 4.47Å; A49-I53 VanDerWaalsContact O-CB 3.3Å; A49-I53 WeakPolarHBondContact O-CB 3.42Å; A49-I53 WeakPolarHBondContact O-CD1 3.33Å; A49-I53 WeakPolarHBondContact O-CG1 3.35Å; A49-I53 PolarHBondContact O-N 2.96Å
50F97.6Very high96.3Very high22 Ų2250.3 Ų50.310%0.09625%0.248CC..Hα-helixtrans-53.7-49.5171.9171.1-95.6000111.7N46 M48 E52 I53 M54 K88 V89 Q92N46-F50 VanDerWaalsContact O-CB 3.23Å; N46-F50 WeakPolarHBondContact O-CB 3.49Å; N46-F50 PolarHBondContact O-N 2.84Å; M48-F50 VanDerWaalsContact C-N 3.3Å; M48-F50 PolarHBondContact O-N 3.16Å; F50-E52 PolarHBondContact O-N 3.08Å; F50-I53 PolarHBondContact O-N 3.14Å; F50-M54 HydrophobicContact CD2-CG 4.22Å; F50-M54 HydrophobicContact CE1-CG 4.4Å; F50-M54 HydrophobicContact CE2-CG 3.86Å; F50-M54 HydrophobicContact CZ-CG 3.96Å; F50-M54 WeakPolarHBondContact O-CB 3.29Å; F50-M54 WeakPolarHBondContact O-CG 3.48Å; F50-M54 PolarHBondContact O-N 2.89Å; F50-K88 HydrophobicContact CD2-CB 4.34Å; F50-K88 HydrophobicContact CE1-CB 4.39Å; F50-K88 HydrophobicContact CE2-CB 3.64Å; F50-K88 HydrophobicContact CZ-CB 3.68Å; F50-V89 HydrophobicContact CD2-CG2 4.27Å; F50-V89 HydrophobicContact CE2-CG2 3.79Å; F50-Q92 HydrophobicContact CZ-CB 4.48Å
51T96.2Very high96.2Very high65 Ų6550.7 Ų50.740%0.39925%0.25SS..Hα-helixtrans-62.6-45.9-178.4-54.10000110.9V47 M48 A49 Q55V47-T51 PolarHBondContact O-N 3.15Å; V47-T51 PolarHBondContact O-OG1 2.75Å; M48-T51 WeakPolarHBondContact O-CB 3.45Å; M48-T51 PolarHBondContact O-N 2.76Å; M48-T51 VanDerWaalsContact O-N 3.09Å; A49-T51 VanDerWaalsContact C-N 3.33Å; A49-T51 PolarHBondContact O-N 3.31Å; T51-Q55 WeakPolarHBondContact O-CB 3.29Å; T51-Q55 VanDerWaalsContact O-CG 3.25Å; T51-Q55 WeakPolarHBondContact O-CG 3.46Å; T51-Q55 PolarHBondContact O-N 3.41Å
52E96.2Very high96.1Very high50 Ų5057.7 Ų57.723%0.23429%0.288CS..Hα-helixtrans-61.3-45.6175.8-65.6167.4-165.100112.6T15 E18 M48 A49 F50 M56T15-E52 VanDerWaalsContact CB-OE2 3.29Å; T15-E52 WeakPolarHBondContact CB-OE2 3.33Å; T15-E52 VanDerWaalsContact CG2-OE2 3.3Å; T15-E52 WeakPolarHBondContact CG2-OE2 3.3Å; T15-E52 PolarHBondContact OG1-OE2 2.68Å; E18-E52 HydrophobicContact CG-CB 4.02Å; M48-E52 PolarHBondContact O-N 3.48Å; A49-E52 PolarHBondContact O-N 2.78Å; F50-E52 PolarHBondContact O-N 3.08Å; E52-M56 VanDerWaalsContact O-CB 3.28Å; E52-M56 WeakPolarHBondContact O-CB 3.36Å; E52-M56 PolarHBondContact O-N 3.26Å
53I97.5Very high95.9Very high0 Ų056.7 Ų56.70%028%0.282CS..Hα-helixtrans-59.9-51.9179-74.5162.5000110.1A17 V21 I40 K43 T44 A49 F50 M56 I57 L81A17-I53 HydrophobicContact CB-CD1 4.23Å; A17-I53 HydrophobicContact CB-CG1 4Å; V21-I53 HydrophobicContact CG2-CB 4.1Å; V21-I53 HydrophobicContact CG2-CG1 3.78Å; V21-I53 HydrophobicContact CG2-CG2 3.88Å; I40-I53 HydrophobicContact CG2-CD1 3.95Å; I40-I53 HydrophobicContact CG2-CG1 4.2Å; I40-I53 HydrophobicContact CG2-CG2 3.97Å; K43-I53 HydrophobicContact CB-CD1 3.78Å; T44-I53 HydrophobicContact CG2-CD1 3.99Å; T44-I53 HydrophobicContact CG2-CG2 4.21Å; A49-I53 HydrophobicContact CB-CD1 4.47Å; A49-I53 VanDerWaalsContact O-CB 3.3Å; A49-I53 WeakPolarHBondContact O-CB 3.42Å; A49-I53 WeakPolarHBondContact O-CD1 3.33Å; A49-I53 WeakPolarHBondContact O-CG1 3.35Å; A49-I53 PolarHBondContact O-N 2.96Å; F50-I53 PolarHBondContact O-N 3.14Å; I53-M56 PolarHBondContact O-N 3.08Å; I53-I57 HydrophobicContact CG2-CD1 3.79Å; I53-I57 WeakPolarHBondContact O-CG1 3.32Å; I53-I57 PolarHBondContact O-N 2.91Å; I53-L81 HydrophobicContact CG2-CD1 4.01Å
54M96.3Very high95.5Very high1 Ų161.9 Ų61.91%0.00531%0.305CS..Hα-helixtrans-68.7-42.7-175.1-66.5-62.4-7300111.6F50 M56 I57 W58 L78 V89 Q92F50-M54 HydrophobicContact CD2-CG 4.22Å; F50-M54 HydrophobicContact CE1-CG 4.4Å; F50-M54 HydrophobicContact CE2-CG 3.86Å; F50-M54 HydrophobicContact CZ-CG 3.96Å; F50-M54 WeakPolarHBondContact O-CB 3.29Å; F50-M54 WeakPolarHBondContact O-CG 3.48Å; F50-M54 PolarHBondContact O-N 2.89Å; M54-M56 VanDerWaalsContact C-N 3.31Å; M54-M56 PolarHBondContact O-N 3.15Å; M54-I57 PolarHBondContact O-N 2.81Å; M54-I57 VanDerWaalsContact O-N 3.17Å; M54-I57 HydrophobicContact SD-CD1 4.36Å; M54-W58 PolarHBondContact O-N 2.8Å; M54-L78 HydrophobicContact CE-CD1 4.06Å; M54-L78 HydrophobicContact SD-CD1 4.23Å; M54-V89 HydrophobicContact CE-CG1 4.22Å; M54-V89 HydrophobicContact SD-CG1 4.15Å; M54-V89 HydrophobicContact SD-CG2 4.4Å; M54-Q92 VanDerWaalsContact CB-OE1 3.32Å; M54-Q92 HydrophobicContact CE-CB 4.14Å; M54-Q92 HydrophobicContact CE-CG 4.19Å; M54-Q92 VanDerWaalsContact CG-OE1 3.29Å
55Q96.1Very high95.1Very high130 Ų13065 Ų6561%0.60733%0.327SS*.Hα-helixtrans-58.3-42.3172.9-73.9178.97.800112.2T51 K59T51-Q55 WeakPolarHBondContact O-CB 3.29Å; T51-Q55 VanDerWaalsContact O-CG 3.25Å; T51-Q55 WeakPolarHBondContact O-CG 3.46Å; T51-Q55 PolarHBondContact O-N 3.41Å; Q55-K59 VanDerWaalsContact O-CB 3.31Å; Q55-K59 WeakPolarHBondContact O-CB 3.3Å; Q55-K59 PolarHBondContact O-N 2.83Å; Q55-K59 VanDerWaalsContact O-N 3.09Å
56M95.4Very high94.8Very high10 Ų1067.9 Ų67.95%0.04934%0.338CS..Hα-helixtrans-68.1-33.8177.3-169.562.256.800112.2Y14 E18 V21 R22 E52 I53 M54 R60Y14-M56 HydrophobicContact CD1-CE 4.35Å; Y14-M56 HydrophobicContact CE1-CE 4.17Å; E18-M56 HydrophobicContact CB-CE 4.11Å; E18-M56 HydrophobicContact CG-CE 3.98Å; E18-M56 WeakPolarHBondContact OE1-CE 3.43Å; V21-M56 HydrophobicContact CB-CB 4.42Å; V21-M56 HydrophobicContact CB-CG 4.11Å; V21-M56 HydrophobicContact CG1-CB 3.91Å; V21-M56 HydrophobicContact CG1-CG 3.64Å; R22-M56 HydrophobicContact CG-CE 4.36Å; R22-M56 HydrophobicContact CG-CG 3.96Å; R22-M56 HydrophobicContact CG-SD 3.64Å; E52-M56 VanDerWaalsContact O-CB 3.28Å; E52-M56 WeakPolarHBondContact O-CB 3.36Å; E52-M56 PolarHBondContact O-N 3.26Å; I53-M56 PolarHBondContact O-N 3.08Å; M54-M56 VanDerWaalsContact C-N 3.31Å; M54-M56 PolarHBondContact O-N 3.15Å; M56-R60 WeakPolarHBondContact O-CG 3.48Å; M56-R60 PolarHBondContact O-N 3.38Å
57I97.4Very high94.7Very high0 Ų065.9 Ų65.90%033%0.327CS..Hα-helixtrans-68.2-50.6174.5-70.1168.4000111.2V21 I53 M54 K59 R60 L61 A74 L77 L78 L81V21-I57 HydrophobicContact CG1-CG1 3.82Å; I53-I57 HydrophobicContact CG2-CD1 3.79Å; I53-I57 WeakPolarHBondContact O-CG1 3.32Å; I53-I57 PolarHBondContact O-N 2.91Å; M54-I57 PolarHBondContact O-N 2.81Å; M54-I57 VanDerWaalsContact O-N 3.17Å; M54-I57 HydrophobicContact SD-CD1 4.36Å; I57-K59 VanDerWaalsContact C-N 3.25Å; I57-K59 PolarHBondContact O-N 3.09Å; I57-R60 WeakPolarHBondContact O-CA 3.5Å; I57-R60 WeakPolarHBondContact O-CB 3Å; I57-R60 PolarHBondContact O-N 3.28Å; I57-L61 HydrophobicContact CG2-CD1 3.91Å; I57-L61 HydrophobicContact CG2-CG 4.29Å; I57-L61 PolarHBondContact O-N 3.12Å; I57-A74 HydrophobicContact CG2-CB 4.48Å; I57-L77 HydrophobicContact CD1-CD2 3.9Å; I57-L77 HydrophobicContact CD1-CG 4.23Å; I57-L77 HydrophobicContact CG1-CD2 4.05Å; I57-L78 HydrophobicContact CD1-CD1 4.43Å; I57-L78 HydrophobicContact CG2-CB 4.37Å; I57-L78 HydrophobicContact CG2-CD1 4.23Å; I57-L78 HydrophobicContact CG2-CD2 4.32Å; I57-L81 HydrophobicContact CD1-CD1 3.58Å
58W96.5Very high94.6Very high42 Ų4262.8 Ų62.816%0.15931%0.306CS..Hα-helixtrans-58.3-38.7178.5-67.1120.8000112.1M54 R60 L61 N62 N96 I100M54-W58 PolarHBondContact O-N 2.8Å; W58-R60 PolarHBondContact O-N 3.23Å; W58-L61 HydrophobicContact CD2-CD1 4.4Å; W58-L61 HydrophobicContact CE3-CD1 3.56Å; W58-L61 HydrophobicContact CZ3-CD1 3.72Å; W58-L61 PolarHBondContact O-N 3.11Å; W58-N62 PolarHBondContact O-N 3.3Å; W58-N62 VanDerWaalsContact O-N 3.13Å; W58-N96 HydrophobicContact CH2-CB 3.68Å; W58-N96 HydrophobicContact CZ2-CB 3.62Å; W58-N96 HydrophobicContact CZ3-CB 4.43Å; W58-I100 HydrophobicContact CH2-CD1 4.06Å; W58-I100 HydrophobicContact CH2-CG1 3.95Å; W58-I100 HydrophobicContact CZ3-CG1 3.97Å
59K95.4Very high94.7Very high142 Ų14258.6 Ų58.662%0.61728%0.282SS*.Hα-helixtrans-63.7-21.5173.3-173.6169.4-175166.80114.4Q55 I57Q55-K59 VanDerWaalsContact O-CB 3.31Å; Q55-K59 WeakPolarHBondContact O-CB 3.3Å; Q55-K59 PolarHBondContact O-N 2.83Å; Q55-K59 VanDerWaalsContact O-N 3.09Å; I57-K59 VanDerWaalsContact C-N 3.25Å; I57-K59 PolarHBondContact O-N 3.09Å
60R95.2Very high94.6Very high31 Ų3159 Ų5912%0.11728%0.282CS..Hα-helixtrans-94.5-27.4176.9-68.7-67.5-145.5158.718.2113.4R22 T25 M56 I57 W58 H70 A74R22-R60 PolarHBondContact O-NH2 3.45Å; T25-R60 HydrophobicContact CG2-CB 4.35Å; T25-R60 HydrophobicContact CG2-CG 4.2Å; T25-R60 PolarHBondContact O-NH2 3.21Å; T25-R60 PolarHBondContact OG1-NE 2.9Å; T25-R60 PolarHBondContact OG1-NH2 3.46Å; M56-R60 WeakPolarHBondContact O-CG 3.48Å; M56-R60 PolarHBondContact O-N 3.38Å; I57-R60 WeakPolarHBondContact O-CA 3.5Å; I57-R60 WeakPolarHBondContact O-CB 3Å; I57-R60 PolarHBondContact O-N 3.28Å; W58-R60 PolarHBondContact O-N 3.23Å; R60-H70 PolarHBondContact NH1-CD2 3.17Å; R60-H70 PolarHBondContact NH1-CE1 2.86Å; R60-H70 VanDerWaalsContact NH1-CG 3.31Å; R60-H70 PolarHBondContact NH1-ND1 3.48Å; R60-H70 VanDerWaalsContact NH1-ND1 3.17Å; R60-H70 PolarHBondContact NH1-NE2 3.38Å; R60-A74 HydrophobicContact CB-CB 3.83Å
61L95.7Very high94.6Very high8 Ų858 Ų584%0.04228%0.277CS..Hα-helixtrans-68.4-39.5171.4-68.9170.4000110.9I57 W58 D63 V71 A74 L75 L78 L103I57-L61 HydrophobicContact CG2-CD1 3.91Å; I57-L61 HydrophobicContact CG2-CG 4.29Å; I57-L61 PolarHBondContact O-N 3.12Å; W58-L61 HydrophobicContact CD2-CD1 4.4Å; W58-L61 HydrophobicContact CE3-CD1 3.56Å; W58-L61 HydrophobicContact CZ3-CD1 3.72Å; W58-L61 PolarHBondContact O-N 3.11Å; L61-D63 VanDerWaalsContact C-N 3.28Å; L61-D63 PolarHBondContact O-N 2.93Å; L61-V71 HydrophobicContact CD2-CG1 4.49Å; L61-A74 HydrophobicContact CD2-CB 3.69Å; L61-A74 HydrophobicContact CG-CB 3.92Å; L61-L75 HydrophobicContact CD2-CD2 3.7Å; L61-L75 HydrophobicContact CD2-CG 3.66Å; L61-L78 HydrophobicContact CD1-CD2 4.02Å; L61-L103 HydrophobicContact CB-CD1 4.27Å; L61-L103 HydrophobicContact CD2-CD1 3.79Å
62N93.8Very high94.6Very high148 Ų14858.3 Ų58.379%0.79127%0.272SS*.THydrogen-bonded Turntrans-89.938.7175.7-162.532000113.5W58W58-N62 PolarHBondContact O-N 3.3Å; W58-N62 VanDerWaalsContact O-N 3.13Å
63D91.8Very high94.6Very high43 Ų4356.3 Ų56.323%0.2326%0.262CS..SBendtrans-88163.3170.3-156.2-22.3000110.4L61 N67 H70 V71L61-D63 VanDerWaalsContact C-N 3.28Å; L61-D63 PolarHBondContact O-N 2.93Å; D63-N67 HydrophobicContact CB-CB 4.33Å; D63-N67 PolarHBondContact OD1-ND2 3.47Å; D63-N67 PolarHBondContact OD2-ND2 2.85Å; D63-H70 HydrophobicContact CB-CB 4.45Å; D63-H70 IonicContact OD2-CE1 2.98Å; D63-H70 IonicContact OD2-CG 2.77Å; D63-H70 IonicContact OD2-ND1 2.84Å; D63-H70 PolarHBondContact OD2-ND1 3.13Å; D63-V71 HydrophobicContact CB-CG2 4.36Å
64K89.3Confident94.6Very high165 Ų16556.3 Ų56.372%0.71726%0.262SS*.  trans-60.9148-177.7-59.7-174.1178.7-1720111K66 N67K64-K66 PolarHBondContact O-N 3.21Å; K64-K66 VanDerWaalsContact O-N 3.09Å; K64-N67 WeakPolarHBondContact O-CA 3.45Å; K64-N67 WeakPolarHBondContact O-CB 3.42Å; K64-N67 PolarHBondContact O-N 3.12Å
65S87.9Confident94.7Very high68 Ų6856.2 Ų56.248%0.47626%0.262SS..G310 helixtrans-52.1-37.4179.855.30000114.1N67 W68 C108S65-N67 PolarHBondContact O-N 3.08Å; S65-W68 PolarHBondContact O-N 3Å; S65-W68 VanDerWaalsContact O-N 3.16Å; S65-C108 PolarHBondContact O-SG 3.03Å
66K90.7Very high94.7Very high164 Ų16451.4 Ų51.471%0.71324%0.241SC*.G310 helixtrans-57.6-28.3173.2-176.2167.8-177.1169.10113.9K64 W68K64-K66 PolarHBondContact O-N 3.21Å; K64-K66 VanDerWaalsContact O-N 3.09Å; K66-W68 VanDerWaalsContact C-N 3.25Å; K66-W68 PolarHBondContact O-N 3.5Å
67N92.9Very high94.8Very high48 Ų4850.9 Ų50.926%0.25724%0.239SC..G310 helixtrans-90.634.1177.6-66.3-19.7000111.9D63 K64 S65 R69 H70D63-N67 HydrophobicContact CB-CB 4.33Å; D63-N67 PolarHBondContact OD1-ND2 3.47Å; D63-N67 PolarHBondContact OD2-ND2 2.85Å; K64-N67 WeakPolarHBondContact O-CA 3.45Å; K64-N67 WeakPolarHBondContact O-CB 3.42Å; K64-N67 PolarHBondContact O-N 3.12Å; S65-N67 PolarHBondContact O-N 3.08Å; N67-R69 PolarHBondContact O-N 2.86Å; N67-H70 WeakPolarHBondContact O-CB 3.47Å; N67-H70 PolarHBondContact O-N 2.84Å
68W94.3Very high94.8Very high27 Ų2750.9 Ų50.910%0.10224%0.239CC..Hα-helixtrans-49.2-31.2-176.670.4-97.4000114.3S65 K66 H70 V71 Y72 F106 C108 E110 R115S65-W68 PolarHBondContact O-N 3Å; S65-W68 VanDerWaalsContact O-N 3.16Å; K66-W68 VanDerWaalsContact C-N 3.25Å; K66-W68 PolarHBondContact O-N 3.5Å; W68-H70 VanDerWaalsContact C-N 3.34Å; W68-H70 PolarHBondContact O-N 3.06Å; W68-V71 PolarHBondContact O-N 2.88Å; W68-Y72 VanDerWaalsContact O-CB 3.3Å; W68-Y72 WeakPolarHBondContact O-CB 3.45Å; W68-Y72 PolarHBondContact O-N 2.88Å; W68-F106 HydrophobicContact CB-CE1 3.84Å; W68-F106 HydrophobicContact CB-CZ 3.98Å; W68-C108 HydrophobicContact CB-CB 4.31Å; W68-E110 PolarHBondContact NE1-OE2 3.41Å; W68-R115 HydrophobicContact CD2-CB 3.7Å; W68-R115 HydrophobicContact CD2-CG 4.39Å; W68-R115 HydrophobicContact CE3-CB 4.27Å; W68-R115 HydrophobicContact CG-CB 3.91Å; W68-R115 HydrophobicContact CZ2-CB 4.04Å; W68-R115 HydrophobicContact CZ2-CG 4.01Å
69R95.6Very high94.8Very high53 Ų5350 Ų5020%0.224%0.236CC..Hα-helixtrans-62.9-36.1176.3-60.6175.4179.377.45.5112.4N27 N67 K73 E110N27-R69 WeakPolarHBondContact O-CD 3.06Å; N27-R69 WeakPolarHBondContact OD1-CB 3.37Å; N67-R69 PolarHBondContact O-N 2.86Å; R69-K73 VanDerWaalsContact O-CB 3.24Å; R69-K73 WeakPolarHBondContact O-CB 3.39Å; R69-K73 WeakPolarHBondContact O-CD 3.36Å; R69-K73 VanDerWaalsContact O-CG 3.26Å; R69-K73 WeakPolarHBondContact O-CG 3.45Å; R69-K73 PolarHBondContact O-N 2.88Å; R69-E110 IonicContact CZ-OE1 2.95Å; R69-E110 IonicContact CZ-OE2 3.47Å; R69-E110 IonicContact NH1-OE1 3.69Å; R69-E110 PolarHBondContact NH1-OE1 3.49Å; R69-E110 IonicContact NH1-OE2 3.19Å; R69-E110 PolarHBondContact NH1-OE2 3.41Å; R69-E110 IonicContact NH2-OE1 3.86Å; R69-E110 PolarHBondContact NH2-OE1 3.4Å; R69-E110 IonicContact NH2-OE2 2.64Å; R69-E110 PolarHBondContact NH2-OE2 2.89Å
70H96Very high94.9Very high23 Ų2345.6 Ų45.611%0.10622%0.216CC..Hα-helixtrans-66.1-47.3174-66.6160.8000111.2T25 N27 R60 D63 N67 W68 A74T25-H70 PolarHBondContact O-CD2 3.43Å; N27-H70 WeakPolarHBondContact CB-NE2 3.2Å; N27-H70 PolarHBondContact N-CD2 3.35Å; N27-H70 PolarHBondContact N-NE2 2.98Å; R60-H70 PolarHBondContact NH1-CD2 3.17Å; R60-H70 PolarHBondContact NH1-CE1 2.86Å; R60-H70 VanDerWaalsContact NH1-CG 3.31Å; R60-H70 PolarHBondContact NH1-ND1 3.48Å; R60-H70 VanDerWaalsContact NH1-ND1 3.17Å; R60-H70 PolarHBondContact NH1-NE2 3.38Å; D63-H70 HydrophobicContact CB-CB 4.45Å; D63-H70 IonicContact OD2-CE1 2.98Å; D63-H70 IonicContact OD2-CG 2.77Å; D63-H70 IonicContact OD2-ND1 2.84Å; D63-H70 PolarHBondContact OD2-ND1 3.13Å; N67-H70 WeakPolarHBondContact O-CB 3.47Å; N67-H70 PolarHBondContact O-N 2.84Å; W68-H70 VanDerWaalsContact C-N 3.34Å; W68-H70 PolarHBondContact O-N 3.06Å; H70-A74 VanDerWaalsContact O-CB 3.22Å; H70-A74 WeakPolarHBondContact O-CB 3.39Å; H70-A74 PolarHBondContact O-N 2.88Å
71V96Very high94.9Very high0 Ų044.1 Ų44.10%021%0.211CC..Hα-helixtrans-63.1-49179.7-174.90000110.5L61 D63 W68 A74 L75 L103 F106 V119L61-V71 HydrophobicContact CD2-CG1 4.49Å; D63-V71 HydrophobicContact CB-CG2 4.36Å; W68-V71 PolarHBondContact O-N 2.88Å; V71-A74 PolarHBondContact O-N 2.7Å; V71-L75 PolarHBondContact O-N 3.25Å; V71-L103 HydrophobicContact CG1-CD1 3.9Å; V71-L103 HydrophobicContact CG1-CD2 3.88Å; V71-F106 HydrophobicContact CB-CE2 4.45Å; V71-F106 HydrophobicContact CG1-CE2 4.3Å; V71-F106 HydrophobicContact CG2-CE2 4.05Å; V71-F106 HydrophobicContact CG2-CZ 4.27Å; V71-V119 HydrophobicContact CG1-CG1 3.81Å
72Y96.6Very high95Very high72 Ų7243.9 Ų43.928%0.28221%0.21SC..Hα-helixtrans-59.4-49.3177.3-176.7-103.8000112.2W68 A74 L75 V76 N118 V119 K122W68-Y72 VanDerWaalsContact O-CB 3.3Å; W68-Y72 WeakPolarHBondContact O-CB 3.45Å; W68-Y72 PolarHBondContact O-N 2.88Å; Y72-A74 VanDerWaalsContact C-N 3.29Å; Y72-A74 PolarHBondContact O-N 3.37Å; Y72-L75 PolarHBondContact O-N 3.13Å; Y72-V76 HydrophobicContact CD1-CG2 4.19Å; Y72-V76 HydrophobicContact CE1-CG2 3.81Å; Y72-V76 HydrophobicContact CE2-CG2 4.46Å; Y72-V76 WeakPolarHBondContact O-CG2 3.3Å; Y72-V76 PolarHBondContact O-N 2.76Å; Y72-N118 HydrophobicContact CD2-CB 4.09Å; Y72-N118 HydrophobicContact CE2-CB 3.89Å; Y72-N118 WeakPolarHBondContact CE2-O 3.5Å; Y72-V119 HydrophobicContact CD2-CG2 4.44Å; Y72-K122 HydrophobicContact CD2-CB 4.45Å; Y72-K122 HydrophobicContact CE2-CB 4.11Å; Y72-K122 HydrophobicContact CE2-CG 4.4Å
73K97.2Very high95Very high7 Ų738.1 Ų38.13%0.0318%0.177CC..Hα-helixtrans-71.3-24.2-179.2-68.516861172.60112.5A24 S26 D28 W30 R69 L77A24-K73 WeakPolarHBondContact O-CB 3.48Å; A24-K73 WeakPolarHBondContact O-CE 3.32Å; S26-K73 WeakPolarHBondContact O-CD 3.49Å; S26-K73 VanDerWaalsContact O-CE 3.23Å; S26-K73 WeakPolarHBondContact O-CE 3.46Å; S26-K73 PolarHBondContact O-NZ 2.87Å; S26-K73 PolarHBondContact OG-NZ 2.74Å; D28-K73 PolarHBondContact O-NZ 3.44Å; W30-K73 VanDerWaalsContact O-CE 3.29Å; W30-K73 WeakPolarHBondContact O-CE 3.39Å; W30-K73 PolarHBondContact O-NZ 2.99Å; R69-K73 VanDerWaalsContact O-CB 3.24Å; R69-K73 WeakPolarHBondContact O-CB 3.39Å; R69-K73 WeakPolarHBondContact O-CD 3.36Å; R69-K73 VanDerWaalsContact O-CG 3.26Å; R69-K73 WeakPolarHBondContact O-CG 3.45Å; R69-K73 PolarHBondContact O-N 2.88Å; K73-L77 WeakPolarHBondContact O-CB 3.26Å; K73-L77 PolarHBondContact O-N 3.25Å
74A97.4Very high95.2Very high0 Ų036.1 Ų36.10%017%0.167CC..Hα-helixtrans-70.3-41.8168.600000112.1T25 I57 R60 L61 H70 V71 Y72 L77 L78T25-A74 HydrophobicContact CG2-CB 4Å; I57-A74 HydrophobicContact CG2-CB 4.48Å; R60-A74 HydrophobicContact CB-CB 3.83Å; L61-A74 HydrophobicContact CD2-CB 3.69Å; L61-A74 HydrophobicContact CG-CB 3.92Å; H70-A74 VanDerWaalsContact O-CB 3.22Å; H70-A74 WeakPolarHBondContact O-CB 3.39Å; H70-A74 PolarHBondContact O-N 2.88Å; V71-A74 PolarHBondContact O-N 2.7Å; Y72-A74 VanDerWaalsContact C-N 3.29Å; Y72-A74 PolarHBondContact O-N 3.37Å; A74-L77 PolarHBondContact O-N 3.17Å; A74-L78 VanDerWaalsContact O-CB 3.28Å; A74-L78 WeakPolarHBondContact O-CB 3.47Å; A74-L78 PolarHBondContact O-N 2.68Å
75L97.1Very high95.5Very high0 Ų028.3 Ų28.30%013%0.133CC..Hα-helixtrans-62.8-43.2172.4-72.3171.6000112.3L61 V71 Y72 L78 E79 I100 L103 V119 K122 A123 L126L61-L75 HydrophobicContact CD2-CD2 3.7Å; L61-L75 HydrophobicContact CD2-CG 3.66Å; V71-L75 PolarHBondContact O-N 3.25Å; Y72-L75 PolarHBondContact O-N 3.13Å; L75-L78 PolarHBondContact O-N 2.61Å; L75-E79 PolarHBondContact O-N 3.26Å; L75-I100 HydrophobicContact CD2-CG2 4.2Å; L75-L103 HydrophobicContact CD1-CD1 4.27Å; L75-L103 HydrophobicContact CD2-CD1 4.05Å; L75-L103 HydrophobicContact CG-CD1 4.32Å; L75-V119 HydrophobicContact CD1-CG1 3.88Å; L75-K122 HydrophobicContact CB-CG 4.02Å; L75-K122 HydrophobicContact CD1-CB 4.38Å; L75-A123 HydrophobicContact CD1-CB 4.03Å; L75-L126 HydrophobicContact CD2-CD2 4.03Å
76V97Very high95.9Very high28 Ų2825.7 Ų25.717%0.1712%0.115CC..Hα-helixtrans-59.7-46.3175.8170.70000111.2P32 M37 Y72 Y80P32-V76 HydrophobicContact CG-CG1 3.81Å; M37-V76 HydrophobicContact SD-CG1 4.3Å; Y72-V76 HydrophobicContact CD1-CG2 4.19Å; Y72-V76 HydrophobicContact CE1-CG2 3.81Å; Y72-V76 HydrophobicContact CE2-CG2 4.46Å; Y72-V76 WeakPolarHBondContact O-CG2 3.3Å; Y72-V76 PolarHBondContact O-N 2.76Å; V76-Y80 PolarHBondContact O-N 3.26Å
77L97.6Very high96Very high0 Ų022.3 Ų22.30%010%0.104CC..Hα-helixtrans-63.9-44.1175.7178.664000111.4V21 A24 T25 M37 I40 I57 K73 A74 E79 Y80 L81V21-L77 HydrophobicContact CG1-CD2 4.07Å; V21-L77 HydrophobicContact CG2-CD2 4.38Å; A24-L77 HydrophobicContact CB-CD1 4.34Å; A24-L77 HydrophobicContact CB-CD2 4Å; T25-L77 HydrophobicContact CG2-CD2 4.36Å; M37-L77 HydrophobicContact CB-CD1 4.3Å; M37-L77 HydrophobicContact CG-CD1 3.99Å; I40-L77 HydrophobicContact CB-CD1 4.47Å; I40-L77 HydrophobicContact CD1-CD1 3.92Å; I40-L77 HydrophobicContact CD1-CD2 4.19Å; I40-L77 HydrophobicContact CG2-CD1 4.37Å; I57-L77 HydrophobicContact CD1-CD2 3.9Å; I57-L77 HydrophobicContact CD1-CG 4.23Å; I57-L77 HydrophobicContact CG1-CD2 4.05Å; K73-L77 WeakPolarHBondContact O-CB 3.26Å; K73-L77 PolarHBondContact O-N 3.25Å; A74-L77 PolarHBondContact O-N 3.17Å; L77-E79 PolarHBondContact O-N 2.75Å; L77-Y80 PolarHBondContact O-N 3.19Å; L77-L81 HydrophobicContact CD1-CD1 4.1Å; L77-L81 HydrophobicContact CD1-CD2 4.48Å; L77-L81 HydrophobicContact CD1-CG 4.08Å; L77-L81 HydrophobicContact CD2-CD1 4.47Å; L77-L81 HydrophobicContact CG-CD1 3.9Å; L77-L81 HydrophobicContact CG-CG 4.26Å; L77-L81 VanDerWaalsContact O-CG 3.29Å; L77-L81 WeakPolarHBondContact O-CG 3.29Å; L77-L81 PolarHBondContact O-N 3.38Å
78L97.2Very high96.2Very high0 Ų025.2 Ų25.20%012%0.115CC..Hα-helixtrans-63.5-43.6-176.4-168.956.7000112M54 I57 L61 A74 L75 Y80 L81 S82 V89 C93 I100 L126M54-L78 HydrophobicContact CE-CD1 4.06Å; M54-L78 HydrophobicContact SD-CD1 4.23Å; I57-L78 HydrophobicContact CD1-CD1 4.43Å; I57-L78 HydrophobicContact CG2-CB 4.37Å; I57-L78 HydrophobicContact CG2-CD1 4.23Å; I57-L78 HydrophobicContact CG2-CD2 4.32Å; L61-L78 HydrophobicContact CD1-CD2 4.02Å; A74-L78 VanDerWaalsContact O-CB 3.28Å; A74-L78 WeakPolarHBondContact O-CB 3.47Å; A74-L78 PolarHBondContact O-N 2.68Å; L75-L78 PolarHBondContact O-N 2.61Å; L78-Y80 PolarHBondContact O-N 2.84Å; L78-L81 PolarHBondContact O-N 2.9Å; L78-S82 PolarHBondContact O-N 3.48Å; L78-S82 PolarHBondContact O-OG 3.07Å; L78-S82 VanDerWaalsContact O-OG 3.12Å; L78-V89 HydrophobicContact CD1-CG1 4.12Å; L78-C93 WeakPolarHBondContact CD1-SG 3.5Å; L78-I100 HydrophobicContact CD2-CD1 3.99Å; L78-L126 HydrophobicContact CB-CD2 4.22Å; L78-L126 HydrophobicContact CD2-CD2 4.15Å; L78-L126 HydrophobicContact CG-CD2 4.2Å
79E96.4Very high96.3Very high23 Ų2324 Ų2411%0.10711%0.11CC..Hα-helixtrans-60.2-43.6173.7-174.7-172.8110.400112.3L75 L77 L81 S82 K83 K122 H125 L126L75-E79 PolarHBondContact O-N 3.26Å; L77-E79 PolarHBondContact O-N 2.75Å; E79-L81 VanDerWaalsContact C-N 3.31Å; E79-L81 PolarHBondContact O-N 3.19Å; E79-S82 PolarHBondContact O-N 3.04Å; E79-K83 WeakPolarHBondContact O-CG 3.38Å; E79-K83 PolarHBondContact O-N 2.96Å; E79-K83 VanDerWaalsContact O-N 3.11Å; E79-K83 IonicContact OE1-NZ 2.75Å; E79-K122 IonicContact OE1-NZ 3.8Å; E79-K122 PolarHBondContact OE1-NZ 3.12Å; E79-K122 WeakPolarHBondContact OE2-CD 3.35Å; E79-K122 WeakPolarHBondContact OE2-CE 3.33Å; E79-K122 IonicContact OE2-NZ 3.59Å; E79-K122 PolarHBondContact OE2-NZ 3.11Å; E79-H125 IonicContact OE2-CD2 3.42Å; E79-H125 PolarHBondContact OE2-CD2 3.02Å; E79-H125 VanDerWaalsContact OE2-CD2 3.24Å; E79-H125 IonicContact OE2-NE2 3.37Å; E79-L126 HydrophobicContact CB-CD1 3.95Å; E79-L126 HydrophobicContact CG-CD1 4.2Å
80Y96.6Very high96.3Very high50 Ų5021.9 Ų21.920%0.19610%0.104CC..Hα-helixtrans-62.6-38.9176.7-176.3-89.1000111.8M37 A41 V76 L77 L78 K83 T84M37-Y80 VanDerWaalsContact C-CE1 3.42Å; M37-Y80 HydrophobicContact CB-CD1 3.52Å; M37-Y80 HydrophobicContact CB-CD2 4.49Å; M37-Y80 HydrophobicContact CB-CE1 3.61Å; M37-Y80 HydrophobicContact CB-CG 4Å; M37-Y80 HydrophobicContact CE-CD2 4.2Å; M37-Y80 HydrophobicContact CE-CG 4.41Å; M37-Y80 WeakPolarHBondContact O-CE1 3.43Å; M37-Y80 HydrophobicContact SD-CG 4.17Å; A41-Y80 HydrophobicContact CB-CE1 4.06Å; V76-Y80 PolarHBondContact O-N 3.26Å; L77-Y80 PolarHBondContact O-N 3.19Å; L78-Y80 PolarHBondContact O-N 2.84Å; Y80-K83 PolarHBondContact O-N 3.04Å; Y80-T84 VanDerWaalsContact CD1-OG1 3.29Å; Y80-T84 WeakPolarHBondContact CD1-OG1 3.48Å; Y80-T84 HydrophobicContact CE1-CG2 4.36Å; Y80-T84 WeakPolarHBondContact CE1-OG1 3.37Å; Y80-T84 HydrophobicContact CE2-CG2 4.13Å; Y80-T84 PolarHBondContact O-N 3.46Å; Y80-T84 PolarHBondContact O-OG1 3.01Å
81L97Very high96.2Very high0 Ų023.7 Ų23.70%012%0.117CC..Hα-helixtrans-72.1-36.6177-65.6177.6000112.6I40 A41 T44 I53 I57 L77 L78 E79 K83 G85 V89I40-L81 HydrophobicContact CB-CD2 4.39Å; I40-L81 HydrophobicContact CG2-CD1 4Å; I40-L81 HydrophobicContact CG2-CD2 3.94Å; A41-L81 VanDerWaalsContact CA-CD2 3.41Å; A41-L81 HydrophobicContact CB-CD2 3.76Å; T44-L81 HydrophobicContact CG2-CD1 4.37Å; T44-L81 HydrophobicContact CG2-CD2 4.02Å; I53-L81 HydrophobicContact CG2-CD1 4.01Å; I57-L81 HydrophobicContact CD1-CD1 3.58Å; L77-L81 HydrophobicContact CD1-CD1 4.1Å; L77-L81 HydrophobicContact CD1-CD2 4.48Å; L77-L81 HydrophobicContact CD1-CG 4.08Å; L77-L81 HydrophobicContact CD2-CD1 4.47Å; L77-L81 HydrophobicContact CG-CD1 3.9Å; L77-L81 HydrophobicContact CG-CG 4.26Å; L77-L81 VanDerWaalsContact O-CG 3.29Å; L77-L81 WeakPolarHBondContact O-CG 3.29Å; L77-L81 PolarHBondContact O-N 3.38Å; L78-L81 PolarHBondContact O-N 2.9Å; E79-L81 VanDerWaalsContact C-N 3.31Å; E79-L81 PolarHBondContact O-N 3.19Å; L81-K83 VanDerWaalsContact C-N 3.26Å; L81-K83 PolarHBondContact O-N 3.47Å; L81-G85 VanDerWaalsContact O-CA 3.31Å; L81-G85 WeakPolarHBondContact O-CA 3.27Å; L81-G85 PolarHBondContact O-N 2.9Å; L81-V89 HydrophobicContact CB-CG1 3.9Å; L81-V89 HydrophobicContact CB-CG2 4.39Å
82S96Very high96.2Very high3 Ų325.7 Ų25.72%0.02113%0.126CC..Hα-helixtrans-62.2-34.2172.3-60.80000112.1L78 E79L78-S82 PolarHBondContact O-N 3.48Å; L78-S82 PolarHBondContact O-OG 3.07Å; L78-S82 VanDerWaalsContact O-OG 3.12Å; E79-S82 PolarHBondContact O-N 3.04Å
83K95.8Very high96.2Very high26 Ų2622.3 Ų22.311%0.11311%0.113CC..Hα-helixtrans-80.7-44.8176.7-65.3-177.7-174.4-174.40112.8E79 Y80 L81 L129 E139 R140 A143E79-K83 WeakPolarHBondContact O-CG 3.38Å; E79-K83 PolarHBondContact O-N 2.96Å; E79-K83 VanDerWaalsContact O-N 3.11Å; E79-K83 IonicContact OE1-NZ 2.75Å; Y80-K83 PolarHBondContact O-N 3.04Å; L81-K83 VanDerWaalsContact C-N 3.26Å; L81-K83 PolarHBondContact O-N 3.47Å; K83-L129 HydrophobicContact CD-CD2 4.5Å; K83-L129 HydrophobicContact CG-CD2 4.42Å; K83-E139 HydrophobicContact CD-CB 4.38Å; K83-E139 WeakPolarHBondContact CE-OE2 3.36Å; K83-E139 IonicContact NZ-OE2 2.65Å; K83-E139 PolarHBondContact NZ-OE2 3.47Å; K83-R140 VanDerWaalsContact O-CG 3.3Å; K83-R140 WeakPolarHBondContact O-CG 3.36Å; K83-R140 PolarHBondContact O-NH1 3.04Å; K83-A143 HydrophobicContact CB-CB 3.85Å
84T95.6Very high96.1Very high2 Ų225.3 Ų25.31%0.01212%0.124CC..Hα-helixtrans-116.6-8.9-167.466.50000116.7Y80 A143Y80-T84 VanDerWaalsContact CD1-OG1 3.29Å; Y80-T84 WeakPolarHBondContact CD1-OG1 3.48Å; Y80-T84 HydrophobicContact CE1-CG2 4.36Å; Y80-T84 WeakPolarHBondContact CE1-OG1 3.37Å; Y80-T84 HydrophobicContact CE2-CG2 4.13Å; Y80-T84 PolarHBondContact O-N 3.46Å; Y80-T84 PolarHBondContact O-OG1 3.01Å; T84-A143 HydrophobicContact CG2-CB 3.8Å
85G95.2Very high96Very high0 Ų031.5 Ų31.50%015%0.153CC..SBendtrans-84.3-158.2179.900000113.2T44 L81 R140T44-G85 WeakPolarHBondContact OG1-CA 3.09Å; L81-G85 VanDerWaalsContact O-CA 3.31Å; L81-G85 WeakPolarHBondContact O-CA 3.27Å; L81-G85 PolarHBondContact O-N 2.9Å; G85-R140 VanDerWaalsContact O-CZ 3.23Å; G85-R140 PolarHBondContact O-NH1 2.91Å; G85-R140 PolarHBondContact O-NH2 3.33Å
86S95.7Very high95.8Very high14 Ų1434.3 Ų34.310%0.09817%0.168CC..  trans-72.5143.2168.5-178.50000111T44 K88 V89T44-S86 WeakPolarHBondContact O-CB 3.3Å; T44-S86 PolarHBondContact OG1-N 2.86Å; S86-K88 PolarHBondContact O-N 2.92Å; S86-V89 WeakPolarHBondContact O-CB 3.34Å; S86-V89 VanDerWaalsContact O-CG2 3.32Å; S86-V89 WeakPolarHBondContact O-CG2 3.5Å; S86-V89 PolarHBondContact O-N 3.18Å
87D94Very high95.8Very high92 Ų9234 Ų3449%0.49217%0.165SC..THydrogen-bonded Turntrans-56.3-26.4-179-48.8-89.3000112.7V89 A90 T91 R140D87-V89 PolarHBondContact O-N 3.48Å; D87-V89 VanDerWaalsContact O-N 3.13Å; D87-A90 WeakPolarHBondContact O-CB 3.42Å; D87-A90 PolarHBondContact O-N 3.23Å; D87-T91 PolarHBondContact O-N 3.34Å; D87-T91 PolarHBondContact O-OG1 2.99Å; D87-R140 IonicContact OD1-CZ 3.22Å; D87-R140 IonicContact OD1-NE 3.93Å; D87-R140 PolarHBondContact OD1-NE 3.47Å; D87-R140 IonicContact OD1-NH2 2.88Å; D87-R140 PolarHBondContact OD1-NH2 3.4Å; D87-R140 IonicContact OD2-NH2 2.74Å; D87-R140 PolarHBondContact OD2-NH2 3.48Å
88K95.5Very high95.7Very high110 Ų11040.6 Ų40.648%0.47820%0.196SC..Hα-helixtrans-55.8-27.4172.7-62-175.7179.4-177.10113.5F50 S86 Q92F50-K88 HydrophobicContact CD2-CB 4.34Å; F50-K88 HydrophobicContact CE1-CB 4.39Å; F50-K88 HydrophobicContact CE2-CB 3.64Å; F50-K88 HydrophobicContact CZ-CB 3.68Å; S86-K88 PolarHBondContact O-N 2.92Å; K88-Q92 PolarHBondContact O-N 3.45Å
89V96.7Very high95.6Very high0 Ų043.3 Ų43.30%022%0.215CC..Hα-helixtrans-63.3-47.4174.3179.50000109.8T44 F50 M54 L78 L81 S86 D87 Q92 C93T44-V89 HydrophobicContact CG2-CG2 4.06Å; F50-V89 HydrophobicContact CD2-CG2 4.27Å; F50-V89 HydrophobicContact CE2-CG2 3.79Å; M54-V89 HydrophobicContact CE-CG1 4.22Å; M54-V89 HydrophobicContact SD-CG1 4.15Å; M54-V89 HydrophobicContact SD-CG2 4.4Å; L78-V89 HydrophobicContact CD1-CG1 4.12Å; L81-V89 HydrophobicContact CB-CG1 3.9Å; L81-V89 HydrophobicContact CB-CG2 4.39Å; S86-V89 WeakPolarHBondContact O-CB 3.34Å; S86-V89 VanDerWaalsContact O-CG2 3.32Å; S86-V89 WeakPolarHBondContact O-CG2 3.5Å; S86-V89 PolarHBondContact O-N 3.18Å; D87-V89 PolarHBondContact O-N 3.48Å; D87-V89 VanDerWaalsContact O-N 3.13Å; V89-Q92 PolarHBondContact O-N 3.23Å; V89-C93 WeakPolarHBondContact O-CB 3.48Å; V89-C93 PolarHBondContact O-N 3.29Å; V89-C93 PolarHBondContact O-SG 3Å
90A95.3Very high95.6Very high10 Ų1042.2 Ų42.28%0.08321%0.21CC..Hα-helixtrans-61.3-46.4178.200000111.4D87 Q92 C93 R94 L136D87-A90 WeakPolarHBondContact O-CB 3.42Å; D87-A90 PolarHBondContact O-N 3.23Å; A90-Q92 PolarHBondContact O-N 2.88Å; A90-C93 PolarHBondContact O-N 3.39Å; A90-R94 WeakPolarHBondContact O-CG 3.1Å; A90-R94 PolarHBondContact O-N 3.41Å; A90-L136 HydrophobicContact CB-CD2 3.83Å
91T95.2Very high95.5Very high61 Ų6141.3 Ų41.337%0.37421%0.207SC..Hα-helixtrans-56.2-53.5176.8-44.80000111.7D87 C93 R94 E95D87-T91 PolarHBondContact O-N 3.34Å; D87-T91 PolarHBondContact O-OG1 2.99Å; T91-C93 VanDerWaalsContact C-N 3.28Å; T91-C93 PolarHBondContact O-N 3.37Å; T91-R94 PolarHBondContact O-N 3.04Å; T91-E95 WeakPolarHBondContact O-CG 3.47Å; T91-E95 PolarHBondContact O-N 3.43Å
92Q95.4Very high95.4Very high42 Ų4246 Ų4620%0.19624%0.236CC..Hα-helixtrans-64.3-32.9-179.2-170.4-178.40.600112.4F50 M54 K88 V89 A90 N96F50-Q92 HydrophobicContact CZ-CB 4.48Å; M54-Q92 VanDerWaalsContact CB-OE1 3.32Å; M54-Q92 HydrophobicContact CE-CB 4.14Å; M54-Q92 HydrophobicContact CE-CG 4.19Å; M54-Q92 VanDerWaalsContact CG-OE1 3.29Å; K88-Q92 PolarHBondContact O-N 3.45Å; V89-Q92 PolarHBondContact O-N 3.23Å; A90-Q92 PolarHBondContact O-N 2.88Å; Q92-N96 WeakPolarHBondContact O-CB 3.49Å; Q92-N96 PolarHBondContact O-N 2.9Å; Q92-N96 VanDerWaalsContact O-N 3.09Å; Q92-N96 PolarHBondContact O-ND2 2.65Å
93C96.1Very high95.4Very high0 Ų046.5 Ų46.50%024%0.238CC..Hα-helixtrans-67-33.2173.6-73.10000113.2L78 V89 A90 T91 N96 I97 I100 L130L78-C93 WeakPolarHBondContact CD1-SG 3.5Å; V89-C93 WeakPolarHBondContact O-CB 3.48Å; V89-C93 PolarHBondContact O-N 3.29Å; V89-C93 PolarHBondContact O-SG 3Å; A90-C93 PolarHBondContact O-N 3.39Å; T91-C93 VanDerWaalsContact C-N 3.28Å; T91-C93 PolarHBondContact O-N 3.37Å; C93-N96 CarbonylContact O-C 3.58Å; C93-I97 VanDerWaalsContact O-CA 3.24Å; C93-I97 WeakPolarHBondContact O-CA 3.28Å; C93-I97 PolarHBondContact O-N 3.09Å; C93-I97 VanDerWaalsContact O-N 3.09Å; C93-I100 HydrophobicContact CB-CD1 4.35Å; C93-L130 HydrophobicContact CB-CD1 3.72Å; C93-L130 HydrophobicContact CB-CD2 3.55Å; C93-L130 HydrophobicContact CB-CG 4.3Å
94R94.9Very high95.3Very high71 Ų7147.9 Ų47.927%0.26824%0.243SC..Hα-helixtrans-74.5-43.7174.5-68-169.1-58.9-122.214.6112A90 T91 N96 I97 L130 E133A90-R94 WeakPolarHBondContact O-CG 3.1Å; A90-R94 PolarHBondContact O-N 3.41Å; T91-R94 PolarHBondContact O-N 3.04Å; R94-N96 PolarHBondContact O-N 3.1Å; R94-I97 WeakPolarHBondContact O-CB 3.31Å; R94-I97 WeakPolarHBondContact O-CG2 3.32Å; R94-I97 PolarHBondContact O-N 3.45Å; R94-L130 WeakPolarHBondContact CD-O 3.29Å; R94-L130 HydrophobicContact CG-CB 4.47Å; R94-L130 HydrophobicContact CG-CD2 4.45Å; R94-L130 WeakPolarHBondContact CG-O 3.48Å; R94-E133 VanDerWaalsContact CZ-CD 3.44Å; R94-E133 IonicContact CZ-OE1 3.64Å; R94-E133 IonicContact CZ-OE2 2.7Å; R94-E133 IonicContact NH1-OE1 3.98Å; R94-E133 PolarHBondContact NH1-OE1 3.15Å; R94-E133 IonicContact NH1-OE2 2.68Å; R94-E133 PolarHBondContact NH1-OE2 3.25Å; R94-E133 IonicContact NH2-OE1 3.63Å; R94-E133 PolarHBondContact NH2-OE1 3.43Å; R94-E133 IonicContact NH2-OE2 2.66Å; R94-E133 PolarHBondContact NH2-OE2 2.81Å; R94-E133 VanDerWaalsContact NH2-OE2 3.09Å
95E95.5Very high95.2Very high129 Ų12953.4 Ų53.460%0.60327%0.272SS*.Hα-helixtrans-54.2-41173-69.8166-176.600112.2T91T91-E95 WeakPolarHBondContact O-CG 3.47Å; T91-E95 PolarHBondContact O-N 3.43Å
96N94.3Very high95Very high59 Ų5954.6 Ų54.632%0.31628%0.277SS..THydrogen-bonded Turntrans-104.821.6-175.7-62.5-91.4000112.6W58 Q92 C93 R94 H98 S99W58-N96 HydrophobicContact CH2-CB 3.68Å; W58-N96 HydrophobicContact CZ2-CB 3.62Å; W58-N96 HydrophobicContact CZ3-CB 4.43Å; Q92-N96 WeakPolarHBondContact O-CB 3.49Å; Q92-N96 PolarHBondContact O-N 2.9Å; Q92-N96 VanDerWaalsContact O-N 3.09Å; Q92-N96 PolarHBondContact O-ND2 2.65Å; C93-N96 CarbonylContact O-C 3.58Å; R94-N96 PolarHBondContact O-N 3.1Å; N96-H98 PolarHBondContact O-N 3.42Å; N96-H98 VanDerWaalsContact O-N 3.09Å; N96-S99 WeakPolarHBondContact O-CB 3.48Å; N96-S99 PolarHBondContact O-N 3.31Å
97I95.3Very high94.9Very high23 Ų2360.7 Ų60.712%0.11831%0.305CS..THydrogen-bonded Turntrans-55.8-35.6-169.8-167.5164.7000113C93 R94 S99 I100 E101 L130 R131C93-I97 VanDerWaalsContact O-CA 3.24Å; C93-I97 WeakPolarHBondContact O-CA 3.28Å; C93-I97 PolarHBondContact O-N 3.09Å; C93-I97 VanDerWaalsContact O-N 3.09Å; R94-I97 WeakPolarHBondContact O-CB 3.31Å; R94-I97 WeakPolarHBondContact O-CG2 3.32Å; R94-I97 PolarHBondContact O-N 3.45Å; I97-S99 PolarHBondContact O-N 3.16Å; I97-S99 VanDerWaalsContact O-N 3.14Å; I97-I100 WeakPolarHBondContact O-CA 2.99Å; I97-I100 WeakPolarHBondContact O-CB 3.49Å; I97-I100 PolarHBondContact O-N 3.08Å; I97-E101 HydrophobicContact CG1-CG 4Å; I97-E101 WeakPolarHBondContact O-CG 3.4Å; I97-E101 PolarHBondContact O-N 3.38Å; I97-L130 HydrophobicContact CD1-CB 4.19Å; I97-R131 HydrophobicContact CD1-CG 3.82Å
98H95.8Very high94.7Very high137 Ų13757 Ų5763%0.63429%0.285SS*.Hα-helixtrans-50.9-37.5175.2-55.6101.9000113.4N96 I100 E101 T102N96-H98 PolarHBondContact O-N 3.42Å; N96-H98 VanDerWaalsContact O-N 3.09Å; H98-I100 PolarHBondContact O-N 3.25Å; H98-E101 PolarHBondContact O-N 3.21Å; H98-T102 WeakPolarHBondContact O-CG2 3.29Å; H98-T102 PolarHBondContact O-N 3.44Å; H98-T102 PolarHBondContact O-OG1 3.47Å
99S95.2Very high94.5Very high57 Ų5756 Ų5640%0.39929%0.288SS..Hα-helixtrans-72.7-13.2177.8-57.70000114.1N96 I97 T102N96-S99 WeakPolarHBondContact O-CB 3.48Å; N96-S99 PolarHBondContact O-N 3.31Å; I97-S99 PolarHBondContact O-N 3.16Å; I97-S99 VanDerWaalsContact O-N 3.14Å; S99-T102 PolarHBondContact O-OG1 3.1Å
100I95.8Very high94Very high0 Ų058 Ų580%030%0.298CS..Hα-helixtrans-95-37.3169.8-54.4173.7000109.4W58 L75 L78 C93 I97 H98 T102 L103 L126 L130W58-I100 HydrophobicContact CH2-CD1 4.06Å; W58-I100 HydrophobicContact CH2-CG1 3.95Å; W58-I100 HydrophobicContact CZ3-CG1 3.97Å; L75-I100 HydrophobicContact CD2-CG2 4.2Å; L78-I100 HydrophobicContact CD2-CD1 3.99Å; C93-I100 HydrophobicContact CB-CD1 4.35Å; I97-I100 WeakPolarHBondContact O-CA 2.99Å; I97-I100 WeakPolarHBondContact O-CB 3.49Å; I97-I100 PolarHBondContact O-N 3.08Å; H98-I100 PolarHBondContact O-N 3.25Å; I100-T102 PolarHBondContact O-N 3.26Å; I100-L103 WeakPolarHBondContact O-CB 3.03Å; I100-L103 PolarHBondContact O-N 2.95Å; I100-L103 VanDerWaalsContact O-N 3.13Å; I100-L126 HydrophobicContact CD1-CD2 4.32Å; I100-L126 HydrophobicContact CG2-CD2 4.23Å; I100-L126 HydrophobicContact CG2-CG 4.37Å; I100-L130 HydrophobicContact CD1-CD1 3.48Å; I100-L130 VanDerWaalsContact CD1-CD1 3.48Å
101E95.7Very high93.7Very high31 Ų3163.7 Ų63.715%0.14533%0.327CS..Hα-helixtrans-67.3-33.9-179.4-57.8-154154.900113I97 H98 L103 R104 R131I97-E101 HydrophobicContact CG1-CG 4Å; I97-E101 WeakPolarHBondContact O-CG 3.4Å; I97-E101 PolarHBondContact O-N 3.38Å; H98-E101 PolarHBondContact O-N 3.21Å; E101-L103 PolarHBondContact O-N 3.34Å; E101-R104 VanDerWaalsContact O-CB 3.23Å; E101-R104 WeakPolarHBondContact O-CB 3.36Å; E101-R104 VanDerWaalsContact O-CG 3.24Å; E101-R104 WeakPolarHBondContact O-CG 3.48Å; E101-R104 PolarHBondContact O-N 3.22Å; E101-R104 IonicContact OE1-CZ 3.76Å; E101-R104 IonicContact OE1-NH1 3.3Å; E101-R104 PolarHBondContact OE1-NH1 3.18Å; E101-R104 IonicContact OE1-NH2 2.94Å; E101-R104 PolarHBondContact OE1-NH2 3.48Å; E101-R104 IonicContact OE2-CZ 2.9Å; E101-R104 IonicContact OE2-NH1 3.59Å; E101-R104 PolarHBondContact OE2-NH1 3.1Å; E101-R104 IonicContact OE2-NH2 3.19Å; E101-R131 VanDerWaalsContact CD-NH2 3.3Å; E101-R131 IonicContact OE1-CZ 3.94Å; E101-R131 IonicContact OE1-NE 2.84Å; E101-R131 PolarHBondContact OE1-NE 2.75Å; E101-R131 IonicContact OE1-NH2 3.38Å; E101-R131 PolarHBondContact OE1-NH2 2.87Å; E101-R131 IonicContact OE2-NH2 3.07Å; E101-R131 PolarHBondContact OE2-NH2 2.97Å
102T95.1Very high93.4Very high98 Ų9864.2 Ų64.260%0.60135%0.345SS*.G310 helixtrans-60.5-24171.950.60000113.5H98 S99 I100 R104H98-T102 WeakPolarHBondContact O-CG2 3.29Å; H98-T102 PolarHBondContact O-N 3.44Å; H98-T102 PolarHBondContact O-OG1 3.47Å; S99-T102 PolarHBondContact O-OG1 3.1Å; I100-T102 PolarHBondContact O-N 3.26Å; T102-R104 VanDerWaalsContact C-N 3.28Å; T102-R104 PolarHBondContact O-N 3.23Å
103L95.1Very high93.3Very high15 Ų1568.7 Ų68.78%0.07936%0.363CS..G310 helixtrans-79.3-8.2177.3-60.9175.7000113.2L61 V71 L75 I100 E101 D105 F106 V119 R120 A123L61-L103 HydrophobicContact CB-CD1 4.27Å; L61-L103 HydrophobicContact CD2-CD1 3.79Å; V71-L103 HydrophobicContact CG1-CD1 3.9Å; V71-L103 HydrophobicContact CG1-CD2 3.88Å; L75-L103 HydrophobicContact CD1-CD1 4.27Å; L75-L103 HydrophobicContact CD2-CD1 4.05Å; L75-L103 HydrophobicContact CG-CD1 4.32Å; I100-L103 WeakPolarHBondContact O-CB 3.03Å; I100-L103 PolarHBondContact O-N 2.95Å; I100-L103 VanDerWaalsContact O-N 3.13Å; E101-L103 PolarHBondContact O-N 3.34Å; L103-D105 PolarHBondContact O-N 2.98Å; L103-F106 HydrophobicContact CD2-CB 4.47Å; L103-F106 HydrophobicContact CD2-CD2 3.89Å; L103-F106 WeakPolarHBondContact O-CB 3.42Å; L103-F106 PolarHBondContact O-N 3.16Å; L103-V119 HydrophobicContact CB-CG1 4.39Å; L103-R120 WeakPolarHBondContact O-CA 3.18Å; L103-A123 HydrophobicContact CB-CB 3.74Å
104R93.5Very high93.2Very high54 Ų5471.6 Ų71.620%0.20438%0.379CS..G310 helixtrans-65.1-20.1172.5-64.5178175.8146.8-1.9113.4E101 T102 R120 A123 R124 S127E101-R104 VanDerWaalsContact O-CB 3.23Å; E101-R104 WeakPolarHBondContact O-CB 3.36Å; E101-R104 VanDerWaalsContact O-CG 3.24Å; E101-R104 WeakPolarHBondContact O-CG 3.48Å; E101-R104 PolarHBondContact O-N 3.22Å; E101-R104 IonicContact OE1-CZ 3.76Å; E101-R104 IonicContact OE1-NH1 3.3Å; E101-R104 PolarHBondContact OE1-NH1 3.18Å; E101-R104 IonicContact OE1-NH2 2.94Å; E101-R104 PolarHBondContact OE1-NH2 3.48Å; E101-R104 IonicContact OE2-CZ 2.9Å; E101-R104 IonicContact OE2-NH1 3.59Å; E101-R104 PolarHBondContact OE2-NH1 3.1Å; E101-R104 IonicContact OE2-NH2 3.19Å; T102-R104 VanDerWaalsContact C-N 3.28Å; T102-R104 PolarHBondContact O-N 3.23Å; R104-R120 VanDerWaalsContact O-CB 3.31Å; R104-R120 WeakPolarHBondContact O-CB 3.35Å; R104-R120 VanDerWaalsContact O-CD 3.28Å; R104-R120 WeakPolarHBondContact O-CD 3.35Å; R104-R120 WeakPolarHBondContact O-CG 3.37Å; R104-A123 HydrophobicContact CG-CB 4.41Å; R104-R124 HydrophobicContact CB-CG 4.15Å; R104-R124 HydrophobicContact CG-CG 3.81Å; R104-R124 PolarHBondContact O-NH2 2.72Å; R104-S127 VanDerWaalsContact CZ-OG 3.3Å; R104-S127 PolarHBondContact NE-OG 3.43Å; R104-S127 VanDerWaalsContact NH2-CB 3.27Å; R104-S127 PolarHBondContact NH2-OG 3.02Å
105D93.8Very high93Very high118 Ų11871.3 Ų71.363%0.63138%0.378SS*.G310 helixtrans-11611.9-178.6-58.6-44.3000112.5L103 E107L103-D105 PolarHBondContact O-N 2.98Å; D105-E107 PolarHBondContact O-N 2.94Å
106F92.3Very high92.9Very high25 Ų2565.1 Ų65.111%0.1135%0.349CS..  trans-58.7117.2177.9-178.9-85.2000112.6W68 V71 L103 C108 V119 R120W68-F106 HydrophobicContact CB-CE1 3.84Å; W68-F106 HydrophobicContact CB-CZ 3.98Å; V71-F106 HydrophobicContact CB-CE2 4.45Å; V71-F106 HydrophobicContact CG1-CE2 4.3Å; V71-F106 HydrophobicContact CG2-CE2 4.05Å; V71-F106 HydrophobicContact CG2-CZ 4.27Å; L103-F106 HydrophobicContact CD2-CB 4.47Å; L103-F106 HydrophobicContact CD2-CD2 3.89Å; L103-F106 WeakPolarHBondContact O-CB 3.42Å; L103-F106 PolarHBondContact O-N 3.16Å; F106-C108 HydrophobicContact CD1-CB 4.39Å; F106-C108 HydrophobicContact CE1-CB 3.69Å; F106-C108 HydrophobicContact CZ-CB 4.41Å; F106-V119 HydrophobicContact CB-CB 4.39Å; F106-V119 HydrophobicContact CB-CG1 3.86Å; F106-V119 HydrophobicContact CD1-CB 3.68Å; F106-V119 HydrophobicContact CD1-CG1 3.73Å; F106-V119 HydrophobicContact CD1-CG2 3.87Å; F106-V119 HydrophobicContact CD2-CG1 4.29Å; F106-V119 HydrophobicContact CE1-CB 4.17Å; F106-V119 HydrophobicContact CE1-CG1 4.3Å; F106-V119 HydrophobicContact CE1-CG2 3.82Å; F106-V119 HydrophobicContact CG-CB 4.17Å; F106-V119 HydrophobicContact CG-CG1 3.72Å; F106-R120 HydrophobicContact CB-CG 4.25Å; F106-R120 VanDerWaalsContact O-CD 3.22Å; F106-R120 WeakPolarHBondContact O-CD 3.2Å; F106-R120 WeakPolarHBondContact O-CG 3.28Å
107E92Very high93Very high143 Ų14368 Ų6867%0.66836%0.359SS*.  trans-101.9130178.3-171.8173.6-165.700111.9D105D105-E107 PolarHBondContact O-N 2.94Å
108C89.8Confident92.9Very high13 Ų1370.2 Ų70.29%0.08837%0.371CS..  trans-156.2113.6171.2-177.60000110.5S65 W68 F106 R115 G116S65-C108 PolarHBondContact O-SG 3.03Å; W68-C108 HydrophobicContact CB-CB 4.31Å; F106-C108 HydrophobicContact CD1-CB 4.39Å; F106-C108 HydrophobicContact CE1-CB 3.69Å; F106-C108 HydrophobicContact CZ-CB 4.41Å; C108-R115 PolarHBondContact O-N 3.33Å; C108-G116 PolarHBondContact O-N 3.46Å
109V91.2Very high92.9Very high89 Ų8963.7 Ų63.754%0.53934%0.341SS..EExtended strand (participates in β ladder)trans-105.9120.4172.5-176.40000108.8K113V109-K113 WeakPolarHBondContact CA-O 3.45Å
110E87.5Confident93Very high42 Ų4264.4 Ų64.420%0.19633%0.334CS..EExtended strand (participates in β ladder)trans-124.2122.4178.6-166.8-177.4-133.200107W68 R69 G112 K113 R115W68-E110 PolarHBondContact NE1-OE2 3.41Å; R69-E110 IonicContact CZ-OE1 2.95Å; R69-E110 IonicContact CZ-OE2 3.47Å; R69-E110 IonicContact NH1-OE1 3.69Å; R69-E110 PolarHBondContact NH1-OE1 3.49Å; R69-E110 IonicContact NH1-OE2 3.19Å; R69-E110 PolarHBondContact NH1-OE2 3.41Å; R69-E110 IonicContact NH2-OE1 3.86Å; R69-E110 PolarHBondContact NH2-OE1 3.4Å; R69-E110 IonicContact NH2-OE2 2.64Å; R69-E110 PolarHBondContact NH2-OE2 2.89Å; E110-G112 VanDerWaalsContact C-N 3.31Å; E110-G112 PolarHBondContact O-N 3.49Å; E110-K113 PolarHBondContact N-O 3.21Å; E110-K113 PolarHBondContact O-N 3Å; E110-R115 HydrophobicContact CB-CG 3.52Å; E110-R115 PolarHBondContact O-NE 2.8Å; E110-R115 IonicContact OE2-NE 2.72Å
111D88.1Confident93Very high131 Ų13169.9 Ų69.970%0.70136%0.36SS*.THydrogen-bonded Turntrans57.338.3-176.9-37.1-50.4000114K113 R115D111-K113 PolarHBondContact O-N 2.91Å; D111-R115 IonicContact OD2-NH2 3.99Å; D111-R115 PolarHBondContact OD2-NH2 3.05Å
112G89.5Confident93Very high72 Ų7270.6 Ų70.674%0.74236%0.362SS*.THydrogen-bonded Turntrans723.8-175.800000114.7E110E110-G112 VanDerWaalsContact C-N 3.31Å; E110-G112 PolarHBondContact O-N 3.49Å
113K92.2Very high93.1Very high135 Ų13565.9 Ų65.959%0.58733%0.334SS*.EExtended strand (participates in β ladder)trans-109.3127.7-178.6-64.1172.3-177.1176.50110V109 E110 D111 R115V109-K113 WeakPolarHBondContact CA-O 3.45Å; E110-K113 PolarHBondContact N-O 3.21Å; E110-K113 PolarHBondContact O-N 3Å; D111-K113 PolarHBondContact O-N 2.91Å; K113-R115 PolarHBondContact O-N 3.01Å
114D93.9Very high93.2Very high61 Ų6171.2 Ų71.233%0.32635%0.353SS..EExtended strand (participates in β ladder)trans-65.9105.9173.3-179.610.3000110G116 K117 R120D114-G116 WeakPolarHBondContact OD1-CA 3.28Å; D114-G116 PolarHBondContact OD1-N 3.34Å; D114-K117 VanDerWaalsContact CG-N 3.35Å; D114-K117 PolarHBondContact OD1-N 3.07Å; D114-K117 WeakPolarHBondContact OD2-CB 3.31Å; D114-K117 PolarHBondContact OD2-N 2.88Å; D114-R120 IonicContact OD2-CZ 3.53Å; D114-R120 IonicContact OD2-NH2 3.74Å; D114-R120 PolarHBondContact OD2-NH2 3.21Å
115R92.2Very high93.4Very high65 Ų6572.2 Ų72.225%0.24536%0.36CS..SBendtrans-88.1-24170.7-48.3-56.4-174.6155.29111.2W68 C108 E110 D111 K113 K117 N118W68-R115 HydrophobicContact CD2-CB 3.7Å; W68-R115 HydrophobicContact CD2-CG 4.39Å; W68-R115 HydrophobicContact CE3-CB 4.27Å; W68-R115 HydrophobicContact CG-CB 3.91Å; W68-R115 HydrophobicContact CZ2-CB 4.04Å; W68-R115 HydrophobicContact CZ2-CG 4.01Å; C108-R115 PolarHBondContact O-N 3.33Å; E110-R115 HydrophobicContact CB-CG 3.52Å; E110-R115 PolarHBondContact O-NE 2.8Å; E110-R115 IonicContact OE2-NE 2.72Å; D111-R115 IonicContact OD2-NH2 3.99Å; D111-R115 PolarHBondContact OD2-NH2 3.05Å; K113-R115 PolarHBondContact O-N 3.01Å; R115-K117 VanDerWaalsContact C-N 3.29Å; R115-K117 PolarHBondContact O-N 2.94Å; R115-N118 PolarHBondContact O-N 3.3Å
116G93.5Very high93.5Very high0 Ų066.6 Ų66.60%033%0.33CS..Hα-helixtrans-60.1-34.9174.700000112.7C108 D114 N118 V119 R120C108-G116 PolarHBondContact O-N 3.46Å; D114-G116 WeakPolarHBondContact OD1-CA 3.28Å; D114-G116 PolarHBondContact OD1-N 3.34Å; G116-N118 PolarHBondContact O-N 3.38Å; G116-N118 VanDerWaalsContact O-N 3.14Å; G116-V119 WeakPolarHBondContact O-CA 3.44Å; G116-V119 WeakPolarHBondContact O-CB 3.47Å; G116-V119 PolarHBondContact O-N 2.91Å; G116-R120 WeakPolarHBondContact O-CG 3.42Å; G116-R120 PolarHBondContact O-N 3.07Å
117K94.9Very high93.7Very high120 Ų12065.4 Ų65.452%0.52233%0.325SS..Hα-helixtrans-43-50.5173.2-175.4-179.4174.3-174.10112.5D114 R115 V119 R120 E121D114-K117 VanDerWaalsContact CG-N 3.35Å; D114-K117 PolarHBondContact OD1-N 3.07Å; D114-K117 WeakPolarHBondContact OD2-CB 3.31Å; D114-K117 PolarHBondContact OD2-N 2.88Å; R115-K117 VanDerWaalsContact C-N 3.29Å; R115-K117 PolarHBondContact O-N 2.94Å; K117-V119 VanDerWaalsContact C-N 3.31Å; K117-V119 PolarHBondContact O-N 2.87Å; K117-R120 PolarHBondContact O-N 2.84Å; K117-E121 VanDerWaalsContact O-CB 3.31Å; K117-E121 WeakPolarHBondContact O-CB 3.24Å; K117-E121 PolarHBondContact O-N 2.95Å
118N93.6Very high93.9Very high69 Ų6962.3 Ų62.337%0.36932%0.315SS..Hα-helixtrans-65.4-34.6-177.3-64.5-0.5000112.3Y72 R115 G116 K122Y72-N118 HydrophobicContact CD2-CB 4.09Å; Y72-N118 HydrophobicContact CE2-CB 3.89Å; Y72-N118 WeakPolarHBondContact CE2-O 3.5Å; R115-N118 PolarHBondContact O-N 3.3Å; G116-N118 PolarHBondContact O-N 3.38Å; G116-N118 VanDerWaalsContact O-N 3.14Å; N118-K122 WeakPolarHBondContact O-CB 3.24Å; N118-K122 PolarHBondContact O-N 3.04Å
119V95.9Very high94.1Very high0 Ų061.8 Ų61.80%031%0.312CS..Hα-helixtrans-68.5-48.9173.5179.90000110V71 Y72 L75 L103 F106 G116 K117 E121 K122 A123V71-V119 HydrophobicContact CG1-CG1 3.81Å; Y72-V119 HydrophobicContact CD2-CG2 4.44Å; L75-V119 HydrophobicContact CD1-CG1 3.88Å; L103-V119 HydrophobicContact CB-CG1 4.39Å; F106-V119 HydrophobicContact CB-CB 4.39Å; F106-V119 HydrophobicContact CB-CG1 3.86Å; F106-V119 HydrophobicContact CD1-CB 3.68Å; F106-V119 HydrophobicContact CD1-CG1 3.73Å; F106-V119 HydrophobicContact CD1-CG2 3.87Å; F106-V119 HydrophobicContact CD2-CG1 4.29Å; F106-V119 HydrophobicContact CE1-CB 4.17Å; F106-V119 HydrophobicContact CE1-CG1 4.3Å; F106-V119 HydrophobicContact CE1-CG2 3.82Å; F106-V119 HydrophobicContact CG-CB 4.17Å; F106-V119 HydrophobicContact CG-CG1 3.72Å; G116-V119 WeakPolarHBondContact O-CA 3.44Å; G116-V119 WeakPolarHBondContact O-CB 3.47Å; G116-V119 PolarHBondContact O-N 2.91Å; K117-V119 VanDerWaalsContact C-N 3.31Å; K117-V119 PolarHBondContact O-N 2.87Å; V119-E121 PolarHBondContact O-N 2.96Å; V119-K122 PolarHBondContact O-N 2.93Å; V119-A123 VanDerWaalsContact O-CB 3.24Å; V119-A123 WeakPolarHBondContact O-CB 3.18Å; V119-A123 PolarHBondContact O-N 3.5Å
120R96.6Very high94.3Very high72 Ų7257.6 Ų57.627%0.27229%0.286SS..Hα-helixtrans-59-44.2179.8-66.4-169-75.2-179.3-3.6112.2L103 R104 F106 D114 G116 K117 R124L103-R120 WeakPolarHBondContact O-CA 3.18Å; R104-R120 VanDerWaalsContact O-CB 3.31Å; R104-R120 WeakPolarHBondContact O-CB 3.35Å; R104-R120 VanDerWaalsContact O-CD 3.28Å; R104-R120 WeakPolarHBondContact O-CD 3.35Å; R104-R120 WeakPolarHBondContact O-CG 3.37Å; F106-R120 HydrophobicContact CB-CG 4.25Å; F106-R120 VanDerWaalsContact O-CD 3.22Å; F106-R120 WeakPolarHBondContact O-CD 3.2Å; F106-R120 WeakPolarHBondContact O-CG 3.28Å; D114-R120 IonicContact OD2-CZ 3.53Å; D114-R120 IonicContact OD2-NH2 3.74Å; D114-R120 PolarHBondContact OD2-NH2 3.21Å; G116-R120 WeakPolarHBondContact O-CG 3.42Å; G116-R120 PolarHBondContact O-N 3.07Å; K117-R120 PolarHBondContact O-N 2.84Å; R120-R124 WeakPolarHBondContact O-CB 3.45Å; R120-R124 WeakPolarHBondContact O-CD 3.33Å; R120-R124 WeakPolarHBondContact O-CG 3.21Å; R120-R124 PolarHBondContact O-N 3.36Å
121E97Very high94.6Very high114 Ų11463.5 Ų63.553%0.53331%0.307SS..Hα-helixtrans-66.5-45.4178.7-173.4163.7-167.300112K117 V119 R124 H125K117-E121 VanDerWaalsContact O-CB 3.31Å; K117-E121 WeakPolarHBondContact O-CB 3.24Å; K117-E121 PolarHBondContact O-N 2.95Å; V119-E121 PolarHBondContact O-N 2.96Å; E121-R124 PolarHBondContact O-N 2.64Å; E121-H125 PolarHBondContact O-N 3.24Å
122K96.3Very high94.9Very high46 Ų4660.3 Ų60.320%0.229%0.29CS..Hα-helixtrans-67.8-38.5177.1-162.558.5163169.90112.4Y72 L75 E79 N118 V119 H125 L126Y72-K122 HydrophobicContact CD2-CB 4.45Å; Y72-K122 HydrophobicContact CE2-CB 4.11Å; Y72-K122 HydrophobicContact CE2-CG 4.4Å; L75-K122 HydrophobicContact CB-CG 4.02Å; L75-K122 HydrophobicContact CD1-CB 4.38Å; E79-K122 IonicContact OE1-NZ 3.8Å; E79-K122 PolarHBondContact OE1-NZ 3.12Å; E79-K122 WeakPolarHBondContact OE2-CD 3.35Å; E79-K122 WeakPolarHBondContact OE2-CE 3.33Å; E79-K122 IonicContact OE2-NZ 3.59Å; E79-K122 PolarHBondContact OE2-NZ 3.11Å; N118-K122 WeakPolarHBondContact O-CB 3.24Å; N118-K122 PolarHBondContact O-N 3.04Å; V119-K122 PolarHBondContact O-N 2.93Å; K122-H125 PolarHBondContact O-N 3.43Å; K122-L126 WeakPolarHBondContact O-CB 3.46Å; K122-L126 PolarHBondContact O-N 2.92Å
123A97.1Very high95Very high0 Ų062.5 Ų62.50%028%0.281CS..Hα-helixtrans-63.2-43.717400000111.7L75 L103 R104 V119 S127L75-A123 HydrophobicContact CD1-CB 4.03Å; L103-A123 HydrophobicContact CB-CB 3.74Å; R104-A123 HydrophobicContact CG-CB 4.41Å; V119-A123 VanDerWaalsContact O-CB 3.24Å; V119-A123 WeakPolarHBondContact O-CB 3.18Å; V119-A123 PolarHBondContact O-N 3.5Å; A123-S127 WeakPolarHBondContact O-CB 3.23Å; A123-S127 PolarHBondContact O-N 3.27Å; A123-S127 PolarHBondContact O-OG 3.15Å
124R97Very high95.1Very high126 Ų12663.6 Ų63.648%0.47529%0.288SS..Hα-helixtrans-56.8-56.9172.9-73.5166.7-164.7-148.2-2.8110.7R104 R120 E121 L126 S127 T128R104-R124 HydrophobicContact CB-CG 4.15Å; R104-R124 HydrophobicContact CG-CG 3.81Å; R104-R124 PolarHBondContact O-NH2 2.72Å; R120-R124 WeakPolarHBondContact O-CB 3.45Å; R120-R124 WeakPolarHBondContact O-CD 3.33Å; R120-R124 WeakPolarHBondContact O-CG 3.21Å; R120-R124 PolarHBondContact O-N 3.36Å; E121-R124 PolarHBondContact O-N 2.64Å; R124-L126 PolarHBondContact O-N 3.24Å; R124-S127 PolarHBondContact O-N 3.29Å; R124-S127 PolarHBondContact O-OG 3.33Å; R124-T128 PolarHBondContact O-N 3.47Å; R124-T128 PolarHBondContact O-OG1 3.26Å
125H96.7Very high95.1Very high76 Ų7665 Ų6535%0.35229%0.289SS..Hα-helixtrans-53.8-52.3-179.7-178.987.9000112.8E79 E121 K122 S127 T128 L129E79-H125 IonicContact OE2-CD2 3.42Å; E79-H125 PolarHBondContact OE2-CD2 3.02Å; E79-H125 VanDerWaalsContact OE2-CD2 3.24Å; E79-H125 IonicContact OE2-NE2 3.37Å; E121-H125 PolarHBondContact O-N 3.24Å; K122-H125 PolarHBondContact O-N 3.43Å; H125-S127 PolarHBondContact O-N 2.97Å; H125-T128 PolarHBondContact O-N 3.44Å; H125-L129 PolarHBondContact O-N 2.98Å
126L96.6Very high95.2Very high0 Ų062.2 Ų62.20%028%0.278CS..Hα-helixtrans-61.3-42.3178.9178.457.1000112L75 L78 E79 I100 K122 R124 T128 L129 L130L75-L126 HydrophobicContact CD2-CD2 4.03Å; L78-L126 HydrophobicContact CB-CD2 4.22Å; L78-L126 HydrophobicContact CD2-CD2 4.15Å; L78-L126 HydrophobicContact CG-CD2 4.2Å; E79-L126 HydrophobicContact CB-CD1 3.95Å; E79-L126 HydrophobicContact CG-CD1 4.2Å; I100-L126 HydrophobicContact CD1-CD2 4.32Å; I100-L126 HydrophobicContact CG2-CD2 4.23Å; I100-L126 HydrophobicContact CG2-CG 4.37Å; K122-L126 WeakPolarHBondContact O-CB 3.46Å; K122-L126 PolarHBondContact O-N 2.92Å; R124-L126 PolarHBondContact O-N 3.24Å; L126-T128 VanDerWaalsContact C-N 3.35Å; L126-T128 PolarHBondContact O-N 3.49Å; L126-L129 PolarHBondContact O-N 3.49Å; L126-L130 HydrophobicContact CD1-CD1 3.87Å; L126-L130 HydrophobicContact CD1-CG 4.01Å; L126-L130 HydrophobicContact CG-CD1 3.83Å; L126-L130 HydrophobicContact CG-CG 4.42Å; L126-L130 WeakPolarHBondContact O-CB 3.49Å; L126-L130 VanDerWaalsContact O-CG 3.28Å; L126-L130 WeakPolarHBondContact O-CG 3.36Å; L126-L130 PolarHBondContact O-N 2.95Å
127S95.6Very high95.3Very high0 Ų068 Ų680%031%0.305CS..Hα-helixtrans-69.8-27.7179.570.20000114.1R104 A123 R124 H125 R131R104-S127 VanDerWaalsContact CZ-OG 3.3Å; R104-S127 PolarHBondContact NE-OG 3.43Å; R104-S127 VanDerWaalsContact NH2-CB 3.27Å; R104-S127 PolarHBondContact NH2-OG 3.02Å; A123-S127 WeakPolarHBondContact O-CB 3.23Å; A123-S127 PolarHBondContact O-N 3.27Å; A123-S127 PolarHBondContact O-OG 3.15Å; R124-S127 PolarHBondContact O-N 3.29Å; R124-S127 PolarHBondContact O-OG 3.33Å; H125-S127 PolarHBondContact O-N 2.97Å; S127-R131 WeakPolarHBondContact O-CG 3.38Å; S127-R131 PolarHBondContact O-N 2.84Å
128T96Very high95.3Very high77 Ų7768 Ų6847%0.47231%0.307SS..Hα-helixtrans-70.8-48170.3-63.50000110.1R124 H125 L126 L130 R131 D132R124-T128 PolarHBondContact O-N 3.47Å; R124-T128 PolarHBondContact O-OG1 3.26Å; H125-T128 PolarHBondContact O-N 3.44Å; L126-T128 VanDerWaalsContact C-N 3.35Å; L126-T128 PolarHBondContact O-N 3.49Å; T128-L130 VanDerWaalsContact C-N 3.28Å; T128-L130 PolarHBondContact O-N 3.27Å; T128-R131 PolarHBondContact O-N 2.95Å; T128-R131 VanDerWaalsContact O-N 3.15Å; T128-D132 PolarHBondContact O-N 3.47Å
129L95.1Very high95.3Very high2 Ų267.1 Ų67.11%0.0130%0.301CS..Hα-helixtrans-60-35.9177.8-17769.1000112.6K83 H125 L126 R131 D132 R135 L136 E139K83-L129 HydrophobicContact CD-CD2 4.5Å; K83-L129 HydrophobicContact CG-CD2 4.42Å; H125-L129 PolarHBondContact O-N 2.98Å; L126-L129 PolarHBondContact O-N 3.49Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-D132 PolarHBondContact O-N 2.9Å; L129-D132 VanDerWaalsContact O-O 3.14Å; L129-R135 HydrophobicContact CD1-CG 4.31Å; L129-L136 HydrophobicContact CD1-CB 4.32Å; L129-L136 HydrophobicContact CD1-CD1 4.35Å; L129-L136 HydrophobicContact CD2-CD1 4.06Å; L129-L136 HydrophobicContact CG-CB 4.48Å; L129-L136 HydrophobicContact CG-CD1 3.97Å; L129-E139 HydrophobicContact CD1-CB 4.41Å; L129-E139 HydrophobicContact CD1-CG 4.26Å
130L95Very high95.3Very high1 Ų168.5 Ų68.51%0.00531%0.306CS..THydrogen-bonded Turntrans-75.6-17.2178.4-73.3167.9000114.5C93 R94 I97 I100 L126 T128 L136C93-L130 HydrophobicContact CB-CD1 3.72Å; C93-L130 HydrophobicContact CB-CD2 3.55Å; C93-L130 HydrophobicContact CB-CG 4.3Å; R94-L130 WeakPolarHBondContact CD-O 3.29Å; R94-L130 HydrophobicContact CG-CB 4.47Å; R94-L130 HydrophobicContact CG-CD2 4.45Å; R94-L130 WeakPolarHBondContact CG-O 3.48Å; I97-L130 HydrophobicContact CD1-CB 4.19Å; I100-L130 HydrophobicContact CD1-CD1 3.48Å; I100-L130 VanDerWaalsContact CD1-CD1 3.48Å; L126-L130 HydrophobicContact CD1-CD1 3.87Å; L126-L130 HydrophobicContact CD1-CG 4.01Å; L126-L130 HydrophobicContact CG-CD1 3.83Å; L126-L130 HydrophobicContact CG-CG 4.42Å; L126-L130 WeakPolarHBondContact O-CB 3.49Å; L126-L130 VanDerWaalsContact O-CG 3.28Å; L126-L130 WeakPolarHBondContact O-CG 3.36Å; L126-L130 PolarHBondContact O-N 2.95Å; T128-L130 VanDerWaalsContact C-N 3.28Å; T128-L130 PolarHBondContact O-N 3.27Å; L130-L136 HydrophobicContact CD2-CD2 4.31Å
131R93.8Very high95.2Very high166 Ų16667.5 Ų67.563%0.62631%0.308SS*.THydrogen-bonded Turntrans-84.6-19.2175.2-76.4171.8171.7-125.42.7112.8I97 E101 S127 T128 L129I97-R131 HydrophobicContact CD1-CG 3.82Å; E101-R131 VanDerWaalsContact CD-NH2 3.3Å; E101-R131 IonicContact OE1-CZ 3.94Å; E101-R131 IonicContact OE1-NE 2.84Å; E101-R131 PolarHBondContact OE1-NE 2.75Å; E101-R131 IonicContact OE1-NH2 3.38Å; E101-R131 PolarHBondContact OE1-NH2 2.87Å; E101-R131 IonicContact OE2-NH2 3.07Å; E101-R131 PolarHBondContact OE2-NH2 2.97Å; S127-R131 WeakPolarHBondContact O-CG 3.38Å; S127-R131 PolarHBondContact O-N 2.84Å; T128-R131 PolarHBondContact O-N 2.95Å; T128-R131 VanDerWaalsContact O-N 3.15Å; L129-R131 VanDerWaalsContact C-N 3.34Å
132D94.3Very high95Very high65 Ų6567.7 Ų67.735%0.34831%0.31SS..  trans-112.990.7-174.1-175.4-14.1000109T128 L129 R135 L136T128-D132 PolarHBondContact O-N 3.47Å; L129-D132 PolarHBondContact O-N 2.9Å; L129-D132 VanDerWaalsContact O-O 3.14Å; D132-R135 HydrophobicContact CB-CB 4.14Å; D132-R135 VanDerWaalsContact OD1-CB 3.3Å; D132-R135 WeakPolarHBondContact OD1-CB 3.23Å; D132-R135 PolarHBondContact OD1-N 2.84Å; D132-R135 VanDerWaalsContact OD2-CB 3.26Å; D132-R135 WeakPolarHBondContact OD2-CB 3.08Å; D132-L136 VanDerWaalsContact O-CB 3.28Å; D132-L136 WeakPolarHBondContact O-CB 3.43Å; D132-L136 PolarHBondContact O-N 2.77Å
133E92.3Very high94.8Very high118 Ų11866.6 Ų66.655%0.55131%0.31SS*.Hα-helixtrans-70-31.7-174176.3142.8-133.300112.8R94 L136 H137R94-E133 VanDerWaalsContact CZ-CD 3.44Å; R94-E133 IonicContact CZ-OE1 3.64Å; R94-E133 IonicContact CZ-OE2 2.7Å; R94-E133 IonicContact NH1-OE1 3.98Å; R94-E133 PolarHBondContact NH1-OE1 3.15Å; R94-E133 IonicContact NH1-OE2 2.68Å; R94-E133 PolarHBondContact NH1-OE2 3.25Å; R94-E133 IonicContact NH2-OE1 3.63Å; R94-E133 PolarHBondContact NH2-OE1 3.43Å; R94-E133 IonicContact NH2-OE2 2.66Å; R94-E133 PolarHBondContact NH2-OE2 2.81Å; R94-E133 VanDerWaalsContact NH2-OE2 3.09Å; E133-L136 PolarHBondContact O-N 2.65Å; E133-H137 WeakPolarHBondContact O-CB 3.39Å; E133-H137 PolarHBondContact O-N 3.26Å
134E93.7Very high94.6Very high157 Ų15769.5 Ų69.573%0.73433%0.325SS*.Hα-helixtrans-65-54.4176.1-177.6164.8-139.800110.2L136 H137 E138E134-L136 VanDerWaalsContact C-N 3.31Å; E134-L136 PolarHBondContact O-N 2.98Å; E134-H137 WeakPolarHBondContact O-CA 3.49Å; E134-H137 WeakPolarHBondContact O-CB 3.29Å; E134-H137 PolarHBondContact O-N 3.47Å; E134-E138 PolarHBondContact O-N 3.36Å
135R94.2Very high94.3Very high92 Ų9268.9 Ų68.935%0.34733%0.33SS..Hα-helixtrans-61.6-36.8175.5-175.4-173163.5162.64.7113L129 D132 H137 E138 E139L129-R135 HydrophobicContact CD1-CG 4.31Å; D132-R135 HydrophobicContact CB-CB 4.14Å; D132-R135 VanDerWaalsContact OD1-CB 3.3Å; D132-R135 WeakPolarHBondContact OD1-CB 3.23Å; D132-R135 PolarHBondContact OD1-N 2.84Å; D132-R135 VanDerWaalsContact OD2-CB 3.26Å; D132-R135 WeakPolarHBondContact OD2-CB 3.08Å; R135-H137 VanDerWaalsContact C-N 3.26Å; R135-H137 PolarHBondContact O-N 3.11Å; R135-E138 PolarHBondContact O-N 2.86Å; R135-E139 HydrophobicContact CG-CG 4.43Å; R135-E139 IonicContact CZ-OE1 3.53Å; R135-E139 IonicContact NE-OE1 3.64Å; R135-E139 PolarHBondContact NE-OE1 3.18Å; R135-E139 IonicContact NH2-OE1 2.68Å; R135-E139 PolarHBondContact NH2-OE1 2.79Å; R135-E139 WeakPolarHBondContact O-CB 3.31Å; R135-E139 PolarHBondContact O-N 3.39Å
136L94.7Very high94Very high6 Ų668.3 Ų68.33%0.03134%0.339CS..Hα-helixtrans-62.9-36.2174.6176.459.2000111.3A90 L129 L130 D132 E133 E134 R140A90-L136 HydrophobicContact CB-CD2 3.83Å; L129-L136 HydrophobicContact CD1-CB 4.32Å; L129-L136 HydrophobicContact CD1-CD1 4.35Å; L129-L136 HydrophobicContact CD2-CD1 4.06Å; L129-L136 HydrophobicContact CG-CB 4.48Å; L129-L136 HydrophobicContact CG-CD1 3.97Å; L130-L136 HydrophobicContact CD2-CD2 4.31Å; D132-L136 VanDerWaalsContact O-CB 3.28Å; D132-L136 WeakPolarHBondContact O-CB 3.43Å; D132-L136 PolarHBondContact O-N 2.77Å; E133-L136 PolarHBondContact O-N 2.65Å; E134-L136 VanDerWaalsContact C-N 3.31Å; E134-L136 PolarHBondContact O-N 2.98Å; L136-R140 WeakPolarHBondContact O-CB 3.32Å; L136-R140 PolarHBondContact O-N 3Å
137H94.2Very high93.6Very high122 Ų12270.4 Ų70.457%0.56535%0.347SS*.Hα-helixtrans-66.6-45.2173.8-167.781.8000111.6E133 E134 R135 R140 T141E133-H137 WeakPolarHBondContact O-CB 3.39Å; E133-H137 PolarHBondContact O-N 3.26Å; E134-H137 WeakPolarHBondContact O-CA 3.49Å; E134-H137 WeakPolarHBondContact O-CB 3.29Å; E134-H137 PolarHBondContact O-N 3.47Å; R135-H137 VanDerWaalsContact C-N 3.26Å; R135-H137 PolarHBondContact O-N 3.11Å; H137-R140 WeakPolarHBondContact O-CB 3.34Å; H137-R140 PolarHBondContact O-N 3.34Å; H137-T141 WeakPolarHBondContact O-CG2 3.26Å; H137-T141 PolarHBondContact O-N 2.73Å
138E95Very high93.2Very high118 Ų11874.5 Ų74.555%0.55137%0.369SS*.Hα-helixtrans-56.2-55.3173.7-64.2-176.5140.100111.6E134 R135 R140 T141 M142E134-E138 PolarHBondContact O-N 3.36Å; R135-E138 PolarHBondContact O-N 2.86Å; E138-R140 PolarHBondContact O-N 2.92Å; E138-T141 PolarHBondContact O-N 3.09Å; E138-T141 VanDerWaalsContact O-N 3.11Å; E138-T141 PolarHBondContact O-OG1 3.14Å; E138-M142 WeakPolarHBondContact O-CG 3.24Å; E138-M142 PolarHBondContact O-N 2.86Å
139E93.9Very high92.8Very high52 Ų5279 Ų7924%0.24338%0.377CS..Hα-helixtrans-62.1-28.4-179.9-70.7-135.4-144.200112.3K83 L129 R135 A143K83-E139 HydrophobicContact CD-CB 4.38Å; K83-E139 WeakPolarHBondContact CE-OE2 3.36Å; K83-E139 IonicContact NZ-OE2 2.65Å; K83-E139 PolarHBondContact NZ-OE2 3.47Å; L129-E139 HydrophobicContact CD1-CB 4.41Å; L129-E139 HydrophobicContact CD1-CG 4.26Å; R135-E139 HydrophobicContact CG-CG 4.43Å; R135-E139 IonicContact CZ-OE1 3.53Å; R135-E139 IonicContact NE-OE1 3.64Å; R135-E139 PolarHBondContact NE-OE1 3.18Å; R135-E139 IonicContact NH2-OE1 2.68Å; R135-E139 PolarHBondContact NH2-OE1 2.79Å; R135-E139 WeakPolarHBondContact O-CB 3.31Å; R135-E139 PolarHBondContact O-N 3.39Å; E139-A143 WeakPolarHBondContact O-CB 3.28Å; E139-A143 PolarHBondContact O-N 3.43Å
140R96.1Very high92.1Very high28 Ų2885.4 Ų85.411%0.10641%0.411CS..Hα-helixtrans-70-46.2172.1169.3158.6-176.172.4-6.8112.5K83 G85 D87 L136 H137 E138 M142 A143 L144K83-R140 VanDerWaalsContact O-CG 3.3Å; K83-R140 WeakPolarHBondContact O-CG 3.36Å; K83-R140 PolarHBondContact O-NH1 3.04Å; G85-R140 VanDerWaalsContact O-CZ 3.23Å; G85-R140 PolarHBondContact O-NH1 2.91Å; G85-R140 PolarHBondContact O-NH2 3.33Å; D87-R140 IonicContact OD1-CZ 3.22Å; D87-R140 IonicContact OD1-NE 3.93Å; D87-R140 PolarHBondContact OD1-NE 3.47Å; D87-R140 IonicContact OD1-NH2 2.88Å; D87-R140 PolarHBondContact OD1-NH2 3.4Å; D87-R140 IonicContact OD2-NH2 2.74Å; D87-R140 PolarHBondContact OD2-NH2 3.48Å; L136-R140 WeakPolarHBondContact O-CB 3.32Å; L136-R140 PolarHBondContact O-N 3Å; H137-R140 WeakPolarHBondContact O-CB 3.34Å; H137-R140 PolarHBondContact O-N 3.34Å; E138-R140 PolarHBondContact O-N 2.92Å; R140-M142 PolarHBondContact O-N 3.35Å; R140-A143 PolarHBondContact O-N 2.86Å; R140-L144 HydrophobicContact CG-CD1 4Å; R140-L144 WeakPolarHBondContact O-CB 3.48Å; R140-L144 VanDerWaalsContact O-CG 3.27Å; R140-L144 WeakPolarHBondContact O-CG 3.35Å; R140-L144 PolarHBondContact O-N 3.23Å
141T93.8Very high91.2Very high52 Ų5289.8 Ų89.832%0.31943%0.433SS..Hα-helixtrans-60.8-45.7174.963.80000111.4H137 E138 L144 L145H137-T141 WeakPolarHBondContact O-CG2 3.26Å; H137-T141 PolarHBondContact O-N 2.73Å; E138-T141 PolarHBondContact O-N 3.09Å; E138-T141 VanDerWaalsContact O-N 3.11Å; E138-T141 PolarHBondContact O-OG1 3.14Å; T141-L144 PolarHBondContact O-N 2.69Å; T141-L145 WeakPolarHBondContact O-CG 3.41Å; T141-L145 PolarHBondContact O-N 2.85Å
142M93.5Very high90.2Very high117 Ų11788.1 Ų88.158%0.57643%0.432SS*.Hα-helixtrans-65-42.6178.5-64.9-58.7114.800112.4E138 R140 L145 A146E138-M142 WeakPolarHBondContact O-CG 3.24Å; E138-M142 PolarHBondContact O-N 2.86Å; R140-M142 PolarHBondContact O-N 3.35Å; M142-L145 HydrophobicContact CE-CD1 4.07Å; M142-L145 PolarHBondContact O-N 2.84Å; M142-A146 WeakPolarHBondContact O-CB 3.43Å; M142-A146 PolarHBondContact O-N 3.02Å
143A92.4Very high88.5Confident23 Ų2386.8 Ų86.819%0.1943%0.433CS..Hα-helixtrans-68.4-35.4178.600000112.8K83 T84 E139 R140 R147K83-A143 HydrophobicContact CB-CB 3.85Å; T84-A143 HydrophobicContact CG2-CB 3.8Å; E139-A143 WeakPolarHBondContact O-CB 3.28Å; E139-A143 PolarHBondContact O-N 3.43Å; R140-A143 PolarHBondContact O-N 2.86Å; A143-R147 VanDerWaalsContact O-CB 3.29Å; A143-R147 WeakPolarHBondContact O-CB 3.3Å; A143-R147 PolarHBondContact O-N 2.96Å
144L92.4Very high86.3Confident61 Ų6184.4 Ų84.432%0.31943%0.429SS..Hα-helixtrans-67.7-44.2174.5-72.6170.5000111.5R140 T141 A146 R147 D148R140-L144 HydrophobicContact CG-CD1 4Å; R140-L144 WeakPolarHBondContact O-CB 3.48Å; R140-L144 VanDerWaalsContact O-CG 3.27Å; R140-L144 WeakPolarHBondContact O-CG 3.35Å; R140-L144 PolarHBondContact O-N 3.23Å; T141-L144 PolarHBondContact O-N 2.69Å; L144-A146 PolarHBondContact O-N 3.37Å; L144-R147 PolarHBondContact O-N 2.93Å; L144-D148 WeakPolarHBondContact O-CB 3.45Å; L144-D148 PolarHBondContact O-N 2.93Å
145L91.5Very high84.2Confident113 Ų11382.7 Ų82.759%0.59242%0.424SS*.Hα-helixtrans-61.1-42173.9-71.2168.4000112.4T141 M142 R147 D148 R149T141-L145 WeakPolarHBondContact O-CG 3.41Å; T141-L145 PolarHBondContact O-N 2.85Å; M142-L145 HydrophobicContact CE-CD1 4.07Å; M142-L145 PolarHBondContact O-N 2.84Å; L145-R147 VanDerWaalsContact C-N 3.34Å; L145-D148 PolarHBondContact O-N 2.81Å; L145-R149 WeakPolarHBondContact O-CB 3.46Å; L145-R149 PolarHBondContact O-N 2.96Å; L145-R149 VanDerWaalsContact O-N 3.1Å
146A89.8Confident81.6Confident65 Ų6581.8 Ų81.854%0.53744%0.443SS..Hα-helixtrans-65.8-36175.600000112.5M142 L144 L150M142-A146 WeakPolarHBondContact O-CB 3.43Å; M142-A146 PolarHBondContact O-N 3.02Å; L144-A146 PolarHBondContact O-N 3.37Å; A146-L150 PolarHBondContact O-N 3.17Å
147R87.9Confident79.3Confident44 Ų4486.9 Ų86.917%0.16648%0.475CS..Hα-helixtrans-69.5-44.1176.1-167.4-174.985.8135.610.5111.8D42 A143 L144 L145 L150 M151D42-R147 IonicContact OD1-CZ 2.83Å; D42-R147 VanDerWaalsContact OD1-CZ 3.3Å; D42-R147 IonicContact OD1-NH1 3.27Å; D42-R147 PolarHBondContact OD1-NH1 3.24Å; D42-R147 IonicContact OD1-NH2 3.13Å; D42-R147 PolarHBondContact OD1-NH2 2.78Å; D42-R147 IonicContact OD2-NH1 3.43Å; A143-R147 VanDerWaalsContact O-CB 3.29Å; A143-R147 WeakPolarHBondContact O-CB 3.3Å; A143-R147 PolarHBondContact O-N 2.96Å; L144-R147 PolarHBondContact O-N 2.93Å; L145-R147 VanDerWaalsContact C-N 3.34Å; R147-L150 PolarHBondContact O-N 2.92Å; R147-M151 HydrophobicContact CG-CG 4.43Å; R147-M151 HydrophobicContact CG-SD 3.88Å; R147-M151 WeakPolarHBondContact O-CB 3.18Å; R147-M151 WeakPolarHBondContact O-CG 3.41Å; R147-M151 PolarHBondContact O-N 2.7Å
148D87.9Confident76.7Confident85 Ų8587.6 Ų87.646%0.45549%0.488SS..Hα-helixtrans-57.8-50.2176.8-172.286000111L144 L145 L150 M151 H152L144-D148 WeakPolarHBondContact O-CB 3.45Å; L144-D148 PolarHBondContact O-N 2.93Å; L145-D148 PolarHBondContact O-N 2.81Å; D148-L150 VanDerWaalsContact C-N 3.26Å; D148-L150 PolarHBondContact O-N 3.49Å; D148-M151 PolarHBondContact O-N 3.24Å; D148-H152 WeakPolarHBondContact O-CB 3.39Å; D148-H152 PolarHBondContact O-N 2.7Å; D148-H152 IonicContact OD1-CD2 2.81Å; D148-H152 PolarHBondContact OD1-CD2 2.88Å; D148-H152 IonicContact OD1-NE2 3.81Å
149R87.2Confident74.3Confident171 Ų17186.5 Ų86.565%0.64550%0.499SS*.Hα-helixtrans-56.1-38.1174.9-169.2177.4-175.2-179.31.1113.1L145 G153L145-R149 WeakPolarHBondContact O-CB 3.46Å; L145-R149 PolarHBondContact O-N 2.96Å; L145-R149 VanDerWaalsContact O-N 3.1Å; R149-G153 PolarHBondContact O-N 3.32Å; R149-G153 VanDerWaalsContact O-N 3.16Å
150L79.9Confident72Confident138 Ų13889 Ų8972%0.72352%0.522SS*.Hα-helixtrans-74.6-31.2177.2-178.663.3000113.2A146 R147 D148A146-L150 PolarHBondContact O-N 3.17Å; R147-L150 PolarHBondContact O-N 2.92Å; D148-L150 VanDerWaalsContact C-N 3.26Å; D148-L150 PolarHBondContact O-N 3.49Å
151M76.5Confident69.7Low93 Ų9394.1 Ų94.146%0.45856%0.556SS.*Hα-helixtrans-86.5-24.7-179-73179.372.500113.6R147 D148R147-M151 HydrophobicContact CG-CG 4.43Å; R147-M151 HydrophobicContact CG-SD 3.88Å; R147-M151 WeakPolarHBondContact O-CB 3.18Å; R147-M151 WeakPolarHBondContact O-CG 3.41Å; R147-M151 PolarHBondContact O-N 2.7Å; D148-M151 PolarHBondContact O-N 3.24Å
152H72.3Confident67.4Low131 Ų13194.7 Ų94.761%0.60657%0.573SS**Hα-helixtrans-116.70.1-174-64.5-27.8000114.4D148 C154D148-H152 WeakPolarHBondContact O-CB 3.39Å; D148-H152 PolarHBondContact O-N 2.7Å; D148-H152 IonicContact OD1-CD2 2.81Å; D148-H152 PolarHBondContact OD1-CD2 2.88Å; D148-H152 IonicContact OD1-NE2 3.81Å; H152-C154 PolarHBondContact O-N 2.77Å
153G59.7Low65Low36 Ų3696.2 Ų96.237%0.37158%0.583SS.*  trans61.613.6169.700000115R149 L155R149-G153 PolarHBondContact O-N 3.32Å; R149-G153 VanDerWaalsContact O-N 3.16Å; G153-L155 WeakPolarHBondContact O-CD1 3.38Å; G153-L155 PolarHBondContact O-N 2.99Å; G153-L155 VanDerWaalsContact O-N 3.1Å
154C45Very low62.9Low69 Ų6999 Ų9947%0.46660%0.601SS.*  trans-76.9106.3-166.3-167.10000111.6H152 G156H152-C154 PolarHBondContact O-N 2.77Å; C154-G156 PolarHBondContact O-N 2.82Å
155L50Low60.7Low120 Ų120102.3 Ų102.363%0.62863%0.627SS**  trans-74.3108.4168.8-85.671.2000110.3G153 T157G153-L155 WeakPolarHBondContact O-CD1 3.38Å; G153-L155 PolarHBondContact O-N 2.99Å; G153-L155 VanDerWaalsContact O-N 3.1Å; L155-T157 PolarHBondContact O-N 3.04Å
156G40.2Very low58.5Low73 Ų73102.5 Ų102.575%0.75363%0.632SS**  trans69.842.4136.800000118.6C154C154-G156 PolarHBondContact O-N 2.82Å
157T46.2Very low56.3Low114 Ų114108.9 Ų108.970%0.69965%0.648SS**  trans-107.5115.7161.357.40000111.3L155 A159L155-T157 PolarHBondContact O-N 3.04Å; T157-A159 PolarHBondContact O-N 3.49Å
158T39Very low54.2Low136 Ų136115.4 Ų115.483%0.83468%0.68SS**  trans-39.497.3-179.650.70000115.5S160T158-S160 PolarHBondContact O-N 2.93Å
159A45.9Very low51.9Low95 Ų95114.7 Ų114.779%0.78569%0.693SS**  trans-7744.2167.800000112.3T157 T161T157-A159 PolarHBondContact O-N 3.49Å; A159-T161 PolarHBondContact O-N 3.45Å
160S44.7Very low50.3Low104 Ų104113.2 Ų113.273%0.72770%0.703SS**  trans-80.457.2174.5177.40000110.1T158 G162T158-S160 PolarHBondContact O-N 2.93Å; S160-G162 PolarHBondContact O-N 3.29Å
161T47.8Very low48.7Very low136 Ų136112.2 Ų112.283%0.83470%0.704SS**  trans-8255.5-179.6-43.60000110.9A159 D163A159-T161 PolarHBondContact O-N 3.45Å; T161-D163 PolarHBondContact O-N 2.71Å
162G46.7Very low47.2Very low65 Ų65113.6 Ų113.667%0.6772%0.72SS**  trans-79110167.300000110.4S160S160-G162 PolarHBondContact O-N 3.29Å
163D42.8Very low46Very low148 Ų148113.7 Ų113.779%0.79174%0.736SS**SBendtrans70.6134.5146.1-148.43.2000121.4T161T161-D163 PolarHBondContact O-N 2.71Å
164S46.7Very low45.2Very low81 Ų81115.5 Ų115.557%0.56675%0.754SS**  trans34.6103.1152.3-66.50000122.1V166S164-V166 PolarHBondContact O-N 3.21Å
165P46.9Very low45.1Very low131 Ų131124.3 Ų124.385%0.85178%0.778SS**  trans-76.796.1157.731.7-32.8000111.6K167P165-K167 PolarHBondContact O-N 2.99Å
166V46.4Very low44.7Very low117 Ų117123.4 Ų123.471%0.70978%0.782SS**  trans-67.2120.4177.4176.70000111.5S164 H168S164-V166 PolarHBondContact O-N 3.21Å; V166-H168 PolarHBondContact O-N 3.2Å
167K41.7Very low44.8Very low200 Ų200124.2 Ų124.287%0.8778%0.776SS**  trans-72.8102.1-179.4-72.2177.1176172.40113.4P165P165-K167 PolarHBondContact O-N 2.99Å
168H45.6Very low45Very low180 Ų180129.2 Ų129.283%0.83378%0.783SS**  trans-141.7140.4151.5-65.589.7000108.4V166V166-H168 PolarHBondContact O-N 3.2Å
169G38.1Very low45.2Very low71 Ų71127.8 Ų127.873%0.73278%0.776SS**  cis165.921.1-2.600000115.5
170V54.1Low44.8Very low140 Ų140131.6 Ų131.685%0.84878%0.781SS**  trans-145.5130.9-172.6-140.20000112.5
171P47.1Very low44.4Very low117 Ų117130.1 Ų130.176%0.7678%0.783SS**  trans-86.8167.4174.834.5-34.4000113.5
172P45.2Very low43.5Very low122 Ų122129.7 Ų129.779%0.79278%0.784SS**  trans-105.5167.3-150.139.5-37.5000116.8
173S45.7Very low43Very low133 Ų133132.1 Ų132.193%0.9379%0.791SS**  trans-160.3135.2158.8-82.60000112.7
174G42.8Very low42.6Very low74 Ų74130.7 Ų130.776%0.76379%0.792SS**  trans109.2105.716000000118.4
175R44.6Very low42Very low253 Ų253130.8 Ų130.896%0.95579%0.793SS**  trans28.5135.5136.5-74.9178.8170.5-170.6-3.7119.1
176S40.1Very low41.9Very low102 Ų102132.8 Ų132.871%0.71380%0.797SS**  cis-172.8149.923.1-174.10000111.8
177S42.4Very low41.7Very low89 Ų89137.1 Ų137.162%0.62280%0.802SS**  trans62.3141.7164.5-52.70000117
178Y51.1Low41.6Very low220 Ų220136.1 Ų136.186%0.86380%0.798SS**  cis-128.2165.411.3-58.5-93.7000111.1
179P42.1Very low41.5Very low106 Ų106135 Ų13569%0.68879%0.793SS**  trans-99.7145.3-166.14.217.1000115.4
180I38.5Very low41.5Very low174 Ų174141 Ų14189%0.89280%0.799SS**  55.9133.2129.5-55.2164.9000118.5
181G36.4Very low40.9Very low73 Ų73137.7 Ų137.775%0.75379%0.793SS**  trans179.720.7166.300000122.1S183G181-S183 PolarHBondContact O-N 3.21Å
182C29.6Very low40.6Very low127 Ų127138.1 Ų138.186%0.85879%0.794SS**  trans-76.6116.1167.3-179.20000110
183S36Very low40.8Very low117 Ų117140.1 Ų140.182%0.81880%0.797SS**  trans-163.5128.8162.6-80.60000111.7G181G181-S183 PolarHBondContact O-N 3.21Å
184S33Very low40.5Very low118 Ų118139 Ų13983%0.82579%0.787SS**  trans-79169.2172.1-57.90000112.3
185S35.8Very low40.5Very low83 Ų83141 Ų14158%0.5879%0.789SS**  trans70.9107.81591740000118Y187S185-Y187 WeakPolarHBondContact OG-CD2 3.43Å; S185-Y187 WeakPolarHBondContact OG-CE2 3.33Å
186N44.8Very low40.5Very low173 Ų173138.8 Ų138.893%0.92579%0.786SS**  trans-123.6148135.8-91.8-54.2000109.4
187Y41.5Very low40.6Very low208 Ų208139.2 Ų139.282%0.81679%0.789SS**  trans-101176.6-177.1-85.9-110.5000111.4S185S185-Y187 WeakPolarHBondContact OG-CD2 3.43Å; S185-Y187 WeakPolarHBondContact OG-CE2 3.33Å
188F40Very low40.8Very low179 Ų179142.1 Ų142.179%0.78580%0.803SS**  trans74.4143.6-178.8-110.5-122.6000114.1
189E42.4Very low40.8Very low157 Ų157135.1 Ų135.173%0.73479%0.786SS**  cis-139.6125.213.9-170.5164.2163.800115
190K39.5Very low41.1Very low195 Ų195137.4 Ų137.485%0.84879%0.787SS**  trans4.7111.8148.8-163176.7-173.3178.80119.5
191G40Very low41.8Very low72 Ų72134.8 Ų134.874%0.74278%0.779SS**  trans-166.564.5177.200000120.1
192T41.5Very low42.6Very low125 Ų125134.6 Ų134.677%0.76777%0.771SS**  trans38.6109.3143.4-49.70000122.7
193L48.4Very low44Very low164 Ų164132.5 Ų132.586%0.85975%0.754SS**  trans75.3156.3149.2-66.3172.6000120.9
194P40.5Very low45Very low110 Ų110131.6 Ų131.671%0.71474%0.737SS**  trans-117.1157.1-156.441.1-30.8000116.5
195S43.3Very low46.3Very low116 Ų116132.6 Ų132.681%0.81173%0.733SS**  trans-162.2131.4157.4-89.40000115.3
196K44.7Very low47.4Very low206 Ų206133.5 Ų133.590%0.89673%0.727SS**  trans29.3105.5149.5-60.4175.7-178174.70118.9
197S41.8Very low48.2Very low111 Ų111128.8 Ų128.878%0.77671%0.708SS**  trans-126.780.9164.356.20000111.7
198V47Very low49.4Very low150 Ų150123.2 Ų123.291%0.90970%0.695SS**  trans-117.574.8171.8-174.60000108.7
199S50.5Low50.9Low74 Ų74121.8 Ų121.852%0.51769%0.685SS.*  trans-154.6-1.2-178.859.10000115.2V201 A202S199-V201 VanDerWaalsContact C-N 3.25Å; S199-V201 PolarHBondContact O-N 2.89Å; S199-A202 WeakPolarHBondContact O-CB 3.4Å; S199-A202 PolarHBondContact O-N 2.89Å
200H48.9Very low52.2Low153 Ų153117 Ų11771%0.70867%0.667SS**Hα-helixtrans-61.3-28.1-162.4-144-72.3000115A202 T203 E204H200-A202 VanDerWaalsContact C-N 3.35Å; H200-T203 PolarHBondContact O-N 3.46Å; H200-E204 PolarHBondContact O-N 3.06Å
201V52.6Low53.9Low119 Ų119115.5 Ų115.572%0.72166%0.663SS**Hα-helixtrans-71.4-28.4177.9-163.20000112.2S199S199-V201 VanDerWaalsContact C-N 3.25Å; S199-V201 PolarHBondContact O-N 2.89Å
202A51.9Low55.9Low70 Ų70115.1 Ų115.158%0.57965%0.649SS**Hα-helixtrans-75.1-36176.400000111.6S199 H200 E204 E206S199-A202 WeakPolarHBondContact O-CB 3.4Å; S199-A202 PolarHBondContact O-N 2.89Å; H200-A202 VanDerWaalsContact C-N 3.35Å; A202-E204 VanDerWaalsContact C-N 3.33Å; A202-E206 PolarHBondContact O-N 3.32Å
203T60.6Low57.8Low83 Ų83112.8 Ų112.851%0.50964%0.643SS.*Hα-helixtrans-62.7-40.7175.8-44.30000111.7H200 S207H200-T203 PolarHBondContact O-N 3.46Å; T203-S207 WeakPolarHBondContact O-CB 3.37Å; T203-S207 PolarHBondContact O-N 3.03Å
204E56.2Low59.5Low97 Ų97107.6 Ų107.645%0.45363%0.629SS.*Hα-helixtrans-64.4-47.3-179.1-168168.9-125.500111.3H200 A202 E206 S207 V208H200-E204 PolarHBondContact O-N 3.06Å; A202-E204 VanDerWaalsContact C-N 3.33Å; E204-E206 PolarHBondContact O-N 2.65Å; E204-S207 WeakPolarHBondContact O-CB 3.24Å; E204-S207 PolarHBondContact O-N 2.98Å; E204-S207 VanDerWaalsContact O-N 3.1Å; E204-S207 PolarHBondContact O-OG 3.33Å; E204-V208 PolarHBondContact O-N 2.78Å
205L60.6Low61.8Low140 Ų140105.2 Ų105.273%0.73361%0.608SS**Hα-helixtrans-64-39.3179.4-162.176.5000113S207 V208L205-S207 VanDerWaalsContact C-N 3.27Å; L205-S207 PolarHBondContact O-N 3.31Å; L205-V208 PolarHBondContact O-N 3.18Å
206E59Low63.8Low101 Ų101105.4 Ų105.447%0.47260%0.597SS.*Hα-helixtrans-73.5-19.3176.8-156.967.3-150.900112.2A202 E204 R209A202-E206 PolarHBondContact O-N 3.32Å; E204-E206 PolarHBondContact O-N 2.65Å; E206-R209 WeakPolarHBondContact O-CB 3.42Å; E206-R209 PolarHBondContact O-N 3.46Å; E206-R209 WeakPolarHBondContact OE1-CD 3.39Å; E206-R209 IonicContact OE1-CZ 2.78Å; E206-R209 IonicContact OE1-NE 3.6Å; E206-R209 IonicContact OE1-NH1 3.35Å; E206-R209 PolarHBondContact OE1-NH1 3.28Å; E206-R209 IonicContact OE2-NH1 2.82Å; E206-R209 PolarHBondContact OE2-NH1 3.03Å
207S60.9Low66Low75 Ų75100.9 Ų100.952%0.52458%0.579SS.*Hα-helixtrans-76.3-20.5175.877.30000114.5T203 E204 L205 R209T203-S207 WeakPolarHBondContact O-CB 3.37Å; T203-S207 PolarHBondContact O-N 3.03Å; E204-S207 WeakPolarHBondContact O-CB 3.24Å; E204-S207 PolarHBondContact O-N 2.98Å; E204-S207 VanDerWaalsContact O-N 3.1Å; E204-S207 PolarHBondContact O-OG 3.33Å; L205-S207 VanDerWaalsContact C-N 3.27Å; L205-S207 PolarHBondContact O-N 3.31Å; S207-R209 VanDerWaalsContact C-N 3.33Å
208V66.3Low68.3Low90 Ų90100.7 Ų100.755%0.54557%0.569SS.*THydrogen-bonded Turntrans-88.8-4.4174.1-164.50000111.5E204 L205E204-V208 PolarHBondContact O-N 2.78Å; L205-V208 PolarHBondContact O-N 3.18Å
209R72.5Confident70.5Confident149 Ų14997.7 Ų97.756%0.56254%0.544SS*.SBendtrans-84.3126.1178.9-165.2-176.8-152.5148.79.5109.9E206 S207 Q211E206-R209 WeakPolarHBondContact O-CB 3.42Å; E206-R209 PolarHBondContact O-N 3.46Å; E206-R209 WeakPolarHBondContact OE1-CD 3.39Å; E206-R209 IonicContact OE1-CZ 2.78Å; E206-R209 IonicContact OE1-NE 3.6Å; E206-R209 IonicContact OE1-NH1 3.35Å; E206-R209 PolarHBondContact OE1-NH1 3.28Å; E206-R209 IonicContact OE2-NH1 2.82Å; E206-R209 PolarHBondContact OE2-NH1 3.03Å; S207-R209 VanDerWaalsContact C-N 3.33Å; R209-Q211 PolarHBondContact O-N 2.95Å; R209-Q211 VanDerWaalsContact O-N 3.17Å
210P70.5Confident72.5Confident57 Ų5798.4 Ų98.437%0.3754%0.542SS..  trans-61.2122.2178.824.8-33.3000110.3S212 E215 E216P210-S212 VanDerWaalsContact C-N 3.34Å; P210-E215 HydrophobicContact CB-CB 4.44Å; P210-E215 HydrophobicContact CB-CG 4.1Å; P210-E216 HydrophobicContact CB-CB 4.06Å; P210-E216 HydrophobicContact CG-CB 4.28Å
211Q74.4Confident74.6Confident163 Ų16397.1 Ų97.176%0.76254%0.536SS*.SBendtrans-86.3-10.5-177.1-57.6-170.3-0.900112.1R209 E215R209-Q211 PolarHBondContact O-N 2.95Å; R209-Q211 VanDerWaalsContact O-N 3.17Å; Q211-E215 PolarHBondContact N-OE2 2.82Å
212S81.4Confident76.6Confident64 Ų6496 Ų9645%0.44853%0.526SS..SBendtrans-144.8155175.372.20000112.7P210 G214 E215 E216P210-S212 VanDerWaalsContact C-N 3.34Å; S212-G214 PolarHBondContact O-N 3.22Å; S212-E215 WeakPolarHBondContact O-CB 3.35Å; S212-E215 PolarHBondContact O-N 3.49Å; S212-E215 VanDerWaalsContact O-N 3.12Å; S212-E215 WeakPolarHBondContact OG-CB 3.22Å; S212-E215 PolarHBondContact OG-N 2.93Å; S212-E216 PolarHBondContact O-N 2.9Å
213A81.2Confident78.6Confident76 Ų7695 Ų9563%0.62852%0.517SS*.Hα-helixtrans-63.9-22.4175.700000113.6Q217A213-Q217 WeakPolarHBondContact O-CB 2.99Å; A213-Q217 PolarHBondContact O-N 3.46Å; A213-Q217 VanDerWaalsContact O-N 3.11Å
214G85.3Confident80.2Confident56 Ų5696.3 Ų96.358%0.57752%0.52SS*.Hα-helixtrans-73.1-37.4173.200000112.5S212 L218S212-G214 PolarHBondContact O-N 3.22Å; G214-L218 PolarHBondContact O-N 3.43Å; G214-L218 VanDerWaalsContact O-N 3.08Å
215E88.4Confident82Confident59 Ų5994.4 Ų94.428%0.27652%0.522SS..Hα-helixtrans-71.7-39.2173.3178.2-179.5-161.700111.8P210 Q211 S212 Q217 L218 H219P210-E215 HydrophobicContact CB-CB 4.44Å; P210-E215 HydrophobicContact CB-CG 4.1Å; Q211-E215 PolarHBondContact N-OE2 2.82Å; S212-E215 WeakPolarHBondContact O-CB 3.35Å; S212-E215 PolarHBondContact O-N 3.49Å; S212-E215 VanDerWaalsContact O-N 3.12Å; S212-E215 WeakPolarHBondContact OG-CB 3.22Å; S212-E215 PolarHBondContact OG-N 2.93Å; E215-Q217 VanDerWaalsContact C-N 3.32Å; E215-Q217 PolarHBondContact O-N 2.78Å; E215-L218 PolarHBondContact O-N 3.23Å; E215-H219 VanDerWaalsContact CG-CE1 3.5Å; E215-H219 WeakPolarHBondContact CG-CE1 3.23Å; E215-H219 WeakPolarHBondContact O-CB 3.21Å; E215-H219 PolarHBondContact O-N 3.41Å; E215-H219 PolarHBondContact O-ND1 2.87Å; E215-H219 IonicContact OE1-CE1 3.46Å
216E85.8Confident83.5Confident121 Ų12192.4 Ų92.457%0.56551%0.511SS*.Hα-helixtrans-55.9-46.5170.4-175.2-178.3-173.800111.2P210 S212 L218 H219 L220P210-E216 HydrophobicContact CB-CB 4.06Å; P210-E216 HydrophobicContact CG-CB 4.28Å; S212-E216 PolarHBondContact O-N 2.9Å; E216-L218 PolarHBondContact O-N 3Å; E216-H219 PolarHBondContact O-N 3.04Å; E216-L220 VanDerWaalsContact O-CB 3.29Å; E216-L220 WeakPolarHBondContact O-CB 3.06Å; E216-L220 PolarHBondContact O-N 3.2Å
217Q89.3Confident85.1Confident111 Ų11191.4 Ų91.452%0.51952%0.515SS..Hα-helixtrans-65.4-35.3177-17857.683.300112.8A213 E215 Q221A213-Q217 WeakPolarHBondContact O-CB 2.99Å; A213-Q217 PolarHBondContact O-N 3.46Å; A213-Q217 VanDerWaalsContact O-N 3.11Å; E215-Q217 VanDerWaalsContact C-N 3.32Å; E215-Q217 PolarHBondContact O-N 2.78Å; Q217-Q221 WeakPolarHBondContact O-CB 3.33Å; Q217-Q221 PolarHBondContact O-N 3Å
218L91.6Very high86.7Confident107 Ų10793.7 Ų93.756%0.5652%0.515SS*.Hα-helixtrans-68.7-46.4175179.862.4000111.6G214 E215 E216 L220 Q221 L222G214-L218 PolarHBondContact O-N 3.43Å; G214-L218 VanDerWaalsContact O-N 3.08Å; E215-L218 PolarHBondContact O-N 3.23Å; E216-L218 PolarHBondContact O-N 3Å; L218-L220 VanDerWaalsContact C-N 3.34Å; L218-L220 PolarHBondContact O-N 3.4Å; L218-Q221 PolarHBondContact O-N 3.29Å; L218-L222 WeakPolarHBondContact O-CB 3.4Å; L218-L222 PolarHBondContact O-N 2.97Å
219H91.7Very high88Confident86 Ų8693.1 Ų93.140%0.39851%0.507SS..Hα-helixtrans-63.5-38.6175.7-73.9136.5000112E215 E216 L222 A223E215-H219 VanDerWaalsContact CG-CE1 3.5Å; E215-H219 WeakPolarHBondContact CG-CE1 3.23Å; E215-H219 WeakPolarHBondContact O-CB 3.21Å; E215-H219 PolarHBondContact O-N 3.41Å; E215-H219 PolarHBondContact O-ND1 2.87Å; E215-H219 IonicContact OE1-CE1 3.46Å; E216-H219 PolarHBondContact O-N 3.04Å; H219-L222 PolarHBondContact O-N 2.87Å; H219-A223 VanDerWaalsContact O-CB 3.3Å; H219-A223 WeakPolarHBondContact O-CB 3.11Å; H219-A223 PolarHBondContact O-N 2.94Å
220L92.7Very high88.7Confident90 Ų9091.6 Ų91.647%0.47151%0.506SS..Hα-helixtrans-64.1-42.6172.9179.860.6000111.7E216 L218 A223 L224E216-L220 VanDerWaalsContact O-CB 3.29Å; E216-L220 WeakPolarHBondContact O-CB 3.06Å; E216-L220 PolarHBondContact O-N 3.2Å; L218-L220 VanDerWaalsContact C-N 3.34Å; L218-L220 PolarHBondContact O-N 3.4Å; L220-A223 PolarHBondContact O-N 3.42Å; L220-L224 HydrophobicContact CD1-CD1 4.2Å; L220-L224 HydrophobicContact CD1-CG 4.28Å; L220-L224 HydrophobicContact CG-CD1 4.12Å; L220-L224 WeakPolarHBondContact O-CB 3.36Å; L220-L224 VanDerWaalsContact O-CG 3.26Å; L220-L224 WeakPolarHBondContact O-CG 3.38Å; L220-L224 PolarHBondContact O-N 3.06Å
221Q94.3Very high89.8Confident125 Ų12594.5 Ų94.558%0.58451%0.514SS*.Hα-helixtrans-64.6-40176.5-173.9174.39.100111.8Q217 L218 A225Q217-Q221 WeakPolarHBondContact O-CB 3.33Å; Q217-Q221 PolarHBondContact O-N 3Å; L218-Q221 PolarHBondContact O-N 3.29Å; Q221-A225 WeakPolarHBondContact O-CB 3.03Å; Q221-A225 PolarHBondContact O-N 2.99Å
222L95Very high90.6Very high97 Ų9788.7 Ų88.751%0.50849%0.488SS..Hα-helixtrans-65.9-45174.6179.760.2000111.7L218 H219 L224 A225 I226L218-L222 WeakPolarHBondContact O-CB 3.4Å; L218-L222 PolarHBondContact O-N 2.97Å; H219-L222 PolarHBondContact O-N 2.87Å; L222-L224 PolarHBondContact O-N 3.15Å; L222-A225 PolarHBondContact O-N 3.13Å; L222-I226 HydrophobicContact CD1-CD1 3.9Å; L222-I226 HydrophobicContact CD1-CG1 4.18Å; L222-I226 HydrophobicContact CG-CD1 3.86Å; L222-I226 WeakPolarHBondContact O-CG1 3.31Å; L222-I226 PolarHBondContact O-N 3.29Å
223A92.4Very high91.1Very high48 Ų4892.2 Ų92.240%0.39749%0.492SS..Hα-helixtrans-60.5-45176.800000111.6H219 L220 A225 I226 S227H219-A223 VanDerWaalsContact O-CB 3.3Å; H219-A223 WeakPolarHBondContact O-CB 3.11Å; H219-A223 PolarHBondContact O-N 2.94Å; L220-A223 PolarHBondContact O-N 3.42Å; A223-A225 PolarHBondContact O-N 3.26Å; A223-I226 PolarHBondContact O-N 2.9Å; A223-S227 WeakPolarHBondContact O-CB 3.35Å; A223-S227 PolarHBondContact O-N 3.12Å; A223-S227 PolarHBondContact O-OG 2.97Å; A223-S227 VanDerWaalsContact O-OG 3.13Å
224L95.5Very high91.5Very high110 Ų11090.9 Ų90.958%0.57647%0.473SS*.Hα-helixtrans-63.4-38.6174.8-71.2169.9000112.4L220 L222 K228L220-L224 HydrophobicContact CD1-CD1 4.2Å; L220-L224 HydrophobicContact CD1-CG 4.28Å; L220-L224 HydrophobicContact CG-CD1 4.12Å; L220-L224 WeakPolarHBondContact O-CB 3.36Å; L220-L224 VanDerWaalsContact O-CG 3.26Å; L220-L224 WeakPolarHBondContact O-CG 3.38Å; L220-L224 PolarHBondContact O-N 3.06Å; L222-L224 PolarHBondContact O-N 3.15Å; L224-K228 WeakPolarHBondContact O-CB 3.14Å; L224-K228 PolarHBondContact O-N 3.45Å
225A93.2Very high91.7Very high58 Ų5891.9 Ų91.948%0.47946%0.462SS..Hα-helixtrans-66.3-43.1176.100000112.3Q221 L222 A223 K228 E229Q221-A225 WeakPolarHBondContact O-CB 3.03Å; Q221-A225 PolarHBondContact O-N 2.99Å; L222-A225 PolarHBondContact O-N 3.13Å; A223-A225 PolarHBondContact O-N 3.26Å; A225-K228 PolarHBondContact O-N 3.35Å; A225-E229 PolarHBondContact O-N 3.43Å
226I92.8Very high91.9Very high98 Ų9894.7 Ų94.750%0.50347%0.47SS..Hα-helixtrans-64.5-50175.7-68.4168000110.2L222 A223 K228 E229 E230L222-I226 HydrophobicContact CD1-CD1 3.9Å; L222-I226 HydrophobicContact CD1-CG1 4.18Å; L222-I226 HydrophobicContact CG-CD1 3.86Å; L222-I226 WeakPolarHBondContact O-CG1 3.31Å; L222-I226 PolarHBondContact O-N 3.29Å; A223-I226 PolarHBondContact O-N 2.9Å; I226-K228 PolarHBondContact O-N 3.04Å; I226-E229 PolarHBondContact O-N 2.84Å; I226-E230 WeakPolarHBondContact O-CB 3.46Å; I226-E230 PolarHBondContact O-N 3.49Å
227S91.5Very high92.2Very high79 Ų7994.2 Ų94.255%0.55246%0.463SS*.Hα-helixtrans-60-31.6177.2-64.50000112.9A223 H231A223-S227 WeakPolarHBondContact O-CB 3.35Å; A223-S227 PolarHBondContact O-N 3.12Å; A223-S227 PolarHBondContact O-OG 2.97Å; A223-S227 VanDerWaalsContact O-OG 3.13Å; S227-H231 VanDerWaalsContact O-CB 3.31Å; S227-H231 WeakPolarHBondContact O-CB 3.45Å; S227-H231 PolarHBondContact O-N 3.44Å
228K95.4Very high92.3Very high124 Ų12495.2 Ų95.254%0.53946%0.462SS..Hα-helixtrans-71.3-50.1174.4-170.2-174.3179.3-710112.3L224 A225 I226 E230 H231 D232L224-K228 WeakPolarHBondContact O-CB 3.14Å; L224-K228 PolarHBondContact O-N 3.45Å; A225-K228 PolarHBondContact O-N 3.35Å; I226-K228 PolarHBondContact O-N 3.04Å; K228-E230 VanDerWaalsContact C-N 3.3Å; K228-E230 PolarHBondContact O-N 3.38Å; K228-H231 PolarHBondContact O-N 3.47Å; K228-D232 IonicContact NZ-OD1 2.75Å; K228-D232 IonicContact NZ-OD2 3.16Å; K228-D232 PolarHBondContact NZ-OD2 3.38Å; K228-D232 WeakPolarHBondContact O-CB 3.48Å; K228-D232 VanDerWaalsContact O-CG 3.28Å; K228-D232 PolarHBondContact O-N 2.88Å
229E93.6Very high92.3Very high78 Ų7896.4 Ų96.436%0.36446%0.46SS..Hα-helixtrans-64.9-36.5178.7174.653.9-150.300111.3A225 I226 D232 R233 R236A225-E229 PolarHBondContact O-N 3.43Å; I226-E229 PolarHBondContact O-N 2.84Å; E229-D232 PolarHBondContact O-N 2.96Å; E229-R233 WeakPolarHBondContact O-CB 3.32Å; E229-R233 PolarHBondContact O-N 2.81Å; E229-R233 IonicContact OE1-NH1 3.64Å; E229-R233 PolarHBondContact OE1-NH1 3.05Å; E229-R236 VanDerWaalsContact CD-NH2 3.31Å; E229-R236 IonicContact OE1-CZ 3.33Å; E229-R236 IonicContact OE1-NH1 2.7Å; E229-R236 PolarHBondContact OE1-NH1 3Å; E229-R236 IonicContact OE1-NH2 3.75Å; E229-R236 PolarHBondContact OE1-NH2 2.98Å; E229-R236 VanDerWaalsContact OE1-NH2 3.13Å; E229-R236 IonicContact OE2-CZ 2.69Å; E229-R236 IonicContact OE2-NH1 2.7Å; E229-R236 IonicContact OE2-NH2 3.81Å; E229-R236 PolarHBondContact OE2-NH2 3.31Å
230E87.1Confident92.4Very high117 Ų11795.4 Ų95.455%0.54747%0.466SS..Hα-helixtrans-63.1-42.3174.1-162.663-132.700111.4I226 K228 R233 E234I226-E230 WeakPolarHBondContact O-CB 3.46Å; I226-E230 PolarHBondContact O-N 3.49Å; K228-E230 VanDerWaalsContact C-N 3.3Å; K228-E230 PolarHBondContact O-N 3.38Å; E230-R233 PolarHBondContact O-N 3.34Å; E230-E234 WeakPolarHBondContact O-CB 3.32Å; E230-E234 PolarHBondContact O-N 3.25Å
231H92.4Very high92.4Very high117 Ų11795.6 Ų95.654%0.54246%0.464SS..Hα-helixtrans-64.9-48.9174.7-178.245.1000112.3S227 K228 R233 E234 E235S227-H231 VanDerWaalsContact O-CB 3.31Å; S227-H231 WeakPolarHBondContact O-CB 3.45Å; S227-H231 PolarHBondContact O-N 3.44Å; K228-H231 PolarHBondContact O-N 3.47Å; H231-R233 PolarHBondContact O-N 3.23Å; H231-E234 PolarHBondContact O-N 3.06Å; H231-E235 WeakPolarHBondContact O-CB 3.44Å; H231-E235 PolarHBondContact O-N 2.8Å
232D92.7Very high92.4Very high42 Ų4295.2 Ų95.223%0.22546%0.462CS..Hα-helixtrans-61.9-31.6178.1-65.9-10.3000110.9K228 E229 R236K228-D232 IonicContact NZ-OD1 2.75Å; K228-D232 IonicContact NZ-OD2 3.16Å; K228-D232 PolarHBondContact NZ-OD2 3.38Å; K228-D232 WeakPolarHBondContact O-CB 3.48Å; K228-D232 VanDerWaalsContact O-CG 3.28Å; K228-D232 PolarHBondContact O-N 2.88Å; E229-D232 PolarHBondContact O-N 2.96Å; D232-R236 WeakPolarHBondContact O-CB 3.49Å; D232-R236 WeakPolarHBondContact O-CG 3.47Å; D232-R236 PolarHBondContact O-N 3.04Å; D232-R236 PolarHBondContact O-NE 3.14Å
233R91.5Very high92.4Very high137 Ų13793.1 Ų93.152%0.51746%0.459SS..Hα-helixtrans-74.4-44.2176.7-173.1-173.9-148.790.9-2.7112.6E229 E230 H231 E235 R236 R237E229-R233 WeakPolarHBondContact O-CB 3.32Å; E229-R233 PolarHBondContact O-N 2.81Å; E229-R233 IonicContact OE1-NH1 3.64Å; E229-R233 PolarHBondContact OE1-NH1 3.05Å; E230-R233 PolarHBondContact O-N 3.34Å; H231-R233 PolarHBondContact O-N 3.23Å; R233-E235 VanDerWaalsContact C-N 3.32Å; R233-R236 WeakPolarHBondContact O-CB 3.35Å; R233-R236 PolarHBondContact O-N 3.26Å; R233-R237 PolarHBondContact O-N 3.09Å
234E89.2Confident92.4Very high49 Ų4998.7 Ų98.723%0.22948%0.475CS..Hα-helixtrans-63-38.9172.4168.862.1-18000111.2E230 H231 R237 R238E230-E234 WeakPolarHBondContact O-CB 3.32Å; E230-E234 PolarHBondContact O-N 3.25Å; H231-E234 PolarHBondContact O-N 3.06Å; E234-R237 VanDerWaalsContact CD-NH2 3.26Å; E234-R237 WeakPolarHBondContact O-CB 3.44Å; E234-R237 PolarHBondContact O-N 3.24Å; E234-R237 IonicContact OE1-CZ 2.77Å; E234-R237 IonicContact OE1-NH2 3.17Å; E234-R237 PolarHBondContact OE1-NH2 3.05Å; E234-R237 IonicContact OE2-CZ 3.32Å; E234-R237 VanDerWaalsContact OE2-CZ 3.22Å; E234-R237 IonicContact OE2-NE 3.2Å; E234-R237 PolarHBondContact OE2-NE 3.13Å; E234-R237 IonicContact OE2-NH2 2.88Å; E234-R237 PolarHBondContact OE2-NH2 3.19Å; E234-R238 WeakPolarHBondContact O-CG 3.49Å; E234-R238 PolarHBondContact O-N 3.29Å; E234-R238 IonicContact OE1-CZ 3.69Å; E234-R238 IonicContact OE1-NE 3.87Å; E234-R238 PolarHBondContact OE1-NE 2.65Å; E234-R238 IonicContact OE1-NH2 2.9Å; E234-R238 PolarHBondContact OE1-NH2 2.66Å
235E89.9Confident92.3Very high76 Ų7699.8 Ų99.836%0.35548%0.477SS..Hα-helixtrans-70.8-32.3176.3-149.7-160.2-158.700112.2H231 R233 R239H231-E235 WeakPolarHBondContact O-CB 3.44Å; H231-E235 PolarHBondContact O-N 2.8Å; R233-E235 VanDerWaalsContact C-N 3.32Å; E235-R239 VanDerWaalsContact CD-CZ 3.41Å; E235-R239 WeakPolarHBondContact O-CG 3.45Å; E235-R239 PolarHBondContact O-N 3.48Å; E235-R239 VanDerWaalsContact O-N 3.16Å; E235-R239 IonicContact OE1-CZ 3.48Å; E235-R239 IonicContact OE1-NH1 3.09Å; E235-R239 IonicContact OE1-NH2 2.73Å; E235-R239 PolarHBondContact OE1-NH2 2.92Å; E235-R239 IonicContact OE2-CZ 2.72Å; E235-R239 IonicContact OE2-NH1 2.67Å; E235-R239 PolarHBondContact OE2-NH1 3.13Å; E235-R239 IonicContact OE2-NH2 3.81Å; E235-R239 PolarHBondContact OE2-NH2 3.26Å
236R92.7Very high92.3Very high119 Ų119103.6 Ų103.645%0.44948%0.484SS..Hα-helixtrans-64.3-42.7167.1-77.9169.6-115.1146.6-9.2111.7E229 D232 R233 A240E229-R236 VanDerWaalsContact CD-NH2 3.31Å; E229-R236 IonicContact OE1-CZ 3.33Å; E229-R236 IonicContact OE1-NH1 2.7Å; E229-R236 PolarHBondContact OE1-NH1 3Å; E229-R236 IonicContact OE1-NH2 3.75Å; E229-R236 PolarHBondContact OE1-NH2 2.98Å; E229-R236 VanDerWaalsContact OE1-NH2 3.13Å; E229-R236 IonicContact OE2-CZ 2.69Å; E229-R236 IonicContact OE2-NH1 2.7Å; E229-R236 IonicContact OE2-NH2 3.81Å; E229-R236 PolarHBondContact OE2-NH2 3.31Å; D232-R236 WeakPolarHBondContact O-CB 3.49Å; D232-R236 WeakPolarHBondContact O-CG 3.47Å; D232-R236 PolarHBondContact O-N 3.04Å; D232-R236 PolarHBondContact O-NE 3.14Å; R233-R236 WeakPolarHBondContact O-CB 3.35Å; R233-R236 PolarHBondContact O-N 3.26Å; R236-A240 PolarHBondContact O-N 2.85Å; R236-A240 VanDerWaalsContact O-N 3.15Å
237R91.4Very high92.4Very high111 Ų111101.5 Ų101.542%0.41948%0.482SS..Hα-helixtrans-61.4-49.1176.6-172.8-174.568.782.77.7111.2R233 E234 R239 A240 E241R233-R237 PolarHBondContact O-N 3.09Å; E234-R237 VanDerWaalsContact CD-NH2 3.26Å; E234-R237 WeakPolarHBondContact O-CB 3.44Å; E234-R237 PolarHBondContact O-N 3.24Å; E234-R237 IonicContact OE1-CZ 2.77Å; E234-R237 IonicContact OE1-NH2 3.17Å; E234-R237 PolarHBondContact OE1-NH2 3.05Å; E234-R237 IonicContact OE2-CZ 3.32Å; E234-R237 VanDerWaalsContact OE2-CZ 3.22Å; E234-R237 IonicContact OE2-NE 3.2Å; E234-R237 PolarHBondContact OE2-NE 3.13Å; E234-R237 IonicContact OE2-NH2 2.88Å; E234-R237 PolarHBondContact OE2-NH2 3.19Å; R237-R239 PolarHBondContact O-N 2.57Å; R237-A240 WeakPolarHBondContact O-CB 3.4Å; R237-A240 PolarHBondContact O-N 3.28Å; R237-A240 VanDerWaalsContact O-N 3.14Å; R237-E241 VanDerWaalsContact CG-OE1 3.3Å; R237-E241 WeakPolarHBondContact CG-OE1 3.22Å; R237-E241 IonicContact CZ-OE1 3.76Å; R237-E241 IonicContact CZ-OE2 2.99Å; R237-E241 IonicContact NE-OE1 2.71Å; R237-E241 IonicContact NH1-OE1 3.3Å; R237-E241 PolarHBondContact NH1-OE1 3.4Å; R237-E241 IonicContact NH1-OE2 2.82Å; R237-E241 PolarHBondContact NH1-OE2 2.91Å; R237-E241 PolarHBondContact O-N 3.22Å
238R92.5Very high92.5Very high132 Ų132104.8 Ų104.850%0.49849%0.486SS..Hα-helixtrans-57.1-49.8177.4-72.7177.3-170.3-144.7-1.6112.4E234 A240 E241 E242E234-R238 WeakPolarHBondContact O-CG 3.49Å; E234-R238 PolarHBondContact O-N 3.29Å; E234-R238 IonicContact OE1-CZ 3.69Å; E234-R238 IonicContact OE1-NE 3.87Å; E234-R238 PolarHBondContact OE1-NE 2.65Å; E234-R238 IonicContact OE1-NH2 2.9Å; E234-R238 PolarHBondContact OE1-NH2 2.66Å; R238-A240 VanDerWaalsContact C-N 3.25Å; R238-A240 PolarHBondContact O-N 3.46Å; R238-E241 PolarHBondContact O-N 3.06Å; R238-E241 VanDerWaalsContact O-N 3.08Å; R238-E242 WeakPolarHBondContact O-CB 3.37Å; R238-E242 VanDerWaalsContact O-CG 3.28Å; R238-E242 WeakPolarHBondContact O-CG 3.12Å; R238-E242 PolarHBondContact O-N 2.8Å
239R91.9Very high92.5Very high132 Ų132102.5 Ų102.550%0.49848%0.483SS..Hα-helixtrans-60.8-32.9177.1-70.9-173.5-170.697.1-1.9113.3E235 R237 A243E235-R239 VanDerWaalsContact CD-CZ 3.41Å; E235-R239 WeakPolarHBondContact O-CG 3.45Å; E235-R239 PolarHBondContact O-N 3.48Å; E235-R239 VanDerWaalsContact O-N 3.16Å; E235-R239 IonicContact OE1-CZ 3.48Å; E235-R239 IonicContact OE1-NH1 3.09Å; E235-R239 IonicContact OE1-NH2 2.73Å; E235-R239 PolarHBondContact OE1-NH2 2.92Å; E235-R239 IonicContact OE2-CZ 2.72Å; E235-R239 IonicContact OE2-NH1 2.67Å; E235-R239 PolarHBondContact OE2-NH1 3.13Å; E235-R239 IonicContact OE2-NH2 3.81Å; E235-R239 PolarHBondContact OE2-NH2 3.26Å; R237-R239 PolarHBondContact O-N 2.57Å; R239-A243 WeakPolarHBondContact O-CB 3.3Å; R239-A243 PolarHBondContact O-N 3.25Å
240A92.8Very high92.5Very high64 Ų64105.2 Ų105.253%0.52950%0.495SS..Hα-helixtrans-72.5-34.8175.300000112.6R236 R237 R238 K244R236-A240 PolarHBondContact O-N 2.85Å; R236-A240 VanDerWaalsContact O-N 3.15Å; R237-A240 WeakPolarHBondContact O-CB 3.4Å; R237-A240 PolarHBondContact O-N 3.28Å; R237-A240 VanDerWaalsContact O-N 3.14Å; R238-A240 VanDerWaalsContact C-N 3.25Å; R238-A240 PolarHBondContact O-N 3.46Å; A240-K244 WeakPolarHBondContact O-CB 3.47Å; A240-K244 PolarHBondContact O-N 2.96Å; A240-K244 VanDerWaalsContact O-N 3.08Å
241E93.3Very high92.6Very high94 Ų94105.9 Ų105.944%0.43950%0.5SS..Hα-helixtrans-73.1-44.6174.7-74.2168.4-168.400111.8R237 R238 A243 K244 E245R237-E241 VanDerWaalsContact CG-OE1 3.3Å; R237-E241 WeakPolarHBondContact CG-OE1 3.22Å; R237-E241 IonicContact CZ-OE1 3.76Å; R237-E241 IonicContact CZ-OE2 2.99Å; R237-E241 IonicContact NE-OE1 2.71Å; R237-E241 IonicContact NH1-OE1 3.3Å; R237-E241 PolarHBondContact NH1-OE1 3.4Å; R237-E241 IonicContact NH1-OE2 2.82Å; R237-E241 PolarHBondContact NH1-OE2 2.91Å; R237-E241 PolarHBondContact O-N 3.22Å; R238-E241 PolarHBondContact O-N 3.06Å; R238-E241 VanDerWaalsContact O-N 3.08Å; E241-A243 PolarHBondContact O-N 3.05Å; E241-K244 CarbonylContact O-C 3.58Å; E241-K244 WeakPolarHBondContact O-CB 3.43Å; E241-K244 PolarHBondContact O-N 3.11Å; E241-K244 VanDerWaalsContact O-N 3.15Å; E241-E245 PolarHBondContact O-N 3.04Å
242E93.7Very high92.5Very high117 Ų117104.5 Ų104.555%0.54750%0.499SS..Hα-helixtrans-57.2-46.1172.1-72.1164.6-175.900111.2R238 K244 E245 E246R238-E242 WeakPolarHBondContact O-CB 3.37Å; R238-E242 VanDerWaalsContact O-CG 3.28Å; R238-E242 WeakPolarHBondContact O-CG 3.12Å; R238-E242 PolarHBondContact O-N 2.8Å; E242-K244 VanDerWaalsContact C-N 3.35Å; E242-K244 PolarHBondContact O-N 3.31Å; E242-E245 PolarHBondContact O-N 3.2Å; E242-E246 WeakPolarHBondContact O-CB 3.38Å; E242-E246 PolarHBondContact O-N 3.38Å
243A94.1Very high92.4Very high53 Ų53107.8 Ų107.844%0.43852%0.516SS..Hα-helixtrans-66.8-32.717600000113.2R239 E241 A247R239-A243 WeakPolarHBondContact O-CB 3.3Å; R239-A243 PolarHBondContact O-N 3.25Å; E241-A243 PolarHBondContact O-N 3.05Å; A243-A247 VanDerWaalsContact O-CB 3.32Å; A243-A247 WeakPolarHBondContact O-CB 3.43Å; A243-A247 PolarHBondContact O-N 3.32Å
244K94Very high92.2Very high166 Ų166104.8 Ų104.872%0.72251%0.508SS*.Hα-helixtrans-70.3-36.5173.6-176.8-179.8177.5-176.70111.4A240 E241 E242 K248A240-K244 WeakPolarHBondContact O-CB 3.47Å; A240-K244 PolarHBondContact O-N 2.96Å; A240-K244 VanDerWaalsContact O-N 3.08Å; E241-K244 CarbonylContact O-C 3.58Å; E241-K244 WeakPolarHBondContact O-CB 3.43Å; E241-K244 PolarHBondContact O-N 3.11Å; E241-K244 VanDerWaalsContact O-N 3.15Å; E242-K244 VanDerWaalsContact C-N 3.35Å; E242-K244 PolarHBondContact O-N 3.31Å; K244-K248 WeakPolarHBondContact O-CB 3.11Å; K244-K248 PolarHBondContact O-N 3.14Å; K244-K248 VanDerWaalsContact O-N 3.12Å
245E93.2Very high92Very high133 Ų133107.3 Ų107.362%0.62152%0.519SS*.Hα-helixtrans-70.6-44.5173.9-175.4162.9-153.700111.6E241 E242 A247 K248 V249E241-E245 PolarHBondContact O-N 3.04Å; E242-E245 PolarHBondContact O-N 3.2Å; E245-A247 PolarHBondContact O-N 3.05Å; E245-K248 CarbonylContact O-C 3.6Å; E245-K248 WeakPolarHBondContact O-CA 3.33Å; E245-K248 WeakPolarHBondContact O-CB 3.25Å; E245-K248 PolarHBondContact O-N 3.14Å; E245-K248 VanDerWaalsContact O-N 3.09Å; E245-V249 HydrophobicContact CG-CG2 4.38Å; E245-V249 WeakPolarHBondContact O-CG2 3.48Å; E245-V249 PolarHBondContact O-N 3.19Å
246E93.3Very high91.8Very high137 Ų137106.5 Ų106.564%0.6452%0.522SS*.Hα-helixtrans-58.2-45.8174.4-173.9179-169.600111.3E242 K248 V249 Q250E242-E246 WeakPolarHBondContact O-CB 3.38Å; E242-E246 PolarHBondContact O-N 3.38Å; E246-K248 VanDerWaalsContact C-N 3.3Å; E246-K248 PolarHBondContact O-N 3.36Å; E246-V249 PolarHBondContact O-N 3.48Å; E246-Q250 VanDerWaalsContact O-CB 3.31Å; E246-Q250 WeakPolarHBondContact O-CB 3.47Å; E246-Q250 PolarHBondContact O-N 2.81Å
247A93.3Very high91.5Very high54 Ų54108.5 Ų108.545%0.44653%0.53SS..Hα-helixtrans-61.2-3717500000112.7A243 E245 M251A243-A247 VanDerWaalsContact O-CB 3.32Å; A243-A247 WeakPolarHBondContact O-CB 3.43Å; A243-A247 PolarHBondContact O-N 3.32Å; E245-A247 PolarHBondContact O-N 3.05Å; A247-M251 WeakPolarHBondContact O-CB 3.03Å; A247-M251 PolarHBondContact O-N 2.65Å
248K93.9Very high91Very high149 Ų149110.8 Ų110.865%0.64854%0.539SS*.Hα-helixtrans-68.7-43.6174.9-176-176.5176.7-173.20111.7K244 E245 E246 M251 V252K244-K248 WeakPolarHBondContact O-CB 3.11Å; K244-K248 PolarHBondContact O-N 3.14Å; K244-K248 VanDerWaalsContact O-N 3.12Å; E245-K248 CarbonylContact O-C 3.6Å; E245-K248 WeakPolarHBondContact O-CA 3.33Å; E245-K248 WeakPolarHBondContact O-CB 3.25Å; E245-K248 PolarHBondContact O-N 3.14Å; E245-K248 VanDerWaalsContact O-N 3.09Å; E246-K248 VanDerWaalsContact C-N 3.3Å; E246-K248 PolarHBondContact O-N 3.36Å; K248-M251 WeakPolarHBondContact O-CB 3.47Å; K248-M251 PolarHBondContact O-N 2.96Å; K248-V252 WeakPolarHBondContact O-CG2 3.49Å; K248-V252 PolarHBondContact O-N 3.03Å
249V95.3Very high90.3Very high76 Ų76109.4 Ų109.446%0.46154%0.538SS..Hα-helixtrans-63.6-44.6176.3169.40000110.6E245 E246 M251 V252 I253E245-V249 HydrophobicContact CG-CG2 4.38Å; E245-V249 WeakPolarHBondContact O-CG2 3.48Å; E245-V249 PolarHBondContact O-N 3.19Å; E246-V249 PolarHBondContact O-N 3.48Å; V249-M251 VanDerWaalsContact C-N 3.33Å; V249-M251 PolarHBondContact O-N 3.19Å; V249-V252 PolarHBondContact O-N 3.02Å; V249-I253 HydrophobicContact CG1-CD1 3.74Å; V249-I253 HydrophobicContact CG1-CG1 4.46Å; V249-I253 WeakPolarHBondContact O-CG1 3.34Å; V249-I253 PolarHBondContact O-N 2.91Å
250Q93.2Very high89.5Confident135 Ų135108.3 Ų108.363%0.63154%0.538SS*.Hα-helixtrans-61.9-39.4176.4-172.3174.175.900111.9E246 I253 E254E246-Q250 VanDerWaalsContact O-CB 3.31Å; E246-Q250 WeakPolarHBondContact O-CB 3.47Å; E246-Q250 PolarHBondContact O-N 2.81Å; Q250-I253 PolarHBondContact O-N 2.83Å; Q250-E254 WeakPolarHBondContact O-CB 3.23Å; Q250-E254 PolarHBondContact O-N 3.27Å
251M90.8Very high88.4Confident130 Ų130111.6 Ų111.664%0.6454%0.543SS*.Hα-helixtrans-62-44173.6-172.3-173-58.800112.3A247 K248 V249 E254 Q255A247-M251 WeakPolarHBondContact O-CB 3.03Å; A247-M251 PolarHBondContact O-N 2.65Å; K248-M251 WeakPolarHBondContact O-CB 3.47Å; K248-M251 PolarHBondContact O-N 2.96Å; V249-M251 VanDerWaalsContact C-N 3.33Å; V249-M251 PolarHBondContact O-N 3.19Å; M251-E254 PolarHBondContact O-N 3.45Å; M251-Q255 WeakPolarHBondContact O-CB 3.28Å; M251-Q255 PolarHBondContact O-N 2.85Å
252V89.8Confident87.2Confident88 Ų88114.9 Ų114.953%0.53356%0.555SS.*Hα-helixtrans-65.6-41.8178.1170.80000111.6K248 V249 Q255 S256K248-V252 WeakPolarHBondContact O-CG2 3.49Å; K248-V252 PolarHBondContact O-N 3.03Å; V249-V252 PolarHBondContact O-N 3.02Å; V252-Q255 PolarHBondContact O-N 3.32Å; V252-S256 WeakPolarHBondContact O-CB 3.33Å; V252-S256 PolarHBondContact O-N 2.89Å
253I89.7Confident85.6Confident112 Ų112116 Ų11657%0.57457%0.565SS**Hα-helixtrans-64.1-44.6176.8-68.2167.7000110.9V249 Q250 S256 R257V249-I253 HydrophobicContact CG1-CD1 3.74Å; V249-I253 HydrophobicContact CG1-CG1 4.46Å; V249-I253 WeakPolarHBondContact O-CG1 3.34Å; V249-I253 PolarHBondContact O-N 2.91Å; Q250-I253 PolarHBondContact O-N 2.83Å; I253-S256 PolarHBondContact O-N 3.09Å; I253-R257 WeakPolarHBondContact O-CB 3.19Å; I253-R257 PolarHBondContact O-N 3.34Å
254E88.1Confident84Confident74 Ų74120.9 Ų120.935%0.34658%0.577SS.*Hα-helixtrans-68.1-34.1177.6176.560.9-172.500112.3Q250 M251 R258Q250-E254 WeakPolarHBondContact O-CB 3.23Å; Q250-E254 PolarHBondContact O-N 3.27Å; M251-E254 PolarHBondContact O-N 3.45Å; E254-R258 VanDerWaalsContact O-CG 3.27Å; E254-R258 WeakPolarHBondContact O-CG 3.44Å; E254-R258 PolarHBondContact O-N 3.16Å; E254-R258 IonicContact OE1-CZ 3.37Å; E254-R258 IonicContact OE1-NE 2.65Å; E254-R258 PolarHBondContact OE1-NE 3.3Å; E254-R258 IonicContact OE1-NH2 3.1Å; E254-R258 PolarHBondContact OE1-NH2 3.29Å
255Q85Confident82.2Confident101 Ų101118 Ų11847%0.47258%0.577SS.*Hα-helixtrans-64.3-51.6171.9179.3174.9-16.800111.3M251 V252 R257 R258 E259M251-Q255 WeakPolarHBondContact O-CB 3.28Å; M251-Q255 PolarHBondContact O-N 2.85Å; V252-Q255 PolarHBondContact O-N 3.32Å; Q255-R257 VanDerWaalsContact C-N 3.28Å; Q255-R257 PolarHBondContact O-N 2.95Å; Q255-R258 WeakPolarHBondContact O-CB 3.43Å; Q255-R258 PolarHBondContact O-N 3.09Å; Q255-E259 VanDerWaalsContact CG-OE1 3.29Å; Q255-E259 WeakPolarHBondContact CG-OE1 3.45Å; Q255-E259 PolarHBondContact NE2-OE1 3.38Å; Q255-E259 PolarHBondContact O-N 3.39Å
256S84.9Confident80.1Confident60 Ų60114.3 Ų114.342%0.4258%0.575SS.*Hα-helixtrans-57.1-41.6178.6178.20000111.9V252 I253 R258 E259 E260V252-S256 WeakPolarHBondContact O-CB 3.33Å; V252-S256 PolarHBondContact O-N 2.89Å; I253-S256 PolarHBondContact O-N 3.09Å; S256-R258 VanDerWaalsContact C-N 3.3Å; S256-R258 PolarHBondContact O-N 3.26Å; S256-E259 PolarHBondContact O-N 3.35Å; S256-E260 PolarHBondContact O-N 3.48Å
257R86.9Confident77.7Confident161 Ų161116.8 Ų116.861%0.60858%0.584SS**Hα-helixtrans-60.8-34.5174.7-176.9177.9179.8155.31.9113.5I253 Q255 Q261I253-R257 WeakPolarHBondContact O-CB 3.19Å; I253-R257 PolarHBondContact O-N 3.34Å; Q255-R257 VanDerWaalsContact C-N 3.28Å; Q255-R257 PolarHBondContact O-N 2.95Å; R257-Q261 WeakPolarHBondContact O-CG 3.25Å
258R81.6Confident75.5Confident159 Ų159123 Ų12360%0.660%0.603SS**Hα-helixtrans-76.2-32.7177.5-72.3170.2-175.6-1593.3112.7E254 Q255 S256E254-R258 VanDerWaalsContact O-CG 3.27Å; E254-R258 WeakPolarHBondContact O-CG 3.44Å; E254-R258 PolarHBondContact O-N 3.16Å; E254-R258 IonicContact OE1-CZ 3.37Å; E254-R258 IonicContact OE1-NE 2.65Å; E254-R258 PolarHBondContact OE1-NE 3.3Å; E254-R258 IonicContact OE1-NH2 3.1Å; E254-R258 PolarHBondContact OE1-NH2 3.29Å; Q255-R258 WeakPolarHBondContact O-CB 3.43Å; Q255-R258 PolarHBondContact O-N 3.09Å; S256-R258 VanDerWaalsContact C-N 3.3Å; S256-R258 PolarHBondContact O-N 3.26Å
259E77.5Confident72.9Confident103 Ų103121.4 Ų121.448%0.48161%0.611SS.*Hα-helixtrans-69.2-47.1175.2-71168.4-170.100110.4Q255 S256 Q261 K262Q255-E259 VanDerWaalsContact CG-OE1 3.29Å; Q255-E259 WeakPolarHBondContact CG-OE1 3.45Å; Q255-E259 PolarHBondContact NE2-OE1 3.38Å; Q255-E259 PolarHBondContact O-N 3.39Å; S256-E259 PolarHBondContact O-N 3.35Å; E259-Q261 PolarHBondContact O-N 3.04Å; E259-Q261 VanDerWaalsContact O-N 3.1Å; E259-K262 PolarHBondContact O-N 3.21Å
260E75.2Confident70.5Confident108 Ų108124 Ų12451%0.50563%0.626SS.*Hα-helixtrans-54.3-32.2175.1-96.9-154-143.200114.7S256 K264S256-E260 PolarHBondContact O-N 3.48Å; E260-K264 WeakPolarHBondContact O-CD 3.37Å; E260-K264 WeakPolarHBondContact O-CG 3.31Å; E260-K264 IonicContact OE2-NZ 2.58Å; E260-K264 PolarHBondContact OE2-NZ 3.28Å
261Q69.6Low68.1Low133 Ų133122.1 Ų122.162%0.62163%0.628SS**Hα-helixtrans-78.3-24.6179.9-73.7-171.4-5.200113.5R257 E259R257-Q261 WeakPolarHBondContact O-CG 3.25Å; E259-Q261 PolarHBondContact O-N 3.04Å; E259-Q261 VanDerWaalsContact O-N 3.1Å
262K67.4Low65.7Low163 Ų163123.6 Ų123.671%0.70964%0.639SS**Hα-helixtrans-70.2-45.5175.2-87.2-179.3170.5177.50112E259 K264 S265E259-K262 PolarHBondContact O-N 3.21Å; K262-K264 PolarHBondContact O-N 3.36Å; K262-S265 PolarHBondContact O-N 2.89Å; K262-S265 PolarHBondContact O-OG 3.03Å; K262-S265 VanDerWaalsContact O-OG 3.08Å
263D60.4Low63.5Low141 Ų141126.9 Ų126.975%0.75465%0.652SS**Hα-helixtrans-71.3-21.1-172-69-19.6000113.4
264K61Low61.5Low156 Ų156126.7 Ų126.768%0.67866%0.658SS**THydrogen-bonded Turntrans-82.5-7.6-178.6-69.6170.4-175170.80114.1E260 K262E260-K264 WeakPolarHBondContact O-CD 3.37Å; E260-K264 WeakPolarHBondContact O-CG 3.31Å; E260-K264 IonicContact OE2-NZ 2.58Å; E260-K264 PolarHBondContact OE2-NZ 3.28Å; K262-K264 PolarHBondContact O-N 3.36Å
265S55.7Low59.3Low104 Ų104128.9 Ų128.973%0.72768%0.681SS**THydrogen-bonded Turntrans-103.34-177.760.40000116K262K262-S265 PolarHBondContact O-N 2.89Å; K262-S265 PolarHBondContact O-OG 3.03Å; K262-S265 VanDerWaalsContact O-OG 3.08Å
266G49.9Very low57.3Low57 Ų57127.3 Ų127.359%0.58869%0.693SS**  trans-12075.6-170.300000116.2
267K43.4Very low55.5Low189 Ų189129.9 Ų129.982%0.82271%0.711SS**  trans-164.8140.7165.9-106.4141.3-172.8168.90113.3
268H46.8Very low53.5Low184 Ų184127.1 Ų127.185%0.85272%0.716SS**  trans67.1144.8-179-47.8-79.4000115
269S39.6Very low51.7Low116 Ų116125 Ų12581%0.81173%0.725SS**  cis-142.2-174.2-0.4-155.80000112.1
270V43.9Very low49.6Very low129 Ų129124.1 Ų124.178%0.78274%0.736SS**  trans-112159.8-156.8175.50000114.8
271S42.8Very low47.8Very low96 Ų96127.9 Ų127.967%0.67175%0.751SS**  trans73.1113.4160.754.80000120.9
272N40.8Very low46.2Very low161 Ų161129.3 Ų129.386%0.86176%0.758SS**  -167.1161.197.8-96.6-20.6000113.5
273I42.9Very low45Very low158 Ų158127 Ų12781%0.8176%0.759SS**  trans-150.6161.2-165.4-71.7175.2000106.7
274P47.4Very low44.2Very low107 Ų107125.9 Ų125.970%0.69576%0.759SS**  cis-126.2179.3-5.129.3-8.9000115
275S43Very low43Very low120 Ų120123.7 Ų123.784%0.83976%0.764SS**  152.2138.7116.4-66.80000114.7
276G43.5Very low41.7Very low69 Ų69124.8 Ų124.871%0.71177%0.77SS**  trans12591.2147.300000120.5
277S46.7Very low41Very low114 Ų114127.7 Ų127.780%0.79778%0.782SS**  trans67.9152.4147.566.60000122.5
278S44.9Very low40.6Very low102 Ų102124.3 Ų124.371%0.71378%0.779SS**  trans55.3115172.545.40000117.9
279S42.8Very low39.9Very low115 Ų115121.5 Ų121.580%0.80478%0.78SS**  cis76.113048.178.50000115.2
280A34.6Very low39.6Very low85 Ų85119.2 Ų119.270%0.70277%0.774SS**  cis-166.3157.5-17.600000109.4
281F37.2Very low39Very low187 Ų187116.4 Ų116.482%0.8277%0.772SS**  trans68.7114.7174.8-77.7-85.3000119.7
282E35.2Very low38.9Very low163 Ų163119.8 Ų119.876%0.76278%0.781SS**  trans30.6150.6132.3-71.5-171.211500122.7
283P43.2Very low38.8Very low113 Ų113120.5 Ų120.573%0.73478%0.777SS**  cis-122.6176.225.737.5-21.7000115.6
284P42.3Very low38.8Very low118 Ų118120.8 Ų120.877%0.76678%0.78SS**PPolyproline II helixtrans-58.8145.7174.222.6-34.9000113.6
285S36.2Very low38.4Very low111 Ų111123.8 Ų123.878%0.77679%0.79SS**PPolyproline II helixtrans-77.9140.7-168.547.60000114.9S287S285-S287 PolarHBondContact O-N 3.46Å
286C28.3Very low38.5Very low126 Ų126123.8 Ų123.885%0.85178%0.784SS**PPolyproline II helixtrans-60.4126.9168.7-58.70000111.1
287S36Very low38.2Very low119 Ų119127.2 Ų127.283%0.83279%0.787SS**PPolyproline II helixtrans-79.3124.4169.9-62.50000110.1S285S285-S287 PolarHBondContact O-N 3.46Å
288P34.1Very low37.7Very low117 Ų117128.9 Ų128.976%0.7679%0.792SS**PPolyproline II helixtrans-89.5161.8-179.335.3-35.2000113.2
289S33.2Very low37.4Very low125 Ų125128.6 Ų128.687%0.87479%0.79SS**SBendtrans78.6124.1158.3-156.60000119.7
290G32.6Very low37.1Very low68 Ų68131.3 Ų131.370%0.70180%0.795SS**  trans85.361132.700000119.9
291G30.4Very low37.2Very low70 Ų70132.8 Ų132.872%0.72280%0.8SS**  trans-10746.4174.500000115.9F293G291-F293 VanDerWaalsContact C-N 3.34Å; G291-F293 PolarHBondContact O-N 3.29Å
292L42.1Very low37.3Very low168 Ų168131 Ų13188%0.8880%0.804SS**  trans-8364-174.8-68176.8000113.8
293F38.1Very low37.6Very low175 Ų175127.1 Ų127.177%0.76880%0.8SS**  trans-129.85.7-179.7-72.2-66.8000116G291G291-F293 VanDerWaalsContact C-N 3.34Å; G291-F293 PolarHBondContact O-N 3.29Å
294N43.1Very low37.6Very low164 Ų164127.4 Ų127.488%0.87780%0.801SS**SBendtrans-107.420-177.1-86.2-2.8000115
295L39.6Very low37.5Very low170 Ų170127.1 Ų127.189%0.8981%0.809SS**  trans-155.775.4171-122.1166000111.5
296V44.3Very low37.9Very low121 Ų121130 Ų13073%0.73381%0.81SS**SBendtrans-125.2139.6157.456.10000106.6T298V296-T298 PolarHBondContact O-N 3.09Å
297D37.9Very low39Very low141 Ų141131.7 Ų131.775%0.75481%0.809SS**  trans-52.7125.5-157-57.9-87.4000115.4S299D297-S299 PolarHBondContact O-N 2.88Å
298T36.2Very low39.7Very low149 Ų149131.4 Ų131.491%0.91481%0.805SS**  trans-70.977.5164.1-54.60000108.8V296V296-T298 PolarHBondContact O-N 3.09Å
299S38.6Very low40.5Very low96 Ų96129.2 Ų129.267%0.67179%0.787SS**  trans-155.3125.5174.9-890000112.9D297D297-S299 PolarHBondContact O-N 2.88Å
300L36.3Very low41.9Very low172 Ų172128.7 Ų128.790%0.90178%0.781SS**SBendtrans71.1132.5168.3-50.8176.1000118
301S36.2Very low43.4Very low116 Ų116136.5 Ų136.581%0.81179%0.789SS**  trans72.571.7160.3-145.10000119.4
302V39.2Very low44.3Very low150 Ų150136.9 Ų136.991%0.90978%0.78SS**  trans-123.986.2141-178.20000108.9
303A41.8Very low44.5Very low81 Ų81133.1 Ų133.167%0.66977%0.774SS**  trans-92136.2163.100000108.9A305A303-A305 PolarHBondContact O-N 3.33Å
304P44.1Very low44.9Very low118 Ų118130.9 Ų130.977%0.76678%0.777SS**  trans-63.4129.1176.7-2233.5000111.6H306P304-H306 PolarHBondContact O-N 3.49Å
305A39.6Very low44.9Very low112 Ų112131 Ų13193%0.92678%0.776SS**SBendtrans-76.760.2-176.900000113.4A303A303-A305 PolarHBondContact O-N 3.33Å
306H45.3Very low44.8Very low173 Ų173127.8 Ų127.880%0.80177%0.774SS**  trans-158.770163.9-172.5-80.1000111.5P304P304-H306 PolarHBondContact O-N 3.49Å
307L50.5Low45Very low160 Ų160128.4 Ų128.484%0.83878%0.778SS**  trans-145.3131.6161-90.1172.7000108.1
308P51.2Low45.1Very low114 Ų114127.3 Ų127.374%0.7478%0.779SS**  trans-69.8144.3175.929.5-33.8000110.9
309D50.3Low45Very low71 Ų71127.6 Ų127.638%0.3878%0.775SS.*  trans-57.9124.7174.115939.4000111W311 S312D309-W311 PolarHBondContact O-N 2.82Å; D309-W311 VanDerWaalsContact O-N 3.12Å; D309-W311 PolarHBondContact OD1-N 3.16Å; D309-S312 PolarHBondContact O-N 3.49Å; D309-S312 WeakPolarHBondContact OD2-CB 3.39Å; D309-S312 PolarHBondContact OD2-N 3.25Å; D309-S312 VanDerWaalsContact OD2-N 3.07Å; D309-S312 PolarHBondContact OD2-OG 3.37Å
310P63Low45.2Very low114 Ų114128.8 Ų128.874%0.7478%0.783SS**THydrogen-bonded Turntrans-66.9-9.4-179.329.1-36.6000114.4
311W63.4Low45.3Very low232 Ų232126.1 Ų126.188%0.87978%0.776SS**THydrogen-bonded Turntrans-98.2-3.1172.6-64.5-67.6000114.2D309D309-W311 PolarHBondContact O-N 2.82Å; D309-W311 VanDerWaalsContact O-N 3.12Å; D309-W311 PolarHBondContact OD1-N 3.16Å
312S50.1Low45.3Very low77 Ų77128 Ų12854%0.53878%0.776SS.*SBendtrans-90.8112.7177.7-76.20000111.4D309D309-S312 PolarHBondContact O-N 3.49Å; D309-S312 WeakPolarHBondContact OD2-CB 3.39Å; D309-S312 PolarHBondContact OD2-N 3.25Å; D309-S312 VanDerWaalsContact OD2-N 3.07Å; D309-S312 PolarHBondContact OD2-OG 3.37Å
313A46.1Very low45.3Very low90 Ų90127 Ų12774%0.74477%0.766SS**  trans-63130.1-179.500000111.9L315A313-L315 PolarHBondContact O-N 3.14Å
314P46.6Very low45Very low128 Ų128129 Ų12983%0.83177%0.765SS**  trans-76.8110.3-177.429.7-33.9000111.4
315L42.1Very low44.7Very low166 Ų166129.2 Ų129.287%0.86976%0.76SS**  trans-77.4141.7167.3-69.6175.6000110.7A313A313-L315 PolarHBondContact O-N 3.14Å
316A38.4Very low44.6Very low102 Ų102129.5 Ų129.584%0.84375%0.746SS**  trans-74.5145.8-17600000112.8
317V48.5Very low44.4Very low134 Ų134127.8 Ų127.881%0.81274%0.742SS**  trans-108.7128.9173.7-169.70000108.9
318P39.7Very low43.8Very low118 Ų118126.4 Ų126.477%0.76674%0.736SS**  trans-82144.6-17631.5-34.8000113.4
319N34.1Very low43.2Very low156 Ų156126.1 Ų126.183%0.83473%0.732SS**  trans-72.8142.8169.9-71.1-34.9000111.9
320S42.7Very low42.7Very low120 Ų120127.6 Ų127.684%0.83975%0.748SS**  -176.2153.9117.1-78.30000112.7
321P39.3Very low41.7Very low117 Ų117127.7 Ų127.776%0.7675%0.752SS**  trans-116.4172.5-167.242.3-33.1000114.9
322L36.4Very low40.7Very low156 Ų156122.5 Ų122.582%0.81775%0.751SS**  trans-157.9127153-141.972.3000115.2
323N37.3Very low40.3Very low128 Ų128124.5 Ų124.568%0.68476%0.762SS**  trans51.9137.7142.5-72.615.6000125.7
324N36.8Very low40Very low124 Ų124125.6 Ų125.666%0.66376%0.764SS**  trans71.9145.9142-69.942000118.5
325D36.9Very low39.8Very low121 Ų121126 Ų12665%0.64776%0.764SS**  cis-159.4173.53.8-128.8-27000114.7
326N38.7Very low39.6Very low118 Ų118123.1 Ų123.163%0.63176%0.758SS**  trans72.8111.2155.5-69.8-50.2000122.6
327N40.2Very low39.9Very low137 Ų137127.6 Ų127.673%0.73376%0.759SS**  65.9148.9126.1-49.4-29.6000120.2
328N38.8Very low39.5Very low132 Ų132128.3 Ų128.371%0.70676%0.758SS**  cis-155.4162.119.3-147.85.8000113.8
329T38.4Very low39.2Very low107 Ų107129.5 Ų129.566%0.65676%0.758SS**  trans28.7113.4156.351.90000120.5
330S39.1Very low39.5Very low103 Ų103127.9 Ų127.972%0.7275%0.754SS**  86.4107.350.2760000117.3
331S42.4Very low39.3Very low116 Ų116129.2 Ų129.281%0.81175%0.752SS**  trans-175.9107.7140.144.30000116.6
332S43.1Very low39.3Very low123 Ų123131 Ų13186%0.8675%0.753SS**  trans72151.7142-55.10000123.4
333P41.5Very low39.3Very low118 Ų118129.2 Ų129.277%0.76675%0.751SS**  trans-135.9-159.8-164.443.2-22.2000115.6
334S39.9Very low38.9Very low113 Ų113131.9 Ų131.979%0.7976%0.759SS**  trans95.6142.8178.6-40.10000113.6
335T42.4Very low38.8Very low136 Ų136130.3 Ų130.383%0.83476%0.758SS**  cis-130.9174.426.850.10000115
336S38.2Very low38.7Very low106 Ų106131 Ų13174%0.74177%0.767SS**  trans-110.5151-167.1-44.70000114.6
337F44.1Very low38.7Very low197 Ų197133.9 Ų133.986%0.86477%0.774SS**  trans-144.6108.6153.7-81.5-66.9000113.8
338N40.2Very low38.6Very low149 Ų149132.5 Ų132.580%0.79777%0.773SS**  trans40.280.7143.4-57.9-3.8000121.5
339N32.2Very low38.4Very low142 Ų142134.2 Ų134.276%0.75978%0.781SS**  18.2126.4117.1-174.428.4000119.9
340T40.5Very low38.7Very low122 Ų122136.5 Ų136.575%0.74879%0.788SS**  -166.5122.6128.8-72.50000112.4
341N38.2Very low38.9Very low149 Ų149136.2 Ų136.280%0.79778%0.783SS**  trans51.9111157.2-63.1-6000123.8
342I39.2Very low39Very low153 Ų153138.9 Ų138.979%0.78579%0.786SS**  trans-60.3148152.4-75.4160.4000110
343P36.8Very low39.1Very low120 Ų120139.9 Ų139.978%0.77978%0.782SS**  -140.9167.563.339.3-19.8000119.6
344Q30.2Very low39.5Very low183 Ų183138.5 Ų138.586%0.85577%0.768SS**  trans-70.8145.3179.5-59.5151.4-73.400112
345S34.3Very low40.1Very low92 Ų92138.8 Ų138.864%0.64377%0.768SS**  trans-139.2127.7153.556.50000109.8
346T33.9Very low41Very low135 Ų135142.3 Ų142.383%0.82877%0.766SS**PPolyproline II helixtrans-84.3121.2178.8-54.80000109
347F38.6Very low41.4Very low179 Ų179141.8 Ų141.879%0.78576%0.762SS**PPolyproline II helixtrans-86.4130.5167.2-74.7-80.2000110
348P39.1Very low41.1Very low108 Ų108140 Ų14070%0.70176%0.76SS**PPolyproline II helixtrans-77.2162.4-179.332.7-35.8000112.1
349L34.4Very low41.3Very low167 Ų167142.5 Ų142.587%0.87476%0.764SS**PPolyproline II helixtrans-58.5137.7161.5-92.161.9000109.4P351L349-P351 WeakPolarHBondContact O-CD 3.39Å
350I44.5Very low41.7Very low156 Ų156142.6 Ų142.680%0.877%0.765SS**PPolyproline II helixtrans-81.4118.8171.5-59.8170.7000107.7
351P44.4Very low41.8Very low97 Ų97145.4 Ų145.463%0.6377%0.769SS**PPolyproline II helixtrans-65.8142.1169-16.631.9000110L349 D353L349-P351 WeakPolarHBondContact O-CD 3.39Å; P351-D353 PolarHBondContact O-N 3.34Å
352I43Very low41.9Very low171 Ų171143 Ų14388%0.87776%0.762SS**  trans-82.596.9166.4-63.2172.7000106.5
353D45.6Very low41.9Very low144 Ų144143.5 Ų143.577%0.7777%0.766SS**  trans-65.9130.5171-83.2-53.1000110.5P351 P355P351-D353 PolarHBondContact O-N 3.34Å; D353-P355 WeakPolarHBondContact O-CD 3.4Å
354D50Low41.9Very low89 Ų89145 Ų14548%0.47677%0.766SS.*  trans-74118.5175164.539.8000110.4W356 S357D354-W356 PolarHBondContact O-N 3.02Å; D354-W356 PolarHBondContact OD1-N 3.32Å; D354-S357 PolarHBondContact OD2-OG 2.81Å
355P53.5Low42.2Very low119 Ų119141.1 Ų141.177%0.77376%0.756SS**THydrogen-bonded Turntrans-71.34.9-175.729-35000115D353D353-P355 WeakPolarHBondContact O-CD 3.4Å
356W61.1Low42.2Very low211 Ų211141.5 Ų141.580%0.79976%0.755SS**THydrogen-bonded Turntrans-106.3-5.6-176.3-64.990.2000115.2D354 L358D354-W356 PolarHBondContact O-N 3.02Å; D354-W356 PolarHBondContact OD1-N 3.32Å; W356-L358 PolarHBondContact O-N 3.33Å
357S46.3Very low42.5Very low94 Ų94144.9 Ų144.966%0.65775%0.754SS**  trans-84.194.2-175.1-77.90000114.2D354 K359D354-S357 PolarHBondContact OD2-OG 2.81Å; S357-K359 PolarHBondContact O-N 2.93Å
358L36.4Very low42.4Very low159 Ų159141.2 Ų141.283%0.83275%0.751SS**  trans-67.7128.2166.7-74.192.7000111.5W356W356-L358 PolarHBondContact O-N 3.33Å
359K45.7Very low42.2Very low203 Ų203142.2 Ų142.288%0.88376%0.755SS**  trans-134.7142.9164.2-131.287.9175-167.40110S357S357-K359 PolarHBondContact O-N 2.93Å
360N41.2Very low42.2Very low144 Ų144139.6 Ų139.677%0.7775%0.746SS**  trans-103.8156.4-167.4-80.7-23.1000114
361H42.3Very low41.8Very low181 Ų181139.3 Ų139.384%0.83875%0.746SS**  trans78155.6156.6-91-118.5000119.4
362P40.1Very low41.3Very low99 Ų99141.2 Ų141.264%0.64376%0.756SS**  trans-133.1175.3-142.843.6-28.3000116.2
363N39Very low40.8Very low163 Ų163138.8 Ų138.887%0.87275%0.754SS**  trans-163.1159.2138.6-109.5-28.6000113.2
364I36Very low40.3Very low151 Ų151138.5 Ų138.577%0.77475%0.753SS**  trans-140.2153.9-176.6-32.2169.9000104
365P36.8Very low39.7Very low101 Ų101143.4 Ų143.466%0.65677%0.773SS**  cis-153.9172.436.843.5-21.5000121
366T35.1Very low38.9Very low101 Ų101144.3 Ų144.362%0.6277%0.77SS**  trans64.8149.5153.538.90000118.5
367Y40.3Very low37.7Very low205 Ų205145.6 Ų145.680%0.80478%0.775SS**  cis-142.5162.426.2-71.1-92.9000114.6
368S36.1Very low37.1Very low102 Ų102149 Ų14971%0.71379%0.786SS**  trans75.2106150.6-58.80000122.1
369T33.5Very low36.8Very low129 Ų129148.4 Ų148.479%0.79178%0.782SS**  41130.71282.60000119.8
370T36.2Very low36.1Very low112 Ų112146 Ų14669%0.68777%0.774SS**  cis-152.6156.238.553.80000114.1
371N34.5Very low35.7Very low151 Ų151143.3 Ų143.381%0.80777%0.766SS**  trans44.2123.8151.6-63.76.4000119.3
372T34.2Very low35.2Very low137 Ų137140.4 Ų140.484%0.8476%0.762SS**  cis-143.2146.811.148.60000110.7
373S33.8Very low35Very low119 Ų119143.7 Ų143.783%0.83277%0.773SS**  trans-100.7162.3-170.352.30000115.7
374D34Very low34.7Very low138 Ų138139.6 Ų139.674%0.73877%0.769SS**  trans-86149.7-173.1-38.8-107.7000115.4I376D374-I376 HydrophobicContact CB-CD1 4.47Å; D374-I376 HydrophobicContact CB-CG1 4.41Å
375E36.9Very low34.7Very low193 Ų193137 Ų13790%0.90277%0.771SS**  trans-144.3130.1140.5-69.1-166.2138.800106.1
376I37.3Very low34.6Very low137 Ų137137.8 Ų137.870%0.70377%0.773SS**  cis75.586.929.1-50-174.2000113.5D374D374-I376 HydrophobicContact CB-CD1 4.47Å; D374-I376 HydrophobicContact CB-CG1 4.41Å
377W35.9Very low34.9Very low238 Ų238140.2 Ų140.290%0.90278%0.782SS**  trans28108.9154.6-57.398.9000119.1
378N34.1Very low34.8Very low167 Ų167135.6 Ų135.689%0.89378%0.777SS**  trans-148.9162.6139.3-121.5-43.7000113.7
379L29.8Very low34.7Very low145 Ų145135.7 Ų135.776%0.75978%0.778SS**  trans-92.2-177177-104.369.5000111.4
380E31.4Very low34.9Very low154 Ų154136.7 Ų136.772%0.7278%0.784SS**  trans85.181.4148.5-13953.2-134.400119.2
381S32.5Very low35Very low86 Ų86135.8 Ų135.860%0.60178%0.782SS**  77.1135.9116.3-65.80000123.7
382T32Very low34.9Very low120 Ų120136 Ų13674%0.73678%0.784SS**  trans94.9146.9139.6-62.10000120.1
383L35.2Very low35.2Very low169 Ų169135.4 Ų135.489%0.88578%0.78SS**  trans75.5129.8-177.8-46.4-176.1000116.7
384G32.5Very low35.1Very low77 Ų77136.5 Ų136.579%0.79478%0.776SS**  cis139.5110.2-19.900000115.9
385A36.7Very low35.2Very low97 Ų97135.5 Ų135.580%0.80278%0.775SS**  trans-172.7153.8162.500000112.2
386T35.5Very low35.1Very low116 Ų116135 Ų13571%0.71277%0.773SS**  cis-167114.6-23.2-800000110.7
387L41.7Very low35Very low152 Ų152133.2 Ų133.280%0.79677%0.772SS**  trans57.2176.2152.4-61.2173.6000120.9
388P37.9Very low35Very low109 Ų109127.5 Ų127.571%0.70876%0.764SS**  cis-122.2141.4-36.322.7-2.7000112.7
389S33.4Very low34.9Very low104 Ų104126.7 Ų126.773%0.72776%0.758SS**  77110.575.9-510000116.8
390T37Very low35Very low149 Ų149124.6 Ų124.691%0.91476%0.756SS**  trans-156.7172.8159.83.30000109.9
391S38Very low35Very low94 Ų94122.5 Ų122.566%0.65776%0.758SS**  trans-151.4137.9-146.355.30000117.2
392N34.1Very low35Very low156 Ų156126.9 Ų126.983%0.83477%0.769SS**  trans65.6162.8159.2-47-21.6000116
393T38.8Very low35Very low124 Ų124128.6 Ų128.676%0.76177%0.768SS**  cis-140.3174.410.450.40000113.2
394N31.7Very low35Very low142 Ų142128.5 Ų128.576%0.75976%0.763SS**  trans-25.4159.1150.4-36.3-25.5000115.6
395T37.3Very low34.9Very low117 Ų117132.8 Ų132.872%0.71876%0.762SS**  cis-159.5165.641.550.40000114.3
396E34.8Very low34.9Very low181 Ų181135.4 Ų135.485%0.84677%0.768SS**  trans30.1147.2135.2-66.3-17815800122.4
397S34.4Very low34.7Very low100 Ų100137.1 Ų137.170%0.69977%0.773SS**  cis-171.6-172.38.643.50000112.5
398V36.6Very low34.4Very low119 Ų119137.8 Ų137.872%0.72178%0.777SS**  trans76.8118.5164.4-171.90000116.1
399I32Very low34.1Very low149 Ų149135.2 Ų135.276%0.76477%0.77SS**  cis82.694.223.6-50.8166.5000113.2
400S32.3Very low34.3Very low102 Ų102136.3 Ų136.371%0.71378%0.778SS**  -176.616177.1-91.60000108.9
401S30.7Very low34.1Very low109 Ų109135.9 Ų135.976%0.76277%0.77SS**  cis78.790.822.7-59.10000117.3
402Q33.5Very low34.1Very low178 Ų178138.3 Ų138.383%0.83278%0.775SS**  trans-154.6130.9144.1-135.9156.7-2.500114.7
403H31.6Very low34.2Very low157 Ų157137.4 Ų137.473%0.72777%0.77SS**  trans-86.3146.5165.6-105.6-112.2000109.3
404H35.7Very low34Very low167 Ų167137.4 Ų137.477%0.77377%0.765SS**  trans-142.8130.3149.2-85-73.6000111.4
405H29.5Very low34.5Very low167 Ų167138.6 Ų138.677%0.77377%0.772SS**  trans-98.1140.1163-68.3-54.5000109.1
406T35.7Very low34.5Very low151 Ų151140.1 Ų140.193%0.92678%0.776SS**  trans-137.9151.7151.744.90000108.7
407N32Very low34.7Very low152 Ų152134.4 Ų134.481%0.81377%0.765SS**  trans-124.7129.6-170-164.912.7000109.5
408N35.2Very low34.8Very low167 Ų167136.4 Ų136.489%0.89376%0.763SS**  trans169.1143.3163.4-90.4-21000107.7
409G32Very low35Very low54 Ų54139.9 Ų139.956%0.55777%0.769SS**  cis147.7134.2-3.700000110.7
410S38.3Very low35.5Very low127 Ų127138.7 Ų138.789%0.88876%0.764SS**  trans67.9155.4-177.581.20000115.8
411N31.4Very low35.8Very low140 Ų140142.2 Ų142.275%0.74977%0.774SS**  cis-167.9175.9-33.8-167.23.9000107.2
412L38.6Very low35.9Very low145 Ų145144.4 Ų144.476%0.75978%0.777SS**  trans72.3142168.9-58.6129.9000115.5
413N35.9Very low35.9Very low138 Ų138138.9 Ų138.974%0.73877%0.768SS**  cis-149.9165.4-14.3-164.611.6000110.1
414N35.8Very low36.2Very low123 Ų123138.7 Ų138.766%0.65877%0.771SS**  trans-65.8157.7171.8-60-53.7000112.6
415N41.7Very low35.9Very low168 Ų168136.5 Ų136.590%0.89877%0.774SS**  trans-153132134.2-100.4-31.5000110.4
416N36.8Very low36.7Very low149 Ų149137.4 Ų137.480%0.79778%0.776SS**  trans-88.5130.3-177.4-66.9-18.7000110.8
417G39Very low36.4Very low60 Ų60136.8 Ų136.862%0.61977%0.767SS**  trans-97.981.8166.800000110.8F419G417-F419 WeakPolarHBondContact O-CE1 3.47Å
418H36.3Very low36.9Very low143 Ų143137.2 Ų137.266%0.66277%0.767SS**  trans-90.9115.7177.9-176.4109.5000109.9D420H418-D420 IonicContact CD2-OD1 2.87Å; H418-D420 IonicContact CD2-OD2 2.76Å; H418-D420 PolarHBondContact CD2-OD2 3.29Å; H418-D420 IonicContact CE1-OD1 2.76Å; H418-D420 IonicContact NE2-OD1 3.2Å; H418-D420 PolarHBondContact NE2-OD1 3.01Å; H418-D420 IonicContact NE2-OD2 3.86Å; H418-D420 PolarHBondContact NE2-OD2 3.33Å; H418-D420 VanDerWaalsContact NE2-OD2 3.07Å
419F41.8Very low36.8Very low192 Ų192135.1 Ų135.184%0.84276%0.756SS**  trans-104.793.5177.68-95.6000110.7G417G417-F419 WeakPolarHBondContact O-CE1 3.47Å
420D41.1Very low36.9Very low124 Ų124138.9 Ų138.966%0.66376%0.764SS**  trans-76.7125.5167.7-84.7-35.9000110.3H418 N422H418-D420 IonicContact CD2-OD1 2.87Å; H418-D420 IonicContact CD2-OD2 2.76Å; H418-D420 PolarHBondContact CD2-OD2 3.29Å; H418-D420 IonicContact CE1-OD1 2.76Å; H418-D420 IonicContact NE2-OD1 3.2Å; H418-D420 PolarHBondContact NE2-OD1 3.01Å; H418-D420 IonicContact NE2-OD2 3.86Å; H418-D420 PolarHBondContact NE2-OD2 3.33Å; H418-D420 VanDerWaalsContact NE2-OD2 3.07Å; D420-N422 PolarHBondContact O-N 2.85Å
421L39.7Very low36.8Very low175 Ų175141.1 Ų141.192%0.91676%0.76SS**  trans-88.391.7170.3-165.478.7000109.2
422N32.6Very low36.9Very low155 Ų155142.7 Ų142.783%0.82976%0.76SS**  trans-147.6132.2178-117.3-43.4000113.4D420D420-N422 PolarHBondContact O-N 2.85Å
423G34.4Very low37.1Very low63 Ų63140.4 Ų140.465%0.64975%0.754SS**  trans94.3145.3-169.100000112.3
424I36.3Very low37.1Very low153 Ų153140.5 Ų140.579%0.78575%0.75SS**  cis-128.3132.65.6-70.892.9000109.7K426I424-K426 HydrophobicContact CG2-CB 4.13Å; I424-K426 HydrophobicContact CG2-CD 4.45Å; I424-K426 HydrophobicContact CG2-CG 3.93Å
425S30.3Very low37.2Very low121 Ų121141.5 Ų141.585%0.84675%0.751SS**  trans-106.7108.6161.7-177.50000109.2
426K45.5Very low37Very low185 Ų185141.2 Ų141.280%0.80474%0.742SS**  trans-142104170.4-78.1-165.9176.9-177.80111.1I424I424-K426 HydrophobicContact CG2-CB 4.13Å; I424-K426 HydrophobicContact CG2-CD 4.45Å; I424-K426 HydrophobicContact CG2-CG 3.93Å
427N30.8Very low37.1Very low138 Ų138142 Ų14274%0.73874%0.741SS**  trans-45.7133.8162.3173.6-22000112.2
428I42.1Very low36.9Very low161 Ų161147 Ų14783%0.82675%0.748SS**  trans-152.1139150.1-94.6143000107.2
429N32Very low36.9Very low124 Ų124149.6 Ų149.666%0.66376%0.761SS**  trans-92177.2178.3-89.1-1000112.5
430D34.9Very low36.5Very low132 Ų132145.5 Ų145.571%0.70676%0.756SS**  trans74.2135.1152.5-68.4-52.2000117.4
431H35.2Very low36.3Very low174 Ų174146.9 Ų146.981%0.80677%0.769SS**  cis-154.4172.519.4-123.627.3000112.6
432F34.9Very low36Very low173 Ų173142.9 Ų142.976%0.75976%0.756SS**  trans-90.6-170.2174.5-145.9-133.4000109.8Q434F432-Q434 HydrophobicContact CE1-CG 4.21Å
433P41.9Very low36.2Very low97 Ų97144.1 Ų144.163%0.6375%0.754SS**  cis-150164.416.144.6-23.1000122.3
434Q36.8Very low36.5Very low140 Ų140149 Ų14965%0.65476%0.759SS**  trans67.3164.2143-76.7-179.425.200119.4F432F432-Q434 HydrophobicContact CE1-CG 4.21Å
435Q38Very low36.3Very low145 Ų145149.3 Ų149.368%0.67876%0.763SS**  cis-158.517721.5-147.7167.456.900114.8
436F37.4Very low36.5Very low162 Ų162147.3 Ų147.371%0.71175%0.754SS**  trans94.995154.6-97.8-96.9000124.1
437Q37.1Very low36.1Very low166 Ų166147.3 Ų147.378%0.77676%0.757SS**  93.6154.7123.3-155.4159.933.700122.9
438Q35.4Very low36.4Very low165 Ų165147.3 Ų147.377%0.77176%0.762SS**  trans-125.8166.6-163.3-53.8167.1-11.800112.2
439Q37Very low35.9Very low197 Ų197145.7 Ų145.792%0.92177%0.765SS**  trans-157.6155.9134-120.6168.479.300112.4
440S33Very low36.3Very low106 Ų106145.1 Ų145.174%0.74177%0.771SS**  trans-144.8148.1-168.3-48.70000112.4
441T37.1Very low36.3Very low152 Ų152145.4 Ų145.493%0.93378%0.777SS**  trans-143.8165.8159.345.30000110.4
442S33.2Very low36.4Very low92 Ų92145.4 Ų145.464%0.64378%0.782SS**  trans-141.3174.9-169.758.80000111.5
443F37.9Very low36.5Very low181 Ų181146.4 Ų146.479%0.79479%0.788SS**  175.6132.8129.5-85.9-49.9000115.4
444Q39.9Very low36.4Very low164 Ų164150.5 Ų150.577%0.76680%0.799SS**  trans65.1105.7141.3-59.2-178.240.900123.7
445N32.3Very low36.4Very low160 Ų160153.5 Ų153.586%0.85681%0.813SS**  6.8155.4113.5-86.22.8000120.1
446A34.3Very low36.3Very low80 Ų80155.7 Ų155.766%0.66182%0.824SS**  cis-172.8-173.8-4.700000112
447Q37.8Very low36.3Very low184 Ų184157.3 Ų157.386%0.8683%0.833SS**  trans81.6110.7162.7-58.9-175.2-6.500119.3
448T36.4Very low36.3Very low138 Ų138158.8 Ų158.885%0.84784%0.84SS**  -168.9139.1110.816.90000110.3
449S31.9Very low36.3Very low127 Ų127160 Ų16089%0.88885%0.846SS**  trans-155.6103.8176.5-61.20000111.1
450S39.8Very low36.5Very low113 Ų113159.2 Ų159.279%0.7984%0.842SS**  trans-163.3152.116850.50000110.7
451T35.2Very low36.9Very low137 Ų137158.9 Ų158.984%0.8484%0.836SS**  trans9370.9-178-37.80000115.9
452I38.2Very low37Very low175 Ų175160.7 Ų160.790%0.89784%0.839SS**  trans-133.686.1154.7-59.3176.9000107.3
453E36.7Very low37.7Very low193 Ų193166.4 Ų166.490%0.90285%0.846SS**  trans-152.910175.7-139.1166.8-154.700114.6
454Q38.8Very low38.4Very low183 Ų183166.8 Ų166.886%0.85585%0.848SS**SBendtrans-13992175.4-68.8-172.72.700111.2
455Q36.9Very low39.4Very low203 Ų203168.9 Ų168.995%0.94985%0.849SS**  trans167.566.2150-92.7164.527.500110.7
456Q35.9Very low41.3Very low192 Ų192165 Ų16590%0.89783%0.831SS**  trans-118.161.9165.6-71.7-168.814.800110.3
457Q36.9Very low42.7Very low195 Ų195165.6 Ų165.691%0.91183%0.828SS**  trans-157.531.7178.9-137.5155.190.900116.9
458E37.8Very low44.3Very low197 Ų197157.7 Ų157.792%0.92179%0.794SS**  trans-139.246.5175.9-150.3160.5-156.200114.9
459Q36.2Very low46.2Very low191 Ų191155.6 Ų155.689%0.89378%0.778SS**  trans-97.388.7156.7-77.8-168.43.300110.1
460Q40.6Very low48.1Very low180 Ų180157.8 Ų157.884%0.84177%0.771SS**  trans-156.9133.6163.8-122.716195.200114.6
461T41.1Very low49.8Very low99 Ų99154.6 Ų154.661%0.60775%0.745SS**  trans67.780.8170.872.50000117.7R463T461-R463 PolarHBondContact O-N 3.49Å
462L38.8Very low51.7Low190 Ų190150.4 Ų150.4100%0.99573%0.729SS**  trans-58.587.5144.1-90.3142.9000109.1
463R48.2Very low53.7Low212 Ų212150.8 Ų150.880%0.873%0.727SS**PPolyproline II helixtrans-75.6131.7173.1-68.5-165.9176-152.2-1.8109.4T461 R465T461-R463 PolarHBondContact O-N 3.49Å; R463-R465 PolarHBondContact O-N 3.21Å
464K52Low55.2Low190 Ų190147.2 Ų147.283%0.82671%0.71SS**PPolyproline II helixtrans-63.1122.2174-67.2-179.2178.2-179.30108.8T466K464-T466 PolarHBondContact O-N 3.38Å; K464-T466 VanDerWaalsContact O-N 3.11Å; K464-T466 PolarHBondContact O-OG1 3.45Å
465R62.7Low57Low208 Ų208143.3 Ų143.379%0.78569%0.692SS**PPolyproline II helixtrans-55.4116.3174.9-138.1175.5-169.1165.12.3108.4R463 D469R463-R465 PolarHBondContact O-N 3.21Å; R465-D469 VanDerWaalsContact CA-OD2 3.31Å; R465-D469 WeakPolarHBondContact CA-OD2 3.46Å; R465-D469 HydrophobicContact CG-CB 4.09Å
466T70.4Confident58.8Low79 Ų79143.2 Ų143.249%0.48569%0.688SS.*PPolyproline II helixtrans-93.7150.3-176-59.80000108.5K464 A468 D469K464-T466 PolarHBondContact O-N 3.38Å; K464-T466 VanDerWaalsContact O-N 3.11Å; K464-T466 PolarHBondContact O-OG1 3.45Å; T466-A468 HydrophobicContact CG2-CB 4.31Å; T466-A468 PolarHBondContact O-N 3.09Å; T466-D469 PolarHBondContact N-OD2 2.99Å; T466-D469 WeakPolarHBondContact O-CB 3.45Å; T466-D469 PolarHBondContact O-N 2.96Å
467P64.9Low60.6Low92 Ų92140.8 Ų140.860%0.59768%0.681SS**G310 helixtrans-54.9-21.5178.3-3037.4000115.1D469 F470P467-D469 VanDerWaalsContact C-N 3.35Å; P467-F470 PolarHBondContact O-N 2.96Å
468A70.5Confident62.3Low17 Ų17134.1 Ų134.114%0.1465%0.653CS.*G310 helixtrans-62.4-34.2170.100000114.2T466 F470 L471 Q475 L480T466-A468 HydrophobicContact CG2-CB 4.31Å; T466-A468 PolarHBondContact O-N 3.09Å; A468-F470 PolarHBondContact O-N 3.45Å; A468-L471 PolarHBondContact O-N 3.32Å; A468-Q475 HydrophobicContact CB-CG 4.39Å; A468-L480 HydrophobicContact CB-CD1 3.84Å
469D76.3Confident64Low95 Ų95129.5 Ų129.551%0.50864%0.635SS.*G310 helixtrans-65.8-20.4-177.9-59.7-36.2000112.5R465 T466 P467 L471R465-D469 VanDerWaalsContact CA-OD2 3.31Å; R465-D469 WeakPolarHBondContact CA-OD2 3.46Å; R465-D469 HydrophobicContact CG-CB 4.09Å; T466-D469 PolarHBondContact N-OD2 2.99Å; T466-D469 WeakPolarHBondContact O-CB 3.45Å; T466-D469 PolarHBondContact O-N 2.96Å; P467-D469 VanDerWaalsContact C-N 3.35Å; D469-L471 VanDerWaalsContact C-N 3.34Å
470F73Confident65.7Low173 Ų173122.4 Ų122.476%0.75960%0.603SS**G310 helixtrans-77.1-16.1174.6-91.2-86.5000113.9P467 A468P467-F470 PolarHBondContact O-N 2.96Å; A468-F470 PolarHBondContact O-N 3.45Å
471L74.3Confident67.1Low46 Ų46121.5 Ų121.524%0.24160%0.599CS.*THydrogen-bonded Turntrans-100.5-18.8-176.7-76.4163.3000113.8A468 D469 E473 H474 Q475 V478 L480A468-L471 PolarHBondContact O-N 3.32Å; D469-L471 VanDerWaalsContact C-N 3.34Å; L471-E473 PolarHBondContact O-N 3.04Å; L471-H474 WeakPolarHBondContact O-CA 3.45Å; L471-H474 VanDerWaalsContact O-CB 3.27Å; L471-H474 WeakPolarHBondContact O-CB 3.26Å; L471-H474 PolarHBondContact O-N 3.17Å; L471-Q475 HydrophobicContact CB-CB 4.27Å; L471-V478 HydrophobicContact CD1-CB 3.96Å; L471-V478 HydrophobicContact CD1-CG1 4.27Å; L471-V478 HydrophobicContact CD1-CG2 4.32Å; L471-V478 HydrophobicContact CD2-CG2 4.07Å; L471-L480 HydrophobicContact CD1-CD1 4.06Å; L471-L480 HydrophobicContact CD1-CD2 3.92Å; L471-L480 HydrophobicContact CD1-CG 4.05Å
472G76.6Confident68.5Low49 Ų49123.4 Ų123.451%0.50560%0.599SS.*G310 helixtrans54.1-132.5177.400000112.8H474 Q475G472-H474 PolarHBondContact O-N 2.7Å; G472-Q475 WeakPolarHBondContact O-CB 3.37Å; G472-Q475 PolarHBondContact O-N 3.24Å; G472-Q475 VanDerWaalsContact O-N 3.1Å
473E78.8Confident69.4Low183 Ų183120.7 Ų120.786%0.85558%0.584SS**G310 helixtrans-57.5-28.9174.2-69.8-159.2114.900113.2L471 Q475L471-E473 PolarHBondContact O-N 3.04Å; E473-Q475 PolarHBondContact O-N 3.34Å
474H67.6Low70.2Confident117 Ų117117.2 Ų117.254%0.54258%0.58SS.*G310 helixtrans-76.70.9-179.7-46.7-46.3000113.4L471 G472 K476 L477L471-H474 WeakPolarHBondContact O-CA 3.45Å; L471-H474 VanDerWaalsContact O-CB 3.27Å; L471-H474 WeakPolarHBondContact O-CB 3.26Å; L471-H474 PolarHBondContact O-N 3.17Å; G472-H474 PolarHBondContact O-N 2.7Å; H474-K476 PolarHBondContact O-N 2.88Å; H474-K476 VanDerWaalsContact O-N 3.15Å; H474-L477 HydrophobicContact CB-CD1 4.18Å; H474-L477 WeakPolarHBondContact O-CB 3.29Å; H474-L477 PolarHBondContact O-N 3.32Å
475Q77.9Confident70.3Confident102 Ų102115 Ų11548%0.47757%0.573SS.*G310 helixtrans-52.9-35.3171.9-172.1-169.65.200111.7A468 L471 G472 E473 L477 V478A468-Q475 HydrophobicContact CB-CG 4.39Å; L471-Q475 HydrophobicContact CB-CB 4.27Å; G472-Q475 WeakPolarHBondContact O-CB 3.37Å; G472-Q475 PolarHBondContact O-N 3.24Å; G472-Q475 VanDerWaalsContact O-N 3.1Å; E473-Q475 PolarHBondContact O-N 3.34Å; Q475-L477 PolarHBondContact O-N 3.26Å; Q475-V478 PolarHBondContact O-N 2.96Å
476K74.5Confident69.6Low201 Ų201114.3 Ų114.387%0.87458%0.575SS**G310 helixtrans-72.9-5178-65.8180-178.2172.30114.7H474H474-K476 PolarHBondContact O-N 2.88Å; H474-K476 VanDerWaalsContact O-N 3.15Å
477L74.7Confident68.2Low141 Ų141115.5 Ų115.574%0.73858%0.579SS**G310 helixtrans-100.3-6.6177.2-64.8169.3000112.7H474 Q475H474-L477 HydrophobicContact CB-CD1 4.18Å; H474-L477 WeakPolarHBondContact O-CB 3.29Å; H474-L477 PolarHBondContact O-N 3.32Å; Q475-L477 PolarHBondContact O-N 3.26Å
478V70.8Confident67.6Low54 Ų54116.8 Ų116.833%0.32759%0.59SS.*SBendtrans-136.3108.3-176.1-175.50000110.6L471 Q475 L480 L483L471-V478 HydrophobicContact CD1-CB 3.96Å; L471-V478 HydrophobicContact CD1-CG1 4.27Å; L471-V478 HydrophobicContact CD1-CG2 4.32Å; L471-V478 HydrophobicContact CD2-CG2 4.07Å; Q475-V478 PolarHBondContact O-N 2.96Å; V478-L480 VanDerWaalsContact C-N 3.3Å; V478-L480 PolarHBondContact O-N 3.27Å; V478-L483 HydrophobicContact CG1-CD1 3.92Å
479D73.7Confident66.7Low101 Ų101119.7 Ų119.754%0.5461%0.614SS.*  trans-6586.1169.4-85.2-16.8000110.1E481 K482D479-E481 PolarHBondContact O-N 2.95Å; D479-K482 HydrophobicContact CB-CB 4.05Å; D479-K482 HydrophobicContact CB-CD 4.02Å; D479-K482 HydrophobicContact CB-CG 4.09Å; D479-K482 PolarHBondContact O-N 3.09Å; D479-K482 VanDerWaalsContact O-N 3.08Å; D479-K482 WeakPolarHBondContact OD2-CE 3.01Å; D479-K482 IonicContact OD2-NZ 2.76Å; D479-K482 PolarHBondContact OD2-NZ 2.78Å
480L71.7Confident65.7Low42 Ų42119.3 Ų119.322%0.2262%0.619CS.*THydrogen-bonded Turntrans-58.1-30.9175.4-73.8168.9000112.5A468 L471 V478 K482 L483 I484A468-L480 HydrophobicContact CB-CD1 3.84Å; L471-L480 HydrophobicContact CD1-CD1 4.06Å; L471-L480 HydrophobicContact CD1-CD2 3.92Å; L471-L480 HydrophobicContact CD1-CG 4.05Å; V478-L480 VanDerWaalsContact C-N 3.3Å; V478-L480 PolarHBondContact O-N 3.27Å; L480-K482 VanDerWaalsContact C-N 3.31Å; L480-K482 PolarHBondContact O-N 3.02Å; L480-L483 HydrophobicContact CD2-CD1 4.44Å; L480-L483 WeakPolarHBondContact O-CB 3.25Å; L480-L483 PolarHBondContact O-N 2.78Å; L480-L483 VanDerWaalsContact O-N 3.09Å; L480-I484 WeakPolarHBondContact O-CG1 3.3Å; L480-I484 PolarHBondContact O-N 3.2Å
481E71.1Confident64.5Low161 Ų161116.8 Ų116.875%0.75262%0.618SS**Hα-helixtrans-63.1-35.8176-64.3-169.5134.900112D479 L483 I484 E485D479-E481 PolarHBondContact O-N 2.95Å; E481-L483 PolarHBondContact O-N 3.17Å; E481-I484 PolarHBondContact O-N 3.38Å; E481-I484 VanDerWaalsContact O-N 3.07Å; E481-E485 PolarHBondContact O-N 3.09Å
482K69.5Low63.1Low139 Ų139119.6 Ų119.660%0.60463%0.633SS**Hα-helixtrans-73-11.9174.4-74.4-178.6-178.3141.90114.5D479 L480D479-K482 HydrophobicContact CB-CB 4.05Å; D479-K482 HydrophobicContact CB-CD 4.02Å; D479-K482 HydrophobicContact CB-CG 4.09Å; D479-K482 PolarHBondContact O-N 3.09Å; D479-K482 VanDerWaalsContact O-N 3.08Å; D479-K482 WeakPolarHBondContact OD2-CE 3.01Å; D479-K482 IonicContact OD2-NZ 2.76Å; D479-K482 PolarHBondContact OD2-NZ 2.78Å; L480-K482 VanDerWaalsContact C-N 3.31Å; L480-K482 PolarHBondContact O-N 3.02Å
483L58.5Low62.3Low132 Ų132122.1 Ų122.169%0.69164%0.641SS**Hα-helixtrans-90.6-16.1169.4-78.1156.5000112.4V478 L480 E481V478-L483 HydrophobicContact CG1-CD1 3.92Å; L480-L483 HydrophobicContact CD2-CD1 4.44Å; L480-L483 WeakPolarHBondContact O-CB 3.25Å; L480-L483 PolarHBondContact O-N 2.78Å; L480-L483 VanDerWaalsContact O-N 3.09Å; E481-L483 PolarHBondContact O-N 3.17Å
484I64.6Low61.1Low139 Ų139122.6 Ų122.671%0.71364%0.64SS**Hα-helixtrans-97.5-33.2177.8-64.2165.8000110.8L480 E481 K486L480-I484 WeakPolarHBondContact O-CG1 3.3Å; L480-I484 PolarHBondContact O-N 3.2Å; E481-I484 PolarHBondContact O-N 3.38Å; E481-I484 VanDerWaalsContact O-N 3.07Å; I484-K486 PolarHBondContact O-N 3.13Å
485E53.8Low60.2Low145 Ų145121.4 Ų121.468%0.67864%0.641SS**SBendtrans-60.6130.6168.1-77.7-155.4123.400111.2E481 N487E481-E485 PolarHBondContact O-N 3.09Å; E485-N487 PolarHBondContact O-N 3.18Å
486K48.1Very low58.5Low192 Ų192122.9 Ų122.984%0.83566%0.657SS**  trans-74.668.3-175.8-171.1180175.4177.70111.5I484 S488I484-K486 PolarHBondContact O-N 3.13Å; K486-S488 PolarHBondContact O-N 2.97Å; K486-S488 PolarHBondContact O-OG 3.08Å
487N41.4Very low56.9Low105 Ų105116.3 Ų116.356%0.56165%0.646SS**  trans-59.8106.5178.7-174.1-10.4000110E485 A489 S490E485-N487 PolarHBondContact O-N 3.18Å; N487-A489 PolarHBondContact O-N 3.39Å; N487-A489 PolarHBondContact OD1-N 2.95Å; N487-S490 PolarHBondContact O-OG 2.97Å
488S51.3Low55.5Low118 Ų118115.6 Ų115.683%0.82565%0.653SS**THydrogen-bonded Turntrans-79.416.1-171.5-60.80000113.7K486K486-S488 PolarHBondContact O-N 2.97Å; K486-S488 PolarHBondContact O-OG 3.08Å
489A53.4Low54.1Low78 Ų78122.4 Ų122.465%0.64568%0.678SS**THydrogen-bonded Turntrans-124.2-6.1-178.800000114.8N487 T491N487-A489 PolarHBondContact O-N 3.39Å; N487-A489 PolarHBondContact OD1-N 2.95Å; A489-T491 PolarHBondContact O-N 3.24Å
490S53.8Low52Low87 Ų87123.7 Ų123.761%0.60870%0.695SS**  trans-84.275.2-179.260.10000112.4N487 N492N487-S490 PolarHBondContact O-OG 2.97Å; S490-N492 PolarHBondContact O-N 3.04Å
491T48.7Very low50.5Low120 Ų120128.2 Ų128.274%0.73672%0.724SS**  trans-70.4118.9172.8-58.10000111A489A489-T491 PolarHBondContact O-N 3.24Å
492N44.7Very low48.7Very low105 Ų105127 Ų12756%0.56173%0.727SS**  trans-64.6127.1169.6-77.7-46.2000109.9S490 F494 T495S490-N492 PolarHBondContact O-N 3.04Å; N492-F494 PolarHBondContact O-N 2.87Å; N492-T495 HydrophobicContact CB-CG2 4Å; N492-T495 PolarHBondContact O-N 3.34Å; N492-T495 VanDerWaalsContact O-N 3.17Å; N492-T495 PolarHBondContact O-OG1 2.93Å
493P60.4Low46.9Very low103 Ų103126.4 Ų126.467%0.66974%0.74SS**THydrogen-bonded Turntrans-66.7-12.1-178.227-34.8000113.5
494F53.5Low45.9Very low193 Ų193126.9 Ų126.985%0.84675%0.748SS**THydrogen-bonded Turntrans-94.7-10.1179.1-58-70.7000114.2N492 V496N492-F494 PolarHBondContact O-N 2.87Å; F494-V496 PolarHBondContact O-N 3.26Å
495T47.6Very low44.9Very low92 Ų92126.3 Ų126.356%0.56476%0.757SS**  trans-103.869.5-177.259.80000111.6N492 G497N492-T495 HydrophobicContact CB-CG2 4Å; N492-T495 PolarHBondContact O-N 3.34Å; N492-T495 VanDerWaalsContact O-N 3.17Å; N492-T495 PolarHBondContact O-OG1 2.93Å; T495-G497 VanDerWaalsContact C-N 3.31Å; T495-G497 PolarHBondContact O-N 3.01Å
496V43Very low44.4Very low133 Ų133124.2 Ų124.281%0.80676%0.757SS**  trans-82.774-178.2-160.40000111.1F494F494-V496 PolarHBondContact O-N 3.26Å
497G40.9Very low44.2Very low62 Ų62118.9 Ų118.964%0.63974%0.737SS**  trans-60.6139.3169.300000111.5T495 K499T495-G497 VanDerWaalsContact C-N 3.31Å; T495-G497 PolarHBondContact O-N 3.01Å; G497-K499 PolarHBondContact O-N 3.48Å
498S44Very low45Very low126 Ų126119.5 Ų119.588%0.88175%0.747SS**SBendtrans-67.588-165.742.60000115
499K41.5Very low44.9Very low197 Ų197122.4 Ų122.486%0.85775%0.745SS**  trans-137.1124.1165.1-65.6-172.9-178.9178.20111.2G497 V501G497-K499 PolarHBondContact O-N 3.48Å; K499-V501 PolarHBondContact O-N 2.95Å
500S31.3Very low45.1Very low129 Ų129123.5 Ų123.590%0.90274%0.739SS**  trans-72111.5-174.8-54.60000113.1
501V39.7Very low45Very low136 Ų136125 Ų12582%0.82475%0.747SS**  trans-137.1137.5151.2-175.80000108.4K499 C503K499-V501 PolarHBondContact O-N 2.95Å; V501-C503 PolarHBondContact O-N 2.56Å
502T32.8Very low44.7Very low135 Ų135127.3 Ų127.383%0.82876%0.755SS**  trans-70.2115.7178.2470000112
503C32.3Very low44.9Very low128 Ų128130.5 Ų130.587%0.86577%0.766SS**  trans-158.3145.8157-120.30000111.1V501 S505V501-C503 PolarHBondContact O-N 2.56Å; C503-S505 PolarHBondContact O-N 3.49Å
504T37.5Very low44.4Very low141 Ų141130.7 Ų130.787%0.86577%0.77SS**  trans-83.797.2-17548.60000111.8C506T504-C506 PolarHBondContact O-N 3.4Å
505S44.2Very low44.3Very low128 Ų128129.8 Ų129.890%0.89577%0.773SS**  trans-73.6106168.5-172.50000110.1C503C503-S505 PolarHBondContact O-N 3.49Å
506C41.3Very low44.6Very low100 Ų100134.1 Ų134.168%0.67678%0.784SS**  trans-93.3137174.2-165.30000110T504 P508T504-C506 PolarHBondContact O-N 3.4Å; C506-P508 WeakPolarHBondContact O-CD 3.37Å
507N44.4Very low45.5Very low80 Ų80131.7 Ų131.743%0.42877%0.771SS.*  trans-74.2119.5178-179.3-11.4000110F509 I510N507-F509 PolarHBondContact O-N 3.12Å; N507-F509 VanDerWaalsContact O-N 3.08Å; N507-F509 PolarHBondContact OD1-N 2.98Å; N507-I510 HydrophobicContact CB-CD1 4.14Å; N507-I510 HydrophobicContact CB-CG1 4.24Å; N507-I510 PolarHBondContact O-N 3.22Å; N507-I510 VanDerWaalsContact O-N 3.16Å
508P58.1Low46.3Very low119 Ų119131.9 Ų131.977%0.77376%0.763SS**THydrogen-bonded Turntrans-64.7-14.6-176.526.9-35.7000114.2C506C506-P508 WeakPolarHBondContact O-CD 3.37Å
509F50Low46.7Very low178 Ų178132.6 Ų132.678%0.78176%0.756SS**THydrogen-bonded Turntrans-916.3178.2-63.3-76.3000114.4N507N507-F509 PolarHBondContact O-N 3.12Å; N507-F509 VanDerWaalsContact O-N 3.08Å; N507-F509 PolarHBondContact OD1-N 2.98Å
510I57.2Low47.7Very low102 Ų102129.5 Ų129.552%0.52375%0.749SS.*SBendtrans-118.6105177.4-54.9180000109.9N507 N512N507-I510 HydrophobicContact CB-CD1 4.14Å; N507-I510 HydrophobicContact CB-CG1 4.24Å; N507-I510 PolarHBondContact O-N 3.22Å; N507-I510 VanDerWaalsContact O-N 3.16Å; I510-N512 PolarHBondContact O-N 3.07Å; I510-N512 VanDerWaalsContact O-N 3.15Å
511P52.4Low49.3Very low119 Ų119130.2 Ų130.277%0.77374%0.738SS**  trans-69.4112.2173.627.6-32.6000110.6Q513P511-Q513 PolarHBondContact O-N 3.22Å
512N41.6Very low50.2Low167 Ų167130.3 Ų130.389%0.89373%0.733SS**  trans23.789.8163.9-74-26.8000116.9I510I510-N512 PolarHBondContact O-N 3.07Å; I510-N512 VanDerWaalsContact O-N 3.15Å
513Q49.3Very low51Low172 Ų172127.1 Ų127.180%0.80472%0.721SS**  trans-119.4134.2156.2-159.2170.8110.300109.6P511P511-Q513 PolarHBondContact O-N 3.22Å
514S49.9Very low51.8Low107 Ų107128.3 Ų128.375%0.74872%0.718SS**PPolyproline II helixtrans-66.7141.3-173.243.30000112.5K516S514-K516 PolarHBondContact O-N 2.87Å
515L50.7Low52.2Low174 Ų174128.6 Ų128.691%0.91172%0.719SS**PPolyproline II helixtrans-60.6122.2173.4-77.6104.7000110.2
516K55.1Low52.2Low183 Ų183128.3 Ų128.380%0.79671%0.714SS**PPolyproline II helixtrans-70.8135.6159.3-72.9176.3178.3170.90108.3S514S514-K516 PolarHBondContact O-N 2.87Å
517P60.5Low52.4Low83 Ų83128.3 Ų128.354%0.53972%0.721SS.*PPolyproline II helixtrans-61.1143.2173.826.8-34.1000110.1Q521P517-Q521 HydrophobicContact CB-CB 4.5Å
518S58.5Low52.2Low66 Ų66130.4 Ų130.446%0.46274%0.739SS.*PPolyproline II helixtrans-76.3155.3177.368.80000110.8N520 Q521S518-N520 PolarHBondContact O-N 2.8Å; S518-N520 VanDerWaalsContact O-N 3.09Å; S518-Q521 WeakPolarHBondContact O-CB 3.25Å; S518-Q521 PolarHBondContact O-N 3.36Å
519L53.3Low51.3Low141 Ų141132.9 Ų132.974%0.73875%0.745SS**G310 helixtrans-57.4-30.9-174.7-173.5143.3000113Q521 L522L519-Q521 VanDerWaalsContact C-N 3.32Å; L519-Q521 PolarHBondContact O-N 3.04Å; L519-L522 PolarHBondContact O-N 3.35Å
520N62.1Low51.2Low131 Ų131130.5 Ų130.570%0.70175%0.748SS**G310 helixtrans-71.6-21176.8-66.9-9.6000113.7S518 L522S518-N520 PolarHBondContact O-N 2.8Å; S518-N520 VanDerWaalsContact O-N 3.09Å; N520-L522 VanDerWaalsContact C-N 3.29Å
521Q63.7Low50.3Low144 Ų144129.2 Ų129.267%0.67376%0.759SS**G310 helixtrans-78.2-11.8173.8-73.3178.2-39.700113.2P517 S518 L519P517-Q521 HydrophobicContact CB-CB 4.5Å; S518-Q521 WeakPolarHBondContact O-CB 3.25Å; S518-Q521 PolarHBondContact O-N 3.36Å; L519-Q521 VanDerWaalsContact C-N 3.32Å; L519-Q521 PolarHBondContact O-N 3.04Å
522L58.2Low50Low138 Ų138129.1 Ų129.172%0.72376%0.759SS**G310 helixtrans-90.2-1.4177.3-62.7175000113.6L519 N520L519-L522 PolarHBondContact O-N 3.35Å; N520-L522 VanDerWaalsContact C-N 3.29Å
523A49.7Very low50Low69 Ų69128 Ų12857%0.5776%0.758SS**SBendtrans-110.6-12.2-160.100000116.6
524L49.1Very low49.3Very low153 Ų153130.3 Ų130.380%0.80176%0.761SS**  trans-142.797.4-166.4-70.7173000115.2
525T45.9Very low48.9Very low147 Ų147133 Ų13390%0.90276%0.761SS**  trans-176.4131.113615.80000111
526P45.3Very low48.4Very low122 Ų122130.6 Ų130.679%0.79275%0.749SS**  trans-111.4146-175.638.2-31000116.1
527A44.4Very low47.8Very low99 Ų99127 Ų12782%0.81874%0.743SS**  trans65.4169.4154.500000117.7
528P41.8Very low47Very low124 Ų124130.8 Ų130.881%0.80576%0.755SS**  cis-123.2174.5-1.141.3-26.9000115.9
529L37.8Very low46.2Very low172 Ų172134.9 Ų134.990%0.90177%0.772SS**  trans-103.2153.9174.6-65.7169.1000112.2
530P47.6Very low45.6Very low128 Ų128135 Ų13583%0.83177%0.773SS**  trans-117.8163.5145.232.9-21.1000112.9
531G39.1Very low45.2Very low74 Ų74133.4 Ų133.476%0.76377%0.77SS**  trans-91.2-174.6-164.400000118.3
532P45.9Very low44.2Very low117 Ų117133.5 Ų133.576%0.7677%0.773SS**  trans-100.9174.9-161.339.5-37.8000116
533T41.2Very low43.5Very low143 Ų143133.7 Ų133.788%0.87777%0.768SS**  trans-141.3151.7167.4-360000110.6
534Y35.8Very low43.2Very low222 Ų222139.1 Ų139.187%0.87178%0.775SS**  trans-103.7145.6-166.3-63.5-105.3000114
535H41.2Very low42.7Very low163 Ų163140.4 Ų140.476%0.75578%0.777SS**  trans-162.9119147.8-167.3-106.7000113.9
536N39.5Very low42.6Very low123 Ų123139.7 Ų139.766%0.65877%0.772SS**  trans20.8149.4134.9-61.1-17.4000121.7
537T42.3Very low42.6Very low108 Ų108145.2 Ų145.266%0.66378%0.777SS**  cis-165.5142.31.9-106.60000114.4
538M45.5Very low42.7Very low162 Ų162145.4 Ų145.480%0.79877%0.77SS**  trans25125.2152.9-52.9177.4177.600124
539N40.4Very low42.7Very low153 Ų153150 Ų15082%0.81877%0.773SS**  160.5144111.1-100.8-17.2000110.4
540N40.8Very low42.7Very low142 Ų142152.3 Ų152.376%0.75977%0.771SS**  cis-154.8150-11.7-171.846.6000107.6
541P52.9Low43.1Very low99 Ų99152.1 Ų152.164%0.64377%0.769SS**  trans-111.5-150.8-165.143.3-34.2000114.6
542M43.1Very low43.1Very low146 Ų146153 Ų15372%0.71977%0.77SS**  trans84.4139-174.9-52.5-55.9-15300113.9
543F43.3Very low42.9Very low142 Ų142153.9 Ų153.962%0.62378%0.779SS**  cis-149.2170.4-0.1-95.1-47.8000107.2
544Y44.4Very low43Very low183 Ų183150.3 Ų150.372%0.71877%0.77SS**  cis-158.6-177.4-0.6-125.2-43.4000109
545Q38.3Very low43.3Very low180 Ų180145.2 Ų145.284%0.84177%0.767SS**  trans-139.7153.1154.1-85.1-156.39.100110.5
546V44.2Very low43.3Very low131 Ų131143.6 Ų143.679%0.79477%0.769SS**  trans-140.2130.3172.6179.10000110.5
547R45.1Very low43.2Very low238 Ų238142.7 Ų142.790%0.89877%0.772SS**  trans-153113.2172.4-173.2-167.8-163.2-143.77.8111.1
548P46.4Very low43Very low103 Ų103143.7 Ų143.767%0.66978%0.778SS**  trans-128.612816220.21.1000111.3
549Y40.9Very low42.7Very low221 Ų221142.9 Ų142.987%0.86778%0.782SS**  111.4137.366.6-113.6-90.5000109.5
550Y38.7Very low42.6Very low221 Ų221144.3 Ų144.387%0.86778%0.784SS**  trans-100.9153.4164.6-88.7-91.3000109.5
551P55.4Low43Very low123 Ų123142.8 Ų142.880%0.79978%0.781SS**  trans-118.6160.5147.536.8-27.6000111.9
552A39.4Very low42.5Very low94 Ų94144.4 Ų144.478%0.77778%0.784SS**  trans-136.3153.7171.800000109.7
553S42.8Very low42.5Very low134 Ų134144.7 Ų144.794%0.93778%0.784SS**  trans171.5151.5152-82.70000113.5
554G42.1Very low42.4Very low68 Ų68145.1 Ų145.170%0.70179%0.79SS**  trans96.5124.3165.700000115
555S41.9Very low42.8Very low116 Ų116142.2 Ų142.281%0.81179%0.79SS**  cis83.8135.635.583.10000113.8
556V41.2Very low43.3Very low129 Ų129138.8 Ų138.878%0.78278%0.784SS**  cis-166.4166.50.3110.60000110.3
557S39.2Very low43.4Very low103 Ų103140.4 Ų140.472%0.7279%0.787SS**  trans67.6143.2173.5-66.30000117.3
558T37.1Very low43.3Very low130 Ų130136 Ų13680%0.79878%0.781SS**  cis91.6110.322.7-58.30000115.5
559V38.7Very low43.1Very low145 Ų145137.2 Ų137.288%0.87979%0.786SS**  trans-176.1158.5137.9142.40000109.6
560Q38.9Very low43.3Very low183 Ų183130.9 Ų130.986%0.85578%0.78SS**  trans-104.5171.2-169.9-105.5-166.6-47.100114.7
561P50Low43.4Very low110 Ų110126.1 Ų126.171%0.71478%0.779SS**  trans-96.9170.8-166.139.4-38.4000115.1
562N41.2Very low42.8Very low132 Ų132124 Ų12471%0.70677%0.771SS**  trans-164.9160153.9-126.3-27000114.9
563H42.6Very low42.8Very low152 Ų152130.8 Ų130.870%0.70478%0.777SS**  trans70.1150.5162.5-49.7-37.4000119.7
564M41.1Very low42.6Very low152 Ų152129.2 Ų129.275%0.74977%0.766SS**  cis-162.5135.5-19.1-109.1177.375.300112.8
565V53Low42.5Very low121 Ų121132 Ų13273%0.73377%0.769SS**  trans70.1144.2136.4175.30000122
566P50.1Low42.5Very low109 Ų109134.6 Ų134.671%0.70877%0.772SS**  trans-128.6178.4-169.644.9-29.4000117.3
567I46Very low42.2Very low165 Ų165135.8 Ų135.885%0.84677%0.774SS**  trans-143.6139.2160.6-60.1178.7000108.5
568N42.6Very low42.2Very low144 Ų144137.6 Ų137.677%0.7778%0.776SS**  cis122.468-11.9-161.478.1000118
569T43.5Very low42.3Very low129 Ų129136.6 Ų136.679%0.79177%0.774SS**  trans-144.9123.7154.5350000108.3
570A43.8Very low42.4Very low89 Ų89133 Ų13374%0.73677%0.767SS**  62.9116.558.700000110.8
571S41.8Very low42.6Very low121 Ų121132 Ų13285%0.84677%0.767SS**  cis-175.6177.249.3-83.30000108.9
572A42.7Very low42.3Very low77 Ų77133.5 Ų133.564%0.63677%0.769SS**  cis-169157.6-16.200000110.7
573W39.1Very low42.4Very low238 Ų238134.1 Ų134.190%0.90277%0.77SS**  trans-7.8156.1147.4-41.389.8000119.4
574S38.5Very low42.5Very low101 Ų101133.5 Ų133.571%0.70677%0.769SS**  cis-168.2175.61.6-124.80000114.3
575V38.7Very low42.7Very low126 Ų126133.8 Ų133.876%0.76477%0.768SS**  trans-51.6148.4163.9173.80000114.3
576I42.2Very low42.2Very low171 Ų171134.3 Ų134.388%0.87776%0.763SS**  trans-159.2157.9140.1-103.9155.4000110
577D35.4Very low41.9Very low153 Ų153136 Ų13682%0.81876%0.761SS**  trans-111.1-174-171-161.4-2000111.5
578D40.1Very low41.9Very low141 Ų141136 Ų13675%0.75476%0.757SS**  trans113.4143.6156.9-152.622.1000119.3
579S39.3Very low42Very low110 Ų110134.6 Ų134.677%0.76975%0.754SS**  trans-64.1160.9-170.9-37.50000115.9
580G40.7Very low42.1Very low70 Ų70133.1 Ų133.172%0.72275%0.749SS**  trans156.593.2149.100000120
581N42.3Very low42.3Very low160 Ų160134 Ų13486%0.85675%0.75SS**  trans51.7110134.6-82.2-20.2000122.9
582N42.7Very low43Very low143 Ų143135.9 Ų135.977%0.76575%0.75SS**  103.4155.2107.8-156.315.6000120.6
583M43.7Very low43.2Very low144 Ų144139.9 Ų139.971%0.70976%0.76SS**  trans85.793.1161.2-66.8-178.871.100122.8
584M44.8Very low44.4Very low140 Ų140133.2 Ų133.269%0.6975%0.747SS**  82.994102-166.4-176.6-169.600121.5
585H46.1Very low45.5Very low158 Ų158137.6 Ų137.673%0.73175%0.754SS**  177.2166.1123.6-101.176.7000110.7
586Q43Very low45.9Very low132 Ų132146.1 Ų146.162%0.61778%0.775SS**  -174.8154.4-51.2-168-162.77900107.3
587Q43.8Very low46.1Very low145 Ų145144.9 Ų144.968%0.67877%0.77SS**  trans100107.9167.9-58.6178.315.700114.8
588Q44.9Very low46.7Very low165 Ų165144.5 Ų144.577%0.77177%0.767SS**  82.5137.387.2-76179.621.400112.4
589T45.3Very low47.1Very low114 Ų114144.7 Ų144.770%0.69977%0.768SS**  cis-154.7163.912.2-3.20000112.8
590S45.3Very low47.5Very low98 Ų98146.7 Ų146.769%0.68577%0.768SS**  trans38.8106.2144.5-52.10000120.3
591S48.1Very low47.9Very low107 Ų107151.5 Ų151.575%0.74877%0.771SS**  70.6122.575.776.30000116.8
592L56.6Low48.3Very low161 Ų161150.9 Ų150.984%0.84377%0.765SS**  169.8134.6106-161.670.3000111.9
593N46.8Very low48.7Very low160 Ų160151.5 Ų151.586%0.85677%0.765SS**  trans-94.9145.7166.9-98.611.4000110.7
594P64.3Low49.1Very low98 Ų98152.1 Ų152.164%0.63677%0.769SS**  trans-127.9140.3162.738.4-25.6000114.7
595F62.5Low49.5Very low193 Ų193153.1 Ų153.185%0.84678%0.776SS**  trans80.1124.1167.5-58.9-72.6000120.4
596Y47.1Very low49.8Very low306 Ų306152.6 Ų152.6100%1.278%0.78SS**  trans64.60174.3-75.9-80.4000117.7

Retrieved 596 of 596 residues in 437.6 ms (Link to these results)

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