A0A059V7J1_HUMAN Loading...

Serine/threonine-protein kinase Nek4

AlphaFold DB , UniProt , Accession A0A059V7J1, Species HUMAN (Homo sapiens, Human), Gene NEK4, Length 795 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.8Low84.9Confident161 Ų16175.8 Ų75.879%0.79340%0.399SS*.  099.10-80.3-58.4-177.100110.7L3 A4M1-L3 PolarHBondContact O-N 3.34Å; M1-A4 PolarHBondContact O-N 3.05Å
2P71.9Confident85.1Confident44 Ų4473.4 Ų73.429%0.28639%0.389SS..G310 helixtrans-61.3-28.7179-24.936.7000113.7A4 A5 Y6 W72P2-A4 PolarHBondContact O-N 3.36Å; P2-A5 WeakPolarHBondContact O-CB 3.43Å; P2-A5 PolarHBondContact O-N 3.08Å; P2-Y6 WeakPolarHBondContact O-CD2 3.42Å; P2-W72 HydrophobicContact CB-CD2 3.85Å; P2-W72 HydrophobicContact CB-CE3 3.51Å; P2-W72 HydrophobicContact CB-CH2 4.01Å; P2-W72 HydrophobicContact CB-CZ2 4.31Å; P2-W72 HydrophobicContact CB-CZ3 3.57Å; P2-W72 HydrophobicContact CG-CB 4.47Å; P2-W72 HydrophobicContact CG-CD2 3.65Å; P2-W72 HydrophobicContact CG-CE3 3.61Å; P2-W72 HydrophobicContact CG-CG 3.99Å; P2-W72 HydrophobicContact CG-CZ3 4.21Å
3L72.6Confident84.6Confident66 Ų6669.8 Ų69.835%0.34638%0.381SS..G310 helixtrans-46.2-34.8174.7-75.9165.4000114.1M1 A5 Y6 W72 Y80M1-L3 PolarHBondContact O-N 3.34Å; L3-A5 PolarHBondContact O-N 3.39Å; L3-Y6 PolarHBondContact O-N 3.23Å; L3-W72 HydrophobicContact CD2-CZ2 3.76Å; L3-W72 HydrophobicContact CG-CZ2 3.66Å; L3-Y80 HydrophobicContact CD1-CE1 4.39Å; L3-Y80 HydrophobicContact CD2-CD1 4.31Å; L3-Y80 HydrophobicContact CD2-CE1 4.15Å
4A81.9Confident83.8Confident75 Ų7576.1 Ų76.162%0.6240%0.402SS*.G310 helixtrans-62.2-30.8177.400000113.1M1 P2 Y6 R26M1-A4 PolarHBondContact O-N 3.05Å; P2-A4 PolarHBondContact O-N 3.36Å; A4-Y6 PolarHBondContact O-N 3.2Å; A4-R26 VanDerWaalsContact O-CD 3.32Å; A4-R26 WeakPolarHBondContact O-CD 3.43Å; A4-R26 PolarHBondContact O-NE 3.19Å
5A90.4Very high82.5Confident27 Ų2774.7 Ų74.722%0.22341%0.413CS..G310 helixtrans-75.8-5.5175.600000113.4P2 L3 H25 R26P2-A5 WeakPolarHBondContact O-CB 3.43Å; P2-A5 PolarHBondContact O-N 3.08Å; L3-A5 PolarHBondContact O-N 3.39Å; A5-H25 CarbonylContact O-C 3.55Å; A5-H25 WeakPolarHBondContact O-CA 3.34Å; A5-H25 PolarHBondContact O-CD2 3.21Å; A5-R26 WeakPolarHBondContact O-CG 3.29Å; A5-R26 PolarHBondContact O-N 3.04Å
6Y94.1Very high80.7Confident10 Ų1076 Ų764%0.03943%0.429CS..EExtended strand (participates in β ladder)trans-114.2136.8179-69.6-83.3000110.8P2 L3 A4 V23 H25 Y32 I34 K69 E70 W72 V82P2-Y6 WeakPolarHBondContact O-CD2 3.42Å; L3-Y6 PolarHBondContact O-N 3.23Å; A4-Y6 PolarHBondContact O-N 3.2Å; Y6-V23 HydrophobicContact CD1-CB 4.2Å; Y6-V23 HydrophobicContact CD1-CG2 3.45Å; Y6-V23 VanDerWaalsContact CD1-CG2 3.45Å; Y6-V23 HydrophobicContact CE1-CG2 4.14Å; Y6-V23 HydrophobicContact CG-CG2 4.23Å; Y6-H25 HydrophobicContact CD1-CB 3.84Å; Y6-H25 HydrophobicContact CE1-CB 3.58Å; Y6-H25 AromaticContact CE1-CD2 3.99Å; Y6-H25 AromaticContact CZ-CD2 3.82Å; Y6-Y32 HydrophobicContact CE1-CD2 4Å; Y6-Y32 HydrophobicContact CE1-CG 4.37Å; Y6-I34 HydrophobicContact CD1-CD1 4.45Å; Y6-I34 HydrophobicContact CG-CD1 4.19Å; Y6-K69 WeakPolarHBondContact OH-CD 3.49Å; Y6-K69 WeakPolarHBondContact OH-CE 3.42Å; Y6-K69 PolarHBondContact OH-NZ 2.86Å; Y6-E70 PolarHBondContact OH-OE1 2.92Å; Y6-W72 HydrophobicContact CD2-CH2 4.37Å; Y6-W72 HydrophobicContact CE2-CH2 4.37Å; Y6-W72 HydrophobicContact CE2-CZ3 4.42Å; Y6-V82 HydrophobicContact CE1-CG1 3.95Å; Y6-V82 HydrophobicContact CE2-CG2 4.43Å
7C94.3Very high79.5Confident48 Ų4877.4 Ų77.432%0.32443%0.427SS..EExtended strand (participates in β ladder)trans-103.1123171-168.50000108.8V23 K24C7-V23 CarbonylContact O-C 3.55Å; C7-V23 WeakPolarHBondContact O-CA 3.28Å; C7-V23 WeakPolarHBondContact O-CB 3.11Å; C7-K24 PolarHBondContact N-O 3.21Å; C7-K24 PolarHBondContact O-N 3.28Å
8Y94.4Very high79Confident136 Ų13674.8 Ų74.853%0.53342%0.422SS..EExtended strand (participates in β ladder)trans-57.5138.5171.3176.9-84.6000110.5V11 T21Y8-V11 PolarHBondContact OH-N 3.17Å; Y8-T21 HydrophobicContact CD2-CG2 3.41Å; Y8-T21 VanDerWaalsContact CD2-CG2 3.41Å; Y8-T21 HydrophobicContact CE2-CG2 3.51Å; Y8-T21 HydrophobicContact CG-CG2 4.48Å
9L94.1Very high79.2Confident75 Ų7573.1 Ų73.139%0.39341%0.41SS..EExtended strand (participates in β ladder)trans-117-59.7169.7-62.6179.3000111.4L22 K24 Q31L9-L22 HydrophobicContact CB-CG 4.3Å; L9-L22 WeakPolarHBondContact CB-O 3.44Å; L9-L22 HydrophobicContact CD1-CD2 4.41Å; L9-L22 HydrophobicContact CD1-CG 4.13Å; L9-L22 PolarHBondContact N-O 3.3Å; L9-K24 HydrophobicContact CD1-CB 4.12Å; L9-K24 HydrophobicContact CG-CB 4.4Å; L9-Q31 HydrophobicContact CD1-CG 4.45Å
10R94.1Very high79.7Confident146 Ų14671.3 Ų71.355%0.55140%0.4SS*.EExtended strand (participates in β ladder)trans-162.9158.717959.3177179.3173.5-0.2112.3V12 L22R10-V12 HydrophobicContact CG-CG1 4.3Å; R10-L22 HydrophobicContact CG-CB 4.1Å; R10-L22 HydrophobicContact CG-CD2 4.03Å; R10-L22 PolarHBondContact N-O 3.19Å; R10-L22 WeakPolarHBondContact O-CB 3.44Å; R10-L22 PolarHBondContact O-N 2.98Å
11V92.1Very high80.3Confident46 Ų4668 Ų6828%0.27938%0.382SS..EExtended strand (participates in β ladder)trans-66.6138.6159.7-179.70000109.2Y8 G13 K14 E19Y8-V11 PolarHBondContact OH-N 3.17Å; V11-G13 WeakPolarHBondContact CG1-O 3.35Å; V11-K14 HydrophobicContact CG1-CG 3.93Å; V11-E19 HydrophobicContact CG1-CG 3.9Å; V11-E19 HydrophobicContact CG2-CG 4.01Å; V11-E19 WeakPolarHBondContact CG2-OE2 3.27Å
12V87Confident82.3Confident47 Ų4760.6 Ų60.629%0.28535%0.346SS..EExtended strand (participates in β ladder)trans-113.9-22.4173-72.10000113.2R10 V20 L22 V33R10-V12 HydrophobicContact CG-CG1 4.3Å; V12-V20 HydrophobicContact CG2-CB 4.13Å; V12-V20 HydrophobicContact CG2-CG1 3.75Å; V12-V20 WeakPolarHBondContact CG2-O 3.36Å; V12-V20 PolarHBondContact N-O 3.42Å; V12-L22 HydrophobicContact CG1-CB 3.66Å; V12-L22 HydrophobicContact CG1-CD2 4.3Å; V12-V33 HydrophobicContact CG2-CG1 4.13Å
13G78.7Confident83.5Confident27 Ų2758.7 Ų58.728%0.27833%0.333SS..EExtended strand (participates in β ladder)trans-156.1153174.300000112.8V11 V20V11-G13 WeakPolarHBondContact CG1-O 3.35Å; G13-V20 PolarHBondContact N-O 3.36Å; G13-V20 PolarHBondContact O-N 3.39Å
14K74.3Confident84.6Confident157 Ų15760.5 Ų60.568%0.68334%0.338SS*.EExtended strand (participates in β ladder)trans-132.1133.4166-61-166.1177.9-143.40107.5V11 E19V11-K14 HydrophobicContact CG1-CG 3.93Å; K14-E19 WeakPolarHBondContact CE-OE2 3.31Å; K14-E19 HydrophobicContact CG-CG 4.28Å; K14-E19 IonicContact NZ-OE2 3.6Å; K14-E19 PolarHBondContact NZ-OE2 3.11Å
15G63.9Low85.2Confident55 Ų5557.1 Ų57.157%0.56731%0.31SS*.EExtended strand (participates in β ladder)trans-148.5-174.718000000111.3Y17 G18G15-Y17 VanDerWaalsContact C-N 3.27Å; G15-Y17 PolarHBondContact O-N 3.18Å; G15-G18 PolarHBondContact N-O 3.2Å; G15-G18 PolarHBondContact O-N 3.06Å
16S53.9Low85.4Confident96 Ų9663.6 Ų63.667%0.67133%0.328SS*.THydrogen-bonded Turntrans-53.1-44.3177.646.40000112.6G18S16-G18 PolarHBondContact O-N 3.39Å
17Y60.1Low85.3Confident99 Ų9972.8 Ų72.839%0.38836%0.363SS..THydrogen-bonded Turntrans-77.87-179.5-51.5-73.2000114.8G15G15-Y17 VanDerWaalsContact C-N 3.27Å; G15-Y17 PolarHBondContact O-N 3.18Å
18G69.9Low85.2Confident32 Ų3273.7 Ų73.733%0.3337%0.365SS..EExtended strand (participates in β ladder)trans113.5-149.9175.400000115.4G15 S16G15-G18 PolarHBondContact N-O 3.2Å; G15-G18 PolarHBondContact O-N 3.06Å; S16-G18 PolarHBondContact O-N 3.39Å
19E82.8Confident85Confident42 Ų4268.9 Ų68.920%0.19636%0.356CS..EExtended strand (participates in β ladder)trans-110.4132.1-172-175.6179.881.700111.7V11 K14 K36V11-E19 HydrophobicContact CG1-CG 3.9Å; V11-E19 HydrophobicContact CG2-CG 4.01Å; V11-E19 WeakPolarHBondContact CG2-OE2 3.27Å; K14-E19 WeakPolarHBondContact CE-OE2 3.31Å; K14-E19 HydrophobicContact CG-CG 4.28Å; K14-E19 IonicContact NZ-OE2 3.6Å; K14-E19 PolarHBondContact NZ-OE2 3.11Å; E19-K36 HydrophobicContact CB-CD 4.47Å; E19-K36 PolarHBondContact O-N 3.04Å; E19-K36 VanDerWaalsContact O-N 3.11Å; E19-K36 IonicContact OE1-NZ 3.54Å; E19-K36 PolarHBondContact OE1-NZ 3.1Å
20V89.4Confident85Confident36 Ų3671.6 Ų71.622%0.21837%0.365CS..EExtended strand (participates in β ladder)trans-105.1119.6174.9-170.60000109.1V12 G13 V33 I34 K35V12-V20 HydrophobicContact CG2-CB 4.13Å; V12-V20 HydrophobicContact CG2-CG1 3.75Å; V12-V20 WeakPolarHBondContact CG2-O 3.36Å; V12-V20 PolarHBondContact N-O 3.42Å; G13-V20 PolarHBondContact N-O 3.36Å; G13-V20 PolarHBondContact O-N 3.39Å; V20-V33 HydrophobicContact CG1-CB 3.95Å; V20-V33 HydrophobicContact CG1-CG1 4.37Å; V20-I34 WeakPolarHBondContact CA-O 3.4Å; V20-K35 HydrophobicContact CG2-CG 4.33Å
21T93.5Very high85Confident4 Ų468.8 Ų68.83%0.02536%0.358CS..EExtended strand (participates in β ladder)trans-115.1126.7-171.9-58.30000111.2Y8 V23 V33 I34 K36Y8-T21 HydrophobicContact CD2-CG2 3.41Å; Y8-T21 VanDerWaalsContact CD2-CG2 3.41Å; Y8-T21 HydrophobicContact CE2-CG2 3.51Å; Y8-T21 HydrophobicContact CG-CG2 4.48Å; T21-V23 HydrophobicContact CG2-CG1 3.94Å; T21-V33 CarbonylContact O-C 3.59Å; T21-V33 VanDerWaalsContact O-CA 3.32Å; T21-V33 WeakPolarHBondContact O-CA 2.93Å; T21-I34 PolarHBondContact N-O 3.22Å; T21-I34 PolarHBondContact O-N 3.14Å; T21-K36 VanDerWaalsContact OG1-CE 3.31Å; T21-K36 WeakPolarHBondContact OG1-CE 3.36Å; T21-K36 PolarHBondContact OG1-NZ 3.19Å
22L95.5Very high85.2Confident4 Ų468.1 Ų68.12%0.02135%0.351CS..EExtended strand (participates in β ladder)trans-77.1131.3168.2179.663.3000110.3L9 R10 V12 Q31 Y32 F85L9-L22 HydrophobicContact CB-CG 4.3Å; L9-L22 WeakPolarHBondContact CB-O 3.44Å; L9-L22 HydrophobicContact CD1-CD2 4.41Å; L9-L22 HydrophobicContact CD1-CG 4.13Å; L9-L22 PolarHBondContact N-O 3.3Å; R10-L22 HydrophobicContact CG-CB 4.1Å; R10-L22 HydrophobicContact CG-CD2 4.03Å; R10-L22 PolarHBondContact N-O 3.19Å; R10-L22 WeakPolarHBondContact O-CB 3.44Å; R10-L22 PolarHBondContact O-N 2.98Å; V12-L22 HydrophobicContact CG1-CB 3.66Å; V12-L22 HydrophobicContact CG1-CD2 4.3Å; L22-Q31 HydrophobicContact CD1-CB 4.12Å; L22-Y32 WeakPolarHBondContact CD1-O 3.49Å; L22-F85 HydrophobicContact CD1-CB 4.01Å; L22-F85 HydrophobicContact CD1-CD1 3.62Å; L22-F85 HydrophobicContact CD1-CD2 3.7Å; L22-F85 HydrophobicContact CD1-CE1 3.95Å; L22-F85 HydrophobicContact CD1-CE2 4.04Å; L22-F85 HydrophobicContact CD1-CG 3.49Å; L22-F85 VanDerWaalsContact CD1-CG 3.49Å; L22-F85 HydrophobicContact CD1-CZ 4.16Å; L22-F85 HydrophobicContact CD2-CE1 4.22Å; L22-F85 HydrophobicContact CD2-CZ 4.16Å
23V96.1Very high85.5Confident5 Ų566.5 Ų66.53%0.0334%0.341CS..EExtended strand (participates in β ladder)trans-135.4157.2-178.5-60.20000111.5Y6 C7 T21 Q31 Y32 I34Y6-V23 HydrophobicContact CD1-CB 4.2Å; Y6-V23 HydrophobicContact CD1-CG2 3.45Å; Y6-V23 VanDerWaalsContact CD1-CG2 3.45Å; Y6-V23 HydrophobicContact CE1-CG2 4.14Å; Y6-V23 HydrophobicContact CG-CG2 4.23Å; C7-V23 CarbonylContact O-C 3.55Å; C7-V23 WeakPolarHBondContact O-CA 3.28Å; C7-V23 WeakPolarHBondContact O-CB 3.11Å; T21-V23 HydrophobicContact CG2-CG1 3.94Å; V23-Q31 WeakPolarHBondContact O-CA 3.33Å; V23-Y32 WeakPolarHBondContact CG2-O 3.45Å; V23-Y32 PolarHBondContact N-O 3.48Å; V23-Y32 PolarHBondContact O-N 3.43Å; V23-I34 HydrophobicContact CB-CD1 4.44Å; V23-I34 HydrophobicContact CG1-CD1 3.81Å; V23-I34 HydrophobicContact CG1-CG1 3.97Å; V23-I34 HydrophobicContact CG2-CD1 3.89Å; V23-I34 HydrophobicContact CG2-CG1 3.7Å
24K95.9Very high86.2Confident103 Ų10365.4 Ų65.445%0.44833%0.329SS..EExtended strand (participates in β ladder)trans-108.6123.2167.4-164.7176.5-173.8178.80109.3C7 L9 G29 K30C7-K24 PolarHBondContact N-O 3.21Å; C7-K24 PolarHBondContact O-N 3.28Å; L9-K24 HydrophobicContact CD1-CB 4.12Å; L9-K24 HydrophobicContact CG-CB 4.4Å; K24-G29 WeakPolarHBondContact CE-O 3.23Å; K24-G29 WeakPolarHBondContact CG-O 3.45Å; K24-K30 WeakPolarHBondContact CA-O 3.43Å
25H95.3Very high86.9Confident5 Ų559.3 Ų59.32%0.02330%0.302CS..EExtended strand (participates in β ladder)trans-77.1132.5175.2173.7-117000110A5 Y6 R27 D28 G29 K30 Y32 K69A5-H25 CarbonylContact O-C 3.55Å; A5-H25 WeakPolarHBondContact O-CA 3.34Å; A5-H25 PolarHBondContact O-CD2 3.21Å; Y6-H25 HydrophobicContact CD1-CB 3.84Å; Y6-H25 HydrophobicContact CE1-CB 3.58Å; Y6-H25 AromaticContact CE1-CD2 3.99Å; Y6-H25 AromaticContact CZ-CD2 3.82Å; H25-R27 VanDerWaalsContact C-N 3.34Å; H25-R27 PolarHBondContact CE1-NE 3.36Å; H25-R27 PolarHBondContact NE2-NE 3.27Å; H25-R27 PolarHBondContact NE2-NH2 3.34Å; H25-R27 PolarHBondContact O-N 3.19Å; H25-D28 WeakPolarHBondContact CB-OD1 3.26Å; H25-D28 IonicContact CE1-OD2 2.83Å; H25-D28 PolarHBondContact CE1-OD2 3.24Å; H25-D28 IonicContact CG-OD1 3.24Å; H25-D28 IonicContact CG-OD2 3.66Å; H25-D28 IonicContact ND1-OD1 2.7Å; H25-D28 PolarHBondContact ND1-OD1 3.31Å; H25-D28 IonicContact ND1-OD2 2.71Å; H25-D28 PolarHBondContact ND1-OD2 3.1Å; H25-G29 VanDerWaalsContact O-CA 3.31Å; H25-G29 WeakPolarHBondContact O-CA 3.2Å; H25-G29 PolarHBondContact O-N 2.94Å; H25-K30 PolarHBondContact N-O 2.65Å; H25-Y32 HydrophobicContact CB-CD2 3.86Å; H25-Y32 HydrophobicContact CB-CE2 3.8Å; H25-K69 PolarHBondContact ND1-NZ 2.81Å; H25-K69 VanDerWaalsContact ND1-NZ 3.16Å
26R93.6Very high88.1Confident162 Ų16259.1 Ų59.161%0.61129%0.286SS*.THydrogen-bonded Turntrans-71.2-23.1-166.7-65.5-177-166.7-86.5-4.1114.5A4 A5A4-R26 VanDerWaalsContact O-CD 3.32Å; A4-R26 WeakPolarHBondContact O-CD 3.43Å; A4-R26 PolarHBondContact O-NE 3.19Å; A5-R26 WeakPolarHBondContact O-CG 3.29Å; A5-R26 PolarHBondContact O-N 3.04Å
27R91.9Very high89.5Confident204 Ų20455.5 Ų55.577%0.7726%0.259SS*.THydrogen-bonded Turntrans-94.3-38.9-174-60.7179.8-69.4164.9-2.4114.4H25H25-R27 VanDerWaalsContact C-N 3.34Å; H25-R27 PolarHBondContact CE1-NE 3.36Å; H25-R27 PolarHBondContact NE2-NE 3.27Å; H25-R27 PolarHBondContact NE2-NH2 3.34Å; H25-R27 PolarHBondContact O-N 3.19Å
28D92Very high90.6Very high67 Ų6755.8 Ų55.836%0.35827%0.267SS..THydrogen-bonded Turntrans-101.3-6.8178.958.525.3000112.8H25 K30 Y32 K69H25-D28 WeakPolarHBondContact CB-OD1 3.26Å; H25-D28 IonicContact CE1-OD2 2.83Å; H25-D28 PolarHBondContact CE1-OD2 3.24Å; H25-D28 IonicContact CG-OD1 3.24Å; H25-D28 IonicContact CG-OD2 3.66Å; H25-D28 IonicContact ND1-OD1 2.7Å; H25-D28 PolarHBondContact ND1-OD1 3.31Å; H25-D28 IonicContact ND1-OD2 2.71Å; H25-D28 PolarHBondContact ND1-OD2 3.1Å; D28-K30 HydrophobicContact CB-CG 4.41Å; D28-K30 PolarHBondContact O-N 3.1Å; D28-K30 VanDerWaalsContact O-N 3.15Å; D28-K30 PolarHBondContact OD1-N 2.91Å; D28-Y32 PolarHBondContact OD2-OH 2.95Å; D28-K69 IonicContact OD2-NZ 2.7Å; D28-K69 PolarHBondContact OD2-NZ 2.92Å
29G91.8Very high91.2Very high35 Ų3554.8 Ų54.836%0.36125%0.254SS..  trans69.80.1-178.700000114.9K24 H25K24-G29 WeakPolarHBondContact CE-O 3.23Å; K24-G29 WeakPolarHBondContact CG-O 3.45Å; H25-G29 VanDerWaalsContact O-CA 3.31Å; H25-G29 WeakPolarHBondContact O-CA 3.2Å; H25-G29 PolarHBondContact O-N 2.94Å
30K93.1Very high91.2Very high132 Ų13259.7 Ų59.757%0.57427%0.271SS*.  trans-81.3153.6-171.6-66.3-173.9178.1-171.60112.4K24 H25 D28 Y32K24-K30 WeakPolarHBondContact CA-O 3.43Å; H25-K30 PolarHBondContact N-O 2.65Å; D28-K30 HydrophobicContact CB-CG 4.41Å; D28-K30 PolarHBondContact O-N 3.1Å; D28-K30 VanDerWaalsContact O-N 3.15Å; D28-K30 PolarHBondContact OD1-N 2.91Å; K30-Y32 HydrophobicContact CB-CD2 4.43Å; K30-Y32 HydrophobicContact CB-CE2 3.61Å; K30-Y32 WeakPolarHBondContact O-CD2 3.43Å
31Q95.1Very high90.8Very high87 Ų8765.5 Ų65.541%0.40730%0.301SS..EExtended strand (participates in β ladder)trans-87.2139.6175.2-63.8-170.631.700111.1L9 L22 V23 F85L9-Q31 HydrophobicContact CD1-CG 4.45Å; L22-Q31 HydrophobicContact CD1-CB 4.12Å; V23-Q31 WeakPolarHBondContact O-CA 3.33Å; Q31-F85 HydrophobicContact CB-CB 4.17Å; Q31-F85 HydrophobicContact CB-CD1 3.94Å; Q31-F85 HydrophobicContact CB-CG 4.46Å
32Y95.6Very high90.1Very high31 Ų3166.1 Ų66.112%0.12231%0.306CS..EExtended strand (participates in β ladder)trans-140.1158.7179.7-65.4-81.2000109.6Y6 L22 V23 H25 D28 K30 K69 V82 M83Y6-Y32 HydrophobicContact CE1-CD2 4Å; Y6-Y32 HydrophobicContact CE1-CG 4.37Å; L22-Y32 WeakPolarHBondContact CD1-O 3.49Å; V23-Y32 WeakPolarHBondContact CG2-O 3.45Å; V23-Y32 PolarHBondContact N-O 3.48Å; V23-Y32 PolarHBondContact O-N 3.43Å; H25-Y32 HydrophobicContact CB-CD2 3.86Å; H25-Y32 HydrophobicContact CB-CE2 3.8Å; D28-Y32 PolarHBondContact OD2-OH 2.95Å; K30-Y32 HydrophobicContact CB-CD2 4.43Å; K30-Y32 HydrophobicContact CB-CE2 3.61Å; K30-Y32 WeakPolarHBondContact O-CD2 3.43Å; Y32-K69 HydrophobicContact CD1-CD 3.89Å; Y32-K69 HydrophobicContact CD2-CD 4.42Å; Y32-K69 HydrophobicContact CE1-CB 4.37Å; Y32-K69 HydrophobicContact CE1-CD 3.42Å; Y32-K69 VanDerWaalsContact CE1-CD 3.42Å; Y32-K69 HydrophobicContact CE1-CG 4.48Å; Y32-K69 HydrophobicContact CE2-CD 3.98Å; Y32-K69 HydrophobicContact CG-CD 4.38Å; Y32-K69 VanDerWaalsContact CZ-CD 3.47Å; Y32-K69 VanDerWaalsContact CZ-NZ 3.33Å; Y32-K69 PolarHBondContact OH-NZ 2.92Å; Y32-V82 HydrophobicContact CD1-CG1 4.26Å; Y32-V82 HydrophobicContact CG-CG1 4.1Å; Y32-M83 CarbonylContact C-O 3.48Å; Y32-M83 WeakPolarHBondContact CA-O 3.42Å; Y32-M83 WeakPolarHBondContact CB-O 3.25Å; Y32-M83 WeakPolarHBondContact CD1-O 3.48Å
33V94.1Very high89.3Confident13 Ų1368.4 Ų68.48%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-103.5140.2165.5-65.30000110V12 V20 T21 V82 M83 F85V12-V33 HydrophobicContact CG2-CG1 4.13Å; V20-V33 HydrophobicContact CG1-CB 3.95Å; V20-V33 HydrophobicContact CG1-CG1 4.37Å; T21-V33 CarbonylContact O-C 3.59Å; T21-V33 VanDerWaalsContact O-CA 3.32Å; T21-V33 WeakPolarHBondContact O-CA 2.93Å; V33-V82 WeakPolarHBondContact O-CA 3.43Å; V33-M83 HydrophobicContact CG2-CB 3.9Å; V33-M83 HydrophobicContact CG2-CE 3.96Å; V33-M83 PolarHBondContact N-O 3.5Å; V33-M83 PolarHBondContact O-N 2.86Å; V33-F85 HydrophobicContact CG1-CB 4.33Å; V33-F85 HydrophobicContact CG1-CD2 3.71Å; V33-F85 HydrophobicContact CG1-CG 4.42Å
34I93.1Very high88.5Confident5 Ų573 Ų733%0.02635%0.354CS..EExtended strand (participates in β ladder)trans-111117.1169.5-50.1-171.1000108Y6 V20 T21 V23 W72 Y80 I81 V82Y6-I34 HydrophobicContact CD1-CD1 4.45Å; Y6-I34 HydrophobicContact CG-CD1 4.19Å; V20-I34 WeakPolarHBondContact CA-O 3.4Å; T21-I34 PolarHBondContact N-O 3.22Å; T21-I34 PolarHBondContact O-N 3.14Å; V23-I34 HydrophobicContact CB-CD1 4.44Å; V23-I34 HydrophobicContact CG1-CD1 3.81Å; V23-I34 HydrophobicContact CG1-CG1 3.97Å; V23-I34 HydrophobicContact CG2-CD1 3.89Å; V23-I34 HydrophobicContact CG2-CG1 3.7Å; I34-W72 HydrophobicContact CD1-CH2 4.27Å; I34-Y80 HydrophobicContact CG2-CD1 3.81Å; I34-Y80 HydrophobicContact CG2-CG 4.49Å; I34-I81 WeakPolarHBondContact CA-O 3.44Å; I34-V82 HydrophobicContact CD1-CG2 4.33Å; I34-V82 HydrophobicContact CG1-CG1 4.48Å; I34-V82 HydrophobicContact CG1-CG2 4.14Å
35K89.3Confident87.6Confident29 Ų2975.6 Ų75.613%0.12636%0.362CS..EExtended strand (participates in β ladder)trans-89.5125.4171-171179177.9178.40107.7V20 L37 I81 D149V20-K35 HydrophobicContact CG2-CG 4.33Å; K35-L37 HydrophobicContact CD-CD1 4.16Å; K35-L37 HydrophobicContact CG-CD1 3.88Å; K35-I81 PolarHBondContact N-O 3.32Å; K35-I81 PolarHBondContact O-N 3.44Å; K35-D149 IonicContact NZ-OD1 3.6Å; K35-D149 PolarHBondContact NZ-OD1 3.33Å
36K87.5Confident86.6Confident50 Ų5080.4 Ų80.422%0.21738%0.384CS..EExtended strand (participates in β ladder)trans-106.2111.1-179.4-54.3173.7-167.91670109.7E19 T21 Y80E19-K36 HydrophobicContact CB-CD 4.47Å; E19-K36 PolarHBondContact O-N 3.04Å; E19-K36 VanDerWaalsContact O-N 3.11Å; E19-K36 IonicContact OE1-NZ 3.54Å; E19-K36 PolarHBondContact OE1-NZ 3.1Å; T21-K36 VanDerWaalsContact OG1-CE 3.31Å; T21-K36 WeakPolarHBondContact OG1-CE 3.36Å; T21-K36 PolarHBondContact OG1-NZ 3.19Å; K36-Y80 HydrophobicContact CD-CE1 4.21Å; K36-Y80 HydrophobicContact CG-CD1 4Å; K36-Y80 HydrophobicContact CG-CE1 3.91Å
37L83.3Confident86Confident20 Ų2076.1 Ų76.111%0.10537%0.368CS..EExtended strand (participates in β ladder)trans-97.4139.3174.1-70.675.4000109.2K35 L78 L79 I81K35-L37 HydrophobicContact CD-CD1 4.16Å; K35-L37 HydrophobicContact CG-CD1 3.88Å; L37-L78 CarbonylContact O-C 3.41Å; L37-L78 VanDerWaalsContact O-CA 3.28Å; L37-L78 WeakPolarHBondContact O-CA 3.33Å; L37-L79 HydrophobicContact CB-CB 4.31Å; L37-L79 PolarHBondContact N-O 3.47Å; L37-L79 PolarHBondContact O-N 3.01Å; L37-I81 HydrophobicContact CD1-CD1 4.04Å; L37-I81 HydrophobicContact CD1-CG1 4.43Å
38N83.1Confident85.5Confident105 Ų10574 Ų7456%0.56136%0.36SS*.EExtended strand (participates in β ladder)trans-92.7110.5180-177.715.8000111R40 L78N38-R40 WeakPolarHBondContact OD1-CB 3.46Å; N38-R40 VanDerWaalsContact OD1-CG 3.28Å; N38-R40 WeakPolarHBondContact OD1-CG 3.44Å; N38-R40 PolarHBondContact OD1-N 3.39Å; N38-L78 HydrophobicContact CB-CD2 3.96Å
39L83.9Confident84.7Confident12 Ų1271.2 Ų71.26%0.06335%0.347CS..  trans-107.44.7179.4-59.9-175.4000113.4N41 A42 R47 A50 G77 L79L39-N41 VanDerWaalsContact C-N 3.33Å; L39-N41 PolarHBondContact O-N 2.97Å; L39-A42 HydrophobicContact CB-CB 4.1Å; L39-A42 HydrophobicContact CD2-CB 3.88Å; L39-A42 WeakPolarHBondContact O-CB 3.45Å; L39-A42 PolarHBondContact O-N 3.19Å; L39-R47 HydrophobicContact CB-CG 4.32Å; L39-R47 HydrophobicContact CD1-CG 4.36Å; L39-R47 PolarHBondContact O-NE 3.42Å; L39-R47 PolarHBondContact O-NH2 3.36Å; L39-A50 HydrophobicContact CD1-CB 4.28Å; L39-A50 HydrophobicContact CD2-CB 4.14Å; L39-G77 CarbonylContact C-O 3.57Å; L39-G77 WeakPolarHBondContact CA-O 3.2Å; L39-G77 PolarHBondContact N-O 3.43Å; L39-L79 HydrophobicContact CD1-CB 3.63Å; L39-L79 HydrophobicContact CD1-CD2 4.37Å; L39-L79 HydrophobicContact CG-CB 4.14Å
40R82.7Confident84.2Confident145 Ų14569.9 Ų69.955%0.54733%0.332SS..THydrogen-bonded Turntrans-50.3-50.8-176.1-71176177.8-168.7-3.4113N38 D76 G77N38-R40 WeakPolarHBondContact OD1-CB 3.46Å; N38-R40 VanDerWaalsContact OD1-CG 3.28Å; N38-R40 WeakPolarHBondContact OD1-CG 3.44Å; N38-R40 PolarHBondContact OD1-N 3.39Å; R40-D76 VanDerWaalsContact CZ-O 3.29Å; R40-D76 PolarHBondContact NE-O 2.96Å; R40-D76 PolarHBondContact NH2-O 2.86Å; R40-G77 PolarHBondContact N-O 3.08Å; R40-G77 VanDerWaalsContact N-O 3.1Å
41N80.5Confident83.6Confident158 Ų15868.9 Ų68.985%0.84533%0.329SS*.THydrogen-bonded Turntrans-100.93.8-179.4-59.313.6000112.2L39L39-N41 VanDerWaalsContact C-N 3.33Å; L39-N41 PolarHBondContact O-N 2.97Å
42A78.4Confident82.9Confident16 Ų1669.6 Ų69.613%0.13233%0.333CS..  trans-72.8132.1-178.600000110.3L39 E46 R47L39-A42 HydrophobicContact CB-CB 4.1Å; L39-A42 HydrophobicContact CD2-CB 3.88Å; L39-A42 WeakPolarHBondContact O-CB 3.45Å; L39-A42 PolarHBondContact O-N 3.19Å; A42-E46 HydrophobicContact CB-CB 3.88Å; A42-R47 HydrophobicContact CB-CG 4.17Å; A42-R47 PolarHBondContact O-NE 3.31Å; A42-R47 VanDerWaalsContact O-NE 3.16Å
43S79.2Confident82.1Confident53 Ų5368.5 Ų68.537%0.37133%0.329SS..  trans-60.9163.9176.368.50000112.1R45 E46 R47S43-R45 PolarHBondContact O-N 3.24Å; S43-R45 PolarHBondContact OG-N 3.23Å; S43-E46 WeakPolarHBondContact CB-OE2 3.35Å; S43-E46 PolarHBondContact N-OE2 3.29Å; S43-E46 PolarHBondContact O-N 2.66Å; S43-E46 VanDerWaalsContact O-N 3.08Å; S43-E46 PolarHBondContact OG-N 3.07Å; S43-E46 PolarHBondContact OG-OE2 2.94Å; S43-R47 WeakPolarHBondContact O-CG 3.32Å; S43-R47 PolarHBondContact O-N 2.8Å
44S79.3Confident81.7Confident100 Ų10068 Ų6870%0.69933%0.326SS*.Hα-helixtrans-57.5-21.4173.2-50.30000113.6R48S44-R48 WeakPolarHBondContact O-CB 3.45Å; S44-R48 PolarHBondContact O-N 3.44Å
45R75.9Confident81.3Confident159 Ų15973.7 Ų73.760%0.635%0.353SS*.Hα-helixtrans-76.5-49173.4176.6175.2166.8170.7-7.4111S43 R48 A49 L156S43-R45 PolarHBondContact O-N 3.24Å; S43-R45 PolarHBondContact OG-N 3.23Å; R45-R48 PolarHBondContact O-N 2.92Å; R45-A49 WeakPolarHBondContact O-CB 3.4Å; R45-A49 PolarHBondContact O-N 2.98Å; R45-L156 HydrophobicContact CG-CD2 4.43Å; R45-L156 PolarHBondContact NH2-O 2.67Å; R45-L156 VanDerWaalsContact NH2-O 3.1Å
46E75.9Confident81.1Confident106 Ų10674.7 Ų74.750%0.49536%0.359SS..Hα-helixtrans-69-33.6179.4-68.3157.898.100113A42 S43 A49 A50A42-E46 HydrophobicContact CB-CB 3.88Å; S43-E46 WeakPolarHBondContact CB-OE2 3.35Å; S43-E46 PolarHBondContact N-OE2 3.29Å; S43-E46 PolarHBondContact O-N 2.66Å; S43-E46 VanDerWaalsContact O-N 3.08Å; S43-E46 PolarHBondContact OG-N 3.07Å; S43-E46 PolarHBondContact OG-OE2 2.94Å; E46-A49 VanDerWaalsContact O-CB 3.27Å; E46-A49 WeakPolarHBondContact O-CB 3.44Å; E46-A49 PolarHBondContact O-N 2.68Å; E46-A50 PolarHBondContact O-N 3.32Å; E46-A50 VanDerWaalsContact O-N 3.09Å
47R81.3Confident81.1Confident71 Ų7173.6 Ų73.627%0.26836%0.355SS..Hα-helixtrans-62.4-52.8172.1-72.4173.1172-101.30.4111L39 A42 S43 A49 A50 E51 E73L39-R47 HydrophobicContact CB-CG 4.32Å; L39-R47 HydrophobicContact CD1-CG 4.36Å; L39-R47 PolarHBondContact O-NE 3.42Å; L39-R47 PolarHBondContact O-NH2 3.36Å; A42-R47 HydrophobicContact CB-CG 4.17Å; A42-R47 PolarHBondContact O-NE 3.31Å; A42-R47 VanDerWaalsContact O-NE 3.16Å; S43-R47 WeakPolarHBondContact O-CG 3.32Å; S43-R47 PolarHBondContact O-N 2.8Å; R47-A49 PolarHBondContact O-N 2.95Å; R47-A50 PolarHBondContact O-N 2.94Å; R47-A50 VanDerWaalsContact O-N 3.14Å; R47-E51 WeakPolarHBondContact O-CG 3.45Å; R47-E51 PolarHBondContact O-N 3.41Å; R47-E73 IonicContact CZ-OE1 3.81Å; R47-E73 IonicContact NH1-OE1 2.82Å; R47-E73 PolarHBondContact NH1-OE1 3.46Å; R47-E73 IonicContact NH1-OE2 3.78Å; R47-E73 PolarHBondContact NH1-OE2 3.26Å; R47-E73 IonicContact NH2-OE1 3.52Å
48R80.4Confident81.5Confident159 Ų15974.8 Ų74.860%0.637%0.365SS*.Hα-helixtrans-59-34.6175.5-174.2-179.3-65.5166.91112.3S44 R45 Q52S44-R48 WeakPolarHBondContact O-CB 3.45Å; S44-R48 PolarHBondContact O-N 3.44Å; R45-R48 PolarHBondContact O-N 2.92Å; R48-Q52 HydrophobicContact CG-CG 4.44Å; R48-Q52 WeakPolarHBondContact O-CB 3.32Å; R48-Q52 VanDerWaalsContact O-CG 3.24Å; R48-Q52 WeakPolarHBondContact O-CG 3.34Å; R48-Q52 PolarHBondContact O-N 3.39Å
49A76.1Confident81.8Confident10 Ų1075.1 Ų75.18%0.08336%0.364CS..Hα-helixtrans-58.3-52.5173.600000112R45 E46 R47 Q52 E53 L156R45-A49 WeakPolarHBondContact O-CB 3.4Å; R45-A49 PolarHBondContact O-N 2.98Å; E46-A49 VanDerWaalsContact O-CB 3.27Å; E46-A49 WeakPolarHBondContact O-CB 3.44Å; E46-A49 PolarHBondContact O-N 2.68Å; R47-A49 PolarHBondContact O-N 2.95Å; A49-Q52 PolarHBondContact O-N 2.85Å; A49-E53 PolarHBondContact O-N 3.39Å; A49-L156 HydrophobicContact CB-CB 4.45Å; A49-L156 HydrophobicContact CB-CD1 3.56Å; A49-L156 HydrophobicContact CB-CD2 3.65Å; A49-L156 HydrophobicContact CB-CG 4.04Å
50A79.8Confident82.2Confident6 Ų675 Ų755%0.0536%0.363CS..Hα-helixtrans-69.1-33.8-177.300000112.3L39 E46 R47 A54 L79L39-A50 HydrophobicContact CD1-CB 4.28Å; L39-A50 HydrophobicContact CD2-CB 4.14Å; E46-A50 PolarHBondContact O-N 3.32Å; E46-A50 VanDerWaalsContact O-N 3.09Å; R47-A50 PolarHBondContact O-N 2.94Å; R47-A50 VanDerWaalsContact O-N 3.14Å; A50-A54 WeakPolarHBondContact O-CB 3.16Å; A50-A54 PolarHBondContact O-N 2.97Å; A50-L79 HydrophobicContact CB-CD2 3.61Å
51E80.9Confident82.6Confident111 Ų11176.2 Ų76.252%0.51937%0.372SS..Hα-helixtrans-62.2-47.1169.3-70174.5154.600112R47 A54 Q55R47-E51 WeakPolarHBondContact O-CG 3.45Å; R47-E51 PolarHBondContact O-N 3.41Å; E51-A54 PolarHBondContact O-N 2.91Å; E51-Q55 WeakPolarHBondContact O-CB 3.45Å; E51-Q55 PolarHBondContact O-N 2.78Å
52Q80Confident83.3Confident102 Ų10270 Ų7048%0.47734%0.338SS..Hα-helixtrans-66.2-36.5178.3-75.1176.3-12.500112.2R48 A49 Q55 L56R48-Q52 HydrophobicContact CG-CG 4.44Å; R48-Q52 WeakPolarHBondContact O-CB 3.32Å; R48-Q52 VanDerWaalsContact O-CG 3.24Å; R48-Q52 WeakPolarHBondContact O-CG 3.34Å; R48-Q52 PolarHBondContact O-N 3.39Å; A49-Q52 PolarHBondContact O-N 2.85Å; Q52-Q55 PolarHBondContact O-N 3.24Å; Q52-L56 WeakPolarHBondContact O-CB 3.33Å; Q52-L56 PolarHBondContact O-N 2.89Å
53E79.6Confident84.1Confident8 Ų871 Ų714%0.03734%0.341CS..Hα-helixtrans-60.2-51.8170.2169.9169-10700111.1A49 Q55 L56 L57 I152 A153A49-E53 PolarHBondContact O-N 3.39Å; E53-Q55 VanDerWaalsContact C-N 3.3Å; E53-Q55 PolarHBondContact O-N 2.88Å; E53-L56 PolarHBondContact O-N 3.25Å; E53-L56 VanDerWaalsContact O-N 3.14Å; E53-L57 HydrophobicContact CG-CD1 3.9Å; E53-L57 HydrophobicContact CG-CG 4.34Å; E53-L57 WeakPolarHBondContact O-CB 3.42Å; E53-L57 VanDerWaalsContact O-CG 3.29Å; E53-L57 WeakPolarHBondContact O-CG 3.37Å; E53-L57 PolarHBondContact O-N 2.92Å; E53-I152 HydrophobicContact CB-CB 4.23Å; E53-I152 HydrophobicContact CB-CG2 3.87Å; E53-I152 HydrophobicContact CG-CB 3.91Å; E53-I152 HydrophobicContact CG-CG2 4.11Å; E53-I152 WeakPolarHBondContact OE1-CB 3.06Å; E53-I152 PolarHBondContact OE1-N 2.84Å; E53-A153 PolarHBondContact OE1-N 3.09Å
54A84.4Confident84.9Confident4 Ų468.5 Ų68.53%0.03332%0.323CS..Hα-helixtrans-61.3-38.8178.500000112.3A50 E51 S58 I81A50-A54 WeakPolarHBondContact O-CB 3.16Å; A50-A54 PolarHBondContact O-N 2.97Å; E51-A54 PolarHBondContact O-N 2.91Å; A54-S58 PolarHBondContact O-N 3.46Å; A54-I81 HydrophobicContact CB-CD1 4.33Å
55Q85.9Confident85.7Confident124 Ų12464 Ų6458%0.57929%0.291SS*.Hα-helixtrans-64.4-40.2174.2-169.6-176.19.300111.9E51 Q52 E53 S58 Q59E51-Q55 WeakPolarHBondContact O-CB 3.45Å; E51-Q55 PolarHBondContact O-N 2.78Å; Q52-Q55 PolarHBondContact O-N 3.24Å; E53-Q55 VanDerWaalsContact C-N 3.3Å; E53-Q55 PolarHBondContact O-N 2.88Å; Q55-S58 PolarHBondContact O-N 3.15Å; Q55-S58 PolarHBondContact O-OG 3.15Å; Q55-Q59 PolarHBondContact O-NE2 3.39Å
56L85.1Confident86.6Confident49 Ų4957.1 Ų57.126%0.25727%0.267SS..Hα-helixtrans-67.9-46.8176.5-174.157.6000111Q52 E53 S58 Q59 I127 I152Q52-L56 WeakPolarHBondContact O-CB 3.33Å; Q52-L56 PolarHBondContact O-N 2.89Å; E53-L56 PolarHBondContact O-N 3.25Å; E53-L56 VanDerWaalsContact O-N 3.14Å; L56-S58 PolarHBondContact O-N 3.19Å; L56-Q59 WeakPolarHBondContact O-CB 3.37Å; L56-Q59 PolarHBondContact O-N 3.34Å; L56-I127 HydrophobicContact CD1-CD1 3.85Å; L56-I127 HydrophobicContact CD2-CD1 4.17Å; L56-I127 HydrophobicContact CD2-CG1 4.33Å; L56-I127 HydrophobicContact CD2-CG2 4.49Å; L56-I127 HydrophobicContact CG-CD1 4.18Å; L56-I152 HydrophobicContact CB-CD1 4.49Å; L56-I152 HydrophobicContact CD2-CD1 3.88Å; L56-I152 HydrophobicContact CD2-CG1 4.1Å; L56-I152 HydrophobicContact CD2-CG2 3.98Å; L56-I152 HydrophobicContact CG-CD1 4.24Å
57L87.9Confident87.3Confident27 Ų2755.8 Ų55.814%0.14127%0.266CS..Hα-helixtrans-54.5-39.7175.2-70.8172.3000112.1E53 Q59 L60 Y68 I81 L150 I152E53-L57 HydrophobicContact CG-CD1 3.9Å; E53-L57 HydrophobicContact CG-CG 4.34Å; E53-L57 WeakPolarHBondContact O-CB 3.42Å; E53-L57 VanDerWaalsContact O-CG 3.29Å; E53-L57 WeakPolarHBondContact O-CG 3.37Å; E53-L57 PolarHBondContact O-N 2.92Å; L57-Q59 PolarHBondContact O-N 3.02Å; L57-Q59 VanDerWaalsContact O-N 3.17Å; L57-L60 HydrophobicContact CD2-CD1 4.43Å; L57-L60 PolarHBondContact O-N 3.04Å; L57-L60 VanDerWaalsContact O-N 3.14Å; L57-Y68 HydrophobicContact CB-CD2 3.93Å; L57-I81 HydrophobicContact CD1-CD1 4.49Å; L57-L150 HydrophobicContact CD2-CB 4.31Å; L57-L150 HydrophobicContact CD2-CD1 3.62Å; L57-I152 HydrophobicContact CD2-CD1 3.95Å; L57-I152 HydrophobicContact CG-CD1 4.19Å
58S90.4Very high87.9Confident45 Ų4554.9 Ų54.932%0.31526%0.263SS..Hα-helixtrans-62.2-21.1178.480.90000114.9A54 Q55 L56 Y68A54-S58 PolarHBondContact O-N 3.46Å; Q55-S58 PolarHBondContact O-N 3.15Å; Q55-S58 PolarHBondContact O-OG 3.15Å; L56-S58 PolarHBondContact O-N 3.19Å; S58-Y68 VanDerWaalsContact CA-CD1 3.5Å; S58-Y68 VanDerWaalsContact CB-CE1 3.41Å
59Q90.2Very high88.6Confident112 Ų11250 Ų5052%0.52325%0.246SC..Hα-helixtrans-90.1-12.2179.8-64.3168.268.700113Q55 L56 L57Q55-Q59 PolarHBondContact O-NE2 3.39Å; L56-Q59 WeakPolarHBondContact O-CB 3.37Å; L56-Q59 PolarHBondContact O-N 3.34Å; L57-Q59 PolarHBondContact O-N 3.02Å; L57-Q59 VanDerWaalsContact O-N 3.17Å
60L91.3Very high89.4Confident11 Ų1152 Ų526%0.05825%0.254CS..  trans-85.7117.2-175.6-54.7-177000111.3L57 Y121 L122 K125 I127 L150L57-L60 HydrophobicContact CD2-CD1 4.43Å; L57-L60 PolarHBondContact O-N 3.04Å; L57-L60 VanDerWaalsContact O-N 3.14Å; L60-Y121 HydrophobicContact CB-CE1 4.43Å; L60-Y121 HydrophobicContact CD2-CE1 4.1Å; L60-L122 HydrophobicContact CD1-CD2 4.01Å; L60-K125 HydrophobicContact CD2-CD 4.23Å; L60-I127 HydrophobicContact CD2-CD1 3.57Å; L60-L150 HydrophobicContact CD1-CD1 3.37Å
61K92.8Very high90Very high170 Ų17053.5 Ų53.574%0.73926%0.264SS*.  trans-135.390.5-177-65.1178.5-175.7173.80108.7Y121K61-Y121 PolarHBondContact N-OH 3.27Å; K61-Y121 WeakPolarHBondContact O-CE2 3.5Å; K61-Y121 PolarHBondContact O-OH 3.46Å
62H94.7Very high90.5Very high28 Ų2849.5 Ų49.513%0.1325%0.245CC..  trans-143.4145178-174.9-105.6000109.4N64 I65 Y121H62-N64 VanDerWaalsContact C-N 3.33Å; H62-N64 PolarHBondContact ND1-N 3.44Å; H62-N64 PolarHBondContact O-N 3.13Å; H62-I65 HydrophobicContact CB-CB 4.19Å; H62-I65 HydrophobicContact CB-CD1 3.87Å; H62-I65 HydrophobicContact CB-CG1 3.96Å; H62-I65 PolarHBondContact O-N 2.81Å; H62-Y121 HydrophobicContact CB-CD1 3.82Å; H62-Y121 HydrophobicContact CB-CD2 4.04Å; H62-Y121 HydrophobicContact CB-CE1 3.95Å; H62-Y121 HydrophobicContact CB-CE2 4.14Å; H62-Y121 HydrophobicContact CB-CG 3.87Å; H62-Y121 AromaticContact CD2-CD2 3.81Å; H62-Y121 AromaticContact CD2-CG 3.9Å; H62-Y121 AromaticContact CG-CG 3.92Å
63L94.9Very high90.9Very high36 Ų3648.5 Ų48.519%0.18824%0.24CC..THydrogen-bonded Turntrans-61.3-42.4-174.6-178.166.7000112.3I65 K146 A661 L662 L665L63-I65 VanDerWaalsContact C-N 3.3Å; L63-I65 PolarHBondContact O-N 3.21Å; L63-K146 PolarHBondContact O-NZ 3.36Å; L63-A661 HydrophobicContact CD1-CB 4.08Å; L63-A661 HydrophobicContact CD2-CB 3.95Å; L63-L662 VanDerWaalsContact CD2-CA 3.4Å; L63-L662 HydrophobicContact CD2-CB 3.71Å; L63-L662 HydrophobicContact CD2-CD1 4.25Å; L63-L662 VanDerWaalsContact CD2-N 3.27Å; L63-L665 HydrophobicContact CB-CD2 4.14Å; L63-L665 HydrophobicContact CD2-CD2 4.45Å
64N96.9Very high91.3Very high0 Ų048.4 Ų48.40%024%0.241CC..THydrogen-bonded Turntrans-92.223.2-178.7-54107.6000113.4H62 Q114 A118 I145 K146 V147 L665H62-N64 VanDerWaalsContact C-N 3.33Å; H62-N64 PolarHBondContact ND1-N 3.44Å; H62-N64 PolarHBondContact O-N 3.13Å; N64-Q114 HydrophobicContact CB-CB 4.44Å; N64-Q114 WeakPolarHBondContact CB-O 3.34Å; N64-Q114 PolarHBondContact ND2-OE1 2.82Å; N64-Q114 VanDerWaalsContact ND2-OE1 3.08Å; N64-A118 HydrophobicContact CB-CB 4.11Å; N64-A118 WeakPolarHBondContact O-CB 3.31Å; N64-I145 VanDerWaalsContact CA-O 3.24Å; N64-I145 WeakPolarHBondContact CA-O 3.46Å; N64-I145 WeakPolarHBondContact CB-O 3.48Å; N64-I145 PolarHBondContact ND2-O 3.34Å; N64-K146 WeakPolarHBondContact O-CA 3.23Å; N64-V147 PolarHBondContact O-N 2.89Å; N64-L665 WeakPolarHBondContact OD1-CD2 3.46Å
65I95.5Very high91.3Very high5 Ų552.2 Ų52.23%0.02628%0.28CS..BIsolated β-bridgetrans-116.8143.1167.9-64.3179.9000108.7H62 L63 T67 A118 Y121 L122 V147H62-I65 HydrophobicContact CB-CB 4.19Å; H62-I65 HydrophobicContact CB-CD1 3.87Å; H62-I65 HydrophobicContact CB-CG1 3.96Å; H62-I65 PolarHBondContact O-N 2.81Å; L63-I65 VanDerWaalsContact C-N 3.3Å; L63-I65 PolarHBondContact O-N 3.21Å; I65-T67 PolarHBondContact O-N 2.97Å; I65-A118 HydrophobicContact CG1-CB 3.89Å; I65-Y121 HydrophobicContact CD1-CD1 3.62Å; I65-Y121 HydrophobicContact CD1-CE1 4.08Å; I65-L122 HydrophobicContact CD1-CD1 4.26Å; I65-L122 HydrophobicContact CD1-CD2 4.03Å; I65-L122 HydrophobicContact CD1-CG 3.95Å; I65-V147 CarbonylContact C-O 3.54Å; I65-V147 WeakPolarHBondContact CA-O 3.35Å
66V93.8Very high91.4Very high15 Ų1549 Ų499%0.09127%0.267CS..PPolyproline II helixtrans-61.9121.2175171.90000109.2Y68 M83 F138 K146 V147V66-Y68 PolarHBondContact O-N 2.91Å; V66-M83 HydrophobicContact CG1-CB 3.85Å; V66-M83 HydrophobicContact CG1-CE 4.36Å; V66-M83 HydrophobicContact CG1-SD 4.28Å; V66-F138 HydrophobicContact CG2-CD2 3.77Å; V66-F138 HydrophobicContact CG2-CE2 4.37Å; V66-K146 HydrophobicContact CG2-CB 3.82Å; V66-V147 PolarHBondContact N-O 3.05Å
67T92.2Very high91.4Very high78 Ų7847.2 Ų47.248%0.47926%0.26SS..PPolyproline II helixtrans-76.6118.1-168.9-47.60000111.6I65 M83 G84I65-T67 PolarHBondContact O-N 2.97Å; T67-M83 CarbonylContact O-C 3.52Å; T67-M83 WeakPolarHBondContact O-CA 3.4Å; T67-G84 PolarHBondContact O-N 3.15Å
68Y93.6Very high91.4Very high52 Ų5247.3 Ų47.320%0.20426%0.261CS..EExtended strand (participates in β ladder)trans-63.7144.7167.8172.8-83.4000111.1L57 S58 V66 E70 S71 I81L57-Y68 HydrophobicContact CB-CD2 3.93Å; S58-Y68 VanDerWaalsContact CA-CD1 3.5Å; S58-Y68 VanDerWaalsContact CB-CE1 3.41Å; V66-Y68 PolarHBondContact O-N 2.91Å; Y68-E70 WeakPolarHBondContact OH-CA 3.4Å; Y68-S71 PolarHBondContact OH-N 3.42Å; Y68-S71 VanDerWaalsContact OH-N 3.13Å; Y68-S71 PolarHBondContact OH-OG 2.93Å; Y68-I81 HydrophobicContact CD2-CG2 4.19Å; Y68-I81 HydrophobicContact CE2-CG2 4.22Å
69K93.6Very high91.3Very high56 Ų5645.6 Ų45.624%0.24325%0.248CC..EExtended strand (participates in β ladder)trans-114.9-58.7172.3-179.9165174.3178.90113Y6 H25 D28 Y32 V82Y6-K69 WeakPolarHBondContact OH-CD 3.49Å; Y6-K69 WeakPolarHBondContact OH-CE 3.42Å; Y6-K69 PolarHBondContact OH-NZ 2.86Å; H25-K69 PolarHBondContact ND1-NZ 2.81Å; H25-K69 VanDerWaalsContact ND1-NZ 3.16Å; D28-K69 IonicContact OD2-NZ 2.7Å; D28-K69 PolarHBondContact OD2-NZ 2.92Å; Y32-K69 HydrophobicContact CD1-CD 3.89Å; Y32-K69 HydrophobicContact CD2-CD 4.42Å; Y32-K69 HydrophobicContact CE1-CB 4.37Å; Y32-K69 HydrophobicContact CE1-CD 3.42Å; Y32-K69 VanDerWaalsContact CE1-CD 3.42Å; Y32-K69 HydrophobicContact CE1-CG 4.48Å; Y32-K69 HydrophobicContact CE2-CD 3.98Å; Y32-K69 HydrophobicContact CG-CD 4.38Å; Y32-K69 VanDerWaalsContact CZ-CD 3.47Å; Y32-K69 VanDerWaalsContact CZ-NZ 3.33Å; Y32-K69 PolarHBondContact OH-NZ 2.92Å; K69-V82 HydrophobicContact CB-CB 4.32Å; K69-V82 HydrophobicContact CB-CG1 4.18Å; K69-V82 HydrophobicContact CD-CG1 4.46Å; K69-V82 PolarHBondContact N-O 2.96Å
70E93.4Very high91.4Very high52 Ų5241.1 Ų41.124%0.24323%0.227CC..EExtended strand (participates in β ladder)trans-164.2165-176.463-172.4111.100110.6Y6 Y68 W72 V82Y6-E70 PolarHBondContact OH-OE1 2.92Å; Y68-E70 WeakPolarHBondContact OH-CA 3.4Å; E70-W72 HydrophobicContact CG-CE3 4.41Å; E70-W72 HydrophobicContact CG-CZ3 3.97Å; E70-V82 HydrophobicContact CG-CB 3.99Å; E70-V82 HydrophobicContact CG-CG2 3.8Å; E70-V82 WeakPolarHBondContact O-CB 3.3Å; E70-V82 PolarHBondContact O-N 3.17Å
71S92.2Very high91.3Very high38 Ų3840.7 Ų40.727%0.26622%0.224SC..EExtended strand (participates in β ladder)trans-150.9154174.8550000112.2Y68 Y80Y68-S71 PolarHBondContact OH-N 3.42Å; Y68-S71 VanDerWaalsContact OH-N 3.13Å; Y68-S71 PolarHBondContact OH-OG 2.93Å; S71-Y80 CarbonylContact C-O 3.41Å; S71-Y80 WeakPolarHBondContact CA-O 3.45Å; S71-Y80 WeakPolarHBondContact CB-O 3.44Å
72W91.5Very high91.4Very high28 Ų2832.6 Ų32.611%0.10619%0.189CC..EExtended strand (participates in β ladder)trans-155.5147.5175.46486.8000111.4P2 L3 Y6 I34 E70 Y80 V82P2-W72 HydrophobicContact CB-CD2 3.85Å; P2-W72 HydrophobicContact CB-CE3 3.51Å; P2-W72 HydrophobicContact CB-CH2 4.01Å; P2-W72 HydrophobicContact CB-CZ2 4.31Å; P2-W72 HydrophobicContact CB-CZ3 3.57Å; P2-W72 HydrophobicContact CG-CB 4.47Å; P2-W72 HydrophobicContact CG-CD2 3.65Å; P2-W72 HydrophobicContact CG-CE3 3.61Å; P2-W72 HydrophobicContact CG-CG 3.99Å; P2-W72 HydrophobicContact CG-CZ3 4.21Å; L3-W72 HydrophobicContact CD2-CZ2 3.76Å; L3-W72 HydrophobicContact CG-CZ2 3.66Å; Y6-W72 HydrophobicContact CD2-CH2 4.37Å; Y6-W72 HydrophobicContact CE2-CH2 4.37Å; Y6-W72 HydrophobicContact CE2-CZ3 4.42Å; I34-W72 HydrophobicContact CD1-CH2 4.27Å; E70-W72 HydrophobicContact CG-CE3 4.41Å; E70-W72 HydrophobicContact CG-CZ3 3.97Å; W72-Y80 AromaticContact CD1-CD2 3.82Å; W72-Y80 VanDerWaalsContact CE2-CB 3.4Å; W72-Y80 AromaticContact CE2-CD2 3.94Å; W72-Y80 AromaticContact CE2-CG 3.71Å; W72-Y80 VanDerWaalsContact CZ2-CB 3.45Å; W72-Y80 HydrophobicContact CZ2-CD1 4.11Å; W72-Y80 HydrophobicContact CZ2-CD2 4.38Å; W72-Y80 AromaticContact CZ2-CG 3.75Å; W72-Y80 HydrophobicContact CZ2-CG 3.75Å; W72-Y80 PolarHBondContact N-O 3.22Å; W72-Y80 AromaticContact NE1-CD2 3.23Å; W72-Y80 AromaticContact NE1-CE2 4Å; W72-Y80 AromaticContact NE1-CG 3.5Å; W72-Y80 PolarHBondContact O-N 2.92Å; W72-V82 HydrophobicContact CH2-CG2 3.62Å; W72-V82 HydrophobicContact CZ3-CG2 3.44Å; W72-V82 VanDerWaalsContact CZ3-CG2 3.44Å
73E89.7Confident91.3Very high81 Ų8132.2 Ų32.238%0.37919%0.188SC..EExtended strand (participates in β ladder)trans-77.9134.6160.1-168.9176.5166.400108.9R47 L78R47-E73 IonicContact CZ-OE1 3.81Å; R47-E73 IonicContact NH1-OE1 2.82Å; R47-E73 PolarHBondContact NH1-OE1 3.46Å; R47-E73 IonicContact NH1-OE2 3.78Å; R47-E73 PolarHBondContact NH1-OE2 3.26Å; R47-E73 IonicContact NH2-OE1 3.52Å; E73-L78 CarbonylContact C-O 3.28Å; E73-L78 WeakPolarHBondContact CA-O 3.32Å
74G86.6Confident91.3Very high5 Ų531.3 Ų31.35%0.05219%0.187CC..  trans-89.8154.7171.500000111.8D76 G77 L78G74-D76 VanDerWaalsContact CA-OD1 3.23Å; G74-D76 WeakPolarHBondContact CA-OD1 3.48Å; G74-D76 PolarHBondContact O-N 3.31Å; G74-G77 PolarHBondContact O-N 3.32Å; G74-L78 PolarHBondContact N-O 2.93Å
75G85.7Confident91.2Very high84 Ų8433.2 Ų33.287%0.86620%0.195SC*.THydrogen-bonded Turntrans-640.1173.100000114.6
76D88Confident91.1Very high57 Ų5733.4 Ų33.431%0.30520%0.197SC..THydrogen-bonded Turntrans-92.87169.561.1-20.7000113.2R40 G74 L78 Y80R40-D76 VanDerWaalsContact CZ-O 3.29Å; R40-D76 PolarHBondContact NE-O 2.96Å; R40-D76 PolarHBondContact NH2-O 2.86Å; G74-D76 VanDerWaalsContact CA-OD1 3.23Å; G74-D76 WeakPolarHBondContact CA-OD1 3.48Å; G74-D76 PolarHBondContact O-N 3.31Å; D76-L78 VanDerWaalsContact C-N 3.34Å; D76-L78 WeakPolarHBondContact OD2-CD1 3.16Å; D76-Y80 PolarHBondContact OD2-OH 3.38Å
77G85.4Confident91.1Very high11 Ų1137.2 Ų37.211%0.11321%0.214CC..SBendtrans70.824.8178.400000114.3L39 R40 G74L39-G77 CarbonylContact C-O 3.57Å; L39-G77 WeakPolarHBondContact CA-O 3.2Å; L39-G77 PolarHBondContact N-O 3.43Å; R40-G77 PolarHBondContact N-O 3.08Å; R40-G77 VanDerWaalsContact N-O 3.1Å; G74-G77 PolarHBondContact O-N 3.32Å
78L87.7Confident91.1Very high29 Ų2934.9 Ų34.915%0.15221%0.205CC..EExtended strand (participates in β ladder)trans-112133.7177.1-55.3-173.4000110.4L37 N38 E73 G74 D76 Y80L37-L78 CarbonylContact O-C 3.41Å; L37-L78 VanDerWaalsContact O-CA 3.28Å; L37-L78 WeakPolarHBondContact O-CA 3.33Å; N38-L78 HydrophobicContact CB-CD2 3.96Å; E73-L78 CarbonylContact C-O 3.28Å; E73-L78 WeakPolarHBondContact CA-O 3.32Å; G74-L78 PolarHBondContact N-O 2.93Å; D76-L78 VanDerWaalsContact C-N 3.34Å; D76-L78 WeakPolarHBondContact OD2-CD1 3.16Å; L78-Y80 HydrophobicContact CB-CD2 4.34Å; L78-Y80 HydrophobicContact CB-CE2 3.7Å; L78-Y80 VanDerWaalsContact O-CD2 3.24Å; L78-Y80 WeakPolarHBondContact O-CD2 3.39Å; L78-Y80 WeakPolarHBondContact O-CE2 3.44Å
79L87.9Confident91.1Very high10 Ų1033.7 Ų33.75%0.05221%0.209CC..EExtended strand (participates in β ladder)trans-85.9124.2167.317465.6000109.4L37 L39 A50 I81L37-L79 HydrophobicContact CB-CB 4.31Å; L37-L79 PolarHBondContact N-O 3.47Å; L37-L79 PolarHBondContact O-N 3.01Å; L39-L79 HydrophobicContact CD1-CB 3.63Å; L39-L79 HydrophobicContact CD1-CD2 4.37Å; L39-L79 HydrophobicContact CG-CB 4.14Å; A50-L79 HydrophobicContact CB-CD2 3.61Å; L79-I81 HydrophobicContact CD2-CD1 4.2Å; L79-I81 HydrophobicContact CD2-CG1 4.32Å; L79-I81 HydrophobicContact CG-CG1 4.12Å
80Y91Very high91.1Very high17 Ų1731.8 Ų31.87%0.06720%0.201CC..EExtended strand (participates in β ladder)trans-104.5123.1177.6-64.7-94.2000109.3L3 I34 K36 S71 W72 D76 L78L3-Y80 HydrophobicContact CD1-CE1 4.39Å; L3-Y80 HydrophobicContact CD2-CD1 4.31Å; L3-Y80 HydrophobicContact CD2-CE1 4.15Å; I34-Y80 HydrophobicContact CG2-CD1 3.81Å; I34-Y80 HydrophobicContact CG2-CG 4.49Å; K36-Y80 HydrophobicContact CD-CE1 4.21Å; K36-Y80 HydrophobicContact CG-CD1 4Å; K36-Y80 HydrophobicContact CG-CE1 3.91Å; S71-Y80 CarbonylContact C-O 3.41Å; S71-Y80 WeakPolarHBondContact CA-O 3.45Å; S71-Y80 WeakPolarHBondContact CB-O 3.44Å; W72-Y80 AromaticContact CD1-CD2 3.82Å; W72-Y80 VanDerWaalsContact CE2-CB 3.4Å; W72-Y80 AromaticContact CE2-CD2 3.94Å; W72-Y80 AromaticContact CE2-CG 3.71Å; W72-Y80 VanDerWaalsContact CZ2-CB 3.45Å; W72-Y80 HydrophobicContact CZ2-CD1 4.11Å; W72-Y80 HydrophobicContact CZ2-CD2 4.38Å; W72-Y80 AromaticContact CZ2-CG 3.75Å; W72-Y80 HydrophobicContact CZ2-CG 3.75Å; W72-Y80 PolarHBondContact N-O 3.22Å; W72-Y80 AromaticContact NE1-CD2 3.23Å; W72-Y80 AromaticContact NE1-CE2 4Å; W72-Y80 AromaticContact NE1-CG 3.5Å; W72-Y80 PolarHBondContact O-N 2.92Å; D76-Y80 PolarHBondContact OD2-OH 3.38Å; L78-Y80 HydrophobicContact CB-CD2 4.34Å; L78-Y80 HydrophobicContact CB-CE2 3.7Å; L78-Y80 VanDerWaalsContact O-CD2 3.24Å; L78-Y80 WeakPolarHBondContact O-CD2 3.39Å; L78-Y80 WeakPolarHBondContact O-CE2 3.44Å
81I90.9Very high91.2Very high2 Ų229.3 Ų29.31%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-117.3121.8175.7-55.3178.2000108.8I34 K35 L37 A54 L57 Y68 L79 M83I34-I81 WeakPolarHBondContact CA-O 3.44Å; K35-I81 PolarHBondContact N-O 3.32Å; K35-I81 PolarHBondContact O-N 3.44Å; L37-I81 HydrophobicContact CD1-CD1 4.04Å; L37-I81 HydrophobicContact CD1-CG1 4.43Å; A54-I81 HydrophobicContact CB-CD1 4.33Å; L57-I81 HydrophobicContact CD1-CD1 4.49Å; Y68-I81 HydrophobicContact CD2-CG2 4.19Å; Y68-I81 HydrophobicContact CE2-CG2 4.22Å; L79-I81 HydrophobicContact CD2-CD1 4.2Å; L79-I81 HydrophobicContact CD2-CG1 4.32Å; L79-I81 HydrophobicContact CG-CG1 4.12Å; I81-M83 HydrophobicContact CG2-CG 4.16Å
82V93.6Very high91.4Very high0 Ų030 Ų300%019%0.187CC..EExtended strand (participates in β ladder)trans-99.5125.9-179.5-169.40000110.4Y6 Y32 V33 I34 K69 E70 W72Y6-V82 HydrophobicContact CE1-CG1 3.95Å; Y6-V82 HydrophobicContact CE2-CG2 4.43Å; Y32-V82 HydrophobicContact CD1-CG1 4.26Å; Y32-V82 HydrophobicContact CG-CG1 4.1Å; V33-V82 WeakPolarHBondContact O-CA 3.43Å; I34-V82 HydrophobicContact CD1-CG2 4.33Å; I34-V82 HydrophobicContact CG1-CG1 4.48Å; I34-V82 HydrophobicContact CG1-CG2 4.14Å; K69-V82 HydrophobicContact CB-CB 4.32Å; K69-V82 HydrophobicContact CB-CG1 4.18Å; K69-V82 HydrophobicContact CD-CG1 4.46Å; K69-V82 PolarHBondContact N-O 2.96Å; E70-V82 HydrophobicContact CG-CB 3.99Å; E70-V82 HydrophobicContact CG-CG2 3.8Å; E70-V82 WeakPolarHBondContact O-CB 3.3Å; E70-V82 PolarHBondContact O-N 3.17Å; W72-V82 HydrophobicContact CH2-CG2 3.62Å; W72-V82 HydrophobicContact CZ3-CG2 3.44Å; W72-V82 VanDerWaalsContact CZ3-CG2 3.44Å
83M93.5Very high91.5Very high21 Ų2135.6 Ų35.610%0.10321%0.208CC..EExtended strand (participates in β ladder)trans-131.2157.6-179.3-44.8-171.6-6100111.1Y32 V33 V66 T67 I81 F85Y32-M83 CarbonylContact C-O 3.48Å; Y32-M83 WeakPolarHBondContact CA-O 3.42Å; Y32-M83 WeakPolarHBondContact CB-O 3.25Å; Y32-M83 WeakPolarHBondContact CD1-O 3.48Å; V33-M83 HydrophobicContact CG2-CB 3.9Å; V33-M83 HydrophobicContact CG2-CE 3.96Å; V33-M83 PolarHBondContact N-O 3.5Å; V33-M83 PolarHBondContact O-N 2.86Å; V66-M83 HydrophobicContact CG1-CB 3.85Å; V66-M83 HydrophobicContact CG1-CE 4.36Å; V66-M83 HydrophobicContact CG1-SD 4.28Å; T67-M83 CarbonylContact O-C 3.52Å; T67-M83 WeakPolarHBondContact O-CA 3.4Å; I81-M83 HydrophobicContact CG2-CG 4.16Å; M83-F85 PolarHBondContact O-N 3.26Å
84G93.8Very high91.7Very high16 Ų1634.4 Ų34.417%0.16520%0.201CC..EExtended strand (participates in β ladder)trans-58.4133.217300000111.9T67T67-G84 PolarHBondContact O-N 3.15Å
85F94.6Very high92.2Very high40 Ų4034.5 Ų34.518%0.17520%0.201CC..  trans-72.8151.6171-179.7-129.6000110.4L22 Q31 V33 M83 E87L22-F85 HydrophobicContact CD1-CB 4.01Å; L22-F85 HydrophobicContact CD1-CD1 3.62Å; L22-F85 HydrophobicContact CD1-CD2 3.7Å; L22-F85 HydrophobicContact CD1-CE1 3.95Å; L22-F85 HydrophobicContact CD1-CE2 4.04Å; L22-F85 HydrophobicContact CD1-CG 3.49Å; L22-F85 VanDerWaalsContact CD1-CG 3.49Å; L22-F85 HydrophobicContact CD1-CZ 4.16Å; L22-F85 HydrophobicContact CD2-CE1 4.22Å; L22-F85 HydrophobicContact CD2-CZ 4.16Å; Q31-F85 HydrophobicContact CB-CB 4.17Å; Q31-F85 HydrophobicContact CB-CD1 3.94Å; Q31-F85 HydrophobicContact CB-CG 4.46Å; V33-F85 HydrophobicContact CG1-CB 4.33Å; V33-F85 HydrophobicContact CG1-CD2 3.71Å; V33-F85 HydrophobicContact CG1-CG 4.42Å; M83-F85 PolarHBondContact O-N 3.26Å; F85-E87 HydrophobicContact CD1-CG 4.07Å; F85-E87 HydrophobicContact CE1-CB 4.27Å; F85-E87 HydrophobicContact CE1-CG 3.98Å
86C94.8Very high92.6Very high10 Ų1036.5 Ų36.57%0.06819%0.186CC..  trans-125.9107177.9-63.90000107.7G88 G89 F138 L139C86-G88 VanDerWaalsContact C-N 3.33Å; C86-G88 PolarHBondContact O-N 3.48Å; C86-G89 PolarHBondContact O-N 2.91Å; C86-F138 HydrophobicContact CB-CB 3.68Å; C86-F138 HydrophobicContact CB-CG 4.47Å; C86-L139 CarbonylContact C-O 3.6Å; C86-L139 WeakPolarHBondContact CB-O 3.31Å
87E93.4Very high92.9Very high94 Ų9438.8 Ų38.844%0.43919%0.194SC..THydrogen-bonded Turntrans-73-25.6-164.2-51.577.6-171.700113.4F85 G89 L139 R141F85-E87 HydrophobicContact CD1-CG 4.07Å; F85-E87 HydrophobicContact CE1-CB 4.27Å; F85-E87 HydrophobicContact CE1-CG 3.98Å; E87-G89 PolarHBondContact O-N 2.89Å; E87-L139 PolarHBondContact N-O 2.77Å; E87-R141 HydrophobicContact CB-CB 4.12Å; E87-R141 HydrophobicContact CG-CB 4.27Å; E87-R141 PolarHBondContact OE2-N 3.27Å
88G92.3Very high93.2Very high29 Ų2940.3 Ų40.330%0.29920%0.199SC..THydrogen-bonded Turntrans-75.8-4.7176.700000114.2C86 L139C86-G88 VanDerWaalsContact C-N 3.33Å; C86-G88 PolarHBondContact O-N 3.48Å; G88-L139 VanDerWaalsContact CA-O 3.23Å; G88-L139 WeakPolarHBondContact CA-O 3.45Å; G88-L139 PolarHBondContact N-O 3.01Å
89G93.3Very high93.4Very high27 Ų2748.4 Ų48.428%0.27823%0.233SC..EExtended strand (participates in β ladder)trans76.4-163.1177.500000113.9C86 E87 F138 L139C86-G89 PolarHBondContact O-N 2.91Å; E87-G89 PolarHBondContact O-N 2.89Å; G89-F138 CarbonylContact O-C 3.53Å; G89-F138 VanDerWaalsContact O-CA 3.27Å; G89-F138 WeakPolarHBondContact O-CA 3.42Å; G89-L139 PolarHBondContact O-N 2.68Å
90D94.1Very high93.6Very high17 Ų1750.7 Ų50.79%0.09126%0.258CS..EExtended strand (participates in β ladder)trans-84.7145.7176.862.984.8000112.8Y92 R93 K94 F138D90-Y92 PolarHBondContact O-N 2.91Å; D90-Y92 WeakPolarHBondContact OD1-CB 3.35Å; D90-Y92 PolarHBondContact OD1-N 3.39Å; D90-R93 PolarHBondContact O-N 3.19Å; D90-R93 WeakPolarHBondContact OD1-CG 3.43Å; D90-R93 PolarHBondContact OD1-N 2.9Å; D90-R93 IonicContact OD1-NE 2.66Å; D90-R93 WeakPolarHBondContact OD2-CD 3.49Å; D90-R93 IonicContact OD2-CZ 3.89Å; D90-R93 IonicContact OD2-NE 2.73Å; D90-R93 PolarHBondContact OD2-NE 3.31Å; D90-R93 IonicContact OD2-NH2 3.96Å; D90-K94 PolarHBondContact O-N 3.02Å; D90-K94 VanDerWaalsContact O-N 3.08Å; D90-F138 HydrophobicContact CB-CD1 4.06Å; D90-F138 HydrophobicContact CB-CE1 4.07Å
91L96.1Very high93.8Very high0 Ų056.9 Ų56.90%029%0.288CS..Hα-helixtrans-60.6-33.4-178.9174.961.5000111.5R93 K94 L95 W111 I115 T134 V137 L139 M199L91-R93 PolarHBondContact O-N 3.18Å; L91-K94 HydrophobicContact CD1-CB 4.48Å; L91-K94 CarbonylContact O-C 3.52Å; L91-K94 WeakPolarHBondContact O-CA 3.44Å; L91-K94 WeakPolarHBondContact O-CB 3.49Å; L91-K94 PolarHBondContact O-N 2.81Å; L91-L95 HydrophobicContact CD1-CD1 4.33Å; L91-L95 HydrophobicContact CD1-CD2 4.24Å; L91-L95 HydrophobicContact CD1-CG 4Å; L91-L95 HydrophobicContact CG-CD1 4.18Å; L91-L95 HydrophobicContact CG-CG 4.3Å; L91-L95 VanDerWaalsContact O-CG 3.3Å; L91-L95 WeakPolarHBondContact O-CG 3.35Å; L91-L95 PolarHBondContact O-N 3.29Å; L91-W111 HydrophobicContact CD1-CD2 4.48Å; L91-W111 HydrophobicContact CD1-CE3 3.59Å; L91-W111 HydrophobicContact CD1-CH2 4.42Å; L91-W111 HydrophobicContact CD1-CZ3 3.54Å; L91-I115 HydrophobicContact CD2-CD1 4.42Å; L91-T134 WeakPolarHBondContact CB-O 3.21Å; L91-T134 HydrophobicContact CD2-CG2 4.03Å; L91-T134 HydrophobicContact CG-CG2 4.31Å; L91-T134 PolarHBondContact N-O 3.08Å; L91-V137 HydrophobicContact CB-CB 4.15Å; L91-V137 HydrophobicContact CB-CG1 4.22Å; L91-V137 WeakPolarHBondContact CB-O 3.23Å; L91-V137 HydrophobicContact CD2-CB 4.11Å; L91-V137 HydrophobicContact CD2-CG1 3.84Å; L91-V137 PolarHBondContact N-O 3.37Å; L91-L139 HydrophobicContact CB-CD1 4.08Å; L91-L139 HydrophobicContact CD1-CD1 4.36Å; L91-M199 HydrophobicContact CD1-CG 4.4Å; L91-M199 HydrophobicContact CD1-SD 4.42Å; L91-M199 HydrophobicContact CD2-CG 4.05Å; L91-M199 HydrophobicContact CD2-SD 3.85Å
92Y94.5Very high94.1Very high53 Ų5359.7 Ų59.721%0.20830%0.303CS..Hα-helixtrans-61.4-42.9176.4177.6-112000113.1D90 K96 T134 Q135D90-Y92 PolarHBondContact O-N 2.91Å; D90-Y92 WeakPolarHBondContact OD1-CB 3.35Å; D90-Y92 PolarHBondContact OD1-N 3.39Å; Y92-K96 HydrophobicContact CE1-CD 4.37Å; Y92-K96 VanDerWaalsContact CE1-NZ 3.28Å; Y92-K96 VanDerWaalsContact CZ-NZ 3.29Å; Y92-K96 PolarHBondContact O-N 3.37Å; Y92-K96 WeakPolarHBondContact OH-CE 3.34Å; Y92-K96 PolarHBondContact OH-NZ 3.22Å; Y92-T134 PolarHBondContact N-O 2.95Å; Y92-Q135 HydrophobicContact CD1-CG 3.85Å; Y92-Q135 HydrophobicContact CG-CG 3.83Å
93R93.7Very high94.2Very high145 Ų14560.2 Ų60.255%0.54731%0.306SS..Hα-helixtrans-62.2-44167-73.6-178.6-138.8-1384.2111D90 L91 L95 K96 E97D90-R93 PolarHBondContact O-N 3.19Å; D90-R93 WeakPolarHBondContact OD1-CG 3.43Å; D90-R93 PolarHBondContact OD1-N 2.9Å; D90-R93 IonicContact OD1-NE 2.66Å; D90-R93 WeakPolarHBondContact OD2-CD 3.49Å; D90-R93 IonicContact OD2-CZ 3.89Å; D90-R93 IonicContact OD2-NE 2.73Å; D90-R93 PolarHBondContact OD2-NE 3.31Å; D90-R93 IonicContact OD2-NH2 3.96Å; L91-R93 PolarHBondContact O-N 3.18Å; R93-L95 VanDerWaalsContact C-N 3.25Å; R93-L95 PolarHBondContact O-N 3.49Å; R93-K96 WeakPolarHBondContact O-CB 3.14Å; R93-K96 PolarHBondContact O-N 3.41Å; R93-E97 WeakPolarHBondContact O-CG 3.41Å; R93-E97 PolarHBondContact O-N 2.7Å
94K95Very high94.3Very high55 Ų5562.9 Ų62.924%0.23932%0.324CS..Hα-helixtrans-61.5-32.4-176.8-160.852.9169.1-178.30113.8D90 L91 E97 Q98 W111 L139D90-K94 PolarHBondContact O-N 3.02Å; D90-K94 VanDerWaalsContact O-N 3.08Å; L91-K94 HydrophobicContact CD1-CB 4.48Å; L91-K94 CarbonylContact O-C 3.52Å; L91-K94 WeakPolarHBondContact O-CA 3.44Å; L91-K94 WeakPolarHBondContact O-CB 3.49Å; L91-K94 PolarHBondContact O-N 2.81Å; K94-E97 WeakPolarHBondContact CD-OE2 3.46Å; K94-E97 IonicContact NZ-OE2 3.67Å; K94-E97 PolarHBondContact NZ-OE2 3.08Å; K94-Q98 PolarHBondContact O-NE2 3.34Å; K94-W111 HydrophobicContact CG-CH2 4.06Å; K94-L139 HydrophobicContact CB-CD1 4.22Å; K94-L139 HydrophobicContact CG-CD1 4.37Å; K94-L139 HydrophobicContact CG-CD2 4.3Å
95L95.9Very high94.4Very high8 Ų863.9 Ų63.94%0.04233%0.325CS..Hα-helixtrans-75.2-36.5173.2-64.6176.2000112.4L91 R93 E97 Q98 L103 W111 T134 E198 M199 L202L91-L95 HydrophobicContact CD1-CD1 4.33Å; L91-L95 HydrophobicContact CD1-CD2 4.24Å; L91-L95 HydrophobicContact CD1-CG 4Å; L91-L95 HydrophobicContact CG-CD1 4.18Å; L91-L95 HydrophobicContact CG-CG 4.3Å; L91-L95 VanDerWaalsContact O-CG 3.3Å; L91-L95 WeakPolarHBondContact O-CG 3.35Å; L91-L95 PolarHBondContact O-N 3.29Å; R93-L95 VanDerWaalsContact C-N 3.25Å; R93-L95 PolarHBondContact O-N 3.49Å; L95-E97 VanDerWaalsContact C-N 3.35Å; L95-Q98 WeakPolarHBondContact O-CB 3.43Å; L95-Q98 WeakPolarHBondContact O-CG 3.33Å; L95-Q98 PolarHBondContact O-N 3.05Å; L95-L103 HydrophobicContact CD2-CD1 3.6Å; L95-L103 HydrophobicContact CD2-CG 4.47Å; L95-W111 HydrophobicContact CD2-CZ3 4.4Å; L95-T134 HydrophobicContact CD1-CG2 4.28Å; L95-E198 HydrophobicContact CD1-CB 4.48Å; L95-E198 HydrophobicContact CD1-CG 4.02Å; L95-M199 HydrophobicContact CD1-CG 4.05Å; L95-M199 HydrophobicContact CD2-CB 4.38Å; L95-M199 HydrophobicContact CD2-CG 4.24Å; L95-L202 HydrophobicContact CB-CD2 4.05Å; L95-L202 HydrophobicContact CD2-CD2 3.86Å; L95-L202 HydrophobicContact CG-CD2 4.5Å
96K94.2Very high94.4Very high125 Ų12566.4 Ų66.454%0.54334%0.34SS..Hα-helixtrans-64.9-36.7171.8-75.4-177.5176.5176.20113Y92 R93 Q98 K99Y92-K96 HydrophobicContact CE1-CD 4.37Å; Y92-K96 VanDerWaalsContact CE1-NZ 3.28Å; Y92-K96 VanDerWaalsContact CZ-NZ 3.29Å; Y92-K96 PolarHBondContact O-N 3.37Å; Y92-K96 WeakPolarHBondContact OH-CE 3.34Å; Y92-K96 PolarHBondContact OH-NZ 3.22Å; R93-K96 WeakPolarHBondContact O-CB 3.14Å; R93-K96 PolarHBondContact O-N 3.41Å; K96-Q98 PolarHBondContact O-N 3.38Å; K96-Q98 VanDerWaalsContact O-N 3.15Å; K96-K99 PolarHBondContact O-N 3.43Å; K96-K99 VanDerWaalsContact O-N 3.1Å
97E94.6Very high94.4Very high105 Ų10568.2 Ų68.249%0.49135%0.348SS..THydrogen-bonded Turntrans-58.5-23.1177.2-76.9172.3-164.300113.4R93 K94 L95 K99R93-E97 WeakPolarHBondContact O-CG 3.41Å; R93-E97 PolarHBondContact O-N 2.7Å; K94-E97 WeakPolarHBondContact CD-OE2 3.46Å; K94-E97 IonicContact NZ-OE2 3.67Å; K94-E97 PolarHBondContact NZ-OE2 3.08Å; L95-E97 VanDerWaalsContact C-N 3.35Å; E97-K99 PolarHBondContact O-N 2.91Å
98Q92.9Very high94.6Very high44 Ų4463.8 Ų63.821%0.20633%0.327CS..THydrogen-bonded Turntrans-68.7-12.8177.1-50.7-52-55.600113.7K94 L95 K96 G100 Q101 L103 L202K94-Q98 PolarHBondContact O-NE2 3.34Å; L95-Q98 WeakPolarHBondContact O-CB 3.43Å; L95-Q98 WeakPolarHBondContact O-CG 3.33Å; L95-Q98 PolarHBondContact O-N 3.05Å; K96-Q98 PolarHBondContact O-N 3.38Å; K96-Q98 VanDerWaalsContact O-N 3.15Å; Q98-G100 PolarHBondContact O-N 2.93Å; Q98-Q101 WeakPolarHBondContact CB-O 3.37Å; Q98-Q101 WeakPolarHBondContact O-CB 3.1Å; Q98-Q101 PolarHBondContact O-N 2.91Å; Q98-L103 HydrophobicContact CG-CD2 4.06Å; Q98-L202 HydrophobicContact CB-CD1 3.86Å; Q98-L202 HydrophobicContact CB-CD2 4.38Å; Q98-L202 HydrophobicContact CG-CD2 4.22Å
99K91.9Very high94.8Very high199 Ų19962.5 Ų62.587%0.86531%0.313SS*.THydrogen-bonded Turntrans52.723.5177.4-62.5174.5-177.3177.80115.2K96 E97K96-K99 PolarHBondContact O-N 3.43Å; K96-K99 VanDerWaalsContact O-N 3.1Å; E97-K99 PolarHBondContact O-N 2.91Å
100G91.7Very high95Very high57 Ų5763 Ų6359%0.58831%0.308SS*.THydrogen-bonded Turntrans103.4-8.9-17800000115.2Q98 L102Q98-G100 PolarHBondContact O-N 2.93Å; G100-L102 PolarHBondContact O-N 3.32Å
101Q95.3Very high95.1Very high147 Ų14762.6 Ų62.669%0.68731%0.305SS*.PPolyproline II helixtrans-71.2118.5172.4-175.21728.800110.1Q98 L202Q98-Q101 WeakPolarHBondContact CB-O 3.37Å; Q98-Q101 WeakPolarHBondContact O-CB 3.1Å; Q98-Q101 PolarHBondContact O-N 2.91Å; Q101-L202 WeakPolarHBondContact O-CD1 3.17Å
102L96Very high95.2Very high61 Ų6162.6 Ų62.632%0.31931%0.305SS..PPolyproline II helixtrans-65.4145.6179.4-57.5-175.3000111.2G100 L202 P227 Y230G100-L102 PolarHBondContact O-N 3.32Å; L102-L202 HydrophobicContact CD2-CG 4.38Å; L102-P227 HydrophobicContact CD1-CB 3.6Å; L102-P227 HydrophobicContact CD1-CG 3.72Å; L102-Y230 HydrophobicContact CD1-CE2 4.35Å
103L96.3Very high95.4Very high12 Ų1260.1 Ų60.16%0.06330%0.296CS..PPolyproline II helixtrans-72.7142176.2-69.5178.4000110.7L95 Q98 E105 V108 W111 Y230L95-L103 HydrophobicContact CD2-CD1 3.6Å; L95-L103 HydrophobicContact CD2-CG 4.47Å; Q98-L103 HydrophobicContact CG-CD2 4.06Å; L103-E105 PolarHBondContact O-N 3.2Å; L103-V108 HydrophobicContact CB-CG2 3.61Å; L103-V108 HydrophobicContact CD1-CG2 4.19Å; L103-W111 HydrophobicContact CD1-CE3 4.08Å; L103-W111 HydrophobicContact CD1-CH2 4.35Å; L103-W111 HydrophobicContact CD1-CZ3 3.56Å; L103-Y230 PolarHBondContact O-OH 3.07Å; L103-Y230 VanDerWaalsContact O-OH 3.04Å
104P95.9Very high95.6Very high76 Ų7653.2 Ų53.249%0.49427%0.27SS..PPolyproline II helixtrans-56137.5167.8-25.535.6000111.4N106 Q107 V108P104-N106 VanDerWaalsContact CB-OD1 3.25Å; P104-N106 WeakPolarHBondContact CB-OD1 3.48Å; P104-N106 PolarHBondContact O-N 3.5Å; P104-N106 VanDerWaalsContact O-N 3.15Å; P104-Q107 WeakPolarHBondContact O-CB 3.42Å; P104-Q107 PolarHBondContact O-N 2.85Å; P104-V108 PolarHBondContact O-N 2.84Å
105E95.9Very high95.8Very high38 Ų3850.6 Ų50.618%0.17826%0.258CS..Hα-helixtrans-51.3-43.2-177.2176.5167.3122.900112.7L103 Q107 V108 V109 Y230 S231 L234 Y260 Q264L103-E105 PolarHBondContact O-N 3.2Å; E105-Q107 PolarHBondContact O-N 3.03Å; E105-V108 PolarHBondContact O-N 2.9Å; E105-V108 VanDerWaalsContact O-N 3.14Å; E105-V109 HydrophobicContact CG-CG2 4.17Å; E105-V109 WeakPolarHBondContact O-CG2 3.45Å; E105-V109 PolarHBondContact O-N 3.44Å; E105-Y230 HydrophobicContact CB-CD1 3.97Å; E105-Y230 HydrophobicContact CB-CE1 4.31Å; E105-Y230 HydrophobicContact CG-CD1 4.33Å; E105-Y230 WeakPolarHBondContact OE2-CA 3.32Å; E105-S231 PolarHBondContact OE1-OG 3.31Å; E105-S231 WeakPolarHBondContact OE2-CB 3.33Å; E105-S231 PolarHBondContact OE2-N 3.49Å; E105-S231 PolarHBondContact OE2-OG 2.83Å; E105-L234 HydrophobicContact CG-CD2 3.96Å; E105-Y260 PolarHBondContact OE1-OH 3.28Å; E105-Q264 PolarHBondContact OE1-NE2 2.99Å
106N94.4Very high95.9Very high93 Ų9350.2 Ų50.250%0.49726%0.256SS..Hα-helixtrans-59.4-33.6179.167-76000112.3P104 E110P104-N106 VanDerWaalsContact CB-OD1 3.25Å; P104-N106 WeakPolarHBondContact CB-OD1 3.48Å; P104-N106 PolarHBondContact O-N 3.5Å; P104-N106 VanDerWaalsContact O-N 3.15Å; N106-E110 WeakPolarHBondContact O-CB 3.23Å; N106-E110 PolarHBondContact O-N 2.62Å
107Q95.7Very high96Very high48 Ų4844.5 Ų44.522%0.22423%0.232CC..Hα-helixtrans-75.2-39177.2-168.966.786.300111.7P104 E105 V109 E110 W111P104-Q107 WeakPolarHBondContact O-CB 3.42Å; P104-Q107 PolarHBondContact O-N 2.85Å; E105-Q107 PolarHBondContact O-N 3.03Å; Q107-V109 VanDerWaalsContact C-N 3.33Å; Q107-E110 VanDerWaalsContact NE2-CD 3.31Å; Q107-E110 PolarHBondContact NE2-OE1 2.82Å; Q107-E110 PolarHBondContact O-N 3.25Å; Q107-W111 HydrophobicContact CG-CD2 4.29Å; Q107-W111 HydrophobicContact CG-CH2 4.35Å; Q107-W111 HydrophobicContact CG-CZ2 3.99Å; Q107-W111 VanDerWaalsContact NE2-NE1 3.11Å; Q107-W111 PolarHBondContact O-N 2.89Å
108V97.4Very high96.1Very high0 Ų039.5 Ų39.50%021%0.208CC..Hα-helixtrans-59.9-45.5173.9178.70000110.3L103 P104 E105 F112 V196 M199 A200 Y230 L234L103-V108 HydrophobicContact CB-CG2 3.61Å; L103-V108 HydrophobicContact CD1-CG2 4.19Å; P104-V108 PolarHBondContact O-N 2.84Å; E105-V108 PolarHBondContact O-N 2.9Å; E105-V108 VanDerWaalsContact O-N 3.14Å; V108-F112 WeakPolarHBondContact O-CB 3.35Å; V108-F112 PolarHBondContact O-N 3.14Å; V108-V196 HydrophobicContact CG1-CG1 4.17Å; V108-M199 HydrophobicContact CG1-CB 4.05Å; V108-A200 HydrophobicContact CG1-CB 4.37Å; V108-Y230 HydrophobicContact CG2-CE1 4.16Å; V108-L234 HydrophobicContact CG1-CD2 4.31Å
109V96.9Very high96.3Very high2 Ų237.4 Ų37.41%0.01220%0.199CC..Hα-helixtrans-71.1-40.8178.6-178.50000112E105 Q107 W111 F112 V113 L234 Y260 I261 Q264E105-V109 HydrophobicContact CG-CG2 4.17Å; E105-V109 WeakPolarHBondContact O-CG2 3.45Å; E105-V109 PolarHBondContact O-N 3.44Å; Q107-V109 VanDerWaalsContact C-N 3.33Å; V109-W111 VanDerWaalsContact C-N 3.31Å; V109-W111 PolarHBondContact O-N 3.29Å; V109-F112 PolarHBondContact O-N 2.75Å; V109-V113 HydrophobicContact CG1-CG2 3.98Å; V109-V113 WeakPolarHBondContact O-CB 3.33Å; V109-V113 VanDerWaalsContact O-CG2 3.32Å; V109-V113 WeakPolarHBondContact O-CG2 3.41Å; V109-V113 PolarHBondContact O-N 3.35Å; V109-L234 HydrophobicContact CG2-CD1 4.41Å; V109-Y260 HydrophobicContact CG2-CE1 4.06Å; V109-Y260 VanDerWaalsContact CG2-OH 3.31Å; V109-Y260 WeakPolarHBondContact CG2-OH 3.46Å; V109-I261 HydrophobicContact CG1-CD1 3.87Å; V109-Q264 HydrophobicContact CB-CB 4.43Å; V109-Q264 HydrophobicContact CB-CG 4.46Å; V109-Q264 HydrophobicContact CG1-CB 3.63Å; V109-Q264 HydrophobicContact CG1-CG 3.93Å; V109-Q264 HydrophobicContact CG2-CG 4.44Å
110E95.7Very high96.5Very high38 Ų3828.8 Ų28.818%0.17816%0.161CC..Hα-helixtrans-58.3-41.8176.7-176.6-17011400112N106 Q107 Q114 F268N106-E110 WeakPolarHBondContact O-CB 3.23Å; N106-E110 PolarHBondContact O-N 2.62Å; Q107-E110 VanDerWaalsContact NE2-CD 3.31Å; Q107-E110 PolarHBondContact NE2-OE1 2.82Å; Q107-E110 PolarHBondContact O-N 3.25Å; E110-Q114 WeakPolarHBondContact O-CG 3.35Å; E110-Q114 PolarHBondContact O-NE2 3.38Å; E110-F268 VanDerWaalsContact CD-CE2 3.48Å; E110-F268 HydrophobicContact CG-CD2 3.77Å; E110-F268 HydrophobicContact CG-CE2 3.79Å; E110-F268 VanDerWaalsContact OE2-CD2 3.26Å; E110-F268 WeakPolarHBondContact OE2-CD2 3.32Å; E110-F268 WeakPolarHBondContact OE2-CE2 3.36Å
111W97.9Very high96.7Very high8 Ų828.2 Ų28.23%0.0314%0.142CC..Hα-helixtrans-73-45174.6-68.9-11.4000112.1L91 K94 L95 L103 Q107 V109 V113 Q114 I115 L139 I145 M199L91-W111 HydrophobicContact CD1-CD2 4.48Å; L91-W111 HydrophobicContact CD1-CE3 3.59Å; L91-W111 HydrophobicContact CD1-CH2 4.42Å; L91-W111 HydrophobicContact CD1-CZ3 3.54Å; K94-W111 HydrophobicContact CG-CH2 4.06Å; L95-W111 HydrophobicContact CD2-CZ3 4.4Å; L103-W111 HydrophobicContact CD1-CE3 4.08Å; L103-W111 HydrophobicContact CD1-CH2 4.35Å; L103-W111 HydrophobicContact CD1-CZ3 3.56Å; Q107-W111 HydrophobicContact CG-CD2 4.29Å; Q107-W111 HydrophobicContact CG-CH2 4.35Å; Q107-W111 HydrophobicContact CG-CZ2 3.99Å; Q107-W111 VanDerWaalsContact NE2-NE1 3.11Å; Q107-W111 PolarHBondContact O-N 2.89Å; V109-W111 VanDerWaalsContact C-N 3.31Å; V109-W111 PolarHBondContact O-N 3.29Å; W111-V113 PolarHBondContact O-N 2.92Å; W111-Q114 PolarHBondContact O-N 2.67Å; W111-Q114 VanDerWaalsContact O-N 3.14Å; W111-I115 WeakPolarHBondContact O-CG1 3.34Å; W111-I115 PolarHBondContact O-N 2.93Å; W111-I115 VanDerWaalsContact O-N 3.09Å; W111-L139 HydrophobicContact CH2-CD2 4.25Å; W111-L139 HydrophobicContact CZ2-CD2 3.68Å; W111-I145 HydrophobicContact CB-CD1 4.07Å; W111-I145 HydrophobicContact CB-CG1 3.93Å; W111-I145 HydrophobicContact CD2-CD1 4.26Å; W111-I145 HydrophobicContact CG-CD1 3.84Å; W111-I145 HydrophobicContact CG-CG1 3.81Å; W111-M199 HydrophobicContact CB-CE 4.49Å; W111-M199 HydrophobicContact CB-SD 3.76Å; W111-M199 HydrophobicContact CE3-SD 3.9Å
112F98.3Very high96.6Very high0 Ų021.2 Ų21.20%011%0.109CC..Hα-helixtrans-53.9-48.1176.3165.2-124.6000112.9V108 V109 Q114 I115 A116 L192 V196 M199 L237 M241 I255 I261V108-F112 WeakPolarHBondContact O-CB 3.35Å; V108-F112 PolarHBondContact O-N 3.14Å; V109-F112 PolarHBondContact O-N 2.75Å; F112-Q114 VanDerWaalsContact C-N 3.27Å; F112-Q114 PolarHBondContact O-N 2.9Å; F112-I115 PolarHBondContact O-N 3.19Å; F112-A116 WeakPolarHBondContact O-CB 3.41Å; F112-A116 PolarHBondContact O-N 2.71Å; F112-L192 HydrophobicContact CD2-CD1 3.98Å; F112-L192 HydrophobicContact CD2-CG 4.31Å; F112-L192 HydrophobicContact CE2-CD1 4.05Å; F112-L192 HydrophobicContact CE2-CD2 3.81Å; F112-L192 HydrophobicContact CE2-CG 3.89Å; F112-V196 HydrophobicContact CB-CG2 4.03Å; F112-V196 HydrophobicContact CD2-CG2 3.15Å; F112-V196 HydrophobicContact CE2-CG2 3.65Å; F112-V196 HydrophobicContact CG-CG2 3.76Å; F112-M199 HydrophobicContact CB-CE 4.06Å; F112-L237 HydrophobicContact CE1-CD2 3.64Å; F112-L237 HydrophobicContact CE1-CG 4.42Å; F112-L237 HydrophobicContact CZ-CD2 3.97Å; F112-L237 HydrophobicContact CZ-CG 4.3Å; F112-M241 HydrophobicContact CE2-CE 3.81Å; F112-M241 HydrophobicContact CE2-SD 3.84Å; F112-M241 HydrophobicContact CZ-CE 3.9Å; F112-M241 HydrophobicContact CZ-SD 4.03Å; F112-I255 HydrophobicContact CE1-CG2 3.93Å; F112-I255 HydrophobicContact CE2-CG2 4.32Å; F112-I255 HydrophobicContact CZ-CG2 3.4Å; F112-I255 VanDerWaalsContact CZ-CG2 3.4Å; F112-I261 HydrophobicContact CD1-CD1 3.93Å; F112-I261 HydrophobicContact CE1-CD1 3.61Å; F112-I261 HydrophobicContact CE1-CG1 4.28Å
113V97.7Very high96.5Very high1 Ų119.6 Ų19.61%0.00610%0.1CC..Hα-helixtrans-61-38179.6169.40000111V109 W111 A116 M117 L256 I261 I265 M666V109-V113 HydrophobicContact CG1-CG2 3.98Å; V109-V113 WeakPolarHBondContact O-CB 3.33Å; V109-V113 VanDerWaalsContact O-CG2 3.32Å; V109-V113 WeakPolarHBondContact O-CG2 3.41Å; V109-V113 PolarHBondContact O-N 3.35Å; W111-V113 PolarHBondContact O-N 2.92Å; V113-A116 PolarHBondContact O-N 2.95Å; V113-M117 HydrophobicContact CG1-CE 4.11Å; V113-M117 HydrophobicContact CG1-CG 4.33Å; V113-M117 HydrophobicContact CG1-SD 4.19Å; V113-M117 VanDerWaalsContact O-CG 3.28Å; V113-M117 WeakPolarHBondContact O-CG 3.4Å; V113-M117 PolarHBondContact O-N 3.46Å; V113-L256 HydrophobicContact CG1-CD2 4.02Å; V113-I261 HydrophobicContact CG2-CD1 4.48Å; V113-I261 HydrophobicContact CG2-CG2 3.68Å; V113-I265 HydrophobicContact CG1-CD1 3.92Å; V113-I265 HydrophobicContact CG1-CG1 3.97Å; V113-I265 HydrophobicContact CG2-CD1 4.46Å; V113-I265 HydrophobicContact CG2-CG1 4.28Å; V113-M666 HydrophobicContact CG1-CE 4.16Å
114Q98Very high96.3Very high1 Ų123.6 Ų23.61%0.00512%0.118CC..Hα-helixtrans-67.3-38.9176.1-71.8173.579.400113.2N64 E110 W111 F112 M117 A118 I145 L662N64-Q114 HydrophobicContact CB-CB 4.44Å; N64-Q114 WeakPolarHBondContact CB-O 3.34Å; N64-Q114 PolarHBondContact ND2-OE1 2.82Å; N64-Q114 VanDerWaalsContact ND2-OE1 3.08Å; E110-Q114 WeakPolarHBondContact O-CG 3.35Å; E110-Q114 PolarHBondContact O-NE2 3.38Å; W111-Q114 PolarHBondContact O-N 2.67Å; W111-Q114 VanDerWaalsContact O-N 3.14Å; F112-Q114 VanDerWaalsContact C-N 3.27Å; F112-Q114 PolarHBondContact O-N 2.9Å; Q114-M117 HydrophobicContact CB-CE 4.41Å; Q114-M117 HydrophobicContact CG-CE 3.97Å; Q114-A118 PolarHBondContact O-N 2.6Å; Q114-I145 HydrophobicContact CB-CB 3.7Å; Q114-I145 HydrophobicContact CB-CG1 4.28Å; Q114-I145 HydrophobicContact CB-CG2 4.05Å; Q114-I145 HydrophobicContact CG-CB 4.48Å; Q114-L662 HydrophobicContact CG-CD1 3.85Å
115I98.4Very high96Very high0 Ų025 Ų250%012%0.116CC..Hα-helixtrans-65.7-43.1172.6-53.5170.1000109.8L91 W111 F112 A118 L119 L132 V137 I145 V147 L192 M199L91-I115 HydrophobicContact CD2-CD1 4.42Å; W111-I115 WeakPolarHBondContact O-CG1 3.34Å; W111-I115 PolarHBondContact O-N 2.93Å; W111-I115 VanDerWaalsContact O-N 3.09Å; F112-I115 PolarHBondContact O-N 3.19Å; I115-A118 WeakPolarHBondContact O-CB 3.46Å; I115-A118 PolarHBondContact O-N 3.37Å; I115-L119 HydrophobicContact CG2-CD1 4.12Å; I115-L119 WeakPolarHBondContact O-CG 3.24Å; I115-L119 PolarHBondContact O-N 3.24Å; I115-L132 HydrophobicContact CG2-CD1 4.19Å; I115-V137 HydrophobicContact CD1-CG1 4.01Å; I115-V137 HydrophobicContact CD1-CG2 4.27Å; I115-V137 HydrophobicContact CG1-CG1 4.05Å; I115-I145 HydrophobicContact CG1-CG2 3.8Å; I115-V147 HydrophobicContact CB-CG2 4.44Å; I115-V147 HydrophobicContact CG2-CG2 4.01Å; I115-L192 HydrophobicContact CB-CD1 3.98Å; I115-L192 HydrophobicContact CG2-CD1 3.56Å; I115-M199 HydrophobicContact CD1-CE 4.21Å
116A98.1Very high95.6Very high0 Ų030.4 Ų30.40%014%0.141CC..Hα-helixtrans-64.3-41.1178.500000112.5F112 V113 A118 L119 Q120 L192 V252 L256F112-A116 WeakPolarHBondContact O-CB 3.41Å; F112-A116 PolarHBondContact O-N 2.71Å; V113-A116 PolarHBondContact O-N 2.95Å; A116-A118 VanDerWaalsContact C-N 3.33Å; A116-A118 PolarHBondContact O-N 3.04Å; A116-L119 PolarHBondContact O-N 3.27Å; A116-Q120 PolarHBondContact O-N 2.86Å; A116-L192 HydrophobicContact CB-CD2 4.49Å; A116-V252 HydrophobicContact CB-CG1 4.02Å; A116-V252 WeakPolarHBondContact O-CG1 3.38Å; A116-L256 HydrophobicContact CB-CD1 4.18Å; A116-L256 HydrophobicContact CB-CD2 3.85Å; A116-L256 HydrophobicContact CB-CG 4.05Å
117M97.4Very high95.2Very high5 Ų526.7 Ų26.73%0.02512%0.121CC..Hα-helixtrans-62.4-40.1174.2-71.2-177.1-5500111.7V113 Q114 Q120 Y121 L256 L662 L665 M666 T669V113-M117 HydrophobicContact CG1-CE 4.11Å; V113-M117 HydrophobicContact CG1-CG 4.33Å; V113-M117 HydrophobicContact CG1-SD 4.19Å; V113-M117 VanDerWaalsContact O-CG 3.28Å; V113-M117 WeakPolarHBondContact O-CG 3.4Å; V113-M117 PolarHBondContact O-N 3.46Å; Q114-M117 HydrophobicContact CB-CE 4.41Å; Q114-M117 HydrophobicContact CG-CE 3.97Å; M117-Q120 PolarHBondContact O-N 3.05Å; M117-Y121 PolarHBondContact O-N 3.41Å; M117-Y121 VanDerWaalsContact O-N 3.1Å; M117-L256 HydrophobicContact CG-CD1 4.18Å; M117-L256 HydrophobicContact CG-CD2 4.33Å; M117-L662 HydrophobicContact CE-CD1 4.03Å; M117-L665 HydrophobicContact CE-CD2 3.87Å; M117-L665 HydrophobicContact CE-CG 4.24Å; M117-L665 HydrophobicContact SD-CD2 3.99Å; M117-L665 HydrophobicContact SD-CG 3.79Å; M117-M666 HydrophobicContact CE-CG 3.72Å; M117-M666 HydrophobicContact SD-CG 3.96Å; M117-T669 PolarHBondContact SD-OG1 2.9Å
118A97Very high94.8Very high0 Ų026.1 Ų26.10%012%0.12CC..Hα-helixtrans-62.5-42.2173.900000112.4N64 I65 Q114 I115 A116 Y121 L122 V147N64-A118 HydrophobicContact CB-CB 4.11Å; N64-A118 WeakPolarHBondContact O-CB 3.31Å; I65-A118 HydrophobicContact CG1-CB 3.89Å; Q114-A118 PolarHBondContact O-N 2.6Å; I115-A118 WeakPolarHBondContact O-CB 3.46Å; I115-A118 PolarHBondContact O-N 3.37Å; A116-A118 VanDerWaalsContact C-N 3.33Å; A116-A118 PolarHBondContact O-N 3.04Å; A118-Y121 PolarHBondContact O-N 3.37Å; A118-L122 WeakPolarHBondContact O-CD1 3.39Å; A118-L122 VanDerWaalsContact O-CG 3.31Å; A118-L122 WeakPolarHBondContact O-CG 3.48Å; A118-L122 PolarHBondContact O-N 3.34Å; A118-L122 VanDerWaalsContact O-N 3.16Å; A118-V147 HydrophobicContact CB-CB 4.12Å; A118-V147 HydrophobicContact CB-CG2 3.7Å
119L96.6Very high94.4Very high0 Ų026.1 Ų26.10%012%0.12CC..Hα-helixtrans-69.1-38.2176.3-70167.1000112.8I115 A116 Y121 L122 H123 H129 L132 D188 L192 V252I115-L119 HydrophobicContact CG2-CD1 4.12Å; I115-L119 WeakPolarHBondContact O-CG 3.24Å; I115-L119 PolarHBondContact O-N 3.24Å; A116-L119 PolarHBondContact O-N 3.27Å; L119-Y121 VanDerWaalsContact C-N 3.34Å; L119-Y121 PolarHBondContact O-N 2.92Å; L119-L122 HydrophobicContact CD2-CD1 4.38Å; L119-L122 PolarHBondContact O-N 3.04Å; L119-H123 WeakPolarHBondContact O-CB 3.28Å; L119-H123 PolarHBondContact O-CD2 3.42Å; L119-H123 VanDerWaalsContact O-CG 3.22Å; L119-H123 PolarHBondContact O-N 3.33Å; L119-H129 HydrophobicContact CD2-CB 4.01Å; L119-L132 HydrophobicContact CD1-CD2 3.69Å; L119-L132 HydrophobicContact CD2-CD2 4.15Å; L119-L132 HydrophobicContact CG-CD2 4.46Å; L119-D188 HydrophobicContact CD2-CB 4.44Å; L119-L192 HydrophobicContact CD1-CB 4.03Å; L119-L192 HydrophobicContact CD1-CD1 3.91Å; L119-L192 HydrophobicContact CD1-CD2 3.83Å; L119-L192 HydrophobicContact CD1-CG 4.14Å; L119-V252 HydrophobicContact CB-CG1 4.09Å; L119-V252 HydrophobicContact CB-CG2 4.13Å
120Q96.2Very high93.9Very high17 Ų1728.1 Ų28.18%0.07913%0.127CC..Hα-helixtrans-57.7-48.9173.3179.6179.8-5.200110.3A116 M117 L122 H123 E124 V252 L256A116-Q120 PolarHBondContact O-N 2.86Å; M117-Q120 PolarHBondContact O-N 3.05Å; Q120-L122 VanDerWaalsContact C-N 3.28Å; Q120-L122 PolarHBondContact O-N 3.43Å; Q120-H123 PolarHBondContact O-N 3.1Å; Q120-E124 HydrophobicContact CG-CG 4.17Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.45Å; Q120-E124 PolarHBondContact NE2-OE1 3.05Å; Q120-E124 WeakPolarHBondContact O-CB 3.27Å; Q120-E124 WeakPolarHBondContact O-CG 3.31Å; Q120-E124 PolarHBondContact O-N 3.16Å; Q120-V252 HydrophobicContact CB-CG1 4.11Å; Q120-L256 HydrophobicContact CB-CD1 4.16Å
121Y95.6Very high93.4Very high45 Ų4527.7 Ų27.718%0.17613%0.126CC..Hα-helixtrans-58.6-36.7178176.2-88.9000113.3L60 K61 H62 I65 M117 A118 L119 K125L60-Y121 HydrophobicContact CB-CE1 4.43Å; L60-Y121 HydrophobicContact CD2-CE1 4.1Å; K61-Y121 PolarHBondContact N-OH 3.27Å; K61-Y121 WeakPolarHBondContact O-CE2 3.5Å; K61-Y121 PolarHBondContact O-OH 3.46Å; H62-Y121 HydrophobicContact CB-CD1 3.82Å; H62-Y121 HydrophobicContact CB-CD2 4.04Å; H62-Y121 HydrophobicContact CB-CE1 3.95Å; H62-Y121 HydrophobicContact CB-CE2 4.14Å; H62-Y121 HydrophobicContact CB-CG 3.87Å; H62-Y121 AromaticContact CD2-CD2 3.81Å; H62-Y121 AromaticContact CD2-CG 3.9Å; H62-Y121 AromaticContact CG-CG 3.92Å; I65-Y121 HydrophobicContact CD1-CD1 3.62Å; I65-Y121 HydrophobicContact CD1-CE1 4.08Å; M117-Y121 PolarHBondContact O-N 3.41Å; M117-Y121 VanDerWaalsContact O-N 3.1Å; A118-Y121 PolarHBondContact O-N 3.37Å; L119-Y121 VanDerWaalsContact C-N 3.34Å; L119-Y121 PolarHBondContact O-N 2.92Å; Y121-K125 HydrophobicContact CD1-CD 4.44Å; Y121-K125 HydrophobicContact CE1-CD 3.88Å; Y121-K125 HydrophobicContact CE2-CD 4.5Å; Y121-K125 VanDerWaalsContact CZ-CE 3.44Å; Y121-K125 WeakPolarHBondContact O-CG 3.42Å; Y121-K125 PolarHBondContact O-N 3.29Å; Y121-K125 WeakPolarHBondContact OH-CE 3.45Å
122L93.3Very high93.1Very high0 Ų027.4 Ų27.40%013%0.125CC..Hα-helixtrans-71.6-46.8175.7-69162.9000111.4L60 I65 A118 L119 Q120 E124 K125 H126 I127 L150L60-L122 HydrophobicContact CD1-CD2 4.01Å; I65-L122 HydrophobicContact CD1-CD1 4.26Å; I65-L122 HydrophobicContact CD1-CD2 4.03Å; I65-L122 HydrophobicContact CD1-CG 3.95Å; A118-L122 WeakPolarHBondContact O-CD1 3.39Å; A118-L122 VanDerWaalsContact O-CG 3.31Å; A118-L122 WeakPolarHBondContact O-CG 3.48Å; A118-L122 PolarHBondContact O-N 3.34Å; A118-L122 VanDerWaalsContact O-N 3.16Å; L119-L122 HydrophobicContact CD2-CD1 4.38Å; L119-L122 PolarHBondContact O-N 3.04Å; Q120-L122 VanDerWaalsContact C-N 3.28Å; Q120-L122 PolarHBondContact O-N 3.43Å; L122-E124 PolarHBondContact O-N 2.87Å; L122-K125 CarbonylContact O-C 3.53Å; L122-K125 WeakPolarHBondContact O-CA 3Å; L122-K125 WeakPolarHBondContact O-CB 3.43Å; L122-K125 PolarHBondContact O-N 3.12Å; L122-H126 PolarHBondContact O-N 3.46Å; L122-I127 CarbonylContact C-O 3.58Å; L122-I127 HydrophobicContact CB-CB 4.31Å; L122-I127 HydrophobicContact CD2-CB 4.17Å; L122-I127 HydrophobicContact CD2-CD1 4.32Å; L122-I127 HydrophobicContact CD2-CG2 3.98Å; L122-I127 PolarHBondContact O-N 3.01Å; L122-L150 HydrophobicContact CD1-CD2 3.66Å; L122-L150 HydrophobicContact CD2-CD1 4.33Å; L122-L150 HydrophobicContact CD2-CD2 3.69Å; L122-L150 HydrophobicContact CG-CD2 4.34Å
123H93.2Very high92.8Very high27 Ų2729.7 Ų29.713%0.12514%0.135CC..Hα-helixtrans-66.8-37.2-177.9-68.6-168.9000112.1L119 Q120 K125 H126 I127 Y185 D188L119-H123 WeakPolarHBondContact O-CB 3.28Å; L119-H123 PolarHBondContact O-CD2 3.42Å; L119-H123 VanDerWaalsContact O-CG 3.22Å; L119-H123 PolarHBondContact O-N 3.33Å; Q120-H123 PolarHBondContact O-N 3.1Å; H123-K125 PolarHBondContact O-N 3.3Å; H123-H126 PolarHBondContact O-N 3.36Å; H123-I127 PolarHBondContact CD2-O 2.85Å; H123-Y185 HydrophobicContact CB-CD1 4.04Å; H123-Y185 HydrophobicContact CB-CE1 4.32Å; H123-Y185 AromaticContact CD2-CD1 3.62Å; H123-Y185 PolarHBondContact CE1-O 3.06Å; H123-Y185 AromaticContact CG-CD1 3.61Å; H123-Y185 AromaticContact ND1-CD1 3.88Å; H123-Y185 AromaticContact NE2-CD1 3.86Å; H123-D188 IonicContact CD2-OD2 2.67Å; H123-D188 IonicContact CE1-OD2 3.55Å; H123-D188 IonicContact NE2-OD2 3.97Å; H123-D188 PolarHBondContact NE2-OD2 3.26Å
124E92.4Very high92.7Very high96 Ų9629.6 Ų29.645%0.44914%0.135SC..THydrogen-bonded Turntrans-68.8-14.1171.9-71.6178.4168.300113.2Q120 L122 R253Q120-E124 HydrophobicContact CG-CG 4.17Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.45Å; Q120-E124 PolarHBondContact NE2-OE1 3.05Å; Q120-E124 WeakPolarHBondContact O-CB 3.27Å; Q120-E124 WeakPolarHBondContact O-CG 3.31Å; Q120-E124 PolarHBondContact O-N 3.16Å; L122-E124 PolarHBondContact O-N 2.87Å; E124-R253 IonicContact OE1-CZ 2.67Å; E124-R253 IonicContact OE1-NH1 2.62Å; E124-R253 PolarHBondContact OE1-NH1 2.88Å
125K89.4Confident92.4Very high106 Ų10631.8 Ų31.846%0.46115%0.145SC..THydrogen-bonded Turntrans-100.17.7168.9-72.5-175.4169.2-62.90113.6L60 Y121 L122 H123 I127L60-K125 HydrophobicContact CD2-CD 4.23Å; Y121-K125 HydrophobicContact CD1-CD 4.44Å; Y121-K125 HydrophobicContact CE1-CD 3.88Å; Y121-K125 HydrophobicContact CE2-CD 4.5Å; Y121-K125 VanDerWaalsContact CZ-CE 3.44Å; Y121-K125 WeakPolarHBondContact O-CG 3.42Å; Y121-K125 PolarHBondContact O-N 3.29Å; Y121-K125 WeakPolarHBondContact OH-CE 3.45Å; L122-K125 CarbonylContact O-C 3.53Å; L122-K125 WeakPolarHBondContact O-CA 3Å; L122-K125 WeakPolarHBondContact O-CB 3.43Å; L122-K125 PolarHBondContact O-N 3.12Å; H123-K125 PolarHBondContact O-N 3.3Å; K125-I127 VanDerWaalsContact C-N 3.26Å; K125-I127 HydrophobicContact CB-CD1 3.91Å; K125-I127 HydrophobicContact CB-CG1 4.08Å; K125-I127 PolarHBondContact O-N 3.22Å
126H87.9Confident92.1Very high151 Ų15132.4 Ų32.470%0.69915%0.148SC*.THydrogen-bonded Turntrans59.430.7-175.1-51.7-45.6000114.6L122 H123 Y185L122-H126 PolarHBondContact O-N 3.46Å; H123-H126 PolarHBondContact O-N 3.36Å; H126-Y185 VanDerWaalsContact CA-OH 3.32Å; H126-Y185 WeakPolarHBondContact CA-OH 3.14Å; H126-Y185 WeakPolarHBondContact CB-OH 3.37Å
127I87Confident92.1Very high16 Ų1632.4 Ų32.48%0.08215%0.148CC..  trans-103.6130.6178-54.7171.2000109.1L56 L60 L122 H123 K125L56-I127 HydrophobicContact CD1-CD1 3.85Å; L56-I127 HydrophobicContact CD2-CD1 4.17Å; L56-I127 HydrophobicContact CD2-CG1 4.33Å; L56-I127 HydrophobicContact CD2-CG2 4.49Å; L56-I127 HydrophobicContact CG-CD1 4.18Å; L60-I127 HydrophobicContact CD2-CD1 3.57Å; L122-I127 CarbonylContact C-O 3.58Å; L122-I127 HydrophobicContact CB-CB 4.31Å; L122-I127 HydrophobicContact CD2-CB 4.17Å; L122-I127 HydrophobicContact CD2-CD1 4.32Å; L122-I127 HydrophobicContact CD2-CG2 3.98Å; L122-I127 PolarHBondContact O-N 3.01Å; H123-I127 PolarHBondContact CD2-O 2.85Å; K125-I127 VanDerWaalsContact C-N 3.26Å; K125-I127 HydrophobicContact CB-CD1 3.91Å; K125-I127 HydrophobicContact CB-CG1 4.08Å; K125-I127 PolarHBondContact O-N 3.22Å
128L86.5Confident92Very high35 Ų3534 Ų3418%0.18316%0.155CC..  trans-93.3141.6171-65.5167.4000109.7R130 Y183 Y185 D188L128-R130 HydrophobicContact CB-CG 4.08Å; L128-Y183 HydrophobicContact CD1-CD1 4.34Å; L128-Y185 HydrophobicContact CD2-CD1 3.4Å; L128-Y185 HydrophobicContact CD2-CE1 3.76Å; L128-Y185 HydrophobicContact CD2-CG 3.88Å; L128-Y185 VanDerWaalsContact CD2-N 3.32Å; L128-Y185 HydrophobicContact CG-CD1 4.39Å; L128-Y185 HydrophobicContact CG-CE1 4.29Å; L128-D188 WeakPolarHBondContact CA-OD2 3.49Å
129H88.9Confident91.9Very high0 Ų034 Ų340%016%0.155CC..  trans-77.3-38.8177.9-165.5-66.2000112.1L119 D131 L132 V147 G148 D149 L150 G151 D188L119-H129 HydrophobicContact CD2-CB 4.01Å; H129-D131 PolarHBondContact O-N 3.16Å; H129-L132 HydrophobicContact CB-CB 4.32Å; H129-L132 PolarHBondContact ND1-N 3.37Å; H129-V147 WeakPolarHBondContact NE2-CG1 3.48Å; H129-G148 PolarHBondContact CE1-O 2.92Å; H129-G148 PolarHBondContact NE2-O 3.19Å; H129-D149 PolarHBondContact CE1-O 3.38Å; H129-L150 HydrophobicContact CB-CD2 4.46Å; H129-L150 VanDerWaalsContact CD2-CD2 3.45Å; H129-L150 WeakPolarHBondContact CD2-CD2 3.3Å; H129-G151 PolarHBondContact O-N 3.27Å; H129-D188 WeakPolarHBondContact CA-OD1 3.4Å; H129-D188 VanDerWaalsContact CB-OD1 3.32Å; H129-D188 WeakPolarHBondContact CB-OD1 3.32Å; H129-D188 PolarHBondContact N-OD1 3.3Å; H129-D188 VanDerWaalsContact N-OD1 3.13Å; H129-D188 PolarHBondContact N-OD2 3.02Å
130R85.8Confident91.8Very high44 Ų4434.3 Ų34.317%0.16616%0.156CC..SBendtrans64.4-46179.7-62.4-172.1174.1-142.77.4116.2L128 R154 D161 Y183 D188L128-R130 HydrophobicContact CB-CG 4.08Å; R130-R154 PolarHBondContact NH1-O 3.24Å; R130-D161 IonicContact NH1-OD2 3.47Å; R130-D161 PolarHBondContact NH1-OD2 2.94Å; R130-Y183 HydrophobicContact CG-CD1 4.04Å; R130-Y183 HydrophobicContact CG-CE1 4.18Å; R130-Y183 HydrophobicContact CG-CG 4.37Å; R130-Y183 PolarHBondContact O-OH 3.34Å; R130-D188 PolarHBondContact N-OD1 3.18Å
131D84.9Confident91.4Very high29 Ų2940.4 Ų40.416%0.15518%0.179CC..SBendtrans-109.438.6-178.1-163.340.8000112.9H129 K133 N136 R154H129-D131 PolarHBondContact O-N 3.16Å; D131-K133 PolarHBondContact O-N 3.36Å; D131-K133 WeakPolarHBondContact OD1-CE 3.45Å; D131-K133 IonicContact OD1-NZ 3.49Å; D131-K133 PolarHBondContact OD1-NZ 3.39Å; D131-K133 VanDerWaalsContact OD2-CE 3.28Å; D131-K133 WeakPolarHBondContact OD2-CE 3.27Å; D131-K133 IonicContact OD2-NZ 3.95Å; D131-K133 PolarHBondContact OD2-NZ 3.41Å; D131-N136 PolarHBondContact O-ND2 3.32Å; D131-N136 PolarHBondContact OD2-ND2 3.26Å; D131-R154 IonicContact OD1-NH1 2.68Å
132L92.1Very high91Very high3 Ų339.7 Ų39.72%0.01618%0.179CC..  trans-73.5119.9179.9-179.268.8000110.9I115 L119 H129 V137 V147 A191 L192I115-L132 HydrophobicContact CG2-CD1 4.19Å; L119-L132 HydrophobicContact CD1-CD2 3.69Å; L119-L132 HydrophobicContact CD2-CD2 4.15Å; L119-L132 HydrophobicContact CG-CD2 4.46Å; H129-L132 HydrophobicContact CB-CB 4.32Å; H129-L132 PolarHBondContact ND1-N 3.37Å; L132-V137 HydrophobicContact CD1-CG2 4.22Å; L132-V147 HydrophobicContact CD1-CG1 4.24Å; L132-A191 HydrophobicContact CB-CB 3.95Å; L132-A191 HydrophobicContact CD2-CB 4.14Å; L132-A191 HydrophobicContact CG-CB 4.33Å; L132-L192 HydrophobicContact CD2-CB 3.95Å
133K92.5Very high90.9Very high47 Ų4743.4 Ų43.420%0.20420%0.199CC..SBendtrans-162.2160.2-179.260.1-165174-155.30110.8D131 Q135 N136 V137 Y172D131-K133 PolarHBondContact O-N 3.36Å; D131-K133 WeakPolarHBondContact OD1-CE 3.45Å; D131-K133 IonicContact OD1-NZ 3.49Å; D131-K133 PolarHBondContact OD1-NZ 3.39Å; D131-K133 VanDerWaalsContact OD2-CE 3.28Å; D131-K133 WeakPolarHBondContact OD2-CE 3.27Å; D131-K133 IonicContact OD2-NZ 3.95Å; D131-K133 PolarHBondContact OD2-NZ 3.41Å; K133-Q135 VanDerWaalsContact CB-OE1 3.31Å; K133-Q135 HydrophobicContact CG-CB 4.32Å; K133-Q135 PolarHBondContact O-N 3.38Å; K133-N136 WeakPolarHBondContact CE-ND2 3.4Å; K133-N136 WeakPolarHBondContact CE-OD1 3.41Å; K133-N136 HydrophobicContact CG-CB 4.13Å; K133-N136 PolarHBondContact O-N 2.98Å; K133-V137 PolarHBondContact O-N 2.99Å; K133-Y172 HydrophobicContact CB-CD1 4.06Å; K133-Y172 HydrophobicContact CB-CD2 3.54Å; K133-Y172 HydrophobicContact CB-CE1 4.08Å; K133-Y172 HydrophobicContact CB-CE2 3.54Å; K133-Y172 HydrophobicContact CB-CG 3.83Å
134T94.8Very high90.9Very high0 Ų042.3 Ų42.30%019%0.194CC..THydrogen-bonded Turntrans-64.7-13.2-177.754.70000114.2L91 Y92 L95 Y172 C195 E198L91-T134 WeakPolarHBondContact CB-O 3.21Å; L91-T134 HydrophobicContact CD2-CG2 4.03Å; L91-T134 HydrophobicContact CG-CG2 4.31Å; L91-T134 PolarHBondContact N-O 3.08Å; Y92-T134 PolarHBondContact N-O 2.95Å; L95-T134 HydrophobicContact CD1-CG2 4.28Å; T134-Y172 PolarHBondContact OG1-OH 2.77Å; T134-Y172 VanDerWaalsContact OG1-OH 3.1Å; T134-C195 HydrophobicContact CG2-CB 4.04Å; T134-E198 WeakPolarHBondContact CB-OE2 3.14Å; T134-E198 HydrophobicContact CG2-CB 4.37Å; T134-E198 WeakPolarHBondContact CG2-OE2 3.46Å; T134-E198 PolarHBondContact OG1-OE2 2.89Å
135Q92.2Very high91.2Very high47 Ų4737.7 Ų37.722%0.2217%0.173CC..THydrogen-bonded Turntrans-80.5-20.3171.7-54.976.632.100113.2Y92 K133 Y172Y92-Q135 HydrophobicContact CD1-CG 3.85Å; Y92-Q135 HydrophobicContact CG-CG 3.83Å; K133-Q135 VanDerWaalsContact CB-OE1 3.31Å; K133-Q135 HydrophobicContact CG-CB 4.32Å; K133-Q135 PolarHBondContact O-N 3.38Å; Q135-Y172 PolarHBondContact NE2-OH 2.9Å
136N93Very high91.5Very high12 Ų1233.4 Ų33.46%0.06415%0.154CC..SBendtrans-1043.9179.4-66.820.6000112.2D131 K133 F138 G148 D149D131-N136 PolarHBondContact O-ND2 3.32Å; D131-N136 PolarHBondContact OD2-ND2 3.26Å; K133-N136 WeakPolarHBondContact CE-ND2 3.4Å; K133-N136 WeakPolarHBondContact CE-OD1 3.41Å; K133-N136 HydrophobicContact CG-CB 4.13Å; K133-N136 PolarHBondContact O-N 2.98Å; N136-F138 WeakPolarHBondContact O-CD2 3.42Å; N136-F138 VanDerWaalsContact O-CE2 3.28Å; N136-F138 WeakPolarHBondContact O-CE2 3.4Å; N136-G148 PolarHBondContact O-N 3.04Å; N136-D149 HydrophobicContact CB-CB 4.21Å; N136-D149 VanDerWaalsContact ND2-CB 3.32Å; N136-D149 WeakPolarHBondContact ND2-CB 3.44Å; N136-D149 PolarHBondContact ND2-O 3.46Å
137V96.6Very high91.9Very high0 Ų026.2 Ų26.20%012%0.121CC..EExtended strand (participates in β ladder)trans-105.2121.9172.6179.70000107.7L91 I115 L132 K133 I145 V147L91-V137 HydrophobicContact CB-CB 4.15Å; L91-V137 HydrophobicContact CB-CG1 4.22Å; L91-V137 WeakPolarHBondContact CB-O 3.23Å; L91-V137 HydrophobicContact CD2-CB 4.11Å; L91-V137 HydrophobicContact CD2-CG1 3.84Å; L91-V137 PolarHBondContact N-O 3.37Å; I115-V137 HydrophobicContact CD1-CG1 4.01Å; I115-V137 HydrophobicContact CD1-CG2 4.27Å; I115-V137 HydrophobicContact CG1-CG1 4.05Å; L132-V137 HydrophobicContact CD1-CG2 4.22Å; K133-V137 PolarHBondContact O-N 2.99Å; V137-I145 HydrophobicContact CG1-CD1 3.94Å; V137-I145 HydrophobicContact CG1-CG2 3.7Å; V137-V147 HydrophobicContact CG2-CG2 4.5Å
138F96.1Very high92Very high40 Ų4025.6 Ų25.618%0.17512%0.118CC..EExtended strand (participates in β ladder)trans-115.2159.8-172.3-55.2-83.3000112.1V66 C86 G89 D90 N136 I145 K146V66-F138 HydrophobicContact CG2-CD2 3.77Å; V66-F138 HydrophobicContact CG2-CE2 4.37Å; C86-F138 HydrophobicContact CB-CB 3.68Å; C86-F138 HydrophobicContact CB-CG 4.47Å; G89-F138 CarbonylContact O-C 3.53Å; G89-F138 VanDerWaalsContact O-CA 3.27Å; G89-F138 WeakPolarHBondContact O-CA 3.42Å; D90-F138 HydrophobicContact CB-CD1 4.06Å; D90-F138 HydrophobicContact CB-CE1 4.07Å; N136-F138 WeakPolarHBondContact O-CD2 3.42Å; N136-F138 VanDerWaalsContact O-CE2 3.28Å; N136-F138 WeakPolarHBondContact O-CE2 3.4Å; F138-I145 CarbonylContact O-C 3.55Å; F138-I145 WeakPolarHBondContact O-CA 3.32Å; F138-K146 PolarHBondContact N-O 3.45Å; F138-K146 PolarHBondContact O-N 3.38Å
139L95.4Very high91.6Very high0 Ų026 Ų260%012%0.12CC..EExtended strand (participates in β ladder)trans-117.2137.6174.6-65.389.7000110.8C86 E87 G88 G89 L91 K94 W111 N143 I144 I145C86-L139 CarbonylContact C-O 3.6Å; C86-L139 WeakPolarHBondContact CB-O 3.31Å; E87-L139 PolarHBondContact N-O 2.77Å; G88-L139 VanDerWaalsContact CA-O 3.23Å; G88-L139 WeakPolarHBondContact CA-O 3.45Å; G88-L139 PolarHBondContact N-O 3.01Å; G89-L139 PolarHBondContact O-N 2.68Å; L91-L139 HydrophobicContact CB-CD1 4.08Å; L91-L139 HydrophobicContact CD1-CD1 4.36Å; K94-L139 HydrophobicContact CB-CD1 4.22Å; K94-L139 HydrophobicContact CG-CD1 4.37Å; K94-L139 HydrophobicContact CG-CD2 4.3Å; W111-L139 HydrophobicContact CH2-CD2 4.25Å; W111-L139 HydrophobicContact CZ2-CD2 3.68Å; L139-N143 HydrophobicContact CD2-CB 4.43Å; L139-I144 WeakPolarHBondContact CA-O 3.43Å; L139-I145 HydrophobicContact CD1-CD1 4.35Å; L139-I145 HydrophobicContact CD2-CD1 4.48Å; L139-I145 HydrophobicContact CG-CD1 4Å
140T93.4Very high90.6Very high5 Ų526.4 Ų26.43%0.03112%0.123CC..  trans-73.3170.7165.960.50000111.6T142 N143 I144 K146T140-T142 PolarHBondContact O-N 2.85Å; T140-T142 VanDerWaalsContact O-N 3.07Å; T140-T142 PolarHBondContact OG1-N 2.81Å; T140-T142 PolarHBondContact OG1-OG1 3.29Å; T140-N143 PolarHBondContact O-N 2.8Å; T140-N143 PolarHBondContact OG1-N 2.85Å; T140-I144 HydrophobicContact CG2-CB 4.34Å; T140-I144 PolarHBondContact N-O 3.43Å; T140-I144 WeakPolarHBondContact OG1-CB 3.32Å; T140-I144 PolarHBondContact OG1-N 3.47Å; T140-I144 PolarHBondContact OG1-O 2.87Å; T140-K146 HydrophobicContact CG2-CD 3.93Å; T140-K146 HydrophobicContact CG2-CG 4.41Å
141R89.3Confident89.4Confident145 Ų14524.7 Ų24.755%0.54712%0.118SC..THydrogen-bonded Turntrans-50.8-26.2165.4-171177.1-180-173.8-0.4113.4E87 E651E87-R141 HydrophobicContact CB-CB 4.12Å; E87-R141 HydrophobicContact CG-CB 4.27Å; E87-R141 PolarHBondContact OE2-N 3.27Å; R141-E651 IonicContact CZ-OE2 3.6Å; R141-E651 IonicContact NH1-OE2 2.68Å; R141-E651 PolarHBondContact NH1-OE2 3.31Å
142T87.3Confident88Confident31 Ų3124.1 Ų24.119%0.1912%0.115CC..THydrogen-bonded Turntrans-91.57.317946.20000114.2T140 I144 Q655 E658T140-T142 PolarHBondContact O-N 2.85Å; T140-T142 VanDerWaalsContact O-N 3.07Å; T140-T142 PolarHBondContact OG1-N 2.81Å; T140-T142 PolarHBondContact OG1-OG1 3.29Å; T142-I144 PolarHBondContact O-N 3.08Å; T142-Q655 HydrophobicContact CG2-CB 3.84Å; T142-Q655 HydrophobicContact CG2-CG 3.86Å; T142-E658 PolarHBondContact OG1-OE2 3.28Å
143N89.5Confident85.8Confident77 Ų7725.4 Ų25.441%0.41213%0.126SC..  trans60.318.6-172.5-59.3-56.4000115.1L139 T140L139-N143 HydrophobicContact CD2-CB 4.43Å; T140-N143 PolarHBondContact O-N 2.8Å; T140-N143 PolarHBondContact OG1-N 2.85Å
144I94.4Very high83.9Confident4 Ų424.3 Ų24.32%0.02112%0.121CC..  trans-77131173.6-62.5174000108.1L139 T140 T142 E658 I659 L662L139-I144 WeakPolarHBondContact CA-O 3.43Å; T140-I144 HydrophobicContact CG2-CB 4.34Å; T140-I144 PolarHBondContact N-O 3.43Å; T140-I144 WeakPolarHBondContact OG1-CB 3.32Å; T140-I144 PolarHBondContact OG1-N 3.47Å; T140-I144 PolarHBondContact OG1-O 2.87Å; T142-I144 PolarHBondContact O-N 3.08Å; I144-E658 HydrophobicContact CD1-CB 3.49Å; I144-E658 VanDerWaalsContact CD1-CB 3.49Å; I144-I659 HydrophobicContact CD1-CG1 4.15Å; I144-L662 HydrophobicContact CG1-CD2 4.2Å
145I97.4Very high81.2Confident0 Ų027.6 Ų27.60%014%0.141CC..EExtended strand (participates in β ladder)trans-76.5134.8-178.2-70.6-75.3000110N64 W111 Q114 I115 V137 F138 L139N64-I145 VanDerWaalsContact CA-O 3.24Å; N64-I145 WeakPolarHBondContact CA-O 3.46Å; N64-I145 WeakPolarHBondContact CB-O 3.48Å; N64-I145 PolarHBondContact ND2-O 3.34Å; W111-I145 HydrophobicContact CB-CD1 4.07Å; W111-I145 HydrophobicContact CB-CG1 3.93Å; W111-I145 HydrophobicContact CD2-CD1 4.26Å; W111-I145 HydrophobicContact CG-CD1 3.84Å; W111-I145 HydrophobicContact CG-CG1 3.81Å; Q114-I145 HydrophobicContact CB-CB 3.7Å; Q114-I145 HydrophobicContact CB-CG1 4.28Å; Q114-I145 HydrophobicContact CB-CG2 4.05Å; Q114-I145 HydrophobicContact CG-CB 4.48Å; I115-I145 HydrophobicContact CG1-CG2 3.8Å; V137-I145 HydrophobicContact CG1-CD1 3.94Å; V137-I145 HydrophobicContact CG1-CG2 3.7Å; F138-I145 CarbonylContact O-C 3.55Å; F138-I145 WeakPolarHBondContact O-CA 3.32Å; L139-I145 HydrophobicContact CD1-CD1 4.35Å; L139-I145 HydrophobicContact CD2-CD1 4.48Å; L139-I145 HydrophobicContact CG-CD1 4Å
146K96.6Very high78.6Confident15 Ų1528 Ų287%0.06514%0.144CC..EExtended strand (participates in β ladder)trans-129.9118.2169.8-67.1-178-173.1-73.90110.2L63 N64 V66 F138 T140 E658L63-K146 PolarHBondContact O-NZ 3.36Å; N64-K146 WeakPolarHBondContact O-CA 3.23Å; V66-K146 HydrophobicContact CG2-CB 3.82Å; F138-K146 PolarHBondContact N-O 3.45Å; F138-K146 PolarHBondContact O-N 3.38Å; T140-K146 HydrophobicContact CG2-CD 3.93Å; T140-K146 HydrophobicContact CG2-CG 4.41Å; K146-E658 IonicContact NZ-OE1 3.7Å
147V95.6Very high76.2Confident1 Ų130.9 Ų30.91%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-78128.4173.4-178.20000108.9N64 I65 V66 I115 A118 H129 L132 V137N64-V147 PolarHBondContact O-N 2.89Å; I65-V147 CarbonylContact C-O 3.54Å; I65-V147 WeakPolarHBondContact CA-O 3.35Å; V66-V147 PolarHBondContact N-O 3.05Å; I115-V147 HydrophobicContact CB-CG2 4.44Å; I115-V147 HydrophobicContact CG2-CG2 4.01Å; A118-V147 HydrophobicContact CB-CB 4.12Å; A118-V147 HydrophobicContact CB-CG2 3.7Å; H129-V147 WeakPolarHBondContact NE2-CG1 3.48Å; L132-V147 HydrophobicContact CD1-CG1 4.24Å; V137-V147 HydrophobicContact CG2-CG2 4.5Å
148G90.1Very high73.6Confident3 Ų336.4 Ų36.43%0.03119%0.186CC..  trans-134.2-174.418000000112.1H129 N136 L150H129-G148 PolarHBondContact CE1-O 2.92Å; H129-G148 PolarHBondContact NE2-O 3.19Å; N136-G148 PolarHBondContact O-N 3.04Å; G148-L150 VanDerWaalsContact C-N 3.33Å; G148-L150 PolarHBondContact O-N 2.67Å
149D77.9Confident70.9Confident42 Ų4239.6 Ų39.623%0.22520%0.202CC..  trans4655.4-178.4-75.5-57.6000113.2K35 H129 N136 G151K35-D149 IonicContact NZ-OD1 3.6Å; K35-D149 PolarHBondContact NZ-OD1 3.33Å; H129-D149 PolarHBondContact CE1-O 3.38Å; N136-D149 HydrophobicContact CB-CB 4.21Å; N136-D149 VanDerWaalsContact ND2-CB 3.32Å; N136-D149 WeakPolarHBondContact ND2-CB 3.44Å; N136-D149 PolarHBondContact ND2-O 3.46Å; D149-G151 PolarHBondContact O-N 2.86Å
150L68.7Low68.3Low10 Ų1042.3 Ų42.35%0.05222%0.22CC..  trans-55.5127.3166.1-74.2154.4000109.5L57 L60 L122 H129 G148 I152L57-L150 HydrophobicContact CD2-CB 4.31Å; L57-L150 HydrophobicContact CD2-CD1 3.62Å; L60-L150 HydrophobicContact CD1-CD1 3.37Å; L122-L150 HydrophobicContact CD1-CD2 3.66Å; L122-L150 HydrophobicContact CD2-CD1 4.33Å; L122-L150 HydrophobicContact CD2-CD2 3.69Å; L122-L150 HydrophobicContact CG-CD2 4.34Å; H129-L150 HydrophobicContact CB-CD2 4.46Å; H129-L150 VanDerWaalsContact CD2-CD2 3.45Å; H129-L150 WeakPolarHBondContact CD2-CD2 3.3Å; G148-L150 VanDerWaalsContact C-N 3.33Å; G148-L150 PolarHBondContact O-N 2.67Å; L150-I152 HydrophobicContact CB-CD1 3.69Å; L150-I152 HydrophobicContact CB-CG1 4Å; L150-I152 HydrophobicContact CD1-CD1 4.25Å; L150-I152 HydrophobicContact CG-CD1 4.49Å; L150-I152 PolarHBondContact O-N 2.88Å
151G60.3Low65.9Low7 Ų743.5 Ų43.57%0.07223%0.226CC..  trans-79.846.4-177.100000113.7H129 D149 R154H129-G151 PolarHBondContact O-N 3.27Å; D149-G151 PolarHBondContact O-N 2.86Å; G151-R154 WeakPolarHBondContact O-CB 3.39Å; G151-R154 PolarHBondContact O-N 2.97Å
152I53.9Low63.7Low18 Ų1840.4 Ų40.49%0.09222%0.219CC..  trans-71.6-39.4-173-64.3153.4000110.9E53 L56 L57 L150 R154 V155E53-I152 HydrophobicContact CB-CB 4.23Å; E53-I152 HydrophobicContact CB-CG2 3.87Å; E53-I152 HydrophobicContact CG-CB 3.91Å; E53-I152 HydrophobicContact CG-CG2 4.11Å; E53-I152 WeakPolarHBondContact OE1-CB 3.06Å; E53-I152 PolarHBondContact OE1-N 2.84Å; L56-I152 HydrophobicContact CB-CD1 4.49Å; L56-I152 HydrophobicContact CD2-CD1 3.88Å; L56-I152 HydrophobicContact CD2-CG1 4.1Å; L56-I152 HydrophobicContact CD2-CG2 3.98Å; L56-I152 HydrophobicContact CG-CD1 4.24Å; L57-I152 HydrophobicContact CD2-CD1 3.95Å; L57-I152 HydrophobicContact CG-CD1 4.19Å; L150-I152 HydrophobicContact CB-CD1 3.69Å; L150-I152 HydrophobicContact CB-CG1 4Å; L150-I152 HydrophobicContact CD1-CD1 4.25Å; L150-I152 HydrophobicContact CG-CD1 4.49Å; L150-I152 PolarHBondContact O-N 2.88Å; I152-R154 PolarHBondContact O-N 2.82Å; I152-R154 VanDerWaalsContact O-N 3.09Å; I152-V155 VanDerWaalsContact O-CB 3.3Å; I152-V155 WeakPolarHBondContact O-CB 3.36Å; I152-V155 VanDerWaalsContact O-CG2 3.23Å; I152-V155 WeakPolarHBondContact O-CG2 3.49Å; I152-V155 PolarHBondContact O-N 3.18Å
153A46.8Very low61.2Low29 Ų2941.2 Ų41.224%0.2423%0.229CC..G310 helixtrans-50-35.9172.900000113.1E53 V155 L156E53-A153 PolarHBondContact OE1-N 3.09Å; A153-V155 PolarHBondContact O-N 3.35Å; A153-V155 VanDerWaalsContact O-N 3.11Å; A153-L156 PolarHBondContact O-N 3.14Å
154R51.5Low58.8Low25 Ų2539.5 Ų39.59%0.09422%0.223CC..G310 helixtrans-65.6-14.2-177.2-50.9178.466137.312.8113.3R130 D131 G151 I152 L156 E157 D161 S164R130-R154 PolarHBondContact NH1-O 3.24Å; D131-R154 IonicContact OD1-NH1 2.68Å; G151-R154 WeakPolarHBondContact O-CB 3.39Å; G151-R154 PolarHBondContact O-N 2.97Å; I152-R154 PolarHBondContact O-N 2.82Å; I152-R154 VanDerWaalsContact O-N 3.09Å; R154-L156 PolarHBondContact O-N 3.33Å; R154-E157 PolarHBondContact O-N 3.37Å; R154-D161 IonicContact CZ-OD1 3.84Å; R154-D161 IonicContact NE-OD1 3.79Å; R154-D161 PolarHBondContact NE-OD1 3.21Å; R154-D161 PolarHBondContact NH2-O 3.39Å; R154-D161 IonicContact NH2-OD1 3.67Å; R154-D161 PolarHBondContact NH2-OD1 3.06Å; R154-S164 PolarHBondContact NH2-OG 2.93Å
155V39.9Very low56.4Low69 Ų6940.9 Ų40.942%0.41823%0.231SC..G310 helixtrans-63-23.8176.9176.10000112.6I152 A153 N158I152-V155 VanDerWaalsContact O-CB 3.3Å; I152-V155 WeakPolarHBondContact O-CB 3.36Å; I152-V155 VanDerWaalsContact O-CG2 3.23Å; I152-V155 WeakPolarHBondContact O-CG2 3.49Å; I152-V155 PolarHBondContact O-N 3.18Å; A153-V155 PolarHBondContact O-N 3.35Å; A153-V155 VanDerWaalsContact O-N 3.11Å; V155-N158 PolarHBondContact O-OD1 2.86Å
156L36Very low53.4Low55 Ų5547.4 Ų47.429%0.28827%0.266SS..G310 helixtrans-96.1-4179.5-60.190.6000113.9R45 A49 A153 R154R45-L156 HydrophobicContact CG-CD2 4.43Å; R45-L156 PolarHBondContact NH2-O 2.67Å; R45-L156 VanDerWaalsContact NH2-O 3.1Å; A49-L156 HydrophobicContact CB-CB 4.45Å; A49-L156 HydrophobicContact CB-CD1 3.56Å; A49-L156 HydrophobicContact CB-CD2 3.65Å; A49-L156 HydrophobicContact CB-CG 4.04Å; A153-L156 PolarHBondContact O-N 3.14Å; R154-L156 PolarHBondContact O-N 3.33Å
157E43.3Very low50.8Low73 Ų7353.9 Ų53.934%0.34130%0.299SS..  trans-105.445.4-179.7-87.3-173.8-133.200111.6R154 H159 C160 D161R154-E157 PolarHBondContact O-N 3.37Å; E157-H159 PolarHBondContact O-N 3.38Å; E157-C160 HydrophobicContact CB-CB 3.88Å; E157-C160 HydrophobicContact CG-CB 3.85Å; E157-C160 PolarHBondContact O-N 2.85Å; E157-C160 VanDerWaalsContact OE2-CB 3.23Å; E157-C160 WeakPolarHBondContact OE2-CB 3.47Å; E157-D161 PolarHBondContact O-N 3.03Å
158N41.6Very low48.8Very low115 Ų11556 Ų5662%0.61532%0.321SS*.THydrogen-bonded Turntrans-53.9-18.8-175.2-80.7-17.5000115.5V155V155-N158 PolarHBondContact O-OD1 2.86Å
159H40Very low47.1Very low108 Ų10858.2 Ų58.250%0.533%0.334SS..THydrogen-bonded Turntrans-109-21.2171.5-63.7-75.5000114.1E157 E761E157-H159 PolarHBondContact O-N 3.38Å; H159-E761 IonicContact CD2-OE1 3.69Å; H159-E761 IonicContact CD2-OE2 2.73Å; H159-E761 IonicContact CE1-OE1 2.7Å; H159-E761 VanDerWaalsContact NE2-CD 3.29Å; H159-E761 IonicContact NE2-OE1 3.93Å; H159-E761 PolarHBondContact NE2-OE1 3.5Å; H159-E761 IonicContact NE2-OE2 2.74Å
160C40.9Very low47.1Very low56 Ų5657 Ų5738%0.37833%0.329SS..Hα-helixtrans-89.2-2.2-176.4-59.30000113.7E157 M162 A163 S164E157-C160 HydrophobicContact CB-CB 3.88Å; E157-C160 HydrophobicContact CG-CB 3.85Å; E157-C160 PolarHBondContact O-N 2.85Å; E157-C160 VanDerWaalsContact OE2-CB 3.23Å; E157-C160 WeakPolarHBondContact OE2-CB 3.47Å; C160-M162 PolarHBondContact O-N 3.28Å; C160-M162 VanDerWaalsContact O-N 3.17Å; C160-A163 HydrophobicContact CB-CB 4.19Å; C160-A163 PolarHBondContact O-N 3.1Å; C160-S164 WeakPolarHBondContact O-CB 3.46Å; C160-S164 PolarHBondContact O-N 3.28Å; C160-S164 PolarHBondContact O-OG 3.37Å
161D43.4Very low48Very low30 Ų3058 Ų5816%0.1633%0.332CS..Hα-helixtrans-57.9-24.5168.6-100.8-22.2000113.1R130 R154 E157 S164R130-D161 IonicContact NH1-OD2 3.47Å; R130-D161 PolarHBondContact NH1-OD2 2.94Å; R154-D161 IonicContact CZ-OD1 3.84Å; R154-D161 IonicContact NE-OD1 3.79Å; R154-D161 PolarHBondContact NE-OD1 3.21Å; R154-D161 PolarHBondContact NH2-O 3.39Å; R154-D161 IonicContact NH2-OD1 3.67Å; R154-D161 PolarHBondContact NH2-OD1 3.06Å; E157-D161 PolarHBondContact O-N 3.03Å; D161-S164 PolarHBondContact O-OG 3.2Å
162M41.5Very low49.5Very low81 Ų8159.1 Ų59.140%0.39933%0.334SS..Hα-helixtrans-85.4-43.9165.2-81.7-164.5-7200113.3C160 S164 T165 F788C160-M162 PolarHBondContact O-N 3.28Å; C160-M162 VanDerWaalsContact O-N 3.17Å; M162-S164 VanDerWaalsContact C-N 3.32Å; M162-S164 PolarHBondContact O-N 2.94Å; M162-T165 PolarHBondContact O-N 2.62Å; M162-T165 PolarHBondContact O-OG1 2.63Å; M162-F788 HydrophobicContact SD-CE2 4.09Å; M162-F788 HydrophobicContact SD-CZ 4.43Å
163A35.1Very low51.1Low48 Ų4859.5 Ų59.540%0.39734%0.336SS..Hα-helixtrans-59.8-39.9-177.700000112.7C160 T165 L166C160-A163 HydrophobicContact CB-CB 4.19Å; C160-A163 PolarHBondContact O-N 3.1Å; A163-T165 PolarHBondContact O-N 3.31Å; A163-T165 VanDerWaalsContact O-N 3.13Å; A163-L166 VanDerWaalsContact O-CB 3.29Å; A163-L166 WeakPolarHBondContact O-CB 3.47Å; A163-L166 WeakPolarHBondContact O-CD1 3.16Å; A163-L166 VanDerWaalsContact O-CG 3.3Å; A163-L166 WeakPolarHBondContact O-CG 3.49Å; A163-L166 PolarHBondContact O-N 2.91Å
164S39.4Very low53.2Low40 Ų4058.2 Ų58.228%0.2833%0.325SS..G310 helixtrans-62.3-16.8174.6570000114R154 C160 D161 M162R154-S164 PolarHBondContact NH2-OG 2.93Å; C160-S164 WeakPolarHBondContact O-CB 3.46Å; C160-S164 PolarHBondContact O-N 3.28Å; C160-S164 PolarHBondContact O-OG 3.37Å; D161-S164 PolarHBondContact O-OG 3.2Å; M162-S164 VanDerWaalsContact C-N 3.32Å; M162-S164 PolarHBondContact O-N 2.94Å
165T44.2Very low55Low33 Ų3357.6 Ų57.620%0.20232%0.324CS..G310 helixtrans-88-1.6172.454.30000115.4M162 A163 I167 G168 P170 M173M162-T165 PolarHBondContact O-N 2.62Å; M162-T165 PolarHBondContact O-OG1 2.63Å; A163-T165 PolarHBondContact O-N 3.31Å; A163-T165 VanDerWaalsContact O-N 3.13Å; T165-I167 PolarHBondContact O-N 2.97Å; T165-G168 PolarHBondContact O-N 3.45Å; T165-G168 VanDerWaalsContact O-O 3.06Å; T165-P170 HydrophobicContact CG2-CB 3.88Å; T165-P170 HydrophobicContact CG2-CG 4.28Å; T165-M173 HydrophobicContact CG2-CE 3.58Å; T165-M173 HydrophobicContact CG2-SD 4.36Å
166L35.1Very low57.1Low138 Ų13854.6 Ų54.672%0.72331%0.306SS*.G310 helixtrans-59.5-16.4171.3-70.4168.3000113.4A163A163-L166 VanDerWaalsContact O-CB 3.29Å; A163-L166 WeakPolarHBondContact O-CB 3.47Å; A163-L166 WeakPolarHBondContact O-CD1 3.16Å; A163-L166 VanDerWaalsContact O-CG 3.3Å; A163-L166 WeakPolarHBondContact O-CG 3.49Å; A163-L166 PolarHBondContact O-N 2.91Å
167I42.2Very low59.3Low150 Ų15053.5 Ų53.577%0.76930%0.3SS*.G310 helixtrans-95-5.9-179.2-55.5178000112.2T165T165-I167 PolarHBondContact O-N 2.97Å
168G52.3Low61Low45 Ų4552.1 Ų52.146%0.46429%0.293SS..SBendtrans-178.1148.9176.300000117T165 P170T165-G168 PolarHBondContact O-N 3.45Å; T165-G168 VanDerWaalsContact O-O 3.06Å; G168-P170 WeakPolarHBondContact O-CD 3.42Å
169T55.9Low62.4Low51 Ų5149.7 Ų49.731%0.31329%0.285SS..  trans-62.8120.8-179.8-53.30000111.9Y171 L214T169-Y171 HydrophobicContact CG2-CD1 4.18Å; T169-Y171 HydrophobicContact CG2-CD2 4.49Å; T169-Y171 HydrophobicContact CG2-CE1 3.52Å; T169-Y171 HydrophobicContact CG2-CE2 3.85Å; T169-Y171 WeakPolarHBondContact O-CD2 3.48Å; T169-Y171 WeakPolarHBondContact O-CE2 3.48Å; T169-Y171 PolarHBondContact O-N 2.75Å; T169-L214 HydrophobicContact CG2-CB 4.41Å; T169-L214 HydrophobicContact CG2-CD2 3.4Å; T169-L214 VanDerWaalsContact CG2-CD2 3.4Å; T169-L214 HydrophobicContact CG2-CG 4.5Å
170P76.9Confident63.6Low17 Ų1749.5 Ų49.511%0.1129%0.288CS..  trans-97.277.1-164.637-35.5000113.7T165 G168 Y172 M173 M211T165-P170 HydrophobicContact CG2-CB 3.88Å; T165-P170 HydrophobicContact CG2-CG 4.28Å; G168-P170 WeakPolarHBondContact O-CD 3.42Å; P170-Y172 PolarHBondContact O-N 2.97Å; P170-M173 HydrophobicContact CB-CB 4.43Å; P170-M173 HydrophobicContact CB-CE 4.43Å; P170-M173 HydrophobicContact CB-CG 3.89Å; P170-M173 HydrophobicContact CB-SD 3.6Å; P170-M173 HydrophobicContact CG-CG 4.25Å; P170-M173 HydrophobicContact CG-SD 3.48Å; P170-M173 WeakPolarHBondContact CG-SD 3.31Å; P170-M173 PolarHBondContact O-N 2.98Å; P170-M173 VanDerWaalsContact O-N 3.15Å; P170-M211 WeakPolarHBondContact CD-SD 3.48Å; P170-M211 HydrophobicContact CG-CE 3.69Å; P170-M211 HydrophobicContact CG-SD 3.98Å
171Y88.4Confident65.1Low31 Ų3153.2 Ų53.212%0.12230%0.297CS..THydrogen-bonded Turntrans-63.7-5.5-172.9-54-79.4000117.3T169 R204 F206 N207 L214T169-Y171 HydrophobicContact CG2-CD1 4.18Å; T169-Y171 HydrophobicContact CG2-CD2 4.49Å; T169-Y171 HydrophobicContact CG2-CE1 3.52Å; T169-Y171 HydrophobicContact CG2-CE2 3.85Å; T169-Y171 WeakPolarHBondContact O-CD2 3.48Å; T169-Y171 WeakPolarHBondContact O-CE2 3.48Å; T169-Y171 PolarHBondContact O-N 2.75Å; Y171-R204 HydrophobicContact CD1-CB 4.47Å; Y171-R204 HydrophobicContact CD1-CG 4.45Å; Y171-R204 HydrophobicContact CG-CG 4.22Å; Y171-R204 PolarHBondContact OH-NH1 3.29Å; Y171-F206 WeakPolarHBondContact CD1-O 3.42Å; Y171-N207 VanDerWaalsContact CE1-OD1 3.27Å; Y171-N207 WeakPolarHBondContact CE1-OD1 3.37Å; Y171-L214 HydrophobicContact CD1-CD1 4.19Å; Y171-L214 HydrophobicContact CD1-CD2 3.79Å; Y171-L214 HydrophobicContact CE1-CD2 4.12Å; Y171-L214 HydrophobicContact CG-CD2 4.43Å
172Y90.9Very high66.5Low29 Ų2956.9 Ų56.911%0.11432%0.323CS..THydrogen-bonded Turntrans-111.8-2.3-179.8-48.4-91.8000112.9K133 T134 Q135 P170 C194 E198K133-Y172 HydrophobicContact CB-CD1 4.06Å; K133-Y172 HydrophobicContact CB-CD2 3.54Å; K133-Y172 HydrophobicContact CB-CE1 4.08Å; K133-Y172 HydrophobicContact CB-CE2 3.54Å; K133-Y172 HydrophobicContact CB-CG 3.83Å; T134-Y172 PolarHBondContact OG1-OH 2.77Å; T134-Y172 VanDerWaalsContact OG1-OH 3.1Å; Q135-Y172 PolarHBondContact NE2-OH 2.9Å; P170-Y172 PolarHBondContact O-N 2.97Å; Y172-C194 HydrophobicContact CD1-CB 3.72Å; Y172-C194 HydrophobicContact CE1-CB 4.35Å; Y172-E198 PolarHBondContact OH-OE2 2.94Å
173M88.5Confident68.5Low27 Ų2754.8 Ų54.813%0.13331%0.311CS..  trans-67.4145.1174.6-84.2-179.5163.500111.8T165 P170 L177 F178 W190T165-M173 HydrophobicContact CG2-CE 3.58Å; T165-M173 HydrophobicContact CG2-SD 4.36Å; P170-M173 HydrophobicContact CB-CB 4.43Å; P170-M173 HydrophobicContact CB-CE 4.43Å; P170-M173 HydrophobicContact CB-CG 3.89Å; P170-M173 HydrophobicContact CB-SD 3.6Å; P170-M173 HydrophobicContact CG-CG 4.25Å; P170-M173 HydrophobicContact CG-SD 3.48Å; P170-M173 WeakPolarHBondContact CG-SD 3.31Å; P170-M173 PolarHBondContact O-N 2.98Å; P170-M173 VanDerWaalsContact O-N 3.15Å; M173-L177 HydrophobicContact CB-CD1 4.11Å; M173-L177 HydrophobicContact CG-CD1 3.87Å; M173-F178 HydrophobicContact CB-CE2 3.88Å; M173-F178 HydrophobicContact CB-CZ 3.58Å; M173-F178 HydrophobicContact CG-CZ 4.3Å; M173-F178 HydrophobicContact SD-CE1 3.9Å; M173-F178 HydrophobicContact SD-CZ 3.75Å; M173-W190 PolarHBondContact O-NE1 3.47Å
174S90.3Very high70.9Confident1 Ų154.8 Ų54.81%0.00730%0.304CS..  trans-97.8155.1-178.156.30000112.8E176 L177 W190S174-E176 VanDerWaalsContact CB-CD 3.47Å; S174-E176 VanDerWaalsContact CB-OE1 3.24Å; S174-E176 WeakPolarHBondContact CB-OE1 3.37Å; S174-E176 VanDerWaalsContact CB-OE2 3.29Å; S174-E176 WeakPolarHBondContact CB-OE2 3.34Å; S174-E176 PolarHBondContact O-N 3.32Å; S174-E176 VanDerWaalsContact O-N 3.13Å; S174-E176 PolarHBondContact OG-OE1 3.15Å; S174-E176 PolarHBondContact OG-OE2 3.01Å; S174-L177 PolarHBondContact O-N 3.18Å; S174-L177 VanDerWaalsContact O-N 3.13Å; S174-W190 VanDerWaalsContact CB-CG 3.49Å
175P89.8Confident73.3Confident12 Ų1257.1 Ų57.18%0.07831%0.307CS..THydrogen-bonded Turntrans-55.3-33.4-173.2-25.431.7000114.9L177 F178 S179 W190 I218P175-L177 VanDerWaalsContact C-N 3.28Å; P175-L177 PolarHBondContact O-N 3.43Å; P175-F178 PolarHBondContact O-N 3.46Å; P175-S179 PolarHBondContact O-OG 2.8Å; P175-S179 VanDerWaalsContact O-OG 3.08Å; P175-W190 HydrophobicContact CG-CE3 4.32Å; P175-W190 HydrophobicContact CG-CH2 3.61Å; P175-W190 HydrophobicContact CG-CZ2 4.08Å; P175-W190 HydrophobicContact CG-CZ3 3.73Å; P175-I218 HydrophobicContact CB-CG2 4.17Å; P175-I218 HydrophobicContact CG-CG2 3.69Å
176E84Confident75.8Confident6 Ų657.9 Ų57.93%0.02831%0.308CS..THydrogen-bonded Turntrans-66.4-27.5-177.766.9-85.8-166.800113.2S174 S179 K181 S187 P246 R249S174-E176 VanDerWaalsContact CB-CD 3.47Å; S174-E176 VanDerWaalsContact CB-OE1 3.24Å; S174-E176 WeakPolarHBondContact CB-OE1 3.37Å; S174-E176 VanDerWaalsContact CB-OE2 3.29Å; S174-E176 WeakPolarHBondContact CB-OE2 3.34Å; S174-E176 PolarHBondContact O-N 3.32Å; S174-E176 VanDerWaalsContact O-N 3.13Å; S174-E176 PolarHBondContact OG-OE1 3.15Å; S174-E176 PolarHBondContact OG-OE2 3.01Å; E176-S179 CarbonylContact O-C 3.56Å; E176-S179 WeakPolarHBondContact O-CA 3.41Å; E176-S179 WeakPolarHBondContact O-CB 3.49Å; E176-S179 PolarHBondContact O-N 3.45Å; E176-K181 HydrophobicContact CB-CB 3.99Å; E176-K181 HydrophobicContact CB-CD 4.39Å; E176-K181 WeakPolarHBondContact O-CB 3.49Å; E176-K181 PolarHBondContact O-N 3.41Å; E176-S187 WeakPolarHBondContact OE1-CA 3.43Å; E176-S187 WeakPolarHBondContact OE1-CB 3.19Å; E176-S187 PolarHBondContact OE1-OG 2.88Å; E176-P246 HydrophobicContact CB-CG 4.04Å; E176-P246 HydrophobicContact CG-CG 4.03Å; E176-R249 IonicContact OE1-CZ 3.43Å; E176-R249 IonicContact OE1-NH1 2.71Å; E176-R249 PolarHBondContact OE1-NH1 3.22Å; E176-R249 IonicContact OE1-NH2 3.37Å; E176-R249 IonicContact OE2-CZ 3.62Å; E176-R249 IonicContact OE2-NH1 2.71Å; E176-R249 PolarHBondContact OE2-NH1 3.33Å; E176-R249 IonicContact OE2-NH2 3.55Å; E176-R249 PolarHBondContact OE2-NH2 2.9Å
177L81.8Confident78.5Confident32 Ų3251.3 Ų51.317%0.16827%0.273CS..G310 helixtrans-68.6-36.3177.6-57175.8000111.6M173 S174 P175 S179 N180 Y183M173-L177 HydrophobicContact CB-CD1 4.11Å; M173-L177 HydrophobicContact CG-CD1 3.87Å; S174-L177 PolarHBondContact O-N 3.18Å; S174-L177 VanDerWaalsContact O-N 3.13Å; P175-L177 VanDerWaalsContact C-N 3.28Å; P175-L177 PolarHBondContact O-N 3.43Å; L177-S179 PolarHBondContact O-N 3.08Å; L177-N180 PolarHBondContact O-N 3.09Å; L177-Y183 HydrophobicContact CD1-CD2 3.81Å; L177-Y183 HydrophobicContact CD1-CE2 4.02Å; L177-Y183 HydrophobicContact CD2-CD2 3.73Å; L177-Y183 HydrophobicContact CD2-CG 4.26Å; L177-Y183 HydrophobicContact CG-CD2 4.37Å
178F79.3Confident81Confident45 Ų4544.1 Ų44.120%0.19724%0.237CC..G310 helixtrans-75.71.3172.1-52.2-61000113.3M173 P175 M211 V215 I218 I219M173-F178 HydrophobicContact CB-CE2 3.88Å; M173-F178 HydrophobicContact CB-CZ 3.58Å; M173-F178 HydrophobicContact CG-CZ 4.3Å; M173-F178 HydrophobicContact SD-CE1 3.9Å; M173-F178 HydrophobicContact SD-CZ 3.75Å; P175-F178 PolarHBondContact O-N 3.46Å; F178-M211 HydrophobicContact CE1-CE 3.63Å; F178-M211 HydrophobicContact CZ-CE 4.22Å; F178-V215 HydrophobicContact CB-CG1 4.02Å; F178-V215 HydrophobicContact CD1-CG1 4.22Å; F178-V215 HydrophobicContact CD1-CG2 3.71Å; F178-V215 HydrophobicContact CD2-CG1 4.26Å; F178-V215 HydrophobicContact CD2-CG2 4.39Å; F178-V215 HydrophobicContact CE1-CG2 3.65Å; F178-V215 HydrophobicContact CE2-CG2 4.33Å; F178-V215 HydrophobicContact CG-CG1 3.88Å; F178-V215 HydrophobicContact CG-CG2 4.1Å; F178-V215 HydrophobicContact CZ-CG2 3.96Å; F178-I218 HydrophobicContact CD2-CG2 4.18Å; F178-I218 HydrophobicContact CE2-CB 4.48Å; F178-I218 HydrophobicContact CE2-CD1 3.79Å; F178-I218 HydrophobicContact CE2-CG2 4.04Å; F178-I218 HydrophobicContact CZ-CD1 4.32Å; F178-I219 HydrophobicContact CB-CD1 4.42Å
179S70.6Confident83.2Confident63 Ų6342 Ų4244%0.44122%0.215SC..G310 helixtrans-112.714.8177-47.90000112.2P175 E176 L177 K181P175-S179 PolarHBondContact O-OG 2.8Å; P175-S179 VanDerWaalsContact O-OG 3.08Å; E176-S179 CarbonylContact O-C 3.56Å; E176-S179 WeakPolarHBondContact O-CA 3.41Å; E176-S179 WeakPolarHBondContact O-CB 3.49Å; E176-S179 PolarHBondContact O-N 3.45Å; L177-S179 PolarHBondContact O-N 3.08Å; S179-K181 PolarHBondContact O-N 3.3Å; S179-K181 VanDerWaalsContact O-N 3.14Å
180N65.5Low85.2Confident104 Ų10439.6 Ų39.656%0.55620%0.2SC*.THydrogen-bonded Turntrans52.227.1-171.9-65.1-1.8000114.4L177L177-N180 PolarHBondContact O-N 3.09Å
181K71.8Confident86.1Confident134 Ų13438.9 Ų38.958%0.58320%0.195SC*.PPolyproline II helixtrans-92.3144.3174-65.2-177.3178.9-174.30110E176 S179E176-K181 HydrophobicContact CB-CB 3.99Å; E176-K181 HydrophobicContact CB-CD 4.39Å; E176-K181 WeakPolarHBondContact O-CB 3.49Å; E176-K181 PolarHBondContact O-N 3.41Å; S179-K181 PolarHBondContact O-N 3.3Å; S179-K181 VanDerWaalsContact O-N 3.14Å
182P73.8Confident86.6Confident107 Ų10737.4 Ų37.470%0.69519%0.189SC*.PPolyproline II helixtrans-67.7143.8-173.226.4-35.1000113.6N184P182-N184 PolarHBondContact O-N 3.41Å; P182-N184 PolarHBondContact O-ND2 2.93Å
183Y82.3Confident87Confident38 Ų3836 Ų3615%0.14918%0.184CC..PPolyproline II helixtrans-59.2133.3171.9-160-71.7000110.5L128 R130 L177 D188L128-Y183 HydrophobicContact CD1-CD1 4.34Å; R130-Y183 HydrophobicContact CG-CD1 4.04Å; R130-Y183 HydrophobicContact CG-CE1 4.18Å; R130-Y183 HydrophobicContact CG-CG 4.37Å; R130-Y183 PolarHBondContact O-OH 3.34Å; L177-Y183 HydrophobicContact CD1-CD2 3.81Å; L177-Y183 HydrophobicContact CD1-CE2 4.02Å; L177-Y183 HydrophobicContact CD2-CD2 3.73Å; L177-Y183 HydrophobicContact CD2-CG 4.26Å; L177-Y183 HydrophobicContact CG-CD2 4.37Å; Y183-D188 WeakPolarHBondContact CE1-OD1 2.9Å; Y183-D188 PolarHBondContact OH-N 3.14Å; Y183-D188 PolarHBondContact OH-OD1 2.91Å; Y183-D188 VanDerWaalsContact OH-OD1 3.11Å
184N85.2Confident87.4Confident47 Ų4734.9 Ų34.925%0.25118%0.179SC..  trans-146.9179.1-174.263.880.5000111.8P182 K186 S187 D188P182-N184 PolarHBondContact O-N 3.41Å; P182-N184 PolarHBondContact O-ND2 2.93Å; N184-K186 PolarHBondContact O-N 2.92Å; N184-K186 VanDerWaalsContact O-N 3.09Å; N184-K186 VanDerWaalsContact OD1-CB 3.26Å; N184-K186 WeakPolarHBondContact OD1-CB 3.47Å; N184-K186 PolarHBondContact OD1-N 2.75Å; N184-S187 PolarHBondContact N-OG 2.83Å; N184-S187 VanDerWaalsContact N-OG 3.12Å; N184-S187 PolarHBondContact ND2-OG 2.8Å; N184-S187 WeakPolarHBondContact O-CA 3.5Å; N184-S187 WeakPolarHBondContact O-CB 3.32Å; N184-S187 PolarHBondContact O-N 2.54Å; N184-S187 PolarHBondContact O-OG 3.37Å; N184-D188 PolarHBondContact O-N 2.61Å
185Y91.1Very high87.8Confident89 Ų8934.8 Ų34.835%0.34918%0.178SC..Hα-helixtrans-58-28.3-175.8-56.2-71.2000113.6H123 H126 L128 S187 V189H123-Y185 HydrophobicContact CB-CD1 4.04Å; H123-Y185 HydrophobicContact CB-CE1 4.32Å; H123-Y185 AromaticContact CD2-CD1 3.62Å; H123-Y185 PolarHBondContact CE1-O 3.06Å; H123-Y185 AromaticContact CG-CD1 3.61Å; H123-Y185 AromaticContact ND1-CD1 3.88Å; H123-Y185 AromaticContact NE2-CD1 3.86Å; H126-Y185 VanDerWaalsContact CA-OH 3.32Å; H126-Y185 WeakPolarHBondContact CA-OH 3.14Å; H126-Y185 WeakPolarHBondContact CB-OH 3.37Å; L128-Y185 HydrophobicContact CD2-CD1 3.4Å; L128-Y185 HydrophobicContact CD2-CE1 3.76Å; L128-Y185 HydrophobicContact CD2-CG 3.88Å; L128-Y185 VanDerWaalsContact CD2-N 3.32Å; L128-Y185 HydrophobicContact CG-CD1 4.39Å; L128-Y185 HydrophobicContact CG-CE1 4.29Å; Y185-S187 VanDerWaalsContact C-N 3.33Å; Y185-V189 WeakPolarHBondContact O-CG2 3.4Å; Y185-V189 PolarHBondContact O-N 3.35Å
186K95.4Very high88.2Confident49 Ų4934.2 Ų34.221%0.21317%0.174CC..Hα-helixtrans-78.9-17.8176.5-51.7-65.5-156.880.10112.3N184 W190 P246 E247 R249N184-K186 PolarHBondContact O-N 2.92Å; N184-K186 VanDerWaalsContact O-N 3.09Å; N184-K186 VanDerWaalsContact OD1-CB 3.26Å; N184-K186 WeakPolarHBondContact OD1-CB 3.47Å; N184-K186 PolarHBondContact OD1-N 2.75Å; K186-W190 PolarHBondContact O-N 3.23Å; K186-W190 VanDerWaalsContact O-N 3.1Å; K186-P246 HydrophobicContact CB-CB 3.88Å; K186-P246 WeakPolarHBondContact CB-O 3.28Å; K186-P246 WeakPolarHBondContact CD-O 3.39Å; K186-P246 HydrophobicContact CG-CB 4.33Å; K186-P246 WeakPolarHBondContact CG-O 3.42Å; K186-P246 PolarHBondContact NZ-O 3.23Å; K186-E247 PolarHBondContact NZ-O 3.32Å; K186-R249 HydrophobicContact CD-CB 4.37Å; K186-R249 VanDerWaalsContact CE-O 3.28Å; K186-R249 WeakPolarHBondContact CE-O 3.32Å; K186-R249 PolarHBondContact NZ-O 2.78Å; K186-R249 VanDerWaalsContact O-CD 3.29Å; K186-R249 WeakPolarHBondContact O-CD 3.08Å; K186-R249 PolarHBondContact O-NH1 3.3Å
187S93.3Very high88.8Confident0 Ų034.3 Ų34.30%018%0.175CC..Hα-helixtrans-73.5-40.9171-44.90000110.8E176 N184 Y185 V189 W190 A191E176-S187 WeakPolarHBondContact OE1-CA 3.43Å; E176-S187 WeakPolarHBondContact OE1-CB 3.19Å; E176-S187 PolarHBondContact OE1-OG 2.88Å; N184-S187 PolarHBondContact N-OG 2.83Å; N184-S187 VanDerWaalsContact N-OG 3.12Å; N184-S187 PolarHBondContact ND2-OG 2.8Å; N184-S187 WeakPolarHBondContact O-CA 3.5Å; N184-S187 WeakPolarHBondContact O-CB 3.32Å; N184-S187 PolarHBondContact O-N 2.54Å; N184-S187 PolarHBondContact O-OG 3.37Å; Y185-S187 VanDerWaalsContact C-N 3.33Å; S187-V189 VanDerWaalsContact C-N 3.3Å; S187-V189 PolarHBondContact O-N 2.84Å; S187-W190 PolarHBondContact O-N 3.24Å; S187-A191 PolarHBondContact O-N 3.35Å
188D94.6Very high89.6Confident0 Ų033.3 Ų33.30%017%0.169CC..Hα-helixtrans-60-39.9168.8-77.5-28.1000111.1L119 H123 L128 H129 R130 Y183 N184 W190 A191 L192L119-D188 HydrophobicContact CD2-CB 4.44Å; H123-D188 IonicContact CD2-OD2 2.67Å; H123-D188 IonicContact CE1-OD2 3.55Å; H123-D188 IonicContact NE2-OD2 3.97Å; H123-D188 PolarHBondContact NE2-OD2 3.26Å; L128-D188 WeakPolarHBondContact CA-OD2 3.49Å; H129-D188 WeakPolarHBondContact CA-OD1 3.4Å; H129-D188 VanDerWaalsContact CB-OD1 3.32Å; H129-D188 WeakPolarHBondContact CB-OD1 3.32Å; H129-D188 PolarHBondContact N-OD1 3.3Å; H129-D188 VanDerWaalsContact N-OD1 3.13Å; H129-D188 PolarHBondContact N-OD2 3.02Å; R130-D188 PolarHBondContact N-OD1 3.18Å; Y183-D188 WeakPolarHBondContact CE1-OD1 2.9Å; Y183-D188 PolarHBondContact OH-N 3.14Å; Y183-D188 PolarHBondContact OH-OD1 2.91Å; Y183-D188 VanDerWaalsContact OH-OD1 3.11Å; N184-D188 PolarHBondContact O-N 2.61Å; D188-W190 PolarHBondContact O-N 2.97Å; D188-A191 PolarHBondContact O-N 3.41Å; D188-L192 WeakPolarHBondContact O-CB 3.45Å; D188-L192 PolarHBondContact O-N 3.37Å
189V98.3Very high90.5Very high1 Ų131.1 Ų31.11%0.00616%0.159CC..Hα-helixtrans-63.9-36.6176170.70000112.5Y185 S187 L192 G193 M241 R249 V252 I255Y185-V189 WeakPolarHBondContact O-CG2 3.4Å; Y185-V189 PolarHBondContact O-N 3.35Å; S187-V189 VanDerWaalsContact C-N 3.3Å; S187-V189 PolarHBondContact O-N 2.84Å; V189-L192 WeakPolarHBondContact O-CB 3.4Å; V189-L192 PolarHBondContact O-N 3.11Å; V189-G193 PolarHBondContact O-N 2.84Å; V189-M241 HydrophobicContact CG1-CB 4.08Å; V189-M241 HydrophobicContact CG1-CG 3.88Å; V189-R249 HydrophobicContact CG1-CB 4.02Å; V189-V252 HydrophobicContact CG2-CG2 3.77Å; V189-I255 HydrophobicContact CG1-CD1 4.27Å
190W97.6Very high91.7Very high0 Ų028.1 Ų28.10%014%0.139CC..Hα-helixtrans-65.4-45.6173.3172.1-80.2000111.3M173 S174 P175 K186 S187 D188 L192 G193 C194 F206 I218 L242M173-W190 PolarHBondContact O-NE1 3.47Å; S174-W190 VanDerWaalsContact CB-CG 3.49Å; P175-W190 HydrophobicContact CG-CE3 4.32Å; P175-W190 HydrophobicContact CG-CH2 3.61Å; P175-W190 HydrophobicContact CG-CZ2 4.08Å; P175-W190 HydrophobicContact CG-CZ3 3.73Å; K186-W190 PolarHBondContact O-N 3.23Å; K186-W190 VanDerWaalsContact O-N 3.1Å; S187-W190 PolarHBondContact O-N 3.24Å; D188-W190 PolarHBondContact O-N 2.97Å; W190-L192 VanDerWaalsContact C-N 3.28Å; W190-L192 PolarHBondContact O-N 2.7Å; W190-G193 WeakPolarHBondContact O-CA 3.28Å; W190-G193 PolarHBondContact O-N 3.46Å; W190-G193 VanDerWaalsContact O-N 3.07Å; W190-C194 PolarHBondContact O-N 3.28Å; W190-F206 AromaticContact CH2-CE2 3.64Å; W190-F206 HydrophobicContact CH2-CE2 3.64Å; W190-F206 AromaticContact CH2-CZ 3.64Å; W190-F206 HydrophobicContact CH2-CZ 3.64Å; W190-F206 AromaticContact CZ2-CD2 3.9Å; W190-F206 HydrophobicContact CZ2-CD2 3.9Å; W190-F206 AromaticContact CZ2-CE2 3.23Å; W190-F206 HydrophobicContact CZ2-CE2 3.23Å; W190-F206 AromaticContact CZ2-CZ 3.75Å; W190-F206 HydrophobicContact CZ2-CZ 3.75Å; W190-I218 HydrophobicContact CH2-CG2 4.29Å; W190-I218 HydrophobicContact CZ2-CG2 3.83Å; W190-L242 HydrophobicContact CD2-CD2 3.67Å; W190-L242 HydrophobicContact CE3-CB 4.4Å; W190-L242 HydrophobicContact CE3-CD2 3.88Å; W190-L242 HydrophobicContact CG-CD2 4.04Å; W190-L242 HydrophobicContact CZ2-CD2 4.37Å; W190-L242 HydrophobicContact CZ3-CB 4.3Å; W190-L242 HydrophobicContact CZ3-CD2 4.34Å; W190-L242 VanDerWaalsContact CZ3-O 3.24Å; W190-L242 WeakPolarHBondContact CZ3-O 3.44Å; W190-L242 WeakPolarHBondContact O-CD2 3.43Å
191A96.7Very high93.2Very high1 Ų123.5 Ų23.51%0.00811%0.114CC..Hα-helixtrans-61.5-36.7176.400000112.2L132 S187 D188 C194 C195L132-A191 HydrophobicContact CB-CB 3.95Å; L132-A191 HydrophobicContact CD2-CB 4.14Å; L132-A191 HydrophobicContact CG-CB 4.33Å; S187-A191 PolarHBondContact O-N 3.35Å; D188-A191 PolarHBondContact O-N 3.41Å; A191-C194 PolarHBondContact O-N 2.97Å; A191-C195 PolarHBondContact O-N 3.18Å; A191-C195 PolarHBondContact O-SG 2.97Å
192L98.3Very high94.4Very high0 Ų019.1 Ų19.10%010%0.097CC..Hα-helixtrans-60.8-47.9170.1178.165.2000111F112 I115 A116 L119 L132 D188 V189 W190 C194 C195 V196 M241 I255F112-L192 HydrophobicContact CD2-CD1 3.98Å; F112-L192 HydrophobicContact CD2-CG 4.31Å; F112-L192 HydrophobicContact CE2-CD1 4.05Å; F112-L192 HydrophobicContact CE2-CD2 3.81Å; F112-L192 HydrophobicContact CE2-CG 3.89Å; I115-L192 HydrophobicContact CB-CD1 3.98Å; I115-L192 HydrophobicContact CG2-CD1 3.56Å; A116-L192 HydrophobicContact CB-CD2 4.49Å; L119-L192 HydrophobicContact CD1-CB 4.03Å; L119-L192 HydrophobicContact CD1-CD1 3.91Å; L119-L192 HydrophobicContact CD1-CD2 3.83Å; L119-L192 HydrophobicContact CD1-CG 4.14Å; L132-L192 HydrophobicContact CD2-CB 3.95Å; D188-L192 WeakPolarHBondContact O-CB 3.45Å; D188-L192 PolarHBondContact O-N 3.37Å; V189-L192 WeakPolarHBondContact O-CB 3.4Å; V189-L192 PolarHBondContact O-N 3.11Å; W190-L192 VanDerWaalsContact C-N 3.28Å; W190-L192 PolarHBondContact O-N 2.7Å; L192-C194 VanDerWaalsContact C-N 3.33Å; L192-C194 PolarHBondContact O-N 2.88Å; L192-C195 WeakPolarHBondContact O-CB 3.47Å; L192-C195 PolarHBondContact O-N 3.43Å; L192-V196 HydrophobicContact CD1-CG2 4.47Å; L192-V196 WeakPolarHBondContact O-CG2 3.43Å; L192-V196 PolarHBondContact O-N 3.33Å; L192-M241 HydrophobicContact CD2-SD 3.89Å; L192-M241 HydrophobicContact CG-SD 3.95Å; L192-I255 HydrophobicContact CD2-CD1 4.33Å
193G98.2Very high95.3Very high0 Ų021 Ų210%09%0.094CC..Hα-helixtrans-55.6-43.5174.500000113.3V189 W190 C195 V196 Y197V189-G193 PolarHBondContact O-N 2.84Å; W190-G193 WeakPolarHBondContact O-CA 3.28Å; W190-G193 PolarHBondContact O-N 3.46Å; W190-G193 VanDerWaalsContact O-N 3.07Å; G193-C195 PolarHBondContact O-N 2.83Å; G193-V196 PolarHBondContact O-N 3.22Å; G193-Y197 WeakPolarHBondContact O-CB 3.43Å; G193-Y197 PolarHBondContact O-N 3.13Å
194C97.9Very high95.9Very high3 Ų322.5 Ų22.52%0.0210%0.099CC..Hα-helixtrans-61.8-40173.3-79.10000112.4Y172 W190 A191 L192 E198Y172-C194 HydrophobicContact CD1-CB 3.72Å; Y172-C194 HydrophobicContact CE1-CB 4.35Å; W190-C194 PolarHBondContact O-N 3.28Å; A191-C194 PolarHBondContact O-N 2.97Å; L192-C194 VanDerWaalsContact C-N 3.33Å; L192-C194 PolarHBondContact O-N 2.88Å; C194-E198 WeakPolarHBondContact O-CB 3.48Å; C194-E198 PolarHBondContact O-N 3.32Å
195C97.9Very high96.3Very high0 Ų020.4 Ų20.40%09%0.089CC..Hα-helixtrans-66.3-41.5176.6-65.70000112.4T134 A191 L192 G193 E198 M199T134-C195 HydrophobicContact CG2-CB 4.04Å; A191-C195 PolarHBondContact O-N 3.18Å; A191-C195 PolarHBondContact O-SG 2.97Å; L192-C195 WeakPolarHBondContact O-CB 3.47Å; L192-C195 PolarHBondContact O-N 3.43Å; G193-C195 PolarHBondContact O-N 2.83Å; C195-E198 PolarHBondContact O-N 2.83Å; C195-M199 WeakPolarHBondContact O-CG 3.36Å; C195-M199 PolarHBondContact O-N 3.25Å
196V98.1Very high96.4Very high0 Ų016.5 Ų16.50%07%0.073CC..Hα-helixtrans-68.9-40.1178.2-175.70000111.5V108 F112 L192 G193 E198 M199 A200 L234 I238 M241V108-V196 HydrophobicContact CG1-CG1 4.17Å; F112-V196 HydrophobicContact CB-CG2 4.03Å; F112-V196 HydrophobicContact CD2-CG2 3.15Å; F112-V196 HydrophobicContact CE2-CG2 3.65Å; F112-V196 HydrophobicContact CG-CG2 3.76Å; L192-V196 HydrophobicContact CD1-CG2 4.47Å; L192-V196 WeakPolarHBondContact O-CG2 3.43Å; L192-V196 PolarHBondContact O-N 3.33Å; G193-V196 PolarHBondContact O-N 3.22Å; V196-E198 VanDerWaalsContact C-N 3.31Å; V196-E198 PolarHBondContact O-N 2.62Å; V196-M199 HydrophobicContact CB-CE 4.26Å; V196-M199 HydrophobicContact CG1-CE 4.48Å; V196-M199 HydrophobicContact CG2-CE 3.92Å; V196-M199 PolarHBondContact O-N 3.19Å; V196-A200 WeakPolarHBondContact O-CB 3.42Å; V196-A200 PolarHBondContact O-N 2.88Å; V196-L234 HydrophobicContact CG1-CD1 4.2Å; V196-I238 HydrophobicContact CB-CG1 4.18Å; V196-I238 HydrophobicContact CG1-CD1 3.82Å; V196-I238 HydrophobicContact CG1-CG1 3.66Å; V196-M241 HydrophobicContact CB-CE 4.33Å; V196-M241 HydrophobicContact CG2-CE 4.11Å
197Y98.1Very high96.1Very high8 Ų818.6 Ų18.63%0.0319%0.087CC..Hα-helixtrans-60.7-40.4171.6-176.1-82.1000111.7G193 A200 T201 K203 A205 L223 P224 M226 I238G193-Y197 WeakPolarHBondContact O-CB 3.43Å; G193-Y197 PolarHBondContact O-N 3.13Å; Y197-A200 PolarHBondContact O-N 3.01Å; Y197-T201 HydrophobicContact CD1-CG2 4.17Å; Y197-T201 WeakPolarHBondContact CD1-OG1 3.03Å; Y197-T201 HydrophobicContact CD2-CG2 4.12Å; Y197-T201 HydrophobicContact CE1-CG2 3.83Å; Y197-T201 WeakPolarHBondContact CE1-OG1 3.35Å; Y197-T201 HydrophobicContact CE2-CG2 3.79Å; Y197-T201 HydrophobicContact CG-CG2 4.31Å; Y197-T201 WeakPolarHBondContact O-CB 3.44Å; Y197-T201 WeakPolarHBondContact O-CG2 3.36Å; Y197-T201 PolarHBondContact O-N 2.92Å; Y197-T201 PolarHBondContact O-OG1 3.29Å; Y197-K203 VanDerWaalsContact CD1-O 3.3Å; Y197-K203 WeakPolarHBondContact CD1-O 3.23Å; Y197-K203 WeakPolarHBondContact CE1-O 3.09Å; Y197-A205 HydrophobicContact CD1-CB 3.72Å; Y197-A205 VanDerWaalsContact CE1-CA 3.43Å; Y197-A205 HydrophobicContact CE1-CB 4.28Å; Y197-A205 HydrophobicContact CG-CB 3.89Å; Y197-L223 HydrophobicContact CD2-CD1 3.68Å; Y197-L223 HydrophobicContact CD2-CD2 3.95Å; Y197-L223 HydrophobicContact CD2-CG 3.97Å; Y197-L223 HydrophobicContact CE2-CD1 3.71Å; Y197-L223 HydrophobicContact CE2-CD2 4.12Å; Y197-L223 HydrophobicContact CE2-CG 3.76Å; Y197-L223 HydrophobicContact CG-CD1 4.25Å; Y197-P224 WeakPolarHBondContact OH-CB 3.47Å; Y197-P224 WeakPolarHBondContact OH-CG 3.45Å; Y197-M226 HydrophobicContact CD2-SD 3.69Å; Y197-M226 HydrophobicContact CE2-SD 3.77Å; Y197-I238 HydrophobicContact CD2-CG2 4.14Å
198E97.3Very high95.8Very high10 Ų1019.8 Ų19.85%0.04710%0.097CC..Hα-helixtrans-67.1-38.9176.7-166.1170.6-144.600112.1L95 T134 Y172 C194 C195 V196 L202 K203L95-E198 HydrophobicContact CD1-CB 4.48Å; L95-E198 HydrophobicContact CD1-CG 4.02Å; T134-E198 WeakPolarHBondContact CB-OE2 3.14Å; T134-E198 HydrophobicContact CG2-CB 4.37Å; T134-E198 WeakPolarHBondContact CG2-OE2 3.46Å; T134-E198 PolarHBondContact OG1-OE2 2.89Å; Y172-E198 PolarHBondContact OH-OE2 2.94Å; C194-E198 WeakPolarHBondContact O-CB 3.48Å; C194-E198 PolarHBondContact O-N 3.32Å; C195-E198 PolarHBondContact O-N 2.83Å; V196-E198 VanDerWaalsContact C-N 3.31Å; V196-E198 PolarHBondContact O-N 2.62Å; E198-L202 VanDerWaalsContact O-CA 3.23Å; E198-L202 WeakPolarHBondContact O-CA 3.27Å; E198-L202 PolarHBondContact O-N 3.33Å; E198-K203 VanDerWaalsContact CA-O 3.32Å; E198-K203 WeakPolarHBondContact CA-O 3.48Å
199M97.9Very high95.3Very high0 Ų029.8 Ų29.80%014%0.14CC..Hα-helixtrans-61.3-44.5171.6-71.2-171.2-6600112.5L91 L95 V108 W111 F112 I115 C195 V196L91-M199 HydrophobicContact CD1-CG 4.4Å; L91-M199 HydrophobicContact CD1-SD 4.42Å; L91-M199 HydrophobicContact CD2-CG 4.05Å; L91-M199 HydrophobicContact CD2-SD 3.85Å; L95-M199 HydrophobicContact CD1-CG 4.05Å; L95-M199 HydrophobicContact CD2-CB 4.38Å; L95-M199 HydrophobicContact CD2-CG 4.24Å; V108-M199 HydrophobicContact CG1-CB 4.05Å; W111-M199 HydrophobicContact CB-CE 4.49Å; W111-M199 HydrophobicContact CB-SD 3.76Å; W111-M199 HydrophobicContact CE3-SD 3.9Å; F112-M199 HydrophobicContact CB-CE 4.06Å; I115-M199 HydrophobicContact CD1-CE 4.21Å; C195-M199 WeakPolarHBondContact O-CG 3.36Å; C195-M199 PolarHBondContact O-N 3.25Å; V196-M199 HydrophobicContact CB-CE 4.26Å; V196-M199 HydrophobicContact CG1-CE 4.48Å; V196-M199 HydrophobicContact CG2-CE 3.92Å; V196-M199 PolarHBondContact O-N 3.19Å
200A97.4Very high94.5Very high0 Ų032.8 Ų32.80%016%0.156CC..Hα-helixtrans-74.5-35.9-176.900000113.5V108 V196 Y197 M226 Y230V108-A200 HydrophobicContact CG1-CB 4.37Å; V196-A200 WeakPolarHBondContact O-CB 3.42Å; V196-A200 PolarHBondContact O-N 2.88Å; Y197-A200 PolarHBondContact O-N 3.01Å; A200-M226 HydrophobicContact CB-CE 3.64Å; A200-Y230 WeakPolarHBondContact CA-OH 3.34Å; A200-Y230 HydrophobicContact CB-CD2 4.42Å; A200-Y230 HydrophobicContact CB-CE1 4.39Å; A200-Y230 HydrophobicContact CB-CE2 3.88Å; A200-Y230 WeakPolarHBondContact O-CE2 3.08Å; A200-Y230 VanDerWaalsContact O-CZ 3.27Å; A200-Y230 PolarHBondContact O-OH 2.86Å
201T96.5Very high93.6Very high7 Ų736 Ų364%0.04317%0.172CC..Hα-helixtrans-110.4-8.1-169.870.20000114.9Y197 K203 M226 P227Y197-T201 HydrophobicContact CD1-CG2 4.17Å; Y197-T201 WeakPolarHBondContact CD1-OG1 3.03Å; Y197-T201 HydrophobicContact CD2-CG2 4.12Å; Y197-T201 HydrophobicContact CE1-CG2 3.83Å; Y197-T201 WeakPolarHBondContact CE1-OG1 3.35Å; Y197-T201 HydrophobicContact CE2-CG2 3.79Å; Y197-T201 HydrophobicContact CG-CG2 4.31Å; Y197-T201 WeakPolarHBondContact O-CB 3.44Å; Y197-T201 WeakPolarHBondContact O-CG2 3.36Å; Y197-T201 PolarHBondContact O-N 2.92Å; Y197-T201 PolarHBondContact O-OG1 3.29Å; T201-K203 WeakPolarHBondContact O-CG 3.22Å; T201-K203 PolarHBondContact O-N 3.45Å; T201-K203 PolarHBondContact OG1-N 3.05Å; T201-K203 PolarHBondContact OG1-O 3.44Å; T201-K203 VanDerWaalsContact OG1-O 3.09Å; T201-M226 HydrophobicContact CG2-CE 4.44Å; T201-M226 HydrophobicContact CG2-SD 3.95Å; T201-P227 HydrophobicContact CG2-CG 4.37Å
202L95.8Very high92.9Very high42 Ų4238.3 Ų38.322%0.2218%0.184CC..SBendtrans5522.8-168.6-50.2-178.7000113.5L95 Q98 Q101 L102 E198L95-L202 HydrophobicContact CB-CD2 4.05Å; L95-L202 HydrophobicContact CD2-CD2 3.86Å; L95-L202 HydrophobicContact CG-CD2 4.5Å; Q98-L202 HydrophobicContact CB-CD1 3.86Å; Q98-L202 HydrophobicContact CB-CD2 4.38Å; Q98-L202 HydrophobicContact CG-CD2 4.22Å; Q101-L202 WeakPolarHBondContact O-CD1 3.17Å; L102-L202 HydrophobicContact CD2-CG 4.38Å; E198-L202 VanDerWaalsContact O-CA 3.23Å; E198-L202 WeakPolarHBondContact O-CA 3.27Å; E198-L202 PolarHBondContact O-N 3.33Å
203K94.3Very high92.3Very high146 Ų14640.7 Ų40.764%0.63520%0.201SC*.SBendtrans-139.2153-174.2-66.2162.1-170.9165.60109.8Y197 E198 T201Y197-K203 VanDerWaalsContact CD1-O 3.3Å; Y197-K203 WeakPolarHBondContact CD1-O 3.23Å; Y197-K203 WeakPolarHBondContact CE1-O 3.09Å; E198-K203 VanDerWaalsContact CA-O 3.32Å; E198-K203 WeakPolarHBondContact CA-O 3.48Å; T201-K203 WeakPolarHBondContact O-CG 3.22Å; T201-K203 PolarHBondContact O-N 3.45Å; T201-K203 PolarHBondContact OG1-N 3.05Å; T201-K203 PolarHBondContact OG1-O 3.44Å; T201-K203 VanDerWaalsContact OG1-O 3.09Å
204R94.3Very high91.8Very high70 Ų7040.7 Ų40.726%0.26420%0.201SC..  trans-70139.5174.1-68155.2172.1174.6-8.7110.5Y171 F206 N207Y171-R204 HydrophobicContact CD1-CB 4.47Å; Y171-R204 HydrophobicContact CD1-CG 4.45Å; Y171-R204 HydrophobicContact CG-CG 4.22Å; Y171-R204 PolarHBondContact OH-NH1 3.29Å; R204-F206 VanDerWaalsContact C-N 3.32Å; R204-F206 WeakPolarHBondContact CB-O 3.33Å; R204-F206 PolarHBondContact O-N 3.15Å; R204-N207 HydrophobicContact CB-CB 4.41Å
205A93.9Very high91.2Very high3 Ų341.8 Ų41.83%0.02521%0.207CC..SBendtrans-56.2-46.3177.900000112.2Y197 L223 P224 L242Y197-A205 HydrophobicContact CD1-CB 3.72Å; Y197-A205 VanDerWaalsContact CE1-CA 3.43Å; Y197-A205 HydrophobicContact CE1-CB 4.28Å; Y197-A205 HydrophobicContact CG-CB 3.89Å; A205-L223 HydrophobicContact CB-CD1 3.71Å; A205-P224 WeakPolarHBondContact O-CD 3.46Å; A205-L242 HydrophobicContact CB-CD1 4.08Å
206F93.1Very high90.7Very high6 Ų646.8 Ų46.83%0.02623%0.227CC..SBendtrans-119.5134.5173.6-51.9-80.7000108Y171 W190 R204 L214 R217 I218 L223 L242Y171-F206 WeakPolarHBondContact CD1-O 3.42Å; W190-F206 AromaticContact CH2-CE2 3.64Å; W190-F206 HydrophobicContact CH2-CE2 3.64Å; W190-F206 AromaticContact CH2-CZ 3.64Å; W190-F206 HydrophobicContact CH2-CZ 3.64Å; W190-F206 AromaticContact CZ2-CD2 3.9Å; W190-F206 HydrophobicContact CZ2-CD2 3.9Å; W190-F206 AromaticContact CZ2-CE2 3.23Å; W190-F206 HydrophobicContact CZ2-CE2 3.23Å; W190-F206 AromaticContact CZ2-CZ 3.75Å; W190-F206 HydrophobicContact CZ2-CZ 3.75Å; R204-F206 VanDerWaalsContact C-N 3.32Å; R204-F206 WeakPolarHBondContact CB-O 3.33Å; R204-F206 PolarHBondContact O-N 3.15Å; F206-L214 HydrophobicContact CB-CD1 3.57Å; F206-R217 HydrophobicContact CB-CB 4.43Å; F206-R217 HydrophobicContact CD1-CB 4.32Å; F206-R217 WeakPolarHBondContact CD1-O 3.32Å; F206-I218 HydrophobicContact CB-CG1 3.85Å; F206-I218 HydrophobicContact CD1-CG1 4.38Å; F206-I218 HydrophobicContact CD2-CG1 4.02Å; F206-I218 HydrophobicContact CG-CG1 3.8Å; F206-L223 HydrophobicContact CZ-CD1 4.36Å; F206-L242 HydrophobicContact CE2-CD1 4.45Å; F206-L242 HydrophobicContact CE2-CD2 4.42Å
207N88.9Confident90.2Very high94 Ų9452.4 Ų52.450%0.50325%0.248SC..  trans-150.2141.6-179.2-168.335.7000110.8Y171 R204Y171-N207 VanDerWaalsContact CE1-OD1 3.27Å; Y171-N207 WeakPolarHBondContact CE1-OD1 3.37Å; R204-N207 HydrophobicContact CB-CB 4.41Å
208A87.4Confident89.8Confident24 Ų2452 Ų5220%0.19825%0.247CC..  trans-153.5176.1-17900000111.1L214A208-L214 HydrophobicContact CB-CB 4.01Å
209K82.5Confident89.3Confident211 Ų21155.5 Ų55.592%0.91727%0.265SS*.SBendtrans-85-21.4178.5-66.1-177.3178.7179.70113.5
210D81.9Confident88.9Confident64 Ų6457 Ų5734%0.34227%0.271SS..SBendtrans-147.4164.2-171.164.292.6000109.8N212 S213 L214D210-N212 PolarHBondContact OD1-N 3.48Å; D210-S213 VanDerWaalsContact CG-OG 3.3Å; D210-S213 WeakPolarHBondContact OD1-CB 3.24Å; D210-S213 PolarHBondContact OD1-N 2.71Å; D210-S213 PolarHBondContact OD1-OG 3.36Å; D210-S213 WeakPolarHBondContact OD2-CB 3.28Å; D210-S213 PolarHBondContact OD2-OG 3.2Å; D210-L214 PolarHBondContact O-N 2.67Å; D210-L214 VanDerWaalsContact O-N 3.15Å
211M80.3Confident88.4Confident66 Ų6657.9 Ų57.933%0.32528%0.281SS..Hα-helixtrans-62.3-45.1-176.4-177.656174.100112.4P170 F178 S213 L214 V215P170-M211 WeakPolarHBondContact CD-SD 3.48Å; P170-M211 HydrophobicContact CG-CE 3.69Å; P170-M211 HydrophobicContact CG-SD 3.98Å; F178-M211 HydrophobicContact CE1-CE 3.63Å; F178-M211 HydrophobicContact CZ-CE 4.22Å; M211-S213 PolarHBondContact O-N 3.02Å; M211-L214 WeakPolarHBondContact O-CA 3.47Å; M211-L214 WeakPolarHBondContact O-CB 3.31Å; M211-L214 PolarHBondContact O-N 3.04Å; M211-V215 HydrophobicContact CE-CG2 3.85Å; M211-V215 HydrophobicContact CG-CG2 4.42Å; M211-V215 WeakPolarHBondContact O-CG2 3.29Å; M211-V215 PolarHBondContact O-N 2.93Å; M211-V215 HydrophobicContact SD-CG2 4.19Å
212N80.3Confident88Confident51 Ų5164.4 Ų64.427%0.27331%0.309SS..Hα-helixtrans-67.3-40.6-173.9-61-39.2000111.6D210 L214 V215 Y216 I729 M793D210-N212 PolarHBondContact OD1-N 3.48Å; N212-L214 VanDerWaalsContact C-N 3.32Å; N212-L214 PolarHBondContact O-N 3.38Å; N212-V215 PolarHBondContact O-N 2.93Å; N212-Y216 WeakPolarHBondContact O-CB 3.48Å; N212-Y216 PolarHBondContact O-N 3.31Å; N212-I729 HydrophobicContact CB-CD1 4.25Å; N212-M793 HydrophobicContact CB-CE 4.28Å; N212-M793 VanDerWaalsContact CG-CE 3.42Å; N212-M793 WeakPolarHBondContact ND2-CE 3.4Å; N212-M793 PolarHBondContact ND2-SD 2.98Å; N212-M793 WeakPolarHBondContact OD1-CE 3.45Å
213S86.8Confident87.7Confident49 Ų4964.5 Ų64.534%0.34331%0.309SS..Hα-helixtrans-65.4-30.8170.8-64.90000112.9D210 M211 R217D210-S213 VanDerWaalsContact CG-OG 3.3Å; D210-S213 WeakPolarHBondContact OD1-CB 3.24Å; D210-S213 PolarHBondContact OD1-N 2.71Å; D210-S213 PolarHBondContact OD1-OG 3.36Å; D210-S213 WeakPolarHBondContact OD2-CB 3.28Å; D210-S213 PolarHBondContact OD2-OG 3.2Å; M211-S213 PolarHBondContact O-N 3.02Å; S213-R217 WeakPolarHBondContact O-CG 3.49Å; S213-R217 PolarHBondContact O-N 3.43Å; S213-R217 VanDerWaalsContact O-N 3.1Å
214L87Confident87.5Confident0 Ų060.7 Ų60.70%030%0.3CS..Hα-helixtrans-71.2-48.5173.1176.962.4000111.1T169 Y171 F206 A208 D210 M211 N212 Y216 R217 I218T169-L214 HydrophobicContact CG2-CB 4.41Å; T169-L214 HydrophobicContact CG2-CD2 3.4Å; T169-L214 VanDerWaalsContact CG2-CD2 3.4Å; T169-L214 HydrophobicContact CG2-CG 4.5Å; Y171-L214 HydrophobicContact CD1-CD1 4.19Å; Y171-L214 HydrophobicContact CD1-CD2 3.79Å; Y171-L214 HydrophobicContact CE1-CD2 4.12Å; Y171-L214 HydrophobicContact CG-CD2 4.43Å; F206-L214 HydrophobicContact CB-CD1 3.57Å; A208-L214 HydrophobicContact CB-CB 4.01Å; D210-L214 PolarHBondContact O-N 2.67Å; D210-L214 VanDerWaalsContact O-N 3.15Å; M211-L214 WeakPolarHBondContact O-CA 3.47Å; M211-L214 WeakPolarHBondContact O-CB 3.31Å; M211-L214 PolarHBondContact O-N 3.04Å; N212-L214 VanDerWaalsContact C-N 3.32Å; N212-L214 PolarHBondContact O-N 3.38Å; L214-Y216 VanDerWaalsContact C-N 3.26Å; L214-Y216 PolarHBondContact O-N 2.94Å; L214-R217 WeakPolarHBondContact O-CA 3.37Å; L214-R217 WeakPolarHBondContact O-CB 3.33Å; L214-R217 PolarHBondContact O-N 3.07Å; L214-I218 HydrophobicContact CD1-CD1 3.95Å; L214-I218 HydrophobicContact CD1-CG1 4.14Å; L214-I218 HydrophobicContact CD2-CD1 4.26Å; L214-I218 HydrophobicContact CG-CD1 3.77Å; L214-I218 HydrophobicContact CG-CG1 4.37Å; L214-I218 WeakPolarHBondContact O-CG1 3.45Å; L214-I218 PolarHBondContact O-N 3.38Å
215V85.4Confident87.3Confident27 Ų2761.9 Ų61.916%0.16433%0.325CS..Hα-helixtrans-56-44.3175.9173.40000110F178 M211 N212 R217 I218 I219F178-V215 HydrophobicContact CB-CG1 4.02Å; F178-V215 HydrophobicContact CD1-CG1 4.22Å; F178-V215 HydrophobicContact CD1-CG2 3.71Å; F178-V215 HydrophobicContact CD2-CG1 4.26Å; F178-V215 HydrophobicContact CD2-CG2 4.39Å; F178-V215 HydrophobicContact CE1-CG2 3.65Å; F178-V215 HydrophobicContact CE2-CG2 4.33Å; F178-V215 HydrophobicContact CG-CG1 3.88Å; F178-V215 HydrophobicContact CG-CG2 4.1Å; F178-V215 HydrophobicContact CZ-CG2 3.96Å; M211-V215 HydrophobicContact CE-CG2 3.85Å; M211-V215 HydrophobicContact CG-CG2 4.42Å; M211-V215 WeakPolarHBondContact O-CG2 3.29Å; M211-V215 PolarHBondContact O-N 2.93Å; M211-V215 HydrophobicContact SD-CG2 4.19Å; N212-V215 PolarHBondContact O-N 2.93Å; V215-R217 PolarHBondContact O-N 3.07Å; V215-I218 PolarHBondContact O-N 3.49Å; V215-I219 HydrophobicContact CG1-CD1 3.67Å; V215-I219 HydrophobicContact CG1-CG1 4.39Å; V215-I219 WeakPolarHBondContact O-CB 3.33Å; V215-I219 WeakPolarHBondContact O-CG1 3.41Å; V215-I219 PolarHBondContact O-N 3.13Å
216Y86.9Confident87.3Confident104 Ų10463.5 Ų63.541%0.40833%0.332SS..Hα-helixtrans-57.6-44.1172.7-177.7-96.2000112.6N212 L214 E220N212-Y216 WeakPolarHBondContact O-CB 3.48Å; N212-Y216 PolarHBondContact O-N 3.31Å; L214-Y216 VanDerWaalsContact C-N 3.26Å; L214-Y216 PolarHBondContact O-N 2.94Å; Y216-E220 HydrophobicContact CE1-CB 4.35Å; Y216-E220 WeakPolarHBondContact O-CB 3.46Å; Y216-E220 PolarHBondContact O-N 3.4Å
217R89.1Confident87.3Confident118 Ų11864.8 Ų64.845%0.44534%0.341SS..Hα-helixtrans-65.6-37.7177-75.1-60.8-164.8-167.84.2113.2F206 S213 L214 V215 E220 G221F206-R217 HydrophobicContact CB-CB 4.43Å; F206-R217 HydrophobicContact CD1-CB 4.32Å; F206-R217 WeakPolarHBondContact CD1-O 3.32Å; S213-R217 WeakPolarHBondContact O-CG 3.49Å; S213-R217 PolarHBondContact O-N 3.43Å; S213-R217 VanDerWaalsContact O-N 3.1Å; L214-R217 WeakPolarHBondContact O-CA 3.37Å; L214-R217 WeakPolarHBondContact O-CB 3.33Å; L214-R217 PolarHBondContact O-N 3.07Å; V215-R217 PolarHBondContact O-N 3.07Å; R217-E220 WeakPolarHBondContact CD-OE2 3.45Å; R217-E220 IonicContact CZ-OE2 2.71Å; R217-E220 IonicContact NE-OE2 2.6Å; R217-E220 IonicContact NH1-OE1 3.97Å; R217-E220 IonicContact NH1-OE2 3.35Å; R217-E220 PolarHBondContact NH1-OE2 3.09Å; R217-G221 PolarHBondContact O-N 3.47Å
218I89.5Confident87.5Confident0 Ų072.2 Ų72.20%036%0.362CS..Hα-helixtrans-66.8-46177.4-71170.1000110.4P175 F178 W190 F206 L214 V215 G221P175-I218 HydrophobicContact CB-CG2 4.17Å; P175-I218 HydrophobicContact CG-CG2 3.69Å; F178-I218 HydrophobicContact CD2-CG2 4.18Å; F178-I218 HydrophobicContact CE2-CB 4.48Å; F178-I218 HydrophobicContact CE2-CD1 3.79Å; F178-I218 HydrophobicContact CE2-CG2 4.04Å; F178-I218 HydrophobicContact CZ-CD1 4.32Å; W190-I218 HydrophobicContact CH2-CG2 4.29Å; W190-I218 HydrophobicContact CZ2-CG2 3.83Å; F206-I218 HydrophobicContact CB-CG1 3.85Å; F206-I218 HydrophobicContact CD1-CG1 4.38Å; F206-I218 HydrophobicContact CD2-CG1 4.02Å; F206-I218 HydrophobicContact CG-CG1 3.8Å; L214-I218 HydrophobicContact CD1-CD1 3.95Å; L214-I218 HydrophobicContact CD1-CG1 4.14Å; L214-I218 HydrophobicContact CD2-CD1 4.26Å; L214-I218 HydrophobicContact CG-CD1 3.77Å; L214-I218 HydrophobicContact CG-CG1 4.37Å; L214-I218 WeakPolarHBondContact O-CG1 3.45Å; L214-I218 PolarHBondContact O-N 3.38Å; V215-I218 PolarHBondContact O-N 3.49Å; I218-G221 WeakPolarHBondContact O-CA 3.41Å; I218-G221 PolarHBondContact O-N 2.89Å
219I87.2Confident87.8Confident83 Ų8377.3 Ų77.343%0.42639%0.386SS..Hα-helixtrans-70.9-34.3176.9-63.8172.8000111.5F178 V215 G221 K244F178-I219 HydrophobicContact CB-CD1 4.42Å; V215-I219 HydrophobicContact CG1-CD1 3.67Å; V215-I219 HydrophobicContact CG1-CG1 4.39Å; V215-I219 WeakPolarHBondContact O-CB 3.33Å; V215-I219 WeakPolarHBondContact O-CG1 3.41Å; V215-I219 PolarHBondContact O-N 3.13Å; I219-G221 VanDerWaalsContact C-N 3.27Å; I219-G221 PolarHBondContact O-N 3.28Å; I219-K244 VanDerWaalsContact O-CE 3.24Å; I219-K244 WeakPolarHBondContact O-CE 3.02Å; I219-K244 PolarHBondContact O-NZ 3.22Å
220E89.3Confident88.4Confident31 Ų3168.2 Ų68.215%0.14535%0.346CS..Hα-helixtrans-63-35.1170.5-178.2177.8-146.100111Y216 R217 K222 K244Y216-E220 HydrophobicContact CE1-CB 4.35Å; Y216-E220 WeakPolarHBondContact O-CB 3.46Å; Y216-E220 PolarHBondContact O-N 3.4Å; R217-E220 WeakPolarHBondContact CD-OE2 3.45Å; R217-E220 IonicContact CZ-OE2 2.71Å; R217-E220 IonicContact NE-OE2 2.6Å; R217-E220 IonicContact NH1-OE1 3.97Å; R217-E220 IonicContact NH1-OE2 3.35Å; R217-E220 PolarHBondContact NH1-OE2 3.09Å; E220-K222 HydrophobicContact CG-CB 4.18Å; E220-K222 HydrophobicContact CG-CD 3.81Å; E220-K222 HydrophobicContact CG-CG 3.86Å; E220-K222 PolarHBondContact O-N 3.37Å; E220-K222 VanDerWaalsContact O-N 3.16Å; E220-K222 WeakPolarHBondContact OE1-CD 3.37Å; E220-K222 VanDerWaalsContact OE1-CE 3.32Å; E220-K222 WeakPolarHBondContact OE1-CE 3.41Å; E220-K222 IonicContact OE1-NZ 2.77Å; E220-K222 PolarHBondContact OE1-NZ 2.73Å; E220-K244 VanDerWaalsContact C-CE 3.48Å; E220-K244 VanDerWaalsContact C-NZ 3.33Å; E220-K244 WeakPolarHBondContact O-CE 3.35Å; E220-K244 PolarHBondContact O-NZ 2.88Å
221G85.6Confident89.1Confident20 Ų2066 Ų6621%0.20634%0.336CS..  trans63.813.7173.800000115R217 I218 I219 L223R217-G221 PolarHBondContact O-N 3.47Å; I218-G221 WeakPolarHBondContact O-CA 3.41Å; I218-G221 PolarHBondContact O-N 2.89Å; I219-G221 VanDerWaalsContact C-N 3.27Å; I219-G221 PolarHBondContact O-N 3.28Å; G221-L223 PolarHBondContact O-N 3.1Å; G221-L223 VanDerWaalsContact O-N 3.1Å
222K88.3Confident89.9Confident143 Ų14367.6 Ų67.662%0.62235%0.351SS*.  trans-79.891.5176-72.1176.9-160.8157.10109.6E220E220-K222 HydrophobicContact CG-CB 4.18Å; E220-K222 HydrophobicContact CG-CD 3.81Å; E220-K222 HydrophobicContact CG-CG 3.86Å; E220-K222 PolarHBondContact O-N 3.37Å; E220-K222 VanDerWaalsContact O-N 3.16Å; E220-K222 WeakPolarHBondContact OE1-CD 3.37Å; E220-K222 VanDerWaalsContact OE1-CE 3.32Å; E220-K222 WeakPolarHBondContact OE1-CE 3.41Å; E220-K222 IonicContact OE1-NZ 2.77Å; E220-K222 PolarHBondContact OE1-NZ 2.73Å
223L89.9Confident90.7Very high44 Ų4468.5 Ų68.523%0.2335%0.354CS..PPolyproline II helixtrans-60.1135.2170.4-165.966.2000110Y197 A205 F206 G221 I238 L242Y197-L223 HydrophobicContact CD2-CD1 3.68Å; Y197-L223 HydrophobicContact CD2-CD2 3.95Å; Y197-L223 HydrophobicContact CD2-CG 3.97Å; Y197-L223 HydrophobicContact CE2-CD1 3.71Å; Y197-L223 HydrophobicContact CE2-CD2 4.12Å; Y197-L223 HydrophobicContact CE2-CG 3.76Å; Y197-L223 HydrophobicContact CG-CD1 4.25Å; A205-L223 HydrophobicContact CB-CD1 3.71Å; F206-L223 HydrophobicContact CZ-CD1 4.36Å; G221-L223 PolarHBondContact O-N 3.1Å; G221-L223 VanDerWaalsContact O-N 3.1Å; L223-I238 HydrophobicContact CD2-CG2 4.04Å; L223-L242 HydrophobicContact CD1-CD1 3.62Å; L223-L242 HydrophobicContact CD2-CD1 4.13Å
224P89.4Confident91.2Very high66 Ų6666.1 Ų66.143%0.42934%0.337SS..PPolyproline II helixtrans-65.7153.3172.4-13.527.4000110.9Y197 A205 M226Y197-P224 WeakPolarHBondContact OH-CB 3.47Å; Y197-P224 WeakPolarHBondContact OH-CG 3.45Å; A205-P224 WeakPolarHBondContact O-CD 3.46Å; P224-M226 PolarHBondContact O-N 2.69Å
225A89.8Confident91.6Very high96 Ų9667.5 Ų67.579%0.79335%0.348SS*.PPolyproline II helixtrans-62.7134.8-175.800000112.5
226M94.3Very high92.2Very high36 Ų3670.4 Ų70.418%0.17736%0.36CS..PPolyproline II helixtrans-65.2149174.4-69.5-67.3-66.700111.6Y197 A200 T201 P224 Y230 A235 I238Y197-M226 HydrophobicContact CD2-SD 3.69Å; Y197-M226 HydrophobicContact CE2-SD 3.77Å; A200-M226 HydrophobicContact CB-CE 3.64Å; T201-M226 HydrophobicContact CG2-CE 4.44Å; T201-M226 HydrophobicContact CG2-SD 3.95Å; P224-M226 PolarHBondContact O-N 2.69Å; M226-Y230 HydrophobicContact CE-CD2 4.07Å; M226-Y230 HydrophobicContact CE-CG 4.48Å; M226-A235 HydrophobicContact CB-CB 4.3Å; M226-A235 HydrophobicContact CG-CB 3.95Å; M226-I238 HydrophobicContact CE-CD1 3.47Å; M226-I238 VanDerWaalsContact CE-CD1 3.47Å; M226-I238 HydrophobicContact SD-CD1 4.03Å
227P94.1Very high92.7Very high34 Ų3465.6 Ų65.622%0.22134%0.341CS..PPolyproline II helixtrans-56.7146.2167.6-24.535.3000111.8L102 T201 D229 Y230L102-P227 HydrophobicContact CD1-CB 3.6Å; L102-P227 HydrophobicContact CD1-CG 3.72Å; T201-P227 HydrophobicContact CG2-CG 4.37Å; P227-D229 PolarHBondContact O-N 3.37Å; P227-Y230 HydrophobicContact CB-CD2 3.91Å; P227-Y230 HydrophobicContact CB-CE2 3.97Å; P227-Y230 HydrophobicContact CG-CD2 4.15Å; P227-Y230 HydrophobicContact CG-CE2 3.92Å
228R92.3Very high93.1Very high249 Ų24960 Ų6094%0.9432%0.32SS*.THydrogen-bonded Turntrans-74.1-10.6-173.9-64.5-175.4179-168.7-0.5113.8Y230R228-Y230 VanDerWaalsContact C-N 3.26Å
229D93.1Very high93.5Very high131 Ų13165.9 Ų65.970%0.70134%0.343SS*.THydrogen-bonded Turntrans-78.2-12.6-177.8-42-91.7000112.4P227P227-D229 PolarHBondContact O-N 3.37Å
230Y96.4Very high93.9Very high20 Ų2063.2 Ų63.28%0.07833%0.33CS..SBendtrans-97.4148.8176.1-61.7-69.5000112.3L102 L103 E105 V108 A200 M226 P227 R228 L234L102-Y230 HydrophobicContact CD1-CE2 4.35Å; L103-Y230 PolarHBondContact O-OH 3.07Å; L103-Y230 VanDerWaalsContact O-OH 3.04Å; E105-Y230 HydrophobicContact CB-CD1 3.97Å; E105-Y230 HydrophobicContact CB-CE1 4.31Å; E105-Y230 HydrophobicContact CG-CD1 4.33Å; E105-Y230 WeakPolarHBondContact OE2-CA 3.32Å; V108-Y230 HydrophobicContact CG2-CE1 4.16Å; A200-Y230 WeakPolarHBondContact CA-OH 3.34Å; A200-Y230 HydrophobicContact CB-CD2 4.42Å; A200-Y230 HydrophobicContact CB-CE1 4.39Å; A200-Y230 HydrophobicContact CB-CE2 3.88Å; A200-Y230 WeakPolarHBondContact O-CE2 3.08Å; A200-Y230 VanDerWaalsContact O-CZ 3.27Å; A200-Y230 PolarHBondContact O-OH 2.86Å; M226-Y230 HydrophobicContact CE-CD2 4.07Å; M226-Y230 HydrophobicContact CE-CG 4.48Å; P227-Y230 HydrophobicContact CB-CD2 3.91Å; P227-Y230 HydrophobicContact CB-CE2 3.97Å; P227-Y230 HydrophobicContact CG-CD2 4.15Å; P227-Y230 HydrophobicContact CG-CE2 3.92Å; R228-Y230 VanDerWaalsContact C-N 3.26Å; Y230-L234 HydrophobicContact CD1-CD2 3.81Å; Y230-L234 HydrophobicContact CE1-CD2 4.49Å; Y230-L234 HydrophobicContact CG-CD2 4.3Å
231S96.6Very high94.4Very high19 Ų1961.8 Ų61.813%0.13332%0.323CS..  trans-61.8147.917659.20000112.7E105 E233 L234 A235 Y260E105-S231 PolarHBondContact OE1-OG 3.31Å; E105-S231 WeakPolarHBondContact OE2-CB 3.33Å; E105-S231 PolarHBondContact OE2-N 3.49Å; E105-S231 PolarHBondContact OE2-OG 2.83Å; S231-E233 PolarHBondContact O-N 2.81Å; S231-L234 PolarHBondContact O-N 3.49Å; S231-L234 WeakPolarHBondContact OG-CB 3.49Å; S231-L234 PolarHBondContact OG-N 2.88Å; S231-A235 PolarHBondContact O-N 3.17Å; S231-A235 VanDerWaalsContact O-N 3.15Å; S231-Y260 PolarHBondContact OG-OH 3.11Å
232P96.6Very high94.9Very high99 Ų9961.2 Ų61.264%0.64332%0.316SS*.Hα-helixtrans-62.2-30.517326.7-33.4000111.5A235 E236P232-A235 PolarHBondContact O-N 2.91Å; P232-E236 VanDerWaalsContact O-CB 3.23Å; P232-E236 WeakPolarHBondContact O-CB 3.44Å; P232-E236 PolarHBondContact O-N 3.02Å
233E96.8Very high95.3Very high69 Ų6955 Ų5532%0.32229%0.29SS..Hα-helixtrans-61.4-42.8174-60.3106.7111.500112.9S231 L237 Y260 R263S231-E233 PolarHBondContact O-N 2.81Å; E233-L237 WeakPolarHBondContact O-CB 3.47Å; E233-L237 PolarHBondContact O-N 3.13Å; E233-Y260 HydrophobicContact CB-CD1 4.31Å; E233-Y260 HydrophobicContact CB-CD2 3.31Å; E233-Y260 HydrophobicContact CB-CE2 3.77Å; E233-Y260 HydrophobicContact CB-CG 3.64Å; E233-Y260 HydrophobicContact CG-CD2 3.88Å; E233-Y260 HydrophobicContact CG-CG 4.37Å; E233-R263 IonicContact OE1-CZ 2.78Å; E233-R263 IonicContact OE1-NH1 3.55Å; E233-R263 PolarHBondContact OE1-NH1 3.44Å; E233-R263 IonicContact OE1-NH2 2.91Å; E233-R263 PolarHBondContact OE1-NH2 3.36Å
234L97.1Very high95.4Very high0 Ų057.6 Ų57.60%030%0.3CS..Hα-helixtrans-68-43.2176.2179.957.3000111.7E105 V108 V109 V196 Y230 S231 E236 L237 I238 Y260E105-L234 HydrophobicContact CG-CD2 3.96Å; V108-L234 HydrophobicContact CG1-CD2 4.31Å; V109-L234 HydrophobicContact CG2-CD1 4.41Å; V196-L234 HydrophobicContact CG1-CD1 4.2Å; Y230-L234 HydrophobicContact CD1-CD2 3.81Å; Y230-L234 HydrophobicContact CE1-CD2 4.49Å; Y230-L234 HydrophobicContact CG-CD2 4.3Å; S231-L234 PolarHBondContact O-N 3.49Å; S231-L234 WeakPolarHBondContact OG-CB 3.49Å; S231-L234 PolarHBondContact OG-N 2.88Å; L234-E236 VanDerWaalsContact C-N 3.32Å; L234-E236 PolarHBondContact O-N 3.03Å; L234-L237 PolarHBondContact O-N 3.26Å; L234-I238 HydrophobicContact CD1-CD1 4.05Å; L234-I238 HydrophobicContact CD1-CG1 4.26Å; L234-I238 HydrophobicContact CG-CD1 3.97Å; L234-I238 VanDerWaalsContact O-CG1 3.32Å; L234-I238 WeakPolarHBondContact O-CG1 3.44Å; L234-I238 PolarHBondContact O-N 3.14Å; L234-Y260 HydrophobicContact CB-CE1 4.32Å
235A97Very high95.6Very high28 Ų2860.9 Ų60.923%0.23130%0.304CS..Hα-helixtrans-60.9-41.9177.900000111.9M226 S231 P232 I238 R239M226-A235 HydrophobicContact CB-CB 4.3Å; M226-A235 HydrophobicContact CG-CB 3.95Å; S231-A235 PolarHBondContact O-N 3.17Å; S231-A235 VanDerWaalsContact O-N 3.15Å; P232-A235 PolarHBondContact O-N 2.91Å; A235-I238 PolarHBondContact O-N 3.16Å; A235-R239 WeakPolarHBondContact O-CB 3.47Å; A235-R239 PolarHBondContact O-N 3.1Å
236E96.8Very high95.8Very high89 Ų8957.6 Ų57.642%0.41627%0.274SS..Hα-helixtrans-68.5-37.8177.2179.559.2-167.800112.5P232 L234 R239 T240P232-E236 VanDerWaalsContact O-CB 3.23Å; P232-E236 WeakPolarHBondContact O-CB 3.44Å; P232-E236 PolarHBondContact O-N 3.02Å; L234-E236 VanDerWaalsContact C-N 3.32Å; L234-E236 PolarHBondContact O-N 3.03Å; E236-R239 PolarHBondContact O-N 3.47Å; E236-R239 IonicContact OE1-CZ 3.41Å; E236-R239 IonicContact OE1-NE 3.2Å; E236-R239 IonicContact OE1-NH2 2.7Å; E236-R239 PolarHBondContact OE1-NH2 3.27Å; E236-R239 IonicContact OE2-CZ 2.67Å; E236-R239 IonicContact OE2-NE 2.8Å; E236-R239 PolarHBondContact OE2-NE 2.98Å; E236-R239 IonicContact OE2-NH2 3.76Å; E236-R239 PolarHBondContact OE2-NH2 2.75Å; E236-T240 WeakPolarHBondContact O-CG2 3.46Å; E236-T240 PolarHBondContact O-N 3.03Å; E236-T240 PolarHBondContact O-OG1 2.98Å
237L97.3Very high95.8Very high2 Ų261.1 Ų61.11%0.0129%0.29CS..Hα-helixtrans-65.8-41.3174.6-18049.4000112.1F112 E233 L234 T240 M241 I255 Y260 I261F112-L237 HydrophobicContact CE1-CD2 3.64Å; F112-L237 HydrophobicContact CE1-CG 4.42Å; F112-L237 HydrophobicContact CZ-CD2 3.97Å; F112-L237 HydrophobicContact CZ-CG 4.3Å; E233-L237 WeakPolarHBondContact O-CB 3.47Å; E233-L237 PolarHBondContact O-N 3.13Å; L234-L237 PolarHBondContact O-N 3.26Å; L237-T240 WeakPolarHBondContact CA-OG1 3.24Å; L237-T240 PolarHBondContact O-N 2.95Å; L237-T240 PolarHBondContact O-OG1 2.92Å; L237-T240 VanDerWaalsContact O-OG1 3.13Å; L237-M241 HydrophobicContact CD1-CG 4.44Å; L237-M241 HydrophobicContact CG-CE 4.24Å; L237-M241 WeakPolarHBondContact O-CG 3.34Å; L237-M241 PolarHBondContact O-N 2.86Å; L237-M241 VanDerWaalsContact O-N 3.09Å; L237-I255 HydrophobicContact CD1-CG1 4.21Å; L237-I255 HydrophobicContact CD1-CG2 4.36Å; L237-Y260 HydrophobicContact CD2-CD1 4.47Å; L237-I261 HydrophobicContact CD2-CD1 3.75Å; L237-I261 HydrophobicContact CD2-CG1 3.82Å
238I97.9Very high95.9Very high0 Ų064.2 Ų64.20%030%0.302CS..Hα-helixtrans-63.3-44.5172.5-65163.2000110.4V196 Y197 L223 M226 L234 A235 T240 M241 L242V196-I238 HydrophobicContact CB-CG1 4.18Å; V196-I238 HydrophobicContact CG1-CD1 3.82Å; V196-I238 HydrophobicContact CG1-CG1 3.66Å; Y197-I238 HydrophobicContact CD2-CG2 4.14Å; L223-I238 HydrophobicContact CD2-CG2 4.04Å; M226-I238 HydrophobicContact CE-CD1 3.47Å; M226-I238 VanDerWaalsContact CE-CD1 3.47Å; M226-I238 HydrophobicContact SD-CD1 4.03Å; L234-I238 HydrophobicContact CD1-CD1 4.05Å; L234-I238 HydrophobicContact CD1-CG1 4.26Å; L234-I238 HydrophobicContact CG-CD1 3.97Å; L234-I238 VanDerWaalsContact O-CG1 3.32Å; L234-I238 WeakPolarHBondContact O-CG1 3.44Å; L234-I238 PolarHBondContact O-N 3.14Å; A235-I238 PolarHBondContact O-N 3.16Å; I238-T240 PolarHBondContact O-N 3.31Å; I238-M241 HydrophobicContact CG1-CE 4.47Å; I238-M241 PolarHBondContact O-N 3.23Å; I238-L242 HydrophobicContact CG2-CD1 4.05Å; I238-L242 WeakPolarHBondContact O-CB 3.48Å; I238-L242 WeakPolarHBondContact O-CG 3.5Å; I238-L242 PolarHBondContact O-N 3.46Å
239R96.9Very high96.1Very high125 Ų12552.5 Ų52.547%0.47226%0.257SS..Hα-helixtrans-60.1-41.7179-167.6-164.467.872.6-2.5112.4A235 E236 L242 S243A235-R239 WeakPolarHBondContact O-CB 3.47Å; A235-R239 PolarHBondContact O-N 3.1Å; E236-R239 PolarHBondContact O-N 3.47Å; E236-R239 IonicContact OE1-CZ 3.41Å; E236-R239 IonicContact OE1-NE 3.2Å; E236-R239 IonicContact OE1-NH2 2.7Å; E236-R239 PolarHBondContact OE1-NH2 3.27Å; E236-R239 IonicContact OE2-CZ 2.67Å; E236-R239 IonicContact OE2-NE 2.8Å; E236-R239 PolarHBondContact OE2-NE 2.98Å; E236-R239 IonicContact OE2-NH2 3.76Å; E236-R239 PolarHBondContact OE2-NH2 2.75Å; R239-L242 CarbonylContact O-C 3.4Å; R239-L242 VanDerWaalsContact O-C 3.28Å; R239-L242 PolarHBondContact O-N 2.78Å; R239-S243 PolarHBondContact O-N 2.69Å; R239-S243 VanDerWaalsContact O-N 3.17Å
240T97.1Very high96.4Very high27 Ų2747.2 Ų47.217%0.16623%0.231CC..Hα-helixtrans-76-31.2-179.348.90000113.3E236 L237 I238 L242 S243 R249 P250E236-T240 WeakPolarHBondContact O-CG2 3.46Å; E236-T240 PolarHBondContact O-N 3.03Å; E236-T240 PolarHBondContact O-OG1 2.98Å; L237-T240 WeakPolarHBondContact CA-OG1 3.24Å; L237-T240 PolarHBondContact O-N 2.95Å; L237-T240 PolarHBondContact O-OG1 2.92Å; L237-T240 VanDerWaalsContact O-OG1 3.13Å; I238-T240 PolarHBondContact O-N 3.31Å; T240-L242 VanDerWaalsContact C-N 3.26Å; T240-L242 PolarHBondContact O-N 2.74Å; T240-S243 PolarHBondContact O-N 2.74Å; T240-S243 PolarHBondContact O-OG 3.32Å; T240-S243 VanDerWaalsContact O-OG 3.11Å; T240-R249 WeakPolarHBondContact O-CA 3.36Å; T240-P250 WeakPolarHBondContact O-CD 3.4Å
241M98.1Very high96.4Very high0 Ų049.1 Ų49.10%025%0.246CC..Hα-helixtrans-65.4-31166.8-70.9-171.6-70.800112.4F112 V189 L192 V196 L237 I238 R249 P250 I255F112-M241 HydrophobicContact CE2-CE 3.81Å; F112-M241 HydrophobicContact CE2-SD 3.84Å; F112-M241 HydrophobicContact CZ-CE 3.9Å; F112-M241 HydrophobicContact CZ-SD 4.03Å; V189-M241 HydrophobicContact CG1-CB 4.08Å; V189-M241 HydrophobicContact CG1-CG 3.88Å; L192-M241 HydrophobicContact CD2-SD 3.89Å; L192-M241 HydrophobicContact CG-SD 3.95Å; V196-M241 HydrophobicContact CB-CE 4.33Å; V196-M241 HydrophobicContact CG2-CE 4.11Å; L237-M241 HydrophobicContact CD1-CG 4.44Å; L237-M241 HydrophobicContact CG-CE 4.24Å; L237-M241 WeakPolarHBondContact O-CG 3.34Å; L237-M241 PolarHBondContact O-N 2.86Å; L237-M241 VanDerWaalsContact O-N 3.09Å; I238-M241 HydrophobicContact CG1-CE 4.47Å; I238-M241 PolarHBondContact O-N 3.23Å; M241-R249 WeakPolarHBondContact O-CD 3.42Å; M241-R249 WeakPolarHBondContact O-CG 3.49Å; M241-P250 HydrophobicContact CG-CG 4.48Å; M241-I255 HydrophobicContact CG-CD1 3.85Å; M241-I255 HydrophobicContact SD-CD1 3.7Å
242L97.4Very high96.4Very high9 Ų948.3 Ų48.35%0.04724%0.241CC..THydrogen-bonded Turntrans-97.323.3178.2-62.3178.8000113.6W190 A205 F206 L223 I238 R239 T240W190-L242 HydrophobicContact CD2-CD2 3.67Å; W190-L242 HydrophobicContact CE3-CB 4.4Å; W190-L242 HydrophobicContact CE3-CD2 3.88Å; W190-L242 HydrophobicContact CG-CD2 4.04Å; W190-L242 HydrophobicContact CZ2-CD2 4.37Å; W190-L242 HydrophobicContact CZ3-CB 4.3Å; W190-L242 HydrophobicContact CZ3-CD2 4.34Å; W190-L242 VanDerWaalsContact CZ3-O 3.24Å; W190-L242 WeakPolarHBondContact CZ3-O 3.44Å; W190-L242 WeakPolarHBondContact O-CD2 3.43Å; A205-L242 HydrophobicContact CB-CD1 4.08Å; F206-L242 HydrophobicContact CE2-CD1 4.45Å; F206-L242 HydrophobicContact CE2-CD2 4.42Å; L223-L242 HydrophobicContact CD1-CD1 3.62Å; L223-L242 HydrophobicContact CD2-CD1 4.13Å; I238-L242 HydrophobicContact CG2-CD1 4.05Å; I238-L242 WeakPolarHBondContact O-CB 3.48Å; I238-L242 WeakPolarHBondContact O-CG 3.5Å; I238-L242 PolarHBondContact O-N 3.46Å; R239-L242 CarbonylContact O-C 3.4Å; R239-L242 VanDerWaalsContact O-C 3.28Å; R239-L242 PolarHBondContact O-N 2.78Å; T240-L242 VanDerWaalsContact C-N 3.26Å; T240-L242 PolarHBondContact O-N 2.74Å
243S96.3Very high96.4Very high13 Ų1347.3 Ų47.39%0.09122%0.224CC..  trans-61.6137.1167.6-65.20000110.7R239 T240 R245 R249R239-S243 PolarHBondContact O-N 2.69Å; R239-S243 VanDerWaalsContact O-N 3.17Å; T240-S243 PolarHBondContact O-N 2.74Å; T240-S243 PolarHBondContact O-OG 3.32Å; T240-S243 VanDerWaalsContact O-OG 3.11Å; S243-R245 PolarHBondContact O-N 2.93Å; S243-R249 PolarHBondContact O-NE 3.22Å; S243-R249 PolarHBondContact O-NH2 3.39Å
244K92.9Very high96.4Very high98 Ų9846.6 Ų46.643%0.42623%0.227SC..SBendtrans-58.7-47.6-177.6-63.6-172.3-174.4-166.60111.8I219 E220 R249I219-K244 VanDerWaalsContact O-CE 3.24Å; I219-K244 WeakPolarHBondContact O-CE 3.02Å; I219-K244 PolarHBondContact O-NZ 3.22Å; E220-K244 VanDerWaalsContact C-CE 3.48Å; E220-K244 VanDerWaalsContact C-NZ 3.33Å; E220-K244 WeakPolarHBondContact O-CE 3.35Å; E220-K244 PolarHBondContact O-NZ 2.88Å; K244-R249 PolarHBondContact O-NH2 2.89Å
245R92.3Very high96.4Very high135 Ų13546.6 Ų46.651%0.50923%0.227SC..SBendtrans-78.6122.1-176.7-69178.762.2-169.99.4109.8S243 E247 E248S243-R245 PolarHBondContact O-N 2.93Å; R245-E247 HydrophobicContact CB-CG 4.1Å; R245-E247 IonicContact CZ-OE1 2.73Å; R245-E247 IonicContact NE-OE1 3.7Å; R245-E247 PolarHBondContact NE-OE1 2.89Å; R245-E247 IonicContact NH2-OE1 3.66Å; R245-E247 PolarHBondContact NH2-OE1 3.39Å; R245-E247 PolarHBondContact O-N 3.35Å; R245-E248 HydrophobicContact CB-CB 4.32Å; R245-E248 HydrophobicContact CB-CG 3.88Å; R245-E248 WeakPolarHBondContact CD-OE1 3.15Å; R245-E248 IonicContact NE-OE1 3.37Å; R245-E248 IonicContact NH1-OE1 2.67Å; R245-E248 PolarHBondContact O-N 2.86Å; R245-E248 VanDerWaalsContact O-N 3.08Å
246P93.7Very high96.3Very high27 Ų2745.3 Ų45.318%0.17522%0.216CC..G310 helixtrans-52.8-37179-29.336.6000113.6E176 K186 E248 R249E176-P246 HydrophobicContact CB-CG 4.04Å; E176-P246 HydrophobicContact CG-CG 4.03Å; K186-P246 HydrophobicContact CB-CB 3.88Å; K186-P246 WeakPolarHBondContact CB-O 3.28Å; K186-P246 WeakPolarHBondContact CD-O 3.39Å; K186-P246 HydrophobicContact CG-CB 4.33Å; K186-P246 WeakPolarHBondContact CG-O 3.42Å; K186-P246 PolarHBondContact NZ-O 3.23Å; P246-E248 VanDerWaalsContact C-N 3.34Å; P246-E248 PolarHBondContact O-N 3.22Å; P246-R249 PolarHBondContact O-N 3.07Å
247E94.5Very high96.2Very high110 Ų11044.3 Ų44.351%0.51421%0.209SC..G310 helixtrans-59.3-38.9177.457-89.3-143.800113K186 R245 R249K186-E247 PolarHBondContact NZ-O 3.32Å; R245-E247 HydrophobicContact CB-CG 4.1Å; R245-E247 IonicContact CZ-OE1 2.73Å; R245-E247 IonicContact NE-OE1 3.7Å; R245-E247 PolarHBondContact NE-OE1 2.89Å; R245-E247 IonicContact NH2-OE1 3.66Å; R245-E247 PolarHBondContact NH2-OE1 3.39Å; R245-E247 PolarHBondContact O-N 3.35Å; E247-R249 VanDerWaalsContact C-N 3.31Å; E247-R249 PolarHBondContact O-N 3.43Å
248E96.1Very high96.1Very high99 Ų9946.7 Ų46.746%0.46322%0.22SC..G310 helixtrans-73.1-17.9-179.5-66.7172.8170.600113.8R245 P246R245-E248 HydrophobicContact CB-CB 4.32Å; R245-E248 HydrophobicContact CB-CG 3.88Å; R245-E248 WeakPolarHBondContact CD-OE1 3.15Å; R245-E248 IonicContact NE-OE1 3.37Å; R245-E248 IonicContact NH1-OE1 2.67Å; R245-E248 PolarHBondContact O-N 2.86Å; R245-E248 VanDerWaalsContact O-N 3.08Å; P246-E248 VanDerWaalsContact C-N 3.34Å; P246-E248 PolarHBondContact O-N 3.22Å
249R97.9Very high96Very high2 Ų251.9 Ų51.91%0.00825%0.253CS..SBendtrans-74.5132.8178.7-56.4175.9-159.1146.711.5109.9E176 K186 V189 T240 M241 S243 K244 P246 E247E176-R249 IonicContact OE1-CZ 3.43Å; E176-R249 IonicContact OE1-NH1 2.71Å; E176-R249 PolarHBondContact OE1-NH1 3.22Å; E176-R249 IonicContact OE1-NH2 3.37Å; E176-R249 IonicContact OE2-CZ 3.62Å; E176-R249 IonicContact OE2-NH1 2.71Å; E176-R249 PolarHBondContact OE2-NH1 3.33Å; E176-R249 IonicContact OE2-NH2 3.55Å; E176-R249 PolarHBondContact OE2-NH2 2.9Å; K186-R249 HydrophobicContact CD-CB 4.37Å; K186-R249 VanDerWaalsContact CE-O 3.28Å; K186-R249 WeakPolarHBondContact CE-O 3.32Å; K186-R249 PolarHBondContact NZ-O 2.78Å; K186-R249 VanDerWaalsContact O-CD 3.29Å; K186-R249 WeakPolarHBondContact O-CD 3.08Å; K186-R249 PolarHBondContact O-NH1 3.3Å; V189-R249 HydrophobicContact CG1-CB 4.02Å; T240-R249 WeakPolarHBondContact O-CA 3.36Å; M241-R249 WeakPolarHBondContact O-CD 3.42Å; M241-R249 WeakPolarHBondContact O-CG 3.49Å; S243-R249 PolarHBondContact O-NE 3.22Å; S243-R249 PolarHBondContact O-NH2 3.39Å; K244-R249 PolarHBondContact O-NH2 2.89Å; P246-R249 PolarHBondContact O-N 3.07Å; E247-R249 VanDerWaalsContact C-N 3.31Å; E247-R249 PolarHBondContact O-N 3.43Å
250P97.8Very high95.9Very high21 Ų2146.5 Ų46.514%0.13623%0.233CC..PPolyproline II helixtrans-64.7152.7177.227.2-34000111.5T240 M241 I255T240-P250 WeakPolarHBondContact O-CD 3.4Å; M241-P250 HydrophobicContact CG-CG 4.48Å; P250-I255 HydrophobicContact CB-CG1 3.95Å; P250-I255 HydrophobicContact CG-CD1 4.07Å; P250-I255 HydrophobicContact CG-CG1 3.68Å
251S97.6Very high95.8Very high59 Ų5945.2 Ų45.241%0.41323%0.225SC..PPolyproline II helixtrans-72.6155.3168.966.40000110.6R253 S254 I255S251-R253 PolarHBondContact O-N 3.22Å; S251-S254 WeakPolarHBondContact O-CA 3.45Å; S251-S254 WeakPolarHBondContact O-CB 3.37Å; S251-S254 PolarHBondContact O-N 2.92Å; S251-S254 WeakPolarHBondContact OG-CB 3.45Å; S251-S254 PolarHBondContact OG-N 3.38Å; S251-I255 WeakPolarHBondContact O-CG1 3.39Å; S251-I255 PolarHBondContact O-N 3.44Å
252V97.3Very high95.6Very high3 Ų347.5 Ų47.52%0.01824%0.235CC..Hα-helixtrans-59.2-35.8-180-171.20000112A116 L119 Q120 V189 I255 L256A116-V252 HydrophobicContact CB-CG1 4.02Å; A116-V252 WeakPolarHBondContact O-CG1 3.38Å; L119-V252 HydrophobicContact CB-CG1 4.09Å; L119-V252 HydrophobicContact CB-CG2 4.13Å; Q120-V252 HydrophobicContact CB-CG1 4.11Å; V189-V252 HydrophobicContact CG2-CG2 3.77Å; V252-I255 WeakPolarHBondContact O-CB 3.45Å; V252-I255 PolarHBondContact O-N 3.29Å; V252-L256 HydrophobicContact CG1-CD1 4.29Å; V252-L256 WeakPolarHBondContact O-CG 3.42Å; V252-L256 PolarHBondContact O-N 3.06Å
253R95.6Very high95.4Very high77 Ų7752.4 Ų52.429%0.29125%0.253SS..Hα-helixtrans-64.3-37.7171.9-170.5176.3-178.8126.7-14112.9E124 S251 R257 E676E124-R253 IonicContact OE1-CZ 2.67Å; E124-R253 IonicContact OE1-NH1 2.62Å; E124-R253 PolarHBondContact OE1-NH1 2.88Å; S251-R253 PolarHBondContact O-N 3.22Å; R253-R257 WeakPolarHBondContact O-CB 3.49Å; R253-R257 WeakPolarHBondContact O-CG 3.4Å; R253-R257 PolarHBondContact O-N 3.1Å; R253-E676 IonicContact CZ-OE1 2.7Å; R253-E676 IonicContact CZ-OE2 2.67Å; R253-E676 IonicContact NH2-OE1 2.76Å; R253-E676 PolarHBondContact NH2-OE1 3.13Å; R253-E676 IonicContact NH2-OE2 3.2Å; R253-E676 PolarHBondContact NH2-OE2 3.05Å
254S96.3Very high95.2Very high54 Ų5453.1 Ų53.138%0.37826%0.255SS..Hα-helixtrans-67.9-44.4173.7176.90000111.6S251 L256 R257 Q258S251-S254 WeakPolarHBondContact O-CA 3.45Å; S251-S254 WeakPolarHBondContact O-CB 3.37Å; S251-S254 PolarHBondContact O-N 2.92Å; S251-S254 WeakPolarHBondContact OG-CB 3.45Å; S251-S254 PolarHBondContact OG-N 3.38Å; S254-L256 PolarHBondContact O-N 3.48Å; S254-R257 PolarHBondContact O-N 3.22Å; S254-R257 VanDerWaalsContact O-N 3.13Å; S254-Q258 WeakPolarHBondContact O-CG 3.35Å; S254-Q258 PolarHBondContact O-N 2.97Å
255I97.3Very high95.1Very high0 Ų048.5 Ų48.50%024%0.235CC..Hα-helixtrans-52.9-53174.3-69.6172.6000111.1F112 V189 L192 L237 M241 P250 S251 V252 R257 Q258F112-I255 HydrophobicContact CE1-CG2 3.93Å; F112-I255 HydrophobicContact CE2-CG2 4.32Å; F112-I255 HydrophobicContact CZ-CG2 3.4Å; F112-I255 VanDerWaalsContact CZ-CG2 3.4Å; V189-I255 HydrophobicContact CG1-CD1 4.27Å; L192-I255 HydrophobicContact CD2-CD1 4.33Å; L237-I255 HydrophobicContact CD1-CG1 4.21Å; L237-I255 HydrophobicContact CD1-CG2 4.36Å; M241-I255 HydrophobicContact CG-CD1 3.85Å; M241-I255 HydrophobicContact SD-CD1 3.7Å; P250-I255 HydrophobicContact CB-CG1 3.95Å; P250-I255 HydrophobicContact CG-CD1 4.07Å; P250-I255 HydrophobicContact CG-CG1 3.68Å; S251-I255 WeakPolarHBondContact O-CG1 3.39Å; S251-I255 PolarHBondContact O-N 3.44Å; V252-I255 WeakPolarHBondContact O-CB 3.45Å; V252-I255 PolarHBondContact O-N 3.29Å; I255-R257 PolarHBondContact O-N 3.43Å; I255-Q258 WeakPolarHBondContact O-CB 3.35Å; I255-Q258 WeakPolarHBondContact O-CG 3.47Å; I255-Q258 PolarHBondContact O-N 2.86Å; I255-Q258 VanDerWaalsContact O-N 3.15Å
256L95.9Very high95.1Very high1 Ų144.7 Ų44.71%0.00523%0.229CC..Hα-helixtrans-68.5-21.3-177.9-71.2168.5000113.2V113 A116 M117 Q120 V252 S254 I261 T669V113-L256 HydrophobicContact CG1-CD2 4.02Å; A116-L256 HydrophobicContact CB-CD1 4.18Å; A116-L256 HydrophobicContact CB-CD2 3.85Å; A116-L256 HydrophobicContact CB-CG 4.05Å; M117-L256 HydrophobicContact CG-CD1 4.18Å; M117-L256 HydrophobicContact CG-CD2 4.33Å; Q120-L256 HydrophobicContact CB-CD1 4.16Å; V252-L256 HydrophobicContact CG1-CD1 4.29Å; V252-L256 WeakPolarHBondContact O-CG 3.42Å; V252-L256 PolarHBondContact O-N 3.06Å; S254-L256 PolarHBondContact O-N 3.48Å; L256-I261 HydrophobicContact CD2-CG2 4.3Å; L256-T669 HydrophobicContact CB-CG2 4.08Å; L256-T669 HydrophobicContact CD1-CG2 4.43Å; L256-T669 HydrophobicContact CD2-CG2 4.19Å; L256-T669 HydrophobicContact CG-CG2 4.47Å
257R94.6Very high95Very high69 Ų6949.5 Ų49.526%0.2625%0.247SC..Hα-helixtrans-80.2-14.5173.8-80.2-178.2160.2160.30.8114.3R253 S254 I255 K262 L672 D673 E676R253-R257 WeakPolarHBondContact O-CB 3.49Å; R253-R257 WeakPolarHBondContact O-CG 3.4Å; R253-R257 PolarHBondContact O-N 3.1Å; S254-R257 PolarHBondContact O-N 3.22Å; S254-R257 VanDerWaalsContact O-N 3.13Å; I255-R257 PolarHBondContact O-N 3.43Å; R257-K262 WeakPolarHBondContact O-CE 3.4Å; R257-K262 PolarHBondContact O-NZ 3.02Å; R257-L672 PolarHBondContact NH2-O 3.17Å; R257-D673 WeakPolarHBondContact CD-OD1 3.36Å; R257-D673 WeakPolarHBondContact CG-OD1 3.43Å; R257-D673 IonicContact CZ-OD1 3.12Å; R257-D673 IonicContact NE-OD1 2.71Å; R257-D673 PolarHBondContact NE-OD1 3.37Å; R257-D673 IonicContact NE-OD2 3.41Å; R257-D673 IonicContact NH2-OD1 2.94Å; R257-E676 IonicContact CZ-OE2 3.17Å; R257-E676 IonicContact NH1-OE2 2.76Å; R257-E676 IonicContact NH2-OE2 3.83Å; R257-E676 PolarHBondContact NH2-OE2 3.15Å
258Q94.8Very high94.7Very high51 Ų5145.5 Ų45.524%0.23823%0.228CC..SBendtrans-61.2139.5-174.7-67.4-172.82.700112.6S254 I255 Y260 I261 K262S254-Q258 WeakPolarHBondContact O-CG 3.35Å; S254-Q258 PolarHBondContact O-N 2.97Å; I255-Q258 WeakPolarHBondContact O-CB 3.35Å; I255-Q258 WeakPolarHBondContact O-CG 3.47Å; I255-Q258 PolarHBondContact O-N 2.86Å; I255-Q258 VanDerWaalsContact O-N 3.15Å; Q258-Y260 VanDerWaalsContact C-N 3.27Å; Q258-Y260 PolarHBondContact O-N 3.48Å; Q258-I261 HydrophobicContact CB-CG1 4.43Å; Q258-I261 PolarHBondContact O-N 3.44Å; Q258-K262 PolarHBondContact O-N 3.05Å
259P94.6Very high94.4Very high109 Ų10941.5 Ų41.571%0.70821%0.21SC*.Hα-helixtrans-56.3-37.4-179.2-27.635.3000114R263P259-R263 VanDerWaalsContact O-CB 3.27Å; P259-R263 WeakPolarHBondContact O-CB 3.42Å; P259-R263 PolarHBondContact O-N 3.15Å
260Y95.2Very high94.1Very high12 Ų1245.6 Ų45.65%0.04723%0.229CC..Hα-helixtrans-58.1-48.7174.2172.7-101.6000111.8E105 V109 S231 E233 L234 L237 Q258 R263 Q264E105-Y260 PolarHBondContact OE1-OH 3.28Å; V109-Y260 HydrophobicContact CG2-CE1 4.06Å; V109-Y260 VanDerWaalsContact CG2-OH 3.31Å; V109-Y260 WeakPolarHBondContact CG2-OH 3.46Å; S231-Y260 PolarHBondContact OG-OH 3.11Å; E233-Y260 HydrophobicContact CB-CD1 4.31Å; E233-Y260 HydrophobicContact CB-CD2 3.31Å; E233-Y260 HydrophobicContact CB-CE2 3.77Å; E233-Y260 HydrophobicContact CB-CG 3.64Å; E233-Y260 HydrophobicContact CG-CD2 3.88Å; E233-Y260 HydrophobicContact CG-CG 4.37Å; L234-Y260 HydrophobicContact CB-CE1 4.32Å; L237-Y260 HydrophobicContact CD2-CD1 4.47Å; Q258-Y260 VanDerWaalsContact C-N 3.27Å; Q258-Y260 PolarHBondContact O-N 3.48Å; Y260-R263 WeakPolarHBondContact O-CB 3.28Å; Y260-R263 PolarHBondContact O-N 2.88Å; Y260-Q264 HydrophobicContact CE1-CG 4.31Å; Y260-Q264 HydrophobicContact CE2-CG 4.21Å; Y260-Q264 WeakPolarHBondContact O-CG 3.42Å; Y260-Q264 PolarHBondContact O-N 2.9Å; Y260-Q264 PolarHBondContact OH-NE2 3.03Å
261I95.4Very high93.6Very high0 Ų046.7 Ų46.70%024%0.24CC..Hα-helixtrans-69.5-42.5-178.8-64.4-57.8000111.6V109 F112 V113 L237 L256 Q258 R263 Q264 I265V109-I261 HydrophobicContact CG1-CD1 3.87Å; F112-I261 HydrophobicContact CD1-CD1 3.93Å; F112-I261 HydrophobicContact CE1-CD1 3.61Å; F112-I261 HydrophobicContact CE1-CG1 4.28Å; V113-I261 HydrophobicContact CG2-CD1 4.48Å; V113-I261 HydrophobicContact CG2-CG2 3.68Å; L237-I261 HydrophobicContact CD2-CD1 3.75Å; L237-I261 HydrophobicContact CD2-CG1 3.82Å; L256-I261 HydrophobicContact CD2-CG2 4.3Å; Q258-I261 HydrophobicContact CB-CG1 4.43Å; Q258-I261 PolarHBondContact O-N 3.44Å; I261-R263 VanDerWaalsContact C-N 3.31Å; I261-R263 PolarHBondContact O-N 3.17Å; I261-Q264 PolarHBondContact O-N 2.68Å; I261-I265 HydrophobicContact CG2-CD1 3.84Å; I261-I265 HydrophobicContact CG2-CG1 4.4Å; I261-I265 VanDerWaalsContact O-CG1 3.31Å; I261-I265 WeakPolarHBondContact O-CG1 3.34Å; I261-I265 PolarHBondContact O-N 3.48Å
262K93.6Very high93Very high49 Ų4944.5 Ų44.521%0.21322%0.224CC..Hα-helixtrans-58.3-42.2172.4-70.1-178.1177.5164.90112.4R257 Q258 I265 S266 L670 D673R257-K262 WeakPolarHBondContact O-CE 3.4Å; R257-K262 PolarHBondContact O-NZ 3.02Å; Q258-K262 PolarHBondContact O-N 3.05Å; K262-I265 PolarHBondContact O-N 3.46Å; K262-S266 PolarHBondContact O-N 3.25Å; K262-S266 PolarHBondContact O-OG 3.41Å; K262-L670 HydrophobicContact CB-CD2 3.8Å; K262-L670 HydrophobicContact CG-CD2 3.88Å; K262-D673 VanDerWaalsContact NZ-CG 3.28Å; K262-D673 IonicContact NZ-OD1 3.74Å; K262-D673 IonicContact NZ-OD2 3.51Å; K262-D673 PolarHBondContact NZ-OD2 3.17Å
263R93.6Very high92.5Very high112 Ų11249.9 Ų49.942%0.42325%0.247SC..Hα-helixtrans-59.8-46.3176.5-174.9176.873.3-159.54.1111.4E233 P259 Y260 I261 S266 F267E233-R263 IonicContact OE1-CZ 2.78Å; E233-R263 IonicContact OE1-NH1 3.55Å; E233-R263 PolarHBondContact OE1-NH1 3.44Å; E233-R263 IonicContact OE1-NH2 2.91Å; E233-R263 PolarHBondContact OE1-NH2 3.36Å; P259-R263 VanDerWaalsContact O-CB 3.27Å; P259-R263 WeakPolarHBondContact O-CB 3.42Å; P259-R263 PolarHBondContact O-N 3.15Å; Y260-R263 WeakPolarHBondContact O-CB 3.28Å; Y260-R263 PolarHBondContact O-N 2.88Å; I261-R263 VanDerWaalsContact C-N 3.31Å; I261-R263 PolarHBondContact O-N 3.17Å; R263-S266 PolarHBondContact O-N 2.93Å; R263-F267 HydrophobicContact CG-CD2 4.29Å; R263-F267 HydrophobicContact CG-CE2 3.65Å; R263-F267 HydrophobicContact CG-CZ 3.93Å; R263-F267 WeakPolarHBondContact O-CD2 3.4Å; R263-F267 WeakPolarHBondContact O-CG 3.45Å; R263-F267 PolarHBondContact O-N 3.1Å; R263-F267 VanDerWaalsContact O-N 3.08Å
264Q92.1Very high92Very high28 Ų2850 Ų5013%0.13125%0.253CS..Hα-helixtrans-67.6-38.6178.2-63.5-73.521.300112.5E105 V109 Y260 I261 F267 F268E105-Q264 PolarHBondContact OE1-NE2 2.99Å; V109-Q264 HydrophobicContact CB-CB 4.43Å; V109-Q264 HydrophobicContact CB-CG 4.46Å; V109-Q264 HydrophobicContact CG1-CB 3.63Å; V109-Q264 HydrophobicContact CG1-CG 3.93Å; V109-Q264 HydrophobicContact CG2-CG 4.44Å; Y260-Q264 HydrophobicContact CE1-CG 4.31Å; Y260-Q264 HydrophobicContact CE2-CG 4.21Å; Y260-Q264 WeakPolarHBondContact O-CG 3.42Å; Y260-Q264 PolarHBondContact O-N 2.9Å; Y260-Q264 PolarHBondContact OH-NE2 3.03Å; I261-Q264 PolarHBondContact O-N 2.68Å; Q264-F267 PolarHBondContact O-N 3.16Å; Q264-F268 PolarHBondContact O-N 3.2Å
265I91.4Very high91.3Very high1 Ų153.6 Ų53.61%0.00526%0.262CS..Hα-helixtrans-60.4-46.5172.6-68.9165.8000110.9V113 I261 K262 F267 F268 L269 M666 T669 L670V113-I265 HydrophobicContact CG1-CD1 3.92Å; V113-I265 HydrophobicContact CG1-CG1 3.97Å; V113-I265 HydrophobicContact CG2-CD1 4.46Å; V113-I265 HydrophobicContact CG2-CG1 4.28Å; I261-I265 HydrophobicContact CG2-CD1 3.84Å; I261-I265 HydrophobicContact CG2-CG1 4.4Å; I261-I265 VanDerWaalsContact O-CG1 3.31Å; I261-I265 WeakPolarHBondContact O-CG1 3.34Å; I261-I265 PolarHBondContact O-N 3.48Å; K262-I265 PolarHBondContact O-N 3.46Å; I265-F267 VanDerWaalsContact C-N 3.32Å; I265-F267 PolarHBondContact O-N 3.46Å; I265-F268 PolarHBondContact O-N 2.82Å; I265-L269 HydrophobicContact CG2-CD1 3.87Å; I265-L269 HydrophobicContact CG2-CG 4.31Å; I265-L269 WeakPolarHBondContact O-CG 3.37Å; I265-L269 PolarHBondContact O-N 2.8Å; I265-M666 HydrophobicContact CB-CE 4.4Å; I265-M666 HydrophobicContact CG1-CE 4Å; I265-M666 HydrophobicContact CG2-CB 3.95Å; I265-M666 HydrophobicContact CG2-CE 4.19Å; I265-T669 HydrophobicContact CD1-CG2 4.16Å; I265-L670 HydrophobicContact CB-CD2 4.01Å; I265-L670 HydrophobicContact CB-CG 4.39Å; I265-L670 HydrophobicContact CD1-CD2 4.47Å; I265-L670 HydrophobicContact CG2-CD1 3.92Å; I265-L670 HydrophobicContact CG2-CD2 3.84Å; I265-L670 HydrophobicContact CG2-CG 3.66Å
266S92.1Very high90.4Very high55 Ų5557 Ų5739%0.38528%0.282SS..Hα-helixtrans-59.6-40.1176.6-66.70000112.6K262 R263 L269 E270K262-S266 PolarHBondContact O-N 3.25Å; K262-S266 PolarHBondContact O-OG 3.41Å; R263-S266 PolarHBondContact O-N 2.93Å; S266-L269 PolarHBondContact O-N 2.7Å; S266-E270 PolarHBondContact O-N 2.85Å
267F91.1Very high89.3Confident128 Ų12860.1 Ų60.156%0.56131%0.305SS*.Hα-helixtrans-65-39.5174.6-67-35.5000112.9R263 Q264 I265 E270 A271R263-F267 HydrophobicContact CG-CD2 4.29Å; R263-F267 HydrophobicContact CG-CE2 3.65Å; R263-F267 HydrophobicContact CG-CZ 3.93Å; R263-F267 WeakPolarHBondContact O-CD2 3.4Å; R263-F267 WeakPolarHBondContact O-CG 3.45Å; R263-F267 PolarHBondContact O-N 3.1Å; R263-F267 VanDerWaalsContact O-N 3.08Å; Q264-F267 PolarHBondContact O-N 3.16Å; I265-F267 VanDerWaalsContact C-N 3.32Å; I265-F267 PolarHBondContact O-N 3.46Å; F267-E270 PolarHBondContact O-N 3.37Å; F267-A271 VanDerWaalsContact O-CB 3.29Å; F267-A271 WeakPolarHBondContact O-CB 3.44Å; F267-A271 PolarHBondContact O-N 3.46Å
268F88.9Confident88.1Confident26 Ų2663.2 Ų63.211%0.11432%0.32CS..Hα-helixtrans-62.1-45.2173.2174.3-91.5000112E110 Q264 I265 E270 A271 T272 L662 V663 M666E110-F268 VanDerWaalsContact CD-CE2 3.48Å; E110-F268 HydrophobicContact CG-CD2 3.77Å; E110-F268 HydrophobicContact CG-CE2 3.79Å; E110-F268 VanDerWaalsContact OE2-CD2 3.26Å; E110-F268 WeakPolarHBondContact OE2-CD2 3.32Å; E110-F268 WeakPolarHBondContact OE2-CE2 3.36Å; Q264-F268 PolarHBondContact O-N 3.2Å; I265-F268 PolarHBondContact O-N 2.82Å; F268-E270 VanDerWaalsContact C-N 3.33Å; F268-E270 PolarHBondContact O-N 2.69Å; F268-A271 PolarHBondContact O-N 3.16Å; F268-T272 HydrophobicContact CD1-CG2 4.32Å; F268-T272 HydrophobicContact CE1-CG2 3.84Å; F268-T272 HydrophobicContact CE2-CG2 4.07Å; F268-T272 HydrophobicContact CZ-CG2 3.7Å; F268-T272 WeakPolarHBondContact O-CG2 3.47Å; F268-T272 PolarHBondContact O-N 2.94Å; F268-T272 PolarHBondContact O-OG1 2.73Å; F268-L662 HydrophobicContact CE1-CD2 4.33Å; F268-L662 HydrophobicContact CE1-CG 4.33Å; F268-L662 HydrophobicContact CZ-CD2 3.85Å; F268-L662 HydrophobicContact CZ-CG 4.35Å; F268-V663 HydrophobicContact CE1-CG2 4.34Å; F268-M666 HydrophobicContact CB-CE 4.14Å; F268-M666 HydrophobicContact CD1-CE 3.61Å; F268-M666 HydrophobicContact CD1-SD 3.53Å; F268-M666 VanDerWaalsContact CD1-SD 3.53Å; F268-M666 HydrophobicContact CE1-CE 4.19Å; F268-M666 HydrophobicContact CE1-SD 3.5Å; F268-M666 VanDerWaalsContact CE1-SD 3.5Å; F268-M666 HydrophobicContact CG-CE 3.9Å; F268-M666 HydrophobicContact CG-SD 4.31Å; F268-M666 HydrophobicContact CZ-SD 4.26Å
269L90.1Very high86.5Confident14 Ų1465.3 Ų65.37%0.07333%0.333CS..Hα-helixtrans-63.1-37.4178.1-67.6171.7000111.8I265 S266 T272 K273 V663 M666 L670I265-L269 HydrophobicContact CG2-CD1 3.87Å; I265-L269 HydrophobicContact CG2-CG 4.31Å; I265-L269 WeakPolarHBondContact O-CG 3.37Å; I265-L269 PolarHBondContact O-N 2.8Å; S266-L269 PolarHBondContact O-N 2.7Å; L269-T272 WeakPolarHBondContact CA-OG1 3.18Å; L269-T272 PolarHBondContact O-OG1 3.3Å; L269-K273 WeakPolarHBondContact O-CG 3.33Å; L269-K273 PolarHBondContact O-N 3Å; L269-V663 HydrophobicContact CD2-CB 4.22Å; L269-V663 HydrophobicContact CD2-CG1 3.87Å; L269-V663 HydrophobicContact CD2-CG2 4.35Å; L269-V663 WeakPolarHBondContact CD2-O 3.45Å; L269-M666 HydrophobicContact CD2-CB 4.24Å; L269-L670 HydrophobicContact CD1-CD1 3.64Å
270E90.3Very high84.7Confident89 Ų8965.4 Ų65.442%0.41633%0.327SS..Hα-helixtrans-72.6-42.5175.6-157.857.1-135.700112.2S266 F267 F268 T272 K273 I274S266-E270 PolarHBondContact O-N 2.85Å; F267-E270 PolarHBondContact O-N 3.37Å; F268-E270 VanDerWaalsContact C-N 3.33Å; F268-E270 PolarHBondContact O-N 2.69Å; E270-T272 VanDerWaalsContact C-N 3.27Å; E270-T272 PolarHBondContact O-N 2.72Å; E270-K273 PolarHBondContact O-N 2.89Å; E270-K273 WeakPolarHBondContact OE2-CE 3.42Å; E270-K273 IonicContact OE2-NZ 2.65Å; E270-K273 PolarHBondContact OE2-NZ 2.87Å; E270-I274 HydrophobicContact CG-CD1 4.28Å; E270-I274 WeakPolarHBondContact O-CG1 3.47Å; E270-I274 PolarHBondContact O-N 3.14Å; E270-I274 VanDerWaalsContact O-N 3.1Å
271A87.3Confident83Confident43 Ų4371 Ų7136%0.35536%0.357SS..Hα-helixtrans-62.4-32.5176.900000112.8F267 F268 K275F267-A271 VanDerWaalsContact O-CB 3.29Å; F267-A271 WeakPolarHBondContact O-CB 3.44Å; F267-A271 PolarHBondContact O-N 3.46Å; F268-A271 PolarHBondContact O-N 3.16Å; A271-K275 WeakPolarHBondContact O-CD 3.26Å; A271-K275 VanDerWaalsContact O-CG 3.27Å; A271-K275 WeakPolarHBondContact O-CG 3.29Å; A271-K275 PolarHBondContact O-N 2.88Å
272T86Confident80.8Confident14 Ų1479.4 Ų79.49%0.08639%0.393CS..Hα-helixtrans-72.9-44.3174.7470000112.4F268 L269 E270 I274 K275 T276 V663F268-T272 HydrophobicContact CD1-CG2 4.32Å; F268-T272 HydrophobicContact CE1-CG2 3.84Å; F268-T272 HydrophobicContact CE2-CG2 4.07Å; F268-T272 HydrophobicContact CZ-CG2 3.7Å; F268-T272 WeakPolarHBondContact O-CG2 3.47Å; F268-T272 PolarHBondContact O-N 2.94Å; F268-T272 PolarHBondContact O-OG1 2.73Å; L269-T272 WeakPolarHBondContact CA-OG1 3.18Å; L269-T272 PolarHBondContact O-OG1 3.3Å; E270-T272 VanDerWaalsContact C-N 3.27Å; E270-T272 PolarHBondContact O-N 2.72Å; T272-I274 VanDerWaalsContact C-N 3.32Å; T272-I274 PolarHBondContact O-N 2.9Å; T272-K275 PolarHBondContact O-N 3.24Å; T272-T276 PolarHBondContact O-N 3.46Å; T272-T276 PolarHBondContact O-OG1 3.31Å; T272-V663 HydrophobicContact CG2-CG2 4.28Å
273K86.6Confident78.4Confident115 Ų11583.8 Ų83.850%0.542%0.419SS..Hα-helixtrans-52-50172.1-68.5170.5-158.2169.30111.9L269 E270 K275 T276 S277L269-K273 WeakPolarHBondContact O-CG 3.33Å; L269-K273 PolarHBondContact O-N 3Å; E270-K273 PolarHBondContact O-N 2.89Å; E270-K273 WeakPolarHBondContact OE2-CE 3.42Å; E270-K273 IonicContact OE2-NZ 2.65Å; E270-K273 PolarHBondContact OE2-NZ 2.87Å; K273-K275 VanDerWaalsContact C-N 3.3Å; K273-K275 PolarHBondContact O-N 2.99Å; K273-T276 PolarHBondContact O-N 3.01Å; K273-S277 PolarHBondContact O-N 2.86Å; K273-S277 PolarHBondContact O-OG 3.49Å
274I84.4Confident76Confident80 Ų8081.3 Ų81.341%0.4143%0.428SS..Hα-helixtrans-61.6-37.5-177.5-66.6166.2000111.5E270 T272 K278E270-I274 HydrophobicContact CG-CD1 4.28Å; E270-I274 WeakPolarHBondContact O-CG1 3.47Å; E270-I274 PolarHBondContact O-N 3.14Å; E270-I274 VanDerWaalsContact O-N 3.1Å; T272-I274 VanDerWaalsContact C-N 3.32Å; T272-I274 PolarHBondContact O-N 2.9Å; I274-K278 HydrophobicContact CG2-CD 4.05Å; I274-K278 WeakPolarHBondContact O-CB 3.43Å; I274-K278 VanDerWaalsContact O-CG 3.28Å; I274-K278 WeakPolarHBondContact O-CG 3.28Å; I274-K278 PolarHBondContact O-N 2.83Å
275K81.5Confident73.7Confident130 Ų13086 Ų8657%0.56546%0.455SS*.Hα-helixtrans-65.1-48.3174.5-71.6166.3-175.2176.60111.2A271 T272 K273 K278 N279A271-K275 WeakPolarHBondContact O-CD 3.26Å; A271-K275 VanDerWaalsContact O-CG 3.27Å; A271-K275 WeakPolarHBondContact O-CG 3.29Å; A271-K275 PolarHBondContact O-N 2.88Å; T272-K275 PolarHBondContact O-N 3.24Å; K273-K275 VanDerWaalsContact C-N 3.3Å; K273-K275 PolarHBondContact O-N 2.99Å; K275-K278 PolarHBondContact O-N 2.71Å; K275-N279 PolarHBondContact O-N 3.25Å; K275-N279 VanDerWaalsContact O-N 3.11Å
276T78.3Confident71.6Confident70 Ų7091.1 Ų91.143%0.42949%0.49SS..Hα-helixtrans-61.7-47.5-179.8-56.60000112.1T272 K273 K278 N279 N280T272-T276 PolarHBondContact O-N 3.46Å; T272-T276 PolarHBondContact O-OG1 3.31Å; K273-T276 PolarHBondContact O-N 3.01Å; T276-K278 VanDerWaalsContact C-N 3.34Å; T276-K278 PolarHBondContact O-N 2.67Å; T276-N279 PolarHBondContact O-N 3.23Å; T276-N280 PolarHBondContact O-N 3.1Å
277S73.6Confident69.4Low68 Ų6898.1 Ų98.148%0.47652%0.517SS..Hα-helixtrans-62.1-38.6178.5-60.40000112.8K273 N280 I281K273-S277 PolarHBondContact O-N 2.86Å; K273-S277 PolarHBondContact O-OG 3.49Å; S277-N280 PolarHBondContact O-N 2.94Å; S277-I281 WeakPolarHBondContact O-CG1 3.48Å; S277-I281 PolarHBondContact O-N 3.4Å
278K69.3Low66.6Low133 Ų13397 Ų9758%0.57852%0.524SS*.Hα-helixtrans-67.4-33.7176.7-75.6174.9178.9177.70112.8I274 K275 T276 K282I274-K278 HydrophobicContact CG2-CD 4.05Å; I274-K278 WeakPolarHBondContact O-CB 3.43Å; I274-K278 VanDerWaalsContact O-CG 3.28Å; I274-K278 WeakPolarHBondContact O-CG 3.28Å; I274-K278 PolarHBondContact O-N 2.83Å; K275-K278 PolarHBondContact O-N 2.71Å; T276-K278 VanDerWaalsContact C-N 3.34Å; T276-K278 PolarHBondContact O-N 2.67Å; K278-K282 PolarHBondContact O-N 2.79Å
279N60.6Low63.9Low96 Ų96105.3 Ų105.351%0.51356%0.561SS.*Hα-helixtrans-70.9-39.4175.1-70.4-5000111.8K275 T276 I281 K282 N283K275-N279 PolarHBondContact O-N 3.25Å; K275-N279 VanDerWaalsContact O-N 3.11Å; T276-N279 PolarHBondContact O-N 3.23Å; N279-I281 VanDerWaalsContact C-N 3.32Å; N279-I281 PolarHBondContact O-N 3.05Å; N279-K282 PolarHBondContact O-N 3.36Å; N279-N283 PolarHBondContact O-N 3.41Å
280N58.1Low61.4Low110 Ų110110.3 Ų110.359%0.58859%0.594SS**Hα-helixtrans-62.5-37.9176.3-69.9-3.7000112.3T276 S277 G284T276-N280 PolarHBondContact O-N 3.1Å; S277-N280 PolarHBondContact O-N 2.94Å; N280-G284 PolarHBondContact O-N 3.35Å
281I59.5Low58.4Low131 Ų131116.1 Ų116.167%0.67262%0.618SS**Hα-helixtrans-66.2-44.3174.5-65.9165.1000111S277 N279 N283 G284S277-I281 WeakPolarHBondContact O-CG1 3.48Å; S277-I281 PolarHBondContact O-N 3.4Å; N279-I281 VanDerWaalsContact C-N 3.32Å; N279-I281 PolarHBondContact O-N 3.05Å; I281-N283 VanDerWaalsContact C-N 3.3Å; I281-N283 PolarHBondContact O-N 2.88Å; I281-G284 PolarHBondContact O-N 3.01Å; I281-G284 VanDerWaalsContact O-N 3.08Å
282K48.7Very low55.7Low175 Ų175117.7 Ų117.776%0.76163%0.631SS**Hα-helixtrans-66.8-27.1-179.6-77.7-170.3171.9-167.40114.4K278 N279 G284K278-K282 PolarHBondContact O-N 2.79Å; N279-K282 PolarHBondContact O-N 3.36Å; K282-G284 VanDerWaalsContact C-N 3.32Å
283N43.5Very low53Low142 Ų142122.8 Ų122.876%0.75966%0.663SS**THydrogen-bonded Turntrans-87.5-0.4174.6-68.70000113N279 I281N279-N283 PolarHBondContact O-N 3.41Å; I281-N283 VanDerWaalsContact C-N 3.3Å; I281-N283 PolarHBondContact O-N 2.88Å
284G42.8Very low50.3Low60 Ų60123.3 Ų123.362%0.61968%0.675SS**THydrogen-bonded Turntrans-93.7-18.9-175.300000115.6N280 I281 K282 S286N280-G284 PolarHBondContact O-N 3.35Å; I281-G284 PolarHBondContact O-N 3.01Å; I281-G284 VanDerWaalsContact O-N 3.08Å; K282-G284 VanDerWaalsContact C-N 3.32Å; G284-S286 PolarHBondContact O-N 2.92Å
285D44.4Very low47.8Very low127 Ų127125.4 Ų125.468%0.67969%0.691SS**  trans-96.385.8-174.9-165.86.1000113
286S47.6Very low45.3Very low108 Ų108124.8 Ų124.876%0.75570%0.704SS**SBendtrans-140.4107.6144.749.50000109.4G284G284-S286 PolarHBondContact O-N 2.92Å
287Q44.3Very low42.7Very low202 Ų202124.9 Ų124.994%0.94472%0.718SS**SBendtrans78.975.1-175.3-52.8-157.838.400117.2
288S32.8Very low40.6Very low103 Ų103131.1 Ų131.172%0.7274%0.74SS**  trans-132.5115.6130.267.40000110.8
289K33.3Very low38.6Very low201 Ų201129 Ų12987%0.87475%0.747SS**  trans-80.8141.9169.5-88.4-175.6174.7179.80108.9
290P37.2Very low37.1Very low120 Ų120132.9 Ų132.978%0.77976%0.762SS**  trans-71.2149.5174.631.6-35.4000110.8
291F27.3Very low35.8Very low210 Ų210131.3 Ų131.392%0.92176%0.76SS**  trans-144.6146164.4-127.5-82.6000112.4
292A29.3Very low34.3Very low76 Ų76131 Ų13163%0.62876%0.76SS**  trans-156.6149-173.100000107.4
293T30.6Very low33.5Very low121 Ų121130.8 Ų130.874%0.74276%0.761SS**  cis-157.1-160.4-8.4-92.70000105.2
294V29.3Very low32.8Very low126 Ų126132.9 Ų132.976%0.76477%0.766SS**  trans86116.8172.1-168.80000112.3
295V31.7Very low32.1Very low124 Ų124135.9 Ų135.975%0.75277%0.772SS**  cis98.5140.628.2176.90000113.5
296S28.6Very low31.4Very low118 Ų118137.8 Ų137.883%0.82578%0.781SS**  trans102.7131.9178.9-44.70000114.1
297G25.5Very low30.3Very low71 Ų71140.7 Ų140.773%0.73278%0.782SS**  cis147.8141.4-14.100000113.4
298E28.1Very low30.1Very low199 Ų199136.8 Ų136.893%0.9377%0.774SS**  trans-169144.3156.9-114.6165.5-157.800111.4
299A28.6Very low29.8Very low89 Ų89139.9 Ų139.974%0.73678%0.777SS**  trans21135.9151.100000120.7
300E28.7Very low30.6Very low177 Ų177134.9 Ų134.983%0.82777%0.766SS**  cis-165-171.16.9-129.6-153.7-81.900109.7
301S29.2Very low30Very low78 Ų78136.4 Ų136.455%0.54577%0.766SS.*  cis-157.8178.811.656.70000111.3
302N29.4Very low30.1Very low123 Ų123131.2 Ų131.266%0.65876%0.756SS**  trans57.5111.8147.5-66.3-35.8000123.1
303H32.1Very low30.2Very low171 Ų171131.9 Ų131.979%0.79276%0.756SS**  trans52.4150.6139.8-61.5-78.8000121
304E27.2Very low30.1Very low186 Ų186134.8 Ų134.887%0.86976%0.761SS**  cis-139.9-171.617.3-149.1173.1-179.200112.8
305V29.9Very low30.1Very low123 Ų123132.2 Ų132.275%0.74576%0.76SS**  trans-107.7145.6-164.5173.20000112.1
306I28.4Very low30.1Very low167 Ų167131.1 Ų131.186%0.85676%0.758SS**  trans-174.1136.3134.1-95.8152.1000111.7
307H25.9Very low30.2Very low169 Ų169133.6 Ų133.678%0.78276%0.756SS**  trans-120.8160.3168.3-110-35000107
308P39.4Very low30.4Very low120 Ų120135.3 Ų135.378%0.77975%0.753SS**  -150178.351.740.9-19.4000119
309Q25.5Very low30.3Very low169 Ų169135.8 Ų135.879%0.7975%0.748SS**  trans-62.6-168.2157.2-107.9-177.88.500113.3
310P51.8Low30.3Very low96 Ų96138.3 Ų138.362%0.62375%0.747SS**  cis-135.4-168.8-5.425.8-0.6000115
311L23.9Very low30.3Very low152 Ų152138 Ų13880%0.79675%0.747SS**  trans141.7106.5136.2-73.7164.4000110.2
312S29.6Very low30.2Very low101 Ų101137.5 Ų137.571%0.70676%0.755SS**  70.3143.280.975.90000114.1
313S30.5Very low30.3Very low89 Ų89140.3 Ų140.362%0.62276%0.764SS**  cis-155.3176.913.2-149.60000113.1
314E30Very low30Very low183 Ų183135.2 Ų135.286%0.85576%0.759SS**  trans21.8145.2153.8-66.1145.1130.200121.5
315G27.4Very low30.2Very low71 Ų71136 Ų13673%0.73276%0.759SS**  cis-178.8-1735.400000108.6
316S32.3Very low30Very low102 Ų102135 Ų13571%0.71376%0.757SS**  cis-158.2160.21.7-67.60000109.6
317Q31.6Very low29.8Very low170 Ų170134.7 Ų134.779%0.79476%0.756SS**  trans34.3146.9143.5-70.8167.7-34.900121.2
318T28.9Very low29.9Very low107 Ų107130.8 Ų130.866%0.65675%0.748SS**  cis-170.3137.134-11.80000111.3
319Y25.7Very low29.3Very low209 Ų209133.3 Ų133.382%0.8275%0.749SS**  trans58.1148.6132-79.4-126.2000120
320I29.7Very low29.2Very low142 Ų142133.9 Ų133.973%0.72875%0.752SS**  cis-145.1126.83.4-62.5-163.7000105.9
321M28.4Very low27.9Very low169 Ų169138.5 Ų138.583%0.83376%0.762SS**  73.2125.975.7-155.9-173.5-179.300118.2
322G27.4Very low28.5Very low69 Ų69136 Ų13671%0.71176%0.755SS**  trans108.5150.6149.300000119.1
323E30.4Very low28.3Very low181 Ų181142.9 Ų142.985%0.84677%0.765SS**  cis-168158.7-30.7-137-174-142.400113.3
324G27.3Very low28Very low65 Ų65142.4 Ų142.467%0.6777%0.767SS**  trans91.3155.3162.500000118
325K30.2Very low27.7Very low201 Ų201139.6 Ų139.687%0.87477%0.767SS**  cis-157.4129.8-4.7-114.7176.1-176174.80113.3
326C24.9Very low27.5Very low104 Ų104140 Ų14070%0.70377%0.771SS**  trans41.1125.4136.9-66.40000125
327L25.6Very low27.1Very low160 Ų160142.5 Ų142.584%0.83878%0.776SS**  67.6156.7122.8-62.9175.9000120.2
328S27.8Very low26.9Very low87 Ų87140.9 Ų140.961%0.60877%0.772SS**  cis-165.4159.61.731.70000113.3
329Q26Very low26.7Very low173 Ų173144.7 Ų144.781%0.80878%0.779SS**  trans66.9160.2155.1-73.2166.5-11.700117.6
330E24.6Very low26.8Very low181 Ų181139.8 Ų139.885%0.84678%0.775SS**  cis-144.1-155.93.2-140.5175.2-176.300114.1
331K24.3Very low27.3Very low193 Ų193139 Ų13984%0.83978%0.779SS**  trans-129.9-169.5-170-131.3177.8-179.5172.20109.3
332P36Very low27.2Very low99 Ų99134.9 Ų134.964%0.64377%0.772SS**  cis-141.6179.3-1441.6-22.9000118
333R25.5Very low27.1Very low245 Ų245136.7 Ų136.793%0.92577%0.774SS**  trans70.2156.3148.4-86.4175177.1176.5-1.3119.2
334A24.7Very low27.1Very low80 Ų80135.1 Ų135.166%0.66177%0.771SS**  cis-156.5172.3-5.400000112.4
335S23.1Very low27.2Very low124 Ų124140.5 Ų140.587%0.86778%0.776SS**  trans25.9142.5152.356.10000121.8
336G24.1Very low26.9Very low78 Ų78135.8 Ų135.880%0.80477%0.774SS**  cis150-17914.300000109.6
337L23.6Very low27Very low155 Ų155139.2 Ų139.281%0.81278%0.78SS**  cis-174.3127.1-15.5174.863000110.9
338L26.5Very low27Very low137 Ų137138.2 Ų138.272%0.71778%0.78SS**  trans65.9168.9171.1-63.8167.4000116.7
339K25.1Very low26.9Very low187 Ų187139.3 Ų139.381%0.81379%0.787SS**  cis-156.6166.49.4-140.6154.3-170.8174.90112.6
340S27.3Very low26.9Very low105 Ų105138.9 Ų138.973%0.73478%0.782SS**  trans-107.6177.8163.762.30000111.3
341P39.7Very low27.3Very low125 Ų125137.1 Ų137.181%0.81277%0.774SS**  -157.5-176.790.142.4-21.6000118.7
342A26.9Very low27.5Very low83 Ų83133.6 Ų133.669%0.68676%0.764SS**  trans-63.2152.7174.300000115.1
343S26.7Very low27.2Very low108 Ų108136.7 Ų136.776%0.75578%0.775SS**  84.2161.572.297.90000115.5
344L28.8Very low27.5Very low147 Ų147130.1 Ų130.177%0.7777%0.766SS**  cis-164.7173.316.6-132.1-174.5000112.3
345K28.9Very low27.7Very low179 Ų179133.7 Ų133.778%0.77877%0.774SS**  trans69.8125.8157.5-68.7-176.4-180-179.30123.4
346A24.4Very low28Very low101 Ų101133 Ų13384%0.83576%0.764SS**  -169.5167.9129.100000111
347H27Very low28.3Very low177 Ų177135.9 Ų135.982%0.81977%0.767SS**  trans-133.8145.5-170.7-67.8-97.3000116.1
348T26.3Very low28.5Very low139 Ų139137.4 Ų137.485%0.85377%0.77SS**  trans180122.113320.40000109.7
349C24.6Very low28.6Very low110 Ų110139 Ų13974%0.74378%0.778SS**  56.5123.293.6-105.50000114.9
350K27.3Very low28.7Very low163 Ų163135 Ų13571%0.70978%0.779SS**  cis-144.3138.410.7-86.7-166.8177.6-172.60110.9
351Q32.1Very low28.8Very low144 Ų144136.5 Ų136.567%0.67379%0.785SS**  61.9146.594.1-57.5-167-85.100116.6
352D28.4Very low28.4Very low120 Ų120138.5 Ų138.564%0.64279%0.787SS**  cis-172.5-178-16.9-96.5-19.3000107
353L30Very low28.5Very low164 Ų164139.3 Ų139.386%0.85979%0.788SS**  cis-134.6147.74.3-66.773.8000110.2
354S31.6Very low28.8Very low106 Ų106139.3 Ų139.374%0.74179%0.788SS**  trans-161129.9151.963.10000109.9
355N28.9Very low28.7Very low155 Ų155137.8 Ų137.883%0.82978%0.784SS**  trans-166.4142.8166.1-83.9-31.2000106.7
356T29.3Very low28.5Very low109 Ų109136 Ų13667%0.66978%0.783SS**  cis79.610234.671.20000116.2
357T30.6Very low28.9Very low139 Ų139137.6 Ų137.685%0.85378%0.776SS**  trans15.8118.1136.2-37.30000118.5
358E27.3Very low28.9Very low187 Ų187135.9 Ų135.987%0.87477%0.773SS**  trans-108.6153.7163.3-67-168.3131.500112.1
359L28.5Very low29.2Very low172 Ų172136.5 Ų136.590%0.90177%0.77SS**  trans-86.3137.8165.8-79.473.8000109.3
360A28.5Very low29.4Very low101 Ų101138.7 Ų138.784%0.83577%0.773SS**  trans-110.2128167.800000110.5
361T28.2Very low29.5Very low138 Ų138136.7 Ų136.785%0.84778%0.776SS**  trans-69.6150.9-176.1-54.50000112.4S363T361-S363 PolarHBondContact O-N 3.13Å; T361-S363 VanDerWaalsContact O-N 3.13Å
362I32Very low29.5Very low166 Ų166135 Ų13585%0.85179%0.787SS**  trans-60.6113.2174.5-60.8169.5000109.7
363S30Very low29.5Very low101 Ų101139.2 Ų139.271%0.70680%0.8SS**  trans-88.2124.1166.9-174.50000109.9T361 V365T361-S363 PolarHBondContact O-N 3.13Å; T361-S363 VanDerWaalsContact O-N 3.13Å; S363-V365 PolarHBondContact O-N 2.8Å
364S31.7Very low29.4Very low108 Ų108135 Ų13576%0.75580%0.795SS**  trans-75.2115.1175.951.60000110.9
365V27.6Very low29.3Very low115 Ų115141.4 Ų141.470%0.69780%0.803SS**  trans-109.9104170-1780000108.6S363 I367S363-V365 PolarHBondContact O-N 2.8Å; V365-I367 HydrophobicContact CG1-CG1 4.2Å
366N25Very low29.2Very low140 Ų140141.7 Ų141.775%0.74981%0.805SS**  trans-69.4139.7164.8-75.3-12.7000109.1
367I32.4Very low29.2Very low135 Ų135142.3 Ų142.369%0.69281%0.814SS**  trans-125.896.4167.5-58.8-178.8000106.7V365 I369V365-I367 HydrophobicContact CG1-CG1 4.2Å; I367-I369 HydrophobicContact CG2-CG1 4.18Å; I367-I369 PolarHBondContact O-N 3.11Å
368D26Very low29.2Very low142 Ų142142.4 Ų142.476%0.75981%0.814SS**  trans-72.7112.3175-69.9-57.9000110.1L370D368-L370 PolarHBondContact O-N 3.45Å
369I33.2Very low29.2Very low152 Ų152138.7 Ų138.778%0.77981%0.809SS**  trans-97.889.1175.3-56-180000108.7I367I367-I369 HydrophobicContact CG2-CG1 4.18Å; I367-I369 PolarHBondContact O-N 3.11Å
370L29.1Very low29.3Very low156 Ų156138.1 Ų138.182%0.81781%0.806SS**  trans-82.2133.6170.9-74.2176.7000111.1D368 A372D368-L370 PolarHBondContact O-N 3.45Å; L370-A372 PolarHBondContact O-N 3.27Å
371P29.5Very low29.1Very low120 Ų120136.8 Ų136.878%0.77980%0.802SS**  trans-83.9117.7-174.931.6-34.1000112.7K373P371-K373 PolarHBondContact O-N 2.71Å
372A30.6Very low29Very low108 Ų108139.6 Ų139.689%0.89380%0.803SS**  trans-77.6114.3171.400000111.3L370L370-A372 PolarHBondContact O-N 3.27Å
373K28.4Very low28.8Very low210 Ų210136.7 Ų136.791%0.91379%0.793SS**  trans-93.9128.1173.6-160.7173.6-175.2177.50109.1P371P371-K373 PolarHBondContact O-N 2.71Å
374G28.1Very low28.7Very low74 Ų74139.4 Ų139.476%0.76380%0.795SS**  trans-72.6177.5-165.900000116.5
375R29.8Very low28.5Very low242 Ų242141.3 Ų141.391%0.91379%0.791SS**  trans-155.9138.2168-140.2-178.3-61.6-159.44.1110.2
376D26.9Very low28.4Very low160 Ų160141.6 Ų141.686%0.85679%0.789SS**  trans-93.1150.9-176.6-42.8-90.9000112.9
377S30.3Very low28.4Very low122 Ų122143.1 Ų143.185%0.85379%0.792SS**  trans-161.2150.9155.255.30000111.2
378V29.5Very low29.2Very low141 Ų141140.5 Ų140.586%0.85578%0.784SS**  trans-127.5145.9-168.8172.60000110.1
379S28.2Very low29.4Very low110 Ų110144.5 Ų144.577%0.76979%0.788SS**  trans171.7151.2135.4-168.30000114.1
380D29.3Very low29.1Very low159 Ų159147.1 Ų147.185%0.8579%0.79SS**  trans-66.7170.5-179.2-51.1-66.2000117.4
381G25.8Very low29Very low73 Ų73146.7 Ų146.775%0.75379%0.787SS**  trans177.1133.1159.600000113.7
382F26Very low28.9Very low198 Ų198148 Ų14887%0.86879%0.788SS**  trans-131.1129-170-116.2-111.3000114
383V28.1Very low28.8Very low104 Ų104146.4 Ų146.463%0.6378%0.775SS**  trans70.6145.2133.3165.80000123.2
384Q27Very low28.9Very low159 Ų159141.8 Ų141.874%0.74377%0.768SS**  trans69146.2164.9-84.2165.1-66.700117.8
385E27.7Very low28.9Very low147 Ų147145.9 Ų145.969%0.68777%0.773SS**  cis-159.4-173.2-3.8-135.5172.2-12100108.3
386N24.8Very low29Very low121 Ų121142.5 Ų142.565%0.64777%0.768SS**  cis-147.2-128.67.4-169.4-90.2000111.6
387Q26.5Very low29Very low172 Ų172143.1 Ų143.180%0.80477%0.77SS**  trans-161.4-152.2-165.4-128.9-166.625.500107.7
388P48.1Very low28.8Very low81 Ų81141 Ų14153%0.52677%0.767SS.*  cis-136.1-165.4-13.323.13.9000115.5
389R30.6Very low28.5Very low226 Ų226137.5 Ų137.585%0.85376%0.76SS**  trans102.1145.1150.7-63.6-175.2-172.3-133.5-3.5118.3
390Y27.8Very low28.5Very low207 Ų207140.2 Ų140.281%0.81276%0.764SS**  cis-169.1-170.6-23.4-149.2-108.9000110.6
391L27Very low28.1Very low147 Ų147138 Ų13877%0.7776%0.76SS**  trans80.679.5161.7-68.3172.9000121.6
392D26.6Very low28Very low148 Ų148138.6 Ų138.679%0.79175%0.753SS**  54.5151.798.8-139.6-2.7000125.2
393A29.1Very low28Very low74 Ų74136.5 Ų136.561%0.61275%0.749SS**  trans80.898.7149.600000125.5
394S29.3Very low28Very low112 Ų112135.8 Ų135.878%0.78375%0.748SS**  79.9129.7113.9-55.60000126.7
395N29.5Very low28.1Very low161 Ų161136.8 Ų136.886%0.86175%0.753SS**  trans87.8160136.5-86.927.1000124.9
396E30Very low28Very low171 Ų171135.9 Ų135.980%0.79976%0.757SS**  trans-92.2149.2-164.7-46.1174.1126.600114.9
397L28.4Very low28Very low172 Ų172138 Ų13890%0.90176%0.763SS**  171.4161.6111-95.2153.5000109.7
398G24.6Very low28.3Very low77 Ų77137.9 Ų137.979%0.79476%0.763SS**  trans-127.3170-170.900000115.2
399G24.5Very low27.5Very low69 Ų69142 Ų14271%0.71178%0.775SS**  trans163.6106.8165.100000118.8
400I27.3Very low27.5Very low167 Ų167137.9 Ų137.986%0.85677%0.767SS**  trans80.8150.4132.5-62.8164.7000119.5
401C21.6Very low27.7Very low111 Ų111133.8 Ų133.875%0.7576%0.759SS**  trans76.7138.3172.5-79.20000118.5
402S24.6Very low27.7Very low87 Ų87134.5 Ų134.561%0.60876%0.758SS**  cis-172.5154-12-115.80000114
403I25.7Very low27.8Very low154 Ų154133.4 Ų133.479%0.7975%0.752SS**  trans60.1141.4136.8-64.9168000119.6
404S26.8Very low27.8Very low88 Ų88135.8 Ų135.862%0.61575%0.754SS**  cis-172.7153.1-18.859.20000113.1
405Q28.8Very low27.7Very low180 Ų180136.2 Ų136.284%0.84175%0.752SS**  trans37.6131.5141.3-66.8178.9-62.900125
406V25.7Very low27.7Very low128 Ų128137.6 Ų137.678%0.77675%0.751SS**  -148.1161.4116.3-1390000105.5
407E25.4Very low27.6Very low166 Ų166135.1 Ų135.178%0.77675%0.752SS**  cis-121.6-173.9-4.1-63.9147.2115.500107.8
408E33.3Very low27.5Very low170 Ų170132.3 Ų132.379%0.79475%0.747SS**  cis80.4142.313.1-69.9149.8128.600116.2
409E30.2Very low27.6Very low168 Ų168133 Ų13379%0.78575%0.745SS**  cis-132.7149.75.5-105.9-157127.400114.6
410M32.1Very low27.8Very low138 Ų138137.7 Ų137.768%0.6875%0.749SS**  trans45.3146.3135.5-57.6-85.983.900122.1
411L30.4Very low28.6Very low122 Ų122134.9 Ų134.964%0.63974%0.741SS**  cis-157.6172.6-2.8-98.2159.8000106.7
412Q28.5Very low28.9Very low161 Ų161136.8 Ų136.875%0.75274%0.739SS**  cis-160143.524.7-141.4166.118.200110.6
413D28.2Very low29.1Very low126 Ų126138.3 Ų138.367%0.67474%0.74SS**  trans37.8148.7137.9-76.246.1000123.6
414N29.4Very low29.1Very low123 Ų123138.5 Ų138.566%0.65874%0.742SS**  cis-170.2169.4-11.1-137-57.7000105.9
415T27.3Very low29.3Very low121 Ų121141.9 Ų141.974%0.74275%0.752SS**  cis-148.2-1436.7-450000109.4
416K29.9Very low30.1Very low190 Ų190137.6 Ų137.683%0.82674%0.74SS**  trans-147.7169.6173.2-82.2-176.5176.2175.60112.2
417S28.1Very low30Very low119 Ų119137.7 Ų137.783%0.83273%0.733SS**  trans80.2161.3165.884.30000116.1
418S24.6Very low29.9Very low113 Ų113140 Ų14079%0.7974%0.735SS**  cis-156.7177.79.8-156.30000113.6
419A27.2Very low29.5Very low91 Ų91136.4 Ų136.475%0.75273%0.728SS**  trans80.7131.8149.400000123
420Q29.5Very low29.3Very low169 Ų169132.6 Ų132.679%0.7972%0.721SS**  trans-78.5176.7151.6-84.7-88.3-2100109.1
421P44.4Very low29.2Very low107 Ų107132.4 Ų132.470%0.69572%0.722SS**  cis-150.7171.330.245.6-24.9000120.6
422E27.2Very low29.1Very low152 Ų152133.5 Ų133.571%0.7173%0.727SS**  trans60.1141.7138.1-84.6-174.1-146.200125.8
423N28.3Very low29.2Very low118 Ų118131.7 Ų131.763%0.63173%0.727SS**  trans90.8111.3142-71-31.7000124.1
424L25.7Very low29.3Very low159 Ų159132.3 Ų132.383%0.83274%0.735SS**  trans85.8133.3131.9-63.4169.6000122.5
425I31Very low29.3Very low158 Ų158129.9 Ų129.981%0.8174%0.74SS**  trans-91.4-179.6165.24.7174.8000108.3
426P46.1Very low29.4Very low91 Ų91131.4 Ų131.459%0.59174%0.738SS**  cis-147.1-170.822.344-23000117.6
427M22.7Very low29.3Very low129 Ų129129.4 Ų129.464%0.63573%0.73SS**  trans68.7157.4149.4-77.1154.324.400118.7
428W23.3Very low29.4Very low215 Ų215130.9 Ų130.981%0.81473%0.728SS**  cis-148178.12.7-120.5-30.8000112.6
429S25.9Very low29.4Very low94 Ų94133.9 Ų133.966%0.65773%0.73SS**  trans-35.2170.4167.6-37.50000117.7
430S26.5Very low30.6Very low89 Ų89134.2 Ų134.262%0.62272%0.724SS**  cis-172.4150.248-117.40000116.5
431D29.5Very low30.6Very low133 Ų133132.1 Ų132.171%0.71172%0.723SS**  trans62.8159139.6-52.4-37.8000121.3
432I28.3Very low30.2Very low146 Ų146136.4 Ų136.475%0.74973%0.73SS**  cis-147.913415.7-132.5139.1000108.5
433V30Very low30.9Very low123 Ų123134.2 Ų134.275%0.74573%0.73SS**  62.6140.193.1175.50000114.5
434T30.7Very low30.7Very low138 Ų138136.5 Ų136.585%0.84774%0.741SS**  cis-115.4173.48.651.20000112.3
435G28.5Very low31Very low73 Ų73137.6 Ų137.675%0.75374%0.742SS**  cis151.9163.68.200000108.3
436E30.5Very low31.6Very low152 Ų152135 Ų13571%0.7174%0.735SS**  cis-167.2160.85.5-147.1-158151.500111
437K28.4Very low30.6Very low148 Ų148138 Ų13864%0.64375%0.745SS**  trans67.8137163.1-60.1170.5165.178.50118.6
438N28.4Very low31Very low150 Ų150138.2 Ų138.280%0.80275%0.748SS**  cis-154.2150.5-7.6-108.7-6.3000112.2
439E25.8Very low31.2Very low176 Ų176136 Ų13682%0.82274%0.744SS**  trans-118.9-163.8173.8-126.5-159.7177.600108.4
440P52.7Low31.2Very low98 Ų98137.6 Ų137.664%0.63674%0.741SS**  cis-127.4-160.3-42.331.1-12.2000111.9
441V28.2Very low31.2Very low126 Ų126141.4 Ų141.476%0.76475%0.749SS**  trans146125.5130.5169.50000114.1
442K36.6Very low31Very low196 Ų196144 Ų14485%0.85275%0.754SS**  trans-108154.1149-78.7-179.9178.2175.90106.4
443P42.2Very low32Very low107 Ų107142.4 Ų142.470%0.69575%0.753SS**  cis-150.6-153.643.736.4-10.8000115.2
444L24.8Very low32.2Very low165 Ų165143.6 Ų143.686%0.86475%0.748SS**  trans96.4138.6164.1-56.5171.2000119.4
445Q30.9Very low32.1Very low182 Ų182142.2 Ų142.285%0.8574%0.736SS**  trans-95.3-175.3159.1-62.3-176.5-13.100108
446P43Very low32.3Very low104 Ų104145.6 Ų145.668%0.67573%0.732SS**  cis-148-153.113.842.7-19.2000115.9
447L26.3Very low32.3Very low154 Ų154143.4 Ų143.481%0.80673%0.725SS**  trans80.8147.5157.5-114.566.9000116.3
448I29.8Very low32.6Very low133 Ų133144 Ų14468%0.68273%0.73SS**  cis-142.7143.619-97.3179.6000112.2
449K27.9Very low32.7Very low170 Ų170143 Ų14374%0.73973%0.729SS**  trans36.6157.4147.3-62.5177.7160.4-133.50122.1
450E26.7Very low32.9Very low127 Ų127139.4 Ų139.459%0.59373%0.73SS**  cis-154.8170.2-6.1-117.3167.9-135.100106.7
451Q26.8Very low31.7Very low169 Ų169138.6 Ų138.679%0.7974%0.738SS**  cis-158.1171.529.3-136.9157.95900110.8
452K24.8Very low31.6Very low188 Ų188141.3 Ų141.382%0.81774%0.743SS**  trans-112.4178.2174.9-124.6-171.2-179.6-178.90109.9
453P49.2Very low31Very low112 Ų112136.6 Ų136.673%0.72773%0.734SS**  cis-117.5-163.13020.95.6000111.3
454K33.3Very low30.3Very low148 Ų148138.1 Ų138.164%0.64374%0.735SS**  cis-157.8-175-15.6-120.5169.5156-79.50105.7
455D29.9Very low30.5Very low109 Ų109137 Ų13758%0.58373%0.728SS**  cis-153-169.86.9-136-27.3000115.7
456Q32.3Very low30.3Very low143 Ų143134.9 Ų134.967%0.66872%0.718SS**  trans-66.5166.5172.2-68.9172.1-87.400116.4
457D31Very low29.5Very low106 Ų106136.6 Ų136.657%0.56772%0.715SS**  cis-156.5170.83.3-125.5-38.9000115.4
458Q33.5Very low29.5Very low161 Ų161137.9 Ų137.975%0.75272%0.717SS**  trans-7.7162.6155.5-71.6168.184.400122
459V30.8Very low29.2Very low130 Ų130135.3 Ų135.379%0.78872%0.723SS**  cis-160.6175.90.2118.10000112.4
460A30.2Very low29.4Very low100 Ų100137.9 Ų137.983%0.82673%0.728SS**  trans-56.8167.6-17600000119.9
461G27.3Very low29.4Very low80 Ų80139.7 Ų139.783%0.82574%0.74SS**  trans-178.4144.8165.500000113.2
462E26.7Very low29.9Very low184 Ų184139 Ų13986%0.8674%0.736SS**  trans-111165.7-176.3-61.8-176.9105.900114.1
463C24.5Very low30.7Very low97 Ų97135.3 Ų135.366%0.65573%0.731SS**  trans75.3131.7137.5-86.80000123.4
464I27.5Very low29.6Very low139 Ų139135.3 Ų135.371%0.71373%0.725SS**  90.5107.1125.7-76.8174.1000121.2
465I27.6Very low29.4Very low140 Ų140135.9 Ų135.972%0.71874%0.735SS**  88.4125.2125.8-76.1-175000123.3
466E26.4Very low29.7Very low139 Ų139137 Ų13765%0.6574%0.736SS**  trans75.4122.3145.2-77.2-171.8172.700126.7
467K26.5Very low30.4Very low140 Ų140134.2 Ų134.261%0.60973%0.73SS**  63.8123.1127.4-70.4173-167.4151.70122.9
468Q26.3Very low30.4Very low181 Ų181136.4 Ų136.485%0.84674%0.737SS**  56.8116.7126-59.5173-5400119.9
469G24.1Very low30.2Very low78 Ų78135 Ų13580%0.80473%0.734SS**  trans174.9130.3156.900000113.5
470R31.9Very low30.3Very low225 Ų225134 Ų13485%0.84973%0.733SS**  trans-80.2164.2158.5-64.4-175.3178.6-165.30.9108.3
471I27.3Very low30.2Very low165 Ų165132.9 Ų132.985%0.84673%0.731SS**  -168.8165.289.1-90.4160.9000110.5
472H37.1Very low30.2Very low155 Ų155134.8 Ų134.872%0.71873%0.732SS**  trans-62.7-177.2177.5-66.7-105.7000114.2
473P41.2Very low30.1Very low110 Ų110135.2 Ų135.271%0.71473%0.734SS**  -135.4148.795.637.3-27.5000115.9
474D26.7Very low31.3Very low111 Ų111135.4 Ų135.459%0.59474%0.735SS**  trans44.5158.8137.8-59.7-62.8000122.4Q476D474-Q476 WeakPolarHBondContact OD1-CG 3.46Å; D474-Q476 PolarHBondContact OD1-NE2 2.68Å
475L29.4Very low31.3Very low161 Ų161133.6 Ų133.684%0.84373%0.734SS**  cis-127.1143.816.6-66153.4000110
476Q34.6Very low31.2Very low133 Ų133134.5 Ų134.562%0.62174%0.739SS**  cis88.9147.941.8-77.8-151.233.500115.8D474D474-Q476 WeakPolarHBondContact OD1-CG 3.46Å; D474-Q476 PolarHBondContact OD1-NE2 2.68Å
477P48.8Very low31.5Very low83 Ų83131.5 Ų131.554%0.53973%0.734SS.*  cis-148.3175.5-31.842.2-25.3000116.7
478H30.4Very low32Very low153 Ų153136 Ų13671%0.70875%0.747SS**  trans63.8150.1152.3-59.5-36.4000119.9
479N29.7Very low32.4Very low130 Ų130135.1 Ų135.170%0.69574%0.743SS**  cis-167.4172.2-14.7-100.7-13.6000108
480S32.7Very low32.7Very low110 Ų110142.3 Ų142.377%0.76975%0.746SS**  cis177.5125.2-38.3-86.90000108.6
481G27.2Very low32.6Very low76 Ų76143.4 Ų143.478%0.78475%0.75SS**  trans170.2109.3176.400000118.9
482S28.4Very low33.1Very low121 Ų121144.7 Ų144.785%0.84675%0.753SS**  trans29.8123.1142.9-47.70000124.9
483E23.6Very low33Very low192 Ų192144.9 Ų144.990%0.89775%0.751SS**  trans69.7174.2134.9-100.8-162167.500120.7
484P50.5Low32.5Very low102 Ų102151.2 Ų151.266%0.66276%0.761SS**  -124.4171.2-127.644.8-32.4000118.6
485S26.8Very low32.8Very low100 Ų100154.3 Ų154.370%0.69976%0.764SS**  trans83.1156.2154.482.80000120
486L26.6Very low32.7Very low159 Ų159152.5 Ų152.583%0.83275%0.751SS**  trans68.8156.8171.7-54.7175.8000117.2
487S31.5Very low32.4Very low77 Ų77154.5 Ų154.554%0.53876%0.761SS.*  cis-170.3165.3-33.463.90000111.1
488R36.9Very low31.5Very low233 Ų233156.1 Ų156.188%0.87977%0.769SS**  trans71.1157.3166.8-51.1161.9-176.1-153.2-2.1114.2
489Q35.2Very low31.3Very low163 Ų163157.1 Ų157.176%0.76277%0.774SS**  cis-121.5170-0-100.4175.736.500109.2
490R29.9Very low31.2Very low229 Ų229159.9 Ų159.986%0.86478%0.783SS**  cis-146.9146.718.8-131.8171.1-163.6-162.71.2108.8
491R31.1Very low30.9Very low249 Ų249166.1 Ų166.194%0.9479%0.789SS**  trans-153.6121.6-175.5-170.9-175.1-168.8-170.36.3113
492Q37.1Very low30.8Very low192 Ų192165.3 Ų165.390%0.89778%0.781SS**  trans-161.6159.9162.6-103-173.9-2.100110.4
493K35.4Very low30.8Very low159 Ų159166.4 Ų166.469%0.69177%0.773SS**  -173.9116.6-56.4170.6-177176.6-174.10110.2
494R29.2Very low31.1Very low243 Ų243164.6 Ų164.692%0.91776%0.762SS**  trans-152.2130146.2-95178.2177.8-121.31.2106.2
495R33.2Very low30Very low175 Ų175169.6 Ų169.666%0.6677%0.768SS**  cis71.5131.642.6-82.1-174.5149.3-142.72.1113
496E28.7Very low30.1Very low123 Ų123172.2 Ų172.258%0.57577%0.769SS**  cis-127168.1-2.5-95.5103.5-173.400109.3
497Q28.2Very low30.2Very low176 Ų176170.6 Ų170.682%0.82277%0.765SS**  51.5140.663.7-67.9-176.8-21.400113.5
498T28.4Very low30Very low117 Ų117175.5 Ų175.572%0.71877%0.772SS**  cis-156.2179.721.3-25.30000113
499E27.6Very low29.7Very low174 Ų174173.1 Ų173.181%0.81376%0.763SS**  trans92.9139.4143.1-87.8169-132.900124.8
500H26.9Very low29.3Very low187 Ų187170.9 Ų170.987%0.86676%0.757SS**  trans-94.6135.2159.4-89.7-6.4000109.7
501R26.6Very low29.3Very low241 Ų241166 Ų16691%0.90975%0.747SS**  trans-172.5157.5142.4-123.7178.4179.6-89.3-2.4114.7
502G25.9Very low29.1Very low60 Ų60162.4 Ų162.462%0.61974%0.738SS**  trans75.9103.4154.300000115.5
503E28Very low28.7Very low143 Ų143157 Ų15767%0.66873%0.727SS**  61.5126.367.8-66.3-148.712400116.4
504K28.6Very low28.4Very low155 Ų155157.7 Ų157.767%0.67473%0.73SS**  trans64.7149.6141.9-67.4165.1-168154.80117.7
505R27.4Very low28.3Very low206 Ų206153 Ų15378%0.77772%0.719SS**  cis-174.1137.7-23.2-123-177.6-179.3-177.51106.7
506Q29.5Very low28.1Very low155 Ų155152.3 Ų152.372%0.72472%0.723SS**  trans70.4169.3134.1-158.7172.8-6.800118.9
507V28.7Very low28Very low125 Ų125151.2 Ų151.276%0.75873%0.729SS**  trans73.7133.7169.9-173.10000114.6
508R28.3Very low29.1Very low181 Ų181148.3 Ų148.368%0.68373%0.725SS**  cis172.9149.2-25.4-124.2178.8170.6178.8-0.6105.8
509R29.3Very low30.1Very low182 Ų182147.9 Ų147.969%0.68772%0.724SS**  trans65.7166.8147.1-71.6179.9172.7176.7-4.4116.7
510D27.3Very low30.2Very low117 Ų117149.3 Ų149.363%0.62672%0.722SS**  cis-154.6133.3-15.7-104.8-15.1000106.6
511L29.2Very low30.2Very low126 Ų126148.9 Ų148.966%0.6672%0.718SS**  84.3142.791-102.7175.4000117.3
512F28.4Very low30.4Very low173 Ų173145.3 Ų145.376%0.75972%0.716SS**  trans68.5125.4171.7-57.3-62.6000117.7
513A28.9Very low31Very low79 Ų79148 Ų14865%0.65372%0.722SS**  95.3146.157.700000111.6
514F28.9Very low31Very low173 Ų173146.5 Ų146.576%0.75973%0.728SS**  cis-164.4165.149-113.4-82.9000114.1
515Q25.5Very low31.2Very low146 Ų146148 Ų14868%0.68274%0.737SS**  trans61.6160.3154.6-94149.6-77.100119.8
516E29.3Very low32Very low160 Ų160143.6 Ų143.675%0.74874%0.735SS**  cis-139.2-154.27.7-158.9134.1-116.500114.3
517S28.1Very low31.9Very low100 Ų100143.6 Ų143.670%0.69974%0.739SS**  trans-122.5165.4-146.6-56.60000115.9
518P51Low32Very low115 Ų115144.6 Ų144.675%0.74775%0.745SS**  trans-88.9-173.3178.842.8-39.8000111.4
519P48.8Very low31.9Very low107 Ų107138.9 Ų138.970%0.69574%0.742SS**  cis-162.4173.545.846.6-22.6000123.2
520R30.4Very low31.8Very low205 Ų205140.2 Ų140.277%0.77475%0.752SS**  trans76.1132.7134.2-88.4168173.8-162.7-1125.9
521F27Very low31.9Very low177 Ų177140.3 Ų140.378%0.77676%0.757SS**  trans87.5154139.1-67.6-45.1000123.8
522L30.1Very low31.7Very low166 Ų166141.3 Ų141.387%0.86976%0.763SS**  trans-105165.3-175.9-63.5159.2000110.5
523P38Very low31.7Very low116 Ų116138.3 Ų138.375%0.75376%0.759SS**  -160.516594.941.4-21.6000119.8
524S28.4Very low31.7Very low112 Ų112141.1 Ų141.178%0.78377%0.768SS**  trans64.5149.5141.258.60000125.2
525H33.6Very low31.7Very low187 Ų187137 Ų13787%0.86676%0.761SS**  trans-93.8163.8173.8-55.6-90.2000114.1
526P42.7Very low32.1Very low113 Ų113136 Ų13673%0.73476%0.764SS**  -142.4141.1121.423.8-2.8000114.2
527I29.3Very low32.3Very low156 Ų156135.5 Ų135.580%0.876%0.762SS**  84.5116.578.8-65.4167.1000116.3
528V30Very low32.6Very low146 Ų146137.5 Ų137.589%0.88576%0.758SS**  trans39.9139.7145.8-177.70000120.3
529G26.8Very low31.7Very low60 Ų60138.9 Ų138.962%0.61976%0.755SS**  cis161.6-165.7300000112.3
530K27.3Very low31.1Very low211 Ų211138.3 Ų138.392%0.91776%0.759SS**  trans72.9146.1-167.6-65.6-174.2177.5-175.90114.2
531V29.1Very low31.5Very low119 Ų119136.6 Ų136.672%0.72176%0.76SS**  cis129145.53.4158.50000109.2
532D24.6Very low32Very low147 Ų147133.2 Ų133.279%0.78675%0.75SS**  trans72.8157.1-179.8-61.3-33000118.7
533V29.1Very low32.4Very low110 Ų110131.7 Ų131.767%0.66774%0.738SS**  -170.1111.9-52.5129.30000109.6
534T28.1Very low32Very low138 Ų138136.4 Ų136.485%0.84774%0.741SS**  trans59.2173.5164.272.60000116.7
535S29.7Very low32.3Very low87 Ų87142.2 Ų142.261%0.60875%0.746SS**  cis-157.6150.45.388.30000113.2
536T32.2Very low32.2Very low124 Ų124139.3 Ų139.376%0.76174%0.741SS**  trans67.3168.5151.872.40000119.8
537Q34.9Very low31.6Very low150 Ų150140 Ų14070%0.70174%0.742SS**  cis-155.4157.214.1-144.5-173.122.100114.3
538K34.5Very low31.7Very low142 Ų142138.7 Ų138.762%0.61774%0.742SS**  trans68.4152159.1-73.2157.2169.5-83.30118.6
539E30.2Very low31.6Very low144 Ų144135.2 Ų135.267%0.67374%0.736SS**  cis-152.2139.1-5.6-125.3144.5-167.400109.4
540A37.4Very low31.6Very low94 Ų94137.9 Ų137.978%0.77775%0.745SS**  67.6142.510300000116.7
541E38.3Very low31.8Very low169 Ų169133.7 Ų133.779%0.7974%0.737SS**  cis-169.2-169.8-13.9-144.1-164.4-175.400107.1
542N38.4Very low31.7Very low107 Ų107133.1 Ų133.157%0.57274%0.738SS**  cis-163.3175.2-2.3-164.4-34.2000108.7
543Q37.1Very low32Very low134 Ų134130.9 Ų130.963%0.62673%0.734SS**  trans77.9142.6160.1-55.1-16943.900119
544R31.1Very low32.1Very low215 Ų215130.8 Ų130.881%0.81174%0.738SS**  cis-162.4175-9.4-114173.5-171.9168.1-5.3111.4
545R33.8Very low32.5Very low233 Ų233136 Ų13688%0.87974%0.742SS**  trans73.3119.7-171.1-74.3-173.4170.5-170.2-3.2113.5
546V32.3Very low32.3Very low127 Ų127137.6 Ų137.677%0.7775%0.753SS**  cis72.5119.422.7-157.90000111.4
547V30.2Very low32.2Very low126 Ų126136.4 Ų136.476%0.76475%0.75SS**  -146.7156.962.3169.40000113.7
548T29.7Very low32Very low130 Ų130138 Ų13880%0.79876%0.757SS**  trans-34.8165.4173.4570000119.2
549G28.3Very low31.5Very low73 Ų73139.4 Ų139.475%0.75377%0.768SS**  cis116.8159.714.300000111.9
550S28.3Very low31.7Very low116 Ų116138.3 Ų138.381%0.81178%0.776SS**  cis-172.3-175.9-3.7-1650000111.8
551V30Very low31.5Very low122 Ų122137.7 Ų137.774%0.73977%0.767SS**  trans73.3133.8162-141.10000122.1
552S28.4Very low31.2Very low107 Ų107135.1 Ų135.175%0.74877%0.767SS**  trans62.1158.4148.252.40000121.1
553S30.5Very low31.6Very low100 Ų100139.2 Ų139.270%0.69978%0.78SS**  cis-168.1178.9-27.365.70000109.9
554S29.8Very low32.3Very low108 Ų108140.5 Ų140.576%0.75579%0.791SS**  trans69.3110.6150.4-54.20000120.7
555R36.8Very low33.6Very low249 Ų249141 Ų14194%0.9479%0.793SS**  trans-7.3128.1154.9-61.5171.2171.4176.9-4.3118.6
556S26.9Very low34.9Very low120 Ų120135.1 Ų135.184%0.83979%0.785SS**  trans-157.6176.9134.956.30000112.1
557S29.5Very low36.9Very low98 Ų98132.9 Ų132.969%0.68577%0.768SS**  trans-55.4161.3-173.243.90000118.3
558E29.6Very low39Very low184 Ų184129.8 Ų129.886%0.8675%0.752SS**  trans69.2118.9157.4-71.8170-167.500119.4
559M26Very low40.3Very low172 Ų172126.9 Ų126.985%0.84774%0.741SS**  trans-117.199.1155.4-86.8-161.472.900110.2
560S34.2Very low42.1Very low120 Ų120132.6 Ų132.684%0.83974%0.74SS**  trans-92.5118.4151.358.80000108.8
561S31.5Very low44.4Very low82 Ų82131.7 Ų131.757%0.57372%0.723SS**  trans-146.7120.1169.162.50000112.5
562S33.1Very low46.8Very low115 Ų115133.1 Ų133.180%0.80472%0.715SS**  trans42.1104.5151.459.50000118.2
563K45.8Very low48.9Very low192 Ų192137.2 Ų137.284%0.83571%0.714SS**  trans-63.3-173.9143.2-65.5173.4-179.1172.50109.6
564D51.7Low50.9Low161 Ų161140.9 Ų140.986%0.86171%0.713SS**  trans81.151.9167.8-49.1-26.5000117
565R60.2Low52.9Low227 Ų227139.7 Ų139.786%0.85770%0.697SS**  trans-110.1127.1140-173.5178.7-176.6172.43.6109.2L567R565-L567 PolarHBondContact O-N 3.46Å
566P61Low54.6Low108 Ų108133.7 Ų133.770%0.70168%0.678SS**PPolyproline II helixtrans-66.3125.317725.8-33.3000110.9
567L73.4Confident56.4Low80 Ų80133.5 Ų133.542%0.41966%0.664SS.*PPolyproline II helixtrans-58.4137.8-176.5-66.9172000112.7R565 E571 R572 L575R565-L567 PolarHBondContact O-N 3.46Å; L567-E571 HydrophobicContact CB-CB 4.27Å; L567-E571 HydrophobicContact CD2-CB 4.26Å; L567-R572 HydrophobicContact CB-CG 3.89Å; L567-R572 PolarHBondContact O-NE 3.31Å; L567-R572 PolarHBondContact O-NH2 3.12Å; L567-L575 HydrophobicContact CD1-CD1 3.53Å
568S73.6Confident57.9Low62 Ų62131.7 Ų131.743%0.43465%0.651SS.*PPolyproline II helixtrans-58149.4172.8176.10000111.7R570 E571 R572S568-R570 PolarHBondContact O-N 3.21Å; S568-R570 PolarHBondContact OG-N 3.45Å; S568-E571 WeakPolarHBondContact CB-OE2 3.48Å; S568-E571 PolarHBondContact N-OE2 3.45Å; S568-E571 WeakPolarHBondContact O-CB 3.19Å; S568-E571 PolarHBondContact O-N 3.38Å; S568-R572 WeakPolarHBondContact O-CG 3.3Å; S568-R572 PolarHBondContact O-N 3.33Å
569A58.1Low58.9Low68 Ų68129.1 Ų129.156%0.56264%0.639SS**Hα-helixtrans-55.8-25.7173.600000113.2R573A569-R573 WeakPolarHBondContact O-CG 3.29Å; A569-R573 PolarHBondContact O-N 2.63Å
570R66.3Low60.1Low193 Ų193125.9 Ų125.973%0.72862%0.622SS**Hα-helixtrans-77.7-32.9174.7-163.9174.3-171.1171.52.7112.9S568 R574S568-R570 PolarHBondContact O-N 3.21Å; S568-R570 PolarHBondContact OG-N 3.45Å; R570-R574 PolarHBondContact O-N 2.84Å
571E76.9Confident60.6Low97 Ų97126.7 Ų126.745%0.45361%0.613SS.*Hα-helixtrans-75.3-44.1177-66.6164.715100110.6L567 S568 R573 R574 L575L567-E571 HydrophobicContact CB-CB 4.27Å; L567-E571 HydrophobicContact CD2-CB 4.26Å; S568-E571 WeakPolarHBondContact CB-OE2 3.48Å; S568-E571 PolarHBondContact N-OE2 3.45Å; S568-E571 WeakPolarHBondContact O-CB 3.19Å; S568-E571 PolarHBondContact O-N 3.38Å; E571-R573 VanDerWaalsContact C-N 3.27Å; E571-R573 PolarHBondContact O-N 2.85Å; E571-R574 PolarHBondContact O-N 2.96Å; E571-R574 VanDerWaalsContact O-N 3.12Å; E571-L575 PolarHBondContact O-N 2.71Å
572R78.9Confident61Low152 Ų152130.9 Ų130.957%0.57463%0.625SS**Hα-helixtrans-56.6-39.2174.4-64.2-176.6-165.1-144.62.2112.5L567 S568 K576L567-R572 HydrophobicContact CB-CG 3.89Å; L567-R572 PolarHBondContact O-NE 3.31Å; L567-R572 PolarHBondContact O-NH2 3.12Å; S568-R572 WeakPolarHBondContact O-CG 3.3Å; S568-R572 PolarHBondContact O-N 3.33Å; R572-K576 PolarHBondContact O-N 3.42Å; R572-K576 VanDerWaalsContact O-N 3.08Å
573R72.5Confident61.3Low193 Ų193129.9 Ų129.973%0.72862%0.618SS**Hα-helixtrans-65.2-46.3174.5-74.9177.3-172.8-178.43.1112.3A569 E571 K576 Q577A569-R573 WeakPolarHBondContact O-CG 3.29Å; A569-R573 PolarHBondContact O-N 2.63Å; E571-R573 VanDerWaalsContact C-N 3.27Å; E571-R573 PolarHBondContact O-N 2.85Å; R573-K576 PolarHBondContact O-N 3.09Å; R573-Q577 WeakPolarHBondContact O-CB 3.48Å; R573-Q577 PolarHBondContact O-N 3.3Å
574R73.7Confident61Low178 Ų178125.6 Ų125.667%0.67261%0.612SS**Hα-helixtrans-60.1-44.9175.4-82.2-178.2162.1178.6-7.6112.1R570 E571 Q577 S578R570-R574 PolarHBondContact O-N 2.84Å; E571-R574 PolarHBondContact O-N 2.96Å; E571-R574 VanDerWaalsContact O-N 3.12Å; R574-Q577 PolarHBondContact O-N 3.13Å; R574-S578 PolarHBondContact O-N 2.96Å; R574-S578 PolarHBondContact O-OG 3.33Å
575L71.8Confident60.1Low82 Ų82123.7 Ų123.743%0.42961%0.612SS.*Hα-helixtrans-61-45.3178.6-107.2159.9000112.3L567 E571 S578 Q579L567-L575 HydrophobicContact CD1-CD1 3.53Å; E571-L575 PolarHBondContact O-N 2.71Å; L575-S578 WeakPolarHBondContact CA-OG 3.29Å; L575-S578 PolarHBondContact O-N 2.94Å; L575-S578 PolarHBondContact O-OG 2.76Å; L575-Q579 WeakPolarHBondContact O-CG 3.24Å; L575-Q579 PolarHBondContact O-N 2.87Å
576K72.4Confident59Low124 Ų124116.3 Ų116.354%0.53961%0.606SS.*Hα-helixtrans-62.3-45.8176.1-168.9170.2-169-81.90111.8R572 R573 S578 Q579 E580R572-K576 PolarHBondContact O-N 3.42Å; R572-K576 VanDerWaalsContact O-N 3.08Å; R573-K576 PolarHBondContact O-N 3.09Å; K576-S578 VanDerWaalsContact C-N 3.33Å; K576-S578 PolarHBondContact O-N 3.45Å; K576-Q579 PolarHBondContact O-N 3.02Å; K576-Q579 VanDerWaalsContact O-N 3.1Å; K576-E580 WeakPolarHBondContact CE-OE1 3.36Å; K576-E580 IonicContact NZ-OE1 3.87Å; K576-E580 PolarHBondContact NZ-OE1 3.2Å; K576-E580 IonicContact NZ-OE2 3.81Å; K576-E580 PolarHBondContact O-N 3.32Å
577Q64.5Low57.7Low116 Ų116117.6 Ų117.654%0.54261%0.614SS.*Hα-helixtrans-60.7-41.6177.9-167168.2200111.8R573 R574 Q579 E580 E581R573-Q577 WeakPolarHBondContact O-CB 3.48Å; R573-Q577 PolarHBondContact O-N 3.3Å; R574-Q577 PolarHBondContact O-N 3.13Å; Q577-Q579 VanDerWaalsContact C-N 3.34Å; Q577-Q579 PolarHBondContact O-N 2.67Å; Q577-E580 PolarHBondContact O-N 2.7Å; Q577-E581 PolarHBondContact O-N 2.65Å
578S60Low55.7Low60 Ų60119.1 Ų119.142%0.4263%0.632SS.*Hα-helixtrans-68.9-24.8174.959.60000114.6R574 L575 K576 M582R574-S578 PolarHBondContact O-N 2.96Å; R574-S578 PolarHBondContact O-OG 3.33Å; L575-S578 WeakPolarHBondContact CA-OG 3.29Å; L575-S578 PolarHBondContact O-N 2.94Å; L575-S578 PolarHBondContact O-OG 2.76Å; K576-S578 VanDerWaalsContact C-N 3.33Å; K576-S578 PolarHBondContact O-N 3.45Å; S578-M582 WeakPolarHBondContact O-CB 3.5Å; S578-M582 PolarHBondContact O-N 3.46Å
579Q52.5Low53.7Low129 Ų129121.9 Ų121.960%0.60365%0.646SS**Hα-helixtrans-78.7-34.9174.3-75.9-178.6-32.400112.1L575 K576 Q577 S583L575-Q579 WeakPolarHBondContact O-CG 3.24Å; L575-Q579 PolarHBondContact O-N 2.87Å; K576-Q579 PolarHBondContact O-N 3.02Å; K576-Q579 VanDerWaalsContact O-N 3.1Å; Q577-Q579 VanDerWaalsContact C-N 3.34Å; Q577-Q579 PolarHBondContact O-N 2.67Å; Q579-S583 PolarHBondContact O-OG 2.83Å
580E49.5Very low52.3Low105 Ų105128.9 Ų128.949%0.49166%0.658SS.*Hα-helixtrans-70.6-38176.1-71170168.800111.3K576 Q577 S583K576-E580 WeakPolarHBondContact CE-OE1 3.36Å; K576-E580 IonicContact NZ-OE1 3.87Å; K576-E580 PolarHBondContact NZ-OE1 3.2Å; K576-E580 IonicContact NZ-OE2 3.81Å; K576-E580 PolarHBondContact O-N 3.32Å; Q577-E580 PolarHBondContact O-N 2.7Å; E580-S583 PolarHBondContact O-N 2.84Å; E580-S583 PolarHBondContact O-OG 3.4Å
581E46Very low50.4Low137 Ų137129.1 Ų129.164%0.6466%0.664SS**Hα-helixtrans-68.1-34.7173.7-73.6173.6-168.200112.9Q577 S583 S584Q577-E581 PolarHBondContact O-N 2.65Å; E581-S583 PolarHBondContact O-N 2.82Å; E581-S584 PolarHBondContact O-OG 3.08Å
582M39.9Very low48Very low169 Ų169128.9 Ų128.983%0.83368%0.679SS**THydrogen-bonded Turntrans-69.4-13.2179.5-148.776.2170.900114.2S578S578-M582 WeakPolarHBondContact O-CB 3.5Å; S578-M582 PolarHBondContact O-N 3.46Å
583S39.3Very low45.7Very low95 Ų95126.7 Ų126.766%0.66469%0.686SS**THydrogen-bonded Turntrans-11432.4-169.648.60000114.1Q579 E580 E581Q579-S583 PolarHBondContact O-OG 2.83Å; E580-S583 PolarHBondContact O-N 2.84Å; E580-S583 PolarHBondContact O-OG 3.4Å; E581-S583 PolarHBondContact O-N 2.82Å
584S39Very low43.7Very low102 Ų102125.4 Ų125.471%0.71369%0.693SS**  trans-133.448.1178.159.60000114.9E581E581-S584 PolarHBondContact O-OG 3.08Å
585S32.2Very low41.7Very low121 Ų121121.3 Ų121.385%0.84669%0.692SS**  trans-129.7136.7162.872.70000111.4
586G37.1Very low39.7Very low72 Ų72124.1 Ų124.174%0.74271%0.712SS**  trans-153.3121.7-176.200000111.7
587P35.1Very low37.6Very low134 Ų134122.6 Ų122.687%0.8772%0.722SS**  trans-88.4141.9176.833.8-32.5000112.1
588S30.2Very low35.8Very low112 Ų112120.4 Ų120.478%0.78373%0.732SS**  trans-90.8146.9163.7173.90000109.9
589V31.4Very low35.2Very low120 Ų120124.2 Ų124.273%0.72776%0.755SS**  trans175.6120.4138.9144.60000114.7
590R28.6Very low33.9Very low215 Ų215121.8 Ų121.881%0.81176%0.764SS**  trans51.9131.3142.7-58.5176.2179.7164.2-0.8125
591K27.5Very low33Very low199 Ų199126 Ų12687%0.86578%0.781SS**  trans65.7101.6132.3-72.5-168.7170.9-169.10122.7
592A26.9Very low32.9Very low92 Ų92124.2 Ų124.276%0.7678%0.781SS**  32.4136.5115.700000123.1
593S29.1Very low32.6Very low105 Ų105123.3 Ų123.373%0.73478%0.775SS**  175.8146.1111-74.30000114.9
594L31.1Very low32.2Very low167 Ų167125 Ų12587%0.87477%0.772SS**  trans64.4156.7156-63156.4000119.1
595S30.8Very low31.9Very low92 Ų92128.1 Ų128.164%0.64378%0.775SS**  cis-174.7-178.9-2956.60000111.1
596V30Very low31.7Very low140 Ų140129.3 Ų129.385%0.84877%0.772SS**  trans79134.5169.7-178.30000116.1
597A28.5Very low31.4Very low92 Ų92134 Ų13476%0.7678%0.775SS**  cis-161.5172.9-19.700000111.6
598G26.4Very low32Very low71 Ų71133.2 Ų133.273%0.73277%0.77SS**  trans-84.3-159174.300000114.3
599P47.7Very low32.1Very low140 Ų140135.3 Ų135.391%0.90977%0.772SS**  cis-123.6-172.130.542.4-27.9000114
600G25.2Very low33Very low77 Ų77135.6 Ų135.679%0.79478%0.776SS**  cis-163.4-165.89.100000115.1
601K30.8Very low33.1Very low193 Ų193129.7 Ų129.784%0.83977%0.773SS**  trans-150.7165.2-170.7-143.7-174.5-176.3-171.20110.1
602P45.1Very low33.1Very low101 Ų101130.1 Ų130.166%0.65677%0.77SS**  -147.414692.439.8-22.5000114.9
603Q32.2Very low33.2Very low149 Ų149135 Ų13570%0.69677%0.768SS**  82151.8110.7-72.3162.7-102.800114.3
604E31.7Very low33.1Very low131 Ų131137.9 Ų137.961%0.61278%0.775SS**  cis-150.2158.217.9-151.2126.6-111.500113.1
605E31.7Very low33Very low167 Ų167134.8 Ų134.878%0.7877%0.767SS**  trans27154.1148.2-73.1167.7-177.400124.2
606D27.6Very low32.8Very low146 Ų146135.9 Ų135.978%0.78178%0.775SS**  cis-153.5-174.42.2-145.7-17.2000114.9
607Q31.9Very low32.7Very low170 Ų170136.9 Ų136.979%0.79478%0.775SS**  trans-108.3-168.3-179.6-85-163.944.200113.3
608P48.2Very low32.5Very low119 Ų119138.9 Ų138.977%0.77378%0.782SS**  cis-139-170.5643.5-22.9000118.2
609L31.4Very low32.6Very low155 Ų155140.2 Ų140.281%0.81278%0.78SS**  trans-90.1179.8175.3-64.3167.7000113.6
610P49.8Very low31.7Very low126 Ų126139.6 Ų139.682%0.81877%0.774SS**  -152.813410336.4-17.6000119.8
611A31.2Very low31.8Very low92 Ų92141.9 Ų141.976%0.7677%0.772SS**  trans44.1136.7133.300000125.5
612R28.4Very low31.6Very low208 Ų208140 Ų14079%0.78577%0.766SS**  -174.2129.9116.9-109.6179.6172.6-178.11.7117.5
613R28.4Very low30.7Very low195 Ų195140.3 Ų140.374%0.73676%0.759SS**  trans58.8142.6156.9-41.5-170.6-157-122.310.7117.9
614L26.3Very low30.4Very low165 Ų165142 Ų14286%0.86476%0.759SS**  cis70.7138.733.8-57.6174.4000114.4
615S29Very low30.1Very low102 Ų102143.9 Ų143.971%0.71377%0.765SS**  cis-175.3148.5-12.4166.40000109
616S27.6Very low29.8Very low115 Ų115142.5 Ų142.580%0.80476%0.759SS**  trans-175.7121.9147.158.50000113.5
617D28.7Very low29.7Very low161 Ų161142 Ų14286%0.86176%0.755SS**  trans-104.6155.3164.3-62.7-73.4000110.8
618C24.1Very low29.3Very low134 Ų134142.1 Ų142.191%0.90576%0.755SS**  trans-165.9168.7139.6-149.90000111.8
619S28.5Very low28.1Very low99 Ų99140.6 Ų140.669%0.69275%0.746SS**  trans-150.9155.3-157.358.70000116.7
620V28.6Very low27.7Very low127 Ų127141.2 Ų141.277%0.7775%0.75SS**  trans62.4124.8146.2171.90000121.7
621T25.9Very low26.6Very low124 Ų124139.8 Ų139.876%0.76174%0.742SS**  trans-157129.1130.436.30000108
622Q27.9Very low26.5Very low153 Ų153143.9 Ų143.972%0.71575%0.746SS**  58.9132.881.7-94.4-162.5-6200113.4
623E24.9Very low26.5Very low109 Ų109141 Ų14151%0.50975%0.746SS.*  cis-157.3178.39.9-82.9-146.5134.900110.2
624R26.8Very low26.7Very low183 Ų183138.9 Ų138.969%0.69174%0.744SS**  cis-164167.4-5.3-126.2178.2-172.6140.2-0.3110.7
625K26.2Very low26.9Very low171 Ų171137.2 Ų137.274%0.74374%0.736SS**  trans67.1153.5148.8-76-177.9170.6-175.40119.4
626Q24.9Very low26.8Very low138 Ų138137.2 Ų137.265%0.64574%0.736SS**  cis-169.1121.2-16.1175.4162.9-1.800114
627I24.9Very low26.8Very low136 Ų136137.2 Ų137.270%0.69774%0.735SS**  trans65131.5145.2-68.5171.9000122.6
628H22.8Very low26.9Very low172 Ų172134.9 Ų134.980%0.79673%0.732SS**  trans61.6162158.6-91.5-138.6000119.6
629C23.1Very low27.2Very low88 Ų88135.2 Ų135.260%0.59573%0.73SS**  cis167.1154-36.2-96.40000107
630L24.6Very low27.3Very low168 Ų168135.7 Ų135.788%0.8873%0.733SS**  trans68.4153.2177.9-46179000114
631S25.1Very low27.6Very low95 Ų95134.4 Ų134.466%0.66473%0.73SS**  cis-167142.4-23.547.40000109.6
632E29.2Very low28.2Very low178 Ų178135.5 Ų135.583%0.83274%0.736SS**  trans52147.1152.4-60.3-172.1135.700122.4
633D29.7Very low28.4Very low147 Ų147134.4 Ų134.479%0.78674%0.736SS**  trans81.5144.6148.8-74.9-5.8000125.4
634E32.7Very low29.1Very low152 Ų152138.9 Ų138.971%0.7175%0.753SS**  trans76.2121.5153.3-73.8-73.679.300123.5
635L28.7Very low29.7Very low130 Ų130134.9 Ų134.968%0.68175%0.753SS**  trans72107.5144.3-58.2171.8000122.6
636S27.4Very low30.2Very low102 Ų102134.3 Ų134.371%0.71376%0.759SS**  41.5109.7118.8-54.90000120.9
637S29.1Very low30.9Very low114 Ų114130.6 Ų130.680%0.79776%0.757SS**  174.4139105.6-77.30000115.9
638S30.6Very low31.5Very low112 Ų112128.7 Ų128.778%0.78375%0.748SS**  trans18.1121.9145.6-53.10000122.3
639T30.4Very low32.2Very low142 Ų142131.2 Ų131.287%0.87175%0.752SS**  -161.812112813.30000108.5
640S29.5Very low33.1Very low109 Ų109129.6 Ų129.676%0.76275%0.75SS**  69.384.591.2-171.40000115.9
641S34.2Very low34.1Very low99 Ų99125.7 Ų125.769%0.69273%0.728SS**  51.4124.3128.8-1630000121.1
642T38.7Very low35.1Very low147 Ų147123.1 Ų123.190%0.90272%0.716SS**  -148.7146.2118.9-4.80000110.6
643D33.9Very low36.3Very low130 Ų130122.5 Ų122.570%0.69571%0.711SS**  trans-80.4146.2-170.7-131.9-52.8000113.3S645D643-S645 PolarHBondContact OD1-N 3.19Å
644K37.7Very low37.7Very low203 Ų203117.2 Ų117.288%0.88369%0.691SS**  trans-142.290.3143.7-78.6-152.9174.1-172.80109.2D646K644-D646 PolarHBondContact O-N 3.13Å
645S39.8Very low39Very low99 Ų99113 Ų11369%0.69267%0.671SS**  trans-64.8112.7169.5-175.50000111.1D643D643-S645 PolarHBondContact OD1-N 3.19Å
646D37.5Very low41Very low160 Ų160110.3 Ų110.386%0.85666%0.66SS**  trans-99131.4154.4-88.6-44.1000108K644 D648K644-D646 PolarHBondContact O-N 3.13Å; D646-D648 PolarHBondContact O-N 2.89Å
647G39.2Very low43.6Very low59 Ų59110.3 Ų110.361%0.60865%0.653SS**  trans-73111.4-153.100000117.4Y649G647-Y649 VanDerWaalsContact C-N 3.31Å; G647-Y649 PolarHBondContact O-N 2.92Å; G647-Y649 VanDerWaalsContact O-N 3.17Å
648D38.3Very low46.3Very low96 Ų96107.7 Ų107.751%0.51363%0.628SS.*  trans-84.266.5163.2-174.310.5000112D646 G650 E651D646-D648 PolarHBondContact O-N 2.89Å; D648-G650 VanDerWaalsContact C-N 3.31Å; D648-E651 WeakPolarHBondContact OD1-CB 3.1Å; D648-E651 PolarHBondContact OD1-N 2.77Å
649Y36.3Very low49Very low225 Ų225105.4 Ų105.488%0.88261%0.606SS**  trans-90.57.2173-76-77.9000113.4G647G647-Y649 VanDerWaalsContact C-N 3.31Å; G647-Y649 PolarHBondContact O-N 2.92Å; G647-Y649 VanDerWaalsContact O-N 3.17Å
650G43.1Very low51.8Low54 Ų54102.3 Ų102.356%0.55758%0.584SS**SBendtrans-109.4-40.8-175.500000114.7D648D648-G650 VanDerWaalsContact C-N 3.31Å
651E46.1Very low54.6Low87 Ų8798.7 Ų98.741%0.40756%0.561SS.*THydrogen-bonded Turntrans-81.4-28.2-159.4-155.9171.7-83.300113.9R141 D648 K653 G654 Q655R141-E651 IonicContact CZ-OE2 3.6Å; R141-E651 IonicContact NH1-OE2 2.68Å; R141-E651 PolarHBondContact NH1-OE2 3.31Å; D648-E651 WeakPolarHBondContact OD1-CB 3.1Å; D648-E651 PolarHBondContact OD1-N 2.77Å; E651-K653 VanDerWaalsContact C-N 3.25Å; E651-K653 PolarHBondContact O-N 2.88Å; E651-G654 WeakPolarHBondContact O-CA 3.24Å; E651-G654 PolarHBondContact O-N 3.34Å; E651-Q655 PolarHBondContact O-N 2.76Å; E651-Q655 VanDerWaalsContact O-N 3.14Å
652G45.8Very low57.4Low41 Ų4194.3 Ų94.342%0.42353%0.53SS..Hα-helixtrans-56.6-34.2177.900000114.2G654 T656G652-G654 VanDerWaalsContact C-N 3.34Å; G652-T656 PolarHBondContact O-N 3.25Å; G652-T656 PolarHBondContact O-OG1 3.14Å
653K53.3Low59.9Low164 Ų16489 Ų8971%0.71350%0.497SS*.Hα-helixtrans-71.2-27173.6-71.3-178.5178.61760112.9E651 T656 N657E651-K653 VanDerWaalsContact C-N 3.25Å; E651-K653 PolarHBondContact O-N 2.88Å; K653-T656 PolarHBondContact O-OG1 2.86Å; K653-T656 VanDerWaalsContact O-OG1 3.1Å; K653-N657 PolarHBondContact O-ND2 3.28Å; K653-N657 PolarHBondContact O-OD1 3.14Å
654G59Low62.7Low36 Ų3689.6 Ų89.637%0.37150%0.496SS..Hα-helixtrans-70.6-46.8174.800000111.5E651 G652 T656 N657 E658E651-G654 WeakPolarHBondContact O-CA 3.24Å; E651-G654 PolarHBondContact O-N 3.34Å; G652-G654 VanDerWaalsContact C-N 3.34Å; G654-T656 PolarHBondContact O-N 3.22Å; G654-N657 PolarHBondContact O-N 2.87Å; G654-E658 PolarHBondContact O-N 3.39Å; G654-E658 VanDerWaalsContact O-N 3.08Å
655Q60.6Low65.3Low63 Ų6381.5 Ų81.529%0.29446%0.462SS..Hα-helixtrans-61.3-42.2-176.8-63.2173.819.400112.4T142 E651 N657 I659T142-Q655 HydrophobicContact CG2-CB 3.84Å; T142-Q655 HydrophobicContact CG2-CG 3.86Å; E651-Q655 PolarHBondContact O-N 2.76Å; E651-Q655 VanDerWaalsContact O-N 3.14Å; Q655-N657 VanDerWaalsContact C-N 3.3Å; Q655-N657 PolarHBondContact O-N 3.46Å; Q655-I659 WeakPolarHBondContact O-CG1 3.39Å; Q655-I659 PolarHBondContact O-N 2.64Å
656T70.5Confident67.8Low74 Ų7476.9 Ų76.945%0.45443%0.429SS..Hα-helixtrans-63-36.8173.550.90000112.4G652 K653 G654 N660G652-T656 PolarHBondContact O-N 3.25Å; G652-T656 PolarHBondContact O-OG1 3.14Å; K653-T656 PolarHBondContact O-OG1 2.86Å; K653-T656 VanDerWaalsContact O-OG1 3.1Å; G654-T656 PolarHBondContact O-N 3.22Å; T656-N660 VanDerWaalsContact O-CB 3.32Å; T656-N660 WeakPolarHBondContact O-CB 3.39Å; T656-N660 PolarHBondContact O-N 3Å; T656-N660 PolarHBondContact O-ND2 3.26Å
657N82.6Confident70.4Confident103 Ų10371.4 Ų71.455%0.55140%0.402SS*.Hα-helixtrans-73.5-37.3-175.5-70.1-2.9000112.5K653 G654 Q655 A661K653-N657 PolarHBondContact O-ND2 3.28Å; K653-N657 PolarHBondContact O-OD1 3.14Å; G654-N657 PolarHBondContact O-N 2.87Å; Q655-N657 VanDerWaalsContact C-N 3.3Å; Q655-N657 PolarHBondContact O-N 3.46Å; N657-A661 WeakPolarHBondContact O-CB 3.41Å; N657-A661 PolarHBondContact O-N 3.45Å
658E85.5Confident72.8Confident58 Ų5874.7 Ų74.727%0.27140%0.401SS..Hα-helixtrans-66.5-41.5174.3-63.4-160.4124.800112.3T142 I144 K146 G654 A661 L662T142-E658 PolarHBondContact OG1-OE2 3.28Å; I144-E658 HydrophobicContact CD1-CB 3.49Å; I144-E658 VanDerWaalsContact CD1-CB 3.49Å; K146-E658 IonicContact NZ-OE1 3.7Å; G654-E658 PolarHBondContact O-N 3.39Å; G654-E658 VanDerWaalsContact O-N 3.08Å; E658-A661 PolarHBondContact O-N 3.2Å; E658-L662 PolarHBondContact O-N 3.16Å
659I87.3Confident75.2Confident65 Ų6570.6 Ų70.633%0.33338%0.38SS..Hα-helixtrans-65.8-41.8177.4-64.2170.4000110.3I144 Q655 A661 L662 V663I144-I659 HydrophobicContact CD1-CG1 4.15Å; Q655-I659 WeakPolarHBondContact O-CG1 3.39Å; Q655-I659 PolarHBondContact O-N 2.64Å; I659-A661 VanDerWaalsContact C-N 3.33Å; I659-A661 PolarHBondContact O-N 3Å; I659-L662 PolarHBondContact O-N 3.06Å; I659-V663 WeakPolarHBondContact O-CG2 3.41Å; I659-V663 PolarHBondContact O-N 2.9Å
660N88.5Confident77.7Confident77 Ų7762 Ų6241%0.41235%0.349SS..Hα-helixtrans-62.4-39173.9-73.4-21.6000112.1T656 V663 Q664T656-N660 VanDerWaalsContact O-CB 3.32Å; T656-N660 WeakPolarHBondContact O-CB 3.39Å; T656-N660 PolarHBondContact O-N 3Å; T656-N660 PolarHBondContact O-ND2 3.26Å; N660-V663 PolarHBondContact O-N 3.08Å; N660-Q664 VanDerWaalsContact O-CG 3.32Å; N660-Q664 WeakPolarHBondContact O-CG 3.24Å; N660-Q664 PolarHBondContact O-N 2.96Å
661A89.8Confident79.7Confident33 Ų3365.9 Ų65.927%0.27335%0.351SS..Hα-helixtrans-65.5-37.7174.300000112.2L63 N657 E658 I659 Q664 L665L63-A661 HydrophobicContact CD1-CB 4.08Å; L63-A661 HydrophobicContact CD2-CB 3.95Å; N657-A661 WeakPolarHBondContact O-CB 3.41Å; N657-A661 PolarHBondContact O-N 3.45Å; E658-A661 PolarHBondContact O-N 3.2Å; I659-A661 VanDerWaalsContact C-N 3.33Å; I659-A661 PolarHBondContact O-N 3Å; A661-Q664 PolarHBondContact O-N 3.39Å; A661-L665 WeakPolarHBondContact O-CB 3.36Å; A661-L665 PolarHBondContact O-N 2.9Å
662L92.1Very high80.9Confident6 Ų663.4 Ų63.43%0.03134%0.34CS..Hα-helixtrans-65.9-43.7175.1-179.359.1000111.4L63 Q114 M117 I144 F268 E658 I659 Q664 L665 M666L63-L662 VanDerWaalsContact CD2-CA 3.4Å; L63-L662 HydrophobicContact CD2-CB 3.71Å; L63-L662 HydrophobicContact CD2-CD1 4.25Å; L63-L662 VanDerWaalsContact CD2-N 3.27Å; Q114-L662 HydrophobicContact CG-CD1 3.85Å; M117-L662 HydrophobicContact CE-CD1 4.03Å; I144-L662 HydrophobicContact CG1-CD2 4.2Å; F268-L662 HydrophobicContact CE1-CD2 4.33Å; F268-L662 HydrophobicContact CE1-CG 4.33Å; F268-L662 HydrophobicContact CZ-CD2 3.85Å; F268-L662 HydrophobicContact CZ-CG 4.35Å; E658-L662 PolarHBondContact O-N 3.16Å; I659-L662 PolarHBondContact O-N 3.06Å; L662-Q664 VanDerWaalsContact C-N 3.33Å; L662-Q664 PolarHBondContact O-N 3.38Å; L662-L665 PolarHBondContact O-N 2.93Å; L662-M666 HydrophobicContact CD1-CG 3.97Å; L662-M666 HydrophobicContact CD1-SD 3.68Å; L662-M666 HydrophobicContact CD2-SD 4.41Å; L662-M666 HydrophobicContact CG-CG 4.45Å; L662-M666 HydrophobicContact CG-SD 3.79Å; L662-M666 WeakPolarHBondContact O-CB 3.27Å; L662-M666 WeakPolarHBondContact O-CG 3.45Å; L662-M666 PolarHBondContact O-N 2.57Å
663V91.6Very high81.4Confident37 Ų3765 Ų6522%0.22434%0.339CS..Hα-helixtrans-59.5-42.8173.9165.60000111.2F268 L269 T272 I659 N660 T667F268-V663 HydrophobicContact CE1-CG2 4.34Å; L269-V663 HydrophobicContact CD2-CB 4.22Å; L269-V663 HydrophobicContact CD2-CG1 3.87Å; L269-V663 HydrophobicContact CD2-CG2 4.35Å; L269-V663 WeakPolarHBondContact CD2-O 3.45Å; T272-V663 HydrophobicContact CG2-CG2 4.28Å; I659-V663 WeakPolarHBondContact O-CG2 3.41Å; I659-V663 PolarHBondContact O-N 2.9Å; N660-V663 PolarHBondContact O-N 3.08Å; V663-T667 VanDerWaalsContact O-CB 3.23Å; V663-T667 WeakPolarHBondContact O-CB 3.47Å; V663-T667 PolarHBondContact O-N 2.79Å; V663-T667 PolarHBondContact O-OG1 3.09Å
664Q91.9Very high81.2Confident142 Ų14261.8 Ų61.866%0.66434%0.337SS*.Hα-helixtrans-63.8-47.7174.9-74.6174.1300112.2N660 A661 L662 T667 Q668N660-Q664 VanDerWaalsContact O-CG 3.32Å; N660-Q664 WeakPolarHBondContact O-CG 3.24Å; N660-Q664 PolarHBondContact O-N 2.96Å; A661-Q664 PolarHBondContact O-N 3.39Å; L662-Q664 VanDerWaalsContact C-N 3.33Å; L662-Q664 PolarHBondContact O-N 3.38Å; Q664-T667 WeakPolarHBondContact O-CB 3.41Å; Q664-T667 PolarHBondContact O-N 3.26Å; Q664-Q668 PolarHBondContact O-N 3.32Å
665L92.1Very high80.5Confident32 Ų3269.6 Ų69.617%0.16836%0.361CS..Hα-helixtrans-61.2-49.9179.9-17964.3000111.5L63 N64 M117 A661 L662 T667 Q668 T669L63-L665 HydrophobicContact CB-CD2 4.14Å; L63-L665 HydrophobicContact CD2-CD2 4.45Å; N64-L665 WeakPolarHBondContact OD1-CD2 3.46Å; M117-L665 HydrophobicContact CE-CD2 3.87Å; M117-L665 HydrophobicContact CE-CG 4.24Å; M117-L665 HydrophobicContact SD-CD2 3.99Å; M117-L665 HydrophobicContact SD-CG 3.79Å; A661-L665 WeakPolarHBondContact O-CB 3.36Å; A661-L665 PolarHBondContact O-N 2.9Å; L662-L665 PolarHBondContact O-N 2.93Å; L665-T667 VanDerWaalsContact C-N 3.28Å; L665-T667 PolarHBondContact O-N 3.11Å; L665-Q668 CarbonylContact O-C 3.34Å; L665-Q668 WeakPolarHBondContact O-CA 3.3Å; L665-Q668 VanDerWaalsContact O-CB 3.31Å; L665-Q668 WeakPolarHBondContact O-CB 3.49Å; L665-Q668 PolarHBondContact O-N 3.2Å; L665-T669 PolarHBondContact O-N 3.04Å; L665-T669 PolarHBondContact O-OG1 3.09Å; L665-T669 VanDerWaalsContact O-OG1 3.04Å
666M92.3Very high79.7Confident2 Ų271.9 Ų71.91%0.0137%0.371CS..Hα-helixtrans-65.1-32177.5-69.2176.179.500112.2V113 M117 I265 F268 L269 L662 Q668 T669 L670V113-M666 HydrophobicContact CG1-CE 4.16Å; M117-M666 HydrophobicContact CE-CG 3.72Å; M117-M666 HydrophobicContact SD-CG 3.96Å; I265-M666 HydrophobicContact CB-CE 4.4Å; I265-M666 HydrophobicContact CG1-CE 4Å; I265-M666 HydrophobicContact CG2-CB 3.95Å; I265-M666 HydrophobicContact CG2-CE 4.19Å; F268-M666 HydrophobicContact CB-CE 4.14Å; F268-M666 HydrophobicContact CD1-CE 3.61Å; F268-M666 HydrophobicContact CD1-SD 3.53Å; F268-M666 VanDerWaalsContact CD1-SD 3.53Å; F268-M666 HydrophobicContact CE1-CE 4.19Å; F268-M666 HydrophobicContact CE1-SD 3.5Å; F268-M666 VanDerWaalsContact CE1-SD 3.5Å; F268-M666 HydrophobicContact CG-CE 3.9Å; F268-M666 HydrophobicContact CG-SD 4.31Å; F268-M666 HydrophobicContact CZ-SD 4.26Å; L269-M666 HydrophobicContact CD2-CB 4.24Å; L662-M666 HydrophobicContact CD1-CG 3.97Å; L662-M666 HydrophobicContact CD1-SD 3.68Å; L662-M666 HydrophobicContact CD2-SD 4.41Å; L662-M666 HydrophobicContact CG-CG 4.45Å; L662-M666 HydrophobicContact CG-SD 3.79Å; L662-M666 WeakPolarHBondContact O-CB 3.27Å; L662-M666 WeakPolarHBondContact O-CG 3.45Å; L662-M666 PolarHBondContact O-N 2.57Å; M666-Q668 VanDerWaalsContact C-N 3.34Å; M666-T669 PolarHBondContact O-N 3.2Å; M666-L670 PolarHBondContact O-N 3.31Å
667T91.8Very high78.1Confident46 Ų4673.9 Ų73.928%0.28239%0.388SS..Hα-helixtrans-66.9-33.7170.2-60.50000112V663 Q664 L665 K671V663-T667 VanDerWaalsContact O-CB 3.23Å; V663-T667 WeakPolarHBondContact O-CB 3.47Å; V663-T667 PolarHBondContact O-N 2.79Å; V663-T667 PolarHBondContact O-OG1 3.09Å; Q664-T667 WeakPolarHBondContact O-CB 3.41Å; Q664-T667 PolarHBondContact O-N 3.26Å; L665-T667 VanDerWaalsContact C-N 3.28Å; L665-T667 PolarHBondContact O-N 3.11Å; T667-K671 HydrophobicContact CG2-CD 4.49Å; T667-K671 WeakPolarHBondContact O-CG 3.23Å; T667-K671 PolarHBondContact O-N 3.25Å
668Q90.1Very high75.9Confident128 Ų12874.5 Ų74.560%0.59840%0.399SS*.Hα-helixtrans-69.8-40172.8-176.4177.5-8.300111.3Q664 L665 M666 L670 K671 L672Q664-Q668 PolarHBondContact O-N 3.32Å; L665-Q668 CarbonylContact O-C 3.34Å; L665-Q668 WeakPolarHBondContact O-CA 3.3Å; L665-Q668 VanDerWaalsContact O-CB 3.31Å; L665-Q668 WeakPolarHBondContact O-CB 3.49Å; L665-Q668 PolarHBondContact O-N 3.2Å; M666-Q668 VanDerWaalsContact C-N 3.34Å; Q668-L670 VanDerWaalsContact C-N 3.31Å; Q668-L670 PolarHBondContact O-N 3.18Å; Q668-K671 WeakPolarHBondContact O-CA 3.13Å; Q668-K671 WeakPolarHBondContact O-CB 3.23Å; Q668-K671 PolarHBondContact O-N 2.88Å; Q668-L672 PolarHBondContact O-N 3.4Å
669T89.4Confident73.2Confident9 Ų979.3 Ų79.36%0.05542%0.422CS..Hα-helixtrans-57.8-40.5175-46.50000112.2M117 L256 I265 L665 M666 K671 L672M117-T669 PolarHBondContact SD-OG1 2.9Å; L256-T669 HydrophobicContact CB-CG2 4.08Å; L256-T669 HydrophobicContact CD1-CG2 4.43Å; L256-T669 HydrophobicContact CD2-CG2 4.19Å; L256-T669 HydrophobicContact CG-CG2 4.47Å; I265-T669 HydrophobicContact CD1-CG2 4.16Å; L665-T669 PolarHBondContact O-N 3.04Å; L665-T669 PolarHBondContact O-OG1 3.09Å; L665-T669 VanDerWaalsContact O-OG1 3.04Å; M666-T669 PolarHBondContact O-N 3.2Å; T669-K671 VanDerWaalsContact C-N 3.28Å; T669-K671 PolarHBondContact O-N 3.02Å; T669-L672 HydrophobicContact CG2-CD1 4.23Å; T669-L672 WeakPolarHBondContact O-CG 3.32Å; T669-L672 PolarHBondContact O-N 3.05Å
670L88.6Confident70.8Confident45 Ų4584.3 Ų84.324%0.23645%0.449CS..Hα-helixtrans-64.4-30.6173.3-70.8-175.8000113.5K262 I265 L269 M666 Q668 L672K262-L670 HydrophobicContact CB-CD2 3.8Å; K262-L670 HydrophobicContact CG-CD2 3.88Å; I265-L670 HydrophobicContact CB-CD2 4.01Å; I265-L670 HydrophobicContact CB-CG 4.39Å; I265-L670 HydrophobicContact CD1-CD2 4.47Å; I265-L670 HydrophobicContact CG2-CD1 3.92Å; I265-L670 HydrophobicContact CG2-CD2 3.84Å; I265-L670 HydrophobicContact CG2-CG 3.66Å; L269-L670 HydrophobicContact CD1-CD1 3.64Å; M666-L670 PolarHBondContact O-N 3.31Å; Q668-L670 VanDerWaalsContact C-N 3.31Å; Q668-L670 PolarHBondContact O-N 3.18Å; L670-L672 VanDerWaalsContact C-N 3.33Å
671K84.2Confident68.1Low136 Ų13686.1 Ų86.159%0.59146%0.463SS*.G310 helixtrans-83.8-2-176.7-72.2174.1178.9-178.40114.3T667 Q668 T669 D673 S674T667-K671 HydrophobicContact CG2-CD 4.49Å; T667-K671 WeakPolarHBondContact O-CG 3.23Å; T667-K671 PolarHBondContact O-N 3.25Å; Q668-K671 WeakPolarHBondContact O-CA 3.13Å; Q668-K671 WeakPolarHBondContact O-CB 3.23Å; Q668-K671 PolarHBondContact O-N 2.88Å; T669-K671 VanDerWaalsContact C-N 3.28Å; T669-K671 PolarHBondContact O-N 3.02Å; K671-D673 PolarHBondContact O-N 3.49Å; K671-S674 PolarHBondContact O-N 2.91Å
672L70.9Confident65.5Low35 Ų3589.8 Ų89.818%0.18348%0.484CS..G310 helixtrans-58.9-12.9179.4-70.8174.3000113.9R257 Q668 T669 L670R257-L672 PolarHBondContact NH2-O 3.17Å; Q668-L672 PolarHBondContact O-N 3.4Å; T669-L672 HydrophobicContact CG2-CD1 4.23Å; T669-L672 WeakPolarHBondContact O-CG 3.32Å; T669-L672 PolarHBondContact O-N 3.05Å; L670-L672 VanDerWaalsContact C-N 3.33Å
673D57.6Low62.9Low74 Ų7496.4 Ų96.440%0.39652%0.524SS..G310 helixtrans-1139.1-173.3-66.732.3000113.1R257 K262 K671R257-D673 WeakPolarHBondContact CD-OD1 3.36Å; R257-D673 WeakPolarHBondContact CG-OD1 3.43Å; R257-D673 IonicContact CZ-OD1 3.12Å; R257-D673 IonicContact NE-OD1 2.71Å; R257-D673 PolarHBondContact NE-OD1 3.37Å; R257-D673 IonicContact NE-OD2 3.41Å; R257-D673 IonicContact NH2-OD1 2.94Å; K262-D673 VanDerWaalsContact NZ-CG 3.28Å; K262-D673 IonicContact NZ-OD1 3.74Å; K262-D673 IonicContact NZ-OD2 3.51Å; K262-D673 PolarHBondContact NZ-OD2 3.17Å; K671-D673 PolarHBondContact O-N 3.49Å
674S49.1Very low60Low97 Ų9798.8 Ų98.868%0.67855%0.548SS*.SBendtrans-105.83.9-176-51.90000115K671K671-S674 PolarHBondContact O-N 2.91Å
675K44.6Very low57Low200 Ų20098.7 Ų98.787%0.8755%0.552SS**SBendtrans-143.5-2.1179.8-79.7-160.1171-166.60116
676E43Very low54.4Low110 Ų110103.5 Ų103.551%0.51459%0.585SS.*  trans-105.475.3179.7-66.7-174.3171.300110.4R253 R257R253-E676 IonicContact CZ-OE1 2.7Å; R253-E676 IonicContact CZ-OE2 2.67Å; R253-E676 IonicContact NH2-OE1 2.76Å; R253-E676 PolarHBondContact NH2-OE1 3.13Å; R253-E676 IonicContact NH2-OE2 3.2Å; R253-E676 PolarHBondContact NH2-OE2 3.05Å; R257-E676 IonicContact CZ-OE2 3.17Å; R257-E676 IonicContact NH1-OE2 2.76Å; R257-E676 IonicContact NH2-OE2 3.83Å; R257-E676 PolarHBondContact NH2-OE2 3.15Å
677S38.3Very low51.7Low117 Ų117109.6 Ų109.682%0.81862%0.622SS**  trans-145.255.117469.90000111.9
678C34.5Very low49Very low115 Ų115111.9 Ų111.978%0.77764%0.64SS**SBendtrans-157.9160.4159.9-148.80000108.2
679E29Very low46.2Very low159 Ų159113.3 Ų113.374%0.74365%0.646SS**  trans58.777.9-172.2-55-55.3113.200115.1V681E679-V681 HydrophobicContact CB-CG2 4.29Å; E679-V681 PolarHBondContact O-N 3.03Å
680D37.8Very low43.2Very low171 Ų171122.9 Ų122.991%0.91469%0.688SS**  trans-65.184152.9-92.8-51.3000108.9P682D680-P682 WeakPolarHBondContact O-CD 3.44Å
681V31.5Very low40.5Very low115 Ų115130.8 Ų130.870%0.69772%0.72SS**  trans-66.7118.8171.7-178.70000107.9E679E679-V681 HydrophobicContact CB-CG2 4.29Å; E679-V681 PolarHBondContact O-N 3.03Å
682P34.4Very low38Very low110 Ų110131.1 Ų131.171%0.71473%0.728SS**  trans-62144.4-177.125.2-34.1000110.7D680 A684D680-P682 WeakPolarHBondContact O-CD 3.44Å; P682-A684 VanDerWaalsContact C-N 3.32Å; P682-A684 PolarHBondContact O-N 2.76Å
683V38.4Very low36Very low144 Ų144136.1 Ų136.187%0.87375%0.75SS**  trans-67.589.2-177.9-1780000110.2
684A29.6Very low34.9Very low87 Ų87143.5 Ų143.572%0.71977%0.772SS**  trans-69.6131168.200000109.2P682P682-A684 VanDerWaalsContact C-N 3.32Å; P682-A684 PolarHBondContact O-N 2.76Å
685N30.8Very low34.3Very low141 Ų141147.1 Ų147.175%0.75478%0.776SS**  trans-58.8141.7175.9-71.1-54.8000110.6V687N685-V687 VanDerWaalsContact C-N 3.32Å; N685-V687 PolarHBondContact O-N 2.76Å
686P36Very low33.6Very low133 Ų133145.3 Ų145.386%0.86477%0.765SS**SBendtrans-7480.9-176.630.3-35.9000112.2
687V35.9Very low33.2Very low130 Ų130148.8 Ų148.879%0.78877%0.773SS**  trans-135.994170.9-1750000110N685N685-V687 VanDerWaalsContact C-N 3.32Å; N685-V687 PolarHBondContact O-N 2.76Å
688S34.8Very low33Very low93 Ų93149.7 Ų149.765%0.6577%0.769SS**  trans-174.8101.7144.2-1730000109.5
689E31.6Very low33Very low158 Ų158149.5 Ų149.574%0.73876%0.764SS**  48.2107124.2-58158110.300119.8K691E689-K691 PolarHBondContact O-N 3.24Å
690F27.3Very low33.2Very low210 Ų210148.7 Ų148.792%0.92176%0.764SS**  trans-62.9130.4141.4-95.8-103000109.2L692F690-L692 PolarHBondContact O-N 3.32Å
691K31.2Very low33Very low211 Ų211146.8 Ų146.892%0.91775%0.753SS**  trans-76.380.8-164.3-152169.2-167168.30112.7E689E689-K691 PolarHBondContact O-N 3.24Å
692L31.3Very low33.1Very low143 Ų143148.4 Ų148.475%0.74976%0.756SS**  trans-68.6148.4-179.2-137.7147.5000111.4F690 Y696F690-L692 PolarHBondContact O-N 3.32Å; L692-Y696 HydrophobicContact CD2-CD2 4.3Å
693H30.2Very low33Very low141 Ų141152 Ų15265%0.65376%0.764SS**  trans-64.2139.3-167.1-170.7-104.9000113.4K695 Y696H693-K695 PolarHBondContact O-N 3.39Å; H693-Y696 PolarHBondContact O-N 3.08Å
694R33.5Very low32.4Very low228 Ų228148.4 Ų148.486%0.8676%0.755SS**THydrogen-bonded Turntrans-58-2.7-165-168.1172.1176.4177.40117
695K35.8Very low32.5Very low173 Ų173154.8 Ų154.875%0.75277%0.767SS**THydrogen-bonded Turntrans-91.8-5.1-179.8-70-166.9172.7-171.70115.4H693H693-K695 PolarHBondContact O-N 3.39Å
696Y31.5Very low32.3Very low163 Ų163153.2 Ų153.264%0.63976%0.762SS**SBendtrans-101.5-0179.3-84.8-83.4000114.9L692 H693L692-Y696 HydrophobicContact CD2-CD2 4.3Å; H693-Y696 PolarHBondContact O-N 3.08Å
697R34.4Very low32.6Very low182 Ų182151.8 Ų151.869%0.68776%0.762SS**SBendtrans-72.1-35.4-174.9-158.2-179.5-160.5-160.94.9112.8T699 L700R697-T699 VanDerWaalsContact C-N 3.33Å; R697-T699 PolarHBondContact O-N 3.15Å; R697-L700 PolarHBondContact O-N 2.84Å
698D32.6Very low32.4Very low137 Ų137154.1 Ų154.173%0.73376%0.764SS**THydrogen-bonded Turntrans-86.7-6.4-165.9-49.4-32000112.9
699T35Very low32.3Very low111 Ų111158.5 Ų158.568%0.68177%0.774SS**THydrogen-bonded Turntrans-93-8.3174.9-30.60000113R697R697-T699 VanDerWaalsContact C-N 3.33Å; R697-T699 PolarHBondContact O-N 3.15Å
700L33.1Very low32.3Very low141 Ų141155.7 Ų155.774%0.73878%0.778SS**SBendtrans-115.316.3-174.7-72.4172.6000113.6R697R697-L700 PolarHBondContact O-N 2.84Å
701I35.1Very low32.5Very low132 Ų132154.6 Ų154.668%0.67778%0.776SS**SBendtrans-11449.3172.4-44.9-176.8000110
702L32Very low32.5Very low148 Ų148153 Ų15378%0.77577%0.772SS**SBendtrans-140.8136160.8-91.5169.7000106.9
703H31.8Very low32.5Very low187 Ų187152.7 Ų152.787%0.86677%0.769SS**SBendtrans61.5131.7-159.4-39.7-80.6000112.9
704G27Very low32.3Very low68 Ų68154 Ų15470%0.70178%0.775SS**  cis170.2100.3-2.400000107.9V706G704-V706 PolarHBondContact O-N 2.96Å; G704-V706 VanDerWaalsContact O-N 3.13Å
705K31.2Very low32.7Very low220 Ų220150.2 Ų150.296%0.95777%0.765SS**  trans-82.494.2-169.6-172-174.6-178.3-174.80110.8
706V27.9Very low32.6Very low108 Ų108151.1 Ų151.166%0.65577%0.769SS**  trans-116136.2167-178.40000108.4G704 E708G704-V706 PolarHBondContact O-N 2.96Å; G704-V706 VanDerWaalsContact O-N 3.13Å; V706-E708 HydrophobicContact CG1-CG 3.88Å
707A41.3Very low32.8Very low104 Ų104152.6 Ų152.686%0.8678%0.782SS**  trans-109116.7167.600000107.1
708E32.3Very low33.1Very low178 Ų178151.3 Ų151.383%0.83279%0.788SS**  trans-128.6152.2175.5-88.5175.6168.700110V706V706-E708 HydrophobicContact CG1-CG 3.88Å
709E31.2Very low33.5Very low185 Ų185149.8 Ų149.886%0.86479%0.786SS**  trans-83.3149.4-167.8-60.8175.8131.100111E711E709-E711 PolarHBondContact O-N 3Å
710A32.2Very low33.8Very low99 Ų99151.1 Ų151.182%0.81880%0.796SS**  trans-77.992.8179.500000110.6E712A710-E712 PolarHBondContact O-N 2.89Å
711E31.3Very low34.3Very low187 Ų187147.1 Ų147.187%0.87478%0.783SS**  trans-62.898.7167.8-72.2-159.2144.400110.5E709 I713E709-E711 PolarHBondContact O-N 3Å; E711-I713 PolarHBondContact O-N 3.32Å
712E31.3Very low35.2Very low179 Ų179148.9 Ų148.984%0.83679%0.793SS**  trans-64.4128.1166.7-70.1-162.7126.500109.8A710 H714A710-E712 PolarHBondContact O-N 2.89Å; E712-H714 VanDerWaalsContact C-N 3.33Å; E712-H714 PolarHBondContact O-N 3.45Å
713I32.5Very low36Very low135 Ų135145.4 Ų145.469%0.69277%0.773SS**  trans-69.989.3-177.6-51.2176000109.6E711 F715E711-I713 PolarHBondContact O-N 3.32Å; I713-F715 VanDerWaalsContact C-N 3.29Å; I713-F715 HydrophobicContact CB-CD2 4.38Å; I713-F715 HydrophobicContact CB-CE2 3.96Å; I713-F715 HydrophobicContact CG2-CD2 3.89Å; I713-F715 HydrophobicContact CG2-CE1 4.29Å; I713-F715 HydrophobicContact CG2-CE2 3.46Å; I713-F715 VanDerWaalsContact CG2-CE2 3.46Å; I713-F715 HydrophobicContact CG2-CG 4.47Å; I713-F715 HydrophobicContact CG2-CZ 3.68Å; I713-F715 VanDerWaalsContact O-CD2 3.22Å; I713-F715 WeakPolarHBondContact O-CD2 3.39Å; I713-F715 PolarHBondContact O-N 3.05Å
714H26.2Very low37.2Very low170 Ų170140.2 Ų140.279%0.78776%0.756SS**  trans-7675.4-176.8-165-50.4000111.7E712 K716E712-H714 VanDerWaalsContact C-N 3.33Å; E712-H714 PolarHBondContact O-N 3.45Å; H714-K716 PolarHBondContact O-N 3.05Å; H714-K716 VanDerWaalsContact O-N 3.11Å
715F40.6Very low38.6Very low147 Ų147138.8 Ų138.865%0.64574%0.741SS**PPolyproline II helixtrans-53.9117173.7-71.7-82.4000111.2I713I713-F715 VanDerWaalsContact C-N 3.29Å; I713-F715 HydrophobicContact CB-CD2 4.38Å; I713-F715 HydrophobicContact CB-CE2 3.96Å; I713-F715 HydrophobicContact CG2-CD2 3.89Å; I713-F715 HydrophobicContact CG2-CE1 4.29Å; I713-F715 HydrophobicContact CG2-CE2 3.46Å; I713-F715 VanDerWaalsContact CG2-CE2 3.46Å; I713-F715 HydrophobicContact CG2-CG 4.47Å; I713-F715 HydrophobicContact CG2-CZ 3.68Å; I713-F715 VanDerWaalsContact O-CD2 3.22Å; I713-F715 WeakPolarHBondContact O-CD2 3.39Å; I713-F715 PolarHBondContact O-N 3.05Å
716K33.9Very low40Very low192 Ų192131.8 Ų131.884%0.83572%0.72SS**PPolyproline II helixtrans-68.4136.4171-76.3-176.8175.1175.50110H714 L718H714-K716 PolarHBondContact O-N 3.05Å; H714-K716 VanDerWaalsContact O-N 3.11Å; K716-L718 PolarHBondContact O-N 2.91Å
717E36.1Very low42Very low194 Ų194129.8 Ų129.891%0.90770%0.703SS**PPolyproline II helixtrans-61.6124.9-171.3-166.9169-153.200112
718L41.1Very low43.3Very low155 Ų155130 Ų13081%0.81269%0.685SS**PPolyproline II helixtrans-81140.7178-77.5170.1000110.8K716K716-L718 PolarHBondContact O-N 2.91Å
719P40Very low45Very low106 Ų106123.1 Ų123.169%0.68865%0.653SS**PPolyproline II helixtrans-56147.9-176.5-27.935.2000114.3A721P719-A721 PolarHBondContact O-N 3.36Å
720P42.2Very low47Very low139 Ų139119 Ų11990%0.90363%0.63SS**  trans-7762.2-171.632.4-37.7000113.8
721A42.9Very low49.1Very low57 Ų57121.3 Ų121.347%0.47162%0.618SS.*  trans-84.7134.8167.100000110.9P719 M723P719-A721 PolarHBondContact O-N 3.36Å; A721-M723 HydrophobicContact CB-CG 4.29Å; A721-M723 PolarHBondContact O-N 3.12Å
722I55.2Low51.2Low169 Ų169117 Ų11787%0.86760%0.6SS**  trans-77.576.4177.6-52.8178.8000109.5
723M48.5Very low53.5Low75 Ų75108.7 Ų108.737%0.36956%0.561SS.*  trans-89.9138.9173.3-66-72.494.300111.1A721 E727 K728A721-M723 HydrophobicContact CB-CG 4.29Å; A721-M723 PolarHBondContact O-N 3.12Å; M723-E727 HydrophobicContact SD-CG 4.45Å; M723-K728 HydrophobicContact CB-CG 4.05Å; M723-K728 WeakPolarHBondContact O-CE 3.28Å
724P56.2Low55.9Low78 Ų78108 Ų10851%0.50656%0.555SS.*  trans-54.7151.2170.7-25.234.8000112.5S726 E727 K728P724-S726 VanDerWaalsContact C-N 3.29Å; P724-S726 PolarHBondContact O-N 3.1Å; P724-E727 WeakPolarHBondContact O-CB 3.05Å; P724-E727 PolarHBondContact O-N 3.14Å; P724-K728 PolarHBondContact O-N 3.45Å
725G56.9Low58.7Low37 Ų37104.2 Ų104.238%0.38154%0.544SS..Hα-helixtrans-57.3-39.7-17800000113.6E727 K728 I729G725-E727 VanDerWaalsContact C-N 3.3Å; G725-E727 PolarHBondContact O-N 2.78Å; G725-K728 PolarHBondContact O-N 3.41Å; G725-I729 WeakPolarHBondContact O-CG1 3.2Å; G725-I729 PolarHBondContact O-N 3.14Å; G725-I729 VanDerWaalsContact O-N 3.14Å
726S60.8Low60.9Low73 Ų7398.4 Ų98.451%0.5152%0.519SS..Hα-helixtrans-57.6-40.7173.753.10000112.8P724 I729 R730P724-S726 VanDerWaalsContact C-N 3.29Å; P724-S726 PolarHBondContact O-N 3.1Å; S726-I729 PolarHBondContact O-N 3.07Å; S726-R730 WeakPolarHBondContact O-CG 3.07Å; S726-R730 PolarHBondContact O-N 3.37Å
727E69.3Low63.4Low66 Ų6694.8 Ų94.831%0.30850%0.5SS..Hα-helixtrans-73.8-31.5-175.8-153.362.8-165.700111.9M723 P724 G725 R730 R731M723-E727 HydrophobicContact SD-CG 4.45Å; P724-E727 WeakPolarHBondContact O-CB 3.05Å; P724-E727 PolarHBondContact O-N 3.14Å; G725-E727 VanDerWaalsContact C-N 3.3Å; G725-E727 PolarHBondContact O-N 2.78Å; E727-R730 IonicContact OE2-NH1 2.71Å; E727-R731 WeakPolarHBondContact O-CG 3.47Å; E727-R731 PolarHBondContact O-N 3.49Å; E727-R731 VanDerWaalsContact O-N 3.12Å
728K69.4Low66Low108 Ų10889.2 Ų89.247%0.4748%0.48SS..Hα-helixtrans-67.3-39170.6-62.8-171.9179-169.70111.7M723 P724 G725 L732M723-K728 HydrophobicContact CB-CG 4.05Å; M723-K728 WeakPolarHBondContact O-CE 3.28Å; P724-K728 PolarHBondContact O-N 3.45Å; G725-K728 PolarHBondContact O-N 3.41Å; K728-L732 WeakPolarHBondContact O-CB 3.46Å; K728-L732 PolarHBondContact O-N 3.11Å
729I67.9Low68.3Low34 Ų3483.3 Ų83.317%0.17445%0.449CS..Hα-helixtrans-67.3-46.7175.5-66167.3000110.4N212 G725 S726 R731 L732 V733 M793N212-I729 HydrophobicContact CB-CD1 4.25Å; G725-I729 WeakPolarHBondContact O-CG1 3.2Å; G725-I729 PolarHBondContact O-N 3.14Å; G725-I729 VanDerWaalsContact O-N 3.14Å; S726-I729 PolarHBondContact O-N 3.07Å; I729-R731 VanDerWaalsContact C-N 3.35Å; I729-R731 PolarHBondContact O-N 2.91Å; I729-L732 WeakPolarHBondContact O-CB 3.48Å; I729-L732 PolarHBondContact O-N 2.86Å; I729-V733 HydrophobicContact CG2-CG2 4.36Å; I729-V733 WeakPolarHBondContact O-CG2 3.4Å; I729-V733 PolarHBondContact O-N 3.24Å; I729-M793 HydrophobicContact CG2-CE 3.68Å; I729-M793 HydrophobicContact CG2-SD 4.28Å
730R71.8Confident70.7Confident100 Ų10078.3 Ų78.338%0.37742%0.416SS..Hα-helixtrans-53.8-48.6175.7-76.1-174.7162.9163.7-9.9112.1S726 E727 L732 V733 E734 F795S726-R730 WeakPolarHBondContact O-CG 3.07Å; S726-R730 PolarHBondContact O-N 3.37Å; E727-R730 IonicContact OE2-NH1 2.71Å; R730-L732 VanDerWaalsContact C-N 3.34Å; R730-L732 PolarHBondContact O-N 3Å; R730-V733 PolarHBondContact O-N 2.71Å; R730-E734 WeakPolarHBondContact O-CB 3.43Å; R730-E734 PolarHBondContact O-N 2.84Å; R730-F795 HydrophobicContact CB-CE1 4.01Å; R730-F795 HydrophobicContact CG-CD1 4.2Å; R730-F795 HydrophobicContact CG-CE1 3.57Å; R730-F795 HydrophobicContact CG-CZ 4.21Å; R730-F795 PolarHBondContact NH2-OXT 2.78Å
731R76.5Confident73Confident147 Ų14774.4 Ų74.456%0.55539%0.387SS*.Hα-helixtrans-64.4-34.3175.8-71.9-175.3-177.5-160-0.2113.5E727 I729 E734 V735E727-R731 WeakPolarHBondContact O-CG 3.47Å; E727-R731 PolarHBondContact O-N 3.49Å; E727-R731 VanDerWaalsContact O-N 3.12Å; I729-R731 VanDerWaalsContact C-N 3.35Å; I729-R731 PolarHBondContact O-N 2.91Å; R731-E734 PolarHBondContact O-N 2.77Å; R731-V735 WeakPolarHBondContact O-CB 3.36Å; R731-V735 VanDerWaalsContact O-CG2 3.28Å; R731-V735 WeakPolarHBondContact O-CG2 3.37Å; R731-V735 PolarHBondContact O-N 3.41Å
732L76Confident75.1Confident95 Ų9580.3 Ų80.350%0.49740%0.397SS..Hα-helixtrans-67.4-42.4175.7-177.562.8000111.4K728 I729 R730 V735 L736K728-L732 WeakPolarHBondContact O-CB 3.46Å; K728-L732 PolarHBondContact O-N 3.11Å; I729-L732 WeakPolarHBondContact O-CB 3.48Å; I729-L732 PolarHBondContact O-N 2.86Å; R730-L732 VanDerWaalsContact C-N 3.34Å; R730-L732 PolarHBondContact O-N 3Å; L732-V735 PolarHBondContact O-N 2.93Å; L732-L736 WeakPolarHBondContact O-CB 3.04Å; L732-L736 PolarHBondContact O-N 3.37Å
733V79.8Confident76.7Confident5 Ų572.9 Ų72.93%0.0336%0.362CS..Hα-helixtrans-64.6-40.4174176.60000110.7I729 R730 L736 R737 L786 F789 F795I729-V733 HydrophobicContact CG2-CG2 4.36Å; I729-V733 WeakPolarHBondContact O-CG2 3.4Å; I729-V733 PolarHBondContact O-N 3.24Å; R730-V733 PolarHBondContact O-N 2.71Å; V733-L736 PolarHBondContact O-N 2.71Å; V733-R737 VanDerWaalsContact O-CB 3.26Å; V733-R737 WeakPolarHBondContact O-CB 3.42Å; V733-R737 PolarHBondContact O-N 3.46Å; V733-L786 HydrophobicContact CG1-CD1 4.29Å; V733-F789 HydrophobicContact CG1-CB 3.97Å; V733-F789 HydrophobicContact CG2-CB 3.79Å; V733-F789 HydrophobicContact CG2-CD1 4.07Å; V733-F789 HydrophobicContact CG2-CD2 4.06Å; V733-F789 HydrophobicContact CG2-CG 3.72Å; V733-F795 HydrophobicContact CB-CZ 4.32Å; V733-F795 HydrophobicContact CG1-CE2 4.25Å; V733-F795 HydrophobicContact CG1-CZ 4.08Å
734E83.4Confident78.5Confident121 Ų12169.6 Ų69.657%0.56535%0.347SS*.Hα-helixtrans-64.7-38.9175.9-173174.9-145.900112.9R730 R731 R737 T738R730-E734 WeakPolarHBondContact O-CB 3.43Å; R730-E734 PolarHBondContact O-N 2.84Å; R731-E734 PolarHBondContact O-N 2.77Å; E734-R737 PolarHBondContact O-N 3.48Å; E734-T738 WeakPolarHBondContact O-CG2 2.83Å; E734-T738 PolarHBondContact O-N 2.79Å; E734-T738 PolarHBondContact O-OG1 3.3Å
735V85.1Confident80.1Confident90 Ų9067.3 Ų67.355%0.54534%0.337SS..Hα-helixtrans-67.1-41.3172.3168.60000111.4R731 L732 T738 D739R731-V735 WeakPolarHBondContact O-CB 3.36Å; R731-V735 VanDerWaalsContact O-CG2 3.28Å; R731-V735 WeakPolarHBondContact O-CG2 3.37Å; R731-V735 PolarHBondContact O-N 3.41Å; L732-V735 PolarHBondContact O-N 2.93Å; V735-T738 WeakPolarHBondContact CA-OG1 3.35Å; V735-T738 PolarHBondContact O-OG1 2.94Å; V735-T738 VanDerWaalsContact O-OG1 3.12Å; V735-D739 WeakPolarHBondContact O-CB 3.46Å; V735-D739 PolarHBondContact O-N 2.73Å
736L85Confident81.6Confident25 Ų2569.9 Ų69.913%0.13135%0.345CS..Hα-helixtrans-64-43.7173.7-176.964.9000111.2L732 V733 T738 D739 V740 K782 Q785 L786 F789L732-L736 WeakPolarHBondContact O-CB 3.04Å; L732-L736 PolarHBondContact O-N 3.37Å; V733-L736 PolarHBondContact O-N 2.71Å; L736-T738 PolarHBondContact O-N 3.43Å; L736-D739 PolarHBondContact O-N 3.39Å; L736-V740 HydrophobicContact CD1-CG2 4.13Å; L736-V740 HydrophobicContact CG-CG2 4.34Å; L736-V740 WeakPolarHBondContact O-CB 3.41Å; L736-V740 VanDerWaalsContact O-CG2 3.31Å; L736-V740 WeakPolarHBondContact O-CG2 3.49Å; L736-V740 PolarHBondContact O-N 3.11Å; L736-K782 HydrophobicContact CD1-CB 4.07Å; L736-K782 HydrophobicContact CD1-CG 4.42Å; L736-Q785 HydrophobicContact CD2-CB 3.97Å; L736-L786 HydrophobicContact CB-CD1 4.4Å; L736-L786 HydrophobicContact CD2-CB 4.05Å; L736-L786 HydrophobicContact CD2-CD1 4.21Å; L736-L786 HydrophobicContact CG-CB 4.28Å; L736-L786 HydrophobicContact CG-CD1 4.16Å; L736-F789 HydrophobicContact CD2-CD2 3.93Å; L736-F789 HydrophobicContact CD2-CE2 4.19Å
737R88Confident82.7Confident117 Ų11773.9 Ų73.944%0.44236%0.356SS..Hα-helixtrans-59.3-47.6178.6-164.2173.3-142.5-151.73.6111.3V733 E734 I741 L786 E790V733-R737 VanDerWaalsContact O-CB 3.26Å; V733-R737 WeakPolarHBondContact O-CB 3.42Å; V733-R737 PolarHBondContact O-N 3.46Å; E734-R737 PolarHBondContact O-N 3.48Å; R737-I741 HydrophobicContact CG-CD1 3.79Å; R737-I741 VanDerWaalsContact O-CB 3.27Å; R737-I741 WeakPolarHBondContact O-CB 3.49Å; R737-I741 VanDerWaalsContact O-CG1 3.25Å; R737-I741 WeakPolarHBondContact O-CG1 3.42Å; R737-I741 PolarHBondContact O-N 2.82Å; R737-L786 HydrophobicContact CB-CD1 3.75Å; R737-L786 HydrophobicContact CB-CD2 4.32Å; R737-L786 HydrophobicContact CG-CD1 4.17Å; R737-L786 HydrophobicContact CG-CD2 4.16Å; R737-E790 IonicContact CZ-OE1 2.78Å; R737-E790 IonicContact CZ-OE2 2.93Å; R737-E790 VanDerWaalsContact NE-CD 3.35Å; R737-E790 IonicContact NE-OE1 3.74Å; R737-E790 PolarHBondContact NE-OE1 3.49Å; R737-E790 IonicContact NE-OE2 3.03Å; R737-E790 IonicContact NH2-OE1 3.59Å; R737-E790 PolarHBondContact NH2-OE1 3.13Å; R737-E790 IonicContact NH2-OE2 3.67Å; R737-E790 PolarHBondContact NH2-OE2 3.02Å
738T89.4Confident83.7Confident76 Ų7672.1 Ų72.147%0.46635%0.348SS..Hα-helixtrans-69.2-30.9178.349.20000113.2E734 V735 L736 R742E734-T738 WeakPolarHBondContact O-CG2 2.83Å; E734-T738 PolarHBondContact O-N 2.79Å; E734-T738 PolarHBondContact O-OG1 3.3Å; V735-T738 WeakPolarHBondContact CA-OG1 3.35Å; V735-T738 PolarHBondContact O-OG1 2.94Å; V735-T738 VanDerWaalsContact O-OG1 3.12Å; L736-T738 PolarHBondContact O-N 3.43Å; T738-R742 WeakPolarHBondContact O-CB 3.27Å; T738-R742 PolarHBondContact O-N 3.1Å; T738-R742 VanDerWaalsContact O-N 3.14Å
739D90.3Very high84.7Confident32 Ų3267.5 Ų67.517%0.17133%0.329CS..Hα-helixtrans-71.2-46.3172.8-17154.6000112.7V735 L736 R742 G743 K782V735-D739 WeakPolarHBondContact O-CB 3.46Å; V735-D739 PolarHBondContact O-N 2.73Å; L736-D739 PolarHBondContact O-N 3.39Å; D739-R742 PolarHBondContact O-N 3.14Å; D739-R742 IonicContact OD1-CZ 2.69Å; D739-R742 IonicContact OD1-NE 3.82Å; D739-R742 IonicContact OD1-NH2 3.57Å; D739-R742 PolarHBondContact OD1-NH2 3.48Å; D739-G743 PolarHBondContact O-N 3.4Å; D739-K782 WeakPolarHBondContact OD2-CD 3.12Å; D739-K782 IonicContact OD2-NZ 3.95Å; D739-K782 PolarHBondContact OD2-NZ 2.78Å
740V89.3Confident85.7Confident0 Ų071.7 Ų71.70%035%0.348CS..Hα-helixtrans-66.2-44.7178.6175.10000111.5L736 R742 G743 L744 L749 K782 A783 L786L736-V740 HydrophobicContact CD1-CG2 4.13Å; L736-V740 HydrophobicContact CG-CG2 4.34Å; L736-V740 WeakPolarHBondContact O-CB 3.41Å; L736-V740 VanDerWaalsContact O-CG2 3.31Å; L736-V740 WeakPolarHBondContact O-CG2 3.49Å; L736-V740 PolarHBondContact O-N 3.11Å; V740-R742 VanDerWaalsContact C-N 3.32Å; V740-R742 PolarHBondContact O-N 2.73Å; V740-G743 PolarHBondContact O-N 3.04Å; V740-L744 HydrophobicContact CG1-CD1 3.91Å; V740-L744 HydrophobicContact CG1-CG 4.43Å; V740-L744 PolarHBondContact O-N 3.46Å; V740-L749 HydrophobicContact CG1-CD1 3.55Å; V740-L749 HydrophobicContact CG1-CD2 4.07Å; V740-L749 HydrophobicContact CG1-CG 4.39Å; V740-K782 HydrophobicContact CG2-CB 3.53Å; V740-A783 HydrophobicContact CG1-CB 4.32Å; V740-L786 HydrophobicContact CB-CD2 3.8Å; V740-L786 HydrophobicContact CG1-CD2 3.9Å; V740-L786 HydrophobicContact CG2-CB 4.49Å; V740-L786 HydrophobicContact CG2-CD2 4.14Å
741I90.7Very high86.5Confident58 Ų5871.6 Ų71.630%0.29735%0.351SS..Hα-helixtrans-63.5-38176.5-71.1174.5000111.1R737 G745 V746 L749R737-I741 HydrophobicContact CG-CD1 3.79Å; R737-I741 VanDerWaalsContact O-CB 3.27Å; R737-I741 WeakPolarHBondContact O-CB 3.49Å; R737-I741 VanDerWaalsContact O-CG1 3.25Å; R737-I741 WeakPolarHBondContact O-CG1 3.42Å; R737-I741 PolarHBondContact O-N 2.82Å; I741-G745 VanDerWaalsContact O-CA 3.26Å; I741-G745 WeakPolarHBondContact O-CA 3.22Å; I741-G745 PolarHBondContact O-N 3.2Å; I741-V746 HydrophobicContact CG2-CG2 3.71Å; I741-L749 HydrophobicContact CG1-CD2 3.75Å
742R88.4Confident87.1Confident180 Ų18064.7 Ų64.768%0.67933%0.325SS*.Hα-helixtrans-66.4-36.5174.5175.5176.359.8-134.3-0.9112.6T738 D739 V740T738-R742 WeakPolarHBondContact O-CB 3.27Å; T738-R742 PolarHBondContact O-N 3.1Å; T738-R742 VanDerWaalsContact O-N 3.14Å; D739-R742 PolarHBondContact O-N 3.14Å; D739-R742 IonicContact OD1-CZ 2.69Å; D739-R742 IonicContact OD1-NE 3.82Å; D739-R742 IonicContact OD1-NH2 3.57Å; D739-R742 PolarHBondContact OD1-NH2 3.48Å; V740-R742 VanDerWaalsContact C-N 3.32Å; V740-R742 PolarHBondContact O-N 2.73Å
743G87.4Confident87.8Confident13 Ų1361.8 Ų61.813%0.13431%0.308CS..Hα-helixtrans-76.6-54.6179.800000113.7D739 V740 K775 Y779D739-G743 PolarHBondContact O-N 3.4Å; V740-G743 PolarHBondContact O-N 3.04Å; G743-K775 WeakPolarHBondContact O-CD 3.47Å; G743-K775 WeakPolarHBondContact O-CE 3.26Å; G743-K775 PolarHBondContact O-NZ 2.67Å; G743-Y779 VanDerWaalsContact CA-CZ 3.49Å
744L87.5Confident88.3Confident7 Ų766.8 Ų66.84%0.03734%0.335CS..Hα-helixtrans-83.9-43.1-175.4-64.1-179.2000112.7V740 L748 L749 M772 K775 Y779 A783V740-L744 HydrophobicContact CG1-CD1 3.91Å; V740-L744 HydrophobicContact CG1-CG 4.43Å; V740-L744 PolarHBondContact O-N 3.46Å; L744-L748 HydrophobicContact CB-CB 4.42Å; L744-L748 HydrophobicContact CB-CD2 4.25Å; L744-L748 HydrophobicContact CB-CG 4.36Å; L744-L748 HydrophobicContact CD2-CD2 4.01Å; L744-L749 HydrophobicContact CD1-CD1 4.14Å; L744-M772 HydrophobicContact CD1-CE 3.7Å; L744-M772 HydrophobicContact CD2-CE 3.61Å; L744-M772 HydrophobicContact CG-CE 4.3Å; L744-K775 HydrophobicContact CD2-CB 3.78Å; L744-K775 HydrophobicContact CD2-CD 3.8Å; L744-K775 HydrophobicContact CD2-CG 4.47Å; L744-K775 PolarHBondContact O-NZ 2.76Å; L744-K775 VanDerWaalsContact O-NZ 3.07Å; L744-Y779 HydrophobicContact CD2-CD2 4.42Å; L744-Y779 HydrophobicContact CD2-CG 4.13Å; L744-Y779 HydrophobicContact CG-CG 4.24Å; L744-A783 HydrophobicContact CD1-CB 4.1Å
745G88.7Confident88.5Confident30 Ų3061.9 Ų61.931%0.30931%0.312SS..  trans90.3149.9-160.200000111.3I741 Q747 L748 L749I741-G745 VanDerWaalsContact O-CA 3.26Å; I741-G745 WeakPolarHBondContact O-CA 3.22Å; I741-G745 PolarHBondContact O-N 3.2Å; G745-Q747 PolarHBondContact O-N 3.49Å; G745-L748 PolarHBondContact O-N 3.47Å; G745-L749 WeakPolarHBondContact O-CB 3.48Å; G745-L749 PolarHBondContact O-N 3.47Å
746V88.3Confident88.5Confident90 Ų9059.2 Ų59.255%0.54530%0.295SS..Hα-helixtrans-61.2-46.2-173.9-177.20000112.1I741 L748 L749 E750I741-V746 HydrophobicContact CG2-CG2 3.71Å; V746-L748 VanDerWaalsContact C-N 3.34Å; V746-L748 PolarHBondContact O-N 2.93Å; V746-L749 WeakPolarHBondContact O-CB 3.28Å; V746-L749 PolarHBondContact O-N 2.95Å; V746-L749 VanDerWaalsContact O-N 3.13Å; V746-E750 PolarHBondContact O-N 3.23Å
747Q84.9Confident88.4Confident158 Ų15864.5 Ų64.574%0.73832%0.319SS*.Hα-helixtrans-61.8-39.2-178.4-67.7173.3-37.700112.8G745 Q751G745-Q747 PolarHBondContact O-N 3.49Å; Q747-Q751 WeakPolarHBondContact O-CG 3.16Å; Q747-Q751 PolarHBondContact O-N 2.86Å
748L89.5Confident88.3Confident29 Ų2961.6 Ų61.615%0.15231%0.31CS..Hα-helixtrans-74.6-32176.5-179.459000111.6L744 G745 V746 V752 H771 K775L744-L748 HydrophobicContact CB-CB 4.42Å; L744-L748 HydrophobicContact CB-CD2 4.25Å; L744-L748 HydrophobicContact CB-CG 4.36Å; L744-L748 HydrophobicContact CD2-CD2 4.01Å; G745-L748 PolarHBondContact O-N 3.47Å; V746-L748 VanDerWaalsContact C-N 3.34Å; V746-L748 PolarHBondContact O-N 2.93Å; L748-V752 HydrophobicContact CD1-CG2 4.34Å; L748-V752 VanDerWaalsContact O-CB 3.29Å; L748-V752 WeakPolarHBondContact O-CB 3.47Å; L748-V752 WeakPolarHBondContact O-CG2 3.48Å; L748-V752 PolarHBondContact O-N 3.48Å; L748-H771 HydrophobicContact CD1-CB 4.44Å; L748-H771 WeakPolarHBondContact CD1-O 3.46Å; L748-K775 HydrophobicContact CD2-CD 4.24Å
749L90.9Very high87.3Confident10 Ų1066.9 Ų66.95%0.05233%0.33CS..Hα-helixtrans-65.7-40.3173.6-178.560.7000111.7V740 I741 L744 G745 V746 V752 Y753 A783 L786V740-L749 HydrophobicContact CG1-CD1 3.55Å; V740-L749 HydrophobicContact CG1-CD2 4.07Å; V740-L749 HydrophobicContact CG1-CG 4.39Å; I741-L749 HydrophobicContact CG1-CD2 3.75Å; L744-L749 HydrophobicContact CD1-CD1 4.14Å; G745-L749 WeakPolarHBondContact O-CB 3.48Å; G745-L749 PolarHBondContact O-N 3.47Å; V746-L749 WeakPolarHBondContact O-CB 3.28Å; V746-L749 PolarHBondContact O-N 2.95Å; V746-L749 VanDerWaalsContact O-N 3.13Å; L749-V752 CarbonylContact O-C 3.6Å; L749-V752 PolarHBondContact O-N 2.81Å; L749-Y753 HydrophobicContact CD1-CD1 3.87Å; L749-Y753 HydrophobicContact CD1-CE1 3.28Å; L749-Y753 HydrophobicContact CG-CD1 4.31Å; L749-Y753 HydrophobicContact CG-CE1 3.85Å; L749-Y753 VanDerWaalsContact O-CD1 3.28Å; L749-Y753 WeakPolarHBondContact O-CD1 3.37Å; L749-Y753 PolarHBondContact O-N 3.19Å; L749-A783 HydrophobicContact CD1-CB 4.11Å; L749-L786 HydrophobicContact CD2-CD2 4.01Å
750E89.2Confident86.9Confident123 Ų12369.6 Ų69.658%0.57534%0.344SS*.Hα-helixtrans-61.3-51.2175.7-167.9166.1-146.400110.9V746 V752 Y753 D754V746-E750 PolarHBondContact O-N 3.23Å; E750-V752 VanDerWaalsContact C-N 3.32Å; E750-V752 PolarHBondContact O-N 2.87Å; E750-Y753 WeakPolarHBondContact O-CA 3.24Å; E750-Y753 WeakPolarHBondContact O-CB 3.36Å; E750-Y753 PolarHBondContact O-N 3.41Å; E750-D754 PolarHBondContact O-N 2.79Å
751Q87.9Confident86.1Confident98 Ų9874.4 Ų74.446%0.45837%0.367SS..Hα-helixtrans-59.5-38.6173.1-69.6174.7-22.200113.2Q747 Y753 D754 L755Q747-Q751 WeakPolarHBondContact O-CG 3.16Å; Q747-Q751 PolarHBondContact O-N 2.86Å; Q751-Y753 VanDerWaalsContact C-N 3.28Å; Q751-Y753 PolarHBondContact O-N 2.95Å; Q751-D754 PolarHBondContact O-N 3.48Å; Q751-L755 WeakPolarHBondContact O-CB 3.28Å; Q751-L755 VanDerWaalsContact O-CG 3.29Å; Q751-L755 WeakPolarHBondContact O-CG 3.29Å; Q751-L755 PolarHBondContact O-N 2.95Å
752V90.4Very high85.4Confident1 Ų179.4 Ų79.41%0.00639%0.386CS..Hα-helixtrans-66.7-30.1174.3163.20000111.6L748 L749 E750 L756 L768 M772 A783L748-V752 HydrophobicContact CD1-CG2 4.34Å; L748-V752 VanDerWaalsContact O-CB 3.29Å; L748-V752 WeakPolarHBondContact O-CB 3.47Å; L748-V752 WeakPolarHBondContact O-CG2 3.48Å; L748-V752 PolarHBondContact O-N 3.48Å; L749-V752 CarbonylContact O-C 3.6Å; L749-V752 PolarHBondContact O-N 2.81Å; E750-V752 VanDerWaalsContact C-N 3.32Å; E750-V752 PolarHBondContact O-N 2.87Å; V752-L756 HydrophobicContact CG1-CD1 4.11Å; V752-L756 WeakPolarHBondContact O-CB 3.3Å; V752-L756 WeakPolarHBondContact O-CD1 3.31Å; V752-L756 WeakPolarHBondContact O-CG 3.26Å; V752-L756 PolarHBondContact O-N 3.45Å; V752-L756 VanDerWaalsContact O-N 3.14Å; V752-L768 HydrophobicContact CB-CD2 4.28Å; V752-L768 HydrophobicContact CG1-CD2 3.94Å; V752-L768 HydrophobicContact CG2-CD2 4.14Å; V752-M772 HydrophobicContact CG1-SD 4.19Å; V752-M772 HydrophobicContact CG2-CE 4.21Å; V752-M772 HydrophobicContact CG2-CG 3.42Å; V752-M772 VanDerWaalsContact CG2-CG 3.42Å; V752-M772 HydrophobicContact CG2-SD 3.68Å; V752-A783 HydrophobicContact CG1-CB 3.85Å
753Y90.8Very high85Confident34 Ų3473.7 Ų73.713%0.13337%0.369CS..Hα-helixtrans-71.7-44.5174.6-77.29.5000111.4L749 E750 Q751 L755 L756 L786 K787 E790L749-Y753 HydrophobicContact CD1-CD1 3.87Å; L749-Y753 HydrophobicContact CD1-CE1 3.28Å; L749-Y753 HydrophobicContact CG-CD1 4.31Å; L749-Y753 HydrophobicContact CG-CE1 3.85Å; L749-Y753 VanDerWaalsContact O-CD1 3.28Å; L749-Y753 WeakPolarHBondContact O-CD1 3.37Å; L749-Y753 PolarHBondContact O-N 3.19Å; E750-Y753 WeakPolarHBondContact O-CA 3.24Å; E750-Y753 WeakPolarHBondContact O-CB 3.36Å; E750-Y753 PolarHBondContact O-N 3.41Å; Q751-Y753 VanDerWaalsContact C-N 3.28Å; Q751-Y753 PolarHBondContact O-N 2.95Å; Y753-L755 VanDerWaalsContact C-N 3.35Å; Y753-L755 PolarHBondContact O-N 2.91Å; Y753-L756 HydrophobicContact CD1-CD1 4.49Å; Y753-L756 WeakPolarHBondContact O-CB 3.22Å; Y753-L756 PolarHBondContact O-N 2.89Å; Y753-L756 VanDerWaalsContact O-N 3.1Å; Y753-L786 VanDerWaalsContact OH-CD2 3.3Å; Y753-L786 WeakPolarHBondContact OH-CD2 3.42Å; Y753-L786 WeakPolarHBondContact OH-CG 3.46Å; Y753-K787 HydrophobicContact CD1-CB 3.9Å; Y753-K787 HydrophobicContact CD1-CD 3.93Å; Y753-K787 HydrophobicContact CD1-CG 4.27Å; Y753-K787 HydrophobicContact CD2-CD 4.39Å; Y753-K787 HydrophobicContact CE1-CB 3.59Å; Y753-K787 HydrophobicContact CE1-CD 4.5Å; Y753-K787 HydrophobicContact CE1-CG 4.35Å; Y753-K787 HydrophobicContact CE2-CB 4.46Å; Y753-K787 HydrophobicContact CG-CB 4.45Å; Y753-K787 HydrophobicContact CG-CD 3.87Å; Y753-K787 HydrophobicContact CG-CG 4.36Å; Y753-K787 PolarHBondContact O-NZ 3.4Å; Y753-K787 PolarHBondContact OH-N 3.46Å; Y753-E790 PolarHBondContact OH-OE1 3.35Å
754D88.4Confident85.1Confident110 Ų11075.1 Ų75.159%0.58837%0.371SS*.Hα-helixtrans-57.7-48.4174.6-61.5-25.6000110.7E750 Q751 L756 E757E750-D754 PolarHBondContact O-N 2.79Å; Q751-D754 PolarHBondContact O-N 3.48Å; D754-L756 PolarHBondContact O-N 3.25Å; D754-E757 PolarHBondContact O-N 2.85Å
755L88.1Confident85Confident19 Ų1977.2 Ų77.210%0.09938%0.38CS..Hα-helixtrans-62.9-23.2177.1-71.5175.6000113.7Q751 Y753 E757 E758 R764 R767 L768 H771Q751-L755 WeakPolarHBondContact O-CB 3.28Å; Q751-L755 VanDerWaalsContact O-CG 3.29Å; Q751-L755 WeakPolarHBondContact O-CG 3.29Å; Q751-L755 PolarHBondContact O-N 2.95Å; Y753-L755 VanDerWaalsContact C-N 3.35Å; Y753-L755 PolarHBondContact O-N 2.91Å; L755-E757 VanDerWaalsContact C-N 3.26Å; L755-E757 PolarHBondContact O-N 3.04Å; L755-E758 WeakPolarHBondContact O-CB 3.27Å; L755-R764 WeakPolarHBondContact O-CG 3.33Å; L755-R767 HydrophobicContact CD1-CB 4.18Å; L755-R767 HydrophobicContact CD2-CB 3.69Å; L755-R767 HydrophobicContact CD2-CG 4.32Å; L755-L768 HydrophobicContact CB-CD2 3.69Å; L755-L768 HydrophobicContact CB-CG 4.12Å; L755-L768 HydrophobicContact CD1-CD2 4.13Å; L755-H771 HydrophobicContact CD1-CB 3.97Å
756L85.2Confident85Confident34 Ų3479.2 Ų79.218%0.17839%0.387CS..THydrogen-bonded Turntrans-77-8.5175.5-78.4168.8000113.8V752 Y753 D754 L768 R784 K787V752-L756 HydrophobicContact CG1-CD1 4.11Å; V752-L756 WeakPolarHBondContact O-CB 3.3Å; V752-L756 WeakPolarHBondContact O-CD1 3.31Å; V752-L756 WeakPolarHBondContact O-CG 3.26Å; V752-L756 PolarHBondContact O-N 3.45Å; V752-L756 VanDerWaalsContact O-N 3.14Å; Y753-L756 HydrophobicContact CD1-CD1 4.49Å; Y753-L756 WeakPolarHBondContact O-CB 3.22Å; Y753-L756 PolarHBondContact O-N 2.89Å; Y753-L756 VanDerWaalsContact O-N 3.1Å; D754-L756 PolarHBondContact O-N 3.25Å; L756-L768 HydrophobicContact CD2-CD1 3.86Å; L756-L768 HydrophobicContact CG-CD1 4.42Å; L756-L768 HydrophobicContact CG-CD2 4.49Å; L756-R784 HydrophobicContact CD1-CG 4.06Å; L756-R784 HydrophobicContact CD2-CG 3.6Å; L756-K787 HydrophobicContact CB-CD 3.97Å; L756-K787 HydrophobicContact CD1-CB 4.34Å; L756-K787 HydrophobicContact CD1-CD 4.08Å
757E83.1Confident84.8Confident136 Ų13678.7 Ų78.764%0.63638%0.375SS*.THydrogen-bonded Turntrans-90.7-10.7174.9-53.3-168.2-179.100113.1D754 L755 E759 K787D754-E757 PolarHBondContact O-N 2.85Å; L755-E757 VanDerWaalsContact C-N 3.26Å; L755-E757 PolarHBondContact O-N 3.04Å; E757-E759 PolarHBondContact O-N 2.91Å; E757-K787 IonicContact OE1-NZ 2.69Å; E757-K787 PolarHBondContact OE1-NZ 3.38Å
758E86.4Confident85Confident56 Ų5671.2 Ų71.226%0.26234%0.34SS..  trans-60127.9178.3-174.165.2-90.900111.4L755 R764 R767L755-E758 WeakPolarHBondContact O-CB 3.27Å; E758-R764 HydrophobicContact CB-CB 4.05Å; E758-R764 HydrophobicContact CB-CG 4.41Å; E758-R764 HydrophobicContact CG-CB 4.19Å; E758-R764 PolarHBondContact O-NH1 3.12Å; E758-R767 IonicContact OE2-CZ 3.64Å; E758-R767 IonicContact OE2-NH1 3.98Å; E758-R767 PolarHBondContact OE2-NH1 3.31Å; E758-R767 IonicContact OE2-NH2 2.67Å; E758-R767 PolarHBondContact OE2-NH2 2.87Å
759E68.2Low85Confident187 Ų18776.5 Ų76.587%0.87436%0.358SS*.SBendtrans-73.9-35.4-173.3-67.5-169.7169.300112.4E757 E761E757-E759 PolarHBondContact O-N 2.91Å; E759-E761 PolarHBondContact O-N 2.97Å
760D81.9Confident84.9Confident89 Ų8982.8 Ų82.848%0.47639%0.387SS..  trans-77.7119.1178.7-170.3-81000111.7F762 D763 R764D760-F762 VanDerWaalsContact C-N 3.31Å; D760-F762 PolarHBondContact O-N 3.37Å; D760-F762 WeakPolarHBondContact OD1-CA 3.43Å; D760-F762 WeakPolarHBondContact OD1-CB 3.46Å; D760-F762 PolarHBondContact OD1-N 2.85Å; D760-D763 HydrophobicContact CB-CB 4.17Å; D760-D763 PolarHBondContact OD1-N 3.02Å; D760-R764 WeakPolarHBondContact O-CB 3.25Å; D760-R764 PolarHBondContact O-N 2.79Å
761E73.1Confident84.8Confident100 Ų10081 Ų8147%0.46738%0.378SS..Hα-helixtrans-65.2-31.1-177.1-179.3173.2-165.700113.6H159 E759 E765H159-E761 IonicContact CD2-OE1 3.69Å; H159-E761 IonicContact CD2-OE2 2.73Å; H159-E761 IonicContact CE1-OE1 2.7Å; H159-E761 VanDerWaalsContact NE2-CD 3.29Å; H159-E761 IonicContact NE2-OE1 3.93Å; H159-E761 PolarHBondContact NE2-OE1 3.5Å; H159-E761 IonicContact NE2-OE2 2.74Å; E759-E761 PolarHBondContact O-N 2.97Å; E761-E765 VanDerWaalsContact O-CB 3.27Å; E761-E765 WeakPolarHBondContact O-CB 3.35Å; E761-E765 PolarHBondContact O-N 3.28Å
762F75.9Confident84.8Confident163 Ų16376.6 Ų76.672%0.71536%0.358SS*.Hα-helixtrans-79.6-48.5-177.8-178.5-93.7000110.9D760 R764 E765 V766D760-F762 VanDerWaalsContact C-N 3.31Å; D760-F762 PolarHBondContact O-N 3.37Å; D760-F762 WeakPolarHBondContact OD1-CA 3.43Å; D760-F762 WeakPolarHBondContact OD1-CB 3.46Å; D760-F762 PolarHBondContact OD1-N 2.85Å; F762-R764 PolarHBondContact O-N 3.19Å; F762-E765 PolarHBondContact O-N 2.65Å; F762-V766 HydrophobicContact CD1-CG2 4.34Å; F762-V766 HydrophobicContact CE1-CG2 4.03Å; F762-V766 HydrophobicContact CZ-CG2 4.2Å; F762-V766 WeakPolarHBondContact O-CG2 3.4Å; F762-V766 PolarHBondContact O-N 2.93Å
763D78.4Confident84.9Confident60 Ų6078.4 Ų78.432%0.32138%0.376SS..Hα-helixtrans-62.1-44.4177.1-159.7-5000110.6D760 E765 V766 R767D760-D763 HydrophobicContact CB-CB 4.17Å; D760-D763 PolarHBondContact OD1-N 3.02Å; D763-E765 PolarHBondContact O-N 2.64Å; D763-V766 PolarHBondContact O-N 3.4Å; D763-R767 VanDerWaalsContact CG-NE 3.3Å; D763-R767 WeakPolarHBondContact O-CB 3.34Å; D763-R767 WeakPolarHBondContact O-CG 3.29Å; D763-R767 PolarHBondContact O-N 2.98Å; D763-R767 WeakPolarHBondContact OD1-CG 3.45Å; D763-R767 IonicContact OD1-CZ 2.74Å; D763-R767 IonicContact OD1-NE 3.53Å; D763-R767 PolarHBondContact OD1-NE 3.33Å; D763-R767 IonicContact OD1-NH2 3.59Å; D763-R767 IonicContact OD2-CZ 3.55Å; D763-R767 IonicContact OD2-NE 2.78Å; D763-R767 PolarHBondContact OD2-NE 2.78Å; D763-R767 IonicContact OD2-NH2 3.86Å; D763-R767 PolarHBondContact OD2-NH2 2.93Å
764R90.1Very high84.7Confident43 Ų4385.8 Ų85.816%0.16241%0.412CS..Hα-helixtrans-54.2-49172.3180169.269.3-140.50.6113.3L755 E758 D760 F762 L768L755-R764 WeakPolarHBondContact O-CG 3.33Å; E758-R764 HydrophobicContact CB-CB 4.05Å; E758-R764 HydrophobicContact CB-CG 4.41Å; E758-R764 HydrophobicContact CG-CB 4.19Å; E758-R764 PolarHBondContact O-NH1 3.12Å; D760-R764 WeakPolarHBondContact O-CB 3.25Å; D760-R764 PolarHBondContact O-N 2.79Å; F762-R764 PolarHBondContact O-N 3.19Å; R764-L768 HydrophobicContact CG-CD1 3.83Å; R764-L768 HydrophobicContact CG-CG 4.44Å; R764-L768 VanDerWaalsContact O-CB 3.26Å; R764-L768 WeakPolarHBondContact O-CB 3.27Å; R764-L768 WeakPolarHBondContact O-CD1 3.46Å; R764-L768 WeakPolarHBondContact O-CG 3.09Å; R764-L768 PolarHBondContact O-N 2.74Å
765E86.2Confident84.7Confident52 Ų5284.6 Ų84.624%0.24340%0.402CS..Hα-helixtrans-69.2-33.2-178.2-17864.3-15600112.1E761 F762 D763 R769 Y776 R784E761-E765 VanDerWaalsContact O-CB 3.27Å; E761-E765 WeakPolarHBondContact O-CB 3.35Å; E761-E765 PolarHBondContact O-N 3.28Å; F762-E765 PolarHBondContact O-N 2.65Å; D763-E765 PolarHBondContact O-N 2.64Å; E765-R769 WeakPolarHBondContact O-CB 3.5Å; E765-R769 PolarHBondContact O-N 3.03Å; E765-R769 IonicContact OE1-CZ 2.69Å; E765-R769 IonicContact OE1-NE 3.45Å; E765-R769 IonicContact OE1-NH2 3.61Å; E765-R769 PolarHBondContact OE1-NH2 3.48Å; E765-Y776 WeakPolarHBondContact OE1-CE1 3.19Å; E765-Y776 PolarHBondContact OE1-OH 3.23Å; E765-Y776 PolarHBondContact OE2-OH 2.68Å; E765-R784 IonicContact OE2-CZ 3.86Å; E765-R784 IonicContact OE2-NH1 3.57Å; E765-R784 IonicContact OE2-NH2 3.43Å; E765-R784 PolarHBondContact OE2-NH2 3.04Å
766V87.9Confident84.8Confident72 Ų7284.7 Ų84.744%0.43640%0.401SS..Hα-helixtrans-68.1-55.41731700000110.8F762 D763 L768 R769 E770F762-V766 HydrophobicContact CD1-CG2 4.34Å; F762-V766 HydrophobicContact CE1-CG2 4.03Å; F762-V766 HydrophobicContact CZ-CG2 4.2Å; F762-V766 WeakPolarHBondContact O-CG2 3.4Å; F762-V766 PolarHBondContact O-N 2.93Å; D763-V766 PolarHBondContact O-N 3.4Å; V766-L768 PolarHBondContact O-N 3.44Å; V766-R769 WeakPolarHBondContact O-CB 3.26Å; V766-R769 PolarHBondContact O-N 3.03Å; V766-R769 VanDerWaalsContact O-N 3.07Å; V766-E770 PolarHBondContact O-N 3.47Å
767R85.3Confident84.7Confident79 Ų7988.5 Ų88.530%0.29843%0.426SS..Hα-helixtrans-61.2-41-178.2-66.4-178.9-161.5178.110.4112.5L755 E758 D763 R769 E770 H771L755-R767 HydrophobicContact CD1-CB 4.18Å; L755-R767 HydrophobicContact CD2-CB 3.69Å; L755-R767 HydrophobicContact CD2-CG 4.32Å; E758-R767 IonicContact OE2-CZ 3.64Å; E758-R767 IonicContact OE2-NH1 3.98Å; E758-R767 PolarHBondContact OE2-NH1 3.31Å; E758-R767 IonicContact OE2-NH2 2.67Å; E758-R767 PolarHBondContact OE2-NH2 2.87Å; D763-R767 VanDerWaalsContact CG-NE 3.3Å; D763-R767 WeakPolarHBondContact O-CB 3.34Å; D763-R767 WeakPolarHBondContact O-CG 3.29Å; D763-R767 PolarHBondContact O-N 2.98Å; D763-R767 WeakPolarHBondContact OD1-CG 3.45Å; D763-R767 IonicContact OD1-CZ 2.74Å; D763-R767 IonicContact OD1-NE 3.53Å; D763-R767 PolarHBondContact OD1-NE 3.33Å; D763-R767 IonicContact OD1-NH2 3.59Å; D763-R767 IonicContact OD2-CZ 3.55Å; D763-R767 IonicContact OD2-NE 2.78Å; D763-R767 PolarHBondContact OD2-NE 2.78Å; D763-R767 IonicContact OD2-NH2 3.86Å; D763-R767 PolarHBondContact OD2-NH2 2.93Å; R767-R769 VanDerWaalsContact C-N 3.29Å; R767-R769 PolarHBondContact O-N 2.99Å; R767-E770 PolarHBondContact O-N 2.97Å; R767-H771 WeakPolarHBondContact O-CB 3.37Å; R767-H771 PolarHBondContact O-N 2.88Å; R767-H771 PolarHBondContact O-ND1 2.93Å
768L88.7Confident84.8Confident1 Ų185.8 Ų85.81%0.00542%0.418CS..Hα-helixtrans-61.4-38175.1-76.7171.4000111.9V752 L755 L756 R764 V766 M772 Y776 R784V752-L768 HydrophobicContact CB-CD2 4.28Å; V752-L768 HydrophobicContact CG1-CD2 3.94Å; V752-L768 HydrophobicContact CG2-CD2 4.14Å; L755-L768 HydrophobicContact CB-CD2 3.69Å; L755-L768 HydrophobicContact CB-CG 4.12Å; L755-L768 HydrophobicContact CD1-CD2 4.13Å; L756-L768 HydrophobicContact CD2-CD1 3.86Å; L756-L768 HydrophobicContact CG-CD1 4.42Å; L756-L768 HydrophobicContact CG-CD2 4.49Å; R764-L768 HydrophobicContact CG-CD1 3.83Å; R764-L768 HydrophobicContact CG-CG 4.44Å; R764-L768 VanDerWaalsContact O-CB 3.26Å; R764-L768 WeakPolarHBondContact O-CB 3.27Å; R764-L768 WeakPolarHBondContact O-CD1 3.46Å; R764-L768 WeakPolarHBondContact O-CG 3.09Å; R764-L768 PolarHBondContact O-N 2.74Å; V766-L768 PolarHBondContact O-N 3.44Å; L768-M772 HydrophobicContact CD2-SD 4.34Å; L768-M772 WeakPolarHBondContact O-CB 3.04Å; L768-M772 WeakPolarHBondContact O-CG 3.17Å; L768-M772 PolarHBondContact O-N 3.4Å; L768-Y776 HydrophobicContact CB-CD2 4.3Å; L768-Y776 HydrophobicContact CB-CE2 3.86Å; L768-R784 VanDerWaalsContact CD1-NH2 3.31Å
769R88.1Confident84.9Confident139 Ų13985.1 Ų85.153%0.52541%0.414SS..Hα-helixtrans-72.1-36.1178.4-165172.9-59.3-170.53.3112.2E765 V766 R767 G773 Y776E765-R769 WeakPolarHBondContact O-CB 3.5Å; E765-R769 PolarHBondContact O-N 3.03Å; E765-R769 IonicContact OE1-CZ 2.69Å; E765-R769 IonicContact OE1-NE 3.45Å; E765-R769 IonicContact OE1-NH2 3.61Å; E765-R769 PolarHBondContact OE1-NH2 3.48Å; V766-R769 WeakPolarHBondContact O-CB 3.26Å; V766-R769 PolarHBondContact O-N 3.03Å; V766-R769 VanDerWaalsContact O-N 3.07Å; R767-R769 VanDerWaalsContact C-N 3.29Å; R767-R769 PolarHBondContact O-N 2.99Å; R769-G773 WeakPolarHBondContact O-CA 3.29Å; R769-G773 PolarHBondContact O-N 3.19Å; R769-Y776 HydrophobicContact CB-CD1 4.48Å; R769-Y776 HydrophobicContact CB-CD2 4.4Å; R769-Y776 HydrophobicContact CB-CG 4.3Å; R769-Y776 HydrophobicContact CG-CD1 4.12Å; R769-Y776 HydrophobicContact CG-CG 4.17Å
770E89.3Confident85.7Confident143 Ų14376.6 Ų76.667%0.66838%0.375SS*.Hα-helixtrans-64.9-49.1173-175.2173.4-146.900111.8V766 R767V766-E770 PolarHBondContact O-N 3.47Å; R767-E770 PolarHBondContact O-N 2.97Å
771H87Confident85.6Confident84 Ų8476 Ų7639%0.38937%0.374SS..Hα-helixtrans-74.2-39.1-176.9-72.667.2000113.2L748 L755 R767L748-H771 HydrophobicContact CD1-CB 4.44Å; L748-H771 WeakPolarHBondContact CD1-O 3.46Å; L755-H771 HydrophobicContact CD1-CB 3.97Å; R767-H771 WeakPolarHBondContact O-CB 3.37Å; R767-H771 PolarHBondContact O-N 2.88Å; R767-H771 PolarHBondContact O-ND1 2.93Å
772M89Confident86.2Confident7 Ų773.9 Ų73.93%0.03436%0.363CS..Hα-helixtrans-82.7-21.3179.6-59.1-179.878.300113L744 V752 L768 E774 K775 Y776L744-M772 HydrophobicContact CD1-CE 3.7Å; L744-M772 HydrophobicContact CD2-CE 3.61Å; L744-M772 HydrophobicContact CG-CE 4.3Å; V752-M772 HydrophobicContact CG1-SD 4.19Å; V752-M772 HydrophobicContact CG2-CE 4.21Å; V752-M772 HydrophobicContact CG2-CG 3.42Å; V752-M772 VanDerWaalsContact CG2-CG 3.42Å; V752-M772 HydrophobicContact CG2-SD 3.68Å; L768-M772 HydrophobicContact CD2-SD 4.34Å; L768-M772 WeakPolarHBondContact O-CB 3.04Å; L768-M772 WeakPolarHBondContact O-CG 3.17Å; L768-M772 PolarHBondContact O-N 3.4Å; M772-E774 PolarHBondContact O-N 2.84Å; M772-K775 WeakPolarHBondContact O-CA 3.34Å; M772-K775 VanDerWaalsContact O-CB 3.28Å; M772-K775 WeakPolarHBondContact O-CB 3.47Å; M772-K775 PolarHBondContact O-N 3.21Å; M772-Y776 HydrophobicContact CB-CD2 4.11Å; M772-Y776 HydrophobicContact CG-CD2 4.36Å; M772-Y776 HydrophobicContact SD-CD2 3.71Å; M772-Y776 HydrophobicContact SD-CE2 4.2Å
773G91.1Very high86.7Confident38 Ų3866.1 Ų66.139%0.39233%0.329SS..G310 helixtrans51.8-132.1-179.400000112.8R769 K775 Y776R769-G773 WeakPolarHBondContact O-CA 3.29Å; R769-G773 PolarHBondContact O-N 3.19Å; G773-K775 PolarHBondContact O-N 3.01Å; G773-K775 VanDerWaalsContact O-N 3.13Å; G773-Y776 WeakPolarHBondContact O-CB 3.43Å; G773-Y776 PolarHBondContact O-N 3.13Å
774E87.1Confident87.1Confident190 Ų19067.2 Ų67.289%0.88833%0.329SS*.G310 helixtrans-58-24176.7-61.7178.617100113.6M772 Y776 T777M772-E774 PolarHBondContact O-N 2.84Å; E774-Y776 PolarHBondContact O-N 2.7Å; E774-T777 PolarHBondContact O-OG1 2.67Å
775K88.9Confident86.5Confident85 Ų8568.6 Ų68.637%0.3734%0.337SS..G310 helixtrans-75.6-11.8176.8-49.6-173.6-175.6-172.90112.7G743 L744 L748 M772 G773 T777 T778 Y779G743-K775 WeakPolarHBondContact O-CD 3.47Å; G743-K775 WeakPolarHBondContact O-CE 3.26Å; G743-K775 PolarHBondContact O-NZ 2.67Å; L744-K775 HydrophobicContact CD2-CB 3.78Å; L744-K775 HydrophobicContact CD2-CD 3.8Å; L744-K775 HydrophobicContact CD2-CG 4.47Å; L744-K775 PolarHBondContact O-NZ 2.76Å; L744-K775 VanDerWaalsContact O-NZ 3.07Å; L748-K775 HydrophobicContact CD2-CD 4.24Å; M772-K775 WeakPolarHBondContact O-CA 3.34Å; M772-K775 VanDerWaalsContact O-CB 3.28Å; M772-K775 WeakPolarHBondContact O-CB 3.47Å; M772-K775 PolarHBondContact O-N 3.21Å; G773-K775 PolarHBondContact O-N 3.01Å; G773-K775 VanDerWaalsContact O-N 3.13Å; K775-T777 PolarHBondContact O-N 2.94Å; K775-T778 PolarHBondContact O-N 3.44Å; K775-Y779 HydrophobicContact CB-CD2 4.18Å; K775-Y779 WeakPolarHBondContact O-CB 3.49Å; K775-Y779 PolarHBondContact O-N 2.93Å
776Y89.3Confident86.4Confident21 Ų2166.1 Ų66.18%0.08233%0.326CS..Hα-helixtrans-57.7-48.2-175.2-176.8-101.7000112.3E765 L768 R769 M772 G773 E774 T778 S780 R784E765-Y776 WeakPolarHBondContact OE1-CE1 3.19Å; E765-Y776 PolarHBondContact OE1-OH 3.23Å; E765-Y776 PolarHBondContact OE2-OH 2.68Å; L768-Y776 HydrophobicContact CB-CD2 4.3Å; L768-Y776 HydrophobicContact CB-CE2 3.86Å; R769-Y776 HydrophobicContact CB-CD1 4.48Å; R769-Y776 HydrophobicContact CB-CD2 4.4Å; R769-Y776 HydrophobicContact CB-CG 4.3Å; R769-Y776 HydrophobicContact CG-CD1 4.12Å; R769-Y776 HydrophobicContact CG-CG 4.17Å; M772-Y776 HydrophobicContact CB-CD2 4.11Å; M772-Y776 HydrophobicContact CG-CD2 4.36Å; M772-Y776 HydrophobicContact SD-CD2 3.71Å; M772-Y776 HydrophobicContact SD-CE2 4.2Å; G773-Y776 WeakPolarHBondContact O-CB 3.43Å; G773-Y776 PolarHBondContact O-N 3.13Å; E774-Y776 PolarHBondContact O-N 2.7Å; Y776-T778 PolarHBondContact O-N 3.14Å; Y776-S780 WeakPolarHBondContact O-CB 3.49Å; Y776-S780 PolarHBondContact O-N 3.37Å; Y776-S780 PolarHBondContact O-OG 2.77Å; Y776-R784 PolarHBondContact OH-NH1 2.88Å; Y776-R784 PolarHBondContact OH-NH2 3.41Å
777T83.3Confident86.3Confident113 Ų11363.3 Ų63.369%0.69331%0.308SS*.Hα-helixtrans-59.7-47.2-179480000112.2E774 K775E774-T777 PolarHBondContact O-OG1 2.67Å; K775-T777 PolarHBondContact O-N 2.94Å
778T86.3Confident86.1Confident79 Ų7963.6 Ų63.649%0.48531%0.311SS..Hα-helixtrans-80.2-29.5-173.4-51.20000114K775 Y776K775-T778 PolarHBondContact O-N 3.44Å; Y776-T778 PolarHBondContact O-N 3.14Å
779Y88.9Confident85.6Confident43 Ų4366 Ų6617%0.16932%0.321CS..Hα-helixtrans-121.4-12.6-169.1-68.4-82.5000115.9G743 L744 K775 V781 K782 A783G743-Y779 VanDerWaalsContact CA-CZ 3.49Å; L744-Y779 HydrophobicContact CD2-CD2 4.42Å; L744-Y779 HydrophobicContact CD2-CG 4.13Å; L744-Y779 HydrophobicContact CG-CG 4.24Å; K775-Y779 HydrophobicContact CB-CD2 4.18Å; K775-Y779 WeakPolarHBondContact O-CB 3.49Å; K775-Y779 PolarHBondContact O-N 2.93Å; Y779-V781 PolarHBondContact O-N 3.34Å; Y779-K782 HydrophobicContact CD1-CD 3.83Å; Y779-K782 HydrophobicContact CE1-CD 4.08Å; Y779-K782 PolarHBondContact O-N 2.69Å; Y779-A783 WeakPolarHBondContact O-CB 3.46Å; Y779-A783 PolarHBondContact O-N 2.85Å
780S84.8Confident85.1Confident8 Ų861.6 Ų61.66%0.05631%0.307CS..Hα-helixtrans-56.7-47.7177.755.70000112.7Y776 A783 R784Y776-S780 WeakPolarHBondContact O-CB 3.49Å; Y776-S780 PolarHBondContact O-N 3.37Å; Y776-S780 PolarHBondContact O-OG 2.77Å; S780-A783 PolarHBondContact O-N 3.26Å; S780-R784 WeakPolarHBondContact O-CB 3.33Å; S780-R784 VanDerWaalsContact O-CG 3.24Å; S780-R784 WeakPolarHBondContact O-CG 3.47Å; S780-R784 PolarHBondContact O-N 3.39Å
781V80Confident84.4Confident75 Ų7560 Ų6046%0.45530%0.299SS..Hα-helixtrans-63.3-42.9176.8-179.40000111.1Y779 R784 Q785Y779-V781 PolarHBondContact O-N 3.34Å; V781-R784 PolarHBondContact O-N 3.31Å; V781-Q785 WeakPolarHBondContact O-CB 3.48Å; V781-Q785 VanDerWaalsContact O-CG 3.27Å; V781-Q785 WeakPolarHBondContact O-CG 3.19Å; V781-Q785 PolarHBondContact O-N 2.93Å
782K85.4Confident83.2Confident57 Ų5759.5 Ų59.525%0.24830%0.3CS..Hα-helixtrans-67.1-40.2-179.7-59.7-177.2-179.7-179.40112.1L736 D739 V740 Y779 Q785 L786L736-K782 HydrophobicContact CD1-CB 4.07Å; L736-K782 HydrophobicContact CD1-CG 4.42Å; D739-K782 WeakPolarHBondContact OD2-CD 3.12Å; D739-K782 IonicContact OD2-NZ 3.95Å; D739-K782 PolarHBondContact OD2-NZ 2.78Å; V740-K782 HydrophobicContact CG2-CB 3.53Å; Y779-K782 HydrophobicContact CD1-CD 3.83Å; Y779-K782 HydrophobicContact CE1-CD 4.08Å; Y779-K782 PolarHBondContact O-N 2.69Å; K782-Q785 PolarHBondContact O-N 2.89Å; K782-L786 VanDerWaalsContact O-CB 3.29Å; K782-L786 WeakPolarHBondContact O-CB 3.26Å; K782-L786 PolarHBondContact O-N 3.45Å
783A85.9Confident81.8Confident0 Ų060.5 Ų60.50%031%0.305CS..Hα-helixtrans-69-41.7176.200000111.9V740 L744 L749 V752 Y779 S780 Q785 L786 K787V740-A783 HydrophobicContact CG1-CB 4.32Å; L744-A783 HydrophobicContact CD1-CB 4.1Å; L749-A783 HydrophobicContact CD1-CB 4.11Å; V752-A783 HydrophobicContact CG1-CB 3.85Å; Y779-A783 WeakPolarHBondContact O-CB 3.46Å; Y779-A783 PolarHBondContact O-N 2.85Å; S780-A783 PolarHBondContact O-N 3.26Å; A783-Q785 PolarHBondContact O-N 3.32Å; A783-L786 PolarHBondContact O-N 2.96Å; A783-K787 PolarHBondContact O-N 3.07Å
784R86.1Confident79.8Confident82 Ų8266.6 Ų66.631%0.30933%0.328SS..Hα-helixtrans-59-44.7171.8-75169.3-179.4172.22.4111.7L756 E765 L768 Y776 S780 V781 F788L756-R784 HydrophobicContact CD1-CG 4.06Å; L756-R784 HydrophobicContact CD2-CG 3.6Å; E765-R784 IonicContact OE2-CZ 3.86Å; E765-R784 IonicContact OE2-NH1 3.57Å; E765-R784 IonicContact OE2-NH2 3.43Å; E765-R784 PolarHBondContact OE2-NH2 3.04Å; L768-R784 VanDerWaalsContact CD1-NH2 3.31Å; Y776-R784 PolarHBondContact OH-NH1 2.88Å; Y776-R784 PolarHBondContact OH-NH2 3.41Å; S780-R784 WeakPolarHBondContact O-CB 3.33Å; S780-R784 VanDerWaalsContact O-CG 3.24Å; S780-R784 WeakPolarHBondContact O-CG 3.47Å; S780-R784 PolarHBondContact O-N 3.39Å; V781-R784 PolarHBondContact O-N 3.31Å; R784-F788 WeakPolarHBondContact O-CB 3.38Å; R784-F788 PolarHBondContact O-N 3.07Å; R784-F788 VanDerWaalsContact O-N 3.14Å
785Q77.4Confident77.9Confident72 Ų7264.8 Ų64.834%0.33632%0.318SS..Hα-helixtrans-64.3-41.3174.4-75.3171.7-11.100112.3L736 V781 K782 A783 F789L736-Q785 HydrophobicContact CD2-CB 3.97Å; V781-Q785 WeakPolarHBondContact O-CB 3.48Å; V781-Q785 VanDerWaalsContact O-CG 3.27Å; V781-Q785 WeakPolarHBondContact O-CG 3.19Å; V781-Q785 PolarHBondContact O-N 2.93Å; K782-Q785 PolarHBondContact O-N 2.89Å; A783-Q785 PolarHBondContact O-N 3.32Å; Q785-F789 WeakPolarHBondContact O-CD2 3.17Å; Q785-F789 WeakPolarHBondContact O-CG 3.37Å; Q785-F789 PolarHBondContact O-N 3.44Å
786L85.6Confident77.3Confident0 Ų063.8 Ų63.80%032%0.315CS..Hα-helixtrans-68.6-45.7-179.4-174.366.7000112.1V733 L736 R737 V740 L749 Y753 K782 A783 F788 F789 E790V733-L786 HydrophobicContact CG1-CD1 4.29Å; L736-L786 HydrophobicContact CB-CD1 4.4Å; L736-L786 HydrophobicContact CD2-CB 4.05Å; L736-L786 HydrophobicContact CD2-CD1 4.21Å; L736-L786 HydrophobicContact CG-CB 4.28Å; L736-L786 HydrophobicContact CG-CD1 4.16Å; R737-L786 HydrophobicContact CB-CD1 3.75Å; R737-L786 HydrophobicContact CB-CD2 4.32Å; R737-L786 HydrophobicContact CG-CD1 4.17Å; R737-L786 HydrophobicContact CG-CD2 4.16Å; V740-L786 HydrophobicContact CB-CD2 3.8Å; V740-L786 HydrophobicContact CG1-CD2 3.9Å; V740-L786 HydrophobicContact CG2-CB 4.49Å; V740-L786 HydrophobicContact CG2-CD2 4.14Å; L749-L786 HydrophobicContact CD2-CD2 4.01Å; Y753-L786 VanDerWaalsContact OH-CD2 3.3Å; Y753-L786 WeakPolarHBondContact OH-CD2 3.42Å; Y753-L786 WeakPolarHBondContact OH-CG 3.46Å; K782-L786 VanDerWaalsContact O-CB 3.29Å; K782-L786 WeakPolarHBondContact O-CB 3.26Å; K782-L786 PolarHBondContact O-N 3.45Å; A783-L786 PolarHBondContact O-N 2.96Å; L786-F788 VanDerWaalsContact C-N 3.34Å; L786-F788 PolarHBondContact O-N 2.8Å; L786-F789 PolarHBondContact O-N 3.44Å; L786-F789 VanDerWaalsContact O-N 3.11Å; L786-E790 HydrophobicContact CD1-CG 4.34Å; L786-E790 WeakPolarHBondContact CD1-OE1 3.12Å; L786-E790 HydrophobicContact CG-CG 4.41Å; L786-E790 VanDerWaalsContact CG-OE1 3.26Å; L786-E790 WeakPolarHBondContact CG-OE1 3.46Å; L786-E790 WeakPolarHBondContact O-CG 3.49Å; L786-E790 PolarHBondContact O-N 3.44Å
787K85.3Confident76.7Confident14 Ų1466 Ų666%0.06133%0.327CS..Hα-helixtrans-56-50.2173.6-177.1160.3178.2157.90110.6Y753 L756 E757 A783 F789 E790 E791Y753-K787 HydrophobicContact CD1-CB 3.9Å; Y753-K787 HydrophobicContact CD1-CD 3.93Å; Y753-K787 HydrophobicContact CD1-CG 4.27Å; Y753-K787 HydrophobicContact CD2-CD 4.39Å; Y753-K787 HydrophobicContact CE1-CB 3.59Å; Y753-K787 HydrophobicContact CE1-CD 4.5Å; Y753-K787 HydrophobicContact CE1-CG 4.35Å; Y753-K787 HydrophobicContact CE2-CB 4.46Å; Y753-K787 HydrophobicContact CG-CB 4.45Å; Y753-K787 HydrophobicContact CG-CD 3.87Å; Y753-K787 HydrophobicContact CG-CG 4.36Å; Y753-K787 PolarHBondContact O-NZ 3.4Å; Y753-K787 PolarHBondContact OH-N 3.46Å; L756-K787 HydrophobicContact CB-CD 3.97Å; L756-K787 HydrophobicContact CD1-CB 4.34Å; L756-K787 HydrophobicContact CD1-CD 4.08Å; E757-K787 IonicContact OE1-NZ 2.69Å; E757-K787 PolarHBondContact OE1-NZ 3.38Å; A783-K787 PolarHBondContact O-N 3.07Å; K787-F789 VanDerWaalsContact C-N 3.28Å; K787-F789 PolarHBondContact O-N 3Å; K787-E790 PolarHBondContact O-N 3.38Å; K787-E791 VanDerWaalsContact CE-CD 3.49Å; K787-E791 WeakPolarHBondContact CE-OE1 3.41Å; K787-E791 HydrophobicContact CG-CG 4.1Å; K787-E791 IonicContact NZ-OE1 2.65Å; K787-E791 WeakPolarHBondContact O-CG 3.42Å; K787-E791 PolarHBondContact O-N 3.41Å
788F80.3Confident76.3Confident84 Ų8463.4 Ų63.437%0.36831%0.307SS..Hα-helixtrans-53.3-42.9175.2173.8-93.5000112.7M162 R784 L786 N792M162-F788 HydrophobicContact SD-CE2 4.09Å; M162-F788 HydrophobicContact SD-CZ 4.43Å; R784-F788 WeakPolarHBondContact O-CB 3.38Å; R784-F788 PolarHBondContact O-N 3.07Å; R784-F788 VanDerWaalsContact O-N 3.14Å; L786-F788 VanDerWaalsContact C-N 3.34Å; L786-F788 PolarHBondContact O-N 2.8Å; F788-N792 VanDerWaalsContact O-CB 3.28Å; F788-N792 WeakPolarHBondContact O-CB 3.42Å; F788-N792 PolarHBondContact O-N 3.47Å; F788-N792 VanDerWaalsContact O-N 3.15Å; F788-N792 PolarHBondContact O-ND2 3.13Å
789F77.8Confident75.7Confident51 Ų5162.5 Ų62.522%0.22430%0.297CS..Hα-helixtrans-71.6-38.3176.1-72.9-53.5000113.5V733 L736 Q785 L786 K787 M793V733-F789 HydrophobicContact CG1-CB 3.97Å; V733-F789 HydrophobicContact CG2-CB 3.79Å; V733-F789 HydrophobicContact CG2-CD1 4.07Å; V733-F789 HydrophobicContact CG2-CD2 4.06Å; V733-F789 HydrophobicContact CG2-CG 3.72Å; L736-F789 HydrophobicContact CD2-CD2 3.93Å; L736-F789 HydrophobicContact CD2-CE2 4.19Å; Q785-F789 WeakPolarHBondContact O-CD2 3.17Å; Q785-F789 WeakPolarHBondContact O-CG 3.37Å; Q785-F789 PolarHBondContact O-N 3.44Å; L786-F789 PolarHBondContact O-N 3.44Å; L786-F789 VanDerWaalsContact O-N 3.11Å; K787-F789 VanDerWaalsContact C-N 3.28Å; K787-F789 PolarHBondContact O-N 3Å; F789-M793 HydrophobicContact CD1-CE 3.81Å; F789-M793 HydrophobicContact CE1-CE 4.21Å; F789-M793 WeakPolarHBondContact O-CB 3.38Å; F789-M793 WeakPolarHBondContact O-CG 3.28Å; F789-M793 PolarHBondContact O-N 2.96Å
790E79.4Confident74.9Confident48 Ų4863.7 Ų63.722%0.22431%0.305CS..Hα-helixtrans-70.1-35.1179.8-71.1-177.7-156.600112.4R737 Y753 L786 K787R737-E790 IonicContact CZ-OE1 2.78Å; R737-E790 IonicContact CZ-OE2 2.93Å; R737-E790 VanDerWaalsContact NE-CD 3.35Å; R737-E790 IonicContact NE-OE1 3.74Å; R737-E790 PolarHBondContact NE-OE1 3.49Å; R737-E790 IonicContact NE-OE2 3.03Å; R737-E790 IonicContact NH2-OE1 3.59Å; R737-E790 PolarHBondContact NH2-OE1 3.13Å; R737-E790 IonicContact NH2-OE2 3.67Å; R737-E790 PolarHBondContact NH2-OE2 3.02Å; Y753-E790 PolarHBondContact OH-OE1 3.35Å; L786-E790 HydrophobicContact CD1-CG 4.34Å; L786-E790 WeakPolarHBondContact CD1-OE1 3.12Å; L786-E790 HydrophobicContact CG-CG 4.41Å; L786-E790 VanDerWaalsContact CG-OE1 3.26Å; L786-E790 WeakPolarHBondContact CG-OE1 3.46Å; L786-E790 WeakPolarHBondContact O-CG 3.49Å; L786-E790 PolarHBondContact O-N 3.44Å; K787-E790 PolarHBondContact O-N 3.38Å
791E74.4Confident74.3Confident108 Ų10867.4 Ų67.451%0.50532%0.321SS..Hα-helixtrans-73.8-40175.5-66.8172.913800113K787K787-E791 VanDerWaalsContact CE-CD 3.49Å; K787-E791 WeakPolarHBondContact CE-OE1 3.41Å; K787-E791 HydrophobicContact CG-CG 4.1Å; K787-E791 IonicContact NZ-OE1 2.65Å; K787-E791 WeakPolarHBondContact O-CG 3.42Å; K787-E791 PolarHBondContact O-N 3.41Å
792N60.6Low73.9Confident74 Ų7466.9 Ų66.940%0.39631%0.312SS..Hα-helixtrans-94.2-5.3-173.9-66-89.3000113.5F788F788-N792 VanDerWaalsContact O-CB 3.28Å; F788-N792 WeakPolarHBondContact O-CB 3.42Å; F788-N792 PolarHBondContact O-N 3.47Å; F788-N792 VanDerWaalsContact O-N 3.15Å; F788-N792 PolarHBondContact O-ND2 3.13Å
793M61.2Low73Confident29 Ų2967.6 Ų67.614%0.14332%0.317CS..  trans-113.687.6172.1-54.2-80.3176.100109.7N212 I729 F789 F795N212-M793 HydrophobicContact CB-CE 4.28Å; N212-M793 VanDerWaalsContact CG-CE 3.42Å; N212-M793 WeakPolarHBondContact ND2-CE 3.4Å; N212-M793 PolarHBondContact ND2-SD 2.98Å; N212-M793 WeakPolarHBondContact OD1-CE 3.45Å; I729-M793 HydrophobicContact CG2-CE 3.68Å; I729-M793 HydrophobicContact CG2-SD 4.28Å; F789-M793 HydrophobicContact CD1-CE 3.81Å; F789-M793 HydrophobicContact CE1-CE 4.21Å; F789-M793 WeakPolarHBondContact O-CB 3.38Å; F789-M793 WeakPolarHBondContact O-CG 3.28Å; F789-M793 PolarHBondContact O-N 2.96Å; M793-F795 HydrophobicContact CB-CD2 4Å; M793-F795 HydrophobicContact CB-CE2 3.79Å; M793-F795 WeakPolarHBondContact O-CD2 3.32Å; M793-F795 PolarHBondContact O-N 3.43Å
794N48.1Very low71.9Confident165 Ų16573.3 Ų73.388%0.88234%0.343SS*.  trans-62.2107.5160.8-79-58.4000108.4
795F46.7Very low70.6Confident152 Ų15272.5 Ų72.567%0.66735%0.346SS*.  trans-74.60-172.4-95.8-96.6000113.9R730 V733 M793R730-F795 HydrophobicContact CB-CE1 4.01Å; R730-F795 HydrophobicContact CG-CD1 4.2Å; R730-F795 HydrophobicContact CG-CE1 3.57Å; R730-F795 HydrophobicContact CG-CZ 4.21Å; R730-F795 PolarHBondContact NH2-OXT 2.78Å; V733-F795 HydrophobicContact CB-CZ 4.32Å; V733-F795 HydrophobicContact CG1-CE2 4.25Å; V733-F795 HydrophobicContact CG1-CZ 4.08Å; M793-F795 HydrophobicContact CB-CD2 4Å; M793-F795 HydrophobicContact CB-CE2 3.79Å; M793-F795 WeakPolarHBondContact O-CD2 3.32Å; M793-F795 PolarHBondContact O-N 3.43Å

Retrieved 795 of 795 residues in 325.7 ms (Link to these results)

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