A0A087XCA2_POEFO Loading...

Golgi associated, gamma adaptin ear containing, ARF binding protein 3a

AlphaFold DB , UniProt , Accession A0A087XCA2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 742 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
1M34.1Very low68.7Low246 Ų24688 Ų88100%1.21250%0.501SS*.  0149.20-74.7140.6167.600107.2
2A33.5Very low71Confident77 Ų7780.9 Ų80.964%0.63646%0.46SS*.  trans-73.7146.4170.900000109.1D4A2-D4 VanDerWaalsContact C-N 3.29Å; A2-D4 PolarHBondContact O-N 3.3Å
3D38.7Very low73Confident160 Ų16081.2 Ų81.286%0.85646%0.46SS*.  trans-82.782.1166.4-175.338.8000107.4G5D3-G5 PolarHBondContact O-N 3.45Å
4D44.3Very low74.6Confident144 Ų14479.7 Ų79.777%0.7745%0.446SS*.  trans-71.176.8174.6-74.8-46000108.7A2 E6A2-D4 VanDerWaalsContact C-N 3.29Å; A2-D4 PolarHBondContact O-N 3.3Å; D4-E6 PolarHBondContact O-N 3.31Å
5G55.8Low76.1Confident50 Ų5074.5 Ų74.552%0.51542%0.417SS..PPolyproline II helixtrans-51.2124.3-171.500000112.5D3 S7D3-G5 PolarHBondContact O-N 3.45Å; G5-S7 PolarHBondContact O-N 2.81Å
6E77.2Confident77.3Confident72 Ų7269.8 Ų69.834%0.33639%0.391SS..PPolyproline II helixtrans-57.9124-168.7-70.3-159.7-159.700113.1D4 S10 W11 K14D4-E6 PolarHBondContact O-N 3.31Å; E6-S10 PolarHBondContact OE2-OG 2.82Å; E6-W11 HydrophobicContact CB-CZ2 4.33Å; E6-W11 PolarHBondContact O-NE1 3.01Å; E6-K14 IonicContact OE1-NZ 3.33Å; E6-K14 PolarHBondContact OE1-NZ 2.68Å; E6-K14 WeakPolarHBondContact OE2-CE 3.17Å; E6-K14 IonicContact OE2-NZ 3.49Å; E6-K14 PolarHBondContact OE2-NZ 2.74Å
7S91.9Very high78.4Confident49 Ų4969.2 Ų69.234%0.34339%0.386SS..PPolyproline II helixtrans-72.1164.5-178.184.80000112.5G5 E9 S10 W11G5-S7 PolarHBondContact O-N 2.81Å; S7-E9 VanDerWaalsContact CB-OE2 3.31Å; S7-E9 WeakPolarHBondContact CB-OE2 3.42Å; S7-E9 PolarHBondContact O-N 3.22Å; S7-E9 PolarHBondContact OG-N 2.63Å; S7-E9 PolarHBondContact OG-OE2 3.16Å; S7-S10 WeakPolarHBondContact O-CA 3.43Å; S7-S10 WeakPolarHBondContact O-CB 3.43Å; S7-S10 PolarHBondContact O-N 3.08Å; S7-S10 PolarHBondContact OG-N 3.18Å; S7-W11 VanDerWaalsContact O-CD1 3.28Å; S7-W11 PolarHBondContact O-N 2.8Å; S7-W11 VanDerWaalsContact O-N 3.08Å
8L93.9Very high79.2Confident1 Ų168.2 Ų68.21%0.00538%0.383CS..Hα-helixtrans-53.2-34.7173.9-71.6171.2000112.9L12 F31 Q34 I35 E38 I44 L48L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 PolarHBondContact O-N 2.89Å; L8-F31 HydrophobicContact CB-CE2 4.03Å; L8-F31 HydrophobicContact CD2-CD2 3.81Å; L8-F31 HydrophobicContact CD2-CE2 3.75Å; L8-F31 WeakPolarHBondContact O-CE2 3.46Å; L8-Q34 HydrophobicContact CD2-CB 3.86Å; L8-Q34 HydrophobicContact CD2-CG 3.75Å; L8-Q34 HydrophobicContact CG-CG 4.05Å; L8-I35 HydrophobicContact CD2-CG1 3.75Å; L8-E38 WeakPolarHBondContact CD1-OE2 3.29Å; L8-I44 HydrophobicContact CB-CG2 4.41Å; L8-I44 HydrophobicContact CD1-CB 3.98Å; L8-I44 HydrophobicContact CD1-CG2 3.85Å; L8-L48 HydrophobicContact CB-CD1 3.98Å
9E94.8Very high80Confident77 Ų7769.8 Ų69.836%0.3640%0.399SS..Hα-helixtrans-67-38172.7-60.474.3-163.900112.6S7 N13 L48S7-E9 VanDerWaalsContact CB-OE2 3.31Å; S7-E9 WeakPolarHBondContact CB-OE2 3.42Å; S7-E9 PolarHBondContact O-N 3.22Å; S7-E9 PolarHBondContact OG-N 2.63Å; S7-E9 PolarHBondContact OG-OE2 3.16Å; E9-N13 VanDerWaalsContact O-CB 3.23Å; E9-N13 WeakPolarHBondContact O-CB 3.5Å; E9-N13 VanDerWaalsContact O-CG 3.29Å; E9-N13 PolarHBondContact O-N 3.19Å; E9-N13 PolarHBondContact O-ND2 2.87Å; E9-L48 HydrophobicContact CG-CD1 3.87Å; E9-L48 HydrophobicContact CG-CD2 3.92Å
10S95.2Very high80.5Confident40 Ų4068 Ų6828%0.2839%0.388SS..Hα-helixtrans-62.7-57.5175.8-175.50000110.4E6 S7 L12 N13 K14E6-S10 PolarHBondContact OE2-OG 2.82Å; S7-S10 WeakPolarHBondContact O-CA 3.43Å; S7-S10 WeakPolarHBondContact O-CB 3.43Å; S7-S10 PolarHBondContact O-N 3.08Å; S7-S10 PolarHBondContact OG-N 3.18Å; S10-L12 PolarHBondContact O-N 2.81Å; S10-N13 PolarHBondContact O-N 3.37Å; S10-N13 VanDerWaalsContact O-N 3.16Å; S10-K14 WeakPolarHBondContact O-CG 3.44Å; S10-K14 PolarHBondContact O-N 3.2Å
11W95.9Very high80.9Confident52 Ų5276.6 Ų76.620%0.19741%0.414CS..Hα-helixtrans-54.7-48.3-179.4-73.1105.4000112.1E6 S7 K14 A15 Y27 F31E6-W11 HydrophobicContact CB-CZ2 4.33Å; E6-W11 PolarHBondContact O-NE1 3.01Å; S7-W11 VanDerWaalsContact O-CD1 3.28Å; S7-W11 PolarHBondContact O-N 2.8Å; S7-W11 VanDerWaalsContact O-N 3.08Å; W11-K14 PolarHBondContact O-N 2.85Å; W11-A15 WeakPolarHBondContact O-CB 3.3Å; W11-A15 PolarHBondContact O-N 3.07Å; W11-Y27 AromaticContact CE3-CD1 3.78Å; W11-Y27 HydrophobicContact CE3-CD1 3.78Å; W11-Y27 AromaticContact CZ3-CD1 3.65Å; W11-Y27 HydrophobicContact CZ3-CD1 3.65Å; W11-Y27 HydrophobicContact CZ3-CE1 4.31Å; W11-F31 HydrophobicContact CB-CB 3.94Å; W11-F31 HydrophobicContact CB-CD2 3.95Å; W11-F31 HydrophobicContact CB-CG 4.43Å
12L97.1Very high83.4Confident3 Ų372 Ų722%0.01639%0.39CS..Hα-helixtrans-67.4-38.9179.7-170.167.7000112.7L8 S10 K14 A15 T16 F31 L48 L49 K52 V67L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 PolarHBondContact O-N 2.89Å; S10-L12 PolarHBondContact O-N 2.81Å; L12-K14 VanDerWaalsContact C-N 3.28Å; L12-K14 PolarHBondContact O-N 2.78Å; L12-A15 PolarHBondContact O-N 2.99Å; L12-T16 HydrophobicContact CD1-CG2 3.67Å; L12-T16 HydrophobicContact CG-CG2 4.12Å; L12-T16 WeakPolarHBondContact O-CG2 3.47Å; L12-T16 PolarHBondContact O-N 2.9Å; L12-T16 PolarHBondContact O-OG1 3.14Å; L12-F31 HydrophobicContact CB-CD2 4.03Å; L12-F31 HydrophobicContact CB-CE2 3.72Å; L12-F31 HydrophobicContact CB-CZ 4.12Å; L12-F31 HydrophobicContact CD1-CD1 4.33Å; L12-F31 HydrophobicContact CD1-CE1 3.93Å; L12-F31 HydrophobicContact CD1-CE2 4.33Å; L12-F31 HydrophobicContact CD1-CZ 3.93Å; L12-F31 HydrophobicContact CD2-CZ 4.18Å; L12-F31 HydrophobicContact CG-CE2 4.4Å; L12-F31 HydrophobicContact CG-CZ 4.3Å; L12-L48 HydrophobicContact CD2-CB 3.49Å; L12-L48 VanDerWaalsContact CD2-CB 3.49Å; L12-L49 HydrophobicContact CD1-CD2 3.7Å; L12-L49 HydrophobicContact CD2-CD2 4.39Å; L12-K52 HydrophobicContact CD2-CG 3.77Å; L12-K52 HydrophobicContact CG-CG 4.2Å; L12-V67 HydrophobicContact CD1-CB 4.34Å; L12-V67 HydrophobicContact CD1-CG1 3.87Å; L12-V67 HydrophobicContact CD1-CG2 4.26Å
13N96.4Very high86Confident84 Ų8471.7 Ų71.745%0.44938%0.375SS..Hα-helixtrans-66.8-29.7178.3-81-53.7000112.8E9 S10 N17 K52E9-N13 VanDerWaalsContact O-CB 3.23Å; E9-N13 WeakPolarHBondContact O-CB 3.5Å; E9-N13 VanDerWaalsContact O-CG 3.29Å; E9-N13 PolarHBondContact O-N 3.19Å; E9-N13 PolarHBondContact O-ND2 2.87Å; S10-N13 PolarHBondContact O-N 3.37Å; S10-N13 VanDerWaalsContact O-N 3.16Å; N13-N17 WeakPolarHBondContact O-CB 3.43Å; N13-N17 PolarHBondContact O-N 3.33Å; N13-K52 WeakPolarHBondContact OD1-CE 3.47Å; N13-K52 PolarHBondContact OD1-NZ 3.5Å
14K95.6Very high88.3Confident61 Ų6166.5 Ų66.527%0.26535%0.348SS..Hα-helixtrans-72-50.7169.7-64.4-178.6-176.5176.30111.3E6 S10 W11 L12 T16 N17 N20 Y27E6-K14 IonicContact OE1-NZ 3.33Å; E6-K14 PolarHBondContact OE1-NZ 2.68Å; E6-K14 WeakPolarHBondContact OE2-CE 3.17Å; E6-K14 IonicContact OE2-NZ 3.49Å; E6-K14 PolarHBondContact OE2-NZ 2.74Å; S10-K14 WeakPolarHBondContact O-CG 3.44Å; S10-K14 PolarHBondContact O-N 3.2Å; W11-K14 PolarHBondContact O-N 2.85Å; L12-K14 VanDerWaalsContact C-N 3.28Å; L12-K14 PolarHBondContact O-N 2.78Å; K14-T16 VanDerWaalsContact C-N 3.28Å; K14-T16 PolarHBondContact O-N 3.12Å; K14-N17 PolarHBondContact O-N 3.14Å; K14-N20 PolarHBondContact O-ND2 2.94Å; K14-Y27 HydrophobicContact CB-CD1 3.85Å; K14-Y27 HydrophobicContact CB-CD2 3.81Å; K14-Y27 HydrophobicContact CB-CE1 4.26Å; K14-Y27 HydrophobicContact CB-CE2 4.21Å; K14-Y27 HydrophobicContact CB-CG 3.65Å; K14-Y27 HydrophobicContact CD-CD1 3.55Å; K14-Y27 HydrophobicContact CD-CE1 3.32Å; K14-Y27 HydrophobicContact CD-CE2 4.38Å; K14-Y27 HydrophobicContact CD-CG 4.21Å; K14-Y27 HydrophobicContact CG-CD1 4.39Å; K14-Y27 HydrophobicContact CG-CE1 4.42Å
15A96.3Very high90.6Very high1 Ų165.8 Ų65.81%0.00833%0.334CS..Hα-helixtrans-61.2-30.5-178.100000114.1W11 L12 I28 Q63 V67W11-A15 WeakPolarHBondContact O-CB 3.3Å; W11-A15 PolarHBondContact O-N 3.07Å; L12-A15 PolarHBondContact O-N 2.99Å; A15-I28 HydrophobicContact CB-CG1 4.25Å; A15-Q63 PolarHBondContact O-OE1 3.35Å; A15-Q63 VanDerWaalsContact O-OE1 3.12Å; A15-V67 HydrophobicContact CB-CG2 3.92Å
16T96.7Very high92.4Very high0 Ų070.2 Ų70.20%034%0.342CS..THydrogen-bonded Turntrans-112.525.2179.884.90000113.5L12 K14 P18 K52 Q63 A64 V67L12-T16 HydrophobicContact CD1-CG2 3.67Å; L12-T16 HydrophobicContact CG-CG2 4.12Å; L12-T16 WeakPolarHBondContact O-CG2 3.47Å; L12-T16 PolarHBondContact O-N 2.9Å; L12-T16 PolarHBondContact O-OG1 3.14Å; K14-T16 VanDerWaalsContact C-N 3.28Å; K14-T16 PolarHBondContact O-N 3.12Å; T16-P18 WeakPolarHBondContact O-CD 3.42Å; T16-K52 VanDerWaalsContact OG1-CD 3.31Å; T16-K52 WeakPolarHBondContact OG1-CD 3.38Å; T16-K52 WeakPolarHBondContact OG1-CE 3.49Å; T16-K52 PolarHBondContact OG1-NZ 2.9Å; T16-Q63 HydrophobicContact CG2-CB 4.34Å; T16-A64 HydrophobicContact CG2-CB 3.93Å; T16-V67 HydrophobicContact CG2-CG2 4.12Å
17N95.1Very high93.3Very high59 Ų5969.9 Ų69.932%0.31634%0.338SS..  trans-65.4128.5-178.9-174.1-27.3000110.1N13 K14 S19 N20 Q63N13-N17 WeakPolarHBondContact O-CB 3.43Å; N13-N17 PolarHBondContact O-N 3.33Å; K14-N17 PolarHBondContact O-N 3.14Å; N17-S19 PolarHBondContact O-N 3.29Å; N17-S19 VanDerWaalsContact OD1-CB 3.25Å; N17-S19 WeakPolarHBondContact OD1-CB 3.34Å; N17-S19 PolarHBondContact OD1-N 3.4Å; N17-S19 PolarHBondContact OD1-OG 3.25Å; N17-N20 PolarHBondContact N-ND2 2.89Å; N17-N20 WeakPolarHBondContact O-CB 3.43Å; N17-N20 PolarHBondContact O-N 3.42Å; N17-N20 VanDerWaalsContact O-N 3.08Å; N17-Q63 PolarHBondContact O-NE2 2.99Å
18P93.3Very high93.5Very high52 Ų5267.7 Ų67.734%0.33832%0.322SS..THydrogen-bonded Turntrans-58-17.9176.1-24.132.6000114.6T16 E60T16-P18 WeakPolarHBondContact O-CD 3.42Å; P18-E60 HydrophobicContact CG-CB 4.34Å
19S93.4Very high93.5Very high98 Ų9870.5 Ų70.569%0.68534%0.336SS*.THydrogen-bonded Turntrans-84.4-11.3180-40.70000113.8N17N17-S19 PolarHBondContact O-N 3.29Å; N17-S19 VanDerWaalsContact OD1-CB 3.25Å; N17-S19 WeakPolarHBondContact OD1-CB 3.34Å; N17-S19 PolarHBondContact OD1-N 3.4Å; N17-S19 PolarHBondContact OD1-OG 3.25Å
20N91.7Very high93.5Very high33 Ų3367.5 Ų67.518%0.17633%0.325CS..  trans-64.7135.4-179.4-69.2-11.4000110.3K14 N17 W59 Q63K14-N20 PolarHBondContact O-ND2 2.94Å; N17-N20 PolarHBondContact N-ND2 2.89Å; N17-N20 WeakPolarHBondContact O-CB 3.43Å; N17-N20 PolarHBondContact O-N 3.42Å; N17-N20 VanDerWaalsContact O-N 3.08Å; N20-W59 PolarHBondContact O-NE1 3.25Å; N20-Q63 VanDerWaalsContact CB-OE1 3.25Å; N20-Q63 PolarHBondContact ND2-OE1 3.4Å
21R87.2Confident93.6Very high249 Ų24965.6 Ų65.694%0.9431%0.312SS*.SBendtrans-86.6-18.5179.1-66.9-176.2178.6178.10.2113.8
22Q87.3Confident93.7Very high151 Ų15163.1 Ų63.171%0.70630%0.303SS*.SBendtrans-153172.5-177.767-173.936.100108.7D24Q22-D24 PolarHBondContact O-N 3.48Å
23E88.8Confident93.6Very high69 Ų6967.5 Ų67.532%0.32233%0.326SS..  trans-69123.3173.5-60178.7145.200110.1W25 I28 W59 T66E23-W25 PolarHBondContact O-N 3.47Å; E23-I28 HydrophobicContact CB-CD1 4.14Å; E23-W59 HydrophobicContact CG-CH2 4.4Å; E23-T66 HydrophobicContact CG-CG2 4.42Å; E23-T66 WeakPolarHBondContact OE1-CB 3.38Å; E23-T66 WeakPolarHBondContact OE1-CG2 2.85Å; E23-T66 PolarHBondContact OE1-OG1 2.91Å
24D87.1Confident93.5Very high52 Ų5264.7 Ų64.728%0.27831%0.31SS..  trans-94.790.9-178.1-161.9-38.3000110.6Q22 E26 Y27 I28Q22-D24 PolarHBondContact O-N 3.48Å; D24-E26 PolarHBondContact O-N 2.94Å; D24-E26 PolarHBondContact OD1-N 3.38Å; D24-Y27 HydrophobicContact CB-CD2 3.89Å; D24-Y27 PolarHBondContact O-N 2.74Å; D24-Y27 WeakPolarHBondContact OD2-CD2 3.25Å; D24-Y27 VanDerWaalsContact OD2-CE2 3.28Å; D24-Y27 WeakPolarHBondContact OD2-CE2 3.41Å; D24-I28 VanDerWaalsContact O-CG1 3.25Å; D24-I28 WeakPolarHBondContact O-CG1 3.47Å; D24-I28 PolarHBondContact O-N 3.03Å
25W92.9Very high93.6Very high129 Ų12961.8 Ų61.849%0.48930%0.298SS..Hα-helixtrans-66.1-19.4-172.9-75.189000114.2E23 I28 M29 T66 A70E23-W25 PolarHBondContact O-N 3.47Å; W25-I28 HydrophobicContact CD2-CD1 4.12Å; W25-I28 HydrophobicContact CE3-CB 4.42Å; W25-I28 HydrophobicContact CE3-CD1 4.37Å; W25-I28 HydrophobicContact CE3-CG2 4.11Å; W25-I28 HydrophobicContact CG-CD1 4.36Å; W25-I28 HydrophobicContact CZ3-CG2 4.11Å; W25-M29 WeakPolarHBondContact O-CB 3.46Å; W25-M29 WeakPolarHBondContact O-CG 3.3Å; W25-M29 PolarHBondContact O-N 2.92Å; W25-T66 HydrophobicContact CH2-CG2 4.12Å; W25-T66 HydrophobicContact CZ2-CG2 3.97Å; W25-A70 HydrophobicContact CZ3-CB 4.19Å
26E93Very high93.5Very high143 Ų14364.8 Ų64.867%0.66831%0.314SS*.Hα-helixtrans-67.9-49.9172.7-170.9175.5167.800110.3D24 M29 G30D24-E26 PolarHBondContact O-N 2.94Å; D24-E26 PolarHBondContact OD1-N 3.38Å; E26-M29 PolarHBondContact O-N 3.16Å; E26-G30 PolarHBondContact O-N 3.33Å
27Y95.4Very high93.3Very high65 Ų6572.5 Ų72.526%0.25535%0.347SS..Hα-helixtrans-71.2-32.1177.2-58.3-56.5000113.3W11 K14 D24 F31W11-Y27 AromaticContact CE3-CD1 3.78Å; W11-Y27 HydrophobicContact CE3-CD1 3.78Å; W11-Y27 AromaticContact CZ3-CD1 3.65Å; W11-Y27 HydrophobicContact CZ3-CD1 3.65Å; W11-Y27 HydrophobicContact CZ3-CE1 4.31Å; K14-Y27 HydrophobicContact CB-CD1 3.85Å; K14-Y27 HydrophobicContact CB-CD2 3.81Å; K14-Y27 HydrophobicContact CB-CE1 4.26Å; K14-Y27 HydrophobicContact CB-CE2 4.21Å; K14-Y27 HydrophobicContact CB-CG 3.65Å; K14-Y27 HydrophobicContact CD-CD1 3.55Å; K14-Y27 HydrophobicContact CD-CE1 3.32Å; K14-Y27 HydrophobicContact CD-CE2 4.38Å; K14-Y27 HydrophobicContact CD-CG 4.21Å; K14-Y27 HydrophobicContact CG-CD1 4.39Å; K14-Y27 HydrophobicContact CG-CE1 4.42Å; D24-Y27 HydrophobicContact CB-CD2 3.89Å; D24-Y27 PolarHBondContact O-N 2.74Å; D24-Y27 WeakPolarHBondContact OD2-CD2 3.25Å; D24-Y27 VanDerWaalsContact OD2-CE2 3.28Å; D24-Y27 WeakPolarHBondContact OD2-CE2 3.41Å; Y27-F31 WeakPolarHBondContact O-CB 3.08Å; Y27-F31 PolarHBondContact O-N 2.87Å; Y27-F31 VanDerWaalsContact O-N 3.08Å
28I95.6Very high93.1Very high3 Ų372.2 Ų72.22%0.01534%0.344CS..Hα-helixtrans-63-46.2174.5-65.8163.6000110.7A15 E23 D24 W25 C32 T66 V67 A70A15-I28 HydrophobicContact CB-CG1 4.25Å; E23-I28 HydrophobicContact CB-CD1 4.14Å; D24-I28 VanDerWaalsContact O-CG1 3.25Å; D24-I28 WeakPolarHBondContact O-CG1 3.47Å; D24-I28 PolarHBondContact O-N 3.03Å; W25-I28 HydrophobicContact CD2-CD1 4.12Å; W25-I28 HydrophobicContact CE3-CB 4.42Å; W25-I28 HydrophobicContact CE3-CD1 4.37Å; W25-I28 HydrophobicContact CE3-CG2 4.11Å; W25-I28 HydrophobicContact CG-CD1 4.36Å; W25-I28 HydrophobicContact CZ3-CG2 4.11Å; I28-C32 PolarHBondContact O-N 2.87Å; I28-C32 PolarHBondContact O-SG 2.81Å; I28-T66 HydrophobicContact CD1-CG2 4.19Å; I28-V67 HydrophobicContact CG1-CG2 3.91Å; I28-A70 HydrophobicContact CG2-CB 3.44Å; I28-A70 VanDerWaalsContact CG2-CB 3.44Å
29M95.8Very high93Very high60 Ų6077 Ų7730%0.29637%0.366SS..Hα-helixtrans-74.1-40.4179.5-68.9-56.2-56.800112.3W25 E26 F31 C32 D33 N74W25-M29 WeakPolarHBondContact O-CB 3.46Å; W25-M29 WeakPolarHBondContact O-CG 3.3Å; W25-M29 PolarHBondContact O-N 2.92Å; E26-M29 PolarHBondContact O-N 3.16Å; M29-F31 VanDerWaalsContact C-N 3.25Å; M29-F31 PolarHBondContact O-N 3.37Å; M29-C32 WeakPolarHBondContact O-CA 3.5Å; M29-C32 WeakPolarHBondContact O-CB 3.49Å; M29-C32 PolarHBondContact O-N 2.84Å; M29-D33 PolarHBondContact O-N 2.97Å; M29-N74 HydrophobicContact CE-CB 4.43Å
30G94.5Very high93Very high13 Ų1378.3 Ų78.313%0.13436%0.361CS..Hα-helixtrans-58.3-35.8174.200000113.2E26 D33 Q34E26-G30 PolarHBondContact O-N 3.33Å; G30-D33 PolarHBondContact O-N 2.92Å; G30-Q34 WeakPolarHBondContact O-CB 2.98Å; G30-Q34 PolarHBondContact O-N 3.35Å
31F97.5Very high93.2Very high0 Ų076.8 Ų76.80%035%0.353CS..Hα-helixtrans-64.5-42.1170.6-175.1-114.4000112.5L8 W11 L12 Y27 M29 Q34 I35 L49 V67L8-F31 HydrophobicContact CB-CE2 4.03Å; L8-F31 HydrophobicContact CD2-CD2 3.81Å; L8-F31 HydrophobicContact CD2-CE2 3.75Å; L8-F31 WeakPolarHBondContact O-CE2 3.46Å; W11-F31 HydrophobicContact CB-CB 3.94Å; W11-F31 HydrophobicContact CB-CD2 3.95Å; W11-F31 HydrophobicContact CB-CG 4.43Å; L12-F31 HydrophobicContact CB-CD2 4.03Å; L12-F31 HydrophobicContact CB-CE2 3.72Å; L12-F31 HydrophobicContact CB-CZ 4.12Å; L12-F31 HydrophobicContact CD1-CD1 4.33Å; L12-F31 HydrophobicContact CD1-CE1 3.93Å; L12-F31 HydrophobicContact CD1-CE2 4.33Å; L12-F31 HydrophobicContact CD1-CZ 3.93Å; L12-F31 HydrophobicContact CD2-CZ 4.18Å; L12-F31 HydrophobicContact CG-CE2 4.4Å; L12-F31 HydrophobicContact CG-CZ 4.3Å; Y27-F31 WeakPolarHBondContact O-CB 3.08Å; Y27-F31 PolarHBondContact O-N 2.87Å; Y27-F31 VanDerWaalsContact O-N 3.08Å; M29-F31 VanDerWaalsContact C-N 3.25Å; M29-F31 PolarHBondContact O-N 3.37Å; F31-Q34 PolarHBondContact O-N 3.25Å; F31-I35 HydrophobicContact CD1-CD1 3.8Å; F31-I35 HydrophobicContact CE1-CD1 3.61Å; F31-I35 HydrophobicContact CG-CD1 4.4Å; F31-I35 HydrophobicContact CZ-CD1 4.05Å; F31-I35 VanDerWaalsContact O-CG1 3.26Å; F31-I35 WeakPolarHBondContact O-CG1 3.4Å; F31-I35 PolarHBondContact O-N 3.32Å; F31-L49 HydrophobicContact CE1-CD1 4.09Å; F31-L49 HydrophobicContact CE1-CD2 4.16Å; F31-L49 HydrophobicContact CE1-CG 4.11Å; F31-L49 HydrophobicContact CZ-CG 4.31Å; F31-V67 HydrophobicContact CD1-CG1 3.31Å; F31-V67 HydrophobicContact CE1-CG1 3.58Å; F31-V67 HydrophobicContact CG-CG1 4.33Å
32C96.4Very high93.6Very high0 Ų065 Ų650%031%0.308CS..Hα-helixtrans-62.1-43.4175.8-63.80000111.9I28 M29 I35 N36 C71 N74I28-C32 PolarHBondContact O-N 2.87Å; I28-C32 PolarHBondContact O-SG 2.81Å; M29-C32 WeakPolarHBondContact O-CA 3.5Å; M29-C32 WeakPolarHBondContact O-CB 3.49Å; M29-C32 PolarHBondContact O-N 2.84Å; C32-I35 WeakPolarHBondContact O-CB 3.25Å; C32-I35 PolarHBondContact O-N 2.83Å; C32-N36 PolarHBondContact O-N 2.85Å; C32-N36 VanDerWaalsContact O-N 3.16Å; C32-N36 PolarHBondContact O-ND2 2.96Å; C32-C71 VanDerWaalsContact SG-SG 3.62Å; C32-N74 HydrophobicContact CB-CB 4.28Å
33D95.1Very high94.1Very high95 Ų9560.9 Ų60.951%0.50829%0.289SS..Hα-helixtrans-68.4-39.6180-70.1-26000111.8M29 G30 I35 N36 K37M29-D33 PolarHBondContact O-N 2.97Å; G30-D33 PolarHBondContact O-N 2.92Å; D33-I35 PolarHBondContact O-N 3.21Å; D33-N36 PolarHBondContact O-N 2.86Å; D33-K37 VanDerWaalsContact O-CB 3.3Å; D33-K37 WeakPolarHBondContact O-CB 3.44Å; D33-K37 PolarHBondContact O-N 2.82Å
34Q95.6Very high94.4Very high26 Ų2659.2 Ų59.212%0.12128%0.282CS..Hα-helixtrans-66.8-34.8175.2-169.368.516.200112L8 G30 F31 N36 K37 E38L8-Q34 HydrophobicContact CD2-CB 3.86Å; L8-Q34 HydrophobicContact CD2-CG 3.75Å; L8-Q34 HydrophobicContact CG-CG 4.05Å; G30-Q34 WeakPolarHBondContact O-CB 2.98Å; G30-Q34 PolarHBondContact O-N 3.35Å; F31-Q34 PolarHBondContact O-N 3.25Å; Q34-N36 VanDerWaalsContact C-N 3.32Å; Q34-N36 PolarHBondContact O-N 3.24Å; Q34-K37 PolarHBondContact O-N 3Å; Q34-K37 VanDerWaalsContact OE1-NZ 3.14Å; Q34-E38 PolarHBondContact NE2-OE1 2.85Å; Q34-E38 PolarHBondContact O-N 3.36Å; Q34-E38 VanDerWaalsContact O-N 3.09Å
35I96.6Very high94.9Very high0 Ų056.7 Ų56.70%027%0.269CS..Hα-helixtrans-59-44170.8-72.8166.3000111.3L8 F31 C32 D33 P42 S45 C71 C75 F79L8-I35 HydrophobicContact CD2-CG1 3.75Å; F31-I35 HydrophobicContact CD1-CD1 3.8Å; F31-I35 HydrophobicContact CE1-CD1 3.61Å; F31-I35 HydrophobicContact CG-CD1 4.4Å; F31-I35 HydrophobicContact CZ-CD1 4.05Å; F31-I35 VanDerWaalsContact O-CG1 3.26Å; F31-I35 WeakPolarHBondContact O-CG1 3.4Å; F31-I35 PolarHBondContact O-N 3.32Å; C32-I35 WeakPolarHBondContact O-CB 3.25Å; C32-I35 PolarHBondContact O-N 2.83Å; D33-I35 PolarHBondContact O-N 3.21Å; I35-P42 HydrophobicContact CG2-CG 4.04Å; I35-S45 VanDerWaalsContact CD1-CB 3.43Å; I35-S45 WeakPolarHBondContact CD1-OG 3.47Å; I35-C71 HydrophobicContact CD1-CB 4.44Å; I35-C71 VanDerWaalsContact CD1-SG 3.56Å; I35-C75 HydrophobicContact CG2-CB 4.06Å; I35-F79 HydrophobicContact CD1-CD2 4.4Å; I35-F79 HydrophobicContact CD1-CE2 4.2Å; I35-F79 HydrophobicContact CG2-CD2 4.13Å
36N93.8Very high95.2Very high63 Ų6351.2 Ų51.234%0.33725%0.249SC..Hα-helixtrans-68.4-39.9-178.9-76.1-35.2000111.7C32 D33 Q34 N74 C75 R78C32-N36 PolarHBondContact O-N 2.85Å; C32-N36 VanDerWaalsContact O-N 3.16Å; C32-N36 PolarHBondContact O-ND2 2.96Å; D33-N36 PolarHBondContact O-N 2.86Å; Q34-N36 VanDerWaalsContact C-N 3.32Å; Q34-N36 PolarHBondContact O-N 3.24Å; N36-N74 PolarHBondContact ND2-O 3.47Å; N36-C75 WeakPolarHBondContact OD1-CA 3.36Å; N36-C75 PolarHBondContact OD1-O 2.88Å; N36-R78 PolarHBondContact O-NH1 3.09Å; N36-R78 VanDerWaalsContact O-NH1 3.12Å
37K93.1Very high95.4Very high162 Ų16251.3 Ų51.370%0.70424%0.244SC*.Hα-helixtrans-68.8-34.6-178.8-178.1175.7164.3-160.40114.1D33 Q34D33-K37 VanDerWaalsContact O-CB 3.3Å; D33-K37 WeakPolarHBondContact O-CB 3.44Å; D33-K37 PolarHBondContact O-N 2.82Å; Q34-K37 PolarHBondContact O-N 3Å; Q34-K37 VanDerWaalsContact OE1-NZ 3.14Å
38E91.8Very high95.5Very high54 Ų5450 Ų5025%0.25224%0.241SC..SBendtrans-87.2145.5179.8-73.3-178.2-156.300113.4L8 Q34 R78L8-E38 WeakPolarHBondContact CD1-OE2 3.29Å; Q34-E38 PolarHBondContact NE2-OE1 2.85Å; Q34-E38 PolarHBondContact O-N 3.36Å; Q34-E38 VanDerWaalsContact O-N 3.09Å; E38-R78 PolarHBondContact O-NH2 3.07Å
39L90.1Very high95.6Very high151 Ų15149.9 Ų49.979%0.79124%0.24SC*.SBendtrans-70.7-42178.4-174.762.6000112.5R78L39-R78 PolarHBondContact O-NH2 2.88Å
40E93.6Very high95.7Very high127 Ų12747.5 Ų47.559%0.59323%0.23SC*.SBendtrans-94.53.4174.5-61.4-161.4173.800113.5P42 Q43 I44E40-P42 VanDerWaalsContact C-N 3.35Å; E40-Q43 WeakPolarHBondContact O-CA 3.33Å; E40-Q43 PolarHBondContact O-N 2.85Å; E40-Q43 PolarHBondContact O-OE1 3.05Å; E40-I44 HydrophobicContact CB-CD1 4Å; E40-I44 HydrophobicContact CB-CG1 4.39Å; E40-I44 WeakPolarHBondContact O-CG1 3.26Å; E40-I44 PolarHBondContact O-N 3.16Å
41G95.7Very high95.9Very high0 Ų053.8 Ų53.80%026%0.256CS..Hα-helixtrans-48.9-47-176.100000114Q43 I44 S45G41-Q43 PolarHBondContact O-N 2.98Å; G41-I44 PolarHBondContact O-N 3.09Å; G41-S45 VanDerWaalsContact O-CB 3.31Å; G41-S45 WeakPolarHBondContact O-CB 3.43Å; G41-S45 PolarHBondContact O-N 2.92Å; G41-S45 PolarHBondContact O-OG 3.19Å
42P96.8Very high95.9Very high1 Ų154.7 Ų54.71%0.00626%0.26CS..Hα-helixtrans-60.1-38.4173.8-26.736.4000114.7I35 E40 I44 S45 V46 R78 E82I35-P42 HydrophobicContact CG2-CG 4.04Å; E40-P42 VanDerWaalsContact C-N 3.35Å; P42-I44 VanDerWaalsContact C-N 3.33Å; P42-S45 PolarHBondContact O-OG 2.8Å; P42-V46 WeakPolarHBondContact O-CG1 3.26Å; P42-V46 WeakPolarHBondContact O-CG2 3.3Å; P42-V46 PolarHBondContact O-N 3.26Å; P42-R78 HydrophobicContact CG-CB 4.12Å; P42-E82 HydrophobicContact CB-CG 3.87Å
43Q96.1Very high96Very high66 Ų6654.7 Ų54.731%0.30826%0.26SS..Hα-helixtrans-77.3-20.9-178.9-66.374.818.900112.8E40 G41 R47 E82E40-Q43 WeakPolarHBondContact O-CA 3.33Å; E40-Q43 PolarHBondContact O-N 2.85Å; E40-Q43 PolarHBondContact O-OE1 3.05Å; G41-Q43 PolarHBondContact O-N 2.98Å; Q43-R47 PolarHBondContact O-NE 2.88Å; Q43-R47 PolarHBondContact O-NH2 3.09Å; Q43-E82 HydrophobicContact CG-CG 4.23Å; Q43-E82 PolarHBondContact NE2-OE1 3.35Å
44I96.6Very high96Very high33 Ų3352.7 Ų52.717%0.16925%0.247CC..Hα-helixtrans-86.4-52.7174-64.4167.3000109.3L8 E40 G41 P42 V46 R47 L48L8-I44 HydrophobicContact CB-CG2 4.41Å; L8-I44 HydrophobicContact CD1-CB 3.98Å; L8-I44 HydrophobicContact CD1-CG2 3.85Å; E40-I44 HydrophobicContact CB-CD1 4Å; E40-I44 HydrophobicContact CB-CG1 4.39Å; E40-I44 WeakPolarHBondContact O-CG1 3.26Å; E40-I44 PolarHBondContact O-N 3.16Å; G41-I44 PolarHBondContact O-N 3.09Å; P42-I44 VanDerWaalsContact C-N 3.33Å; I44-V46 PolarHBondContact O-N 3.25Å; I44-R47 WeakPolarHBondContact O-CA 3.5Å; I44-R47 WeakPolarHBondContact O-CB 3.32Å; I44-R47 PolarHBondContact O-N 3.04Å; I44-L48 HydrophobicContact CG2-CD1 3.87Å; I44-L48 HydrophobicContact CG2-CG 4.26Å; I44-L48 PolarHBondContact O-N 3.23Å; I44-L48 VanDerWaalsContact O-N 3.13Å
45S97.6Very high96.1Very high0 Ų052.1 Ų52.10%025%0.246CC..Hα-helixtrans-61-43.6-173.561.40000114.1I35 G41 P42 R47 L48 L49 F79I35-S45 VanDerWaalsContact CD1-CB 3.43Å; I35-S45 WeakPolarHBondContact CD1-OG 3.47Å; G41-S45 VanDerWaalsContact O-CB 3.31Å; G41-S45 WeakPolarHBondContact O-CB 3.43Å; G41-S45 PolarHBondContact O-N 2.92Å; G41-S45 PolarHBondContact O-OG 3.19Å; P42-S45 PolarHBondContact O-OG 2.8Å; S45-R47 PolarHBondContact O-N 3.18Å; S45-L48 PolarHBondContact O-N 2.78Å; S45-L49 WeakPolarHBondContact O-CB 3.42Å; S45-L49 VanDerWaalsContact O-CG 3.32Å; S45-L49 WeakPolarHBondContact O-CG 3.38Å; S45-L49 PolarHBondContact O-N 2.94Å; S45-F79 WeakPolarHBondContact OG-CE2 3.4Å
46V97.8Very high95.9Very high13 Ų1358 Ų588%0.07928%0.284CS..Hα-helixtrans-61.3-27.4176.5-60.60000112.6P42 I44 A50 F79 E82 V83 F88P42-V46 WeakPolarHBondContact O-CG1 3.26Å; P42-V46 WeakPolarHBondContact O-CG2 3.3Å; P42-V46 PolarHBondContact O-N 3.26Å; I44-V46 PolarHBondContact O-N 3.25Å; V46-A50 WeakPolarHBondContact O-CB 3.47Å; V46-A50 PolarHBondContact O-N 2.96Å; V46-F79 HydrophobicContact CG1-CD2 4.15Å; V46-F79 HydrophobicContact CG1-CE2 3.6Å; V46-F79 HydrophobicContact CG1-CZ 4.05Å; V46-E82 HydrophobicContact CG1-CB 3.93Å; V46-E82 HydrophobicContact CG2-CB 4.23Å; V46-V83 HydrophobicContact CG1-CG2 3.86Å; V46-F88 HydrophobicContact CB-CD2 3.74Å; V46-F88 HydrophobicContact CB-CE2 4.07Å; V46-F88 HydrophobicContact CB-CG 4.31Å; V46-F88 WeakPolarHBondContact O-CD2 3.35Å; V46-F88 VanDerWaalsContact O-CE2 3.23Å; V46-F88 WeakPolarHBondContact O-CE2 3.47Å
47R97.6Very high96Very high146 Ų14659.5 Ų59.555%0.55129%0.29SS*.Hα-helixtrans-75.6-42.3177.8-162.8-168.3-44161.511.3111.3Q43 I44 S45 H51Q43-R47 PolarHBondContact O-NE 2.88Å; Q43-R47 PolarHBondContact O-NH2 3.09Å; I44-R47 WeakPolarHBondContact O-CA 3.5Å; I44-R47 WeakPolarHBondContact O-CB 3.32Å; I44-R47 PolarHBondContact O-N 3.04Å; S45-R47 PolarHBondContact O-N 3.18Å; R47-H51 PolarHBondContact O-N 2.93Å
48L98Very high96.1Very high37 Ų3755.4 Ų55.419%0.19427%0.273CS..Hα-helixtrans-67.9-44.2175.9-59.6176000111L8 E9 L12 I44 S45 H51 K52L8-L48 HydrophobicContact CB-CD1 3.98Å; E9-L48 HydrophobicContact CG-CD1 3.87Å; E9-L48 HydrophobicContact CG-CD2 3.92Å; L12-L48 HydrophobicContact CD2-CB 3.49Å; L12-L48 VanDerWaalsContact CD2-CB 3.49Å; I44-L48 HydrophobicContact CG2-CD1 3.87Å; I44-L48 HydrophobicContact CG2-CG 4.26Å; I44-L48 PolarHBondContact O-N 3.23Å; I44-L48 VanDerWaalsContact O-N 3.13Å; S45-L48 PolarHBondContact O-N 2.78Å; L48-H51 WeakPolarHBondContact O-CB 3.41Å; L48-H51 PolarHBondContact O-N 3.26Å; L48-K52 PolarHBondContact O-N 3.13Å
49L98.4Very high96.2Very high0 Ų056.9 Ų56.90%028%0.276CS..Hα-helixtrans-59.9-47.8174-73.7168.8000111.6L12 F31 S45 H51 K52 I53 V67 L68 F79L12-L49 HydrophobicContact CD1-CD2 3.7Å; L12-L49 HydrophobicContact CD2-CD2 4.39Å; F31-L49 HydrophobicContact CE1-CD1 4.09Å; F31-L49 HydrophobicContact CE1-CD2 4.16Å; F31-L49 HydrophobicContact CE1-CG 4.11Å; F31-L49 HydrophobicContact CZ-CG 4.31Å; S45-L49 WeakPolarHBondContact O-CB 3.42Å; S45-L49 VanDerWaalsContact O-CG 3.32Å; S45-L49 WeakPolarHBondContact O-CG 3.38Å; S45-L49 PolarHBondContact O-N 2.94Å; L49-H51 PolarHBondContact O-N 2.61Å; L49-K52 PolarHBondContact O-N 2.93Å; L49-K52 VanDerWaalsContact O-N 3.09Å; L49-I53 HydrophobicContact CB-CD1 4.26Å; L49-I53 WeakPolarHBondContact O-CB 3.28Å; L49-I53 WeakPolarHBondContact O-CD1 3.36Å; L49-I53 WeakPolarHBondContact O-CG1 3.45Å; L49-I53 PolarHBondContact O-N 3.39Å; L49-V67 HydrophobicContact CD2-CB 4.03Å; L49-V67 HydrophobicContact CD2-CG1 3.79Å; L49-L68 HydrophobicContact CD1-CB 4.35Å; L49-L68 HydrophobicContact CD1-CD1 4.1Å; L49-L68 HydrophobicContact CD2-CB 4.46Å; L49-F79 HydrophobicContact CD1-CE2 4.25Å; L49-F79 HydrophobicContact CD1-CZ 3.9Å
50A97.8Very high96.6Very high10 Ų1050.7 Ų50.78%0.08324%0.243CC..Hα-helixtrans-58.2-32.2177.600000113.2V46 Q54 F88 E91V46-A50 WeakPolarHBondContact O-CB 3.47Å; V46-A50 PolarHBondContact O-N 2.96Å; A50-Q54 WeakPolarHBondContact O-CG 3.36Å; A50-Q54 PolarHBondContact O-N 3.16Å; A50-Q54 PolarHBondContact O-NE2 3.46Å; A50-F88 HydrophobicContact CB-CD2 4.06Å; A50-F88 HydrophobicContact CB-CE2 3.94Å; A50-E91 HydrophobicContact CB-CB 3.88Å; A50-E91 HydrophobicContact CB-CG 3.95Å
51H97.8Very high96.7Very high145 Ų14544.7 Ų44.767%0.67122%0.215SC*.Hα-helixtrans-72.4-46.2173.3-179.8-86.8000111.9R47 L48 L49 Q54R47-H51 PolarHBondContact O-N 2.93Å; L48-H51 WeakPolarHBondContact O-CB 3.41Å; L48-H51 PolarHBondContact O-N 3.26Å; L49-H51 PolarHBondContact O-N 2.61Å; H51-Q54 PolarHBondContact O-N 3.16Å
52K97.5Very high96.8Very high19 Ų1946 Ų468%0.08322%0.221CC..Hα-helixtrans-65.7-39179.5-70.7-66.6-163.6170.40113.3L12 N13 T16 L48 L49 Q54 S55 E60 A64L12-K52 HydrophobicContact CD2-CG 3.77Å; L12-K52 HydrophobicContact CG-CG 4.2Å; N13-K52 WeakPolarHBondContact OD1-CE 3.47Å; N13-K52 PolarHBondContact OD1-NZ 3.5Å; T16-K52 VanDerWaalsContact OG1-CD 3.31Å; T16-K52 WeakPolarHBondContact OG1-CD 3.38Å; T16-K52 WeakPolarHBondContact OG1-CE 3.49Å; T16-K52 PolarHBondContact OG1-NZ 2.9Å; L48-K52 PolarHBondContact O-N 3.13Å; L49-K52 PolarHBondContact O-N 2.93Å; L49-K52 VanDerWaalsContact O-N 3.09Å; K52-Q54 PolarHBondContact O-N 3.29Å; K52-S55 WeakPolarHBondContact O-CB 3.37Å; K52-S55 PolarHBondContact O-N 3.37Å; K52-E60 HydrophobicContact CD-CG 4.03Å; K52-E60 WeakPolarHBondContact CD-OE1 3.48Å; K52-E60 IonicContact NZ-OE1 2.69Å; K52-E60 PolarHBondContact NZ-OE1 3.26Å; K52-A64 HydrophobicContact CB-CB 3.53Å
53I97.9Very high96.8Very high1 Ų146 Ų461%0.00522%0.222CC..Hα-helixtrans-67.4-26.3176.9-63.4162.5000111.5L49 S55 A64 L65 L68 L92 V95 V113L49-I53 HydrophobicContact CB-CD1 4.26Å; L49-I53 WeakPolarHBondContact O-CB 3.28Å; L49-I53 WeakPolarHBondContact O-CD1 3.36Å; L49-I53 WeakPolarHBondContact O-CG1 3.45Å; L49-I53 PolarHBondContact O-N 3.39Å; I53-S55 VanDerWaalsContact C-N 3.27Å; I53-S55 PolarHBondContact O-N 3.01Å; I53-A64 HydrophobicContact CG1-CB 3.66Å; I53-L65 HydrophobicContact CD1-CD2 3.9Å; I53-L65 HydrophobicContact CG1-CD2 3.99Å; I53-L65 HydrophobicContact CG1-CG 4.22Å; I53-L65 HydrophobicContact CG2-CD2 3.8Å; I53-L65 HydrophobicContact CG2-CG 4.2Å; I53-L68 HydrophobicContact CD1-CB 4.41Å; I53-L68 HydrophobicContact CD1-CD2 3.61Å; I53-L92 HydrophobicContact CD1-CD2 4.24Å; I53-L92 HydrophobicContact CG2-CD2 4.05Å; I53-V95 HydrophobicContact CG2-CG2 4.33Å; I53-V113 HydrophobicContact CG2-CG2 4.49Å
54Q96.9Very high96.9Very high52 Ų5242.9 Ų42.924%0.24321%0.207CC..THydrogen-bonded Turntrans-83.77.5172-75.2177.39400113.5A50 H51 K52 E91 V95 L101A50-Q54 WeakPolarHBondContact O-CG 3.36Å; A50-Q54 PolarHBondContact O-N 3.16Å; A50-Q54 PolarHBondContact O-NE2 3.46Å; H51-Q54 PolarHBondContact O-N 3.16Å; K52-Q54 PolarHBondContact O-N 3.29Å; Q54-E91 PolarHBondContact NE2-OE2 3.42Å; Q54-V95 HydrophobicContact CG-CG2 3.53Å; Q54-L101 HydrophobicContact CB-CD1 4.22Å; Q54-L101 HydrophobicContact CG-CD1 3.84Å
55S95.9Very high97Very high14 Ų1441.4 Ų41.410%0.09820%0.199CC..  trans-63.7137.9176.8-176.70000111.7K52 I53 Q57 E60K52-S55 WeakPolarHBondContact O-CB 3.37Å; K52-S55 PolarHBondContact O-N 3.37Å; I53-S55 VanDerWaalsContact C-N 3.27Å; I53-S55 PolarHBondContact O-N 3.01Å; S55-Q57 PolarHBondContact O-N 3.35Å; S55-Q57 PolarHBondContact OG-N 2.94Å; S55-E60 VanDerWaalsContact CB-OE2 3.32Å; S55-E60 WeakPolarHBondContact CB-OE2 3.4Å; S55-E60 PolarHBondContact OG-OE2 3.49Å
56P93.3Very high97Very high124 Ų12442.1 Ų42.181%0.80520%0.204SC*.SBendtrans-69.7-8.9171.231.2-36.6000113
57Q95.1Very high97Very high95 Ų9541.5 Ų41.544%0.44420%0.2SC..SBendtrans-88.1109175.3-57.7-177.6103.400109.2S55 W59 E60 A61S55-Q57 PolarHBondContact O-N 3.35Å; S55-Q57 PolarHBondContact OG-N 2.94Å; Q57-W59 PolarHBondContact O-N 3.22Å; Q57-W59 VanDerWaalsContact O-N 3.09Å; Q57-E60 HydrophobicContact CB-CB 3.98Å; Q57-E60 PolarHBondContact NE2-OE2 3.07Å; Q57-E60 PolarHBondContact O-N 3.44Å; Q57-A61 PolarHBondContact O-N 2.77Å; Q57-A61 VanDerWaalsContact O-N 3.08Å
58E95.8Very high97Very high75 Ų7534.6 Ų34.635%0.3517%0.174SC..Hα-helixtrans-47.3-45179.9171.1175122.500111.9E60 A61 M62 S106 K108 V109E58-E60 PolarHBondContact O-N 2.93Å; E58-A61 PolarHBondContact O-N 2.99Å; E58-M62 HydrophobicContact CG-CG 3.96Å; E58-M62 WeakPolarHBondContact O-CB 3.39Å; E58-M62 VanDerWaalsContact O-CG 3.27Å; E58-M62 WeakPolarHBondContact O-CG 3.26Å; E58-M62 PolarHBondContact O-N 3.48Å; E58-S106 VanDerWaalsContact OE2-CB 3.27Å; E58-S106 WeakPolarHBondContact OE2-CB 3.36Å; E58-S106 PolarHBondContact OE2-OG 2.86Å; E58-K108 HydrophobicContact CG-CD 4.41Å; E58-K108 WeakPolarHBondContact OE1-CD 3.35Å; E58-K108 IonicContact OE1-NZ 2.77Å; E58-K108 PolarHBondContact OE1-NZ 2.77Å; E58-V109 HydrophobicContact CG-CG2 4.02Å
59W95.1Very high96.9Very high85 Ų8535.1 Ų35.132%0.32218%0.175SC..Hα-helixtrans-72.7-27.7-174.6-172.9-129.6000114.1N20 E23 Q57 M62 Q63N20-W59 PolarHBondContact O-NE1 3.25Å; E23-W59 HydrophobicContact CG-CH2 4.4Å; Q57-W59 PolarHBondContact O-N 3.22Å; Q57-W59 VanDerWaalsContact O-N 3.09Å; W59-M62 HydrophobicContact CE3-CB 4.13Å; W59-M62 HydrophobicContact CZ3-CB 4.42Å; W59-Q63 HydrophobicContact CD2-CG 4.22Å; W59-Q63 HydrophobicContact CE3-CG 4.45Å; W59-Q63 HydrophobicContact CH2-CG 4.14Å; W59-Q63 HydrophobicContact CZ2-CG 3.91Å; W59-Q63 HydrophobicContact CZ3-CG 4.41Å; W59-Q63 WeakPolarHBondContact O-CB 3.36Å; W59-Q63 VanDerWaalsContact O-CG 3.29Å; W59-Q63 WeakPolarHBondContact O-CG 3.46Å; W59-Q63 PolarHBondContact O-N 3.46Å; W59-Q63 PolarHBondContact O-NE2 3.13Å
60E96.9Very high96.7Very high21 Ų2135.3 Ų35.310%0.09818%0.177CC..Hα-helixtrans-72.7-43.7171.3-179.6169.7-149.600110.5P18 K52 S55 Q57 E58 A64P18-E60 HydrophobicContact CG-CB 4.34Å; K52-E60 HydrophobicContact CD-CG 4.03Å; K52-E60 WeakPolarHBondContact CD-OE1 3.48Å; K52-E60 IonicContact NZ-OE1 2.69Å; K52-E60 PolarHBondContact NZ-OE1 3.26Å; S55-E60 VanDerWaalsContact CB-OE2 3.32Å; S55-E60 WeakPolarHBondContact CB-OE2 3.4Å; S55-E60 PolarHBondContact OG-OE2 3.49Å; Q57-E60 HydrophobicContact CB-CB 3.98Å; Q57-E60 PolarHBondContact NE2-OE2 3.07Å; Q57-E60 PolarHBondContact O-N 3.44Å; E58-E60 PolarHBondContact O-N 2.93Å; E60-A64 WeakPolarHBondContact O-CB 3.45Å; E60-A64 PolarHBondContact O-N 3.46Å
61A97.4Very high96.7Very high1 Ų134.8 Ų34.81%0.00817%0.173CC..Hα-helixtrans-65.7-40.9177.600000112.3Q57 E58 A64 L65 V109Q57-A61 PolarHBondContact O-N 2.77Å; Q57-A61 VanDerWaalsContact O-N 3.08Å; E58-A61 PolarHBondContact O-N 2.99Å; A61-A64 PolarHBondContact O-N 3.11Å; A61-L65 WeakPolarHBondContact O-CG 3.47Å; A61-L65 PolarHBondContact O-N 3.19Å; A61-V109 HydrophobicContact CB-CG1 4.04Å; A61-V109 HydrophobicContact CB-CG2 4.08Å
62M97.2Very high96.5Very high27 Ų2728 Ų2813%0.13314%0.141CC..Hα-helixtrans-62.4-49.5174.9-76.5-59.9-50.200111.7E58 W59 A64 L65 T66 K108 V109 K112E58-M62 HydrophobicContact CG-CG 3.96Å; E58-M62 WeakPolarHBondContact O-CB 3.39Å; E58-M62 VanDerWaalsContact O-CG 3.27Å; E58-M62 WeakPolarHBondContact O-CG 3.26Å; E58-M62 PolarHBondContact O-N 3.48Å; W59-M62 HydrophobicContact CE3-CB 4.13Å; W59-M62 HydrophobicContact CZ3-CB 4.42Å; M62-A64 VanDerWaalsContact C-N 3.28Å; M62-A64 PolarHBondContact O-N 2.9Å; M62-L65 WeakPolarHBondContact O-CB 3.37Å; M62-L65 PolarHBondContact O-N 2.78Å; M62-L65 VanDerWaalsContact O-N 3.08Å; M62-T66 PolarHBondContact O-N 2.86Å; M62-T66 PolarHBondContact O-OG1 2.78Å; M62-K108 HydrophobicContact CG-CD 4.44Å; M62-K108 HydrophobicContact SD-CD 4.2Å; M62-K108 HydrophobicContact SD-CG 4.02Å; M62-V109 HydrophobicContact CG-CG2 4Å; M62-V109 HydrophobicContact SD-CG2 3.94Å; M62-K112 HydrophobicContact CE-CB 4.46Å; M62-K112 HydrophobicContact CE-CG 4.33Å
63Q97.3Very high96.3Very high3 Ų331.9 Ų31.91%0.01416%0.159CC..Hα-helixtrans-59.8-39.5175.8-74.317499.200111.6A15 T16 N17 N20 W59 L65 T66 V67A15-Q63 PolarHBondContact O-OE1 3.35Å; A15-Q63 VanDerWaalsContact O-OE1 3.12Å; T16-Q63 HydrophobicContact CG2-CB 4.34Å; N17-Q63 PolarHBondContact O-NE2 2.99Å; N20-Q63 VanDerWaalsContact CB-OE1 3.25Å; N20-Q63 PolarHBondContact ND2-OE1 3.4Å; W59-Q63 HydrophobicContact CD2-CG 4.22Å; W59-Q63 HydrophobicContact CE3-CG 4.45Å; W59-Q63 HydrophobicContact CH2-CG 4.14Å; W59-Q63 HydrophobicContact CZ2-CG 3.91Å; W59-Q63 HydrophobicContact CZ3-CG 4.41Å; W59-Q63 WeakPolarHBondContact O-CB 3.36Å; W59-Q63 VanDerWaalsContact O-CG 3.29Å; W59-Q63 WeakPolarHBondContact O-CG 3.46Å; W59-Q63 PolarHBondContact O-N 3.46Å; W59-Q63 PolarHBondContact O-NE2 3.13Å; Q63-L65 VanDerWaalsContact C-N 3.29Å; Q63-L65 PolarHBondContact O-N 2.91Å; Q63-T66 PolarHBondContact O-N 3.47Å; Q63-V67 WeakPolarHBondContact O-CG2 3.43Å; Q63-V67 PolarHBondContact O-N 3.35Å
64A98.2Very high96Very high0 Ų035.5 Ų35.50%018%0.178CC..Hα-helixtrans-65.6-29.6176.200000113.4T16 K52 I53 E60 A61 M62 L68T16-A64 HydrophobicContact CG2-CB 3.93Å; K52-A64 HydrophobicContact CB-CB 3.53Å; I53-A64 HydrophobicContact CG1-CB 3.66Å; E60-A64 WeakPolarHBondContact O-CB 3.45Å; E60-A64 PolarHBondContact O-N 3.46Å; A61-A64 PolarHBondContact O-N 3.11Å; M62-A64 VanDerWaalsContact C-N 3.28Å; M62-A64 PolarHBondContact O-N 2.9Å; A64-L68 WeakPolarHBondContact O-CB 3.49Å; A64-L68 PolarHBondContact O-N 3.12Å
65L97.9Very high95.7Very high1 Ų133.4 Ų33.41%0.00517%0.169CC..Hα-helixtrans-72.7-39.6170.6-70.1171.2000111.9I53 A61 M62 Q63 L68 E69 V109 K112 V113 M116I53-L65 HydrophobicContact CD1-CD2 3.9Å; I53-L65 HydrophobicContact CG1-CD2 3.99Å; I53-L65 HydrophobicContact CG1-CG 4.22Å; I53-L65 HydrophobicContact CG2-CD2 3.8Å; I53-L65 HydrophobicContact CG2-CG 4.2Å; A61-L65 WeakPolarHBondContact O-CG 3.47Å; A61-L65 PolarHBondContact O-N 3.19Å; M62-L65 WeakPolarHBondContact O-CB 3.37Å; M62-L65 PolarHBondContact O-N 2.78Å; M62-L65 VanDerWaalsContact O-N 3.08Å; Q63-L65 VanDerWaalsContact C-N 3.29Å; Q63-L65 PolarHBondContact O-N 2.91Å; L65-L68 HydrophobicContact CD2-CD2 4.32Å; L65-L68 PolarHBondContact O-N 3.24Å; L65-E69 PolarHBondContact O-N 3.09Å; L65-V109 HydrophobicContact CD1-CG1 3.97Å; L65-K112 HydrophobicContact CB-CG 4.33Å; L65-K112 HydrophobicContact CD1-CB 4.06Å; L65-K112 HydrophobicContact CD1-CG 4.02Å; L65-V113 HydrophobicContact CD1-CG2 3.88Å; L65-V113 HydrophobicContact CD2-CG2 3.78Å; L65-V113 HydrophobicContact CG-CG2 4.49Å; L65-M116 HydrophobicContact CB-SD 3.99Å; L65-M116 HydrophobicContact CD2-CE 4.33Å; L65-M116 HydrophobicContact CD2-SD 3.92Å; L65-M116 HydrophobicContact CG-SD 4.45Å; L65-M116 WeakPolarHBondContact O-CE 3.28Å
66T96.9Very high95.4Very high16 Ų1634.1 Ų34.110%0.09818%0.179CC..Hα-helixtrans-59.8-45.7170.9-57.20000111.1E23 W25 I28 M62 Q63 L68 E69 A70E23-T66 HydrophobicContact CG-CG2 4.42Å; E23-T66 WeakPolarHBondContact OE1-CB 3.38Å; E23-T66 WeakPolarHBondContact OE1-CG2 2.85Å; E23-T66 PolarHBondContact OE1-OG1 2.91Å; W25-T66 HydrophobicContact CH2-CG2 4.12Å; W25-T66 HydrophobicContact CZ2-CG2 3.97Å; I28-T66 HydrophobicContact CD1-CG2 4.19Å; M62-T66 PolarHBondContact O-N 2.86Å; M62-T66 PolarHBondContact O-OG1 2.78Å; Q63-T66 PolarHBondContact O-N 3.47Å; T66-L68 PolarHBondContact O-N 3.29Å; T66-E69 PolarHBondContact O-N 2.94Å; T66-A70 PolarHBondContact O-N 2.83Å
67V97.9Very high95.2Very high0 Ų036.9 Ų36.90%017%0.173CC..Hα-helixtrans-58.9-46.5174.7178.70000110.7L12 A15 T16 I28 F31 L49 Q63 E69 A70 C71L12-V67 HydrophobicContact CD1-CB 4.34Å; L12-V67 HydrophobicContact CD1-CG1 3.87Å; L12-V67 HydrophobicContact CD1-CG2 4.26Å; A15-V67 HydrophobicContact CB-CG2 3.92Å; T16-V67 HydrophobicContact CG2-CG2 4.12Å; I28-V67 HydrophobicContact CG1-CG2 3.91Å; F31-V67 HydrophobicContact CD1-CG1 3.31Å; F31-V67 HydrophobicContact CE1-CG1 3.58Å; F31-V67 HydrophobicContact CG-CG1 4.33Å; L49-V67 HydrophobicContact CD2-CB 4.03Å; L49-V67 HydrophobicContact CD2-CG1 3.79Å; Q63-V67 WeakPolarHBondContact O-CG2 3.43Å; Q63-V67 PolarHBondContact O-N 3.35Å; V67-E69 VanDerWaalsContact C-N 3.33Å; V67-E69 PolarHBondContact O-N 2.7Å; V67-A70 PolarHBondContact O-N 2.95Å; V67-C71 PolarHBondContact O-N 2.84Å; V67-C71 PolarHBondContact O-SG 3.48Å
68L98.1Very high95.2Very high0 Ų037.3 Ų37.30%017%0.171CC..Hα-helixtrans-61-39.4177174.760.1000112.4L49 I53 A64 L65 T66 C71 M72 F79 V83 F88 M116 W120L49-L68 HydrophobicContact CD1-CB 4.35Å; L49-L68 HydrophobicContact CD1-CD1 4.1Å; L49-L68 HydrophobicContact CD2-CB 4.46Å; I53-L68 HydrophobicContact CD1-CB 4.41Å; I53-L68 HydrophobicContact CD1-CD2 3.61Å; A64-L68 WeakPolarHBondContact O-CB 3.49Å; A64-L68 PolarHBondContact O-N 3.12Å; L65-L68 HydrophobicContact CD2-CD2 4.32Å; L65-L68 PolarHBondContact O-N 3.24Å; T66-L68 PolarHBondContact O-N 3.29Å; L68-C71 PolarHBondContact O-N 2.88Å; L68-M72 HydrophobicContact CD1-CG 4.29Å; L68-M72 WeakPolarHBondContact O-CB 3.48Å; L68-M72 VanDerWaalsContact O-CG 3.26Å; L68-M72 WeakPolarHBondContact O-CG 3.32Å; L68-M72 PolarHBondContact O-N 2.82Å; L68-F79 HydrophobicContact CD1-CE1 3.97Å; L68-F79 HydrophobicContact CD1-CZ 3.82Å; L68-V83 HydrophobicContact CD1-CG2 4.09Å; L68-F88 HydrophobicContact CD1-CE1 4.18Å; L68-F88 HydrophobicContact CD1-CZ 3.91Å; L68-F88 HydrophobicContact CD2-CE1 4.08Å; L68-F88 HydrophobicContact CD2-CZ 3.7Å; L68-F88 HydrophobicContact CG-CZ 4.49Å; L68-M116 HydrophobicContact CB-CE 4.07Å; L68-M116 HydrophobicContact CD2-CE 3.91Å; L68-M116 HydrophobicContact CG-CE 3.79Å; L68-W120 HydrophobicContact CD1-CH2 4.4Å; L68-W120 HydrophobicContact CD2-CH2 3.82Å; L68-W120 HydrophobicContact CD2-CZ2 4.43Å; L68-W120 HydrophobicContact CG-CH2 4.04Å; L68-W120 HydrophobicContact CG-CZ2 4.22Å
69E95.3Very high95.2Very high48 Ų4833.8 Ų33.822%0.22415%0.154CC..Hα-helixtrans-64.9-42.4175.3-158.2-171.4116.800111.7L65 T66 V67 M72 K73 K112 M116L65-E69 PolarHBondContact O-N 3.09Å; T66-E69 PolarHBondContact O-N 2.94Å; V67-E69 VanDerWaalsContact C-N 3.33Å; V67-E69 PolarHBondContact O-N 2.7Å; E69-M72 PolarHBondContact O-N 2.83Å; E69-K73 WeakPolarHBondContact O-CG 3.42Å; E69-K73 PolarHBondContact O-N 3.01Å; E69-K73 VanDerWaalsContact O-N 3.09Å; E69-K73 IonicContact OE1-NZ 3.3Å; E69-K73 PolarHBondContact OE1-NZ 3.17Å; E69-K112 VanDerWaalsContact OE2-CE 3.23Å; E69-K112 WeakPolarHBondContact OE2-CE 3.49Å; E69-K112 IonicContact OE2-NZ 2.77Å; E69-K112 PolarHBondContact OE2-NZ 3.12Å; E69-M116 HydrophobicContact CB-CE 3.95Å
70A95.2Very high95.2Very high4 Ų430.9 Ų30.93%0.03314%0.144CC..Hα-helixtrans-64.6-42174.400000112.2W25 I28 T66 V67 M72 K73 N74W25-A70 HydrophobicContact CZ3-CB 4.19Å; I28-A70 HydrophobicContact CG2-CB 3.44Å; I28-A70 VanDerWaalsContact CG2-CB 3.44Å; T66-A70 PolarHBondContact O-N 2.83Å; V67-A70 PolarHBondContact O-N 2.95Å; A70-M72 PolarHBondContact O-N 2.86Å; A70-K73 PolarHBondContact O-N 3.09Å; A70-K73 VanDerWaalsContact O-N 3.15Å; A70-N74 WeakPolarHBondContact O-CB 3.45Å; A70-N74 PolarHBondContact O-N 3.23Å; A70-N74 PolarHBondContact O-ND2 2.92Å
71C96.8Very high95.1Very high0 Ų033.8 Ų33.80%016%0.16CC..Hα-helixtrans-63.2-41.1174.8-660000111.6C32 I35 V67 L68 K73 N74 C75 F79C32-C71 VanDerWaalsContact SG-SG 3.62Å; I35-C71 HydrophobicContact CD1-CB 4.44Å; I35-C71 VanDerWaalsContact CD1-SG 3.56Å; V67-C71 PolarHBondContact O-N 2.84Å; V67-C71 PolarHBondContact O-SG 3.48Å; L68-C71 PolarHBondContact O-N 2.88Å; C71-K73 PolarHBondContact O-N 3.26Å; C71-N74 PolarHBondContact O-N 3.38Å; C71-C75 VanDerWaalsContact O-CB 3.22Å; C71-C75 WeakPolarHBondContact O-CB 3.48Å; C71-C75 PolarHBondContact O-N 3Å; C71-F79 HydrophobicContact CB-CD1 3.94Å; C71-F79 HydrophobicContact CB-CD2 4.49Å; C71-F79 HydrophobicContact CB-CE1 3.34Å; C71-F79 HydrophobicContact CB-CE2 3.98Å; C71-F79 HydrophobicContact CB-CG 4.48Å; C71-F79 HydrophobicContact CB-CZ 3.37Å
72M94.6Very high95Very high1 Ų135 Ų351%0.00517%0.166CC..Hα-helixtrans-64-28.2175-72.2-63.8-83.400112.9L68 E69 A70 F79 H80 V83 W120 L124 L155L68-M72 HydrophobicContact CD1-CG 4.29Å; L68-M72 WeakPolarHBondContact O-CB 3.48Å; L68-M72 VanDerWaalsContact O-CG 3.26Å; L68-M72 WeakPolarHBondContact O-CG 3.32Å; L68-M72 PolarHBondContact O-N 2.82Å; E69-M72 PolarHBondContact O-N 2.83Å; A70-M72 PolarHBondContact O-N 2.86Å; M72-F79 HydrophobicContact CG-CD1 4.42Å; M72-F79 HydrophobicContact CG-CE1 3.94Å; M72-F79 HydrophobicContact SD-CD1 3.77Å; M72-F79 HydrophobicContact SD-CE1 3.68Å; M72-H80 PolarHBondContact O-NE2 3.05Å; M72-V83 HydrophobicContact CE-CB 4.32Å; M72-V83 HydrophobicContact CE-CG1 3.84Å; M72-V83 HydrophobicContact SD-CB 3.86Å; M72-V83 HydrophobicContact SD-CG1 3.81Å; M72-V83 HydrophobicContact SD-CG2 3.76Å; M72-W120 HydrophobicContact CE-CD2 3.84Å; M72-W120 HydrophobicContact CE-CE3 4.4Å; M72-W120 HydrophobicContact CE-CG 4.05Å; M72-W120 HydrophobicContact CE-CZ2 4.24Å; M72-W120 HydrophobicContact CG-CZ2 3.73Å; M72-L124 HydrophobicContact CE-CD1 3.42Å; M72-L124 VanDerWaalsContact CE-CD1 3.42Å; M72-L155 HydrophobicContact CB-CD1 3.91Å; M72-L155 HydrophobicContact CB-CD2 4.04Å; M72-L155 HydrophobicContact CE-CD1 3.9Å
73K91.8Very high95Very high102 Ų10233.7 Ų33.744%0.44316%0.159SC..Hα-helixtrans-80-36.4174.6-71.9167.7174.61730113E69 A70 C71 L155E69-K73 WeakPolarHBondContact O-CG 3.42Å; E69-K73 PolarHBondContact O-N 3.01Å; E69-K73 VanDerWaalsContact O-N 3.09Å; E69-K73 IonicContact OE1-NZ 3.3Å; E69-K73 PolarHBondContact OE1-NZ 3.17Å; A70-K73 PolarHBondContact O-N 3.09Å; A70-K73 VanDerWaalsContact O-N 3.15Å; C71-K73 PolarHBondContact O-N 3.26Å; K73-L155 HydrophobicContact CG-CD2 3.52Å
74N91.6Very high94.9Very high77 Ų7733.6 Ų33.641%0.41216%0.159SC..Hα-helixtrans-112.8-18.5-166.8-62.9-71.5000116.4M29 C32 N36 A70 C71M29-N74 HydrophobicContact CE-CB 4.43Å; C32-N74 HydrophobicContact CB-CB 4.28Å; N36-N74 PolarHBondContact ND2-O 3.47Å; A70-N74 WeakPolarHBondContact O-CB 3.45Å; A70-N74 PolarHBondContact O-N 3.23Å; A70-N74 PolarHBondContact O-ND2 2.92Å; C71-N74 PolarHBondContact O-N 3.38Å
75C91Very high94.8Very high7 Ų737.5 Ų37.55%0.04718%0.176CC..SBendtrans-95.7-2.7-174.6-59.10000114.6I35 N36 C71 F79I35-C75 HydrophobicContact CG2-CB 4.06Å; N36-C75 WeakPolarHBondContact OD1-CA 3.36Å; N36-C75 PolarHBondContact OD1-O 2.88Å; C71-C75 VanDerWaalsContact O-CB 3.22Å; C71-C75 WeakPolarHBondContact O-CB 3.48Å; C71-C75 PolarHBondContact O-N 3Å; C75-F79 HydrophobicContact CB-CB 3.41Å; C75-F79 VanDerWaalsContact CB-CB 3.41Å; C75-F79 HydrophobicContact CB-CD1 4.22Å; C75-F79 HydrophobicContact CB-CD2 4.38Å; C75-F79 HydrophobicContact CB-CG 3.77Å
76G89.9Confident94.7Very high30 Ų3041 Ų4131%0.30919%0.191SC..Hα-helixtrans57.1-162.6173.500000115.9R78 F79 H80G76-R78 VanDerWaalsContact C-N 3.28Å; G76-R78 PolarHBondContact O-N 3.39Å; G76-R78 VanDerWaalsContact O-N 3.14Å; G76-F79 PolarHBondContact O-N 3.46Å; G76-H80 PolarHBondContact O-CD2 3.32Å; G76-H80 VanDerWaalsContact O-CG 3.28Å; G76-H80 PolarHBondContact O-N 3.26Å; G76-H80 PolarHBondContact O-ND1 2.99Å
77R90Very high94.7Very high182 Ų18248.2 Ų48.269%0.68722%0.221SC*.Hα-helixtrans-59.5-30.1-168.4-74-163.5-91.6-159.9-5.6114.9F79 H80 N81R77-F79 VanDerWaalsContact C-N 3.27Å; R77-F79 PolarHBondContact O-N 2.8Å; R77-H80 PolarHBondContact O-N 3.24Å; R77-N81 VanDerWaalsContact O-CB 3.28Å; R77-N81 WeakPolarHBondContact O-CB 3.35Å; R77-N81 PolarHBondContact O-N 2.93Å; R77-N81 PolarHBondContact O-OD1 2.91Å; R77-N81 VanDerWaalsContact O-OD1 3.05Å
78R93.6Very high94.7Very high104 Ų10448.4 Ų48.439%0.39222%0.222SC..Hα-helixtrans-60.9-36.5175.5-80.4179.363.8-137.5-1.2112.2N36 E38 L39 P42 G76N36-R78 PolarHBondContact O-NH1 3.09Å; N36-R78 VanDerWaalsContact O-NH1 3.12Å; E38-R78 PolarHBondContact O-NH2 3.07Å; L39-R78 PolarHBondContact O-NH2 2.88Å; P42-R78 HydrophobicContact CG-CB 4.12Å; G76-R78 VanDerWaalsContact C-N 3.28Å; G76-R78 PolarHBondContact O-N 3.39Å; G76-R78 VanDerWaalsContact O-N 3.14Å
79F96.7Very high94.6Very high0 Ų048.5 Ų48.50%022%0.222CC..Hα-helixtrans-83.9-41.5176.7-175.9-98.6000112.1I35 S45 V46 L49 L68 C71 M72 C75 G76 R77 N81 E82 V83I35-F79 HydrophobicContact CD1-CD2 4.4Å; I35-F79 HydrophobicContact CD1-CE2 4.2Å; I35-F79 HydrophobicContact CG2-CD2 4.13Å; S45-F79 WeakPolarHBondContact OG-CE2 3.4Å; V46-F79 HydrophobicContact CG1-CD2 4.15Å; V46-F79 HydrophobicContact CG1-CE2 3.6Å; V46-F79 HydrophobicContact CG1-CZ 4.05Å; L49-F79 HydrophobicContact CD1-CE2 4.25Å; L49-F79 HydrophobicContact CD1-CZ 3.9Å; L68-F79 HydrophobicContact CD1-CE1 3.97Å; L68-F79 HydrophobicContact CD1-CZ 3.82Å; C71-F79 HydrophobicContact CB-CD1 3.94Å; C71-F79 HydrophobicContact CB-CD2 4.49Å; C71-F79 HydrophobicContact CB-CE1 3.34Å; C71-F79 HydrophobicContact CB-CE2 3.98Å; C71-F79 HydrophobicContact CB-CG 4.48Å; C71-F79 HydrophobicContact CB-CZ 3.37Å; M72-F79 HydrophobicContact CG-CD1 4.42Å; M72-F79 HydrophobicContact CG-CE1 3.94Å; M72-F79 HydrophobicContact SD-CD1 3.77Å; M72-F79 HydrophobicContact SD-CE1 3.68Å; C75-F79 HydrophobicContact CB-CB 3.41Å; C75-F79 VanDerWaalsContact CB-CB 3.41Å; C75-F79 HydrophobicContact CB-CD1 4.22Å; C75-F79 HydrophobicContact CB-CD2 4.38Å; C75-F79 HydrophobicContact CB-CG 3.77Å; G76-F79 PolarHBondContact O-N 3.46Å; R77-F79 VanDerWaalsContact C-N 3.27Å; R77-F79 PolarHBondContact O-N 2.8Å; F79-N81 VanDerWaalsContact C-N 3.29Å; F79-N81 PolarHBondContact O-N 3.3Å; F79-E82 PolarHBondContact O-N 2.83Å; F79-V83 HydrophobicContact CD1-CG2 4.04Å; F79-V83 HydrophobicContact CE1-CG2 3.56Å; F79-V83 HydrophobicContact CE2-CG2 4.48Å; F79-V83 HydrophobicContact CZ-CG2 3.82Å; F79-V83 PolarHBondContact O-N 2.87Å
80H95.1Very high94.7Very high24 Ų2449.8 Ų49.811%0.11123%0.231CC..Hα-helixtrans-53.2-46.9174.6-55.4157.3000111.7M72 G76 R77 E82 V83 G84 L124M72-H80 PolarHBondContact O-NE2 3.05Å; G76-H80 PolarHBondContact O-CD2 3.32Å; G76-H80 VanDerWaalsContact O-CG 3.28Å; G76-H80 PolarHBondContact O-N 3.26Å; G76-H80 PolarHBondContact O-ND1 2.99Å; R77-H80 PolarHBondContact O-N 3.24Å; H80-E82 PolarHBondContact O-N 2.83Å; H80-E82 VanDerWaalsContact O-N 3.17Å; H80-V83 PolarHBondContact O-N 2.85Å; H80-G84 PolarHBondContact O-N 2.77Å; H80-L124 HydrophobicContact CB-CD1 4.46Å
81N93.6Very high94.8Very high83 Ų8351.9 Ų51.944%0.44424%0.24SC..Hα-helixtrans-61-23.4178.7-69.44.6000113.9R77 F79 K85R77-N81 VanDerWaalsContact O-CB 3.28Å; R77-N81 WeakPolarHBondContact O-CB 3.35Å; R77-N81 PolarHBondContact O-N 2.93Å; R77-N81 PolarHBondContact O-OD1 2.91Å; R77-N81 VanDerWaalsContact O-OD1 3.05Å; F79-N81 VanDerWaalsContact C-N 3.29Å; F79-N81 PolarHBondContact O-N 3.3Å; N81-K85 WeakPolarHBondContact O-CE 3.45Å; N81-K85 WeakPolarHBondContact O-CG 3.5Å
82E96.5Very high94.9Very high26 Ų2652 Ų5212%0.12124%0.241CC..Hα-helixtrans-87.3-40.6175-66.7-57.1146.700111.5P42 Q43 V46 F79 H80 G84 K85P42-E82 HydrophobicContact CB-CG 3.87Å; Q43-E82 HydrophobicContact CG-CG 4.23Å; Q43-E82 PolarHBondContact NE2-OE1 3.35Å; V46-E82 HydrophobicContact CG1-CB 3.93Å; V46-E82 HydrophobicContact CG2-CB 4.23Å; F79-E82 PolarHBondContact O-N 2.83Å; H80-E82 PolarHBondContact O-N 2.83Å; H80-E82 VanDerWaalsContact O-N 3.17Å; E82-G84 VanDerWaalsContact C-N 3.34Å; E82-G84 PolarHBondContact O-N 3.5Å; E82-K85 WeakPolarHBondContact O-CB 3.37Å; E82-K85 PolarHBondContact O-N 2.94Å; E82-K85 IonicContact OE1-NZ 3.16Å; E82-K85 PolarHBondContact OE1-NZ 2.89Å; E82-K85 WeakPolarHBondContact OE2-CD 3.39Å; E82-K85 WeakPolarHBondContact OE2-CE 3.49Å; E82-K85 IonicContact OE2-NZ 2.79Å; E82-K85 PolarHBondContact OE2-NZ 3.06Å
83V97Very high94.9Very high0 Ų052.7 Ų52.70%024%0.244CC..Hα-helixtrans-63.1-38.8174.5169.10000111.6V46 L68 M72 F79 H80 K85 F88 L89 W120V46-V83 HydrophobicContact CG1-CG2 3.86Å; L68-V83 HydrophobicContact CD1-CG2 4.09Å; M72-V83 HydrophobicContact CE-CB 4.32Å; M72-V83 HydrophobicContact CE-CG1 3.84Å; M72-V83 HydrophobicContact SD-CB 3.86Å; M72-V83 HydrophobicContact SD-CG1 3.81Å; M72-V83 HydrophobicContact SD-CG2 3.76Å; F79-V83 HydrophobicContact CD1-CG2 4.04Å; F79-V83 HydrophobicContact CE1-CG2 3.56Å; F79-V83 HydrophobicContact CE2-CG2 4.48Å; F79-V83 HydrophobicContact CZ-CG2 3.82Å; F79-V83 PolarHBondContact O-N 2.87Å; H80-V83 PolarHBondContact O-N 2.85Å; V83-K85 PolarHBondContact O-N 2.99Å; V83-K85 VanDerWaalsContact O-N 3.15Å; V83-F88 HydrophobicContact CB-CD1 4.1Å; V83-F88 HydrophobicContact CB-CE1 4.31Å; V83-F88 HydrophobicContact CG1-CD1 3.86Å; V83-F88 HydrophobicContact CG1-CE1 3.85Å; V83-F88 HydrophobicContact CG2-CD1 4.12Å; V83-F88 HydrophobicContact CG2-CE1 4Å; V83-L89 WeakPolarHBondContact O-CD2 3.4Å; V83-L89 WeakPolarHBondContact O-CG 3.24Å; V83-W120 HydrophobicContact CG1-CE3 4.17Å; V83-W120 HydrophobicContact CG1-CH2 4.15Å; V83-W120 HydrophobicContact CG1-CZ3 3.79Å
84G95.4Very high95.1Very high0 Ų050.8 Ų50.80%024%0.236CC..THydrogen-bonded Turntrans-67.2-6176.300000115.1H80 E82 K129H80-G84 PolarHBondContact O-N 2.77Å; E82-G84 VanDerWaalsContact C-N 3.34Å; E82-G84 PolarHBondContact O-N 3.5Å; G84-K129 VanDerWaalsContact O-CB 3.29Å; G84-K129 WeakPolarHBondContact O-CB 3.28Å; G84-K129 WeakPolarHBondContact O-CD 3.35Å
85K95.9Very high95.4Very high82 Ų8247.2 Ų47.236%0.35722%0.217SC..SBendtrans-82.8138.8176.6-67.1171.7-169.51750111.1N81 E82 V83 K87 F88 L89N81-K85 WeakPolarHBondContact O-CE 3.45Å; N81-K85 WeakPolarHBondContact O-CG 3.5Å; E82-K85 WeakPolarHBondContact O-CB 3.37Å; E82-K85 PolarHBondContact O-N 2.94Å; E82-K85 IonicContact OE1-NZ 3.16Å; E82-K85 PolarHBondContact OE1-NZ 2.89Å; E82-K85 WeakPolarHBondContact OE2-CD 3.39Å; E82-K85 WeakPolarHBondContact OE2-CE 3.49Å; E82-K85 IonicContact OE2-NZ 2.79Å; E82-K85 PolarHBondContact OE2-NZ 3.06Å; V83-K85 PolarHBondContact O-N 2.99Å; V83-K85 VanDerWaalsContact O-N 3.15Å; K85-K87 HydrophobicContact CB-CB 4.49Å; K85-K87 PolarHBondContact O-N 2.93Å; K85-F88 PolarHBondContact O-N 3.32Å; K85-L89 PolarHBondContact O-N 3.15Å
86F96.3Very high95.6Very high74 Ų7447.1 Ų47.133%0.32522%0.216SC..Hα-helixtrans-52.5-25.7169.9-69.6-57.2000114F88 L89 N90 K129 E132F86-F88 PolarHBondContact O-N 3.14Å; F86-L89 HydrophobicContact CD1-CD1 4.29Å; F86-N90 WeakPolarHBondContact O-CB 3.21Å; F86-N90 PolarHBondContact O-N 3.2Å; F86-N90 PolarHBondContact O-ND2 2.83Å; F86-K129 HydrophobicContact CD2-CD 3.87Å; F86-K129 HydrophobicContact CD2-CG 4.44Å; F86-K129 HydrophobicContact CE1-CB 4.1Å; F86-K129 HydrophobicContact CE2-CB 4.09Å; F86-K129 HydrophobicContact CE2-CD 3.74Å; F86-K129 HydrophobicContact CE2-CG 3.85Å; F86-K129 HydrophobicContact CZ-CB 3.8Å; F86-K129 HydrophobicContact CZ-CD 4.33Å; F86-K129 HydrophobicContact CZ-CG 4.01Å; F86-E132 HydrophobicContact CZ-CB 4.29Å; F86-E132 WeakPolarHBondContact CZ-OE2 3.22Å
87K95.6Very high95.8Very high169 Ų16945.8 Ų45.874%0.73520%0.202SC*.Hα-helixtrans-58.5-31.9172.6-173.9176.9177.8-1770113.2K85K85-K87 HydrophobicContact CB-CB 4.49Å; K85-K87 PolarHBondContact O-N 2.93Å
88F98.1Very high95.8Very high4 Ų440.5 Ų40.52%0.01819%0.191CC..Hα-helixtrans-95.5-45.8174-178.8-104.9000111.7V46 A50 L68 V83 K85 F86 N90 E91 L92V46-F88 HydrophobicContact CB-CD2 3.74Å; V46-F88 HydrophobicContact CB-CE2 4.07Å; V46-F88 HydrophobicContact CB-CG 4.31Å; V46-F88 WeakPolarHBondContact O-CD2 3.35Å; V46-F88 VanDerWaalsContact O-CE2 3.23Å; V46-F88 WeakPolarHBondContact O-CE2 3.47Å; A50-F88 HydrophobicContact CB-CD2 4.06Å; A50-F88 HydrophobicContact CB-CE2 3.94Å; L68-F88 HydrophobicContact CD1-CE1 4.18Å; L68-F88 HydrophobicContact CD1-CZ 3.91Å; L68-F88 HydrophobicContact CD2-CE1 4.08Å; L68-F88 HydrophobicContact CD2-CZ 3.7Å; L68-F88 HydrophobicContact CG-CZ 4.49Å; V83-F88 HydrophobicContact CB-CD1 4.1Å; V83-F88 HydrophobicContact CB-CE1 4.31Å; V83-F88 HydrophobicContact CG1-CD1 3.86Å; V83-F88 HydrophobicContact CG1-CE1 3.85Å; V83-F88 HydrophobicContact CG2-CD1 4.12Å; V83-F88 HydrophobicContact CG2-CE1 4Å; K85-F88 PolarHBondContact O-N 3.32Å; F86-F88 PolarHBondContact O-N 3.14Å; F88-N90 PolarHBondContact O-N 3.4Å; F88-E91 WeakPolarHBondContact O-CB 3.28Å; F88-E91 PolarHBondContact O-N 2.61Å; F88-L92 HydrophobicContact CD1-CD1 4.33Å; F88-L92 HydrophobicContact CE1-CD1 3.76Å; F88-L92 HydrophobicContact CE1-CG 4.12Å; F88-L92 HydrophobicContact CZ-CD1 4.4Å; F88-L92 HydrophobicContact CZ-CD2 4.37Å; F88-L92 HydrophobicContact CZ-CG 4.41Å; F88-L92 PolarHBondContact O-N 2.95Å
89L97.6Very high95.7Very high1 Ų142.7 Ų42.71%0.00520%0.204CC..Hα-helixtrans-58.2-34.4-179.7-58.4172.6000112.5V83 K85 F86 E91 L92 I93 L117 K129 I130 A133V83-L89 WeakPolarHBondContact O-CD2 3.4Å; V83-L89 WeakPolarHBondContact O-CG 3.24Å; K85-L89 PolarHBondContact O-N 3.15Å; F86-L89 HydrophobicContact CD1-CD1 4.29Å; L89-E91 PolarHBondContact O-N 2.94Å; L89-L92 PolarHBondContact O-N 2.82Å; L89-I93 WeakPolarHBondContact O-CD1 3.38Å; L89-I93 VanDerWaalsContact O-CG1 3.27Å; L89-I93 WeakPolarHBondContact O-CG1 3.48Å; L89-I93 PolarHBondContact O-N 3.11Å; L89-L117 HydrophobicContact CD2-CD2 3.95Å; L89-K129 HydrophobicContact CD1-CB 4.14Å; L89-K129 WeakPolarHBondContact CD1-O 3.47Å; L89-I130 HydrophobicContact CD1-CG1 4.1Å; L89-I130 HydrophobicContact CD2-CG1 4.19Å; L89-A133 HydrophobicContact CB-CB 4.39Å; L89-A133 HydrophobicContact CD1-CB 4.15Å
90N96.2Very high95.5Very high76 Ų7649.8 Ų49.841%0.40623%0.232SC..Hα-helixtrans-63.9-27.9175.7-72.3-14.2000113F86 F88 I93 K94F86-N90 WeakPolarHBondContact O-CB 3.21Å; F86-N90 PolarHBondContact O-N 3.2Å; F86-N90 PolarHBondContact O-ND2 2.83Å; F88-N90 PolarHBondContact O-N 3.4Å; N90-I93 PolarHBondContact O-N 3.09Å; N90-K94 WeakPolarHBondContact O-CG 3.41Å; N90-K94 PolarHBondContact O-N 3.48Å; N90-K94 VanDerWaalsContact O-N 3.07Å
91E97.9Very high95.3Very high47 Ų4751 Ų5122%0.2224%0.238CC..Hα-helixtrans-72-41.1175.2-54.1-55.8128.700110.5A50 Q54 F88 L89 K94 V95A50-E91 HydrophobicContact CB-CB 3.88Å; A50-E91 HydrophobicContact CB-CG 3.95Å; Q54-E91 PolarHBondContact NE2-OE2 3.42Å; F88-E91 WeakPolarHBondContact O-CB 3.28Å; F88-E91 PolarHBondContact O-N 2.61Å; L89-E91 PolarHBondContact O-N 2.94Å; E91-K94 PolarHBondContact O-N 3.03Å; E91-K94 WeakPolarHBondContact OE1-CE 3.3Å; E91-K94 IonicContact OE1-NZ 2.71Å; E91-K94 PolarHBondContact OE1-NZ 3.4Å; E91-K94 IonicContact OE2-NZ 2.96Å; E91-K94 PolarHBondContact OE2-NZ 3.45Å; E91-V95 WeakPolarHBondContact O-CG2 3.5Å; E91-V95 PolarHBondContact O-N 3.3Å
92L97.5Very high94.9Very high3 Ų347 Ų472%0.01622%0.218CC..Hα-helixtrans-64.2-39.5171-60.6-176.4000112.1I53 F88 L89 K94 V95 V96 V113 L117 W120I53-L92 HydrophobicContact CD1-CD2 4.24Å; I53-L92 HydrophobicContact CG2-CD2 4.05Å; F88-L92 HydrophobicContact CD1-CD1 4.33Å; F88-L92 HydrophobicContact CE1-CD1 3.76Å; F88-L92 HydrophobicContact CE1-CG 4.12Å; F88-L92 HydrophobicContact CZ-CD1 4.4Å; F88-L92 HydrophobicContact CZ-CD2 4.37Å; F88-L92 HydrophobicContact CZ-CG 4.41Å; F88-L92 PolarHBondContact O-N 2.95Å; L89-L92 PolarHBondContact O-N 2.82Å; L92-K94 VanDerWaalsContact C-N 3.33Å; L92-K94 PolarHBondContact O-N 2.89Å; L92-V95 WeakPolarHBondContact O-CB 3.32Å; L92-V95 PolarHBondContact O-N 3.39Å; L92-V95 VanDerWaalsContact O-N 3.16Å; L92-V96 PolarHBondContact O-N 2.89Å; L92-V113 HydrophobicContact CB-CG1 3.91Å; L92-V113 HydrophobicContact CD2-CG1 4.35Å; L92-V113 HydrophobicContact CD2-CG2 4.5Å; L92-L117 HydrophobicContact CD1-CD2 4.09Å; L92-L117 HydrophobicContact CD1-CG 4.49Å; L92-W120 HydrophobicContact CD1-CH2 4.31Å; L92-W120 HydrophobicContact CD1-CZ3 3.93Å
93I95.7Very high94.6Very high16 Ų1652.1 Ų52.18%0.08225%0.246CC..Hα-helixtrans-61.3-38.2175.9-71.4157.3000111.5L89 N90 V95 S97 A133 M136 L137L89-I93 WeakPolarHBondContact O-CD1 3.38Å; L89-I93 VanDerWaalsContact O-CG1 3.27Å; L89-I93 WeakPolarHBondContact O-CG1 3.48Å; L89-I93 PolarHBondContact O-N 3.11Å; N90-I93 PolarHBondContact O-N 3.09Å; I93-V95 VanDerWaalsContact C-N 3.32Å; I93-V95 PolarHBondContact O-N 2.7Å; I93-S97 WeakPolarHBondContact O-CB 3.45Å; I93-S97 PolarHBondContact O-N 3.06Å; I93-A133 HydrophobicContact CD1-CB 4.1Å; I93-M136 HydrophobicContact CD1-CE 3.63Å; I93-M136 HydrophobicContact CG1-CE 4.09Å; I93-M136 HydrophobicContact CG2-CE 4.02Å; I93-L137 HydrophobicContact CG1-CD1 4.44Å; I93-L137 HydrophobicContact CG1-CD2 4.34Å; I93-L137 HydrophobicContact CG2-CD2 4.31Å
94K96.3Very high94.3Very high62 Ų6262.4 Ų62.427%0.2728%0.284SS..Hα-helixtrans-61.6-39.8174.6-70.5167.1-163173.10112.2N90 E91 L92 Y100 L101N90-K94 WeakPolarHBondContact O-CG 3.41Å; N90-K94 PolarHBondContact O-N 3.48Å; N90-K94 VanDerWaalsContact O-N 3.07Å; E91-K94 PolarHBondContact O-N 3.03Å; E91-K94 WeakPolarHBondContact OE1-CE 3.3Å; E91-K94 IonicContact OE1-NZ 2.71Å; E91-K94 PolarHBondContact OE1-NZ 3.4Å; E91-K94 IonicContact OE2-NZ 2.96Å; E91-K94 PolarHBondContact OE2-NZ 3.45Å; L92-K94 VanDerWaalsContact C-N 3.33Å; L92-K94 PolarHBondContact O-N 2.89Å; K94-Y100 HydrophobicContact CB-CG 4.33Å; K94-Y100 HydrophobicContact CG-CD1 4.31Å; K94-Y100 HydrophobicContact CG-CD2 4.38Å; K94-Y100 HydrophobicContact CG-CG 4.02Å; K94-L101 HydrophobicContact CB-CD1 4.43Å; K94-L101 WeakPolarHBondContact O-CB 3.38Å; K94-L101 PolarHBondContact O-N 3.17Å
95V96.5Very high94.2Very high1 Ų163.2 Ų63.21%0.00629%0.289CS..Hα-helixtrans-64.9-41.4-177.9173.20000111.4I53 Q54 E91 L92 I93 G102 V105 V109 V113I53-V95 HydrophobicContact CG2-CG2 4.33Å; Q54-V95 HydrophobicContact CG-CG2 3.53Å; E91-V95 WeakPolarHBondContact O-CG2 3.5Å; E91-V95 PolarHBondContact O-N 3.3Å; L92-V95 WeakPolarHBondContact O-CB 3.32Å; L92-V95 PolarHBondContact O-N 3.39Å; L92-V95 VanDerWaalsContact O-N 3.16Å; I93-V95 VanDerWaalsContact C-N 3.32Å; I93-V95 PolarHBondContact O-N 2.7Å; V95-G102 WeakPolarHBondContact O-CA 3.41Å; V95-V105 HydrophobicContact CG1-CB 4.48Å; V95-V105 HydrophobicContact CG1-CG1 3.92Å; V95-V105 HydrophobicContact CG1-CG2 4.27Å; V95-V109 HydrophobicContact CG1-CG1 4.14Å; V95-V113 HydrophobicContact CG1-CG2 4.22Å
96V95.6Very high94.1Very high5 Ų561.2 Ų61.23%0.0329%0.286CS..Hα-helixtrans-87.7-25-179.3-60.20000114.4L92 P98 K110 V113 I114 L137 I142L92-V96 PolarHBondContact O-N 2.89Å; V96-P98 WeakPolarHBondContact O-CD 3.48Å; V96-K110 HydrophobicContact CG1-CB 4.3Å; V96-V113 HydrophobicContact CG1-CB 3.71Å; V96-V113 HydrophobicContact CG1-CG1 3.54Å; V96-I114 HydrophobicContact CG1-CD1 4.45Å; V96-I114 HydrophobicContact CG1-CG1 4.04Å; V96-L137 HydrophobicContact CG2-CD1 3.89Å; V96-L137 HydrophobicContact CG2-CD2 3.61Å; V96-L137 HydrophobicContact CG2-CG 4.41Å; V96-I142 HydrophobicContact CB-CG2 4.31Å; V96-I142 HydrophobicContact CG2-CG2 4.33Å
97S94.1Very high93.9Very high3 Ų363.4 Ų63.42%0.02130%0.301CS..  trans-85.4125.2-172.9-175.10000112.6I93 K99 Y100 L101 G102I93-S97 WeakPolarHBondContact O-CB 3.45Å; I93-S97 PolarHBondContact O-N 3.06Å; S97-K99 PolarHBondContact O-N 3.02Å; S97-Y100 PolarHBondContact O-N 2.95Å; S97-L101 PolarHBondContact O-N 2.83Å; S97-G102 PolarHBondContact O-N 3.4Å
98P90.9Very high93.8Very high71 Ų7160.4 Ų60.446%0.46129%0.288SS..THydrogen-bonded Turntrans-53.9-25.7173.5-30.438.1000114.2V96 Y100 D103V96-P98 WeakPolarHBondContact O-CD 3.48Å; P98-Y100 PolarHBondContact O-N 3.44Å; P98-Y100 VanDerWaalsContact O-N 3.13Å; P98-D103 WeakPolarHBondContact CB-OD1 3.4Å
99K90.7Very high93.7Very high150 Ų15060.3 Ų60.365%0.65229%0.287SS*.THydrogen-bonded Turntrans-66.6-10.6178.1-63.1171.6-176.6164.20114S97S97-K99 PolarHBondContact O-N 3.02Å
100Y92.3Very high93.6Very high149 Ų14961.9 Ų61.958%0.58429%0.294SS*.THydrogen-bonded Turntrans-133.3-86.1-174.8-60.7-78000112.4K94 S97 P98K94-Y100 HydrophobicContact CB-CG 4.33Å; K94-Y100 HydrophobicContact CG-CD1 4.31Å; K94-Y100 HydrophobicContact CG-CD2 4.38Å; K94-Y100 HydrophobicContact CG-CG 4.02Å; S97-Y100 PolarHBondContact O-N 2.95Å; P98-Y100 PolarHBondContact O-N 3.44Å; P98-Y100 VanDerWaalsContact O-N 3.13Å
101L90.8Very high93.5Very high48 Ų4863.9 Ų63.925%0.25130%0.303SS..THydrogen-bonded Turntrans-116.2-7-176.9-57.5176.4000113.2Q54 K94 S97 D103 R104 V105Q54-L101 HydrophobicContact CB-CD1 4.22Å; Q54-L101 HydrophobicContact CG-CD1 3.84Å; K94-L101 HydrophobicContact CB-CD1 4.43Å; K94-L101 WeakPolarHBondContact O-CB 3.38Å; K94-L101 PolarHBondContact O-N 3.17Å; S97-L101 PolarHBondContact O-N 2.83Å; L101-D103 PolarHBondContact O-N 3.21Å; L101-D103 VanDerWaalsContact O-N 3.08Å; L101-R104 WeakPolarHBondContact O-CA 3.33Å; L101-R104 PolarHBondContact O-N 3.33Å; L101-V105 HydrophobicContact CB-CG2 4.06Å; L101-V105 PolarHBondContact O-N 3.03Å
102G86.6Confident93.3Very high1 Ų163.2 Ų63.21%0.0130%0.299CS..THydrogen-bonded Turntrans-57.6-26.7-174.800000115.3V95 S97 R104 K110V95-G102 WeakPolarHBondContact O-CA 3.41Å; S97-G102 PolarHBondContact O-N 3.4Å; G102-R104 VanDerWaalsContact C-N 3.33Å; G102-K110 WeakPolarHBondContact O-CD 3.4Å; G102-K110 PolarHBondContact O-NZ 3.23Å
103D89.8Confident93.3Very high133 Ų13363.2 Ų63.271%0.71130%0.299SS*.THydrogen-bonded Turntrans-83.5-8.1177.1-64.9-3.2000113.3P98 L101P98-D103 WeakPolarHBondContact CB-OD1 3.4Å; L101-D103 PolarHBondContact O-N 3.21Å; L101-D103 VanDerWaalsContact O-N 3.08Å
104R89.9Confident93.2Very high215 Ų21563.3 Ų63.381%0.81130%0.299SS*.THydrogen-bonded Turntrans-113.5-24.9-178.4-61.3179.7-177.5-113.9-0.8113.1L101 G102L101-R104 WeakPolarHBondContact O-CA 3.33Å; L101-R104 PolarHBondContact O-N 3.33Å; G102-R104 VanDerWaalsContact C-N 3.33Å
105V93.8Very high93.1Very high17 Ų1763.4 Ų63.410%0.10330%0.301CS..SBendtrans-88.4138.7177.1177.40000109.6V95 L101 V109 K110V95-V105 HydrophobicContact CG1-CB 4.48Å; V95-V105 HydrophobicContact CG1-CG1 3.92Å; V95-V105 HydrophobicContact CG1-CG2 4.27Å; L101-V105 HydrophobicContact CB-CG2 4.06Å; L101-V105 PolarHBondContact O-N 3.03Å; V105-V109 HydrophobicContact CG1-CB 3.58Å; V105-V109 HydrophobicContact CG1-CG1 3.55Å; V105-V109 HydrophobicContact CG1-CG2 4.41Å; V105-K110 HydrophobicContact CB-CD 4.49Å; V105-K110 HydrophobicContact CB-CG 4.28Å; V105-K110 HydrophobicContact CG1-CG 3.96Å; V105-K110 VanDerWaalsContact O-CE 3.24Å; V105-K110 WeakPolarHBondContact O-CE 3.32Å; V105-K110 PolarHBondContact O-NZ 2.84Å
106S93.9Very high93Very high40 Ų4063.6 Ų63.628%0.2830%0.302SS..  trans-65.7151.8-17977.80000112.7E58 K108 V109 K110E58-S106 VanDerWaalsContact OE2-CB 3.27Å; E58-S106 WeakPolarHBondContact OE2-CB 3.36Å; E58-S106 PolarHBondContact OE2-OG 2.86Å; S106-K108 PolarHBondContact O-N 2.88Å; S106-V109 PolarHBondContact O-N 3.07Å; S106-K110 PolarHBondContact O-N 2.9Å; S106-K110 VanDerWaalsContact O-N 3.12Å
107D92Very high92.9Very high120 Ų12063.4 Ų63.464%0.64230%0.301SS*.Hα-helixtrans-61.3-27.7-177.9-58.3-49.9000113K110 M111D107-K110 PolarHBondContact O-N 3.39Å; D107-K110 WeakPolarHBondContact OD1-CE 3.2Å; D107-K110 IonicContact OD1-NZ 2.72Å; D107-K110 PolarHBondContact OD1-NZ 3.29Å; D107-M111 VanDerWaalsContact O-CB 3.23Å; D107-M111 WeakPolarHBondContact O-CB 3.49Å; D107-M111 PolarHBondContact O-N 3.25Å
108K93.4Very high92.8Very high107 Ų10766.1 Ų66.147%0.46531%0.311SS..Hα-helixtrans-64.4-47.8175.1-174.2-168.1178.8-179.10112.5E58 M62 S106 M111 K112E58-K108 HydrophobicContact CG-CD 4.41Å; E58-K108 WeakPolarHBondContact OE1-CD 3.35Å; E58-K108 IonicContact OE1-NZ 2.77Å; E58-K108 PolarHBondContact OE1-NZ 2.77Å; M62-K108 HydrophobicContact CG-CD 4.44Å; M62-K108 HydrophobicContact SD-CD 4.2Å; M62-K108 HydrophobicContact SD-CG 4.02Å; S106-K108 PolarHBondContact O-N 2.88Å; K108-M111 PolarHBondContact O-N 3.3Å; K108-K112 PolarHBondContact O-N 3.4Å
109V96.1Very high92.9Very high1 Ų163.4 Ų63.41%0.00629%0.293CS..Hα-helixtrans-65.1-43.3176.7175.50000110E58 A61 M62 L65 V95 V105 S106 M111 K112 V113E58-V109 HydrophobicContact CG-CG2 4.02Å; A61-V109 HydrophobicContact CB-CG1 4.04Å; A61-V109 HydrophobicContact CB-CG2 4.08Å; M62-V109 HydrophobicContact CG-CG2 4Å; M62-V109 HydrophobicContact SD-CG2 3.94Å; L65-V109 HydrophobicContact CD1-CG1 3.97Å; V95-V109 HydrophobicContact CG1-CG1 4.14Å; V105-V109 HydrophobicContact CG1-CB 3.58Å; V105-V109 HydrophobicContact CG1-CG1 3.55Å; V105-V109 HydrophobicContact CG1-CG2 4.41Å; S106-V109 PolarHBondContact O-N 3.07Å; V109-M111 PolarHBondContact O-N 2.9Å; V109-K112 PolarHBondContact O-N 3.47Å; V109-V113 WeakPolarHBondContact O-CG2 3.23Å; V109-V113 PolarHBondContact O-N 3.34Å
110K94.8Very high93Very high35 Ų3556.4 Ų56.415%0.15226%0.262CS..Hα-helixtrans-62-43.6177.2-65.7178.8-61.2-167.50112V96 G102 V105 S106 D107 V113 I114V96-K110 HydrophobicContact CG1-CB 4.3Å; G102-K110 WeakPolarHBondContact O-CD 3.4Å; G102-K110 PolarHBondContact O-NZ 3.23Å; V105-K110 HydrophobicContact CB-CD 4.49Å; V105-K110 HydrophobicContact CB-CG 4.28Å; V105-K110 HydrophobicContact CG1-CG 3.96Å; V105-K110 VanDerWaalsContact O-CE 3.24Å; V105-K110 WeakPolarHBondContact O-CE 3.32Å; V105-K110 PolarHBondContact O-NZ 2.84Å; S106-K110 PolarHBondContact O-N 2.9Å; S106-K110 VanDerWaalsContact O-N 3.12Å; D107-K110 PolarHBondContact O-N 3.39Å; D107-K110 WeakPolarHBondContact OD1-CE 3.2Å; D107-K110 IonicContact OD1-NZ 2.72Å; D107-K110 PolarHBondContact OD1-NZ 3.29Å; K110-V113 PolarHBondContact O-N 3.43Å; K110-I114 WeakPolarHBondContact O-CG1 3.5Å; K110-I114 PolarHBondContact O-N 2.78Å
111M94Very high92.9Very high118 Ų11850.5 Ų50.558%0.58124%0.242SC*.Hα-helixtrans-60.7-47176.4-169.566.27100111.3D107 K108 V109 V113 I114 E115D107-M111 VanDerWaalsContact O-CB 3.23Å; D107-M111 WeakPolarHBondContact O-CB 3.49Å; D107-M111 PolarHBondContact O-N 3.25Å; K108-M111 PolarHBondContact O-N 3.3Å; V109-M111 PolarHBondContact O-N 2.9Å; M111-V113 VanDerWaalsContact C-N 3.34Å; M111-V113 PolarHBondContact O-N 2.81Å; M111-I114 PolarHBondContact O-N 3.37Å; M111-I114 VanDerWaalsContact O-N 3.12Å; M111-E115 WeakPolarHBondContact O-CB 3.34Å; M111-E115 PolarHBondContact O-N 2.76Å
112K94.8Very high92.8Very high33 Ų3351.7 Ų51.714%0.14325%0.251CS..Hα-helixtrans-64.2-36.1179.3-174.158.9-179.2179.80112.5M62 L65 E69 K108 V109 E115 M116M62-K112 HydrophobicContact CE-CB 4.46Å; M62-K112 HydrophobicContact CE-CG 4.33Å; L65-K112 HydrophobicContact CB-CG 4.33Å; L65-K112 HydrophobicContact CD1-CB 4.06Å; L65-K112 HydrophobicContact CD1-CG 4.02Å; E69-K112 VanDerWaalsContact OE2-CE 3.23Å; E69-K112 WeakPolarHBondContact OE2-CE 3.49Å; E69-K112 IonicContact OE2-NZ 2.77Å; E69-K112 PolarHBondContact OE2-NZ 3.12Å; K108-K112 PolarHBondContact O-N 3.4Å; V109-K112 PolarHBondContact O-N 3.47Å; K112-E115 VanDerWaalsContact CD-OE2 3.24Å; K112-E115 WeakPolarHBondContact CD-OE2 3.48Å; K112-E115 IonicContact NZ-OE1 2.77Å; K112-E115 PolarHBondContact NZ-OE1 3.02Å; K112-E115 IonicContact NZ-OE2 2.76Å; K112-E115 PolarHBondContact O-N 3.11Å; K112-M116 HydrophobicContact CD-CG 4.25Å; K112-M116 HydrophobicContact CD-SD 4.21Å; K112-M116 HydrophobicContact CG-CG 4.48Å; K112-M116 HydrophobicContact CG-SD 3.93Å; K112-M116 WeakPolarHBondContact O-CB 3.47Å; K112-M116 WeakPolarHBondContact O-CG 3.18Å; K112-M116 PolarHBondContact O-N 2.77Å
113V96.4Very high92.6Very high2 Ų252 Ų521%0.01225%0.253CS..Hα-helixtrans-63-42.7171.6173.50000111.7I53 L65 L92 V95 V96 V109 K110 M111 M116 L117I53-V113 HydrophobicContact CG2-CG2 4.49Å; L65-V113 HydrophobicContact CD1-CG2 3.88Å; L65-V113 HydrophobicContact CD2-CG2 3.78Å; L65-V113 HydrophobicContact CG-CG2 4.49Å; L92-V113 HydrophobicContact CB-CG1 3.91Å; L92-V113 HydrophobicContact CD2-CG1 4.35Å; L92-V113 HydrophobicContact CD2-CG2 4.5Å; V95-V113 HydrophobicContact CG1-CG2 4.22Å; V96-V113 HydrophobicContact CG1-CB 3.71Å; V96-V113 HydrophobicContact CG1-CG1 3.54Å; V109-V113 WeakPolarHBondContact O-CG2 3.23Å; V109-V113 PolarHBondContact O-N 3.34Å; K110-V113 PolarHBondContact O-N 3.43Å; M111-V113 VanDerWaalsContact C-N 3.34Å; M111-V113 PolarHBondContact O-N 2.81Å; V113-M116 PolarHBondContact O-N 2.89Å; V113-L117 HydrophobicContact CG1-CD1 3.96Å; V113-L117 HydrophobicContact CG1-CG 4.44Å; V113-L117 WeakPolarHBondContact O-CB 3.35Å; V113-L117 VanDerWaalsContact O-CG 3.3Å; V113-L117 WeakPolarHBondContact O-CG 3.41Å; V113-L117 PolarHBondContact O-N 3.09Å
114I94.6Very high92.5Very high18 Ų1847 Ų479%0.09223%0.226CC..Hα-helixtrans-65.5-44.4177.9-68.6164.2000111V96 K110 M111 L117 Y118 Y134 V143 P147V96-I114 HydrophobicContact CG1-CD1 4.45Å; V96-I114 HydrophobicContact CG1-CG1 4.04Å; K110-I114 WeakPolarHBondContact O-CG1 3.5Å; K110-I114 PolarHBondContact O-N 2.78Å; M111-I114 PolarHBondContact O-N 3.37Å; M111-I114 VanDerWaalsContact O-N 3.12Å; I114-L117 PolarHBondContact O-N 3.02Å; I114-Y118 WeakPolarHBondContact O-CB 3.22Å; I114-Y118 PolarHBondContact O-N 3.28Å; I114-Y134 HydrophobicContact CG2-CE2 4.23Å; I114-V143 HydrophobicContact CD1-CG2 4.15Å; I114-V143 HydrophobicContact CG1-CG2 4.08Å; I114-V143 HydrophobicContact CG2-CG1 4.07Å; I114-V143 HydrophobicContact CG2-CG2 3.71Å; I114-P147 HydrophobicContact CG2-CG 4.17Å
115E93.4Very high92.2Very high65 Ų6541 Ų4130%0.30422%0.215SC..Hα-helixtrans-58.2-46.9175.2-175.6-155.6133.100111.9M111 K112 Y118 T119M111-E115 WeakPolarHBondContact O-CB 3.34Å; M111-E115 PolarHBondContact O-N 2.76Å; K112-E115 VanDerWaalsContact CD-OE2 3.24Å; K112-E115 WeakPolarHBondContact CD-OE2 3.48Å; K112-E115 IonicContact NZ-OE1 2.77Å; K112-E115 PolarHBondContact NZ-OE1 3.02Å; K112-E115 IonicContact NZ-OE2 2.76Å; K112-E115 PolarHBondContact O-N 3.11Å; E115-Y118 PolarHBondContact O-N 2.59Å; E115-T119 VanDerWaalsContact O-CB 3.32Å; E115-T119 WeakPolarHBondContact O-CB 3.29Å; E115-T119 PolarHBondContact O-N 2.87Å; E115-T119 PolarHBondContact O-OG1 2.88Å
116M94.3Very high91.8Very high5 Ų547.4 Ų47.43%0.02525%0.249CC..Hα-helixtrans-66-46.7178.3-71.5170.270.300111.6L65 L68 E69 K112 V113 Y118 T119 W120L65-M116 HydrophobicContact CB-SD 3.99Å; L65-M116 HydrophobicContact CD2-CE 4.33Å; L65-M116 HydrophobicContact CD2-SD 3.92Å; L65-M116 HydrophobicContact CG-SD 4.45Å; L65-M116 WeakPolarHBondContact O-CE 3.28Å; L68-M116 HydrophobicContact CB-CE 4.07Å; L68-M116 HydrophobicContact CD2-CE 3.91Å; L68-M116 HydrophobicContact CG-CE 3.79Å; E69-M116 HydrophobicContact CB-CE 3.95Å; K112-M116 HydrophobicContact CD-CG 4.25Å; K112-M116 HydrophobicContact CD-SD 4.21Å; K112-M116 HydrophobicContact CG-CG 4.48Å; K112-M116 HydrophobicContact CG-SD 3.93Å; K112-M116 WeakPolarHBondContact O-CB 3.47Å; K112-M116 WeakPolarHBondContact O-CG 3.18Å; K112-M116 PolarHBondContact O-N 2.77Å; V113-M116 PolarHBondContact O-N 2.89Å; M116-Y118 PolarHBondContact O-N 3.28Å; M116-T119 PolarHBondContact O-N 3.38Å; M116-W120 HydrophobicContact CB-CH2 4.24Å; M116-W120 HydrophobicContact CB-CZ2 3.94Å; M116-W120 HydrophobicContact CE-CH2 4.04Å; M116-W120 HydrophobicContact CE-CZ2 3.61Å; M116-W120 VanDerWaalsContact O-CD2 3.25Å; M116-W120 PolarHBondContact O-N 3.48Å
117L94.6Very high91.6Very high1 Ų147 Ų471%0.00524%0.242CC..Hα-helixtrans-57.8-47175.5-75171.1000111.6L89 L92 V113 I114 W120 T121 I130 Y134 L137L89-L117 HydrophobicContact CD2-CD2 3.95Å; L92-L117 HydrophobicContact CD1-CD2 4.09Å; L92-L117 HydrophobicContact CD1-CG 4.49Å; V113-L117 HydrophobicContact CG1-CD1 3.96Å; V113-L117 HydrophobicContact CG1-CG 4.44Å; V113-L117 WeakPolarHBondContact O-CB 3.35Å; V113-L117 VanDerWaalsContact O-CG 3.3Å; V113-L117 WeakPolarHBondContact O-CG 3.41Å; V113-L117 PolarHBondContact O-N 3.09Å; I114-L117 PolarHBondContact O-N 3.02Å; L117-W120 HydrophobicContact CD2-CE3 4.06Å; L117-W120 HydrophobicContact CD2-CZ3 4.06Å; L117-W120 PolarHBondContact O-N 2.93Å; L117-T121 WeakPolarHBondContact O-CG2 3.42Å; L117-T121 PolarHBondContact O-N 3.04Å; L117-I130 HydrophobicContact CD2-CG2 4.3Å; L117-Y134 HydrophobicContact CB-CD2 4.12Å; L117-L137 HydrophobicContact CD1-CD1 3.8Å
118Y92.7Very high91.5Very high59 Ų5943.7 Ų43.723%0.23123%0.232CC..Hα-helixtrans-61-48.2176.6178.8-118.3000111.8I114 E115 M116 W120 T121 V122 Y134 D146 P147 V149I114-Y118 WeakPolarHBondContact O-CB 3.22Å; I114-Y118 PolarHBondContact O-N 3.28Å; E115-Y118 PolarHBondContact O-N 2.59Å; M116-Y118 PolarHBondContact O-N 3.28Å; Y118-W120 PolarHBondContact O-N 2.89Å; Y118-T121 PolarHBondContact O-N 3.32Å; Y118-T121 PolarHBondContact O-OG1 2.93Å; Y118-V122 HydrophobicContact CE2-CG2 4.28Å; Y118-V122 PolarHBondContact O-N 3.26Å; Y118-Y134 AromaticContact CD2-CE1 3.76Å; Y118-Y134 HydrophobicContact CD2-CE1 3.76Å; Y118-Y134 HydrophobicContact CD2-CE2 4.21Å; Y118-Y134 AromaticContact CD2-CZ 3.58Å; Y118-Y134 HydrophobicContact CE2-CE1 4.49Å; Y118-Y134 HydrophobicContact CG-CE2 4.3Å; Y118-D146 HydrophobicContact CE2-CB 4.13Å; Y118-P147 HydrophobicContact CD1-CB 4.26Å; Y118-P147 HydrophobicContact CD1-CG 4.39Å; Y118-P147 WeakPolarHBondContact CE1-O 3.39Å; Y118-V149 HydrophobicContact CD1-CB 4.38Å; Y118-V149 HydrophobicContact CD1-CG2 3.64Å; Y118-V149 HydrophobicContact CE1-CB 4.24Å; Y118-V149 HydrophobicContact CE1-CG2 3.95Å
119T91.1Very high91.6Very high14 Ų1442.7 Ų42.79%0.08623%0.228CC..Hα-helixtrans-55.5-37.5176.8-58.80000111.5E115 M116 V122 S123 V149E115-T119 VanDerWaalsContact O-CB 3.32Å; E115-T119 WeakPolarHBondContact O-CB 3.29Å; E115-T119 PolarHBondContact O-N 2.87Å; E115-T119 PolarHBondContact O-OG1 2.88Å; M116-T119 PolarHBondContact O-N 3.38Å; T119-V122 PolarHBondContact O-N 3.3Å; T119-S123 VanDerWaalsContact O-CB 3.3Å; T119-S123 WeakPolarHBondContact O-CB 3.46Å; T119-S123 PolarHBondContact O-N 3.21Å; T119-S123 PolarHBondContact O-OG 3.43Å; T119-V149 HydrophobicContact CG2-CG1 4.46Å
120W93.1Very high91.6Very high4 Ų442.7 Ų42.72%0.01523%0.228CC..Hα-helixtrans-72.8-33.7175.7-58.1-19.5000113.3L68 M72 V83 L92 M116 L117 Y118 V122 S123 L124 I130 L155L68-W120 HydrophobicContact CD1-CH2 4.4Å; L68-W120 HydrophobicContact CD2-CH2 3.82Å; L68-W120 HydrophobicContact CD2-CZ2 4.43Å; L68-W120 HydrophobicContact CG-CH2 4.04Å; L68-W120 HydrophobicContact CG-CZ2 4.22Å; M72-W120 HydrophobicContact CE-CD2 3.84Å; M72-W120 HydrophobicContact CE-CE3 4.4Å; M72-W120 HydrophobicContact CE-CG 4.05Å; M72-W120 HydrophobicContact CE-CZ2 4.24Å; M72-W120 HydrophobicContact CG-CZ2 3.73Å; V83-W120 HydrophobicContact CG1-CE3 4.17Å; V83-W120 HydrophobicContact CG1-CH2 4.15Å; V83-W120 HydrophobicContact CG1-CZ3 3.79Å; L92-W120 HydrophobicContact CD1-CH2 4.31Å; L92-W120 HydrophobicContact CD1-CZ3 3.93Å; M116-W120 HydrophobicContact CB-CH2 4.24Å; M116-W120 HydrophobicContact CB-CZ2 3.94Å; M116-W120 HydrophobicContact CE-CH2 4.04Å; M116-W120 HydrophobicContact CE-CZ2 3.61Å; M116-W120 VanDerWaalsContact O-CD2 3.25Å; M116-W120 PolarHBondContact O-N 3.48Å; L117-W120 HydrophobicContact CD2-CE3 4.06Å; L117-W120 HydrophobicContact CD2-CZ3 4.06Å; L117-W120 PolarHBondContact O-N 2.93Å; Y118-W120 PolarHBondContact O-N 2.89Å; W120-V122 PolarHBondContact O-N 2.95Å; W120-S123 PolarHBondContact O-N 2.81Å; W120-L124 WeakPolarHBondContact O-CA 3.36Å; W120-L124 PolarHBondContact O-N 2.93Å; W120-I130 HydrophobicContact CB-CD1 4.18Å; W120-I130 HydrophobicContact CB-CG2 3.82Å; W120-I130 HydrophobicContact CE3-CG2 4.38Å; W120-L155 HydrophobicContact CG-CD1 4.39Å
121T91.4Very high91.5Very high24 Ų2442.7 Ų42.715%0.14723%0.232CC..Hα-helixtrans-60.9-28.617269.20000113.3L117 Y118 I130 C131 Y134L117-T121 WeakPolarHBondContact O-CG2 3.42Å; L117-T121 PolarHBondContact O-N 3.04Å; Y118-T121 PolarHBondContact O-N 3.32Å; Y118-T121 PolarHBondContact O-OG1 2.93Å; T121-I130 HydrophobicContact CG2-CG2 4.26Å; T121-C131 HydrophobicContact CG2-CB 4.32Å; T121-Y134 HydrophobicContact CG2-CD1 4.25Å; T121-Y134 HydrophobicContact CG2-CG 4.03Å
122V88.7Confident91.5Very high73 Ų7342.4 Ų42.444%0.44223%0.229SC..Hα-helixtrans-88.4-38.1178.1-179.10000111.9Y118 T119 W120Y118-V122 HydrophobicContact CE2-CG2 4.28Å; Y118-V122 PolarHBondContact O-N 3.26Å; T119-V122 PolarHBondContact O-N 3.3Å; W120-V122 PolarHBondContact O-N 2.95Å
123S82.5Confident91.5Very high9 Ų940.9 Ų40.96%0.06322%0.223CC..Hα-helixtrans-94.4-18.1-172.959.60000115.7T119 W120 P125 T154 L155T119-S123 VanDerWaalsContact O-CB 3.3Å; T119-S123 WeakPolarHBondContact O-CB 3.46Å; T119-S123 PolarHBondContact O-N 3.21Å; T119-S123 PolarHBondContact O-OG 3.43Å; W120-S123 PolarHBondContact O-N 2.81Å; S123-P125 VanDerWaalsContact C-CD 3.47Å; S123-T154 VanDerWaalsContact CB-CG2 3.46Å; S123-L155 VanDerWaalsContact CB-N 3.3Å
124L86.3Confident91.4Very high27 Ų2740.8 Ų40.814%0.14122%0.222CC..  trans-12962.4177.2-62.5175000110.3M72 H80 W120 D126 E127 L155M72-L124 HydrophobicContact CE-CD1 3.42Å; M72-L124 VanDerWaalsContact CE-CD1 3.42Å; H80-L124 HydrophobicContact CB-CD1 4.46Å; W120-L124 WeakPolarHBondContact O-CA 3.36Å; W120-L124 PolarHBondContact O-N 2.93Å; L124-D126 PolarHBondContact O-N 3.02Å; L124-D126 VanDerWaalsContact O-N 3.13Å; L124-E127 HydrophobicContact CB-CB 4.38Å; L124-E127 PolarHBondContact O-N 3.22Å; L124-L155 HydrophobicContact CD1-CD1 3.82Å; L124-L155 HydrophobicContact CG-CD1 4.11Å
125P84.7Confident91.4Very high90 Ų9045 Ų4558%0.58424%0.241SC*.THydrogen-bonded Turntrans-62.6-21.8-174.927-36.4000114S123 E127S123-P125 VanDerWaalsContact C-CD 3.47Å; P125-E127 VanDerWaalsContact C-N 3.28Å; P125-E127 PolarHBondContact O-N 3.12Å
126D84.7Confident91.4Very high151 Ų15145.1 Ų45.181%0.80724%0.243SC*.THydrogen-bonded Turntrans-68.4-25.1174.8-64.8-25.4000112.7L124 A128L124-D126 PolarHBondContact O-N 3.02Å; L124-D126 VanDerWaalsContact O-N 3.13Å; D126-A128 VanDerWaalsContact C-N 3.29Å; D126-A128 PolarHBondContact O-N 3.3Å
127E89.8Confident91.3Very high30 Ų3044.9 Ų44.914%0.1424%0.242CC..  trans-86.464.4-178.2-78.4-68.4177.400111.8L124 P125 K129 I130L124-E127 HydrophobicContact CB-CB 4.38Å; L124-E127 PolarHBondContact O-N 3.22Å; P125-E127 VanDerWaalsContact C-N 3.28Å; P125-E127 PolarHBondContact O-N 3.12Å; E127-K129 PolarHBondContact O-N 3.29Å; E127-I130 HydrophobicContact CB-CD1 3.67Å; E127-I130 HydrophobicContact CB-CG1 3.97Å; E127-I130 HydrophobicContact CG-CD1 4.33Å; E127-I130 WeakPolarHBondContact O-CB 3.45Å; E127-I130 PolarHBondContact O-N 2.67Å
128A90.2Very high91.2Very high52 Ų5248.2 Ų48.243%0.4326%0.256SS..Hα-helixtrans-47.6-31-174.600000115.1D126 I130 C131 E132D126-A128 VanDerWaalsContact C-N 3.29Å; D126-A128 PolarHBondContact O-N 3.3Å; A128-I130 VanDerWaalsContact C-N 3.31Å; A128-I130 PolarHBondContact O-N 3.19Å; A128-C131 WeakPolarHBondContact O-CB 3.13Å; A128-C131 PolarHBondContact O-N 3.36Å; A128-C131 VanDerWaalsContact O-N 3.15Å; A128-E132 WeakPolarHBondContact O-CG 3.47Å; A128-E132 PolarHBondContact O-N 3.01Å
129K95.4Very high91.2Very high85 Ų8550.1 Ų50.137%0.3728%0.278SS..Hα-helixtrans-66.2-29.6178.4-57.7-172.9-160.577.20113.3G84 F86 L89 E127 A133G84-K129 VanDerWaalsContact O-CB 3.29Å; G84-K129 WeakPolarHBondContact O-CB 3.28Å; G84-K129 WeakPolarHBondContact O-CD 3.35Å; F86-K129 HydrophobicContact CD2-CD 3.87Å; F86-K129 HydrophobicContact CD2-CG 4.44Å; F86-K129 HydrophobicContact CE1-CB 4.1Å; F86-K129 HydrophobicContact CE2-CB 4.09Å; F86-K129 HydrophobicContact CE2-CD 3.74Å; F86-K129 HydrophobicContact CE2-CG 3.85Å; F86-K129 HydrophobicContact CZ-CB 3.8Å; F86-K129 HydrophobicContact CZ-CD 4.33Å; F86-K129 HydrophobicContact CZ-CG 4.01Å; L89-K129 HydrophobicContact CD1-CB 4.14Å; L89-K129 WeakPolarHBondContact CD1-O 3.47Å; E127-K129 PolarHBondContact O-N 3.29Å; K129-A133 VanDerWaalsContact O-CB 3.31Å; K129-A133 WeakPolarHBondContact O-CB 3.36Å; K129-A133 PolarHBondContact O-N 2.98Å
130I95.3Very high91.2Very high1 Ų153.3 Ų53.31%0.00529%0.292CS..Hα-helixtrans-68-43.1173.2-55.7-179.5000109.1L89 L117 W120 T121 E127 A128 A133 Y134L89-I130 HydrophobicContact CD1-CG1 4.1Å; L89-I130 HydrophobicContact CD2-CG1 4.19Å; L117-I130 HydrophobicContact CD2-CG2 4.3Å; W120-I130 HydrophobicContact CB-CD1 4.18Å; W120-I130 HydrophobicContact CB-CG2 3.82Å; W120-I130 HydrophobicContact CE3-CG2 4.38Å; T121-I130 HydrophobicContact CG2-CG2 4.26Å; E127-I130 HydrophobicContact CB-CD1 3.67Å; E127-I130 HydrophobicContact CB-CG1 3.97Å; E127-I130 HydrophobicContact CG-CD1 4.33Å; E127-I130 WeakPolarHBondContact O-CB 3.45Å; E127-I130 PolarHBondContact O-N 2.67Å; A128-I130 VanDerWaalsContact C-N 3.31Å; A128-I130 PolarHBondContact O-N 3.19Å; I130-A133 PolarHBondContact O-N 2.98Å; I130-Y134 WeakPolarHBondContact O-CB 3.28Å; I130-Y134 PolarHBondContact O-N 2.87Å
131C92.7Very high90.9Very high36 Ų3655.5 Ų55.524%0.24332%0.316CS..Hα-helixtrans-63.4-45.4174.4-59.20000111.8T121 A128 A133 Y134 Q135T121-C131 HydrophobicContact CG2-CB 4.32Å; A128-C131 WeakPolarHBondContact O-CB 3.13Å; A128-C131 PolarHBondContact O-N 3.36Å; A128-C131 VanDerWaalsContact O-N 3.15Å; C131-A133 PolarHBondContact O-N 3.12Å; C131-Y134 PolarHBondContact O-N 2.95Å; C131-Q135 WeakPolarHBondContact O-CB 3.43Å; C131-Q135 VanDerWaalsContact O-CG 3.28Å; C131-Q135 WeakPolarHBondContact O-CG 3.06Å; C131-Q135 PolarHBondContact O-N 3.26Å
132E94.8Very high90.7Very high111 Ų11156.1 Ų56.152%0.51932%0.318SS..Hα-helixtrans-57.4-46.4173.8-72.5170.8-141.200111.8F86 A128 M136F86-E132 HydrophobicContact CZ-CB 4.29Å; F86-E132 WeakPolarHBondContact CZ-OE2 3.22Å; A128-E132 WeakPolarHBondContact O-CG 3.47Å; A128-E132 PolarHBondContact O-N 3.01Å; E132-M136 VanDerWaalsContact O-CB 3.27Å; E132-M136 WeakPolarHBondContact O-CB 3.43Å; E132-M136 PolarHBondContact O-N 3.38Å
133A95.3Very high90.6Very high2 Ų253 Ų532%0.01730%0.299CS..Hα-helixtrans-61.8-45.1177.500000112.5L89 I93 K129 I130 C131 M136 L137L89-A133 HydrophobicContact CB-CB 4.39Å; L89-A133 HydrophobicContact CD1-CB 4.15Å; I93-A133 HydrophobicContact CD1-CB 4.1Å; K129-A133 VanDerWaalsContact O-CB 3.31Å; K129-A133 WeakPolarHBondContact O-CB 3.36Å; K129-A133 PolarHBondContact O-N 2.98Å; I130-A133 PolarHBondContact O-N 2.98Å; C131-A133 PolarHBondContact O-N 3.12Å; A133-M136 PolarHBondContact O-N 3.47Å; A133-L137 WeakPolarHBondContact O-CG 3.31Å; A133-L137 PolarHBondContact O-N 2.88Å; A133-L137 VanDerWaalsContact O-N 3.09Å
134Y94.9Very high90.4Very high0 Ų058.5 Ų58.50%033%0.332CS..Hα-helixtrans-66.1-46.9178.4-177.4-98.1000112.2I114 L117 Y118 T121 I130 C131 M136 L137 K138 V143 D146I114-Y134 HydrophobicContact CG2-CE2 4.23Å; L117-Y134 HydrophobicContact CB-CD2 4.12Å; Y118-Y134 AromaticContact CD2-CE1 3.76Å; Y118-Y134 HydrophobicContact CD2-CE1 3.76Å; Y118-Y134 HydrophobicContact CD2-CE2 4.21Å; Y118-Y134 AromaticContact CD2-CZ 3.58Å; Y118-Y134 HydrophobicContact CE2-CE1 4.49Å; Y118-Y134 HydrophobicContact CG-CE2 4.3Å; T121-Y134 HydrophobicContact CG2-CD1 4.25Å; T121-Y134 HydrophobicContact CG2-CG 4.03Å; I130-Y134 WeakPolarHBondContact O-CB 3.28Å; I130-Y134 PolarHBondContact O-N 2.87Å; C131-Y134 PolarHBondContact O-N 2.95Å; Y134-M136 VanDerWaalsContact C-N 3.28Å; Y134-M136 PolarHBondContact O-N 2.9Å; Y134-L137 PolarHBondContact O-N 3.26Å; Y134-L137 VanDerWaalsContact O-N 3.14Å; Y134-K138 PolarHBondContact O-N 3.04Å; Y134-V143 HydrophobicContact CE2-CG1 4.29Å; Y134-V143 HydrophobicContact CE2-CG2 4.27Å; Y134-D146 WeakPolarHBondContact CE1-OD1 3.46Å; Y134-D146 PolarHBondContact OH-OD1 3.19Å
135Q93.2Very high90Very high105 Ų10562.7 Ų62.749%0.49136%0.358SS..Hα-helixtrans-65.3-32.4177.4-63.6-59.7-2100111.9C131 K138 S139C131-Q135 WeakPolarHBondContact O-CB 3.43Å; C131-Q135 VanDerWaalsContact O-CG 3.28Å; C131-Q135 WeakPolarHBondContact O-CG 3.06Å; C131-Q135 PolarHBondContact O-N 3.26Å; Q135-K138 PolarHBondContact O-N 3.49Å; Q135-S139 WeakPolarHBondContact O-CB 3.23Å; Q135-S139 PolarHBondContact O-N 2.93Å; Q135-S139 PolarHBondContact O-OG 3.44Å
136M93.6Very high89.8Confident68 Ų6861 Ų6134%0.33535%0.345SS..Hα-helixtrans-61.5-48.2170.6-176.5-16663.900111.3I93 E132 A133 Y134 K138 S139 Q140I93-M136 HydrophobicContact CD1-CE 3.63Å; I93-M136 HydrophobicContact CG1-CE 4.09Å; I93-M136 HydrophobicContact CG2-CE 4.02Å; E132-M136 VanDerWaalsContact O-CB 3.27Å; E132-M136 WeakPolarHBondContact O-CB 3.43Å; E132-M136 PolarHBondContact O-N 3.38Å; A133-M136 PolarHBondContact O-N 3.47Å; Y134-M136 VanDerWaalsContact C-N 3.28Å; Y134-M136 PolarHBondContact O-N 2.9Å; M136-K138 VanDerWaalsContact C-N 3.3Å; M136-K138 PolarHBondContact O-N 3.39Å; M136-S139 PolarHBondContact O-N 2.81Å; M136-S139 PolarHBondContact O-OG 2.92Å; M136-Q140 WeakPolarHBondContact O-CG 3.32Å; M136-Q140 PolarHBondContact O-N 3.35Å
137L93.6Very high89.6Confident1 Ų155.2 Ų55.21%0.00532%0.315CS..Hα-helixtrans-60.4-40177.7-68.5170.1000112I93 V96 L117 A133 Y134 Q140 G141 I142 V143I93-L137 HydrophobicContact CG1-CD1 4.44Å; I93-L137 HydrophobicContact CG1-CD2 4.34Å; I93-L137 HydrophobicContact CG2-CD2 4.31Å; V96-L137 HydrophobicContact CG2-CD1 3.89Å; V96-L137 HydrophobicContact CG2-CD2 3.61Å; V96-L137 HydrophobicContact CG2-CG 4.41Å; L117-L137 HydrophobicContact CD1-CD1 3.8Å; A133-L137 WeakPolarHBondContact O-CG 3.31Å; A133-L137 PolarHBondContact O-N 2.88Å; A133-L137 VanDerWaalsContact O-N 3.09Å; Y134-L137 PolarHBondContact O-N 3.26Å; Y134-L137 VanDerWaalsContact O-N 3.14Å; L137-Q140 PolarHBondContact O-N 3.16Å; L137-G141 PolarHBondContact O-N 3.02Å; L137-I142 HydrophobicContact CB-CB 4.45Å; L137-I142 HydrophobicContact CD2-CB 4.39Å; L137-I142 HydrophobicContact CD2-CD1 3.72Å; L137-I142 HydrophobicContact CD2-CG2 4.29Å; L137-I142 WeakPolarHBondContact O-CB 3.31Å; L137-I142 PolarHBondContact O-N 3.12Å; L137-V143 HydrophobicContact CB-CG2 4.01Å; L137-V143 PolarHBondContact O-N 3.42Å
138K92.2Very high88.4Confident70 Ų7063.5 Ų63.530%0.30435%0.354SS..Hα-helixtrans-63.3-47.7174.4-166.3172-172.3169.10112.6Y134 Q135 M136 Q140 G141 V143 D146Y134-K138 PolarHBondContact O-N 3.04Å; Q135-K138 PolarHBondContact O-N 3.49Å; M136-K138 VanDerWaalsContact C-N 3.3Å; M136-K138 PolarHBondContact O-N 3.39Å; K138-Q140 PolarHBondContact O-N 3.41Å; K138-G141 PolarHBondContact O-N 3.35Å; K138-V143 HydrophobicContact CB-CB 4.31Å; K138-D146 IonicContact NZ-OD1 2.91Å; K138-D146 PolarHBondContact NZ-OD1 3.04Å; K138-D146 IonicContact NZ-OD2 2.7Å; K138-D146 PolarHBondContact NZ-OD2 3.44Å
139S91.6Very high86.9Confident99 Ų9963.1 Ų63.169%0.69235%0.346SS*.Hα-helixtrans-63.5-24.7176.5720000114.1Q135 M136 G141Q135-S139 WeakPolarHBondContact O-CB 3.23Å; Q135-S139 PolarHBondContact O-N 2.93Å; Q135-S139 PolarHBondContact O-OG 3.44Å; M136-S139 PolarHBondContact O-N 2.81Å; M136-S139 PolarHBondContact O-OG 2.92Å; S139-G141 VanDerWaalsContact C-N 3.3Å
140Q90.9Very high84.5Confident81 Ų8162.8 Ų62.838%0.37935%0.354SS..THydrogen-bonded Turntrans-85.61.3174.2-71.1-172.351.900113.2M136 L137 K138 I142M136-Q140 WeakPolarHBondContact O-CG 3.32Å; M136-Q140 PolarHBondContact O-N 3.35Å; L137-Q140 PolarHBondContact O-N 3.16Å; K138-Q140 PolarHBondContact O-N 3.41Å; Q140-I142 HydrophobicContact CB-CD1 4Å; Q140-I142 HydrophobicContact CB-CG1 4.19Å; Q140-I142 PolarHBondContact O-N 3.23Å
141G86.7Confident82.2Confident50 Ų5069.8 Ų69.852%0.51539%0.391SS..THydrogen-bonded Turntrans71.512.9-17800000114.5L137 K138 S139L137-G141 PolarHBondContact O-N 3.02Å; K138-G141 PolarHBondContact O-N 3.35Å; S139-G141 VanDerWaalsContact C-N 3.3Å
142I87.7Confident79.9Confident38 Ų3875.9 Ų75.920%0.19542%0.421CS..SBendtrans-76.8-32.9176.5-60.3165.1000109.8V96 L137 Q140V96-I142 HydrophobicContact CB-CG2 4.31Å; V96-I142 HydrophobicContact CG2-CG2 4.33Å; L137-I142 HydrophobicContact CB-CB 4.45Å; L137-I142 HydrophobicContact CD2-CB 4.39Å; L137-I142 HydrophobicContact CD2-CD1 3.72Å; L137-I142 HydrophobicContact CD2-CG2 4.29Å; L137-I142 WeakPolarHBondContact O-CB 3.31Å; L137-I142 PolarHBondContact O-N 3.12Å; Q140-I142 HydrophobicContact CB-CD1 4Å; Q140-I142 HydrophobicContact CB-CG1 4.19Å; Q140-I142 PolarHBondContact O-N 3.23Å
143V85.9Confident77.6Confident7 Ų772.4 Ų72.44%0.04241%0.411CS..  trans-108.4111.3168.9-174.90000108.4I114 Y134 L137 K138 V145I114-V143 HydrophobicContact CD1-CG2 4.15Å; I114-V143 HydrophobicContact CG1-CG2 4.08Å; I114-V143 HydrophobicContact CG2-CG1 4.07Å; I114-V143 HydrophobicContact CG2-CG2 3.71Å; Y134-V143 HydrophobicContact CE2-CG1 4.29Å; Y134-V143 HydrophobicContact CE2-CG2 4.27Å; L137-V143 HydrophobicContact CB-CG2 4.01Å; L137-V143 PolarHBondContact O-N 3.42Å; K138-V143 HydrophobicContact CB-CB 4.31Å; V143-V145 WeakPolarHBondContact CG1-O 3.46Å
144V78.3Confident75.2Confident125 Ų12573.8 Ų73.876%0.75842%0.419SS*.SBendtrans-92.7-32.6-176.9-177.10000112
145V79.9Confident73.1Confident115 Ų11574.8 Ų74.870%0.69743%0.425SS*.SBendtrans-136.5140.4178.4-175.20000107.6V143V143-V145 WeakPolarHBondContact CG1-O 3.46Å
146D80.3Confident70.7Confident55 Ų5575 Ų7529%0.29443%0.428SS..  trans-73.8134.9174.1-56.2-63.1000110.1Y118 Y134 K138Y118-D146 HydrophobicContact CE2-CB 4.13Å; Y134-D146 WeakPolarHBondContact CE1-OD1 3.46Å; Y134-D146 PolarHBondContact OH-OD1 3.19Å; K138-D146 IonicContact NZ-OD1 2.91Å; K138-D146 PolarHBondContact NZ-OD1 3.04Å; K138-D146 IonicContact NZ-OD2 2.7Å; K138-D146 PolarHBondContact NZ-OD2 3.44Å
147P80.2Confident67.9Low28 Ų2877.3 Ų77.318%0.18245%0.448CS..  trans-62.5139.9-179.8-25.235.4000113.9I114 Y118 V149I114-P147 HydrophobicContact CG2-CG 4.17Å; Y118-P147 HydrophobicContact CD1-CB 4.26Å; Y118-P147 HydrophobicContact CD1-CG 4.39Å; Y118-P147 WeakPolarHBondContact CE1-O 3.39Å; P147-V149 VanDerWaalsContact C-N 3.3Å; P147-V149 HydrophobicContact CB-CG2 4.28Å; P147-V149 PolarHBondContact O-N 2.82Å
148E63.8Low65.1Low205 Ų20581.7 Ų81.796%0.95848%0.479SS*.  trans-74.478.1173.3-69.2-168.4165.600111.6S150E148-S150 PolarHBondContact O-N 2.88Å
149V58.7Low62.5Low43 Ų4383.8 Ų83.826%0.26150%0.5SS..  trans-79.6116.6177.6177.10000110.5Y118 T119 P147 A153Y118-V149 HydrophobicContact CD1-CB 4.38Å; Y118-V149 HydrophobicContact CD1-CG2 3.64Å; Y118-V149 HydrophobicContact CE1-CB 4.24Å; Y118-V149 HydrophobicContact CE1-CG2 3.95Å; T119-V149 HydrophobicContact CG2-CG1 4.46Å; P147-V149 VanDerWaalsContact C-N 3.3Å; P147-V149 HydrophobicContact CB-CG2 4.28Å; P147-V149 PolarHBondContact O-N 2.82Å; V149-A153 HydrophobicContact CG1-CB 4.13Å
150S46.1Very low59.8Low78 Ų7883.5 Ų83.555%0.54550%0.498SS..  trans-67.7139.3170.777.80000111.3E148 N152 A153E148-S150 PolarHBondContact O-N 2.88Å; S150-N152 PolarHBondContact O-N 3.47Å; S150-A153 PolarHBondContact O-N 2.92Å
151L46.9Very low57.3Low148 Ų14885.2 Ų85.278%0.77552%0.516SS*.G310 helixtrans-63.4-5.2-174.3-68.9165.6000115A153 T154L151-A153 VanDerWaalsContact C-N 3.32Å; L151-T154 PolarHBondContact O-OG1 2.88Å
152N43.8Very low55.2Low165 Ų16593.1 Ų93.188%0.88253%0.53SS*.G310 helixtrans-80.8-8.8173-67.7-33.1000113.4S150S150-N152 PolarHBondContact O-N 3.47Å
153A46.5Very low53.1Low38 Ų3897 Ų9731%0.31456%0.558SS.*G310 helixtrans-96.4-4179.800000114.3V149 S150 L151V149-A153 HydrophobicContact CG1-CB 4.13Å; S150-A153 PolarHBondContact O-N 2.92Å; L151-A153 VanDerWaalsContact C-N 3.32Å
154T45.7Very low51Low30 Ų30106.5 Ų106.518%0.18460%0.599CS.*  trans-65.7135.9-174.8-50.10000111.8S123 L151 I156S123-T154 VanDerWaalsContact CB-CG2 3.46Å; L151-T154 PolarHBondContact O-OG1 2.88Å; T154-I156 HydrophobicContact CG2-CB 4.27Å; T154-I156 HydrophobicContact CG2-CD1 3.84Å; T154-I156 HydrophobicContact CG2-CG1 3.86Å; T154-I156 PolarHBondContact O-N 2.89Å
155L49Very low49.3Very low22 Ų22103.4 Ų103.412%0.11558%0.578CS.*SBendtrans-66.81.1179.3-62.9179.6000115.6M72 K73 W120 S123 L124 P157M72-L155 HydrophobicContact CB-CD1 3.91Å; M72-L155 HydrophobicContact CB-CD2 4.04Å; M72-L155 HydrophobicContact CE-CD1 3.9Å; K73-L155 HydrophobicContact CG-CD2 3.52Å; W120-L155 HydrophobicContact CG-CD1 4.39Å; S123-L155 VanDerWaalsContact CB-N 3.3Å; L124-L155 HydrophobicContact CD1-CD1 3.82Å; L124-L155 HydrophobicContact CG-CD1 4.11Å; L155-P157 WeakPolarHBondContact O-CD 3.28Å
156I44Very low47.9Very low109 Ų109101.7 Ų101.756%0.55957%0.569SS**SBendtrans-65.6125.2168.9-62.8170000106.6T154 S158T154-I156 HydrophobicContact CG2-CB 4.27Å; T154-I156 HydrophobicContact CG2-CD1 3.84Å; T154-I156 HydrophobicContact CG2-CG1 3.86Å; T154-I156 PolarHBondContact O-N 2.89Å; I156-S158 PolarHBondContact O-N 3.29Å
157P34.3Very low46.3Very low117 Ų11799.8 Ų99.876%0.7656%0.559SS**  trans-60.6104167.2-17.831.2000107.3L155 P159L155-P157 WeakPolarHBondContact O-CD 3.28Å; P157-P159 VanDerWaalsContact O-N 3.11Å
158S35.8Very low44.7Very low93 Ų93104.6 Ų104.665%0.6558%0.578SS**PPolyproline II helixtrans-53122.4170-173.90000106.2I156 S160I156-S158 PolarHBondContact O-N 3.29Å; S158-S160 PolarHBondContact O-N 3.24Å
159P37.3Very low44.1Very low114 Ų114101.6 Ų101.674%0.7457%0.568SS**PPolyproline II helixtrans-55.3118.2-175.922.9-32.9000106.6P157P157-P159 VanDerWaalsContact O-N 3.11Å
160S34.1Very low44.4Very low93 Ų93102.3 Ų102.365%0.6557%0.57SS**PPolyproline II helixtrans-46.2130-157.654.50000109.8S158 R162S158-S160 PolarHBondContact O-N 3.24Å; S160-R162 VanDerWaalsContact C-N 3.32Å; S160-R162 WeakPolarHBondContact O-CA 3.47Å; S160-R162 PolarHBondContact O-N 3.01Å
161P38.5Very low45.7Very low117 Ų117104 Ų10476%0.7657%0.569SS**  trans-56.9100.5-167.522-33.2000108
162R42.9Very low47.3Very low216 Ų216105 Ų10582%0.81557%0.568SS**  trans-54.6129.4-166.3-82.7-178.2-80.4173.9-5106.7S160 K164S160-R162 VanDerWaalsContact C-N 3.32Å; S160-R162 WeakPolarHBondContact O-CA 3.47Å; S160-R162 PolarHBondContact O-N 3.01Å; R162-K164 PolarHBondContact O-N 3.29Å
163P43.8Very low49.1Very low119 Ų11999.9 Ų99.977%0.77354%0.538SS*.  trans-47118.8-167.918.2-32.2000108N165P163-N165 VanDerWaalsContact C-N 3.34Å; P163-N165 WeakPolarHBondContact O-CA 3.37Å; P163-N165 PolarHBondContact O-N 2.87Å
164K41Very low50.6Low207 Ų20799.7 Ų99.790%0.953%0.534SS*.  trans-57.396.9-159.4-77.7-174.6178-179.20109.7R162R162-K164 PolarHBondContact O-N 3.29Å
165N42.6Very low52.6Low60 Ų60103.5 Ų103.532%0.32155%0.548SS..  trans-85.1124.2-167.7-151.7-9000108.2P163 V167 F168 D203P163-N165 VanDerWaalsContact C-N 3.34Å; P163-N165 WeakPolarHBondContact O-CA 3.37Å; P163-N165 PolarHBondContact O-N 2.87Å; N165-V167 HydrophobicContact CB-CG2 4.23Å; N165-V167 PolarHBondContact O-N 3.31Å; N165-F168 PolarHBondContact O-N 3.25Å; N165-F168 VanDerWaalsContact O-N 3.16Å; N165-D203 PolarHBondContact ND2-OD1 2.93Å; N165-D203 PolarHBondContact ND2-OD2 3.1Å; N165-D203 PolarHBondContact OD1-OD1 3.26Å
166P50.2Low54.4Low78 Ų78108.5 Ų108.551%0.50657%0.565SS.*G310 helixtrans-56.3-14.9-175.1-28.536.7000114.8F168 D169P166-F168 PolarHBondContact O-N 3.16Å; P166-D169 PolarHBondContact O-N 3.02Å
167V46.7Very low56.5Low15 Ų15104.7 Ų104.79%0.09155%0.546CS..G310 helixtrans-43-28167.4-172.30000114.2N165 M199 D203N165-V167 HydrophobicContact CB-CG2 4.23Å; N165-V167 PolarHBondContact O-N 3.31Å; V167-M199 HydrophobicContact CG1-CE 3.76Å; V167-D203 HydrophobicContact CG2-CB 3.72Å; V167-D203 WeakPolarHBondContact CG2-OD1 3.49Å
168F47.2Very low59Low130 Ų130101.9 Ų101.957%0.5753%0.533SS*.G310 helixtrans-81.7-7.3-179.7-85.7-74.8000116.2N165 P166 D170 S174N165-F168 PolarHBondContact O-N 3.25Å; N165-F168 VanDerWaalsContact O-N 3.16Å; P166-F168 PolarHBondContact O-N 3.16Å; F168-D170 PolarHBondContact O-N 2.91Å; F168-S174 WeakPolarHBondContact CE1-OG 3.2Å
169D51.8Low61.6Low141 Ų141104.1 Ų104.175%0.75453%0.533SS*.G310 helixtrans-69.5-20.8176.4-71.7-40000113P166 E171P166-D169 PolarHBondContact O-N 3.02Å; D169-E171 PolarHBondContact O-N 2.94Å
170D64.8Low64.1Low58 Ų5899.6 Ų99.631%0.3150%0.502SS..  trans-76.572.1162.8-162.1-29.8000110.3F168 K172 K173 S174F168-D170 PolarHBondContact O-N 2.91Å; D170-K172 PolarHBondContact O-N 2.98Å; D170-K172 WeakPolarHBondContact OD1-CB 3.31Å; D170-K172 PolarHBondContact OD1-N 3.3Å; D170-K173 HydrophobicContact CB-CB 4.13Å; D170-K173 HydrophobicContact CB-CD 3.9Å; D170-K173 HydrophobicContact CB-CG 4.15Å; D170-K173 VanDerWaalsContact CG-CG 3.45Å; D170-K173 PolarHBondContact O-N 2.81Å; D170-K173 PolarHBondContact OD1-N 2.97Å; D170-K173 WeakPolarHBondContact OD2-CD 3.41Å; D170-K173 WeakPolarHBondContact OD2-CE 3.49Å; D170-K173 VanDerWaalsContact OD2-CG 3.32Å; D170-K173 WeakPolarHBondContact OD2-CG 3.29Å; D170-K173 IonicContact OD2-NZ 2.91Å; D170-K173 PolarHBondContact OD2-NZ 3.24Å; D170-S174 PolarHBondContact O-N 3.45Å
171E74.2Confident66.7Low113 Ų11399.4 Ų99.453%0.52849%0.494SS..Hα-helixtrans-54.3-25.7-179.8-155.9-150.3-168.100111.8D169 K175D169-E171 PolarHBondContact O-N 2.94Å; E171-K175 HydrophobicContact CG-CD 4.35Å; E171-K175 WeakPolarHBondContact O-CB 3.22Å; E171-K175 WeakPolarHBondContact O-CD 3.2Å; E171-K175 WeakPolarHBondContact O-CG 3.46Å; E171-K175 PolarHBondContact O-N 2.97Å; E171-K175 WeakPolarHBondContact OE1-CE 3.28Å; E171-K175 IonicContact OE1-NZ 2.76Å; E171-K175 PolarHBondContact OE1-NZ 2.91Å; E171-K175 WeakPolarHBondContact OE2-CE 3.41Å; E171-K175 IonicContact OE2-NZ 3.37Å; E171-K175 PolarHBondContact OE2-NZ 3.44Å
172K80.4Confident69.1Low170 Ų170102.5 Ų102.574%0.73950%0.495SS*.Hα-helixtrans-74.9-47.1177.7-58.6166-174163.60111.4D170 S174 R176D170-K172 PolarHBondContact O-N 2.98Å; D170-K172 WeakPolarHBondContact OD1-CB 3.31Å; D170-K172 PolarHBondContact OD1-N 3.3Å; K172-S174 VanDerWaalsContact C-N 3.31Å; K172-S174 PolarHBondContact O-N 3.49Å; K172-R176 WeakPolarHBondContact O-CB 3.34Å; K172-R176 PolarHBondContact O-N 2.9Å
173K80.8Confident71.3Confident58 Ų5893.8 Ų93.825%0.25247%0.467SS..Hα-helixtrans-57.5-45.5171-75.6175.7-168.31620110.6D170 R176 L177 M199 E202D170-K173 HydrophobicContact CB-CB 4.13Å; D170-K173 HydrophobicContact CB-CD 3.9Å; D170-K173 HydrophobicContact CB-CG 4.15Å; D170-K173 VanDerWaalsContact CG-CG 3.45Å; D170-K173 PolarHBondContact O-N 2.81Å; D170-K173 PolarHBondContact OD1-N 2.97Å; D170-K173 WeakPolarHBondContact OD2-CD 3.41Å; D170-K173 WeakPolarHBondContact OD2-CE 3.49Å; D170-K173 VanDerWaalsContact OD2-CG 3.32Å; D170-K173 WeakPolarHBondContact OD2-CG 3.29Å; D170-K173 IonicContact OD2-NZ 2.91Å; D170-K173 PolarHBondContact OD2-NZ 3.24Å; K173-R176 PolarHBondContact O-N 3.36Å; K173-L177 WeakPolarHBondContact O-CB 3.41Å; K173-L177 PolarHBondContact O-N 3.13Å; K173-M199 HydrophobicContact CB-SD 4.44Å; K173-E202 VanDerWaalsContact NZ-CD 3.29Å; K173-E202 IonicContact NZ-OE1 3.87Å; K173-E202 PolarHBondContact NZ-OE1 3.48Å; K173-E202 IonicContact NZ-OE2 3.66Å; K173-E202 PolarHBondContact NZ-OE2 3.32Å
174S78.8Confident73.5Confident34 Ų3498 Ų9824%0.23847%0.474CS..Hα-helixtrans-59.7-52.1179-179.40000112.6F168 D170 K172 R176 L177 A178F168-S174 WeakPolarHBondContact CE1-OG 3.2Å; D170-S174 PolarHBondContact O-N 3.45Å; K172-S174 VanDerWaalsContact C-N 3.31Å; K172-S174 PolarHBondContact O-N 3.49Å; S174-R176 PolarHBondContact O-N 3.43Å; S174-L177 PolarHBondContact O-N 2.57Å; S174-A178 PolarHBondContact O-N 2.82Å
175K86.6Confident75.8Confident109 Ų10993.3 Ų93.347%0.47445%0.453SS..Hα-helixtrans-59-47177-76.5168.3179.31720112.1E171 L177 A178 E179E171-K175 HydrophobicContact CG-CD 4.35Å; E171-K175 WeakPolarHBondContact O-CB 3.22Å; E171-K175 WeakPolarHBondContact O-CD 3.2Å; E171-K175 WeakPolarHBondContact O-CG 3.46Å; E171-K175 PolarHBondContact O-N 2.97Å; E171-K175 WeakPolarHBondContact OE1-CE 3.28Å; E171-K175 IonicContact OE1-NZ 2.76Å; E171-K175 PolarHBondContact OE1-NZ 2.91Å; E171-K175 WeakPolarHBondContact OE2-CE 3.41Å; E171-K175 IonicContact OE2-NZ 3.37Å; E171-K175 PolarHBondContact OE2-NZ 3.44Å; K175-L177 VanDerWaalsContact C-N 3.34Å; K175-L177 PolarHBondContact O-N 2.85Å; K175-A178 PolarHBondContact O-N 2.89Å; K175-E179 PolarHBondContact O-N 3.29Å
176R86.6Confident77.9Confident127 Ų12795.4 Ų95.448%0.47947%0.47SS..Hα-helixtrans-61.4-40.6177.8-176.5174177.7165.4-0.5112.1K172 K173 S174 E179 L180 E191K172-R176 WeakPolarHBondContact O-CB 3.34Å; K172-R176 PolarHBondContact O-N 2.9Å; K173-R176 PolarHBondContact O-N 3.36Å; S174-R176 PolarHBondContact O-N 3.43Å; R176-E179 PolarHBondContact O-N 2.86Å; R176-L180 HydrophobicContact CG-CD1 3.94Å; R176-L180 HydrophobicContact CG-CG 4.32Å; R176-L180 WeakPolarHBondContact O-CB 3.5Å; R176-L180 VanDerWaalsContact O-CG 3.25Å; R176-L180 WeakPolarHBondContact O-CG 3.3Å; R176-L180 PolarHBondContact O-N 3.16Å; R176-E191 IonicContact CZ-OE1 3.66Å; R176-E191 IonicContact CZ-OE2 3.73Å; R176-E191 IonicContact NE-OE2 2.76Å; R176-E191 PolarHBondContact NE-OE2 3.41Å; R176-E191 IonicContact NH2-OE1 2.78Å; R176-E191 PolarHBondContact NH2-OE1 3.36Å; R176-E191 IonicContact NH2-OE2 2.62Å; R176-E191 PolarHBondContact NH2-OE2 3.03Å
177L88.3Confident79.9Confident29 Ų2998.2 Ų98.215%0.15248%0.476CS..Hα-helixtrans-62.7-42.5176.2-179.757.2000111.6K173 S174 K175 E179 L180 L181 A192 L195 I196 M199K173-L177 WeakPolarHBondContact O-CB 3.41Å; K173-L177 PolarHBondContact O-N 3.13Å; S174-L177 PolarHBondContact O-N 2.57Å; K175-L177 VanDerWaalsContact C-N 3.34Å; K175-L177 PolarHBondContact O-N 2.85Å; L177-E179 PolarHBondContact O-N 2.68Å; L177-L180 PolarHBondContact O-N 3.33Å; L177-L181 HydrophobicContact CD1-CD1 3.88Å; L177-L181 HydrophobicContact CD1-CG 3.99Å; L177-L181 HydrophobicContact CG-CD1 3.9Å; L177-L181 HydrophobicContact CG-CG 4.43Å; L177-L181 WeakPolarHBondContact O-CB 3.42Å; L177-L181 VanDerWaalsContact O-CG 3.3Å; L177-L181 WeakPolarHBondContact O-CG 3.28Å; L177-L181 PolarHBondContact O-N 3.11Å; L177-A192 HydrophobicContact CD1-CB 3.89Å; L177-L195 HydrophobicContact CB-CD2 3.8Å; L177-L195 HydrophobicContact CD1-CB 4.47Å; L177-L195 HydrophobicContact CD1-CD2 4.25Å; L177-L195 HydrophobicContact CD1-CG 4.47Å; L177-I196 HydrophobicContact CD1-CD1 4.06Å; L177-I196 HydrophobicContact CD1-CG1 3.75Å; L177-I196 HydrophobicContact CD2-CG1 3.88Å; L177-I196 HydrophobicContact CG-CG1 4.46Å; L177-M199 HydrophobicContact CD2-SD 4.09Å
178A87.5Confident82Confident58 Ų5899 Ų9948%0.47948%0.48SS..Hα-helixtrans-64.7-36.417700000112.9S174 K175 K182S174-A178 PolarHBondContact O-N 2.82Å; K175-A178 PolarHBondContact O-N 2.89Å; A178-K182 VanDerWaalsContact O-CB 3.27Å; A178-K182 WeakPolarHBondContact O-CB 3.5Å; A178-K182 PolarHBondContact O-N 3.49Å
179E90.4Very high84Confident141 Ų14196.4 Ų96.466%0.65947%0.471SS*.Hα-helixtrans-67.6-46.4174-72.1179.116400112.3K175 R176 L177 K182 S183K175-E179 PolarHBondContact O-N 3.29Å; R176-E179 PolarHBondContact O-N 2.86Å; L177-E179 PolarHBondContact O-N 2.68Å; E179-K182 PolarHBondContact O-N 2.82Å; E179-K182 VanDerWaalsContact O-N 3.16Å; E179-S183 PolarHBondContact O-N 2.79Å
180L90.3Very high85.9Confident18 Ų1896.7 Ų96.79%0.09447%0.468CS..Hα-helixtrans-62.3-43.6178.4-69.5169.2000112R176 L177 K182 S183 D188 E191 A192 L195R176-L180 HydrophobicContact CG-CD1 3.94Å; R176-L180 HydrophobicContact CG-CG 4.32Å; R176-L180 WeakPolarHBondContact O-CB 3.5Å; R176-L180 VanDerWaalsContact O-CG 3.25Å; R176-L180 WeakPolarHBondContact O-CG 3.3Å; R176-L180 PolarHBondContact O-N 3.16Å; L177-L180 PolarHBondContact O-N 3.33Å; L180-K182 VanDerWaalsContact C-N 3.25Å; L180-K182 PolarHBondContact O-N 3.23Å; L180-S183 WeakPolarHBondContact O-CB 3.29Å; L180-S183 PolarHBondContact O-N 3.34Å; L180-D188 HydrophobicContact CD2-CB 3.89Å; L180-E191 HydrophobicContact CD1-CB 4.12Å; L180-E191 HydrophobicContact CD1-CG 3.76Å; L180-E191 HydrophobicContact CD2-CB 4.3Å; L180-A192 HydrophobicContact CB-CB 3.88Å; L180-L195 HydrophobicContact CD1-CD2 4.3Å
181L87.7Confident87.1Confident90 Ų9096.3 Ų96.347%0.47147%0.465SS..Hα-helixtrans-67.8-21.5175.8-71.6172.9000113.7L177 A192 I196L177-L181 HydrophobicContact CD1-CD1 3.88Å; L177-L181 HydrophobicContact CD1-CG 3.99Å; L177-L181 HydrophobicContact CG-CD1 3.9Å; L177-L181 HydrophobicContact CG-CG 4.43Å; L177-L181 WeakPolarHBondContact O-CB 3.42Å; L177-L181 VanDerWaalsContact O-CG 3.3Å; L177-L181 WeakPolarHBondContact O-CG 3.28Å; L177-L181 PolarHBondContact O-N 3.11Å; L181-A192 HydrophobicContact CD2-CB 3.68Å; L181-A192 HydrophobicContact CG-CB 3.95Å; L181-I196 HydrophobicContact CD2-CD1 4.46Å
182K89.1Confident87.9Confident182 Ų18290.9 Ų90.979%0.79144%0.439SS*.Hα-helixtrans-85.7-14.4175.6-172.4175.2179.3-1780112.6A178 E179 L180A178-K182 VanDerWaalsContact O-CB 3.27Å; A178-K182 WeakPolarHBondContact O-CB 3.5Å; A178-K182 PolarHBondContact O-N 3.49Å; E179-K182 PolarHBondContact O-N 2.82Å; E179-K182 VanDerWaalsContact O-N 3.16Å; L180-K182 VanDerWaalsContact C-N 3.25Å; L180-K182 PolarHBondContact O-N 3.23Å
183S88.9Confident88.3Confident33 Ų3387.4 Ų87.423%0.23143%0.429CS..  trans-72.5153.6176.8-170.80000112.3E179 L180 K185 D188E179-S183 PolarHBondContact O-N 2.79Å; L180-S183 WeakPolarHBondContact O-CB 3.29Å; L180-S183 PolarHBondContact O-N 3.34Å; S183-K185 PolarHBondContact OG-N 2.95Å; S183-D188 WeakPolarHBondContact CB-OD2 3.49Å; S183-D188 PolarHBondContact OG-OD2 3.25Å
184K89.3Confident88.8Confident208 Ų20891.8 Ų91.890%0.90444%0.444SS*.  trans-99.63.4173.2-63.3-171.8178.4-174.50113.2
185K90.8Very high89.3Confident107 Ų10791.7 Ų91.747%0.46544%0.44SS..  trans-82.9139.1176.3-55.6-161.4-131.2103.90110.7S183 E187 D188 L189S183-K185 PolarHBondContact OG-N 2.95Å; K185-E187 VanDerWaalsContact C-N 3.27Å; K185-E187 PolarHBondContact O-N 2.77Å; K185-D188 HydrophobicContact CB-CB 4.22Å; K185-D188 WeakPolarHBondContact CE-OD2 3.45Å; K185-D188 VanDerWaalsContact NZ-CG 3.3Å; K185-D188 IonicContact NZ-OD1 2.78Å; K185-D188 PolarHBondContact NZ-OD1 3.13Å; K185-D188 IonicContact NZ-OD2 3.19Å; K185-D188 PolarHBondContact NZ-OD2 3.04Å; K185-D188 PolarHBondContact O-N 2.77Å; K185-L189 PolarHBondContact O-N 2.91Å
186P86.6Confident89.3Confident104 Ų10489.4 Ų89.468%0.67543%0.433SS*.Hα-helixtrans-65.1-32.3175.427.1-34.1000112.3L189 Q190P186-L189 PolarHBondContact O-N 2.7Å; P186-Q190 WeakPolarHBondContact O-CB 3.5Å; P186-Q190 PolarHBondContact O-N 2.91Å
187E91.4Very high89.3Confident138 Ų13890.1 Ų90.165%0.64544%0.439SS*.Hα-helixtrans-63.8-49.4178.1-62171.8162.700111.8K185 L189 Q190 E191K185-E187 VanDerWaalsContact C-N 3.27Å; K185-E187 PolarHBondContact O-N 2.77Å; E187-L189 VanDerWaalsContact C-N 3.29Å; E187-L189 PolarHBondContact O-N 2.96Å; E187-Q190 WeakPolarHBondContact O-CB 3.49Å; E187-Q190 PolarHBondContact O-N 3.24Å; E187-Q190 VanDerWaalsContact O-N 3.09Å; E187-E191 PolarHBondContact O-N 3.49Å
188D91.8Very high89.3Confident31 Ų3193.3 Ų93.317%0.16646%0.456CS..Hα-helixtrans-61.7-39.3177.9-57-7.3000110.6L180 S183 K185 E191 A192L180-D188 HydrophobicContact CD2-CB 3.89Å; S183-D188 WeakPolarHBondContact CB-OD2 3.49Å; S183-D188 PolarHBondContact OG-OD2 3.25Å; K185-D188 HydrophobicContact CB-CB 4.22Å; K185-D188 WeakPolarHBondContact CE-OD2 3.45Å; K185-D188 VanDerWaalsContact NZ-CG 3.3Å; K185-D188 IonicContact NZ-OD1 2.78Å; K185-D188 PolarHBondContact NZ-OD1 3.13Å; K185-D188 IonicContact NZ-OD2 3.19Å; K185-D188 PolarHBondContact NZ-OD2 3.04Å; K185-D188 PolarHBondContact O-N 2.77Å; D188-E191 PolarHBondContact O-N 3.2Å; D188-A192 PolarHBondContact O-N 3.32Å
189L89.3Confident89.1Confident75 Ų7591.4 Ų91.439%0.39344%0.438SS..Hα-helixtrans-66.6-34.7174.2-117.1166000112.7K185 P186 E187 A192 N193K185-L189 PolarHBondContact O-N 2.91Å; P186-L189 PolarHBondContact O-N 2.7Å; E187-L189 VanDerWaalsContact C-N 3.29Å; E187-L189 PolarHBondContact O-N 2.96Å; L189-A192 PolarHBondContact O-N 2.53Å; L189-N193 PolarHBondContact O-N 2.99Å; L189-N193 PolarHBondContact O-ND2 2.72Å
190Q90.1Very high88.7Confident148 Ų14888.8 Ų88.869%0.69243%0.432SS*.Hα-helixtrans-70.7-36.3173.7-168.3174.55.500111.4P186 E187 N193 R194P186-Q190 WeakPolarHBondContact O-CB 3.5Å; P186-Q190 PolarHBondContact O-N 2.91Å; E187-Q190 WeakPolarHBondContact O-CB 3.49Å; E187-Q190 PolarHBondContact O-N 3.24Å; E187-Q190 VanDerWaalsContact O-N 3.09Å; Q190-N193 PolarHBondContact O-N 2.91Å; Q190-R194 PolarHBondContact O-N 3.45Å
191E90.5Very high88.5Confident49 Ų4994.5 Ų94.523%0.22946%0.455CS..Hα-helixtrans-66.9-40.2170.4-174.3166.9-120.600111.9R176 L180 E187 D188 N193 R194 L195R176-E191 IonicContact CZ-OE1 3.66Å; R176-E191 IonicContact CZ-OE2 3.73Å; R176-E191 IonicContact NE-OE2 2.76Å; R176-E191 PolarHBondContact NE-OE2 3.41Å; R176-E191 IonicContact NH2-OE1 2.78Å; R176-E191 PolarHBondContact NH2-OE1 3.36Å; R176-E191 IonicContact NH2-OE2 2.62Å; R176-E191 PolarHBondContact NH2-OE2 3.03Å; L180-E191 HydrophobicContact CD1-CB 4.12Å; L180-E191 HydrophobicContact CD1-CG 3.76Å; L180-E191 HydrophobicContact CD2-CB 4.3Å; E187-E191 PolarHBondContact O-N 3.49Å; D188-E191 PolarHBondContact O-N 3.2Å; E191-N193 PolarHBondContact O-N 3.42Å; E191-R194 WeakPolarHBondContact O-CB 3.28Å; E191-R194 PolarHBondContact O-N 2.71Å; E191-R194 IonicContact OE1-CZ 3.88Å; E191-R194 IonicContact OE1-NH2 2.87Å; E191-R194 PolarHBondContact OE1-NH2 3.32Å; E191-L195 WeakPolarHBondContact O-CB 3.43Å; E191-L195 PolarHBondContact O-N 3.29Å
192A90.4Very high88.2Confident0 Ų093.3 Ų93.30%045%0.448CS..Hα-helixtrans-56.8-48.3173.300000111.6L177 L180 L181 D188 L189 R194 L195 I196L177-A192 HydrophobicContact CD1-CB 3.89Å; L180-A192 HydrophobicContact CB-CB 3.88Å; L181-A192 HydrophobicContact CD2-CB 3.68Å; L181-A192 HydrophobicContact CG-CB 3.95Å; D188-A192 PolarHBondContact O-N 3.32Å; L189-A192 PolarHBondContact O-N 2.53Å; A192-R194 VanDerWaalsContact C-N 3.32Å; A192-R194 PolarHBondContact O-N 2.87Å; A192-L195 PolarHBondContact O-N 3.27Å; A192-I196 VanDerWaalsContact O-CG1 3.28Å; A192-I196 WeakPolarHBondContact O-CG1 3.16Å; A192-I196 PolarHBondContact O-N 3.38Å
193N88.4Confident87.8Confident97 Ų9786.5 Ų86.552%0.51942%0.42SS..Hα-helixtrans-62.4-37177.4-76.1-48.8000112.7L189 Q190 E191 K197L189-N193 PolarHBondContact O-N 2.99Å; L189-N193 PolarHBondContact O-ND2 2.72Å; Q190-N193 PolarHBondContact O-N 2.91Å; E191-N193 PolarHBondContact O-N 3.42Å; N193-K197 WeakPolarHBondContact O-CB 3.18Å; N193-K197 PolarHBondContact O-N 3.42Å
194R92.4Very high87.6Confident150 Ų15091.1 Ų91.157%0.56644%0.438SS*.Hα-helixtrans-64.6-44.7172.1-178.3178.971.3151.5-2.2111.8Q190 E191 A192 K197 N198Q190-R194 PolarHBondContact O-N 3.45Å; E191-R194 WeakPolarHBondContact O-CB 3.28Å; E191-R194 PolarHBondContact O-N 2.71Å; E191-R194 IonicContact OE1-CZ 3.88Å; E191-R194 IonicContact OE1-NH2 2.87Å; E191-R194 PolarHBondContact OE1-NH2 3.32Å; A192-R194 VanDerWaalsContact C-N 3.32Å; A192-R194 PolarHBondContact O-N 2.87Å; R194-K197 PolarHBondContact O-N 2.58Å; R194-N198 PolarHBondContact O-N 3Å
195L88.2Confident87.4Confident31 Ų3185.7 Ų85.716%0.16242%0.422CS..Hα-helixtrans-65.4-44.4-179.6-178.255.5000111.2L177 L180 E191 A192 K197 N198 M199L177-L195 HydrophobicContact CB-CD2 3.8Å; L177-L195 HydrophobicContact CD1-CB 4.47Å; L177-L195 HydrophobicContact CD1-CD2 4.25Å; L177-L195 HydrophobicContact CD1-CG 4.47Å; L180-L195 HydrophobicContact CD1-CD2 4.3Å; E191-L195 WeakPolarHBondContact O-CB 3.43Å; E191-L195 PolarHBondContact O-N 3.29Å; A192-L195 PolarHBondContact O-N 3.27Å; L195-K197 PolarHBondContact O-N 3.29Å; L195-N198 PolarHBondContact O-N 3.29Å; L195-M199 HydrophobicContact CD1-CG 4.22Å; L195-M199 HydrophobicContact CD1-SD 4.23Å; L195-M199 HydrophobicContact CG-SD 4.11Å; L195-M199 WeakPolarHBondContact O-CB 3.33Å; L195-M199 WeakPolarHBondContact O-CG 3.46Å; L195-M199 PolarHBondContact O-N 3.08Å
196I87.2Confident87Confident61 Ų6184.3 Ų84.331%0.31341%0.414SS..Hα-helixtrans-56.5-49.5171.9-68.5161.9000110.5L177 L181 A192 N198 M199 V200L177-I196 HydrophobicContact CD1-CD1 4.06Å; L177-I196 HydrophobicContact CD1-CG1 3.75Å; L177-I196 HydrophobicContact CD2-CG1 3.88Å; L177-I196 HydrophobicContact CG-CG1 4.46Å; L181-I196 HydrophobicContact CD2-CD1 4.46Å; A192-I196 VanDerWaalsContact O-CG1 3.28Å; A192-I196 WeakPolarHBondContact O-CG1 3.16Å; A192-I196 PolarHBondContact O-N 3.38Å; I196-N198 VanDerWaalsContact C-N 3.26Å; I196-N198 PolarHBondContact O-N 2.95Å; I196-M199 PolarHBondContact O-N 3.39Å; I196-V200 HydrophobicContact CG2-CG2 4.29Å; I196-V200 WeakPolarHBondContact O-CG2 3.35Å; I196-V200 PolarHBondContact O-N 3.24Å
197K87.6Confident86.8Confident143 Ų14382.4 Ų82.462%0.62240%0.403SS*.Hα-helixtrans-62.7-31.2-179.1-171.8171.5-175.5173.30113.2N193 R194 L195 K201N193-K197 WeakPolarHBondContact O-CB 3.18Å; N193-K197 PolarHBondContact O-N 3.42Å; R194-K197 PolarHBondContact O-N 2.58Å; L195-K197 PolarHBondContact O-N 3.29Å; K197-K201 WeakPolarHBondContact O-CG 3.37Å
198N88.3Confident86.4Confident95 Ų9582.2 Ų82.251%0.50840%0.402SS..Hα-helixtrans-77.2-46.1173.2-75.75.3000111.6R194 L195 I196 V200 K201 E202R194-N198 PolarHBondContact O-N 3Å; L195-N198 PolarHBondContact O-N 3.29Å; I196-N198 VanDerWaalsContact C-N 3.26Å; I196-N198 PolarHBondContact O-N 2.95Å; N198-V200 VanDerWaalsContact C-N 3.34Å; N198-V200 PolarHBondContact O-N 2.93Å; N198-K201 PolarHBondContact O-N 3.5Å; N198-K201 VanDerWaalsContact O-N 3.12Å; N198-E202 WeakPolarHBondContact O-CB 3.31Å; N198-E202 PolarHBondContact O-N 2.6Å
199M81.7Confident86Confident18 Ų1885.8 Ų85.89%0.08941%0.413CS..Hα-helixtrans-59-42.5178.2-73.7178.771.500112V167 K173 L177 L195 I196 K201 E202 D203V167-M199 HydrophobicContact CG1-CE 3.76Å; K173-M199 HydrophobicContact CB-SD 4.44Å; L177-M199 HydrophobicContact CD2-SD 4.09Å; L195-M199 HydrophobicContact CD1-CG 4.22Å; L195-M199 HydrophobicContact CD1-SD 4.23Å; L195-M199 HydrophobicContact CG-SD 4.11Å; L195-M199 WeakPolarHBondContact O-CB 3.33Å; L195-M199 WeakPolarHBondContact O-CG 3.46Å; L195-M199 PolarHBondContact O-N 3.08Å; I196-M199 PolarHBondContact O-N 3.39Å; M199-K201 VanDerWaalsContact C-N 3.31Å; M199-K201 PolarHBondContact O-N 3.05Å; M199-E202 PolarHBondContact O-N 3.3Å; M199-D203 WeakPolarHBondContact O-CB 3.47Å; M199-D203 PolarHBondContact O-N 3.49Å
200V83.8Confident85.8Confident87 Ų8784.6 Ų84.653%0.52741%0.414SS..Hα-helixtrans-64.3-33.4176.9171.50000112.3I196 N198 E204I196-V200 HydrophobicContact CG2-CG2 4.29Å; I196-V200 WeakPolarHBondContact O-CG2 3.35Å; I196-V200 PolarHBondContact O-N 3.24Å; N198-V200 VanDerWaalsContact C-N 3.34Å; N198-V200 PolarHBondContact O-N 2.93Å; V200-E204 WeakPolarHBondContact O-CB 3.46Å; V200-E204 PolarHBondContact O-N 3.23Å
201K84.4Confident85.6Confident137 Ų13780.3 Ų80.360%0.59640%0.404SS*.Hα-helixtrans-73.4-41.5173.9-76.1-178.5166.4-1580112.7K197 N198 M199 D203 V205K197-K201 WeakPolarHBondContact O-CG 3.37Å; N198-K201 PolarHBondContact O-N 3.5Å; N198-K201 VanDerWaalsContact O-N 3.12Å; M199-K201 VanDerWaalsContact C-N 3.31Å; M199-K201 PolarHBondContact O-N 3.05Å; K201-D203 VanDerWaalsContact C-N 3.27Å; K201-V205 WeakPolarHBondContact O-CG2 3.33Å; K201-V205 PolarHBondContact O-N 3.46Å; K201-V205 VanDerWaalsContact O-N 3.16Å
202E82.9Confident85.4Confident66 Ų6682.5 Ų82.531%0.30841%0.413SS..Hα-helixtrans-63.6-37.1176.1-161.6-166.8120.900110.7K173 N198 M199 R206K173-E202 VanDerWaalsContact NZ-CD 3.29Å; K173-E202 IonicContact NZ-OE1 3.87Å; K173-E202 PolarHBondContact NZ-OE1 3.48Å; K173-E202 IonicContact NZ-OE2 3.66Å; K173-E202 PolarHBondContact NZ-OE2 3.32Å; N198-E202 WeakPolarHBondContact O-CB 3.31Å; N198-E202 PolarHBondContact O-N 2.6Å; M199-E202 PolarHBondContact O-N 3.3Å; E202-R206 WeakPolarHBondContact O-CB 3.32Å; E202-R206 PolarHBondContact O-N 3.44Å; E202-R206 PolarHBondContact O-NH1 3.14Å; E202-R206 IonicContact OE1-CZ 3.09Å; E202-R206 IonicContact OE1-NH1 3.84Å; E202-R206 PolarHBondContact OE1-NH1 3.18Å; E202-R206 IonicContact OE1-NH2 3.52Å; E202-R206 PolarHBondContact OE1-NH2 3.11Å
203D79.6Confident85.4Confident39 Ų3983.2 Ų83.221%0.20942%0.416CS..Hα-helixtrans-64.5-55.2173.2-175.916000112.3N165 V167 M199 K201 V205 R206 S207N165-D203 PolarHBondContact ND2-OD1 2.93Å; N165-D203 PolarHBondContact ND2-OD2 3.1Å; N165-D203 PolarHBondContact OD1-OD1 3.26Å; V167-D203 HydrophobicContact CG2-CB 3.72Å; V167-D203 WeakPolarHBondContact CG2-OD1 3.49Å; M199-D203 WeakPolarHBondContact O-CB 3.47Å; M199-D203 PolarHBondContact O-N 3.49Å; K201-D203 VanDerWaalsContact C-N 3.27Å; D203-V205 VanDerWaalsContact C-N 3.29Å; D203-V205 PolarHBondContact O-N 2.85Å; D203-R206 PolarHBondContact O-N 3.1Å; D203-R206 VanDerWaalsContact O-N 3.09Å; D203-S207 VanDerWaalsContact O-CB 3.28Å; D203-S207 WeakPolarHBondContact O-CB 3.23Å; D203-S207 PolarHBondContact O-N 2.89Å
204E85.2Confident85.4Confident129 Ų12985.4 Ų85.460%0.60342%0.421SS*.Hα-helixtrans-54.1-44.6178.3-172.168.1-137.300112V200 Q208V200-E204 WeakPolarHBondContact O-CB 3.46Å; V200-E204 PolarHBondContact O-N 3.23Å; E204-Q208 VanDerWaalsContact O-CB 3.32Å; E204-Q208 WeakPolarHBondContact O-CB 3.12Å; E204-Q208 PolarHBondContact O-N 3.5Å
205V85.7Confident85.5Confident95 Ų9583.4 Ų83.458%0.57642%0.422SS*.Hα-helixtrans-67.7-41.6177.5173.40000112K201 D203 Q208 R209K201-V205 WeakPolarHBondContact O-CG2 3.33Å; K201-V205 PolarHBondContact O-N 3.46Å; K201-V205 VanDerWaalsContact O-N 3.16Å; D203-V205 VanDerWaalsContact C-N 3.29Å; D203-V205 PolarHBondContact O-N 2.85Å; V205-Q208 PolarHBondContact O-N 2.69Å; V205-R209 WeakPolarHBondContact O-CB 3.41Å; V205-R209 PolarHBondContact O-N 3.36Å
206R81.4Confident85.7Confident78 Ų7882.6 Ų82.629%0.29442%0.418SS..Hα-helixtrans-64.6-45176.5-179.1-177.1-71.8103.5-6.2111.5E202 D203 R209 A210E202-R206 WeakPolarHBondContact O-CB 3.32Å; E202-R206 PolarHBondContact O-N 3.44Å; E202-R206 PolarHBondContact O-NH1 3.14Å; E202-R206 IonicContact OE1-CZ 3.09Å; E202-R206 IonicContact OE1-NH1 3.84Å; E202-R206 PolarHBondContact OE1-NH1 3.18Å; E202-R206 IonicContact OE1-NH2 3.52Å; E202-R206 PolarHBondContact OE1-NH2 3.11Å; D203-R206 PolarHBondContact O-N 3.1Å; D203-R206 VanDerWaalsContact O-N 3.09Å; R206-R209 PolarHBondContact O-N 3.4Å; R206-A210 WeakPolarHBondContact O-CB 3.47Å; R206-A210 PolarHBondContact O-N 3.39Å
207S81.9Confident86Confident64 Ų6480.7 Ų80.745%0.44841%0.409SS..Hα-helixtrans-59.2-46.4175.6-177.40000111.1D203 A210 A211D203-S207 VanDerWaalsContact O-CB 3.28Å; D203-S207 WeakPolarHBondContact O-CB 3.23Å; D203-S207 PolarHBondContact O-N 2.89Å; S207-A210 PolarHBondContact O-N 3.43Å; S207-A211 VanDerWaalsContact O-CB 3.31Å; S207-A211 WeakPolarHBondContact O-CB 3.48Å; S207-A211 PolarHBondContact O-N 3.45Å
208Q83.8Confident86.4Confident134 Ų13478.8 Ų78.863%0.62640%0.402SS*.Hα-helixtrans-63.8-40.4175.5-174.417575.400112.8E204 V205 A211 K212E204-Q208 VanDerWaalsContact O-CB 3.32Å; E204-Q208 WeakPolarHBondContact O-CB 3.12Å; E204-Q208 PolarHBondContact O-N 3.5Å; V205-Q208 PolarHBondContact O-N 2.69Å; Q208-A211 PolarHBondContact O-N 2.78Å; Q208-K212 WeakPolarHBondContact O-CB 3.16Å; Q208-K212 PolarHBondContact O-N 3.42Å
209R83.9Confident86.7Confident105 Ų10576 Ų7640%0.39639%0.392SS..Hα-helixtrans-61.6-50.1174-178.3-170.2-88.1-172.9-15.2111.1V205 R206 A211 K212 Q213 E267 D270V205-R209 WeakPolarHBondContact O-CB 3.41Å; V205-R209 PolarHBondContact O-N 3.36Å; R206-R209 PolarHBondContact O-N 3.4Å; R209-A211 VanDerWaalsContact C-N 3.33Å; R209-A211 PolarHBondContact O-N 3.06Å; R209-K212 WeakPolarHBondContact O-CB 3.39Å; R209-K212 PolarHBondContact O-N 3.2Å; R209-Q213 WeakPolarHBondContact O-CB 3.27Å; R209-Q213 PolarHBondContact O-N 3.19Å; R209-E267 PolarHBondContact NH2-O 3.38Å; R209-D270 IonicContact CZ-OD1 2.82Å; R209-D270 IonicContact NH1-OD1 2.66Å; R209-D270 PolarHBondContact NH1-OD1 3.33Å; R209-D270 IonicContact NH1-OD2 3.36Å; R209-D270 PolarHBondContact NH1-OD2 3.15Å
210A83.9Confident87.4Confident51 Ų5175.2 Ų75.242%0.42139%0.388SS..Hα-helixtrans-62.5-38.417900000112.3R206 S207 Q213 K214R206-A210 WeakPolarHBondContact O-CB 3.47Å; R206-A210 PolarHBondContact O-N 3.39Å; S207-A210 PolarHBondContact O-N 3.43Å; A210-Q213 PolarHBondContact O-N 2.81Å; A210-K214 VanDerWaalsContact O-CB 3.31Å; A210-K214 WeakPolarHBondContact O-CB 3.45Å; A210-K214 PolarHBondContact O-N 3.18Å
211A85.6Confident87.9Confident58 Ų5873 Ų7348%0.47938%0.377SS..Hα-helixtrans-65.1-44.1174.700000112.4S207 Q208 R209 N215S207-A211 VanDerWaalsContact O-CB 3.31Å; S207-A211 WeakPolarHBondContact O-CB 3.48Å; S207-A211 PolarHBondContact O-N 3.45Å; Q208-A211 PolarHBondContact O-N 2.78Å; R209-A211 VanDerWaalsContact C-N 3.33Å; R209-A211 PolarHBondContact O-N 3.06Å; A211-N215 VanDerWaalsContact O-CB 3.28Å; A211-N215 WeakPolarHBondContact O-CB 3.16Å; A211-N215 PolarHBondContact O-N 3.46Å
212K87.9Confident88.4Confident94 Ų9470.6 Ų70.641%0.40937%0.37SS..Hα-helixtrans-59.1-48.2173.8176.6-162.2173.6-166.90111.3Q208 R209 T216 L264 E267Q208-K212 WeakPolarHBondContact O-CB 3.16Å; Q208-K212 PolarHBondContact O-N 3.42Å; R209-K212 WeakPolarHBondContact O-CB 3.39Å; R209-K212 PolarHBondContact O-N 3.2Å; K212-T216 PolarHBondContact O-N 2.85Å; K212-T216 VanDerWaalsContact O-N 3.07Å; K212-T216 PolarHBondContact O-OG1 2.98Å; K212-L264 HydrophobicContact CD-CD2 4.24Å; K212-E267 IonicContact NZ-OE1 3.03Å; K212-E267 IonicContact NZ-OE2 2.92Å; K212-E267 PolarHBondContact NZ-OE2 3.32Å
213Q88.7Confident89Confident15 Ų1568.5 Ų68.57%0.0736%0.363CS..Hα-helixtrans-58.5-57.3177175.4-173.2-2800110.5R209 A210 N215 T216 L217 S274 I278R209-Q213 WeakPolarHBondContact O-CB 3.27Å; R209-Q213 PolarHBondContact O-N 3.19Å; A210-Q213 PolarHBondContact O-N 2.81Å; Q213-N215 VanDerWaalsContact C-N 3.34Å; Q213-N215 PolarHBondContact O-N 3.18Å; Q213-T216 WeakPolarHBondContact O-CB 3.09Å; Q213-T216 PolarHBondContact O-N 3.49Å; Q213-L217 HydrophobicContact CG-CD1 3.91Å; Q213-L217 HydrophobicContact CG-CG 4.44Å; Q213-L217 WeakPolarHBondContact O-CG 3.46Å; Q213-L217 PolarHBondContact O-N 3.33Å; Q213-S274 PolarHBondContact NE2-OG 3.06Å; Q213-I278 HydrophobicContact CG-CD1 4.1Å; Q213-I278 HydrophobicContact CG-CG1 4.18Å
214K90.2Very high89.8Confident143 Ų14367.2 Ų67.262%0.62236%0.356SS*.Hα-helixtrans-54.9-46.8-179.8180179174.8-178.80112.4A210 T216 L217 E218A210-K214 VanDerWaalsContact O-CB 3.31Å; A210-K214 WeakPolarHBondContact O-CB 3.45Å; A210-K214 PolarHBondContact O-N 3.18Å; K214-T216 VanDerWaalsContact C-N 3.28Å; K214-T216 PolarHBondContact O-N 2.78Å; K214-L217 PolarHBondContact O-N 2.72Å; K214-E218 WeakPolarHBondContact O-CB 3.36Å; K214-E218 PolarHBondContact O-N 3.39Å
215N92.9Very high90.3Very high108 Ų10866.8 Ų66.858%0.57835%0.352SS*.Hα-helixtrans-62.5-36.1179.1179.6-109.3000112.2A211 Q213 A219A211-N215 VanDerWaalsContact O-CB 3.28Å; A211-N215 WeakPolarHBondContact O-CB 3.16Å; A211-N215 PolarHBondContact O-N 3.46Å; Q213-N215 VanDerWaalsContact C-N 3.34Å; Q213-N215 PolarHBondContact O-N 3.18Å; N215-A219 WeakPolarHBondContact O-CB 3.37Å; N215-A219 PolarHBondContact O-N 2.77Å
216T92.8Very high90.7Very high15 Ų1565.9 Ų65.99%0.09234%0.344CS..Hα-helixtrans-68.8-44.1175.1-49.70000111.4K212 Q213 K214 E218 A219 V220 T260 V261 L264K212-T216 PolarHBondContact O-N 2.85Å; K212-T216 VanDerWaalsContact O-N 3.07Å; K212-T216 PolarHBondContact O-OG1 2.98Å; Q213-T216 WeakPolarHBondContact O-CB 3.09Å; Q213-T216 PolarHBondContact O-N 3.49Å; K214-T216 VanDerWaalsContact C-N 3.28Å; K214-T216 PolarHBondContact O-N 2.78Å; T216-E218 VanDerWaalsContact C-N 3.33Å; T216-E218 PolarHBondContact O-N 3.36Å; T216-A219 PolarHBondContact O-N 3.09Å; T216-V220 WeakPolarHBondContact O-CB 3.36Å; T216-V220 VanDerWaalsContact O-CG2 3.28Å; T216-V220 WeakPolarHBondContact O-CG2 3.38Å; T216-V220 PolarHBondContact O-N 2.97Å; T216-T260 HydrophobicContact CG2-CG2 3.99Å; T216-V261 HydrophobicContact CG2-CG2 4.37Å; T216-L264 HydrophobicContact CG2-CD1 3.66Å
217L94.6Very high91.3Very high21 Ų2162.1 Ų62.111%0.1133%0.33CS..Hα-helixtrans-64.2-36.9176.9-62.2173.6000112.1Q213 K214 V220 S221 E277 I278 A281Q213-L217 HydrophobicContact CG-CD1 3.91Å; Q213-L217 HydrophobicContact CG-CG 4.44Å; Q213-L217 WeakPolarHBondContact O-CG 3.46Å; Q213-L217 PolarHBondContact O-N 3.33Å; K214-L217 PolarHBondContact O-N 2.72Å; L217-V220 PolarHBondContact O-N 3.42Å; L217-S221 WeakPolarHBondContact O-CB 3.23Å; L217-S221 PolarHBondContact O-N 2.87Å; L217-E277 HydrophobicContact CD1-CB 4.04Å; L217-I278 HydrophobicContact CD2-CG1 4.26Å; L217-A281 HydrophobicContact CD2-CB 3.5Å
218E94.9Very high91.9Very high102 Ų10262.1 Ų62.148%0.47733%0.325SS..Hα-helixtrans-66.5-46.1174.3-177.5169.9-169.300111.8K214 T216 V220 S221 N222K214-E218 WeakPolarHBondContact O-CB 3.36Å; K214-E218 PolarHBondContact O-N 3.39Å; T216-E218 VanDerWaalsContact C-N 3.33Å; T216-E218 PolarHBondContact O-N 3.36Å; E218-V220 VanDerWaalsContact C-N 3.33Å; E218-V220 PolarHBondContact O-N 2.97Å; E218-S221 PolarHBondContact O-N 3.19Å; E218-N222 WeakPolarHBondContact O-CB 3.47Å; E218-N222 PolarHBondContact O-N 3.16Å; E218-N222 PolarHBondContact O-ND2 3.02Å
219A94.3Very high92.4Very high36 Ų3661.4 Ų61.430%0.29832%0.321SS..Hα-helixtrans-57.5-46173.500000111.5N215 T216 N222 S223 L257N215-A219 WeakPolarHBondContact O-CB 3.37Å; N215-A219 PolarHBondContact O-N 2.77Å; T216-A219 PolarHBondContact O-N 3.09Å; A219-N222 PolarHBondContact O-N 3.48Å; A219-S223 WeakPolarHBondContact O-CB 3.45Å; A219-S223 PolarHBondContact O-N 3.19Å; A219-S223 PolarHBondContact O-OG 3.2Å; A219-L257 HydrophobicContact CB-CD2 4.31Å
220V96.5Very high92.7Very high2 Ų258.1 Ų58.11%0.01231%0.311CS..Hα-helixtrans-58.3-51.1174.9166.40000112.1T216 L217 E218 N222 S223 V224 L257 V261 A281 L285T216-V220 WeakPolarHBondContact O-CB 3.36Å; T216-V220 VanDerWaalsContact O-CG2 3.28Å; T216-V220 WeakPolarHBondContact O-CG2 3.38Å; T216-V220 PolarHBondContact O-N 2.97Å; L217-V220 PolarHBondContact O-N 3.42Å; E218-V220 VanDerWaalsContact C-N 3.33Å; E218-V220 PolarHBondContact O-N 2.97Å; V220-N222 PolarHBondContact O-N 3.49Å; V220-S223 PolarHBondContact O-N 3.34Å; V220-V224 HydrophobicContact CG1-CG2 4.22Å; V220-V224 WeakPolarHBondContact O-CB 3.48Å; V220-V224 VanDerWaalsContact O-CG2 3.3Å; V220-V224 WeakPolarHBondContact O-CG2 3.15Å; V220-V224 PolarHBondContact O-N 3.05Å; V220-L257 HydrophobicContact CG2-CB 3.91Å; V220-L257 HydrophobicContact CG2-CD1 4.18Å; V220-L257 HydrophobicContact CG2-CD2 4.25Å; V220-L257 HydrophobicContact CG2-CG 4.35Å; V220-V261 HydrophobicContact CG2-CG2 3.73Å; V220-A281 HydrophobicContact CG1-CB 3.97Å; V220-L285 HydrophobicContact CB-CD1 4.47Å; V220-L285 HydrophobicContact CG1-CD1 3.8Å; V220-L285 HydrophobicContact CG1-CD2 3.89Å; V220-L285 HydrophobicContact CG1-CG 3.57Å; V220-L285 HydrophobicContact CG2-CD1 3.8Å; V220-L285 HydrophobicContact CG2-CD2 4.35Å; V220-L285 HydrophobicContact CG2-CG 4.34Å
221S95.5Very high93Very high41 Ų4156.1 Ų56.129%0.28729%0.293SS..Hα-helixtrans-59.9-35.6-179-161.70000111.8L217 E218 K225L217-S221 WeakPolarHBondContact O-CB 3.23Å; L217-S221 PolarHBondContact O-N 2.87Å; E218-S221 PolarHBondContact O-N 3.19Å; S221-K225 WeakPolarHBondContact O-CB 3.19Å; S221-K225 WeakPolarHBondContact O-CD 3.48Å; S221-K225 WeakPolarHBondContact O-CG 3.25Å; S221-K225 PolarHBondContact O-N 2.95Å; S221-K225 PolarHBondContact OG-NZ 3.46Å
222N95.2Very high93.1Very high86 Ų8657.2 Ų57.246%0.4630%0.303SS..Hα-helixtrans-75.4-45.5178.6-66.2-21.1000112.2E218 A219 V220 K225 L226E218-N222 WeakPolarHBondContact O-CB 3.47Å; E218-N222 PolarHBondContact O-N 3.16Å; E218-N222 PolarHBondContact O-ND2 3.02Å; A219-N222 PolarHBondContact O-N 3.48Å; V220-N222 PolarHBondContact O-N 3.49Å; N222-K225 PolarHBondContact O-N 3.48Å; N222-L226 WeakPolarHBondContact O-CB 3.38Å; N222-L226 PolarHBondContact O-N 2.95Å
223S94.9Very high93Very high22 Ų2259.8 Ų59.815%0.15432%0.316CS..Hα-helixtrans-63.3-40.5175.9-64.90000112.5A219 V220 L227A219-S223 WeakPolarHBondContact O-CB 3.45Å; A219-S223 PolarHBondContact O-N 3.19Å; A219-S223 PolarHBondContact O-OG 3.2Å; V220-S223 PolarHBondContact O-N 3.34Å; S223-L227 WeakPolarHBondContact O-CB 3.16Å; S223-L227 PolarHBondContact O-N 3Å
224V96.6Very high92.9Very high12 Ų1260.4 Ų60.47%0.07332%0.318CS..Hα-helixtrans-63.1-45.7175.4166.40000111.4V220 N228 D284 L285 A288V220-V224 HydrophobicContact CG1-CG2 4.22Å; V220-V224 WeakPolarHBondContact O-CB 3.48Å; V220-V224 VanDerWaalsContact O-CG2 3.3Å; V220-V224 WeakPolarHBondContact O-CG2 3.15Å; V220-V224 PolarHBondContact O-N 3.05Å; V224-N228 WeakPolarHBondContact O-CB 2.96Å; V224-N228 VanDerWaalsContact O-CG 3.25Å; V224-N228 PolarHBondContact O-N 3.42Å; V224-N228 PolarHBondContact O-ND2 3.28Å; V224-N228 VanDerWaalsContact O-ND2 3.16Å; V224-D284 HydrophobicContact CG1-CB 4.43Å; V224-D284 HydrophobicContact CG2-CB 4.46Å; V224-L285 HydrophobicContact CG2-CD2 3.69Å; V224-L285 HydrophobicContact CG2-CG 4.1Å; V224-A288 HydrophobicContact CG1-CB 4.21Å; V224-A288 HydrophobicContact CG2-CB 4.25Å
225K95.3Very high92.5Very high120 Ų12055.9 Ų55.952%0.52231%0.305SS..Hα-helixtrans-60.9-52.4176.9-75.5163.9-172.6141.50111.5S221 N222 L227 N228 E229S221-K225 WeakPolarHBondContact O-CB 3.19Å; S221-K225 WeakPolarHBondContact O-CD 3.48Å; S221-K225 WeakPolarHBondContact O-CG 3.25Å; S221-K225 PolarHBondContact O-N 2.95Å; S221-K225 PolarHBondContact OG-NZ 3.46Å; N222-K225 PolarHBondContact O-N 3.48Å; K225-L227 PolarHBondContact O-N 3.05Å; K225-N228 PolarHBondContact O-N 3.37Å; K225-E229 WeakPolarHBondContact O-CB 3.32Å; K225-E229 PolarHBondContact O-N 3.01Å
226L94.3Very high91.6Very high76 Ų7655 Ų5540%0.39831%0.305SS..Hα-helixtrans-65.9-39.1-176.2-178.257.5000112.2N222 E229 M230 L250N222-L226 WeakPolarHBondContact O-CB 3.38Å; N222-L226 PolarHBondContact O-N 2.95Å; L226-E229 PolarHBondContact O-N 3.04Å; L226-M230 HydrophobicContact CD1-CG 4.14Å; L226-M230 WeakPolarHBondContact O-CB 3.11Å; L226-M230 WeakPolarHBondContact O-CG 3.33Å; L226-M230 PolarHBondContact O-N 2.99Å; L226-L250 HydrophobicContact CD2-CD1 4.19Å; L226-L250 HydrophobicContact CD2-CD2 3.84Å; L226-L250 HydrophobicContact CG-CD1 3.88Å; L226-L250 HydrophobicContact CG-CD2 4.15Å
227L94.3Very high90.7Very high0 Ų063.2 Ų63.20%034%0.342CS..Hα-helixtrans-62.9-45.6173.4-179.556.8000111.1S223 K225 L231 I247 L250 C254 A288 Y292S223-L227 WeakPolarHBondContact O-CB 3.16Å; S223-L227 PolarHBondContact O-N 3Å; K225-L227 PolarHBondContact O-N 3.05Å; L227-L231 HydrophobicContact CD1-CD1 3.94Å; L227-L231 HydrophobicContact CD1-CG 4.07Å; L227-L231 HydrophobicContact CG-CD1 3.87Å; L227-L231 HydrophobicContact CG-CG 4.44Å; L227-L231 VanDerWaalsContact O-CB 3.27Å; L227-L231 WeakPolarHBondContact O-CB 3.3Å; L227-L231 WeakPolarHBondContact O-CD1 3.19Å; L227-L231 WeakPolarHBondContact O-CG 3.48Å; L227-L231 PolarHBondContact O-N 3.37Å; L227-I247 HydrophobicContact CD1-CG2 4.04Å; L227-L250 HydrophobicContact CB-CB 4.37Å; L227-L250 HydrophobicContact CD1-CB 4.04Å; L227-C254 HydrophobicContact CD2-CB 4.3Å; L227-A288 HydrophobicContact CD2-CB 4.16Å; L227-Y292 HydrophobicContact CD1-CD2 4.4Å
228N93.6Very high89.7Confident63 Ų6368.7 Ų68.734%0.33737%0.371SS..Hα-helixtrans-66.8-35.7178-73.6-28.2000113V224 K225 A232V224-N228 WeakPolarHBondContact O-CB 2.96Å; V224-N228 VanDerWaalsContact O-CG 3.25Å; V224-N228 PolarHBondContact O-N 3.42Å; V224-N228 PolarHBondContact O-ND2 3.28Å; V224-N228 VanDerWaalsContact O-ND2 3.16Å; K225-N228 PolarHBondContact O-N 3.37Å; N228-A232 WeakPolarHBondContact O-CB 3.48Å; N228-A232 PolarHBondContact O-N 2.85Å
229E93.6Very high89.2Confident119 Ų11964.6 Ų64.656%0.55635%0.354SS*.Hα-helixtrans-65.9-49.2175.7-175.2173.1174.500111.4K225 L226 L231 A232 H233K225-E229 WeakPolarHBondContact O-CB 3.32Å; K225-E229 PolarHBondContact O-N 3.01Å; L226-E229 PolarHBondContact O-N 3.04Å; E229-L231 VanDerWaalsContact C-N 3.34Å; E229-L231 PolarHBondContact O-N 3.16Å; E229-A232 WeakPolarHBondContact O-CB 3.19Å; E229-A232 PolarHBondContact O-N 3.26Å; E229-H233 PolarHBondContact O-CD2 2.74Å; E229-H233 PolarHBondContact O-N 2.95Å
230M90.9Very high88.9Confident37 Ų3766 Ų6618%0.18236%0.359CS..Hα-helixtrans-64.7-37176.2-67.2-65.2-59.500112.3L226 A232 H233 F234 D243 L246 I247 L250L226-M230 HydrophobicContact CD1-CG 4.14Å; L226-M230 WeakPolarHBondContact O-CB 3.11Å; L226-M230 WeakPolarHBondContact O-CG 3.33Å; L226-M230 PolarHBondContact O-N 2.99Å; M230-A232 VanDerWaalsContact C-N 3.33Å; M230-A232 PolarHBondContact O-N 3.07Å; M230-H233 CarbonylContact O-C 3.52Å; M230-H233 PolarHBondContact O-N 2.68Å; M230-F234 PolarHBondContact O-N 2.86Å; M230-F234 VanDerWaalsContact O-N 3.11Å; M230-D243 HydrophobicContact CE-CB 4.2Å; M230-L246 HydrophobicContact CE-CD2 4.17Å; M230-I247 HydrophobicContact CB-CD1 3.92Å; M230-I247 HydrophobicContact CB-CG1 3.59Å; M230-I247 HydrophobicContact CE-CD1 4.21Å; M230-I247 HydrophobicContact CE-CG1 4.13Å; M230-I247 HydrophobicContact CG-CG1 4.36Å; M230-L250 HydrophobicContact CG-CD1 4.33Å
231L89.6Confident88.5Confident8 Ų871.9 Ų71.94%0.04239%0.387CS..Hα-helixtrans-66.5-31.3174-74.1171.5000113.1L227 E229 H233 F234 I247 Y292 I295 V296L227-L231 HydrophobicContact CD1-CD1 3.94Å; L227-L231 HydrophobicContact CD1-CG 4.07Å; L227-L231 HydrophobicContact CG-CD1 3.87Å; L227-L231 HydrophobicContact CG-CG 4.44Å; L227-L231 VanDerWaalsContact O-CB 3.27Å; L227-L231 WeakPolarHBondContact O-CB 3.3Å; L227-L231 WeakPolarHBondContact O-CD1 3.19Å; L227-L231 WeakPolarHBondContact O-CG 3.48Å; L227-L231 PolarHBondContact O-N 3.37Å; E229-L231 VanDerWaalsContact C-N 3.34Å; E229-L231 PolarHBondContact O-N 3.16Å; L231-H233 PolarHBondContact O-N 2.95Å; L231-F234 PolarHBondContact O-N 3.02Å; L231-I247 HydrophobicContact CD2-CG2 3.91Å; L231-I247 HydrophobicContact CG-CG2 4.44Å; L231-Y292 HydrophobicContact CD2-CD2 4.32Å; L231-I295 HydrophobicContact CB-CD1 4.15Å; L231-I295 HydrophobicContact CD2-CB 4.21Å; L231-I295 HydrophobicContact CD2-CG2 4.06Å; L231-V296 HydrophobicContact CD2-CG2 3.49Å; L231-V296 VanDerWaalsContact CD2-CG2 3.49Å
232A89.1Confident88Confident82 Ų8276.6 Ų76.668%0.67840%0.404SS*.Hα-helixtrans-70.3-21.4174.900000112.9N228 E229 M230N228-A232 WeakPolarHBondContact O-CB 3.48Å; N228-A232 PolarHBondContact O-N 2.85Å; E229-A232 WeakPolarHBondContact O-CB 3.19Å; E229-A232 PolarHBondContact O-N 3.26Å; M230-A232 VanDerWaalsContact C-N 3.33Å; M230-A232 PolarHBondContact O-N 3.07Å
233H85.3Confident87.7Confident147 Ų14774.9 Ų74.968%0.68140%0.395SS*.THydrogen-bonded Turntrans-104.57.7175.3-70.1-64.7000113.8E229 M230 L231 S235E229-H233 PolarHBondContact O-CD2 2.74Å; E229-H233 PolarHBondContact O-N 2.95Å; M230-H233 CarbonylContact O-C 3.52Å; M230-H233 PolarHBondContact O-N 2.68Å; L231-H233 PolarHBondContact O-N 2.95Å; H233-S235 PolarHBondContact O-N 3Å
234F85.9Confident87.3Confident28 Ų2876.6 Ų76.612%0.12340%0.4CS..  trans-82.1117.7-178.1-177-101.3000112.8M230 L231 P236 K244 I247 I295 V296M230-F234 PolarHBondContact O-N 2.86Å; M230-F234 VanDerWaalsContact O-N 3.11Å; L231-F234 PolarHBondContact O-N 3.02Å; F234-P236 HydrophobicContact CD1-CG 4.46Å; F234-P236 HydrophobicContact CE1-CB 4.39Å; F234-P236 HydrophobicContact CE1-CG 3.89Å; F234-K244 HydrophobicContact CE2-CG 3.86Å; F234-I247 HydrophobicContact CB-CD1 4.28Å; F234-I247 HydrophobicContact CD2-CD1 3.62Å; F234-I247 HydrophobicContact CE2-CD1 4.4Å; F234-I247 HydrophobicContact CG-CD1 4.33Å; F234-I295 HydrophobicContact CB-CG2 4.38Å; F234-I295 HydrophobicContact CD1-CG2 3.74Å; F234-I295 HydrophobicContact CG-CG2 4.45Å; F234-V296 HydrophobicContact CD1-CG2 4.06Å; F234-V296 HydrophobicContact CE1-CB 4.3Å; F234-V296 HydrophobicContact CE1-CG1 4.33Å; F234-V296 HydrophobicContact CE1-CG2 3.9Å; F234-V296 HydrophobicContact CG-CG2 4.42Å; F234-V296 HydrophobicContact CZ-CB 4.45Å; F234-V296 HydrophobicContact CZ-CG1 4.01Å; F234-V296 HydrophobicContact CZ-CG2 4.14Å
235S81.9Confident87.1Confident49 Ų4982.6 Ų82.634%0.34343%0.427SS..  trans-113.7120.6167.5-84.40000108.9H233 E237 D238 S239H233-S235 PolarHBondContact O-N 3Å; S235-E237 PolarHBondContact O-N 3.47Å; S235-E237 VanDerWaalsContact O-N 3.14Å; S235-D238 PolarHBondContact O-N 2.93Å; S235-S239 PolarHBondContact N-OG 2.82Å; S235-S239 VanDerWaalsContact O-CB 3.28Å; S235-S239 WeakPolarHBondContact O-CB 3.47Å; S235-S239 PolarHBondContact O-N 3.12Å; S235-S239 PolarHBondContact O-OG 2.62Å
236P75.2Confident86.9Confident89 Ų8980.3 Ų80.358%0.57842%0.42SS*.THydrogen-bonded Turntrans-53.7-38.8-178.7-27.733.6000114F234 K244F234-P236 HydrophobicContact CD1-CG 4.46Å; F234-P236 HydrophobicContact CE1-CB 4.39Å; F234-P236 HydrophobicContact CE1-CG 3.89Å; P236-K244 WeakPolarHBondContact O-CE 3.44Å; P236-K244 PolarHBondContact O-NZ 2.9Å
237E72.5Confident86.8Confident188 Ų18876.9 Ų76.988%0.87940%0.402SS*.THydrogen-bonded Turntrans-89.6-32.6-176.9-57.3-169.8158.600113.3S235S235-E237 PolarHBondContact O-N 3.47Å; S235-E237 VanDerWaalsContact O-N 3.14Å
238D74.8Confident86.7Confident135 Ų13582.7 Ų82.772%0.72243%0.427SS*.THydrogen-bonded Turntrans-100.3-24.8-173.6-53.1-68.1000115.6S235S235-D238 PolarHBondContact O-N 2.93Å
239S84.9Confident86.8Confident16 Ų1685.4 Ų85.411%0.11244%0.438CS..SBendtrans-68.1145.1-179.2-66.90000111.7S235 K244S235-S239 PolarHBondContact N-OG 2.82Å; S235-S239 VanDerWaalsContact O-CB 3.28Å; S235-S239 WeakPolarHBondContact O-CB 3.47Å; S235-S239 PolarHBondContact O-N 3.12Å; S235-S239 PolarHBondContact O-OG 2.62Å; S239-K244 WeakPolarHBondContact O-CE 3.4Å; S239-K244 PolarHBondContact O-NZ 3.35Å
240T87.1Confident86.7Confident66 Ų6680.5 Ų80.541%0.40542%0.415SS..  trans-69163.5-17869.40000111.7E242 D243 K244T240-E242 VanDerWaalsContact C-N 3.26Å; T240-E242 WeakPolarHBondContact CB-OE2 3.16Å; T240-D243 WeakPolarHBondContact CB-OD2 3.39Å; T240-D243 PolarHBondContact N-OD2 2.68Å; T240-D243 PolarHBondContact O-N 3.19Å; T240-D243 PolarHBondContact OG1-N 2.66Å; T240-D243 PolarHBondContact OG1-OD2 2.96Å; T240-K244 WeakPolarHBondContact O-CD 3.21Å; T240-K244 WeakPolarHBondContact O-CG 3.44Å; T240-K244 PolarHBondContact O-N 3.48Å; T240-K244 VanDerWaalsContact O-N 3.09Å
241E87.1Confident86.9Confident126 Ų12680.4 Ų80.459%0.58941%0.413SS*.Hα-helixtrans-70.6-31.9177.2-162.366.2-174.200110.3K244 E245E241-K244 WeakPolarHBondContact O-CB 3.46Å; E241-K244 PolarHBondContact O-N 3.45Å; E241-K244 VanDerWaalsContact O-N 3.16Å; E241-K244 WeakPolarHBondContact OE2-CD 3.15Å; E241-E245 PolarHBondContact O-N 3.31Å
242E86.8Confident87.2Confident139 Ų13983.6 Ų83.665%0.6543%0.43SS*.Hα-helixtrans-61-42.5171.5-62.583.2170.200111.9T240 K244 L246T240-E242 VanDerWaalsContact C-N 3.26Å; T240-E242 WeakPolarHBondContact CB-OE2 3.16Å; E242-K244 VanDerWaalsContact C-N 3.34Å; E242-L246 WeakPolarHBondContact O-CB 3.47Å; E242-L246 PolarHBondContact O-N 2.82Å
243D87.1Confident87.4Confident51 Ų5182.3 Ų82.327%0.27341%0.412SS..Hα-helixtrans-62.9-41.7171.6-60.7-50.9000111.2M230 T240 L246 I247M230-D243 HydrophobicContact CE-CB 4.2Å; T240-D243 WeakPolarHBondContact CB-OD2 3.39Å; T240-D243 PolarHBondContact N-OD2 2.68Å; T240-D243 PolarHBondContact O-N 3.19Å; T240-D243 PolarHBondContact OG1-N 2.66Å; T240-D243 PolarHBondContact OG1-OD2 2.96Å; D243-L246 PolarHBondContact O-N 3.12Å; D243-I247 WeakPolarHBondContact O-CB 3.42Å; D243-I247 WeakPolarHBondContact O-CD1 3.43Å; D243-I247 WeakPolarHBondContact O-CG1 3.41Å; D243-I247 PolarHBondContact O-N 2.96Å
244K88.3Confident87.9Confident58 Ų5875.3 Ų75.325%0.25238%0.38SS..Hα-helixtrans-65.6-39.9-179.4-76.3156.5176.21580112.1F234 P236 S239 T240 E241 E242 K248F234-K244 HydrophobicContact CE2-CG 3.86Å; P236-K244 WeakPolarHBondContact O-CE 3.44Å; P236-K244 PolarHBondContact O-NZ 2.9Å; S239-K244 WeakPolarHBondContact O-CE 3.4Å; S239-K244 PolarHBondContact O-NZ 3.35Å; T240-K244 WeakPolarHBondContact O-CD 3.21Å; T240-K244 WeakPolarHBondContact O-CG 3.44Å; T240-K244 PolarHBondContact O-N 3.48Å; T240-K244 VanDerWaalsContact O-N 3.09Å; E241-K244 WeakPolarHBondContact O-CB 3.46Å; E241-K244 PolarHBondContact O-N 3.45Å; E241-K244 VanDerWaalsContact O-N 3.16Å; E241-K244 WeakPolarHBondContact OE2-CD 3.15Å; E242-K244 VanDerWaalsContact C-N 3.34Å; K244-K248 VanDerWaalsContact O-CB 3.26Å; K244-K248 WeakPolarHBondContact O-CB 3.45Å; K244-K248 PolarHBondContact O-N 3.22Å
245E90.7Very high88.3Confident138 Ų13875.8 Ų75.865%0.64538%0.384SS*.Hα-helixtrans-67.6-44.8172.4-69.9-161140.700111.6E241 K248 E249E241-E245 PolarHBondContact O-N 3.31Å; E245-K248 WeakPolarHBondContact O-CB 3.41Å; E245-K248 PolarHBondContact O-N 2.74Å; E245-E249 PolarHBondContact O-N 3.49Å
246L92.1Very high88.9Confident72 Ų7278.9 Ų78.938%0.37739%0.391SS..Hα-helixtrans-62.4-46.3179.9179.760.8000112.9M230 E242 D243 K248 E249 L250M230-L246 HydrophobicContact CE-CD2 4.17Å; E242-L246 WeakPolarHBondContact O-CB 3.47Å; E242-L246 PolarHBondContact O-N 2.82Å; D243-L246 PolarHBondContact O-N 3.12Å; L246-K248 PolarHBondContact O-N 3.39Å; L246-E249 PolarHBondContact O-N 3.09Å; L246-L250 HydrophobicContact CD1-CD1 4.28Å; L246-L250 HydrophobicContact CD1-CG 4.41Å; L246-L250 HydrophobicContact CG-CD1 4.07Å; L246-L250 WeakPolarHBondContact O-CB 3.49Å; L246-L250 WeakPolarHBondContact O-CG 3.27Å; L246-L250 PolarHBondContact O-N 3.2Å
247I92Very high89.8Confident3 Ų376.1 Ų76.12%0.01537%0.371CS..Hα-helixtrans-62.8-35.3178.3-67.8168.4000110.8L227 M230 L231 F234 D243 Y251 Y292 V296L227-I247 HydrophobicContact CD1-CG2 4.04Å; M230-I247 HydrophobicContact CB-CD1 3.92Å; M230-I247 HydrophobicContact CB-CG1 3.59Å; M230-I247 HydrophobicContact CE-CD1 4.21Å; M230-I247 HydrophobicContact CE-CG1 4.13Å; M230-I247 HydrophobicContact CG-CG1 4.36Å; L231-I247 HydrophobicContact CD2-CG2 3.91Å; L231-I247 HydrophobicContact CG-CG2 4.44Å; F234-I247 HydrophobicContact CB-CD1 4.28Å; F234-I247 HydrophobicContact CD2-CD1 3.62Å; F234-I247 HydrophobicContact CE2-CD1 4.4Å; F234-I247 HydrophobicContact CG-CD1 4.33Å; D243-I247 WeakPolarHBondContact O-CB 3.42Å; D243-I247 WeakPolarHBondContact O-CD1 3.43Å; D243-I247 WeakPolarHBondContact O-CG1 3.41Å; D243-I247 PolarHBondContact O-N 2.96Å; I247-Y251 WeakPolarHBondContact O-CB 3.39Å; I247-Y251 PolarHBondContact O-N 3.01Å; I247-Y292 HydrophobicContact CG2-CD2 3.76Å; I247-Y292 HydrophobicContact CG2-CE2 3.87Å; I247-V296 HydrophobicContact CG2-CG2 4.22Å
248K92.1Very high90.9Very high123 Ų12371.3 Ų71.354%0.53535%0.345SS..Hα-helixtrans-72.8-36.9175.9-175.9179.3178.9-175.80112.3K244 E245 L246 N252K244-K248 VanDerWaalsContact O-CB 3.26Å; K244-K248 WeakPolarHBondContact O-CB 3.45Å; K244-K248 PolarHBondContact O-N 3.22Å; E245-K248 WeakPolarHBondContact O-CB 3.41Å; E245-K248 PolarHBondContact O-N 2.74Å; L246-K248 PolarHBondContact O-N 3.39Å; K248-N252 PolarHBondContact O-N 3.05Å; K248-N252 VanDerWaalsContact O-N 3.16Å; K248-N252 PolarHBondContact O-ND2 3.36Å
249E94.8Very high91.8Very high120 Ų12070.7 Ų70.756%0.56134%0.337SS*.Hα-helixtrans-64.1-48.9172-174.9163.8-137.700110.9E245 L246 Y251 N252 D253E245-E249 PolarHBondContact O-N 3.49Å; L246-E249 PolarHBondContact O-N 3.09Å; E249-Y251 VanDerWaalsContact C-N 3.32Å; E249-Y251 PolarHBondContact O-N 2.84Å; E249-N252 WeakPolarHBondContact O-CB 3.3Å; E249-N252 PolarHBondContact O-N 2.96Å; E249-D253 PolarHBondContact O-N 2.8Å
250L93.2Very high92.3Very high16 Ų1672.9 Ų72.98%0.08435%0.35CS..Hα-helixtrans-56.4-41.5175.6-72.9165.6000112.9L226 L227 M230 L246 D253 C254L226-L250 HydrophobicContact CD2-CD1 4.19Å; L226-L250 HydrophobicContact CD2-CD2 3.84Å; L226-L250 HydrophobicContact CG-CD1 3.88Å; L226-L250 HydrophobicContact CG-CD2 4.15Å; L227-L250 HydrophobicContact CB-CB 4.37Å; L227-L250 HydrophobicContact CD1-CB 4.04Å; M230-L250 HydrophobicContact CG-CD1 4.33Å; L246-L250 HydrophobicContact CD1-CD1 4.28Å; L246-L250 HydrophobicContact CD1-CG 4.41Å; L246-L250 HydrophobicContact CG-CD1 4.07Å; L246-L250 WeakPolarHBondContact O-CB 3.49Å; L246-L250 WeakPolarHBondContact O-CG 3.27Å; L246-L250 PolarHBondContact O-N 3.2Å; L250-D253 PolarHBondContact O-N 3.48Å; L250-C254 WeakPolarHBondContact O-CB 3.48Å; L250-C254 PolarHBondContact O-N 2.99Å; L250-C254 PolarHBondContact O-SG 3.14Å; L250-C254 VanDerWaalsContact O-SG 3.38Å
251Y94.5Very high92.6Very high34 Ų3469.7 Ų69.713%0.13333%0.331CS..Hα-helixtrans-60.3-45.6173166.3-94.9000112.6I247 E249 D253 C254 D255 I289 Y292 K293I247-Y251 WeakPolarHBondContact O-CB 3.39Å; I247-Y251 PolarHBondContact O-N 3.01Å; E249-Y251 VanDerWaalsContact C-N 3.32Å; E249-Y251 PolarHBondContact O-N 2.84Å; Y251-D253 VanDerWaalsContact C-N 3.32Å; Y251-D253 PolarHBondContact O-N 3.48Å; Y251-C254 PolarHBondContact O-N 2.84Å; Y251-D255 PolarHBondContact O-N 2.88Å; Y251-D255 VanDerWaalsContact O-N 3.12Å; Y251-I289 HydrophobicContact CE2-CB 4.41Å; Y251-I289 HydrophobicContact CE2-CG1 4.47Å; Y251-I289 HydrophobicContact CE2-CG2 3.88Å; Y251-Y292 HydrophobicContact CD1-CD1 4.23Å; Y251-Y292 AromaticContact CD1-CE1 3.88Å; Y251-Y292 HydrophobicContact CD1-CE1 3.88Å; Y251-Y292 AromaticContact CD2-CD1 3.13Å; Y251-Y292 HydrophobicContact CD2-CD1 3.13Å; Y251-Y292 HydrophobicContact CD2-CD2 4.11Å; Y251-Y292 AromaticContact CD2-CE1 3.67Å; Y251-Y292 HydrophobicContact CD2-CE1 3.67Å; Y251-Y292 AromaticContact CD2-CG 3.4Å; Y251-Y292 HydrophobicContact CD2-CG 3.4Å; Y251-Y292 VanDerWaalsContact CD2-CG 3.4Å; Y251-Y292 HydrophobicContact CE1-CD1 4.49Å; Y251-Y292 HydrophobicContact CE1-CE1 4.15Å; Y251-Y292 AromaticContact CE2-CD1 3.44Å; Y251-Y292 HydrophobicContact CE2-CD1 3.44Å; Y251-Y292 VanDerWaalsContact CE2-CD1 3.44Å; Y251-Y292 AromaticContact CE2-CE1 3.91Å; Y251-Y292 HydrophobicContact CE2-CE1 3.91Å; Y251-Y292 HydrophobicContact CE2-CG 4.12Å; Y251-Y292 AromaticContact CG-CD1 3.57Å; Y251-Y292 HydrophobicContact CG-CD1 3.57Å; Y251-Y292 HydrophobicContact CG-CD2 4.05Å; Y251-Y292 AromaticContact CG-CE1 3.64Å; Y251-Y292 HydrophobicContact CG-CE1 3.64Å; Y251-Y292 HydrophobicContact CG-CE2 4.1Å; Y251-Y292 AromaticContact CG-CG 3.8Å; Y251-Y292 HydrophobicContact CG-CG 3.8Å; Y251-Y292 AromaticContact CG-CZ 3.91Å; Y251-K293 HydrophobicContact CE2-CG 4.31Å; Y251-K293 WeakPolarHBondContact OH-CE 3.27Å
252N95.1Very high92.9Very high75 Ų7570.1 Ų70.140%0.40133%0.331SS..Hα-helixtrans-65.6-36178.6-75.6-66000111.8K248 E249 D255 K256K248-N252 PolarHBondContact O-N 3.05Å; K248-N252 VanDerWaalsContact O-N 3.16Å; K248-N252 PolarHBondContact O-ND2 3.36Å; E249-N252 WeakPolarHBondContact O-CB 3.3Å; E249-N252 PolarHBondContact O-N 2.96Å; N252-D255 PolarHBondContact O-N 3.44Å; N252-K256 VanDerWaalsContact O-CG 3.3Å; N252-K256 WeakPolarHBondContact O-CG 3.22Å; N252-K256 PolarHBondContact O-N 3.21Å; N252-K256 VanDerWaalsContact O-N 3.12Å
253D94.4Very high93.1Very high56 Ų5669.5 Ų69.530%0.29933%0.326SS..Hα-helixtrans-70.6-39.3175.5-81-4.2000112.6E249 L250 Y251 D255 K256 L257E249-D253 PolarHBondContact O-N 2.8Å; L250-D253 PolarHBondContact O-N 3.48Å; Y251-D253 VanDerWaalsContact C-N 3.32Å; Y251-D253 PolarHBondContact O-N 3.48Å; D253-D255 VanDerWaalsContact C-N 3.28Å; D253-D255 PolarHBondContact O-N 3.03Å; D253-K256 PolarHBondContact O-N 2.76Å; D253-K256 WeakPolarHBondContact OD1-CD 3.34Å; D253-K256 WeakPolarHBondContact OD1-CE 3.49Å; D253-K256 IonicContact OD1-NZ 3.68Å; D253-K256 PolarHBondContact OD1-NZ 3.46Å; D253-L257 WeakPolarHBondContact O-CB 3.3Å; D253-L257 VanDerWaalsContact O-CG 3.28Å; D253-L257 WeakPolarHBondContact O-CG 3.49Å; D253-L257 PolarHBondContact O-N 3.16Å
254C95.3Very high93.2Very high0 Ų067.4 Ų67.40%032%0.315CS..Hα-helixtrans-57.1-39.6170.1-76.90000112.1L227 L250 Y251 L257 R258 L285 I289L227-C254 HydrophobicContact CD2-CB 4.3Å; L250-C254 WeakPolarHBondContact O-CB 3.48Å; L250-C254 PolarHBondContact O-N 2.99Å; L250-C254 PolarHBondContact O-SG 3.14Å; L250-C254 VanDerWaalsContact O-SG 3.38Å; Y251-C254 PolarHBondContact O-N 2.84Å; C254-L257 PolarHBondContact O-N 3.35Å; C254-R258 WeakPolarHBondContact O-CB 3.42Å; C254-R258 PolarHBondContact O-N 3.02Å; C254-L285 HydrophobicContact CB-CD2 3.93Å; C254-I289 HydrophobicContact CB-CD1 4.19Å; C254-I289 HydrophobicContact CB-CG1 3.96Å
255D93.7Very high93.2Very high38 Ų3865.7 Ų65.720%0.20331%0.312CS..Hα-helixtrans-70.5-41.2176.8-164.871.7000113.2Y251 N252 D253 L257 R258 Q259 I289Y251-D255 PolarHBondContact O-N 2.88Å; Y251-D255 VanDerWaalsContact O-N 3.12Å; N252-D255 PolarHBondContact O-N 3.44Å; D253-D255 VanDerWaalsContact C-N 3.28Å; D253-D255 PolarHBondContact O-N 3.03Å; D255-L257 VanDerWaalsContact C-N 3.3Å; D255-L257 PolarHBondContact O-N 2.93Å; D255-R258 WeakPolarHBondContact O-CB 3.38Å; D255-R258 PolarHBondContact O-N 3.48Å; D255-R258 IonicContact OD1-CZ 3.31Å; D255-R258 IonicContact OD1-NE 2.72Å; D255-R258 PolarHBondContact OD1-NE 3.31Å; D255-R258 VanDerWaalsContact OD1-NE 3.14Å; D255-R258 IonicContact OD1-NH2 3.53Å; D255-R258 PolarHBondContact OD1-NH2 2.85Å; D255-Q259 WeakPolarHBondContact O-CG 3.16Å; D255-Q259 PolarHBondContact O-N 3Å; D255-Q259 VanDerWaalsContact O-N 3.11Å; D255-Q259 PolarHBondContact OD2-NE2 2.96Å; D255-I289 HydrophobicContact CB-CD1 4.36Å
256K95.4Very high93.1Very high114 Ų11463.4 Ų63.450%0.49631%0.307SS..Hα-helixtrans-58.6-42.9172.2-65.2165.2-155.1164.90111.3N252 D253 Q259 T260N252-K256 VanDerWaalsContact O-CG 3.3Å; N252-K256 WeakPolarHBondContact O-CG 3.22Å; N252-K256 PolarHBondContact O-N 3.21Å; N252-K256 VanDerWaalsContact O-N 3.12Å; D253-K256 PolarHBondContact O-N 2.76Å; D253-K256 WeakPolarHBondContact OD1-CD 3.34Å; D253-K256 WeakPolarHBondContact OD1-CE 3.49Å; D253-K256 IonicContact OD1-NZ 3.68Å; D253-K256 PolarHBondContact OD1-NZ 3.46Å; K256-Q259 PolarHBondContact O-N 3.48Å; K256-T260 PolarHBondContact O-N 3.29Å; K256-T260 VanDerWaalsContact O-N 3.13Å; K256-T260 PolarHBondContact O-OG1 3.01Å
257L94.9Very high92.7Very high30 Ų3063 Ų6316%0.15730%0.303CS..Hα-helixtrans-65.4-39.9176.6-74.1170.5000111.3A219 V220 D253 C254 D255 Q259 T260 V261 L285A219-L257 HydrophobicContact CB-CD2 4.31Å; V220-L257 HydrophobicContact CG2-CB 3.91Å; V220-L257 HydrophobicContact CG2-CD1 4.18Å; V220-L257 HydrophobicContact CG2-CD2 4.25Å; V220-L257 HydrophobicContact CG2-CG 4.35Å; D253-L257 WeakPolarHBondContact O-CB 3.3Å; D253-L257 VanDerWaalsContact O-CG 3.28Å; D253-L257 WeakPolarHBondContact O-CG 3.49Å; D253-L257 PolarHBondContact O-N 3.16Å; C254-L257 PolarHBondContact O-N 3.35Å; D255-L257 VanDerWaalsContact C-N 3.3Å; D255-L257 PolarHBondContact O-N 2.93Å; L257-Q259 VanDerWaalsContact C-N 3.34Å; L257-Q259 PolarHBondContact O-N 2.92Å; L257-T260 CarbonylContact O-C 3.52Å; L257-T260 WeakPolarHBondContact O-CA 3.38Å; L257-T260 WeakPolarHBondContact O-CB 3.3Å; L257-T260 PolarHBondContact O-N 3.27Å; L257-V261 WeakPolarHBondContact O-CG2 3.47Å; L257-V261 PolarHBondContact O-N 2.74Å; L257-L285 HydrophobicContact CB-CD1 4.31Å; L257-L285 HydrophobicContact CB-CD2 4.34Å
258R95.3Very high92.3Very high88 Ų8863.4 Ų63.433%0.33231%0.306SS..Hα-helixtrans-59.8-42.1176.6-170.3174.163.9110.14112.5C254 D255 T260 V261 F262 N282 L285 I289C254-R258 WeakPolarHBondContact O-CB 3.42Å; C254-R258 PolarHBondContact O-N 3.02Å; D255-R258 WeakPolarHBondContact O-CB 3.38Å; D255-R258 PolarHBondContact O-N 3.48Å; D255-R258 IonicContact OD1-CZ 3.31Å; D255-R258 IonicContact OD1-NE 2.72Å; D255-R258 PolarHBondContact OD1-NE 3.31Å; D255-R258 VanDerWaalsContact OD1-NE 3.14Å; D255-R258 IonicContact OD1-NH2 3.53Å; D255-R258 PolarHBondContact OD1-NH2 2.85Å; R258-T260 VanDerWaalsContact C-N 3.29Å; R258-T260 PolarHBondContact O-N 2.92Å; R258-V261 PolarHBondContact O-N 3.04Å; R258-F262 WeakPolarHBondContact O-CB 3.38Å; R258-F262 PolarHBondContact O-N 2.92Å; R258-N282 WeakPolarHBondContact CG-OD1 3.49Å; R258-L285 HydrophobicContact CB-CB 4.39Å; R258-L285 HydrophobicContact CB-CD1 3.95Å; R258-L285 HydrophobicContact CG-CB 4.48Å; R258-I289 HydrophobicContact CB-CD1 4.34Å
259Q94Very high91.4Very high121 Ų12166.4 Ų66.457%0.56532%0.322SS*.Hα-helixtrans-63.3-36.5172.8-62.2172.83700111.8D255 K256 L257 K263D255-Q259 WeakPolarHBondContact O-CG 3.16Å; D255-Q259 PolarHBondContact O-N 3Å; D255-Q259 VanDerWaalsContact O-N 3.11Å; D255-Q259 PolarHBondContact OD2-NE2 2.96Å; K256-Q259 PolarHBondContact O-N 3.48Å; L257-Q259 VanDerWaalsContact C-N 3.34Å; L257-Q259 PolarHBondContact O-N 2.92Å; Q259-K263 PolarHBondContact O-N 3.13Å; Q259-K263 VanDerWaalsContact O-N 3.16Å
260T93.6Very high90.2Very high62 Ų6266 Ų6638%0.3832%0.323SS..Hα-helixtrans-71.8-41.7178.3-53.40000112.3T216 K256 L257 R258 K263 L264T216-T260 HydrophobicContact CG2-CG2 3.99Å; K256-T260 PolarHBondContact O-N 3.29Å; K256-T260 VanDerWaalsContact O-N 3.13Å; K256-T260 PolarHBondContact O-OG1 3.01Å; L257-T260 CarbonylContact O-C 3.52Å; L257-T260 WeakPolarHBondContact O-CA 3.38Å; L257-T260 WeakPolarHBondContact O-CB 3.3Å; L257-T260 PolarHBondContact O-N 3.27Å; R258-T260 VanDerWaalsContact C-N 3.29Å; R258-T260 PolarHBondContact O-N 2.92Å; T260-K263 PolarHBondContact O-N 3.47Å; T260-L264 PolarHBondContact O-N 3.36Å
261V94.3Very high89.4Confident0 Ų068.5 Ų68.50%034%0.337CS..Hα-helixtrans-62.9-44.6174.6169.50000111T216 V220 L257 R258 K263 L264 A265 I278 N282 L285T216-V261 HydrophobicContact CG2-CG2 4.37Å; V220-V261 HydrophobicContact CG2-CG2 3.73Å; L257-V261 WeakPolarHBondContact O-CG2 3.47Å; L257-V261 PolarHBondContact O-N 2.74Å; R258-V261 PolarHBondContact O-N 3.04Å; V261-K263 VanDerWaalsContact C-N 3.3Å; V261-K263 PolarHBondContact O-N 3.27Å; V261-L264 WeakPolarHBondContact O-CB 3.28Å; V261-L264 PolarHBondContact O-N 2.93Å; V261-L264 VanDerWaalsContact O-N 3.13Å; V261-A265 PolarHBondContact O-N 3.27Å; V261-I278 HydrophobicContact CG1-CG2 3.81Å; V261-I278 WeakPolarHBondContact CG1-O 3.4Å; V261-I278 WeakPolarHBondContact O-CG2 3.4Å; V261-N282 HydrophobicContact CG1-CB 3.79Å; V261-L285 HydrophobicContact CB-CD1 4.46Å; V261-L285 HydrophobicContact CG2-CD1 3.96Å
262F92.6Very high88.7Confident135 Ų13574 Ų7459%0.59237%0.369SS*.Hα-helixtrans-59.7-40.7174.7-177.7-93.3000112.1R258 A265 T266R258-F262 WeakPolarHBondContact O-CB 3.38Å; R258-F262 PolarHBondContact O-N 2.92Å; F262-A265 PolarHBondContact O-N 3.21Å; F262-T266 PolarHBondContact O-N 3.4Å; F262-T266 PolarHBondContact O-OG1 2.63Å
263K91.6Very high88Confident125 Ų12574.4 Ų74.454%0.54338%0.378SS..Hα-helixtrans-64.3-41.5173.4178.2167.1172.7168.80112.2Q259 T260 V261 A265 T266 E267Q259-K263 PolarHBondContact O-N 3.13Å; Q259-K263 VanDerWaalsContact O-N 3.16Å; T260-K263 PolarHBondContact O-N 3.47Å; V261-K263 VanDerWaalsContact C-N 3.3Å; V261-K263 PolarHBondContact O-N 3.27Å; K263-A265 PolarHBondContact O-N 2.84Å; K263-T266 CarbonylContact O-C 3.54Å; K263-T266 WeakPolarHBondContact O-CB 3.22Å; K263-T266 PolarHBondContact O-N 3.03Å; K263-T266 VanDerWaalsContact O-N 3.09Å; K263-E267 WeakPolarHBondContact CE-OE1 3.32Å; K263-E267 HydrophobicContact CG-CG 4.48Å; K263-E267 IonicContact NZ-OE1 2.69Å; K263-E267 WeakPolarHBondContact O-CG 3.32Å; K263-E267 PolarHBondContact O-N 2.84Å
264L89.9Confident87.4Confident7 Ų772.8 Ų72.84%0.03737%0.37CS..Hα-helixtrans-61.5-41.2174.3-74.6172.6000112.2K212 T216 T260 V261 T266 E267 T268 I278K212-L264 HydrophobicContact CD-CD2 4.24Å; T216-L264 HydrophobicContact CG2-CD1 3.66Å; T260-L264 PolarHBondContact O-N 3.36Å; V261-L264 WeakPolarHBondContact O-CB 3.28Å; V261-L264 PolarHBondContact O-N 2.93Å; V261-L264 VanDerWaalsContact O-N 3.13Å; L264-T266 PolarHBondContact O-N 3.01Å; L264-E267 PolarHBondContact O-N 3.5Å; L264-T268 PolarHBondContact O-N 3.17Å; L264-T268 VanDerWaalsContact O-N 3.11Å; L264-T268 PolarHBondContact O-OG1 3.17Å; L264-I278 HydrophobicContact CB-CD1 4.38Å; L264-I278 HydrophobicContact CB-CG2 4.23Å
265A88.3Confident87.2Confident23 Ų2375.1 Ų75.119%0.1938%0.383CS..Hα-helixtrans-61.4-24174.700000112.9V261 F262 K263 L275 I278V261-A265 PolarHBondContact O-N 3.27Å; F262-A265 PolarHBondContact O-N 3.21Å; K263-A265 PolarHBondContact O-N 2.84Å; A265-L275 HydrophobicContact CB-CD1 4.16Å; A265-I278 HydrophobicContact CB-CG2 3.76Å
266T88Confident87Confident89 Ų8975.3 Ų75.355%0.54639%0.393SS..Hα-helixtrans-89.3-16.8174.8-43.30000112.6F262 K263 L264F262-T266 PolarHBondContact O-N 3.4Å; F262-T266 PolarHBondContact O-OG1 2.63Å; K263-T266 CarbonylContact O-C 3.54Å; K263-T266 WeakPolarHBondContact O-CB 3.22Å; K263-T266 PolarHBondContact O-N 3.03Å; K263-T266 VanDerWaalsContact O-N 3.09Å; L264-T266 PolarHBondContact O-N 3.01Å
267E84.8Confident86.8Confident64 Ų6475.5 Ų75.530%0.29940%0.396SS..Hα-helixtrans-93.3-10.5177-73.2178.6-179.800113.2R209 K212 K263 L264R209-E267 PolarHBondContact NH2-O 3.38Å; K212-E267 IonicContact NZ-OE1 3.03Å; K212-E267 IonicContact NZ-OE2 2.92Å; K212-E267 PolarHBondContact NZ-OE2 3.32Å; K263-E267 WeakPolarHBondContact CE-OE1 3.32Å; K263-E267 HydrophobicContact CG-CG 4.48Å; K263-E267 IonicContact NZ-OE1 2.69Å; K263-E267 WeakPolarHBondContact O-CG 3.32Å; K263-E267 PolarHBondContact O-N 2.84Å; L264-E267 PolarHBondContact O-N 3.5Å
268T83.4Confident86.8Confident11 Ų1174.1 Ų74.17%0.06739%0.389CS..  trans-107.590.4-179.2-60.20000110.4L264 I278L264-T268 PolarHBondContact O-N 3.17Å; L264-T268 VanDerWaalsContact O-N 3.11Å; L264-T268 PolarHBondContact O-OG1 3.17Å; T268-I278 HydrophobicContact CG2-CD1 4.38Å
269E72.2Confident86.7Confident187 Ų18774 Ų7487%0.87439%0.394SS*.  trans-100.1-8.9176.9-61.2-175.5140.400112.9
270D70.6Confident86.7Confident110 Ų11073.4 Ų73.459%0.58839%0.391SS*.SBendtrans-118.62.3-162.656.2-51.8000116.3R209R209-D270 IonicContact CZ-OD1 2.82Å; R209-D270 IonicContact NH1-OD1 2.66Å; R209-D270 PolarHBondContact NH1-OD1 3.33Å; R209-D270 IonicContact NH1-OD2 3.36Å; R209-D270 PolarHBondContact NH1-OD2 3.15Å
271D76.2Confident86.8Confident70 Ų7070.9 Ų70.937%0.37438%0.377SS..  trans-147.6105.9176.5175.510.9000112.5S273 S274 L275D271-S273 VanDerWaalsContact C-N 3.26Å; D271-S273 PolarHBondContact O-N 3.09Å; D271-S273 WeakPolarHBondContact OD1-CA 3.39Å; D271-S273 VanDerWaalsContact OD1-CB 3.3Å; D271-S273 WeakPolarHBondContact OD1-CB 3.46Å; D271-S273 PolarHBondContact OD1-N 2.91Å; D271-S274 PolarHBondContact O-N 2.94Å; D271-S274 PolarHBondContact OD1-N 3.37Å; D271-S274 WeakPolarHBondContact OD2-CB 3.44Å; D271-S274 PolarHBondContact OD2-N 2.72Å; D271-S274 PolarHBondContact OD2-OG 3.02Å; D271-L275 PolarHBondContact O-N 3.49Å
272D79.8Confident86.8Confident149 Ų14972.1 Ų72.180%0.79738%0.384SS*.Hα-helixtrans-59.4-31.9177-69.5-32.4000113.2G276D272-G276 PolarHBondContact O-N 3.23Å; D272-G276 VanDerWaalsContact O-N 3.07Å
273S78.9Confident86.9Confident84 Ų8470.7 Ų70.759%0.58738%0.382SS*.Hα-helixtrans-73.8-45.5-179-166.30000110.6D271 L275 G276 E277D271-S273 VanDerWaalsContact C-N 3.26Å; D271-S273 PolarHBondContact O-N 3.09Å; D271-S273 WeakPolarHBondContact OD1-CA 3.39Å; D271-S273 VanDerWaalsContact OD1-CB 3.3Å; D271-S273 WeakPolarHBondContact OD1-CB 3.46Å; D271-S273 PolarHBondContact OD1-N 2.91Å; S273-L275 VanDerWaalsContact C-N 3.33Å; S273-L275 PolarHBondContact O-N 3.2Å; S273-G276 PolarHBondContact O-N 3.24Å; S273-E277 PolarHBondContact O-N 2.96Å
274S83.6Confident87.1Confident21 Ų2167.7 Ų67.715%0.14737%0.372CS..Hα-helixtrans-59.6-42.4171.5-79.50000112.1Q213 D271 G276 E277 I278Q213-S274 PolarHBondContact NE2-OG 3.06Å; D271-S274 PolarHBondContact O-N 2.94Å; D271-S274 PolarHBondContact OD1-N 3.37Å; D271-S274 WeakPolarHBondContact OD2-CB 3.44Å; D271-S274 PolarHBondContact OD2-N 2.72Å; D271-S274 PolarHBondContact OD2-OG 3.02Å; S274-G276 VanDerWaalsContact C-N 3.3Å; S274-G276 PolarHBondContact O-N 3.05Å; S274-E277 PolarHBondContact O-N 3.44Å; S274-I278 WeakPolarHBondContact O-CD1 3.33Å; S274-I278 VanDerWaalsContact O-CG1 3.23Å; S274-I278 WeakPolarHBondContact O-CG1 3.48Å; S274-I278 PolarHBondContact O-N 2.63Å; S274-I278 VanDerWaalsContact O-N 3.08Å
275L89.7Confident87.4Confident50 Ų5067.3 Ų67.326%0.26237%0.37SS..Hα-helixtrans-61-40.3177.6-175.960.8000111.6A265 D271 S273 I278 L279A265-L275 HydrophobicContact CB-CD1 4.16Å; D271-L275 PolarHBondContact O-N 3.49Å; S273-L275 VanDerWaalsContact C-N 3.33Å; S273-L275 PolarHBondContact O-N 3.2Å; L275-I278 PolarHBondContact O-N 2.83Å; L275-L279 HydrophobicContact CD1-CD1 4.4Å; L275-L279 HydrophobicContact CD1-CG 4.34Å; L275-L279 HydrophobicContact CG-CD1 4.11Å; L275-L279 HydrophobicContact CG-CG 4.48Å; L275-L279 WeakPolarHBondContact O-CG 3.26Å; L275-L279 PolarHBondContact O-N 3.44Å
276G90.1Very high87.7Confident41 Ų4167.7 Ų67.742%0.42337%0.371SS..Hα-helixtrans-58.1-46.1174.300000113.7D272 S273 S274 I278 L279 Q280D272-G276 PolarHBondContact O-N 3.23Å; D272-G276 VanDerWaalsContact O-N 3.07Å; S273-G276 PolarHBondContact O-N 3.24Å; S274-G276 VanDerWaalsContact C-N 3.3Å; S274-G276 PolarHBondContact O-N 3.05Å; G276-I278 PolarHBondContact O-N 3.39Å; G276-L279 PolarHBondContact O-N 3.4Å; G276-Q280 PolarHBondContact O-N 3.39Å
277E92.1Very high88.1Confident118 Ų11866.8 Ų66.855%0.55137%0.369SS*.Hα-helixtrans-63.9-39.3176.4-66.5-172.9176.300112.4L217 S273 S274 A281L217-E277 HydrophobicContact CD1-CB 4.04Å; S273-E277 PolarHBondContact O-N 2.96Å; S274-E277 PolarHBondContact O-N 3.44Å; E277-A281 WeakPolarHBondContact O-CB 3.45Å; E277-A281 PolarHBondContact O-N 2.9Å; E277-A281 VanDerWaalsContact O-N 3.11Å
278I93.6Very high88.6Confident1 Ų163.8 Ų63.81%0.00535%0.354CS..Hα-helixtrans-67-38.9178.3-62.8162.9000111.2Q213 L217 V261 L264 A265 T268 S274 L275 G276 N282Q213-I278 HydrophobicContact CG-CD1 4.1Å; Q213-I278 HydrophobicContact CG-CG1 4.18Å; L217-I278 HydrophobicContact CD2-CG1 4.26Å; V261-I278 HydrophobicContact CG1-CG2 3.81Å; V261-I278 WeakPolarHBondContact CG1-O 3.4Å; V261-I278 WeakPolarHBondContact O-CG2 3.4Å; L264-I278 HydrophobicContact CB-CD1 4.38Å; L264-I278 HydrophobicContact CB-CG2 4.23Å; A265-I278 HydrophobicContact CB-CG2 3.76Å; T268-I278 HydrophobicContact CG2-CD1 4.38Å; S274-I278 WeakPolarHBondContact O-CD1 3.33Å; S274-I278 VanDerWaalsContact O-CG1 3.23Å; S274-I278 WeakPolarHBondContact O-CG1 3.48Å; S274-I278 PolarHBondContact O-N 2.63Å; S274-I278 VanDerWaalsContact O-N 3.08Å; L275-I278 PolarHBondContact O-N 2.83Å; G276-I278 PolarHBondContact O-N 3.39Å; I278-N282 PolarHBondContact O-N 3.24Å
279L93.3Very high89.1Confident86 Ų8663.4 Ų63.445%0.4535%0.352SS..Hα-helixtrans-69.2-44.9177.3-69.5173.7000111.9L275 G276 A281 N282 D283L275-L279 HydrophobicContact CD1-CD1 4.4Å; L275-L279 HydrophobicContact CD1-CG 4.34Å; L275-L279 HydrophobicContact CG-CD1 4.11Å; L275-L279 HydrophobicContact CG-CG 4.48Å; L275-L279 WeakPolarHBondContact O-CG 3.26Å; L275-L279 PolarHBondContact O-N 3.44Å; G276-L279 PolarHBondContact O-N 3.4Å; L279-A281 VanDerWaalsContact C-N 3.28Å; L279-A281 PolarHBondContact O-N 3.03Å; L279-N282 WeakPolarHBondContact O-CA 3.39Å; L279-N282 VanDerWaalsContact O-CB 3.28Å; L279-N282 WeakPolarHBondContact O-CB 3.46Å; L279-N282 PolarHBondContact O-N 3.35Å; L279-D283 PolarHBondContact O-N 2.84Å; L279-D283 VanDerWaalsContact O-N 3.1Å
280Q94.4Very high90.1Very high108 Ų10857.9 Ų57.951%0.50533%0.329SS..Hα-helixtrans-57.6-41.6175-176.963.564.600111.7G276 N282 D283 D284G276-Q280 PolarHBondContact O-N 3.39Å; Q280-N282 PolarHBondContact O-N 2.84Å; Q280-D283 PolarHBondContact O-N 3.34Å; Q280-D284 PolarHBondContact NE2-OD1 3.47Å; Q280-D284 WeakPolarHBondContact O-CB 3.3Å; Q280-D284 VanDerWaalsContact O-CG 3.31Å; Q280-D284 PolarHBondContact O-N 3.08Å
281A95.2Very high91Very high9 Ų954.4 Ų54.47%0.07431%0.313CS..Hα-helixtrans-63.9-26.4175.800000113.4L217 V220 E277 L279 L285L217-A281 HydrophobicContact CD2-CB 3.5Å; V220-A281 HydrophobicContact CG1-CB 3.97Å; E277-A281 WeakPolarHBondContact O-CB 3.45Å; E277-A281 PolarHBondContact O-N 2.9Å; E277-A281 VanDerWaalsContact O-N 3.11Å; L279-A281 VanDerWaalsContact C-N 3.28Å; L279-A281 PolarHBondContact O-N 3.03Å; A281-L285 WeakPolarHBondContact O-CD1 3.48Å; A281-L285 VanDerWaalsContact O-CG 3.22Å; A281-L285 WeakPolarHBondContact O-CG 3.26Å; A281-L285 PolarHBondContact O-N 3.23Å
282N94.8Very high91.8Very high27 Ų2751.7 Ų51.714%0.14430%0.297CS..Hα-helixtrans-75.6-40.4174.9-158.9-20.3000111.8R258 V261 I278 L279 Q280 S286R258-N282 WeakPolarHBondContact CG-OD1 3.49Å; V261-N282 HydrophobicContact CG1-CB 3.79Å; I278-N282 PolarHBondContact O-N 3.24Å; L279-N282 WeakPolarHBondContact O-CA 3.39Å; L279-N282 VanDerWaalsContact O-CB 3.28Å; L279-N282 WeakPolarHBondContact O-CB 3.46Å; L279-N282 PolarHBondContact O-N 3.35Å; Q280-N282 PolarHBondContact O-N 2.84Å; N282-S286 VanDerWaalsContact O-CB 3.31Å; N282-S286 WeakPolarHBondContact O-CB 3.39Å; N282-S286 PolarHBondContact O-N 3.48Å; N282-S286 PolarHBondContact O-OG 2.62Å
283D95.3Very high92.3Very high104 Ų10447 Ų4756%0.55627%0.27SS*.Hα-helixtrans-66-42.9175.4-70.3-25000111.2L279 Q280 L285 S286 S287L279-D283 PolarHBondContact O-N 2.84Å; L279-D283 VanDerWaalsContact O-N 3.1Å; Q280-D283 PolarHBondContact O-N 3.34Å; D283-L285 PolarHBondContact O-N 3.08Å; D283-S286 PolarHBondContact O-N 3.06Å; D283-S287 WeakPolarHBondContact O-CB 3.18Å; D283-S287 PolarHBondContact O-N 2.64Å
284D95.6Very high92.8Very high62 Ų6250.1 Ų50.133%0.33227%0.273SS..Hα-helixtrans-58.4-47.5174.8-75.27.1000111.9V224 Q280 S287 A288V224-D284 HydrophobicContact CG1-CB 4.43Å; V224-D284 HydrophobicContact CG2-CB 4.46Å; Q280-D284 PolarHBondContact NE2-OD1 3.47Å; Q280-D284 WeakPolarHBondContact O-CB 3.3Å; Q280-D284 VanDerWaalsContact O-CG 3.31Å; Q280-D284 PolarHBondContact O-N 3.08Å; D284-S287 WeakPolarHBondContact O-CB 3.45Å; D284-S287 PolarHBondContact O-N 3.31Å; D284-A288 PolarHBondContact O-N 3.17Å
285L96.3Very high92.8Very high0 Ų052.7 Ų52.70%028%0.284CS..Hα-helixtrans-61.1-45.5174.2-75.8166.5000112V220 V224 C254 L257 R258 V261 A281 D283 S287 A288 I289V220-L285 HydrophobicContact CB-CD1 4.47Å; V220-L285 HydrophobicContact CG1-CD1 3.8Å; V220-L285 HydrophobicContact CG1-CD2 3.89Å; V220-L285 HydrophobicContact CG1-CG 3.57Å; V220-L285 HydrophobicContact CG2-CD1 3.8Å; V220-L285 HydrophobicContact CG2-CD2 4.35Å; V220-L285 HydrophobicContact CG2-CG 4.34Å; V224-L285 HydrophobicContact CG2-CD2 3.69Å; V224-L285 HydrophobicContact CG2-CG 4.1Å; C254-L285 HydrophobicContact CB-CD2 3.93Å; L257-L285 HydrophobicContact CB-CD1 4.31Å; L257-L285 HydrophobicContact CB-CD2 4.34Å; R258-L285 HydrophobicContact CB-CB 4.39Å; R258-L285 HydrophobicContact CB-CD1 3.95Å; R258-L285 HydrophobicContact CG-CB 4.48Å; V261-L285 HydrophobicContact CB-CD1 4.46Å; V261-L285 HydrophobicContact CG2-CD1 3.96Å; A281-L285 WeakPolarHBondContact O-CD1 3.48Å; A281-L285 VanDerWaalsContact O-CG 3.22Å; A281-L285 WeakPolarHBondContact O-CG 3.26Å; A281-L285 PolarHBondContact O-N 3.23Å; D283-L285 PolarHBondContact O-N 3.08Å; L285-S287 VanDerWaalsContact C-N 3.28Å; L285-S287 PolarHBondContact O-N 3.47Å; L285-A288 PolarHBondContact O-N 2.88Å; L285-I289 VanDerWaalsContact O-CB 3.3Å; L285-I289 WeakPolarHBondContact O-CB 3.42Å; L285-I289 WeakPolarHBondContact O-CD1 3.36Å; L285-I289 VanDerWaalsContact O-CG1 3.24Å; L285-I289 WeakPolarHBondContact O-CG1 3.42Å; L285-I289 PolarHBondContact O-N 2.69Å
286S95Very high92.5Very high31 Ų3152.7 Ų52.722%0.21729%0.286CS..Hα-helixtrans-63.9-36.6-179-630000111.3N282 D283 N290N282-S286 VanDerWaalsContact O-CB 3.31Å; N282-S286 WeakPolarHBondContact O-CB 3.39Å; N282-S286 PolarHBondContact O-N 3.48Å; N282-S286 PolarHBondContact O-OG 2.62Å; D283-S286 PolarHBondContact O-N 3.06Å; S286-N290 VanDerWaalsContact O-CB 3.29Å; S286-N290 WeakPolarHBondContact O-CB 3.41Å; S286-N290 PolarHBondContact O-N 3.28Å; S286-N290 PolarHBondContact O-ND2 3.05Å; S286-N290 VanDerWaalsContact O-ND2 3.12Å
287S95.4Very high92.1Very high70 Ų7054.9 Ų54.949%0.4929%0.285SS..Hα-helixtrans-64.2-46.3172.7-170.70000112.5D283 D284 L285 N290 S291D283-S287 WeakPolarHBondContact O-CB 3.18Å; D283-S287 PolarHBondContact O-N 2.64Å; D284-S287 WeakPolarHBondContact O-CB 3.45Å; D284-S287 PolarHBondContact O-N 3.31Å; L285-S287 VanDerWaalsContact C-N 3.28Å; L285-S287 PolarHBondContact O-N 3.47Å; S287-N290 PolarHBondContact O-N 3.24Å; S287-S291 WeakPolarHBondContact O-CB 3.45Å; S287-S291 PolarHBondContact O-N 2.71Å; S287-S291 PolarHBondContact O-OG 3.04Å
288A94.3Very high90.9Very high0 Ų052 Ų520%029%0.287CS..Hα-helixtrans-67.1-42.7178.500000112.7V224 L227 D284 L285 N290 S291 Y292V224-A288 HydrophobicContact CG1-CB 4.21Å; V224-A288 HydrophobicContact CG2-CB 4.25Å; L227-A288 HydrophobicContact CD2-CB 4.16Å; D284-A288 PolarHBondContact O-N 3.17Å; L285-A288 PolarHBondContact O-N 2.88Å; A288-N290 VanDerWaalsContact C-N 3.33Å; A288-N290 PolarHBondContact O-N 3.41Å; A288-S291 WeakPolarHBondContact O-CB 3.41Å; A288-S291 PolarHBondContact O-N 3.21Å; A288-S291 VanDerWaalsContact O-N 3.16Å; A288-Y292 PolarHBondContact O-N 2.72Å
289I94.3Very high89.2Confident4 Ų456.9 Ų56.92%0.02131%0.31CS..Hα-helixtrans-60.4-41.4175-74.9167000111.1Y251 C254 D255 R258 L285 K293Y251-I289 HydrophobicContact CE2-CB 4.41Å; Y251-I289 HydrophobicContact CE2-CG1 4.47Å; Y251-I289 HydrophobicContact CE2-CG2 3.88Å; C254-I289 HydrophobicContact CB-CD1 4.19Å; C254-I289 HydrophobicContact CB-CG1 3.96Å; D255-I289 HydrophobicContact CB-CD1 4.36Å; R258-I289 HydrophobicContact CB-CD1 4.34Å; L285-I289 VanDerWaalsContact O-CB 3.3Å; L285-I289 WeakPolarHBondContact O-CB 3.42Å; L285-I289 WeakPolarHBondContact O-CD1 3.36Å; L285-I289 VanDerWaalsContact O-CG1 3.24Å; L285-I289 WeakPolarHBondContact O-CG1 3.42Å; L285-I289 PolarHBondContact O-N 2.69Å; I289-K293 WeakPolarHBondContact O-CG 3.49Å; I289-K293 PolarHBondContact O-N 3.45Å
290N93.1Very high86.9Confident71 Ų7158.2 Ų58.238%0.3833%0.327SS..Hα-helixtrans-70-34.9175.4-74.2-22.4000112.3S286 S287 A288 K293 K294 I301S286-N290 VanDerWaalsContact O-CB 3.29Å; S286-N290 WeakPolarHBondContact O-CB 3.41Å; S286-N290 PolarHBondContact O-N 3.28Å; S286-N290 PolarHBondContact O-ND2 3.05Å; S286-N290 VanDerWaalsContact O-ND2 3.12Å; S287-N290 PolarHBondContact O-N 3.24Å; A288-N290 VanDerWaalsContact C-N 3.33Å; A288-N290 PolarHBondContact O-N 3.41Å; N290-K293 PolarHBondContact O-N 2.7Å; N290-K294 WeakPolarHBondContact O-CB 3.31Å; N290-K294 PolarHBondContact O-N 2.98Å; N290-I301 HydrophobicContact CB-CD1 3.64Å
291S90.9Very high84.6Confident36 Ų3657.9 Ų57.925%0.25233%0.327SS..Hα-helixtrans-65.4-43.9176.1-610000111.7S287 A288 K293 K294 I295S287-S291 WeakPolarHBondContact O-CB 3.45Å; S287-S291 PolarHBondContact O-N 2.71Å; S287-S291 PolarHBondContact O-OG 3.04Å; A288-S291 WeakPolarHBondContact O-CB 3.41Å; A288-S291 PolarHBondContact O-N 3.21Å; A288-S291 VanDerWaalsContact O-N 3.16Å; S291-K293 PolarHBondContact O-N 2.94Å; S291-K294 PolarHBondContact O-N 2.91Å; S291-I295 WeakPolarHBondContact O-CB 3.33Å; S291-I295 WeakPolarHBondContact O-CG1 3.32Å; S291-I295 PolarHBondContact O-N 2.86Å
292Y92Very high82.3Confident14 Ų1463.6 Ų63.66%0.05537%0.366CS..Hα-helixtrans-55.4-49.7171170.5-86.1000111.7L227 L231 I247 Y251 A288 K294 I295 V296 E297L227-Y292 HydrophobicContact CD1-CD2 4.4Å; L231-Y292 HydrophobicContact CD2-CD2 4.32Å; I247-Y292 HydrophobicContact CG2-CD2 3.76Å; I247-Y292 HydrophobicContact CG2-CE2 3.87Å; Y251-Y292 HydrophobicContact CD1-CD1 4.23Å; Y251-Y292 AromaticContact CD1-CE1 3.88Å; Y251-Y292 HydrophobicContact CD1-CE1 3.88Å; Y251-Y292 AromaticContact CD2-CD1 3.13Å; Y251-Y292 HydrophobicContact CD2-CD1 3.13Å; Y251-Y292 HydrophobicContact CD2-CD2 4.11Å; Y251-Y292 AromaticContact CD2-CE1 3.67Å; Y251-Y292 HydrophobicContact CD2-CE1 3.67Å; Y251-Y292 AromaticContact CD2-CG 3.4Å; Y251-Y292 HydrophobicContact CD2-CG 3.4Å; Y251-Y292 VanDerWaalsContact CD2-CG 3.4Å; Y251-Y292 HydrophobicContact CE1-CD1 4.49Å; Y251-Y292 HydrophobicContact CE1-CE1 4.15Å; Y251-Y292 AromaticContact CE2-CD1 3.44Å; Y251-Y292 HydrophobicContact CE2-CD1 3.44Å; Y251-Y292 VanDerWaalsContact CE2-CD1 3.44Å; Y251-Y292 AromaticContact CE2-CE1 3.91Å; Y251-Y292 HydrophobicContact CE2-CE1 3.91Å; Y251-Y292 HydrophobicContact CE2-CG 4.12Å; Y251-Y292 AromaticContact CG-CD1 3.57Å; Y251-Y292 HydrophobicContact CG-CD1 3.57Å; Y251-Y292 HydrophobicContact CG-CD2 4.05Å; Y251-Y292 AromaticContact CG-CE1 3.64Å; Y251-Y292 HydrophobicContact CG-CE1 3.64Å; Y251-Y292 HydrophobicContact CG-CE2 4.1Å; Y251-Y292 AromaticContact CG-CG 3.8Å; Y251-Y292 HydrophobicContact CG-CG 3.8Å; Y251-Y292 AromaticContact CG-CZ 3.91Å; A288-Y292 PolarHBondContact O-N 2.72Å; Y292-K294 VanDerWaalsContact C-N 3.29Å; Y292-K294 PolarHBondContact O-N 2.66Å; Y292-I295 PolarHBondContact O-N 2.89Å; Y292-V296 HydrophobicContact CD2-CB 4.13Å; Y292-V296 HydrophobicContact CD2-CG2 3.8Å; Y292-V296 HydrophobicContact CE2-CB 3.98Å; Y292-V296 HydrophobicContact CE2-CG1 3.99Å; Y292-V296 HydrophobicContact CE2-CG2 3.96Å; Y292-V296 HydrophobicContact CG-CB 4.5Å; Y292-V296 HydrophobicContact CG-CG2 4.4Å; Y292-V296 WeakPolarHBondContact O-CB 3.31Å; Y292-V296 PolarHBondContact O-N 3.29Å; Y292-E297 HydrophobicContact CD1-CG 4.39Å; Y292-E297 HydrophobicContact CE1-CG 3.77Å
293K90.9Very high80.1Confident49 Ų4965.7 Ų65.721%0.21340%0.395CS..Hα-helixtrans-62.6-35.3-178.7-70.9176.6-179.9173.40113.1Y251 I289 N290 S291 E297 G298 Q299Y251-K293 HydrophobicContact CE2-CG 4.31Å; Y251-K293 WeakPolarHBondContact OH-CE 3.27Å; I289-K293 WeakPolarHBondContact O-CG 3.49Å; I289-K293 PolarHBondContact O-N 3.45Å; N290-K293 PolarHBondContact O-N 2.7Å; S291-K293 PolarHBondContact O-N 2.94Å; K293-E297 CarbonylContact O-C 3.55Å; K293-E297 WeakPolarHBondContact O-CB 3.33Å; K293-E297 PolarHBondContact O-N 3.15Å; K293-G298 PolarHBondContact O-N 3.4Å; K293-G298 VanDerWaalsContact O-N 3.09Å; K293-Q299 HydrophobicContact CB-CB 4.5Å; K293-Q299 PolarHBondContact O-N 2.87Å
294K88.8Confident77.1Confident151 Ų15168.8 Ų68.866%0.65741%0.412SS*.Hα-helixtrans-72.1-40177.3-174.3178.3178.1-178.90112.5N290 S291 Y292N290-K294 WeakPolarHBondContact O-CB 3.31Å; N290-K294 PolarHBondContact O-N 2.98Å; S291-K294 PolarHBondContact O-N 2.91Å; Y292-K294 VanDerWaalsContact C-N 3.29Å; Y292-K294 PolarHBondContact O-N 2.66Å
295I84.6Confident74.4Confident74 Ų7470 Ų7038%0.37943%0.43SS..Hα-helixtrans-89.2-41.2-171.8-66.9167.8000112.3L231 F234 S291 Y292L231-I295 HydrophobicContact CB-CD1 4.15Å; L231-I295 HydrophobicContact CD2-CB 4.21Å; L231-I295 HydrophobicContact CD2-CG2 4.06Å; F234-I295 HydrophobicContact CB-CG2 4.38Å; F234-I295 HydrophobicContact CD1-CG2 3.74Å; F234-I295 HydrophobicContact CG-CG2 4.45Å; S291-I295 WeakPolarHBondContact O-CB 3.33Å; S291-I295 WeakPolarHBondContact O-CG1 3.32Å; S291-I295 PolarHBondContact O-N 2.86Å; Y292-I295 PolarHBondContact O-N 2.89Å
296V83.7Confident71.5Confident50 Ų5076.9 Ų76.930%0.30347%0.466SS..THydrogen-bonded Turntrans-100.1-45.8-173.2-174.10000111.9L231 F234 I247 Y292L231-V296 HydrophobicContact CD2-CG2 3.49Å; L231-V296 VanDerWaalsContact CD2-CG2 3.49Å; F234-V296 HydrophobicContact CD1-CG2 4.06Å; F234-V296 HydrophobicContact CE1-CB 4.3Å; F234-V296 HydrophobicContact CE1-CG1 4.33Å; F234-V296 HydrophobicContact CE1-CG2 3.9Å; F234-V296 HydrophobicContact CG-CG2 4.42Å; F234-V296 HydrophobicContact CZ-CB 4.45Å; F234-V296 HydrophobicContact CZ-CG1 4.01Å; F234-V296 HydrophobicContact CZ-CG2 4.14Å; I247-V296 HydrophobicContact CG2-CG2 4.22Å; Y292-V296 HydrophobicContact CD2-CB 4.13Å; Y292-V296 HydrophobicContact CD2-CG2 3.8Å; Y292-V296 HydrophobicContact CE2-CB 3.98Å; Y292-V296 HydrophobicContact CE2-CG1 3.99Å; Y292-V296 HydrophobicContact CE2-CG2 3.96Å; Y292-V296 HydrophobicContact CG-CB 4.5Å; Y292-V296 HydrophobicContact CG-CG2 4.4Å; Y292-V296 WeakPolarHBondContact O-CB 3.31Å; Y292-V296 PolarHBondContact O-N 3.29Å
297E80.6Confident68.6Low87 Ų8782 Ų8241%0.40750%0.497SS..SBendtrans-87.7-6.3179.3-55.6-170.7160.500113.5Y292 K293 Q299Y292-E297 HydrophobicContact CD1-CG 4.39Å; Y292-E297 HydrophobicContact CE1-CG 3.77Å; K293-E297 CarbonylContact O-C 3.55Å; K293-E297 WeakPolarHBondContact O-CB 3.33Å; K293-E297 PolarHBondContact O-N 3.15Å; E297-Q299 HydrophobicContact CB-CG 4.23Å; E297-Q299 PolarHBondContact O-N 3.26Å; E297-Q299 PolarHBondContact OE2-NE2 2.96Å
298G67.6Low65.8Low58 Ų5882.3 Ų82.360%0.59850%0.503SS*.  trans65.615.7-179.800000115.2K293 S300K293-G298 PolarHBondContact O-N 3.4Å; K293-G298 VanDerWaalsContact O-N 3.09Å; G298-S300 PolarHBondContact O-N 3.44Å
299Q56.9Low62.8Low104 Ų10491.8 Ų91.849%0.48655%0.547SS..  trans-76.5112.3-177.6-67.8-172.914.400111.4K293 E297 I301K293-Q299 HydrophobicContact CB-CB 4.5Å; K293-Q299 PolarHBondContact O-N 2.87Å; E297-Q299 HydrophobicContact CB-CG 4.23Å; E297-Q299 PolarHBondContact O-N 3.26Å; E297-Q299 PolarHBondContact OE2-NE2 2.96Å; Q299-I301 PolarHBondContact O-N 3.15Å; Q299-I301 VanDerWaalsContact O-N 3.12Å
300S46.1Very low59.7Low113 Ų11395.2 Ų95.279%0.7958%0.584SS**  trans-74.596.5167.644.90000110.6G298 S302G298-S300 PolarHBondContact O-N 3.44Å; S300-S302 PolarHBondContact O-N 3.21Å
301I46Very low56.7Low102 Ų10298 Ų9852%0.52360%0.604SS.*  trans-61108.7167.5-55.7174.5000107.5N290 Q299 G303N290-I301 HydrophobicContact CB-CD1 3.64Å; Q299-I301 PolarHBondContact O-N 3.15Å; Q299-I301 VanDerWaalsContact O-N 3.12Å; I301-G303 PolarHBondContact O-N 3.41Å
302S46.3Very low53.7Low128 Ų128105.4 Ų105.490%0.89563%0.634SS**  trans-74.1108-177.2-169.80000109.6S300S300-S302 PolarHBondContact O-N 3.21Å
303G48.5Very low50.6Low72 Ų72111 Ų11174%0.74267%0.67SS**  trans1793.2-172.200000120.6I301I301-G303 PolarHBondContact O-N 3.41Å
304D33Very low48.1Very low169 Ų169114.4 Ų114.490%0.90470%0.697SS**  trans-159.5159.9151.4-152.9-0.2000111.7
305A38.2Very low45.1Very low86 Ų86112 Ų11271%0.71171%0.705SS**  trans-123.5109.3-17800000112V307A305-V307 PolarHBondContact O-N 2.87Å
306D35.8Very low42.3Very low145 Ų145114.4 Ų114.478%0.77572%0.724SS**  trans-60125.6177171.431.8000113.5A308D306-A308 PolarHBondContact OD1-N 2.98Å
307V33.1Very low39.6Very low140 Ų140121.1 Ų121.185%0.84875%0.752SS**  trans-144.6115.3146-177.40000109.9A305A305-V307 PolarHBondContact O-N 2.87Å
308A36.4Very low37Very low76 Ų76120.6 Ų120.663%0.62877%0.77SS**  trans-108.1140.5167.900000113.1D306D306-A308 PolarHBondContact OD1-N 2.98Å
309Q32.7Very low35.1Very low198 Ų198123.3 Ų123.393%0.92578%0.78SS**  trans68.3133.2167.7-54.9-171.5-0.100118.8
310G28.6Very low33.7Very low76 Ų76127.7 Ų127.778%0.78480%0.8SS**  trans175.249.5179.600000115.3Q312G310-Q312 PolarHBondContact O-N 2.85Å
311T29.6Very low32.9Very low131 Ų131126 Ų12680%0.80480%0.8SS**  trans-75.9115.9-171.4-51.90000114.1
312Q28.6Very low32Very low191 Ų191127.4 Ų127.489%0.89381%0.814SS**  trans-171.9143.3135.3-105.7151108.900115.2G310G310-Q312 PolarHBondContact O-N 2.85Å
313T27Very low31.4Very low131 Ų131127.5 Ų127.580%0.80480%0.804SS**  trans-89.6-175.4169.454.90000111.1
314P37.5Very low30.7Very low121 Ų121132.8 Ų132.879%0.78681%0.807SS**  cis-132.3170.2-10.839.4-23.7000115.2
315A25.6Very low30.8Very low100 Ų100130.2 Ų130.283%0.82680%0.802SS**  trans-161.1156.2151.600000111.6
316T26.7Very low30.8Very low125 Ų125135.2 Ų135.277%0.76781%0.811SS**  trans-146151.3-170.6-69.50000112.2
317Q27.5Very low30.8Very low190 Ų190135.8 Ų135.889%0.88881%0.812SS**  trans80.7145.8169-81.2161.229.500120.5
318G24.9Very low31Very low76 Ų76137.5 Ų137.578%0.78482%0.816SS**  trans90.297.4170.300000114.5
319S28Very low31.1Very low116 Ų116141.3 Ų141.381%0.81182%0.824SS**  cis94.6133.334.1-163.80000114.5
320E27.7Very low31.1Very low196 Ų196137.7 Ų137.792%0.91681%0.811SS**  trans80.8146.6177.2-50.9-165.415400118.3
321G28.6Very low31.2Very low77 Ų77141.8 Ų141.879%0.79481%0.814SS**  trans137.835.1173.800000119
322T28.8Very low31.6Very low131 Ų131140.1 Ų140.180%0.80480%0.803SS**  trans-57.2165-171.6-1.90000117.7
323N32.4Very low31.6Very low131 Ų131134.7 Ų134.770%0.70180%0.799SS**  trans96.3130.8172.4-58.3-88.3000114.9
324K33.5Very low31.8Very low182 Ų182135.1 Ų135.179%0.79180%0.795SS**  cis-161163.64-121165.5-173.1170.40111.7
325S36.6Very low31.5Very low116 Ų116135.9 Ų135.981%0.81179%0.793SS**  trans8457161.6-50.60000119.6
326E36.6Very low31.8Very low190 Ų190136.5 Ų136.589%0.88879%0.786SS**  trans-109.5144.3136.8-73.5-171.7128.800108.9
327I36.2Very low31.9Very low158 Ų158140.2 Ų140.281%0.8179%0.792SS**  trans-173.8133.2148.4-101.7156.4000108.3I329I327-I329 HydrophobicContact CG2-CG1 4.4Å
328L37.6Very low31.8Very low175 Ų175136.4 Ų136.492%0.91679%0.786SS**  trans-77.2143.5172.6-65.7159000109.8
329I37.9Very low32.4Very low157 Ų157138.1 Ų138.181%0.80578%0.784SS**  trans-119.6112.8169.3-66.6-178.1000109.2I327I327-I329 HydrophobicContact CG2-CG1 4.4Å
330D33.7Very low32.2Very low121 Ų121137.3 Ų137.365%0.64778%0.778SS**  trans-76.2159.8163.1169.348.7000110.7V332D330-V332 VanDerWaalsContact CG-N 3.26Å; D330-V332 PolarHBondContact OD1-N 3.29Å; D330-V332 WeakPolarHBondContact OD2-CA 3.45Å; D330-V332 PolarHBondContact OD2-N 3.02Å
331L30.2Very low32Very low162 Ų162136.4 Ų136.485%0.84877%0.774SS**  trans-128.452.8165.3-15377.7000113.7
332V38.1Very low31.9Very low96 Ų96140.4 Ų140.458%0.58277%0.771SS**  66.7111.4128.8178.80000117.3D330 L334D330-V332 VanDerWaalsContact CG-N 3.26Å; D330-V332 PolarHBondContact OD1-N 3.29Å; D330-V332 WeakPolarHBondContact OD2-CA 3.45Å; D330-V332 PolarHBondContact OD2-N 3.02Å; V332-L334 HydrophobicContact CG1-CG 4.39Å
333G28.7Very low31.7Very low77 Ų77141.5 Ų141.579%0.79477%0.768SS**  trans-124.4-1.7172.400000117.1
334L30.9Very low31.6Very low140 Ų140140.5 Ų140.573%0.73377%0.768SS**  trans67.6118174.6-65.8166.1000119.5V332V332-L334 HydrophobicContact CG1-CG 4.39Å
335D32.4Very low31.2Very low137 Ų137140.4 Ų140.473%0.73377%0.77SS**  39.9146.4119.4-69.40.5000122.8
336T31.7Very low30.6Very low113 Ų113140.4 Ų140.469%0.69377%0.766SS**  cis-164.9160-6.425.90000112.2
337K27.7Very low30.1Very low204 Ų204136.5 Ų136.589%0.88776%0.76SS**  trans72.6140.9151.9-90.7176.8176.2170.60122.1
338S25Very low29.7Very low110 Ų110134.1 Ų134.177%0.76976%0.757SS**  trans-80.1-179.9175-18.70000113.4
339P37.3Very low29.3Very low112 Ų112132.7 Ų132.773%0.72775%0.749SS**  cis-137.1-176.9-141.6-24.1000116.2
340S23.8Very low28.8Very low99 Ų99130.9 Ų130.969%0.69275%0.745SS**  trans79.8119.6150.4-60.10000121.9
341Q25.3Very low28.6Very low176 Ų176134 Ų13482%0.82275%0.753SS**  trans69.4154139.2-66.1-175.8-49.300122.2
342H25.9Very low28.5Very low161 Ų161130.3 Ų130.375%0.74574%0.741SS**  trans74.6161.8164.5-84.1-80.3000120.8
343E24.9Very low28Very low155 Ų155128.6 Ų128.672%0.72474%0.743SS**  trans-54.1166.8-158.7-80.1149.595.600119.7
344P28.7Very low27.8Very low109 Ų109132 Ų13271%0.70874%0.743SS**  trans-77.6-179175.135.4-38.7000113.2
345Q26Very low27.7Very low180 Ų180131.6 Ų131.684%0.84174%0.741SS**  trans77.7148.3-177.6-40.1176.724.900112.5
346T23.2Very low27.5Very low117 Ų117132 Ų13272%0.71874%0.742SS**  cis-142.2152.422.232.10000113.8
347S27.2Very low27.2Very low108 Ų108133 Ų13376%0.75575%0.752SS**  trans33.4128.1134.6-46.30000122.5
348S27.2Very low27Very low107 Ų107126.4 Ų126.475%0.74874%0.743SS**  -154.1102.2129.6-156.50000111
349L30.1Very low27.2Very low146 Ų146126.5 Ų126.576%0.76474%0.743SS**  70.7135.7100.3-62.6-163000114.3
350V27.5Very low26.7Very low118 Ų118127.1 Ų127.172%0.71575%0.745SS**  cis-156.4-178.5-15.2-87.90000106
351F28.6Very low26.8Very low186 Ų186127.7 Ų127.782%0.81674%0.744SS**  cis-150.6-159.515.5-164.6-112.3000109.5
352S28.9Very low27Very low85 Ų85124.9 Ų124.959%0.59474%0.74SS**  -148.8162.4-112.6-63.80000108.6
353G26.3Very low27Very low60 Ų60123.4 Ų123.462%0.61974%0.737SS**  cis167.5-173.61.500000109.8
354D25.6Very low27.1Very low150 Ų150121.9 Ų121.980%0.80273%0.733SS**  trans60152.4160.8-62.6-0.1000119.9
355L28Very low27.1Very low130 Ų130124.3 Ų124.368%0.68174%0.735SS**  cis-160.1149.8-22.8-105.9170.1000108.5
356L28.4Very low27.2Very low147 Ų147120.2 Ų120.277%0.7773%0.727SS**  trans52.3129.5147.1-72.4165.7000123.4
357C26.1Very low27.4Very low132 Ų132123.8 Ų123.889%0.89273%0.732SS**  trans75.3143.5132.7-162.40000120.3
358G24Very low27.4Very low67 Ų67124 Ų12469%0.69173%0.729SS**  trans128.6103.2137.900000117.2
359S29Very low27.4Very low112 Ų112123.6 Ų123.678%0.78373%0.732SS**  trans-43.9170.8167.5-45.10000117.8
360T25.3Very low27.4Very low125 Ų125120.9 Ų120.977%0.76773%0.731SS**  trans117.1130.4145.566.70000119.3
361T26.6Very low28.5Very low110 Ų110121 Ų12168%0.67573%0.734SS**  trans59.2126.5139.754.40000122.8
362T28.6Very low29.6Very low118 Ų118117.7 Ų117.772%0.72473%0.731SS**  trans59148.8131.664.20000120
363D27Very low29.7Very low130 Ų130118.9 Ų118.970%0.69574%0.74SS**  cis-161.5172.7-0.7-126.8-23.9000113
364L27.1Very low29.9Very low123 Ų123120.4 Ų120.464%0.64475%0.746SS**  trans36.6125.7144.2-64.1164.7000123.3
365Q29Very low30Very low159 Ų159117.6 Ų117.674%0.74374%0.744SS**  82.597.7124-72.5-178.6-6.800124.4
366S28Very low30.2Very low95 Ų95118.9 Ų118.966%0.66475%0.751SS**  92.4147.310085.70000123.4
367K27.3Very low30.2Very low191 Ų191117.9 Ų117.983%0.8376%0.756SS**  trans68147153.7-68-169.2177.1177.50118.7
368T25.9Very low30.4Very low114 Ų114118.6 Ų118.670%0.69975%0.75SS**  cis-165.5136.8-10.9-98.70000111.1
369A27.9Very low30.6Very low97 Ų97123.2 Ų123.280%0.80276%0.758SS**  trans59.7162.4162.600000117.9
370A30.4Very low30.8Very low90 Ų90125.8 Ų125.874%0.74476%0.763SS**  cis-142.6169.64.600000111.4
371P49.7Very low31.1Very low120 Ų120128.5 Ų128.578%0.77977%0.767SS**  trans-103.5-165-172.645.3-38.4000111.9
372P52.8Low31.5Very low116 Ų116132.6 Ų132.675%0.75378%0.779SS**  cis-135171.1-4.241.1-24.7000116.5
373S31.1Very low31.7Very low111 Ų111135.1 Ų135.178%0.77679%0.787SS**  145.7141.3114.3-159.60000115.8
374A29.5Very low31.9Very low92 Ų92137 Ų13776%0.7680%0.796SS**  trans48.4115.6156.500000121.3
375A27.4Very low32.1Very low91 Ų91136.4 Ų136.475%0.75280%0.802SS**  162.3124.498.200000114.2
376L32.5Very low32.3Very low156 Ų156137 Ų13782%0.81781%0.81SS**  trans58.995.7150.4-56.5176.3000119.8
377S28.4Very low32.4Very low127 Ų127135.6 Ų135.689%0.88881%0.81SS**  trans-135.2124.6134.6-72.90000108.7
378L30.7Very low32.7Very low147 Ų147135 Ų13577%0.7782%0.815SS**  trans-138.9139.5175.1-69.5168.3000104.3
379L28.9Very low33.2Very low163 Ų163137.5 Ų137.585%0.85382%0.824SS**  cis-134.5135.117.4-62.1156.4000109.8
380D31.9Very low33.4Very low167 Ų167139.8 Ų139.889%0.89382%0.823SS**  trans-156.539164.9-157.618.9000112.1
381E32.3Very low34.2Very low181 Ų181141.2 Ų141.285%0.84682%0.824SS**  trans-145.494175-80.2-156.4116.300112
382E34.8Very low33.2Very low197 Ų197138.3 Ų138.392%0.92182%0.816SS**SBendtrans-159.173.7148.6-89.3-140.4122.200110.2
383L33.4Very low33.3Very low171 Ų171138.8 Ų138.890%0.89582%0.819SS**SBendtrans-17314.2151.1-107.5165.4000115.8
384L31.7Very low33.2Very low170 Ų170139.3 Ų139.389%0.8982%0.817SS**  trans-11664.1178.1-90.7171.3000113.8
385S30.8Very low33.2Very low110 Ų110140.8 Ų140.877%0.76982%0.817SS**  trans-163.5144.8159.1-84.40000107.5
386L32.8Very low33.1Very low172 Ų172143 Ų14390%0.90182%0.816SS**  cis-122.5158.321.6-53.8155.6000109.1
387G30.8Very low32.7Very low65 Ų65142.8 Ų142.867%0.6781%0.811SS**  cis112.6132.720.700000109.7
388L33.9Very low32.5Very low177 Ų177141.8 Ų141.893%0.92780%0.804SS**  cis-153.4178.85.4-76.7172.6000111.1
389N34.6Very low32.3Very low168 Ų168139.5 Ų139.590%0.89880%0.8SS**  trans-86.4161.3174-93.70.1000114.4
390D34Very low32Very low145 Ų145138 Ų13878%0.77580%0.798SS**  trans-77.6153.9171.2-170.136.2000112.5
391P45.8Very low31.7Very low120 Ų120135.1 Ų135.178%0.77979%0.791SS**  -146.5157.487.936.3-17.1000117.4
392G29Very low31.5Very low59 Ų59133.3 Ų133.361%0.60879%0.787SS**  trans-76.6-151.3171.900000116.2
393P55.8Low31.5Very low126 Ų126131.8 Ų131.882%0.81878%0.78SS**  cis-143.1-156.216.638.2-13.9000116.1
394V28Very low31.4Very low121 Ų121127.4 Ų127.473%0.73376%0.764SS**  trans112.899.3156.3-174.50000120
395V29.2Very low31.3Very low123 Ų123126 Ų12675%0.74576%0.757SS**  trans49.6116.8130.8-175.40000121.8
396N25.5Very low31.2Very low138 Ų138128.7 Ų128.774%0.73876%0.757SS**  179.2-173.790.9-142.830.4000115.9
397E23.6Very low30.9Very low151 Ų151127.4 Ų127.471%0.70675%0.75SS**  trans-85.9145.3-157.3-59.8167.392.200120.7
398S25.1Very low32Very low106 Ų106129.3 Ų129.374%0.74175%0.751SS**  trans74.4166.3131.379.20000124.4
399S25.8Very low33Very low99 Ų99125.5 Ų125.569%0.69274%0.737SS**  trans9694.5155.175.30000122.1
400T24.4Very low32.9Very low132 Ų132122.2 Ų122.281%0.8173%0.727SS**  48.5157.5123.753.30000125.4
401S24.8Very low32.6Very low107 Ų107124 Ų12475%0.74873%0.73SS**  trans88.2127168.570.60000116.2
402N28.1Very low31.8Very low143 Ų143124.6 Ų124.677%0.76573%0.727SS**  73.4141.252.7-70.3-16.3000112.3
403Q34.6Very low31.9Very low164 Ų164127 Ų12777%0.76674%0.735SS**  cis-164-179.33.1-129.7-173.73500108.9
404S32Very low30.5Very low79 Ų79124.8 Ų124.855%0.55274%0.735SS**  cis-163.6-1642.5-154.70000110.9
405N28.8Very low30.7Very low140 Ų140128.3 Ų128.375%0.74974%0.743SS**  trans84.9135.8159.3-58.6-15.9000118.2
406H28.3Very low30.5Very low168 Ų168130.1 Ų130.178%0.77875%0.749SS**  cis-145.7161.92.2-148.7-87000112.3
407L26.5Very low30.9Very low144 Ų144131 Ų13175%0.75475%0.753SS**  trans-119.6-173.1-179.4-107.880.7000109.8
408P55.1Low30.9Very low105 Ų105128.3 Ų128.368%0.68276%0.756SS**  cis-136.5-134.7-42.440.6-19.8000109.5
409P54.3Low30.9Very low98 Ų98130.2 Ų130.264%0.63676%0.757SS**  cis-138.7164.4-26.137-18.6000118.2
410S31.6Very low31Very low99 Ų99134.4 Ų134.469%0.69276%0.763SS**  trans63.1169.1139.670.20000119.6
411Q29.2Very low30.9Very low181 Ų181134.6 Ų134.685%0.84676%0.76SS**  cis-164.9167.46.7-146.4159.90.700108.9
412D28.1Very low31Very low133 Ų133134 Ų13471%0.71176%0.755SS**  -165.4168.2-51.3-179.951.1000110.1
413S32Very low30.8Very low110 Ų110132.7 Ų132.777%0.76976%0.757SS**  trans71149.7159.8-78.50000121.1
414G26.2Very low30.6Very low79 Ų79132.8 Ų132.881%0.81476%0.762SS**  trans159.9102.916800000116.6
415Q31.6Very low31.6Very low195 Ų195134.1 Ų134.191%0.91177%0.769SS**  trans-125.2134.5159.1-65.2178.11.600108
416D24.4Very low32.9Very low161 Ų161133.4 Ų133.486%0.86177%0.772SS**  trans-173.6-178.5136.4-133.2-41.5000113.5
417L33.8Very low33.1Very low158 Ų158129.2 Ų129.283%0.82777%0.766SS**  trans-118.9139.7-167.6-66.9157.7000115.1
418A24.7Very low33.2Very low94 Ų94131.4 Ų131.478%0.77777%0.77SS**  trans-163.4138.9151.100000108.7
419L23.7Very low31.9Very low145 Ų145133 Ų13376%0.75977%0.773SS**  cis84.991.529.9-66.7175.5000116.5
420F27.9Very low30.7Very low187 Ų187132.5 Ų132.582%0.8278%0.777SS**  trans58.3158.8156-64.4-91.3000117.2
421D23.1Very low30.4Very low137 Ų137135.5 Ų135.573%0.73379%0.785SS**  cis-151.2161.822.5-16421.3000115.2
422S26.9Very low30.2Very low93 Ų93131.9 Ų131.965%0.6578%0.779SS**  trans-35.1153.9173.1-47.70000121.8
423S24.4Very low30.4Very low117 Ų117130.1 Ų130.182%0.81878%0.783SS**  -160.790.5124.968.70000115.1
424L30.5Very low31.1Very low165 Ų165131 Ų13186%0.86479%0.787SS**  trans36.9132.6143.5-73.8155.3000123.7
425P53.1Low31.1Very low108 Ų108132.1 Ų132.170%0.70178%0.782SS**  trans-89.5-178.8158.342.1-36.2000111.5
426P56.2Low31.2Very low125 Ų125130.6 Ų130.681%0.81278%0.779SS**  -124.8-176.386.542.2-36.7000111.2
427A31.4Very low31.5Very low79 Ų79131.5 Ų131.565%0.65378%0.776SS**  cis-149-17311.600000109.4
428F28.6Very low31.2Very low191 Ų191129.7 Ų129.784%0.83876%0.763SS**  cis-155.7-169.54-135.6-26.3000110.7
429D27.6Very low31.5Very low138 Ų138133.2 Ų133.274%0.73876%0.763SS**  trans-84.4171.4-177.6-58.1-70.6000113.4
430A28.8Very low31.7Very low88 Ų88130 Ų13073%0.72776%0.757SS**  cis-161.1172.15.800000108.8
431L25.6Very low31.7Very low162 Ų162128.6 Ų128.685%0.84876%0.758SS**  cis-154.4-133.4-13.2-134175.6000108.8
432S26.1Very low31.8Very low105 Ų105127.1 Ų127.173%0.73476%0.758SS**  trans-157.6140.1-179.7-57.30000116.6
433A31.7Very low31.8Very low96 Ų96129.1 Ų129.179%0.79377%0.766SS**  trans54-169.9145.300000118.6
434P46.3Very low32.1Very low129 Ų129129.9 Ų129.984%0.83877%0.766SS**  cis-129.1-130.7-12.142-22.2000114.1
435S27.8Very low32.7Very low102 Ų102127.8 Ų127.871%0.71376%0.763SS**  trans-122.2161.1-155.3-44.60000117.5
436L32.8Very low31.7Very low163 Ų163126.7 Ų126.785%0.85376%0.763SS**  trans49.9122.1145.2-81.2166.1000122.8
437F31.1Very low31.3Very low180 Ų180126.5 Ų126.579%0.78976%0.761SS**  trans170.5164.1141.7-107.6-142.1000110.2
438Q27Very low31.2Very low119 Ų119126.8 Ų126.856%0.55676%0.764SS**  cis-168.8163.2-33-123.3-162.724.900110.6
439Q30.5Very low31.2Very low169 Ų169124 Ų12479%0.7976%0.762SS**  trans65159.2151.7-77.5-178.33.600120
440A28.6Very low31.3Very low76 Ų76122 Ų12263%0.62876%0.759SS**  cis-161.8148.4-5.100000115.6
441L27.1Very low31.2Very low159 Ų159123.7 Ų123.783%0.83276%0.761SS**  trans54.9141.8139.5-79.5133.2000126.3
442S26.1Very low31.5Very low106 Ų106126.6 Ų126.674%0.74176%0.76SS**  trans82.2150.2157.6-29.10000117.8
443T27.4Very low31.6Very low134 Ų134127.1 Ų127.182%0.82276%0.76SS**  cis-142.2157.86.950.20000113.1
444T30.2Very low31.4Very low133 Ų133128.8 Ų128.882%0.81676%0.76SS**  trans-69.7172155.221.80000111.8
445P44Very low30.8Very low122 Ų122129 Ų12979%0.79276%0.759SS**  cis-136.3-172.418.442.3-22.9000116.7
446A31.1Very low30.9Very low85 Ų85129.1 Ų129.170%0.70277%0.766SS**  trans-77-179.916100000111
447P48.4Very low30.8Very low120 Ų120126.9 Ų126.978%0.77976%0.764SS**  cis-146.5169.715.144.7-25.2000119.5
448A29.4Very low30.9Very low85 Ų85123.8 Ų123.870%0.70277%0.765SS**  trans55.8147.1137.700000125.2
449T28Very low31.2Very low132 Ų132122.5 Ų122.581%0.8177%0.774SS**  trans89.1124.9144.522.30000123.3
450S29.4Very low31.3Very low96 Ų96119.2 Ų119.267%0.67177%0.77SS**  trans90.985133.3-62.70000123.1
451T26.4Very low31.3Very low125 Ų125123.2 Ų123.277%0.76778%0.781SS**  66.8136.9118.958.10000124.1
452R31.6Very low31.4Very low222 Ų222125 Ų12584%0.83878%0.782SS**  trans91.4123.2134.6-98.4-174.4-173.8170.64120.9
453T27.8Very low32.7Very low117 Ų117124.8 Ų124.872%0.71878%0.779SS**  trans40.2135.8133.556.40000119.7
454T28.7Very low32.8Very low130 Ų130122.5 Ų122.580%0.79877%0.774SS**  cis-148165.848.245.80000116
455T32.7Very low32.8Very low134 Ų134124.1 Ų124.182%0.82277%0.77SS**  trans-44.6147.216849.70000117.6
456A30Very low32.1Very low104 Ų104127.3 Ų127.386%0.8677%0.771SS**  trans-150153.1149.200000110
457S32Very low32Very low116 Ų116127.1 Ų127.181%0.81177%0.77SS**  trans-130.4143.8-168.9-52.10000113.6
458S31.8Very low32.6Very low115 Ų115127.2 Ų127.280%0.80477%0.77SS**  trans-173.7124.3149.9-78.20000107.6
459A33.7Very low33.8Very low92 Ų92128.4 Ų128.476%0.7677%0.771SS**  75.1134.954.700000113.1
460S33.5Very low33.9Very low100 Ų100126.5 Ų126.570%0.69977%0.769SS**  cis-176.4159.8-9.247.50000110.5
461N27.9Very low34.1Very low161 Ų161126.6 Ų126.686%0.86178%0.776SS**  trans-160.5150.3137.4-108.5-11.6000114.3
462F29.9Very low34.3Very low195 Ų195126.8 Ų126.886%0.85578%0.776SS**  trans-138.7-171.7-174.2-100.6-63.8000107.7
463P51.7Low34.4Very low102 Ų102120.7 Ų120.766%0.66277%0.773SS**  cis-111.5-142.62.537.3-17.5000111.2F465P463-F465 HydrophobicContact CB-CD2 3.96Å; P463-F465 HydrophobicContact CB-CE2 4.19Å
464A30.7Very low34.5Very low87 Ų87120 Ų12072%0.71977%0.774SS**  cis-165.5163.94.700000109.4
465F30Very low34.5Very low166 Ų166121.3 Ų121.373%0.72878%0.776SS**  cis-168.4152.7-32.9-126.7-63.3000109.7P463P463-F465 HydrophobicContact CB-CD2 3.96Å; P463-F465 HydrophobicContact CB-CE2 4.19Å
466F28.3Very low34.5Very low189 Ų189121.9 Ų121.983%0.82977%0.773SS**  trans70150.5159.5-81.7-69000122.4
467A30Very low34.9Very low82 Ų82122.7 Ų122.768%0.67877%0.769SS**  trans-156.7175.4163.300000107
468P60.6Low35.3Very low121 Ų121122.3 Ų122.379%0.78676%0.764SS**  cis-107.9-119-17.922.13.7000107.3
469P56.1Low35.4Very low111 Ų111122.4 Ų122.472%0.72177%0.765SS**  cis-139.4-179.8-24.443.2-25000117.2
470A29.4Very low35.2Very low91 Ų91124.2 Ų124.275%0.75277%0.766SS**  trans69.1105.4145.800000123
471A32.5Very low35.2Very low99 Ų99126.7 Ų126.782%0.81877%0.77SS**  trans63.6151.6142.500000119.7
472T30.4Very low35.3Very low128 Ų128128.2 Ų128.279%0.78577%0.769SS**  cis-148.5149.522.8500000113.9
473A34.1Very low35.7Very low94 Ų94123.6 Ų123.678%0.77776%0.759SS**  trans60.9147.4151.700000119.3
474S31Very low36.2Very low104 Ų104123.6 Ų123.673%0.72776%0.759SS**  cis-150.4173.118.9-64.30000113.9
475D28.3Very low36.8Very low156 Ų156125.5 Ų125.583%0.83476%0.764SS**  trans81.6163.8152.5-74.5-59.7000122.7
476L32.6Very low36.9Very low147 Ų147125.4 Ų125.477%0.7777%0.77SS**  trans-111.1177.1-151.9-76161.4000112.9
477P39.4Very low37Very low120 Ų120120.3 Ų120.378%0.77977%0.771SS**  cis-126.1170.82.340.2-25000115.9
478P39.9Very low37Very low108 Ų108122 Ų12270%0.70178%0.777SS**  trans-105.3169.8-177.240.5-35.4000115.5
479S33.2Very low35.4Very low118 Ų118120.1 Ų120.183%0.82577%0.772SS**PPolyproline II helixtrans-65.8153168.2-45.30000113.2
480V30.5Very low34Very low129 Ų129122.5 Ų122.578%0.78278%0.778SS**PPolyproline II helixtrans-101.6121.8173.9177.80000111.2F482V480-F482 HydrophobicContact CG1-CD2 4.35Å
481I32.8Very low34Very low152 Ų152124 Ų12478%0.77978%0.778SS**PPolyproline II helixtrans-101143.7163.1-65.5170.2000107.6P483I481-P483 WeakPolarHBondContact O-CD 3.19Å
482F29.8Very low33.8Very low193 Ų193123.6 Ų123.685%0.84678%0.775SS**  trans-109.5113.7174.6-120.7-74.8000112.2V480V480-F482 HydrophobicContact CG1-CD2 4.35Å
483P38.9Very low33.7Very low99 Ų99122.4 Ų122.464%0.64378%0.778SS**  trans-100.1-179.7168.138.1-31.3000112.1I481I481-P483 WeakPolarHBondContact O-CD 3.19Å
484P62.1Low33.6Very low102 Ų102122.3 Ų122.366%0.66278%0.777SS**  trans-105168-143.541.6-40.7000117.7
485P42.4Very low34.4Very low126 Ų126123.4 Ų123.482%0.81878%0.782SS**  trans-46.6138.8135.440.8-21.4000120.4
486L33.6Very low34.5Very low165 Ų165121 Ų12186%0.86478%0.783SS**  trans-110.1150.9142-100.976.2000108.5
487G28.4Very low34.2Very low81 Ų81117.4 Ų117.484%0.83578%0.782SS**  trans-173.6107.4175.800000113.7
488S30.3Very low34.5Very low117 Ų117118.1 Ų118.182%0.81879%0.787SS**  trans-92.9162.8-165.4-49.50000116
489A27.9Very low34.2Very low82 Ų82118.1 Ų118.168%0.67879%0.789SS**  trans92.8123.7134.100000122
490L27.4Very low34.9Very low161 Ų161118.1 Ų118.184%0.84379%0.787SS**  trans70.1155.8145.6-56.6165.1000116.8
491T27.6Very low35.1Very low122 Ų122116 Ų11675%0.74878%0.778SS**  cis-156.8148.73.3-9.20000113.1
492A29.2Very low35Very low91 Ų91116.3 Ų116.375%0.75278%0.776SS**  trans55.9139.8137.500000125.7
493A28.8Very low35.2Very low103 Ų103111.5 Ų111.585%0.85177%0.766SS**  trans83.8139.4138.600000122.2
494A31.3Very low34.8Very low93 Ų93112.9 Ų112.977%0.76977%0.772SS**  trans-100.2-179.1164.200000109.6
495P48.1Very low33.2Very low127 Ų127114.1 Ų114.183%0.82578%0.778SS**  -153.9-172.270.442.3-21.9000116.6
496A29.5Very low32.7Very low104 Ų104112.1 Ų112.186%0.8677%0.772SS**  trans116.3134.2156.500000117
497G28.1Very low33.3Very low73 Ų73110.1 Ų110.175%0.75377%0.769SS**  trans-110.9-146.8173.700000111.7
498P43.9Very low33.6Very low134 Ų134110.7 Ų110.787%0.8777%0.766SS**  cis-131.8-17621.642.3-25.9000116.3
499S34.1Very low33.4Very low108 Ų108115 Ų11576%0.75577%0.771SS**  trans-103.8170.6172.1-44.70000112.5
500P48.7Very low33.4Very low118 Ų118116 Ų11677%0.76677%0.772SS**  -134139.2103.31012.6000112.9
501S33.7Very low33.6Very low86 Ų86113.4 Ų113.460%0.60177%0.774SS**  65.5133.376.971.60000114.9
502H32.3Very low33.5Very low158 Ų158111.7 Ų111.773%0.73178%0.78SS**  -154.113553.4-84.4-81.8000112.6
503S32.3Very low33.5Very low92 Ų92119 Ų11964%0.64379%0.789SS**  56.7135.386.973.10000115.7
504V30.3Very low33.5Very low127 Ų127123.8 Ų123.877%0.7779%0.793SS**  -156123.455.6165.10000110.1
505T29.4Very low33.3Very low128 Ų128127.7 Ų127.779%0.78580%0.795SS**  85.5132.980.7-37.50000116.2
506A32.8Very low32.4Very low84 Ų84127.6 Ų127.669%0.69479%0.792SS**  trans-91.7-176.6173.200000112.9
507P45.2Very low32.2Very low124 Ų124127.6 Ų127.681%0.80579%0.786SS**  -147.9172.6108.339.4-24.9000115.3
508A33.7Very low32.2Very low93 Ų93131.6 Ų131.677%0.76979%0.789SS**  trans-109.7157.8166.900000111
509F26.3Very low31.8Very low208 Ų208131.4 Ų131.491%0.91279%0.788SS**  trans-145.3167.6167.7-117.3-84.7000111.7
510S28.7Very low31.4Very low101 Ų101129 Ų12971%0.70678%0.781SS**  trans-127160.7-157.152.80000115.3
511A31.1Very low30.4Very low107 Ų107127.9 Ų127.988%0.88478%0.781SS**  trans55.5109.9158.100000119.5
512G26.2Very low29.9Very low86 Ų86133.9 Ų133.989%0.88780%0.796SS**  trans-143.9119.3162.900000111.1
513R29.6Very low29.7Very low246 Ų246135.2 Ų135.293%0.92880%0.803SS**  trans-116.8117.2-175.4178.6-169.5-173.6-170.34.6110.1
514Q28.2Very low30.1Very low203 Ų203136.1 Ų136.195%0.94981%0.807SS**  trans-148175.5165.7-112.7166.436.300112.3
515H27.1Very low29.8Very low175 Ų175135 Ų13581%0.8181%0.811SS**  trans-133-174.2-155.3-167.7-107.6000110.3
516V28.7Very low29.7Very low125 Ų125135.3 Ų135.376%0.75881%0.812SS**  trans79.7131.8178.8-176.30000113.6
517S26.3Very low29.4Very low104 Ų104137 Ų13773%0.72782%0.818SS**  cis-162.7159-17.8-98.80000111.1
518L27.9Very low28.5Very low156 Ų156136.3 Ų136.382%0.81782%0.817SS**  trans-84160.9158.6-11877.5000109.9
519P35.9Very low28.1Very low131 Ų131140.2 Ų140.285%0.85182%0.824SS**  -135.9-177.15239.9-22.2000114
520G25.8Very low28.2Very low58 Ų58135 Ų13560%0.59881%0.813SS**  cis-163.9145-3.500000109.2
521A26.3Very low28.1Very low93 Ų93137.8 Ų137.877%0.76982%0.815SS**  6687.787.400000115.2
522F24.5Very low28Very low212 Ų212138.8 Ų138.893%0.9381%0.805SS**  trans-154.1110.2146.5-98.7-62.3000112.8
523Q26.5Very low28.2Very low187 Ų187140.9 Ų140.987%0.87480%0.795SS**  trans-157.9164160.8-93.2-163.11.800106.4
524P41.5Very low28.1Very low111 Ų111137.9 Ų137.972%0.72179%0.792SS**  cis-121.1177.1-12.939.3-26.2000112.2
525A24.5Very low28.1Very low103 Ų103135 Ų13585%0.85178%0.783SS**  trans-147129155.600000109.8
526V27.8Very low28.2Very low135 Ų135135.2 Ų135.282%0.81879%0.789SS**  trans-112.2135.4175.6-151.70000108
527S26.1Very low28.2Very low118 Ų118133.5 Ų133.583%0.82579%0.788SS**  trans-151.9104.1167.458.30000110.7
528S25.1Very low28.3Very low110 Ų110136.7 Ų136.777%0.76979%0.793SS**  trans-70.5143170.6-51.50000110.7
529L26.3Very low28.4Very low176 Ų176136.9 Ų136.992%0.92180%0.795SS**  trans-136.791.6156-109171.2000109.5
530S27.6Very low27.9Very low97 Ų97137.3 Ų137.368%0.67879%0.79SS**  trans-88.1134.2172.951.20000110.5
531H28Very low28Very low160 Ų160142 Ų14274%0.74180%0.801SS**  trans-161.1128.3150.7-107.7-61.6000112.5
532N28.6Very low27.9Very low128 Ų128141.7 Ų141.768%0.68481%0.806SS**  trans64.5142.8146.9-61.54.4000118.7
533L29.1Very low28Very low130 Ų130135.3 Ų135.368%0.68180%0.8SS**  cis-153.8131.6-3.5-121.3164.4000109.2D535L533-D535 HydrophobicContact CD2-CB 4.49Å
534Q28.4Very low28.1Very low183 Ų183131.4 Ų131.486%0.85579%0.794SS**  trans-89126.5149-95.589.13.500107.6
535D27.2Very low27.5Very low144 Ų144132.5 Ų132.577%0.7779%0.793SS**  trans-161.1119.6143.7-120.4-29.8000110.6L533L533-D535 HydrophobicContact CD2-CB 4.49Å
536L29Very low27.6Very low179 Ų179135.5 Ų135.594%0.93780%0.795SS**  trans-161.359.5171.6-132.1-180000111.8
537A28.9Very low27.6Very low89 Ų89137 Ų13774%0.73679%0.793SS**  trans-152.4107.2168.800000111.7
538M28.8Very low27.6Very low170 Ų170137.2 Ų137.284%0.83779%0.794SS**  trans-154.5141.5152.3-136.1-152.9-57.100113.4
539L29.4Very low27.7Very low161 Ų161135.5 Ų135.584%0.84379%0.794SS**  trans74.2130.1166.4-52.1-177.9000117.8
540D25.4Very low27.7Very low139 Ų139133.4 Ų133.474%0.74379%0.789SS**  trans-142.2161.3179.2-179.325.4000107.6
541L28.2Very low27.8Very low158 Ų158134.4 Ų134.483%0.82780%0.795SS**  trans59.8125.6175.6-53.9-174.7000118.7
542G24.9Very low27.7Very low86 Ų86132.2 Ų132.289%0.88779%0.793SS**  trans177.974.5168.700000112.3
543G26.4Very low27.7Very low78 Ų78132.6 Ų132.680%0.80480%0.8SS**  trans-150.1130.9178.900000114
544S29.6Very low27.6Very low105 Ų105129.6 Ų129.673%0.73480%0.795SS**  trans-172.8136.5136.1-1190000110.6
545D27.3Very low27.6Very low134 Ų134129.5 Ų129.572%0.71780%0.796SS**  trans38.3126.3140.3-46.4-54.6000121.5
546N27.7Very low27.7Very low166 Ų166129.7 Ų129.789%0.88880%0.796SS**  -155.7162.898.3-133.5-35000114
547H27.9Very low27.8Very low167 Ų167127.9 Ų127.977%0.77379%0.793SS**  trans-107.2156.5-171.4-110.2-86000114.1
548S26.6Very low27.7Very low122 Ų122127 Ų12785%0.85379%0.792SS**  trans74.5146.2155.1770000119.4
549G26Very low27.8Very low74 Ų74126.6 Ų126.676%0.76379%0.79SS**  trans175.676.7-175.100000111.9
550T26.1Very low27.8Very low132 Ų132127.5 Ų127.581%0.8179%0.79SS**  trans-47.4145.9-173.4-47.70000115.9
551S30Very low27.8Very low117 Ų117125 Ų12582%0.81880%0.796SS**  trans-106.6129.6172.2-170.50000112.2
552T26.5Very low27.6Very low114 Ų114129.4 Ų129.470%0.69980%0.802SS**  trans-162.1142.51719.10000112
553T27.8Very low27.6Very low136 Ų136130.6 Ų130.683%0.83480%0.797SS**  trans73.1135.5151.9-54.50000118.5
554A27.9Very low27.7Very low68 Ų68133 Ų13356%0.56280%0.796SS**  cis-171.5143-20.100000112.9
555M27.6Very low29.1Very low180 Ų180133.3 Ų133.389%0.88780%0.796SS**  trans63.1172.4149.3-57.9169-159.800117.6
556I30.3Very low30.2Very low148 Ų148132.1 Ų132.176%0.75980%0.795SS**  cis-144.5163.412.9-27.6168.5000111.6
557T29.6Very low30.3Very low142 Ų142128.2 Ų128.287%0.87179%0.786SS**  trans78.5139.2165.170.40000118.8
558G27.7Very low30.3Very low70 Ų70127 Ų12772%0.72279%0.785SS**  cis179.4159.8-9.600000116.5
559M31.2Very low30.3Very low161 Ų161131.7 Ų131.779%0.79378%0.784SS**  trans53.3120.1156.8-72.3171.561.700123
560Q28.4Very low30.4Very low181 Ų181133.2 Ų133.285%0.84678%0.783SS**  56.4141.6128.8-61.8179.2-23.800122.1
561G26.7Very low30.4Very low85 Ų85135.5 Ų135.588%0.87678%0.784SS**  trans159.889159.200000115.7
562W24.2Very low31.3Very low251 Ų251134.7 Ų134.795%0.95178%0.776SS**  trans-101.8130.8175.5-157.2-28.4000109.3
563S23.8Very low31.4Very low111 Ų111136.4 Ų136.478%0.77678%0.78SS**  trans165.9154.6136.9-77.30000115.2
564T28.9Very low31.5Very low128 Ų128137.5 Ų137.579%0.78578%0.781SS**  trans-115.1-151.2169.756.40000107.6
565P58.1Low31.8Very low112 Ų112139.7 Ų139.773%0.72779%0.793SS**  cis-114-127.9-44.125.3-0.7000107.1
566P51.1Low32.5Very low109 Ų109136.6 Ų136.671%0.70879%0.786SS**  cis-140.5178-21.242.2-23.7000117.8
567A30.9Very low32.6Very low85 Ų85136.6 Ų136.670%0.70279%0.787SS**  trans70.4154.4139.600000120.6
568L27.5Very low32.6Very low141 Ų141136.6 Ų136.674%0.73878%0.781SS**  cis-159.1144.5-13-140.473.1000112.6
569R25.7Very low32.7Very low221 Ų221144.8 Ų144.883%0.83479%0.79SS**  trans58.5154143.1-85.9177.6-175.8176.80.5125.7
570S28.3Very low32.7Very low105 Ų105142.9 Ų142.973%0.73479%0.792SS**  trans78.5108150.341.70000123.6
571H26.4Very low32.8Very low181 Ų181142.1 Ų142.184%0.83879%0.793SS**  30.4157.2116.6-80.7-77.5000122.4
572P47.9Very low32.9Very low99 Ų99142.8 Ų142.864%0.64378%0.784SS**  cis-139.1170.7-12.139.3-21.1000117.1
573D29.6Very low33.4Very low150 Ų150137.3 Ų137.380%0.80278%0.781SS**  trans58.8166142.4-74.5-53.9000125.4
574D28.8Very low33.8Very low160 Ų160138.5 Ų138.586%0.85678%0.777SS**  trans72.2124.8171.5-74.2-29.4000121.6
575S34.5Very low34.1Very low114 Ų114139 Ų13980%0.79777%0.771SS**  trans-111.9148.9163.9-62.60000109.1
576P43.7Very low32.7Very low115 Ų115140 Ų14075%0.74778%0.777SS**  -153.4156.4103.636.6-18.5000117.9
577L30.7Very low31.9Very low148 Ų148141.8 Ų141.878%0.77578%0.778SS**  trans51.4106.5142-63171.6000122.2
578L31.4Very low31.8Very low142 Ų142143.2 Ų143.274%0.74378%0.783SS**  50.697.2125.2-57.3179.9000120.4
579R29.3Very low31.9Very low242 Ų242145.6 Ų145.691%0.91379%0.79SS**  179126.1111.7-98.5170.4-178.287.3-4.8111.2
580S30.5Very low32.2Very low121 Ų121140 Ų14085%0.84679%0.791SS**  trans-119.3139.7162-171.10000109.3
581L30.2Very low32.2Very low164 Ų164140.1 Ų140.186%0.85979%0.792SS**PPolyproline II helixtrans-88146.2179.3-68.7166.4000110.8
582S30.1Very low32.7Very low100 Ų100137.5 Ų137.570%0.69979%0.791SS**PPolyproline II helixtrans-75.9157.1175.4-43.40000112.1
583P34.8Very low32.1Very low135 Ų135138 Ų13888%0.87780%0.797SS**PPolyproline II helix-101.4156.3126-18.233.9000112
584I32.4Very low32.5Very low136 Ų136140.8 Ų140.870%0.69780%0.802SS**  trans-114.1119.6-174.1-75.8176.2000111.2
585Q33.7Very low33Very low139 Ų139136.3 Ų136.365%0.6579%0.793SS**  trans61.6154.8150.8-73.3173.7-29.200118.5M587Q585-M587 HydrophobicContact CG-CG 4.38Å
586P30.4Very low33.8Very low133 Ų133138.5 Ų138.586%0.86480%0.796SS**  -99.7155.978.8-18.134.2000115.6
587M32.4Very low34.3Very low146 Ų146140.4 Ų140.472%0.71980%0.795SS**  trans-87.1135.6168.1-73.9175.859.400110.9Q585Q585-M587 HydrophobicContact CG-CG 4.38Å
588S29.9Very low36.2Very low115 Ų115134.8 Ų134.880%0.80477%0.767SS**  trans-170.7149.3134-86.80000111.8
589Q30.4Very low38.7Very low191 Ų191131.4 Ų131.489%0.89376%0.755SS**  trans53.5101.6171.4-68.2-178.7-33.200116.9S591Q589-S591 PolarHBondContact O-N 3.23Å
590A30.7Very low41.5Very low104 Ų104120.3 Ų120.386%0.8671%0.714SS**PPolyproline II helixtrans-66.9128.3161.700000110.1
591S28.6Very low44.1Very low108 Ų108118.2 Ų118.276%0.75570%0.704SS**PPolyproline II helixtrans-69.1145.2162.629.30000109.9Q589Q589-S591 PolarHBondContact O-N 3.23Å
592P37.5Very low46.6Very low125 Ų125115.3 Ų115.381%0.81270%0.703SS**PPolyproline II helixtrans-62.5143.3179.626.2-34.1000110.7
593S34.3Very low49.5Very low111 Ų111111.5 Ų111.578%0.77668%0.676SS**PPolyproline II helixtrans-54.4142.2173.746.50000111G595S593-G595 PolarHBondContact O-N 3.45Å; S593-G595 VanDerWaalsContact O-N 3.09Å
594K38.2Very low52.2Low208 Ų208111.6 Ų111.690%0.90466%0.663SS**PPolyproline II helixtrans-52.5119.6164.8-65179.4179.5-179.80107.5
595G39.1Very low55.2Low65 Ų65106 Ų10667%0.6764%0.635SS**PPolyproline II helixtrans-62.9146.9178.400000110.8S593 E597S593-G595 PolarHBondContact O-N 3.45Å; S593-G595 VanDerWaalsContact O-N 3.09Å; G595-E597 PolarHBondContact O-N 2.99Å
596D52.1Low58Low161 Ų161102 Ų10286%0.86162%0.622SS**PPolyproline II helixtrans-54.3125.4176.1-77.5-55.1000110.3V598D596-V598 PolarHBondContact O-N 3.27Å
597E54.4Low60.8Low154 Ų15498.9 Ų98.972%0.7260%0.597SS**  trans-72.599.6174.6-172.1177.1-178.800108.8G595 S599 K672G595-E597 PolarHBondContact O-N 2.99Å; E597-S599 PolarHBondContact O-N 2.88Å; E597-K672 IonicContact OE1-NZ 2.63Å; E597-K672 PolarHBondContact OE1-NZ 2.86Å
598V69.2Low63.6Low31 Ų31100 Ų10019%0.18860%0.601CS.*  trans-55.7109.2178.8176.90000109.7D596 K672 A702 P704D596-V598 PolarHBondContact O-N 3.27Å; V598-K672 VanDerWaalsContact O-CE 3.25Å; V598-K672 WeakPolarHBondContact O-CE 3.3Å; V598-K672 WeakPolarHBondContact O-CG 3.39Å; V598-A702 HydrophobicContact CG1-CB 3.54Å; V598-P704 HydrophobicContact CG2-CB 3.93Å; V598-P704 HydrophobicContact CG2-CG 3.84Å
599S84.3Confident66.5Low70 Ų7097.8 Ų97.849%0.4959%0.589SS.*  trans-118.2125.9-174.3-175.80000110.4E597 A601E597-S599 PolarHBondContact O-N 2.88Å; S599-A601 WeakPolarHBondContact OG-CB 3.46Å; S599-A601 PolarHBondContact OG-N 3.02Å
600L88Confident69.5Low9 Ų990.1 Ų90.15%0.04755%0.554CS.*  trans-92.20.2170.5-71.1173.8000112.3A602 V603 V643 K672 K674 L700 A702L600-A602 PolarHBondContact O-N 3.17Å; L600-V603 HydrophobicContact CD2-CB 4.32Å; L600-V603 HydrophobicContact CD2-CG2 4.15Å; L600-V603 PolarHBondContact O-N 3.39Å; L600-V603 VanDerWaalsContact O-N 3.07Å; L600-V643 HydrophobicContact CD2-CG1 3.97Å; L600-V643 HydrophobicContact CD2-CG2 3.88Å; L600-K672 HydrophobicContact CD1-CB 4.13Å; L600-K672 WeakPolarHBondContact CD1-O 3.31Å; L600-K672 HydrophobicContact CG-CB 4.5Å; L600-K674 HydrophobicContact CB-CB 3.77Å; L600-K674 HydrophobicContact CB-CD 4.04Å; L600-K674 HydrophobicContact CD1-CB 3.86Å; L600-K674 HydrophobicContact CG-CB 4.45Å; L600-K674 WeakPolarHBondContact O-CD 3.21Å; L600-K674 PolarHBondContact O-NZ 3.02Å; L600-L700 HydrophobicContact CD1-CB 4.28Å; L600-L700 WeakPolarHBondContact CD1-O 3.49Å; L600-L700 HydrophobicContact CD2-CB 4.34Å; L600-A702 HydrophobicContact CD1-CB 4.16Å; L600-A702 HydrophobicContact CD2-CB 4.1Å; L600-A702 HydrophobicContact CG-CB 4.12Å
601A84.6Confident72.5Confident77 Ų7787.6 Ų87.664%0.63653%0.53SS*.THydrogen-bonded Turntrans-54-50.6-17200000112.2S599 K674S599-A601 WeakPolarHBondContact OG-CB 3.46Å; S599-A601 PolarHBondContact OG-N 3.02Å; A601-K674 PolarHBondContact O-NZ 3.08Å
602A84.2Confident75.5Confident103 Ų10388 Ų8885%0.85153%0.529SS*.THydrogen-bonded Turntrans-80.8-10.3179.900000115L600 F604L600-A602 PolarHBondContact O-N 3.17Å; A602-F604 PolarHBondContact O-N 2.99Å
603V90Very high78.2Confident21 Ų2183 Ų8313%0.12750%0.498CS..  trans-82.3118.8-177.4-170.90000109.8L600 V605 P637 K674 L700L600-V603 HydrophobicContact CD2-CB 4.32Å; L600-V603 HydrophobicContact CD2-CG2 4.15Å; L600-V603 PolarHBondContact O-N 3.39Å; L600-V603 VanDerWaalsContact O-N 3.07Å; V603-V605 HydrophobicContact CG1-CG2 4.45Å; V603-P637 HydrophobicContact CG1-CB 4.12Å; V603-P637 HydrophobicContact CG1-CG 4.2Å; V603-K674 PolarHBondContact O-NZ 2.83Å; V603-L700 HydrophobicContact CB-CD1 4.14Å; V603-L700 HydrophobicContact CG1-CD1 3.82Å; V603-L700 WeakPolarHBondContact O-CD1 3.41Å
604F93Very high80.9Confident136 Ų13683.4 Ų83.460%0.59650%0.496SS*.  trans-128.3140.9172.7-176.2-87000108.1A602 P606A602-F604 PolarHBondContact O-N 2.99Å; F604-P606 HydrophobicContact CD1-CG 4.28Å; F604-P606 HydrophobicContact CE1-CB 4.42Å; F604-P606 HydrophobicContact CE1-CG 3.99Å
605V94.1Very high83.4Confident18 Ų1876 Ų7611%0.10947%0.466CS..  trans-135.8109.1-179.7-177.30000107.2V603 I610 P637 V645 Q676 L700V603-V605 HydrophobicContact CG1-CG2 4.45Å; V605-I610 HydrophobicContact CG1-CD1 4.2Å; V605-I610 HydrophobicContact CG1-CG1 3.8Å; V605-P637 HydrophobicContact CG2-CB 4.26Å; V605-P637 HydrophobicContact CG2-CG 4.14Å; V605-V645 HydrophobicContact CG1-CG1 4.25Å; V605-V645 HydrophobicContact CG2-CG2 4.33Å; V605-Q676 PolarHBondContact O-NE2 2.76Å; V605-Q676 PolarHBondContact O-OE1 2.69Å; V605-L700 HydrophobicContact CB-CD2 4.34Å; V605-L700 HydrophobicContact CG2-CD2 3.82Å
606P92.1Very high86Confident57 Ų5777.3 Ų77.337%0.3746%0.463SS..  trans-58.8147.2175.3-19.230.1000111.2F604 E608 A609F604-P606 HydrophobicContact CD1-CG 4.28Å; F604-P606 HydrophobicContact CE1-CB 4.42Å; F604-P606 HydrophobicContact CE1-CG 3.99Å; P606-E608 VanDerWaalsContact CB-OE2 3.25Å; P606-E608 WeakPolarHBondContact CB-OE2 3.32Å; P606-E608 PolarHBondContact O-N 3.18Å; P606-A609 HydrophobicContact CB-CB 4.29Å; P606-A609 HydrophobicContact CG-CB 4.44Å; P606-A609 PolarHBondContact O-N 3.27Å
607L90.5Very high88.1Confident66 Ų6672.3 Ų72.335%0.34644%0.44SS..G310 helixtrans-64.6-32.7-177.9-177.761.1000111.6A609 I610 V647 V698L607-A609 PolarHBondContact O-N 2.92Å; L607-I610 HydrophobicContact CD1-CD1 4.33Å; L607-I610 PolarHBondContact O-N 3.12Å; L607-V647 HydrophobicContact CD1-CG1 4Å; L607-V647 HydrophobicContact CD1-CG2 3.8Å; L607-V698 HydrophobicContact CB-CG2 4.46Å; L607-V698 HydrophobicContact CD1-CG2 4.08Å
608E90.6Very high90.1Very high171 Ų17166.4 Ų66.480%0.79942%0.415SS*.G310 helixtrans-71.8-17.3-179.4-51.672.6-159.100112.7P606P606-E608 VanDerWaalsContact CB-OE2 3.25Å; P606-E608 WeakPolarHBondContact CB-OE2 3.32Å; P606-E608 PolarHBondContact O-N 3.18Å
609A90.9Very high91.4Very high67 Ų6768.6 Ų68.655%0.55443%0.428SS*.G310 helixtrans-96.85.9-178.800000113.2P606 L607P606-A609 HydrophobicContact CB-CB 4.29Å; P606-A609 HydrophobicContact CG-CB 4.44Å; P606-A609 PolarHBondContact O-N 3.27Å; L607-A609 PolarHBondContact O-N 2.92Å
610I93.6Very high91.9Very high31 Ų3166 Ų6616%0.15941%0.411CS..  trans-95.7105.7-175.2-61.3176.9000110.5V605 L607 A633 V645 V647 V698V605-I610 HydrophobicContact CG1-CD1 4.2Å; V605-I610 HydrophobicContact CG1-CG1 3.8Å; L607-I610 HydrophobicContact CD1-CD1 4.33Å; L607-I610 PolarHBondContact O-N 3.12Å; I610-A633 HydrophobicContact CG2-CB 3.66Å; I610-V645 HydrophobicContact CD1-CG1 3.79Å; I610-V645 HydrophobicContact CG1-CG1 4.15Å; I610-V647 HydrophobicContact CD1-CG2 3.71Å; I610-V647 HydrophobicContact CG2-CG2 4.28Å; I610-V698 HydrophobicContact CD1-CB 4.45Å; I610-V698 HydrophobicContact CD1-CG1 3.81Å; I610-V698 HydrophobicContact CD1-CG2 3.74Å
611S93Very high92.4Very high51 Ų5165.9 Ų65.936%0.35741%0.41SS..PPolyproline II helixtrans-64.5125.5166.8-48.90000110.2A633 S634 D635S611-A633 CarbonylContact O-C 3.58Å; S611-A633 WeakPolarHBondContact O-CA 3.45Å; S611-S634 PolarHBondContact O-N 3.48Å; S611-D635 WeakPolarHBondContact CB-OD2 3.49Å; S611-D635 PolarHBondContact OG-OD2 2.97Å
612P91.5Very high93Very high115 Ų11565.6 Ų65.675%0.74740%0.398SS*.BIsolated β-bridgetrans-68.5139.1174.928.7-34.1000110.9
613S94.4Very high93.4Very high21 Ų2165.4 Ų65.415%0.14738%0.378CS..PPolyproline II helixtrans-75.5170172.763.60000113L615 F632 L742S613-L615 PolarHBondContact O-N 3.42Å; S613-L615 PolarHBondContact OG-N 3.13Å; S613-F632 WeakPolarHBondContact CB-O 3.37Å; S613-F632 PolarHBondContact N-O 2.9Å; S613-F632 VanDerWaalsContact N-O 3.12Å; S613-F632 PolarHBondContact OG-O 2.94Å; S613-L742 WeakPolarHBondContact CA-O 3.27Å; S613-L742 VanDerWaalsContact CB-C 3.45Å; S613-L742 WeakPolarHBondContact CB-O 3.37Å
614T91.1Very high93.4Very high120 Ų12068.2 Ų68.274%0.73639%0.392SS*.SBendtrans-77.1-2.2170.567.80000113.9L742T614-L742 PolarHBondContact N-O 3.08Å; T614-L742 PolarHBondContact N-OXT 3.16Å; T614-L742 VanDerWaalsContact N-OXT 3.1Å; T614-L742 PolarHBondContact OG1-OXT 2.86Å
615L91.4Very high93.4Very high52 Ų5262.7 Ų62.727%0.27237%0.373SS..SBendtrans-87.2141.5-171.5-57.8-178000112.7S613 F632 P734 L742S613-L615 PolarHBondContact O-N 3.42Å; S613-L615 PolarHBondContact OG-N 3.13Å; L615-F632 HydrophobicContact CB-CD2 4.23Å; L615-F632 HydrophobicContact CD1-CD2 4.21Å; L615-P734 HydrophobicContact CD1-CB 3.79Å; L615-P734 HydrophobicContact CD1-CG 4.31Å; L615-L742 HydrophobicContact CD1-CB 4.11Å; L615-L742 HydrophobicContact CD1-CD1 4.44Å; L615-L742 HydrophobicContact CD1-CD2 4.14Å; L615-L742 HydrophobicContact CD1-CG 4.48Å; L615-L742 HydrophobicContact CG-CB 4.46Å
616C92.8Very high93.4Very high92 Ų9262.1 Ų62.162%0.62237%0.37SS*.PPolyproline II helixtrans-58.9136.4170.2-54.10000110.8
617P95.8Very high93.6Very high57 Ų5764 Ų6437%0.3737%0.369SS..PPolyproline II helixtrans-60.8144.7172.9-21.933.6000111.7L629 L630 H631P617-L629 HydrophobicContact CB-CB 4.22Å; P617-L630 CarbonylContact C-O 3.55Å; P617-L630 VanDerWaalsContact CA-O 3.28Å; P617-L630 WeakPolarHBondContact CA-O 3.23Å; P617-H631 WeakPolarHBondContact CG-ND1 3.33Å
618V96.2Very high94Very high30 Ų3061 Ų6118%0.18235%0.354CS..EExtended strand (participates in β ladder)trans-100.9122.6179.71670000110A620 L630 F632 V730 D732V618-A620 PolarHBondContact O-N 3.02Å; V618-L630 PolarHBondContact N-O 3.37Å; V618-L630 PolarHBondContact O-N 3.46Å; V618-F632 HydrophobicContact CB-CE2 4.29Å; V618-F632 HydrophobicContact CB-CZ 4.27Å; V618-F632 HydrophobicContact CG2-CE2 3.78Å; V618-F632 HydrophobicContact CG2-CZ 4.03Å; V618-V730 HydrophobicContact CG1-CG1 3.65Å; V618-D732 HydrophobicContact CG1-CB 4.24Å; V618-D732 HydrophobicContact CG2-CB 4.32Å
619T96.9Very high94.3Very high77 Ų7754.2 Ų54.247%0.47232%0.323SS..EExtended strand (participates in β ladder)trans-67.3113175.7-53.50000110.3D622 L629T619-D622 HydrophobicContact CG2-CB 3.78Å; T619-L629 HydrophobicContact CG2-CD2 4.27Å; T619-L629 WeakPolarHBondContact OG1-CD2 3.48Å
620A96.2Very high94.7Very high16 Ų1651.1 Ų51.113%0.13230%0.297CS..EExtended strand (participates in β ladder)trans-82-41.2171.100000111.1V618 V628 L630 Y713 V730V618-A620 PolarHBondContact O-N 3.02Å; A620-V628 HydrophobicContact CB-CB 4.49Å; A620-V628 HydrophobicContact CB-CG1 4.35Å; A620-V628 PolarHBondContact N-O 2.9Å; A620-L630 HydrophobicContact CB-CD1 4.28Å; A620-L630 HydrophobicContact CB-CG 4.2Å; A620-Y713 HydrophobicContact CB-CD1 4.35Å; A620-Y713 HydrophobicContact CB-CE1 4.14Å; A620-Y713 WeakPolarHBondContact O-CE1 3.29Å; A620-Y713 PolarHBondContact O-OH 3.31Å; A620-V730 HydrophobicContact CB-CG2 3.76Å
621Y97.3Very high94.9Very high6 Ų652.9 Ų52.92%0.02430%0.304CS..EExtended strand (participates in β ladder)trans-146.5140.7-177.3179.5-96.8000110.4K623 V626 R627 V628 Y713 L715 F717 E726Y621-K623 HydrophobicContact CE1-CB 4.23Å; Y621-K623 HydrophobicContact CE2-CB 4.23Å; Y621-K623 HydrophobicContact CE2-CD 3.81Å; Y621-K623 HydrophobicContact CE2-CG 3.9Å; Y621-V626 VanDerWaalsContact CD1-O 3.23Å; Y621-V626 WeakPolarHBondContact CD1-O 3.33Å; Y621-V626 HydrophobicContact CE1-CB 4.15Å; Y621-V626 HydrophobicContact CE1-CG1 4.31Å; Y621-V626 VanDerWaalsContact CE1-O 3.22Å; Y621-V626 WeakPolarHBondContact CE1-O 3.37Å; Y621-R627 CarbonylContact O-C 3.5Å; Y621-R627 WeakPolarHBondContact O-CA 3.41Å; Y621-V628 PolarHBondContact N-O 3.34Å; Y621-V628 PolarHBondContact O-N 2.89Å; Y621-Y713 HydrophobicContact CD2-CE2 4.38Å; Y621-L715 HydrophobicContact CD1-CD2 3.62Å; Y621-L715 HydrophobicContact CD2-CD2 4.38Å; Y621-L715 HydrophobicContact CE1-CD2 3.94Å; Y621-L715 HydrophobicContact CG-CD2 3.85Å; Y621-F717 HydrophobicContact CE1-CE1 4.18Å; Y621-F717 HydrophobicContact CE1-CZ 4.34Å; Y621-E726 HydrophobicContact CD2-CB 4.24Å; Y621-E726 HydrophobicContact CE2-CB 3.64Å; Y621-E726 HydrophobicContact CE2-CG 3.52Å
622D96.8Very high95.1Very high71 Ų7150.9 Ų50.938%0.3829%0.289SS..EExtended strand (participates in β ladder)trans-155.995.2173.1-166.228.4000109.7T619 R627T619-D622 HydrophobicContact CG2-CB 3.78Å; D622-R627 HydrophobicContact CB-CG 4.26Å; D622-R627 WeakPolarHBondContact OD1-CB 3.23Å; D622-R627 IonicContact OD1-CZ 2.63Å; D622-R627 IonicContact OD1-NE 3.93Å; D622-R627 PolarHBondContact OD1-NE 3.42Å; D622-R627 IonicContact OD1-NH2 2.72Å; D622-R627 PolarHBondContact OD1-NH2 3.34Å; D622-R627 IonicContact OD2-CZ 2.72Å; D622-R627 VanDerWaalsContact OD2-CZ 3.31Å; D622-R627 IonicContact OD2-NE 2.61Å; D622-R627 PolarHBondContact OD2-NE 2.77Å; D622-R627 VanDerWaalsContact OD2-NE 3.16Å; D622-R627 IonicContact OD2-NH2 2.67Å; D622-R627 PolarHBondContact OD2-NH2 3.41Å
623K93.8Very high95.3Very high99 Ų9945.6 Ų45.643%0.4326%0.255SS..EExtended strand (participates in β ladder)trans-151.8157.1174.4-51.9-179.3-172.8172.30110.3Y621 G625 V626 E726Y621-K623 HydrophobicContact CE1-CB 4.23Å; Y621-K623 HydrophobicContact CE2-CB 4.23Å; Y621-K623 HydrophobicContact CE2-CD 3.81Å; Y621-K623 HydrophobicContact CE2-CG 3.9Å; K623-G625 PolarHBondContact O-N 3.34Å; K623-V626 PolarHBondContact N-O 3.35Å; K623-V626 VanDerWaalsContact N-O 3.13Å; K623-V626 PolarHBondContact O-N 2.93Å; K623-V626 VanDerWaalsContact O-O 3.05Å; K623-E726 WeakPolarHBondContact CD-OE1 3.06Å; K623-E726 IonicContact NZ-OE1 2.69Å; K623-E726 PolarHBondContact NZ-OE1 2.97Å; K623-E726 IonicContact NZ-OE2 2.63Å; K623-E726 PolarHBondContact NZ-OE2 3.49Å
624N90.4Very high95.2Very high80 Ų8046.1 Ų46.143%0.42826%0.259SS..THydrogen-bonded Turntrans55.825.1171.9-51-13.3000114.2V626 L719 F724N624-V626 PolarHBondContact O-N 3.31Å; N624-L719 HydrophobicContact CB-CD2 4.09Å; N624-F724 VanDerWaalsContact ND2-CE1 3.29Å; N624-F724 WeakPolarHBondContact ND2-CE1 3.13Å
625G91.4Very high95.3Very high20 Ų2044.3 Ų44.321%0.20625%0.245CC..THydrogen-bonded Turntrans75.32.2-172.500000115.2K623 N652 T653K623-G625 PolarHBondContact O-N 3.34Å; G625-N652 CarbonylContact O-C 3.58Å; G625-N652 WeakPolarHBondContact O-CA 3.44Å; G625-N652 PolarHBondContact O-OD1 3.42Å; G625-T653 WeakPolarHBondContact CA-OG1 3.4Å; G625-T653 PolarHBondContact O-N 2.67Å; G625-T653 PolarHBondContact O-OG1 3.04Å
626V95.3Very high95.3Very high5 Ų543.2 Ų43.23%0.0324%0.241CC..EExtended strand (participates in β ladder)trans-102.4123.3175.7-176.30000109.2Y621 K623 N624 V658 F717 L719Y621-V626 VanDerWaalsContact CD1-O 3.23Å; Y621-V626 WeakPolarHBondContact CD1-O 3.33Å; Y621-V626 HydrophobicContact CE1-CB 4.15Å; Y621-V626 HydrophobicContact CE1-CG1 4.31Å; Y621-V626 VanDerWaalsContact CE1-O 3.22Å; Y621-V626 WeakPolarHBondContact CE1-O 3.37Å; K623-V626 PolarHBondContact N-O 3.35Å; K623-V626 VanDerWaalsContact N-O 3.13Å; K623-V626 PolarHBondContact O-N 2.93Å; K623-V626 VanDerWaalsContact O-O 3.05Å; N624-V626 PolarHBondContact O-N 3.31Å; V626-V658 HydrophobicContact CG2-CG1 4.41Å; V626-V658 HydrophobicContact CG2-CG2 3.67Å; V626-F717 HydrophobicContact CB-CE2 4.46Å; V626-F717 HydrophobicContact CB-CZ 4.26Å; V626-F717 HydrophobicContact CG1-CE1 4.5Å; V626-F717 HydrophobicContact CG1-CZ 4.44Å; V626-F717 HydrophobicContact CG2-CD2 4.49Å; V626-F717 HydrophobicContact CG2-CE2 3.94Å; V626-F717 HydrophobicContact CG2-CZ 4.23Å; V626-L719 HydrophobicContact CG2-CD1 4.5Å
627R96.9Very high95.3Very high97 Ų9739.4 Ų39.437%0.36622%0.215SC..EExtended strand (participates in β ladder)trans-126.1137-174.9-174.2177.6-71.4179.9-10.8111.2Y621 D622 L629 M650 L651Y621-R627 CarbonylContact O-C 3.5Å; Y621-R627 WeakPolarHBondContact O-CA 3.41Å; D622-R627 HydrophobicContact CB-CG 4.26Å; D622-R627 WeakPolarHBondContact OD1-CB 3.23Å; D622-R627 IonicContact OD1-CZ 2.63Å; D622-R627 IonicContact OD1-NE 3.93Å; D622-R627 PolarHBondContact OD1-NE 3.42Å; D622-R627 IonicContact OD1-NH2 2.72Å; D622-R627 PolarHBondContact OD1-NH2 3.34Å; D622-R627 IonicContact OD2-CZ 2.72Å; D622-R627 VanDerWaalsContact OD2-CZ 3.31Å; D622-R627 IonicContact OD2-NE 2.61Å; D622-R627 PolarHBondContact OD2-NE 2.77Å; D622-R627 VanDerWaalsContact OD2-NE 3.16Å; D622-R627 IonicContact OD2-NH2 2.67Å; D622-R627 PolarHBondContact OD2-NH2 3.41Å; R627-L629 HydrophobicContact CG-CD2 3.99Å; R627-L629 HydrophobicContact CG-CG 4.22Å; R627-M650 CarbonylContact O-C 3.54Å; R627-M650 WeakPolarHBondContact O-CA 3.08Å; R627-L651 HydrophobicContact CB-CB 4.49Å; R627-L651 PolarHBondContact N-O 2.99Å; R627-L651 PolarHBondContact O-N 3.08Å
628V97.6Very high94.9Very high3 Ų343 Ų432%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-123.9118.4173.8-176.20000109.6A620 Y621 S649 M650 L715A620-V628 HydrophobicContact CB-CB 4.49Å; A620-V628 HydrophobicContact CB-CG1 4.35Å; A620-V628 PolarHBondContact N-O 2.9Å; Y621-V628 PolarHBondContact N-O 3.34Å; Y621-V628 PolarHBondContact O-N 2.89Å; V628-S649 WeakPolarHBondContact CA-O 3.23Å; V628-M650 HydrophobicContact CG1-CG 4.31Å; V628-M650 HydrophobicContact CG2-CB 4.34Å; V628-M650 HydrophobicContact CG2-CG 4.12Å; V628-L715 HydrophobicContact CG2-CD1 4.4Å; V628-L715 HydrophobicContact CG2-CD2 3.83Å
629L97.9Very high94.5Very high29 Ų2945.2 Ų45.215%0.15227%0.267CS..EExtended strand (participates in β ladder)trans-110.2138.3178.4-57.7-178.7000110.4P617 T619 R627 A648 S649 L651P617-L629 HydrophobicContact CB-CB 4.22Å; T619-L629 HydrophobicContact CG2-CD2 4.27Å; T619-L629 WeakPolarHBondContact OG1-CD2 3.48Å; R627-L629 HydrophobicContact CG-CD2 3.99Å; R627-L629 HydrophobicContact CG-CG 4.22Å; L629-A648 CarbonylContact O-C 3.54Å; L629-A648 WeakPolarHBondContact O-CA 3.48Å; L629-S649 PolarHBondContact N-O 3.2Å; L629-S649 PolarHBondContact O-N 3.4Å; L629-L651 HydrophobicContact CD1-CD1 4.37Å
630L97.8Very high94.2Very high2 Ų244.6 Ų44.61%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-100.2110.5171.4-60.8177000109.2P617 V618 A620 A648 M711 V730P617-L630 CarbonylContact C-O 3.55Å; P617-L630 VanDerWaalsContact CA-O 3.28Å; P617-L630 WeakPolarHBondContact CA-O 3.23Å; V618-L630 PolarHBondContact N-O 3.37Å; V618-L630 PolarHBondContact O-N 3.46Å; A620-L630 HydrophobicContact CB-CD1 4.28Å; A620-L630 HydrophobicContact CB-CG 4.2Å; L630-A648 HydrophobicContact CD2-CB 3.91Å; L630-M711 HydrophobicContact CD1-CE 3.65Å; L630-M711 HydrophobicContact CD2-CE 4.41Å; L630-V730 HydrophobicContact CD1-CG1 4.32Å; L630-V730 HydrophobicContact CD1-CG2 4.14Å
631H97.7Very high94Very high67 Ų6748.3 Ų48.331%0.3128%0.279SS..EExtended strand (participates in β ladder)trans-92.9130.4172.3-59.4-116.8000108.5P617 M646 V647 S649P617-H631 WeakPolarHBondContact CG-ND1 3.33Å; H631-M646 CarbonylContact O-C 3.6Å; H631-M646 WeakPolarHBondContact O-CA 3.36Å; H631-M646 WeakPolarHBondContact O-CB 3.19Å; H631-V647 HydrophobicContact CB-CB 4.41Å; H631-V647 PolarHBondContact N-O 2.86Å; H631-V647 PolarHBondContact O-N 3.19Å; H631-S649 PolarHBondContact CD2-OG 2.98Å; H631-S649 WeakPolarHBondContact NE2-CB 3.49Å; H631-S649 PolarHBondContact NE2-OG 3.39Å
632F97.2Very high93.8Very high9 Ų949.4 Ų49.44%0.03929%0.286CS..EExtended strand (participates in β ladder)trans-88.4139.9176.1-53.4-74000110.4S613 L615 V618 L644 M646 F733 P734 L742S613-F632 WeakPolarHBondContact CB-O 3.37Å; S613-F632 PolarHBondContact N-O 2.9Å; S613-F632 VanDerWaalsContact N-O 3.12Å; S613-F632 PolarHBondContact OG-O 2.94Å; L615-F632 HydrophobicContact CB-CD2 4.23Å; L615-F632 HydrophobicContact CD1-CD2 4.21Å; V618-F632 HydrophobicContact CB-CE2 4.29Å; V618-F632 HydrophobicContact CB-CZ 4.27Å; V618-F632 HydrophobicContact CG2-CE2 3.78Å; V618-F632 HydrophobicContact CG2-CZ 4.03Å; F632-L644 HydrophobicContact CD1-CD1 4.35Å; F632-L644 HydrophobicContact CD1-CD2 3.93Å; F632-L644 HydrophobicContact CD1-CG 4.46Å; F632-L644 HydrophobicContact CE1-CD2 4.17Å; F632-M646 HydrophobicContact CD1-CG 3.64Å; F632-M646 HydrophobicContact CD1-SD 4.01Å; F632-M646 HydrophobicContact CE1-CG 4.03Å; F632-M646 HydrophobicContact CE1-SD 3.77Å; F632-F733 AromaticContact CE1-CD1 3.92Å; F632-F733 HydrophobicContact CE1-CD1 3.92Å; F632-F733 HydrophobicContact CE1-CE1 4.34Å; F632-F733 HydrophobicContact CZ-CD1 4.48Å; F632-P734 HydrophobicContact CD1-CG 3.86Å; F632-P734 VanDerWaalsContact CE1-CD 3.4Å; F632-P734 HydrophobicContact CE1-CG 4.15Å; F632-P734 HydrophobicContact CG-CG 4.11Å; F632-L742 HydrophobicContact CB-CD1 4.34Å
633A96.1Very high93.8Very high4 Ų446 Ų463%0.03327%0.267CS..BIsolated β-bridgetrans-74.8154.2168.400000110.8I610 S611 V645 L742I610-A633 HydrophobicContact CG2-CB 3.66Å; S611-A633 CarbonylContact O-C 3.58Å; S611-A633 WeakPolarHBondContact O-CA 3.45Å; A633-V645 HydrophobicContact CB-CB 3.73Å; A633-V645 HydrophobicContact CB-CG1 4.17Å; A633-V645 WeakPolarHBondContact CB-O 3.28Å; A633-V645 PolarHBondContact N-O 2.92Å; A633-L742 WeakPolarHBondContact O-CD1 3.25Å
634S93.6Very high94Very high32 Ų3241.5 Ų41.522%0.22425%0.248CC..SBendtrans-72.2-44.9169.7-156.10000111S611 G740 A741 L742S611-S634 PolarHBondContact O-N 3.48Å; S634-G740 CarbonylContact O-C 3.12Å; S634-G740 WeakPolarHBondContact O-CA 3.39Å; S634-G740 PolarHBondContact O-N 2.92Å; S634-A741 PolarHBondContact O-N 3.24Å; S634-L742 WeakPolarHBondContact CA-O 3.49Å; S634-L742 VanDerWaalsContact CB-O 3.3Å; S634-L742 WeakPolarHBondContact CB-O 3.49Å; S634-L742 PolarHBondContact OG-O 2.99Å
635D92.3Very high94.3Very high82 Ų8237.9 Ų37.944%0.43923%0.228SC..SBendtrans-90.6155.7-173.6-61.5-64.5000114.4S611S611-D635 WeakPolarHBondContact CB-OD2 3.49Å; S611-D635 PolarHBondContact OG-OD2 2.97Å
636C92.4Very high94.6Very high30 Ų3036.9 Ų36.920%0.20322%0.219CC..PPolyproline II helixtrans-94.2159.1165.4-74.10000111.3V643 G740C636-V643 PolarHBondContact SG-O 3.32Å; C636-V643 VanDerWaalsContact SG-O 3.36Å; C636-G740 PolarHBondContact SG-N 3.45Å
637P92.5Very high94.7Very high11 Ų1137.4 Ų37.47%0.07122%0.222CC..PPolyproline II helixtrans-62.8145.8173.1-14.929.3000111V603 V605 G639 R640 V643 V645V603-P637 HydrophobicContact CG1-CB 4.12Å; V603-P637 HydrophobicContact CG1-CG 4.2Å; V605-P637 HydrophobicContact CG2-CB 4.26Å; V605-P637 HydrophobicContact CG2-CG 4.14Å; P637-G639 PolarHBondContact O-N 3.49Å; P637-R640 HydrophobicContact CB-CB 4.26Å; P637-R640 PolarHBondContact O-N 2.94Å; P637-V643 WeakPolarHBondContact CD-O 3.2Å; P637-V643 HydrophobicContact CG-CB 4.06Å; P637-V643 HydrophobicContact CG-CG1 3.87Å; P637-V645 HydrophobicContact CG-CG2 3.67Å
638P87.3Confident94.8Very high134 Ų13432.8 Ų32.887%0.8720%0.204SC*.THydrogen-bonded Turntrans-51.4125-179-29.736000113.2R640P638-R640 VanDerWaalsContact C-N 3.26Å; P638-R640 PolarHBondContact O-N 2.86Å
639G86.3Confident94.8Very high75 Ų7533.4 Ų33.477%0.77321%0.209SC*.THydrogen-bonded Turntrans72.97.2-179.100000115.9P637P637-G639 PolarHBondContact O-N 3.49Å
640R92.1Very high94.8Very high64 Ų6432.2 Ų32.224%0.24220%0.203CC..  trans-129.363.7-177.1-60.9-68.2-67.1127.218.1112P637 P638 D642 V643P637-R640 HydrophobicContact CB-CB 4.26Å; P637-R640 PolarHBondContact O-N 2.94Å; P638-R640 VanDerWaalsContact C-N 3.26Å; P638-R640 PolarHBondContact O-N 2.86Å; R640-D642 IonicContact CZ-OD1 3.67Å; R640-D642 IonicContact CZ-OD2 3.84Å; R640-D642 IonicContact NE-OD1 2.68Å; R640-D642 IonicContact NH1-OD1 3.33Å; R640-D642 PolarHBondContact NH1-OD1 3.49Å; R640-D642 IonicContact NH1-OD2 3.14Å; R640-D642 PolarHBondContact NH1-OD2 2.76Å; R640-D642 VanDerWaalsContact NH2-CG 3.35Å; R640-D642 IonicContact NH2-OD1 2.68Å; R640-D642 PolarHBondContact NH2-OD1 2.64Å; R640-D642 IonicContact NH2-OD2 2.77Å; R640-D642 PolarHBondContact NH2-OD2 3.2Å; R640-D642 PolarHBondContact O-N 2.72Å; R640-V643 HydrophobicContact CB-CB 4.17Å; R640-V643 HydrophobicContact CB-CG2 3.85Å; R640-V643 VanDerWaalsContact NH2-CG2 3.26Å; R640-V643 WeakPolarHBondContact O-CB 3.36Å; R640-V643 PolarHBondContact O-N 2.9Å
641P92.3Very high94.7Very high94 Ų9434.4 Ų34.461%0.6121%0.214SC*.THydrogen-bonded Turntrans-67.4-12.5-179.531.2-37.3000113.7V643P641-V643 VanDerWaalsContact C-N 3.26Å
642D93.1Very high94.6Very high30 Ų3031.4 Ų31.416%0.1620%0.2CC..THydrogen-bonded Turntrans-83.26.3170.664.9-48.1000113.1R640 A702 N703 W739R640-D642 IonicContact CZ-OD1 3.67Å; R640-D642 IonicContact CZ-OD2 3.84Å; R640-D642 IonicContact NE-OD1 2.68Å; R640-D642 IonicContact NH1-OD1 3.33Å; R640-D642 PolarHBondContact NH1-OD1 3.49Å; R640-D642 IonicContact NH1-OD2 3.14Å; R640-D642 PolarHBondContact NH1-OD2 2.76Å; R640-D642 VanDerWaalsContact NH2-CG 3.35Å; R640-D642 IonicContact NH2-OD1 2.68Å; R640-D642 PolarHBondContact NH2-OD1 2.64Å; R640-D642 IonicContact NH2-OD2 2.77Å; R640-D642 PolarHBondContact NH2-OD2 3.2Å; R640-D642 PolarHBondContact O-N 2.72Å; D642-A702 CarbonylContact O-C 3.55Å; D642-A702 WeakPolarHBondContact O-CA 3.19Å; D642-N703 PolarHBondContact O-N 3.33Å; D642-W739 WeakPolarHBondContact O-CZ3 3.32Å
643V96.4Very high94.4Very high0 Ų034.3 Ų34.30%022%0.219CC..EExtended strand (participates in β ladder)trans-118112.1-178.4-1780000111.9L600 C636 P637 R640 P641 L700 L701 A702L600-V643 HydrophobicContact CD2-CG1 3.97Å; L600-V643 HydrophobicContact CD2-CG2 3.88Å; C636-V643 PolarHBondContact SG-O 3.32Å; C636-V643 VanDerWaalsContact SG-O 3.36Å; P637-V643 WeakPolarHBondContact CD-O 3.2Å; P637-V643 HydrophobicContact CG-CB 4.06Å; P637-V643 HydrophobicContact CG-CG1 3.87Å; R640-V643 HydrophobicContact CB-CB 4.17Å; R640-V643 HydrophobicContact CB-CG2 3.85Å; R640-V643 VanDerWaalsContact NH2-CG2 3.26Å; R640-V643 WeakPolarHBondContact O-CB 3.36Å; R640-V643 PolarHBondContact O-N 2.9Å; P641-V643 VanDerWaalsContact C-N 3.26Å; V643-L700 HydrophobicContact CG1-CB 4.27Å; V643-L701 CarbonylContact C-O 3.58Å; V643-L701 VanDerWaalsContact CA-O 3.29Å; V643-L701 WeakPolarHBondContact CA-O 3.36Å; V643-A702 HydrophobicContact CG2-CB 3.95Å
644L96.6Very high94.3Very high3 Ų334.5 Ų34.52%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-76130.9167.8-177.964.3000110.1F632 M646 L701 F733 P734 W739 L742F632-L644 HydrophobicContact CD1-CD1 4.35Å; F632-L644 HydrophobicContact CD1-CD2 3.93Å; F632-L644 HydrophobicContact CD1-CG 4.46Å; F632-L644 HydrophobicContact CE1-CD2 4.17Å; L644-M646 HydrophobicContact CD2-CE 4.26Å; L644-M646 HydrophobicContact CD2-CG 4.14Å; L644-M646 HydrophobicContact CD2-SD 3.95Å; L644-M646 HydrophobicContact CG-CG 4.07Å; L644-M646 HydrophobicContact CG-SD 4.45Å; L644-L701 HydrophobicContact CB-CB 4.34Å; L644-L701 HydrophobicContact CD2-CD2 4.34Å; L644-L701 PolarHBondContact N-O 2.77Å; L644-L701 PolarHBondContact O-N 3.02Å; L644-F733 HydrophobicContact CD2-CD1 4.06Å; L644-P734 HydrophobicContact CD1-CG 4.09Å; L644-P734 HydrophobicContact CD2-CG 4Å; L644-W739 HydrophobicContact CB-CD2 3.72Å; L644-W739 HydrophobicContact CB-CE3 3.64Å; L644-W739 HydrophobicContact CB-CG 4.43Å; L644-W739 HydrophobicContact CB-CH2 3.71Å; L644-W739 HydrophobicContact CB-CZ2 3.83Å; L644-W739 HydrophobicContact CB-CZ3 3.61Å; L644-W739 HydrophobicContact CD1-CD2 4.34Å; L644-W739 HydrophobicContact CD1-CG 4.26Å; L644-W739 HydrophobicContact CD2-CH2 4.36Å; L644-W739 HydrophobicContact CD2-CZ2 3.81Å; L644-W739 HydrophobicContact CG-CD2 4.45Å; L644-W739 HydrophobicContact CG-CZ2 4.38Å; L644-L742 HydrophobicContact CD1-CD1 3.61Å
645V97.7Very high94.2Very high4 Ų438.5 Ų38.52%0.02425%0.246CC..EExtended strand (participates in β ladder)trans-97.7135.6168.5-173.80000109.1V605 I610 A633 P637 V698 L700V605-V645 HydrophobicContact CG1-CG1 4.25Å; V605-V645 HydrophobicContact CG2-CG2 4.33Å; I610-V645 HydrophobicContact CD1-CG1 3.79Å; I610-V645 HydrophobicContact CG1-CG1 4.15Å; A633-V645 HydrophobicContact CB-CB 3.73Å; A633-V645 HydrophobicContact CB-CG1 4.17Å; A633-V645 WeakPolarHBondContact CB-O 3.28Å; A633-V645 PolarHBondContact N-O 2.92Å; P637-V645 HydrophobicContact CG-CG2 3.67Å; V645-V698 HydrophobicContact CG1-CG1 3.91Å; V645-L700 HydrophobicContact CB-CD2 4.28Å; V645-L700 HydrophobicContact CG1-CD2 4.03Å; V645-L700 HydrophobicContact CG2-CD2 3.86Å
646M97.4Very high94.3Very high0 Ų039.1 Ų39.10%025%0.246CC..EExtended strand (participates in β ladder)trans-134.9153.2175.3-65.7167.3-74.800110.7H631 F632 L644 V698 V699 L701 F733H631-M646 CarbonylContact O-C 3.6Å; H631-M646 WeakPolarHBondContact O-CA 3.36Å; H631-M646 WeakPolarHBondContact O-CB 3.19Å; F632-M646 HydrophobicContact CD1-CG 3.64Å; F632-M646 HydrophobicContact CD1-SD 4.01Å; F632-M646 HydrophobicContact CE1-CG 4.03Å; F632-M646 HydrophobicContact CE1-SD 3.77Å; L644-M646 HydrophobicContact CD2-CE 4.26Å; L644-M646 HydrophobicContact CD2-CG 4.14Å; L644-M646 HydrophobicContact CD2-SD 3.95Å; L644-M646 HydrophobicContact CG-CG 4.07Å; L644-M646 HydrophobicContact CG-SD 4.45Å; M646-V698 CarbonylContact O-C 3.6Å; M646-V698 WeakPolarHBondContact O-CA 3.48Å; M646-V699 HydrophobicContact CB-CB 4.27Å; M646-V699 HydrophobicContact CE-CB 4.25Å; M646-V699 HydrophobicContact CE-CG1 3.99Å; M646-V699 PolarHBondContact N-O 3.43Å; M646-V699 PolarHBondContact O-N 3.48Å; M646-L701 HydrophobicContact CE-CB 3.73Å; M646-L701 HydrophobicContact CE-CD2 4.31Å; M646-F733 HydrophobicContact CE-CE1 4.23Å; M646-F733 HydrophobicContact SD-CD1 4.25Å; M646-F733 HydrophobicContact SD-CE1 3.67Å
647V98.1Very high94.5Very high16 Ų1639.1 Ų39.110%0.09725%0.246CC..EExtended strand (participates in β ladder)trans-111.4117.5165.3-176.80000108L607 I610 H631 S649L607-V647 HydrophobicContact CD1-CG1 4Å; L607-V647 HydrophobicContact CD1-CG2 3.8Å; I610-V647 HydrophobicContact CD1-CG2 3.71Å; I610-V647 HydrophobicContact CG2-CG2 4.28Å; H631-V647 HydrophobicContact CB-CB 4.41Å; H631-V647 PolarHBondContact N-O 2.86Å; H631-V647 PolarHBondContact O-N 3.19Å; V647-S649 PolarHBondContact O-N 3.21Å
648A97.9Very high94.7Very high0 Ų038.6 Ų38.60%024%0.242CC..EExtended strand (participates in β ladder)trans-81.7108.4167.300000108.5L629 L630 L663 S696 Q697 V699L629-A648 CarbonylContact O-C 3.54Å; L629-A648 WeakPolarHBondContact O-CA 3.48Å; L630-A648 HydrophobicContact CD2-CB 3.91Å; A648-L663 HydrophobicContact CB-CD2 3.98Å; A648-S696 WeakPolarHBondContact O-CA 3.47Å; A648-Q697 HydrophobicContact CB-CB 4.44Å; A648-Q697 PolarHBondContact N-O 3.37Å; A648-Q697 PolarHBondContact O-N 3.42Å; A648-V699 HydrophobicContact CB-CG2 3.96Å
649S97.6Very high95.1Very high16 Ų1636.5 Ų36.511%0.11222%0.217CC..EExtended strand (participates in β ladder)trans-96.1118.9176.8-59.40000109.3V628 L629 H631 V647 I695V628-S649 WeakPolarHBondContact CA-O 3.23Å; L629-S649 PolarHBondContact N-O 3.2Å; L629-S649 PolarHBondContact O-N 3.4Å; H631-S649 PolarHBondContact CD2-OG 2.98Å; H631-S649 WeakPolarHBondContact NE2-CB 3.49Å; H631-S649 PolarHBondContact NE2-OG 3.39Å; V647-S649 PolarHBondContact O-N 3.21Å; S649-I695 CarbonylContact C-O 3.47Å; S649-I695 WeakPolarHBondContact CA-O 3.29Å
650M97.6Very high95.5Very high4 Ų437.9 Ų37.92%0.0221%0.207CC..EExtended strand (participates in β ladder)trans-109.2126.8-179.6-40-171.6-161.300109.3R627 V628 I661 L663 L683 A694 I695 Q697R627-M650 CarbonylContact O-C 3.54Å; R627-M650 WeakPolarHBondContact O-CA 3.08Å; V628-M650 HydrophobicContact CG1-CG 4.31Å; V628-M650 HydrophobicContact CG2-CB 4.34Å; V628-M650 HydrophobicContact CG2-CG 4.12Å; M650-I661 HydrophobicContact SD-CG2 3.51Å; M650-I661 VanDerWaalsContact SD-CG2 3.51Å; M650-L663 HydrophobicContact CE-CB 3.82Å; M650-L663 HydrophobicContact CE-CD2 3.89Å; M650-L663 HydrophobicContact CE-CG 4.49Å; M650-L683 HydrophobicContact CB-CD1 4.45Å; M650-A694 VanDerWaalsContact O-CA 3.3Å; M650-A694 WeakPolarHBondContact O-CA 3.49Å; M650-I695 HydrophobicContact CB-CB 4.25Å; M650-I695 HydrophobicContact CE-CG2 4.48Å; M650-I695 HydrophobicContact CG-CB 4.48Å; M650-I695 PolarHBondContact N-O 3.41Å; M650-I695 PolarHBondContact O-N 3.06Å; M650-I695 HydrophobicContact SD-CG2 4.45Å; M650-Q697 HydrophobicContact CE-CB 4.04Å
651L96.1Very high95.7Very high47 Ų4735.6 Ų35.625%0.24620%0.199CC..EExtended strand (participates in β ladder)trans-128.4149.6-170.5-69.5165.7000110.8R627 L629 A694R627-L651 HydrophobicContact CB-CB 4.49Å; R627-L651 PolarHBondContact N-O 2.99Å; R627-L651 PolarHBondContact O-N 3.08Å; L629-L651 HydrophobicContact CD1-CD1 4.37Å; L651-A694 HydrophobicContact CD2-CB 3.7Å
652N95.4Very high95.9Very high4 Ų434.2 Ų34.22%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-121121.6174.4-172.828.7000111.6G625 A654 Q656 V658 L683 A684G625-N652 CarbonylContact O-C 3.58Å; G625-N652 WeakPolarHBondContact O-CA 3.44Å; G625-N652 PolarHBondContact O-OD1 3.42Å; N652-A654 PolarHBondContact ND2-O 3.36Å; N652-A654 VanDerWaalsContact OD1-CB 3.23Å; N652-A654 WeakPolarHBondContact OD1-CB 3.28Å; N652-A654 PolarHBondContact OD1-N 3.18Å; N652-Q656 PolarHBondContact ND2-O 3.35Å; N652-V658 HydrophobicContact CB-CG2 4.08Å; N652-L683 HydrophobicContact CB-CB 3.84Å; N652-L683 HydrophobicContact CB-CD1 4.01Å; N652-A684 PolarHBondContact ND2-O 2.97Å
653T94.1Very high96.1Very high70 Ų7033.8 Ų33.843%0.42919%0.186SC..  trans-111.93.6168.759.80000112.4G625 F686G625-T653 WeakPolarHBondContact CA-OG1 3.4Å; G625-T653 PolarHBondContact O-N 2.67Å; G625-T653 PolarHBondContact O-OG1 3.04Å; T653-F686 VanDerWaalsContact C-CB 3.47Å; T653-F686 HydrophobicContact CG2-CD2 4.47Å; T653-F686 WeakPolarHBondContact O-CB 3.45Å
654A92.8Very high96.2Very high8 Ų838.2 Ų38.27%0.06621%0.207CC..SBendtrans-79149175.200000112.1N652 Q656 F686 L719N652-A654 PolarHBondContact ND2-O 3.36Å; N652-A654 VanDerWaalsContact OD1-CB 3.23Å; N652-A654 WeakPolarHBondContact OD1-CB 3.28Å; N652-A654 PolarHBondContact OD1-N 3.18Å; A654-Q656 PolarHBondContact O-N 3.27Å; A654-F686 WeakPolarHBondContact O-CB 3.38Å; A654-F686 PolarHBondContact O-N 3.05Å; A654-L719 HydrophobicContact CB-CD1 3.88Å
655P92.4Very high96.2Very high117 Ų11739.4 Ų39.476%0.7622%0.217SC*.SBendtrans-749.5175.932.9-37.6000113.8
656Q94.8Very high96.2Very high95 Ų9542 Ų4244%0.44424%0.238SC..SBendtrans-121.7151.3179.5-65.5-178.411.200109.8N652 A654 L719N652-Q656 PolarHBondContact ND2-O 3.35Å; A654-Q656 PolarHBondContact O-N 3.27Å; Q656-L719 HydrophobicContact CB-CD1 3.87Å; Q656-L719 HydrophobicContact CB-CG 4.33Å
657P95.6Very high96.1Very high30 Ų3043.6 Ų43.620%0.19525%0.248CC..  trans-70.9149.8175.931.2-34000110.6L683 P685 G720P657-L683 WeakPolarHBondContact CA-O 3.32Å; P657-P685 HydrophobicContact CB-CG 4.12Å; P657-G720 PolarHBondContact O-N 3.37Å
658V97.3Very high96Very high0 Ų045 Ų450%026%0.258CS..EExtended strand (participates in β ladder)trans-108.9133.4172.1-167.30000108.6V626 N652 I661 E682 L683 F717 T718 L719V626-V658 HydrophobicContact CG2-CG1 4.41Å; V626-V658 HydrophobicContact CG2-CG2 3.67Å; N652-V658 HydrophobicContact CB-CG2 4.08Å; V658-I661 HydrophobicContact CB-CD1 4.03Å; V658-I661 HydrophobicContact CB-CG1 4.49Å; V658-I661 HydrophobicContact CG1-CD1 3.69Å; V658-I661 HydrophobicContact CG1-CG1 3.68Å; V658-E682 CarbonylContact O-C 3.49Å; V658-E682 WeakPolarHBondContact O-CA 3.36Å; V658-E682 WeakPolarHBondContact O-CB 3.43Å; V658-L683 HydrophobicContact CB-CB 4.16Å; V658-L683 HydrophobicContact CG2-CB 4.44Å; V658-L683 PolarHBondContact N-O 3.4Å; V658-L683 PolarHBondContact O-N 3.24Å; V658-F717 HydrophobicContact CG1-CB 3.78Å; V658-F717 HydrophobicContact CG1-CD2 3.74Å; V658-F717 HydrophobicContact CG1-CG 4.02Å; V658-T718 CarbonylContact C-O 3.42Å; V658-T718 VanDerWaalsContact CA-O 3.28Å; V658-T718 WeakPolarHBondContact CA-O 3.34Å; V658-L719 HydrophobicContact CG2-CD1 3.85Å
659R95.8Very high95.6Very high90 Ų9057.1 Ų57.134%0.3430%0.304SS..EExtended strand (participates in β ladder)trans-132.7172-178.5-57.2-164.21691020.6112.4I661 A681 E682 F717 T718R659-I661 PolarHBondContact O-N 2.86Å; R659-I661 VanDerWaalsContact O-N 3.16Å; R659-A681 CarbonylContact C-O 3.46Å; R659-E682 HydrophobicContact CB-CG 4.08Å; R659-E682 VanDerWaalsContact CD-CD 3.47Å; R659-E682 WeakPolarHBondContact CD-OE1 3.22Å; R659-E682 VanDerWaalsContact CD-OE2 3.3Å; R659-E682 WeakPolarHBondContact CD-OE2 3.46Å; R659-E682 HydrophobicContact CG-CB 4.39Å; R659-E682 HydrophobicContact CG-CG 3.91Å; R659-E682 WeakPolarHBondContact CG-OE2 3.44Å; R659-E682 IonicContact CZ-OE2 3.45Å; R659-E682 IonicContact NE-OE1 3.49Å; R659-E682 IonicContact NE-OE2 3.41Å; R659-E682 PolarHBondContact NE-OE2 2.99Å; R659-F717 CarbonylContact O-C 3.56Å; R659-F717 WeakPolarHBondContact O-CA 3.39Å; R659-T718 PolarHBondContact N-O 3.2Å; R659-T718 PolarHBondContact O-N 2.89Å
660N94.4Very high95.3Very high104 Ų10458.8 Ų58.856%0.55631%0.313SS*.EExtended strand (participates in β ladder)trans53.735.8174.4-55.3-52.8000112.8V662 A681 T718N660-V662 PolarHBondContact O-N 3.03Å; N660-A681 PolarHBondContact N-O 3.42Å; N660-T718 PolarHBondContact ND2-OG1 3.46Å
661I96.4Very high95.2Very high16 Ų1658.9 Ų58.98%0.08231%0.314CS..EExtended strand (participates in β ladder)trans-73115.6-171.3-60.5164.4000109.6M650 V658 R659 A681 L683 I695 L715 M716 F717M650-I661 HydrophobicContact SD-CG2 3.51Å; M650-I661 VanDerWaalsContact SD-CG2 3.51Å; V658-I661 HydrophobicContact CB-CD1 4.03Å; V658-I661 HydrophobicContact CB-CG1 4.49Å; V658-I661 HydrophobicContact CG1-CD1 3.69Å; V658-I661 HydrophobicContact CG1-CG1 3.68Å; R659-I661 PolarHBondContact O-N 2.86Å; R659-I661 VanDerWaalsContact O-N 3.16Å; I661-A681 PolarHBondContact N-O 3.09Å; I661-A681 VanDerWaalsContact N-O 3.08Å; I661-L683 HydrophobicContact CD1-CB 4.42Å; I661-L683 HydrophobicContact CD1-CD1 3.83Å; I661-L683 HydrophobicContact CD1-CG 3.72Å; I661-I695 HydrophobicContact CB-CD1 4.48Å; I661-I695 HydrophobicContact CD1-CD1 3.56Å; I661-L715 HydrophobicContact CG2-CD1 4.42Å; I661-M716 WeakPolarHBondContact CA-O 3.44Å; I661-F717 HydrophobicContact CG1-CB 4.06Å
662V96.5Very high95.2Very high64 Ų6460.5 Ų60.539%0.38832%0.319SS..EExtended strand (participates in β ladder)trans-130.4111.1179179.90000109.5N660 Q664 M716N660-V662 PolarHBondContact O-N 3.03Å; V662-Q664 HydrophobicContact CG1-CG 4.23Å; V662-M716 HydrophobicContact CB-CB 4.47Å; V662-M716 HydrophobicContact CB-CE 3.88Å; V662-M716 HydrophobicContact CG1-CE 3.6Å; V662-M716 PolarHBondContact N-O 2.89Å; V662-M716 PolarHBondContact O-N 2.97Å
663L97.5Very high95.3Very high21 Ų2162.1 Ų62.111%0.1133%0.328CS..EExtended strand (participates in β ladder)trans-92.8135.2168.2-17864.7000110.2A648 M650 L675 L715A648-L663 HydrophobicContact CB-CD2 3.98Å; M650-L663 HydrophobicContact CE-CB 3.82Å; M650-L663 HydrophobicContact CE-CD2 3.89Å; M650-L663 HydrophobicContact CE-CG 4.49Å; L663-L675 HydrophobicContact CB-CD2 4.27Å; L663-L675 HydrophobicContact CD2-CD2 4.28Å; L663-L675 HydrophobicContact CG-CD2 4.02Å; L663-L675 VanDerWaalsContact O-CD2 3.26Å; L663-L675 WeakPolarHBondContact O-CD2 3.39Å; L663-L715 HydrophobicContact CB-CD1 4.37Å; L663-L715 HydrophobicContact CD1-CB 4.49Å; L663-L715 HydrophobicContact CD1-CD1 4.27Å
664Q97.6Very high95.4Very high94 Ų9461.3 Ų61.344%0.43932%0.319SS..EExtended strand (participates in β ladder)trans-127.3146170-59.8-179.2-24.800108.7V662 Y713 K714V662-Q664 HydrophobicContact CG1-CG 4.23Å; Q664-Y713 CarbonylContact O-C 3.58Å; Q664-Y713 WeakPolarHBondContact O-CA 3.27Å; Q664-Y713 WeakPolarHBondContact O-CB 3.48Å; Q664-K714 HydrophobicContact CB-CB 4.34Å; Q664-K714 PolarHBondContact N-O 3.03Å; Q664-K714 PolarHBondContact O-N 3.44Å
665A97.2Very high95.7Very high27 Ų2763 Ų6322%0.22333%0.327CS..EExtended strand (participates in β ladder)trans-131.4151.2177.600000112.2V673 L675 M711 R712A665-V673 HydrophobicContact CB-CG1 4.26Å; A665-V673 HydrophobicContact CB-CG2 4.13Å; A665-L675 HydrophobicContact CB-CD1 3.76Å; A665-M711 HydrophobicContact CB-CG 4.1Å; A665-M711 HydrophobicContact CB-SD 3.87Å; A665-R712 CarbonylContact C-O 3.57Å; A665-R712 WeakPolarHBondContact CA-O 3.39Å
666A97Very high95.9Very high58 Ų5857.9 Ų57.948%0.47929%0.293SS..EExtended strand (participates in β ladder)trans-141.6143.1176.500000110.8R712A666-R712 PolarHBondContact N-O 2.83Å; A666-R712 PolarHBondContact O-N 2.93Å
667V96.9Very high96Very high34 Ų3458.3 Ų58.321%0.20630%0.304CS..  trans-135.6165.9-172.1-65.40000110.8M671 V673 L701 M711V667-M671 HydrophobicContact CB-CB 4.14Å; V667-M671 HydrophobicContact CG2-CB 3.82Å; V667-V673 HydrophobicContact CG1-CB 4Å; V667-V673 HydrophobicContact CG1-CG1 4.18Å; V667-V673 HydrophobicContact CG2-CB 3.99Å; V667-V673 HydrophobicContact CG2-CG1 3.99Å; V667-L701 HydrophobicContact CB-CD1 4.4Å; V667-L701 HydrophobicContact CG1-CD1 3.8Å; V667-L701 HydrophobicContact CG2-CD1 4.44Å; V667-M711 HydrophobicContact CG1-CB 4.17Å; V667-M711 HydrophobicContact CG1-CG 3.89Å
668P94.3Very high96Very high46 Ų4659.4 Ų59.430%0.29931%0.311SS..  trans-49150.9171.9-31.236.2000113.5T670 M671 R710P668-T670 PolarHBondContact O-N 2.78Å; P668-T670 VanDerWaalsContact O-N 3.13Å; P668-M671 HydrophobicContact CB-CG 4.49Å; P668-M671 HydrophobicContact CB-SD 4.48Å; P668-M671 HydrophobicContact CG-CE 4.46Å; P668-M671 HydrophobicContact CG-SD 4.21Å; P668-M671 CarbonylContact O-C 3.56Å; P668-M671 WeakPolarHBondContact O-CA 3.24Å; P668-M671 PolarHBondContact O-N 3.33Å; P668-M671 VanDerWaalsContact O-O 3.09Å; P668-R710 WeakPolarHBondContact CD-O 3.45Å
669R91.2Very high95.9Very high254 Ų25463.2 Ų63.296%0.95834%0.338SS*.THydrogen-bonded Turntrans-64.1-18.2-177.5-66-173.7178.5-160.90.3114.3M671R669-M671 VanDerWaalsContact C-N 3.26Å
670T91.3Very high95.8Very high51 Ų5160.3 Ų60.331%0.31334%0.336SS..THydrogen-bonded Turntrans-77.2-11.117344.90000113.2P668 P704 L705 E707P668-T670 PolarHBondContact O-N 2.78Å; P668-T670 VanDerWaalsContact O-N 3.13Å; T670-P704 WeakPolarHBondContact O-CD 3.25Å; T670-L705 HydrophobicContact CG2-CD1 3.73Å; T670-E707 WeakPolarHBondContact CB-OE2 3.42Å; T670-E707 WeakPolarHBondContact CG2-OE2 3.4Å; T670-E707 PolarHBondContact OG1-OE2 2.68Å
671M95.4Very high95.4Very high7 Ų757.9 Ų57.93%0.03433%0.33CS..SBendtrans-119.3164.6-178.5-58.6178.6-169.800110.3V667 P668 R669 L701 A702 N703 E707 V709V667-M671 HydrophobicContact CB-CB 4.14Å; V667-M671 HydrophobicContact CG2-CB 3.82Å; P668-M671 HydrophobicContact CB-CG 4.49Å; P668-M671 HydrophobicContact CB-SD 4.48Å; P668-M671 HydrophobicContact CG-CE 4.46Å; P668-M671 HydrophobicContact CG-SD 4.21Å; P668-M671 CarbonylContact O-C 3.56Å; P668-M671 WeakPolarHBondContact O-CA 3.24Å; P668-M671 PolarHBondContact O-N 3.33Å; P668-M671 VanDerWaalsContact O-O 3.09Å; R669-M671 VanDerWaalsContact C-N 3.26Å; M671-L701 HydrophobicContact CB-CD1 4.43Å; M671-A702 VanDerWaalsContact CA-O 3.23Å; M671-A702 WeakPolarHBondContact CA-O 3.22Å; M671-A702 VanDerWaalsContact CB-O 3.31Å; M671-A702 WeakPolarHBondContact CB-O 3.31Å; M671-N703 HydrophobicContact CG-CB 4.36Å; M671-E707 HydrophobicContact CE-CB 3.67Å; M671-V709 HydrophobicContact CE-CG2 4.2Å; M671-V709 HydrophobicContact SD-CB 4.45Å; M671-V709 HydrophobicContact SD-CG1 4.4Å; M671-V709 HydrophobicContact SD-CG2 4.12Å
672K96.1Very high95.3Very high81 Ų8162.2 Ų62.235%0.35235%0.35SS..EExtended strand (participates in β ladder)trans-133143.1170.8-59.6-98.3-169163.10108.9E597 V598 L600 A702E597-K672 IonicContact OE1-NZ 2.63Å; E597-K672 PolarHBondContact OE1-NZ 2.86Å; V598-K672 VanDerWaalsContact O-CE 3.25Å; V598-K672 WeakPolarHBondContact O-CE 3.3Å; V598-K672 WeakPolarHBondContact O-CG 3.39Å; L600-K672 HydrophobicContact CD1-CB 4.13Å; L600-K672 WeakPolarHBondContact CD1-O 3.31Å; L600-K672 HydrophobicContact CG-CB 4.5Å; K672-A702 HydrophobicContact CB-CB 4.36Å; K672-A702 PolarHBondContact N-O 2.81Å; K672-A702 VanDerWaalsContact N-O 3.07Å; K672-A702 PolarHBondContact O-N 3.07Å
673V97.1Very high95.3Very high37 Ų3759.4 Ų59.422%0.22433%0.332CS..EExtended strand (participates in β ladder)trans-122.7140.317567.90000109.8A665 V667 L675 V699 L700 M711A665-V673 HydrophobicContact CB-CG1 4.26Å; A665-V673 HydrophobicContact CB-CG2 4.13Å; V667-V673 HydrophobicContact CG1-CB 4Å; V667-V673 HydrophobicContact CG1-CG1 4.18Å; V667-V673 HydrophobicContact CG2-CB 3.99Å; V667-V673 HydrophobicContact CG2-CG1 3.99Å; V673-L675 HydrophobicContact CG2-CD1 4.01Å; V673-V699 HydrophobicContact CG2-CG1 3.82Å; V673-L700 CarbonylContact C-O 3.55Å; V673-L700 WeakPolarHBondContact CA-O 3.22Å; V673-M711 HydrophobicContact CG2-SD 4.47Å
674K96.8Very high95.1Very high53 Ų5361.1 Ų61.123%0.2335%0.35CS..EExtended strand (participates in β ladder)trans-133123.7173.1174.5178.1175.2-172.60108.9L600 A601 V603 L700L600-K674 HydrophobicContact CB-CB 3.77Å; L600-K674 HydrophobicContact CB-CD 4.04Å; L600-K674 HydrophobicContact CD1-CB 3.86Å; L600-K674 HydrophobicContact CG-CB 4.45Å; L600-K674 WeakPolarHBondContact O-CD 3.21Å; L600-K674 PolarHBondContact O-NZ 3.02Å; A601-K674 PolarHBondContact O-NZ 3.08Å; V603-K674 PolarHBondContact O-NZ 2.83Å; K674-L700 HydrophobicContact CB-CB 4.41Å; K674-L700 HydrophobicContact CD-CD1 4.48Å; K674-L700 PolarHBondContact N-O 2.9Å; K674-L700 PolarHBondContact O-N 3.34Å
675L97.4Very high95Very high45 Ų4559.7 Ų59.724%0.23635%0.348CS..EExtended strand (participates in β ladder)trans-91.8132.2168.3-80.665.1000107.7L663 A665 V673 V699L663-L675 HydrophobicContact CB-CD2 4.27Å; L663-L675 HydrophobicContact CD2-CD2 4.28Å; L663-L675 HydrophobicContact CG-CD2 4.02Å; L663-L675 VanDerWaalsContact O-CD2 3.26Å; L663-L675 WeakPolarHBondContact O-CD2 3.39Å; A665-L675 HydrophobicContact CB-CD1 3.76Å; V673-L675 HydrophobicContact CG2-CD1 4.01Å; L675-V699 HydrophobicContact CD1-CG1 3.95Å; L675-V699 HydrophobicContact CG-CG1 4.4Å; L675-V699 HydrophobicContact CG-CG2 4.23Å
676Q97.4Very high94.7Very high9 Ų962.5 Ų62.54%0.04236%0.356CS..EExtended strand (participates in β ladder)trans-81169.4167.2-57.4-165.558.300109.5V605 Q697 V698V605-Q676 PolarHBondContact O-NE2 2.76Å; V605-Q676 PolarHBondContact O-OE1 2.69Å; Q676-Q697 VanDerWaalsContact O-CG 3.29Å; Q676-Q697 WeakPolarHBondContact O-CG 3.37Å; Q676-Q697 PolarHBondContact O-NE2 3.02Å; Q676-V698 HydrophobicContact CB-CB 4.18Å; Q676-V698 HydrophobicContact CG-CB 4.1Å; Q676-V698 PolarHBondContact N-O 2.59Å
677P96.4Very high94.3Very high104 Ų10462.9 Ų62.968%0.67535%0.35SS*.EExtended strand (participates in β ladder)trans-55.6140.8171-24.935.7000111.5
678P96.8Very high93.9Very high52 Ų5266.6 Ų66.634%0.33838%0.375SS..EExtended strand (participates in β ladder)trans-74.9158.1172.233.5-35.2000110.9G680 I695 Q697P678-G680 WeakPolarHBondContact CB-O 3.4Å; P678-G680 WeakPolarHBondContact CG-O 3.09Å; P678-G680 PolarHBondContact O-N 3.35Å; P678-I695 HydrophobicContact CB-CG2 3.74Å; P678-Q697 HydrophobicContact CB-CB 4.01Å; P678-Q697 HydrophobicContact CB-CG 4.04Å
679S95.2Very high93.7Very high81 Ų8171.6 Ų71.657%0.56640%0.397SS*.SBendtrans-68.3-10.9175.767.30000114.5I695 S696S679-I695 WeakPolarHBondContact OG-CA 3.2Å; S679-S696 PolarHBondContact N-O 2.87Å; S679-S696 PolarHBondContact OG-N 3.24Å; S679-S696 PolarHBondContact OG-O 3.16Å
680G91.9Very high93.4Very high29 Ų2964.5 Ų64.530%0.29938%0.378SS..  trans-173.3177.3178.400000111.6P678 I695P678-G680 WeakPolarHBondContact CB-O 3.4Å; P678-G680 WeakPolarHBondContact CG-O 3.09Å; P678-G680 PolarHBondContact O-N 3.35Å; G680-I695 WeakPolarHBondContact O-CD1 3.34Å
681A87.8Confident93.1Very high52 Ų5267.7 Ų67.743%0.4340%0.4SS..SBendtrans-127.4-2.6179.900000114R659 N660 I661R659-A681 CarbonylContact C-O 3.46Å; N660-A681 PolarHBondContact N-O 3.42Å; I661-A681 PolarHBondContact N-O 3.09Å; I661-A681 VanDerWaalsContact N-O 3.08Å
682E93.6Very high92.5Very high108 Ų10870.9 Ų70.951%0.50542%0.421SS..  trans-132149.6176.8-53.8-162.5-174.900111V658 R659V658-E682 CarbonylContact O-C 3.49Å; V658-E682 WeakPolarHBondContact O-CA 3.36Å; V658-E682 WeakPolarHBondContact O-CB 3.43Å; R659-E682 HydrophobicContact CB-CG 4.08Å; R659-E682 VanDerWaalsContact CD-CD 3.47Å; R659-E682 WeakPolarHBondContact CD-OE1 3.22Å; R659-E682 VanDerWaalsContact CD-OE2 3.3Å; R659-E682 WeakPolarHBondContact CD-OE2 3.46Å; R659-E682 HydrophobicContact CG-CB 4.39Å; R659-E682 HydrophobicContact CG-CG 3.91Å; R659-E682 WeakPolarHBondContact CG-OE2 3.44Å; R659-E682 IonicContact CZ-OE2 3.45Å; R659-E682 IonicContact NE-OE1 3.49Å; R659-E682 IonicContact NE-OE2 3.41Å; R659-E682 PolarHBondContact NE-OE2 2.99Å
683L95.6Very high91.9Very high4 Ų469.3 Ų69.32%0.02142%0.423CS..BIsolated β-bridgetrans-120.7132.9170.5-62.9168.2000108.9M650 N652 P657 V658 I661 A693 I695M650-L683 HydrophobicContact CB-CD1 4.45Å; N652-L683 HydrophobicContact CB-CB 3.84Å; N652-L683 HydrophobicContact CB-CD1 4.01Å; P657-L683 WeakPolarHBondContact CA-O 3.32Å; V658-L683 HydrophobicContact CB-CB 4.16Å; V658-L683 HydrophobicContact CG2-CB 4.44Å; V658-L683 PolarHBondContact N-O 3.4Å; V658-L683 PolarHBondContact O-N 3.24Å; I661-L683 HydrophobicContact CD1-CB 4.42Å; I661-L683 HydrophobicContact CD1-CD1 3.83Å; I661-L683 HydrophobicContact CD1-CG 3.72Å; L683-A693 HydrophobicContact CD2-CB 4.48Å; L683-I695 HydrophobicContact CD2-CB 4.32Å; L683-I695 HydrophobicContact CD2-CD1 3.87Å; L683-I695 HydrophobicContact CD2-CG1 3.74Å; L683-I695 HydrophobicContact CG-CD1 3.89Å; L683-I695 HydrophobicContact CG-CG1 4.33Å
684A94.1Very high91.8Very high57 Ų5770.1 Ų70.147%0.47143%0.433SS..PPolyproline II helixtrans-60.1157.117400000111.5N652 A693N652-A684 PolarHBondContact ND2-O 2.97Å; A684-A693 HydrophobicContact CB-CB 4.33Å
685P94.6Very high91.8Very high64 Ų6467.8 Ų67.842%0.41642%0.423SS..PPolyproline II helixtrans-56.7149.5167.8-17.330000110.7P657 N687P657-P685 HydrophobicContact CB-CG 4.12Å; P685-N687 PolarHBondContact O-N 3.37Å
686F92.7Very high91.8Very high86 Ų8667 Ų6738%0.37742%0.422SS..PPolyproline II helixtrans-62.3126174.5-179.8-110000111.3T653 A654 P688 P692T653-F686 VanDerWaalsContact C-CB 3.47Å; T653-F686 HydrophobicContact CG2-CD2 4.47Å; T653-F686 WeakPolarHBondContact O-CB 3.45Å; A654-F686 WeakPolarHBondContact O-CB 3.38Å; A654-F686 PolarHBondContact O-N 3.05Å; F686-P688 HydrophobicContact CD1-CG 4.46Å; F686-P688 HydrophobicContact CE1-CG 3.9Å; F686-P692 HydrophobicContact CE2-CG 4.24Å
687N88.5Confident91.8Very high67 Ų6767.3 Ų67.336%0.35842%0.423SS..  trans-124.2114.3176.4-179.6-13.7000108.5P685 I689 L690P685-N687 PolarHBondContact O-N 3.37Å; N687-I689 PolarHBondContact O-N 3.44Å; N687-I689 WeakPolarHBondContact OD1-CB 3.33Å; N687-I689 PolarHBondContact OD1-N 3.14Å; N687-L690 HydrophobicContact CB-CB 4.41Å; N687-L690 PolarHBondContact O-N 3.09Å; N687-L690 VanDerWaalsContact O-O 3.09Å
688P88.1Confident91.9Very high111 Ų11162.9 Ų62.972%0.72139%0.394SS*.THydrogen-bonded Turntrans-58.5-18.3-179.8-25.434.1000115.6F686F686-P688 HydrophobicContact CD1-CG 4.46Å; F686-P688 HydrophobicContact CE1-CG 3.9Å
689I90Very high91.9Very high151 Ų15160.5 Ų60.577%0.77438%0.378SS*.THydrogen-bonded Turntrans-89.4-20.9-176.3-54174.8000111.6N687N687-I689 PolarHBondContact O-N 3.44Å; N687-I689 WeakPolarHBondContact OD1-CB 3.33Å; N687-I689 PolarHBondContact OD1-N 3.14Å
690L84.4Confident92Very high106 Ų10656.6 Ų56.656%0.55535%0.351SS*.SBendtrans-114.9149-174.5-62.6179.6000111.7N687N687-L690 HydrophobicContact CB-CB 4.41Å; N687-L690 PolarHBondContact O-N 3.09Å; N687-L690 VanDerWaalsContact O-O 3.09Å
691P85Confident92.3Very high118 Ų11855.2 Ų55.277%0.76634%0.337SS*.PPolyproline II helixtrans-53.5130.4169.6-25.835.1000111A693P691-A693 PolarHBondContact O-N 3.12Å
692P82.2Confident92.7Very high74 Ų7452.8 Ų52.848%0.48132%0.317SS..PPolyproline II helixtrans-57.6126.9-179.5-27.635.7000112.1F686F686-P692 HydrophobicContact CE2-CG 4.24Å
693A84.9Confident92.8Very high48 Ų4847.7 Ų47.740%0.39729%0.293SS..PPolyproline II helixtrans-61.3140.6174.300000110.5L683 A684 P691L683-A693 HydrophobicContact CD2-CB 4.48Å; A684-A693 HydrophobicContact CB-CB 4.33Å; P691-A693 PolarHBondContact O-N 3.12Å
694A94.1Very high92.7Very high53 Ų5350 Ų5044%0.43831%0.309SS..EExtended strand (participates in β ladder)trans-134142.1-178.500000111.4M650 L651M650-A694 VanDerWaalsContact O-CA 3.3Å; M650-A694 WeakPolarHBondContact O-CA 3.49Å; L651-A694 HydrophobicContact CD2-CB 3.7Å
695I96.7Very high92.6Very high4 Ų452.4 Ų52.42%0.02131%0.313CS..EExtended strand (participates in β ladder)trans-102.2129.5164.7-71.8161000107.9S649 M650 I661 P678 S679 G680 L683S649-I695 CarbonylContact C-O 3.47Å; S649-I695 WeakPolarHBondContact CA-O 3.29Å; M650-I695 HydrophobicContact CB-CB 4.25Å; M650-I695 HydrophobicContact CE-CG2 4.48Å; M650-I695 HydrophobicContact CG-CB 4.48Å; M650-I695 PolarHBondContact N-O 3.41Å; M650-I695 PolarHBondContact O-N 3.06Å; M650-I695 HydrophobicContact SD-CG2 4.45Å; I661-I695 HydrophobicContact CB-CD1 4.48Å; I661-I695 HydrophobicContact CD1-CD1 3.56Å; P678-I695 HydrophobicContact CB-CG2 3.74Å; S679-I695 WeakPolarHBondContact OG-CA 3.2Å; G680-I695 WeakPolarHBondContact O-CD1 3.34Å; L683-I695 HydrophobicContact CD2-CB 4.32Å; L683-I695 HydrophobicContact CD2-CD1 3.87Å; L683-I695 HydrophobicContact CD2-CG1 3.74Å; L683-I695 HydrophobicContact CG-CD1 3.89Å; L683-I695 HydrophobicContact CG-CG1 4.33Å
696S96.9Very high92.5Very high30 Ų3055 Ų5521%0.2132%0.317CS..EExtended strand (participates in β ladder)trans-107.4130.8172.4-630000109.6A648 S679A648-S696 WeakPolarHBondContact O-CA 3.47Å; S679-S696 PolarHBondContact N-O 2.87Å; S679-S696 PolarHBondContact OG-N 3.24Å; S679-S696 PolarHBondContact OG-O 3.16Å
697Q97.8Very high92.4Very high15 Ų1554.7 Ų54.77%0.0732%0.317CS..EExtended strand (participates in β ladder)trans-131122.1174.9-170.6174.822.900110.2A648 M650 Q676 P678 V699A648-Q697 HydrophobicContact CB-CB 4.44Å; A648-Q697 PolarHBondContact N-O 3.37Å; A648-Q697 PolarHBondContact O-N 3.42Å; M650-Q697 HydrophobicContact CE-CB 4.04Å; Q676-Q697 VanDerWaalsContact O-CG 3.29Å; Q676-Q697 WeakPolarHBondContact O-CG 3.37Å; Q676-Q697 PolarHBondContact O-NE2 3.02Å; P678-Q697 HydrophobicContact CB-CB 4.01Å; P678-Q697 HydrophobicContact CB-CG 4.04Å; Q697-V699 PolarHBondContact O-N 2.83Å
698V98.1Very high92.6Very high10 Ų1059.7 Ų59.76%0.06134%0.336CS..EExtended strand (participates in β ladder)trans-77.5126.9179.9-172.20000110L607 I610 V645 M646 Q676 L700L607-V698 HydrophobicContact CB-CG2 4.46Å; L607-V698 HydrophobicContact CD1-CG2 4.08Å; I610-V698 HydrophobicContact CD1-CB 4.45Å; I610-V698 HydrophobicContact CD1-CG1 3.81Å; I610-V698 HydrophobicContact CD1-CG2 3.74Å; V645-V698 HydrophobicContact CG1-CG1 3.91Å; M646-V698 CarbonylContact O-C 3.6Å; M646-V698 WeakPolarHBondContact O-CA 3.48Å; Q676-V698 HydrophobicContact CB-CB 4.18Å; Q676-V698 HydrophobicContact CG-CB 4.1Å; Q676-V698 PolarHBondContact N-O 2.59Å; V698-L700 HydrophobicContact CG1-CD2 4.18Å
699V97.9Very high92.9Very high2 Ų254.7 Ų54.71%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-115.2124179.1-170.60000108.7M646 A648 V673 L675 Q697M646-V699 HydrophobicContact CB-CB 4.27Å; M646-V699 HydrophobicContact CE-CB 4.25Å; M646-V699 HydrophobicContact CE-CG1 3.99Å; M646-V699 PolarHBondContact N-O 3.43Å; M646-V699 PolarHBondContact O-N 3.48Å; A648-V699 HydrophobicContact CB-CG2 3.96Å; V673-V699 HydrophobicContact CG2-CG1 3.82Å; L675-V699 HydrophobicContact CD1-CG1 3.95Å; L675-V699 HydrophobicContact CG-CG1 4.4Å; L675-V699 HydrophobicContact CG-CG2 4.23Å; Q697-V699 PolarHBondContact O-N 2.83Å
700L97.7Very high93.1Very high0 Ų052.7 Ų52.70%029%0.286CS..EExtended strand (participates in β ladder)trans-107.7130178.4-56.4176.5000109.3L600 V603 V605 V643 V645 V673 K674 V698L600-L700 HydrophobicContact CD1-CB 4.28Å; L600-L700 WeakPolarHBondContact CD1-O 3.49Å; L600-L700 HydrophobicContact CD2-CB 4.34Å; V603-L700 HydrophobicContact CB-CD1 4.14Å; V603-L700 HydrophobicContact CG1-CD1 3.82Å; V603-L700 WeakPolarHBondContact O-CD1 3.41Å; V605-L700 HydrophobicContact CB-CD2 4.34Å; V605-L700 HydrophobicContact CG2-CD2 3.82Å; V643-L700 HydrophobicContact CG1-CB 4.27Å; V645-L700 HydrophobicContact CB-CD2 4.28Å; V645-L700 HydrophobicContact CG1-CD2 4.03Å; V645-L700 HydrophobicContact CG2-CD2 3.86Å; V673-L700 CarbonylContact C-O 3.55Å; V673-L700 WeakPolarHBondContact CA-O 3.22Å; K674-L700 HydrophobicContact CB-CB 4.41Å; K674-L700 HydrophobicContact CD-CD1 4.48Å; K674-L700 PolarHBondContact N-O 2.9Å; K674-L700 PolarHBondContact O-N 3.34Å; V698-L700 HydrophobicContact CG1-CD2 4.18Å
701L97.3Very high93.7Very high0 Ų047.9 Ų47.90%026%0.261CS..EExtended strand (participates in β ladder)trans-126.8112.7-178.517367.9000110.6V643 L644 M646 V667 M671 V709 F733 W739V643-L701 CarbonylContact C-O 3.58Å; V643-L701 VanDerWaalsContact CA-O 3.29Å; V643-L701 WeakPolarHBondContact CA-O 3.36Å; L644-L701 HydrophobicContact CB-CB 4.34Å; L644-L701 HydrophobicContact CD2-CD2 4.34Å; L644-L701 PolarHBondContact N-O 2.77Å; L644-L701 PolarHBondContact O-N 3.02Å; M646-L701 HydrophobicContact CE-CB 3.73Å; M646-L701 HydrophobicContact CE-CD2 4.31Å; V667-L701 HydrophobicContact CB-CD1 4.4Å; V667-L701 HydrophobicContact CG1-CD1 3.8Å; V667-L701 HydrophobicContact CG2-CD1 4.44Å; M671-L701 HydrophobicContact CB-CD1 4.43Å; L701-V709 HydrophobicContact CD2-CB 4.41Å; L701-V709 HydrophobicContact CD2-CG1 3.57Å; L701-V709 HydrophobicContact CD2-CG2 3.91Å; L701-F733 HydrophobicContact CD2-CD1 4.29Å; L701-F733 HydrophobicContact CD2-CE1 4.19Å; L701-W739 HydrophobicContact CD2-CH2 3.85Å; L701-W739 HydrophobicContact CD2-CZ2 4.31Å; L701-W739 HydrophobicContact CG-CH2 4.09Å
702A96.8Very high94.3Very high0 Ų048.9 Ų48.90%025%0.249CC..EExtended strand (participates in β ladder)trans-91.1128.7173.700000111.5V598 L600 D642 V643 M671 K672V598-A702 HydrophobicContact CG1-CB 3.54Å; L600-A702 HydrophobicContact CD1-CB 4.16Å; L600-A702 HydrophobicContact CD2-CB 4.1Å; L600-A702 HydrophobicContact CG-CB 4.12Å; D642-A702 CarbonylContact O-C 3.55Å; D642-A702 WeakPolarHBondContact O-CA 3.19Å; V643-A702 HydrophobicContact CG2-CB 3.95Å; M671-A702 VanDerWaalsContact CA-O 3.23Å; M671-A702 WeakPolarHBondContact CA-O 3.22Å; M671-A702 VanDerWaalsContact CB-O 3.31Å; M671-A702 WeakPolarHBondContact CB-O 3.31Å; K672-A702 HydrophobicContact CB-CB 4.36Å; K672-A702 PolarHBondContact N-O 2.81Å; K672-A702 VanDerWaalsContact N-O 3.07Å; K672-A702 PolarHBondContact O-N 3.07Å
703N96.3Very high95.1Very high2 Ų246.5 Ų46.51%0.01123%0.231CC..  trans-13573.3179.2-175.57.7000110.7D642 M671 L705 K706 E707 W739D642-N703 PolarHBondContact O-N 3.33Å; M671-N703 HydrophobicContact CG-CB 4.36Å; N703-L705 PolarHBondContact O-N 3.37Å; N703-K706 PolarHBondContact O-N 3.5Å; N703-K706 PolarHBondContact OD1-N 3.35Å; N703-E707 PolarHBondContact ND2-N 2.71Å; N703-E707 PolarHBondContact ND2-O 3.48Å; N703-E707 PolarHBondContact OD1-N 2.88Å; N703-W739 HydrophobicContact CB-CH2 3.41Å; N703-W739 VanDerWaalsContact CB-CH2 3.41Å; N703-W739 HydrophobicContact CB-CZ2 4.46Å; N703-W739 HydrophobicContact CB-CZ3 3.5Å; N703-W739 VanDerWaalsContact CB-CZ3 3.5Å
704P92.9Very high95.7Very high53 Ų5347.8 Ų47.834%0.34423%0.227SC..THydrogen-bonded Turntrans-63.5-26.6-175.129.1-39.3000113.6V598 T670V598-P704 HydrophobicContact CG2-CB 3.93Å; V598-P704 HydrophobicContact CG2-CG 3.84Å; T670-P704 WeakPolarHBondContact O-CD 3.25Å
705L92.1Very high95.9Very high107 Ų10745.3 Ų45.356%0.5621%0.207SC*.THydrogen-bonded Turntrans-92.2-0-178-57.2-172.7000113.4T670 N703 E707T670-L705 HydrophobicContact CG2-CD1 3.73Å; N703-L705 PolarHBondContact O-N 3.37Å; L705-E707 HydrophobicContact CB-CG 3.87Å; L705-E707 PolarHBondContact O-N 2.81Å; L705-E707 VanDerWaalsContact O-N 3.14Å
706K92.4Very high95.9Very high117 Ų11747.1 Ų47.151%0.50922%0.216SC..  trans54.226.3-176-66-176.5158-1700114.5N703 A736 D737N703-K706 PolarHBondContact O-N 3.5Å; N703-K706 PolarHBondContact OD1-N 3.35Å; K706-A736 HydrophobicContact CB-CB 3.77Å; K706-A736 HydrophobicContact CG-CB 3.92Å; K706-D737 WeakPolarHBondContact CD-OD1 3.24Å; K706-D737 WeakPolarHBondContact CE-OD1 3.48Å; K706-D737 IonicContact NZ-OD1 2.7Å; K706-D737 PolarHBondContact NZ-OD1 3.49Å
707E90.9Very high95.9Very high81 Ų8146 Ų4638%0.37921%0.207SC..PPolyproline II helixtrans-69161.3-179.6-72176.9169.100111.9T670 M671 N703 L705 V709T670-E707 WeakPolarHBondContact CB-OE2 3.42Å; T670-E707 WeakPolarHBondContact CG2-OE2 3.4Å; T670-E707 PolarHBondContact OG1-OE2 2.68Å; M671-E707 HydrophobicContact CE-CB 3.67Å; N703-E707 PolarHBondContact ND2-N 2.71Å; N703-E707 PolarHBondContact ND2-O 3.48Å; N703-E707 PolarHBondContact OD1-N 2.88Å; L705-E707 HydrophobicContact CB-CG 3.87Å; L705-E707 PolarHBondContact O-N 2.81Å; L705-E707 VanDerWaalsContact O-N 3.14Å; E707-V709 PolarHBondContact O-N 3.03Å
708K92Very high95.9Very high172 Ų17246.5 Ų46.575%0.74821%0.211SC*.PPolyproline II helixtrans-63120.9174.4-178.4175.5178.81760110.2
709V95.5Very high95.7Very high6 Ų646.8 Ų46.84%0.03621%0.213CC..PPolyproline II helixtrans-70.3135.9178.2-1770000111.4M671 L701 E707 F733 W739M671-V709 HydrophobicContact CE-CG2 4.2Å; M671-V709 HydrophobicContact SD-CB 4.45Å; M671-V709 HydrophobicContact SD-CG1 4.4Å; M671-V709 HydrophobicContact SD-CG2 4.12Å; L701-V709 HydrophobicContact CD2-CB 4.41Å; L701-V709 HydrophobicContact CD2-CG1 3.57Å; L701-V709 HydrophobicContact CD2-CG2 3.91Å; E707-V709 PolarHBondContact O-N 3.03Å; V709-F733 HydrophobicContact CB-CB 3.9Å; V709-F733 HydrophobicContact CB-CD1 4.31Å; V709-F733 HydrophobicContact CB-CD2 3.78Å; V709-F733 HydrophobicContact CB-CE2 4.41Å; V709-F733 HydrophobicContact CB-CG 3.73Å; V709-F733 HydrophobicContact CG1-CB 4.31Å; V709-F733 HydrophobicContact CG1-CD1 3.82Å; V709-F733 HydrophobicContact CG1-CD2 3.46Å; V709-F733 VanDerWaalsContact CG1-CD2 3.46Å; V709-F733 HydrophobicContact CG1-CE1 3.95Å; V709-F733 HydrophobicContact CG1-CE2 3.61Å; V709-F733 HydrophobicContact CG1-CG 3.59Å; V709-F733 HydrophobicContact CG1-CZ 3.87Å; V709-F733 HydrophobicContact CG2-CB 4.37Å; V709-F733 HydrophobicContact CG2-CG 4.45Å; V709-W739 HydrophobicContact CG2-CH2 4.11Å; V709-W739 HydrophobicContact CG2-CZ2 3.87Å
710R94Very high95.5Very high108 Ų10847.3 Ų47.341%0.40822%0.218SC..  trans-128.6131.8159.7170.5-173.6-79.1-136.3-170.5106.4P668 E729 N731P668-R710 WeakPolarHBondContact CD-O 3.45Å; R710-E729 WeakPolarHBondContact CD-OE1 3.41Å; R710-E729 VanDerWaalsContact CD-OE2 3.27Å; R710-E729 WeakPolarHBondContact CD-OE2 3.37Å; R710-E729 VanDerWaalsContact CG-CD 3.47Å; R710-E729 HydrophobicContact CG-CG 3.71Å; R710-E729 IonicContact CZ-OE1 3.06Å; R710-E729 IonicContact CZ-OE2 2.7Å; R710-E729 IonicContact NE-OE1 2.78Å; R710-E729 PolarHBondContact NE-OE1 3.38Å; R710-E729 VanDerWaalsContact NE-OE1 3.09Å; R710-E729 IonicContact NE-OE2 3.53Å; R710-E729 IonicContact NH1-OE1 3.34Å; R710-E729 IonicContact NH2-OE1 2.77Å; R710-E729 PolarHBondContact NH2-OE1 3.27Å; R710-E729 IonicContact NH2-OE2 4Å; R710-E729 PolarHBondContact NH2-OE2 3.08Å; R710-N731 WeakPolarHBondContact CG-OD1 3.04Å; R710-N731 PolarHBondContact NE-OD1 3Å
711M97.3Very high95.2Very high6 Ų655.8 Ų55.83%0.0326%0.258CS..EExtended strand (participates in β ladder)trans-125117.5174.5-172.4175.376.500109.8L630 A665 V667 V673 E729 V730 F733L630-M711 HydrophobicContact CD1-CE 3.65Å; L630-M711 HydrophobicContact CD2-CE 4.41Å; A665-M711 HydrophobicContact CB-CG 4.1Å; A665-M711 HydrophobicContact CB-SD 3.87Å; V667-M711 HydrophobicContact CG1-CB 4.17Å; V667-M711 HydrophobicContact CG1-CG 3.89Å; V673-M711 HydrophobicContact CG2-SD 4.47Å; M711-E729 CarbonylContact O-C 3.58Å; M711-E729 WeakPolarHBondContact O-CA 3.47Å; M711-V730 PolarHBondContact N-O 3.05Å; M711-V730 PolarHBondContact O-N 3.09Å; M711-F733 HydrophobicContact CB-CE2 3.89Å; M711-F733 HydrophobicContact CB-CZ 3.55Å; M711-F733 HydrophobicContact CE-CZ 4.2Å; M711-F733 HydrophobicContact SD-CZ 4.31Å
712R97.4Very high95Very high139 Ų13961.8 Ų61.853%0.52529%0.286SS..EExtended strand (participates in β ladder)trans-82.8144.6166.5-71-179.8-179.9174.41.5109.2A665 A666 G728 E729A665-R712 CarbonylContact C-O 3.57Å; A665-R712 WeakPolarHBondContact CA-O 3.39Å; A666-R712 PolarHBondContact N-O 2.83Å; A666-R712 PolarHBondContact O-N 2.93Å; R712-G728 WeakPolarHBondContact CA-O 3.48Å; R712-E729 HydrophobicContact CG-CB 4.16Å; R712-E729 HydrophobicContact CG-CG 3.73Å; R712-E729 WeakPolarHBondContact CG-OE2 3.33Å; R712-E729 IonicContact CZ-OE2 2.68Å; R712-E729 IonicContact NE-OE2 3.1Å; R712-E729 PolarHBondContact NE-OE2 2.58Å; R712-E729 IonicContact NH2-OE2 2.59Å; R712-E729 PolarHBondContact NH2-OE2 3.19Å
713Y97.8Very high95Very high24 Ų2466.4 Ų66.49%0.09432%0.318CS..EExtended strand (participates in β ladder)trans-125.9155.5171.168.9-96.6000111.1A620 Y621 Q664 L715 V727 G728 V730A620-Y713 HydrophobicContact CB-CD1 4.35Å; A620-Y713 HydrophobicContact CB-CE1 4.14Å; A620-Y713 WeakPolarHBondContact O-CE1 3.29Å; A620-Y713 PolarHBondContact O-OH 3.31Å; Y621-Y713 HydrophobicContact CD2-CE2 4.38Å; Q664-Y713 CarbonylContact O-C 3.58Å; Q664-Y713 WeakPolarHBondContact O-CA 3.27Å; Q664-Y713 WeakPolarHBondContact O-CB 3.48Å; Y713-L715 HydrophobicContact CD2-CB 4.18Å; Y713-L715 HydrophobicContact CE2-CB 4.31Å; Y713-V727 WeakPolarHBondContact O-CA 3.23Å; Y713-G728 VanDerWaalsContact CE1-C 3.47Å; Y713-G728 PolarHBondContact N-O 3.12Å; Y713-G728 PolarHBondContact O-N 2.77Å; Y713-G728 VanDerWaalsContact O-N 3.11Å; Y713-V730 HydrophobicContact CD1-CG2 4.36Å; Y713-V730 HydrophobicContact CE1-CG2 4.4Å
714K97.6Very high94.9Very high74 Ų7468 Ų6832%0.32233%0.325SS..EExtended strand (participates in β ladder)trans-124.2120.1161.8-177.6-172.8-175.2-160.70107.3Q664 M716 T725 E726 V727Q664-K714 HydrophobicContact CB-CB 4.34Å; Q664-K714 PolarHBondContact N-O 3.03Å; Q664-K714 PolarHBondContact O-N 3.44Å; K714-M716 HydrophobicContact CD-CG 4.36Å; K714-M716 HydrophobicContact CD-SD 4.04Å; K714-M716 WeakPolarHBondContact CE-SD 3.43Å; K714-M716 HydrophobicContact CG-CG 4.22Å; K714-M716 PolarHBondContact NZ-SD 3.42Å; K714-T725 HydrophobicContact CD-CG2 4.5Å; K714-T725 HydrophobicContact CG-CG2 4.41Å; K714-E726 CarbonylContact C-O 3.56Å; K714-E726 WeakPolarHBondContact CA-O 3.44Å; K714-V727 HydrophobicContact CB-CG2 4.26Å; K714-V727 HydrophobicContact CG-CG2 3.99Å
715L97.8Very high95.1Very high2 Ų269.7 Ų69.71%0.0133%0.334CS..EExtended strand (participates in β ladder)trans-108130.5176-178.766.6000108.2Y621 V628 I661 L663 Y713 F717 T725 E726Y621-L715 HydrophobicContact CD1-CD2 3.62Å; Y621-L715 HydrophobicContact CD2-CD2 4.38Å; Y621-L715 HydrophobicContact CE1-CD2 3.94Å; Y621-L715 HydrophobicContact CG-CD2 3.85Å; V628-L715 HydrophobicContact CG2-CD1 4.4Å; V628-L715 HydrophobicContact CG2-CD2 3.83Å; I661-L715 HydrophobicContact CG2-CD1 4.42Å; L663-L715 HydrophobicContact CB-CD1 4.37Å; L663-L715 HydrophobicContact CD1-CB 4.49Å; L663-L715 HydrophobicContact CD1-CD1 4.27Å; Y713-L715 HydrophobicContact CD2-CB 4.18Å; Y713-L715 HydrophobicContact CE2-CB 4.31Å; L715-F717 HydrophobicContact CD2-CD1 4.13Å; L715-F717 HydrophobicContact CD2-CE1 4.02Å; L715-F717 HydrophobicContact CG-CD1 3.99Å; L715-F717 HydrophobicContact CG-CE1 4.29Å; L715-T725 WeakPolarHBondContact O-CA 3.41Å; L715-E726 PolarHBondContact N-O 3.46Å; L715-E726 PolarHBondContact O-N 2.98Å
716M97.5Very high95.4Very high42 Ų4266.3 Ų66.321%0.20732%0.316CS..EExtended strand (participates in β ladder)trans-127.9136.3176.9-57.9175.6-64.400108.3I661 V662 K714 F724 T725I661-M716 WeakPolarHBondContact CA-O 3.44Å; V662-M716 HydrophobicContact CB-CB 4.47Å; V662-M716 HydrophobicContact CB-CE 3.88Å; V662-M716 HydrophobicContact CG1-CE 3.6Å; V662-M716 PolarHBondContact N-O 2.89Å; V662-M716 PolarHBondContact O-N 2.97Å; K714-M716 HydrophobicContact CD-CG 4.36Å; K714-M716 HydrophobicContact CD-SD 4.04Å; K714-M716 WeakPolarHBondContact CE-SD 3.43Å; K714-M716 HydrophobicContact CG-CG 4.22Å; K714-M716 PolarHBondContact NZ-SD 3.42Å; M716-F724 WeakPolarHBondContact CA-O 3.27Å; M716-T725 HydrophobicContact CG-CG2 4.24Å
717F97.2Very high95.6Very high5 Ų565.7 Ų65.72%0.02232%0.321CS..EExtended strand (participates in β ladder)trans-161166.1178.760.3-87.8000111Y621 V626 V658 R659 I661 L715 L719 S723 F724Y621-F717 HydrophobicContact CE1-CE1 4.18Å; Y621-F717 HydrophobicContact CE1-CZ 4.34Å; V626-F717 HydrophobicContact CB-CE2 4.46Å; V626-F717 HydrophobicContact CB-CZ 4.26Å; V626-F717 HydrophobicContact CG1-CE1 4.5Å; V626-F717 HydrophobicContact CG1-CZ 4.44Å; V626-F717 HydrophobicContact CG2-CD2 4.49Å; V626-F717 HydrophobicContact CG2-CE2 3.94Å; V626-F717 HydrophobicContact CG2-CZ 4.23Å; V658-F717 HydrophobicContact CG1-CB 3.78Å; V658-F717 HydrophobicContact CG1-CD2 3.74Å; V658-F717 HydrophobicContact CG1-CG 4.02Å; R659-F717 CarbonylContact O-C 3.56Å; R659-F717 WeakPolarHBondContact O-CA 3.39Å; I661-F717 HydrophobicContact CG1-CB 4.06Å; L715-F717 HydrophobicContact CD2-CD1 4.13Å; L715-F717 HydrophobicContact CD2-CE1 4.02Å; L715-F717 HydrophobicContact CG-CD1 3.99Å; L715-F717 HydrophobicContact CG-CE1 4.29Å; F717-L719 HydrophobicContact CD2-CB 4.14Å; F717-L719 HydrophobicContact CE2-CB 3.98Å; F717-S723 WeakPolarHBondContact O-CA 3.27Å; F717-F724 HydrophobicContact CD1-CB 4.19Å; F717-F724 HydrophobicContact CD2-CB 4.16Å; F717-F724 HydrophobicContact CD2-CD2 4.07Å; F717-F724 HydrophobicContact CD2-CG 4.45Å; F717-F724 HydrophobicContact CE1-CB 3.83Å; F717-F724 HydrophobicContact CE2-CB 3.79Å; F717-F724 AromaticContact CE2-CD2 3.57Å; F717-F724 HydrophobicContact CE2-CD2 3.57Å; F717-F724 HydrophobicContact CE2-CE2 4.41Å; F717-F724 AromaticContact CE2-CG 3.79Å; F717-F724 HydrophobicContact CE2-CG 3.79Å; F717-F724 HydrophobicContact CG-CB 4.37Å; F717-F724 HydrophobicContact CZ-CB 3.62Å; F717-F724 HydrophobicContact CZ-CD2 4.13Å; F717-F724 AromaticContact CZ-CG 3.87Å; F717-F724 HydrophobicContact CZ-CG 3.87Å; F717-F724 PolarHBondContact N-O 3.29Å; F717-F724 PolarHBondContact O-N 3.42Å
718T96.9Very high95.8Very high26 Ų2662.8 Ų62.816%0.1631%0.313CS..EExtended strand (participates in β ladder)trans-111.2125.6166.4-44.90000108.2V658 R659 N660 G720 Q722V658-T718 CarbonylContact C-O 3.42Å; V658-T718 VanDerWaalsContact CA-O 3.28Å; V658-T718 WeakPolarHBondContact CA-O 3.34Å; R659-T718 PolarHBondContact N-O 3.2Å; R659-T718 PolarHBondContact O-N 2.89Å; N660-T718 PolarHBondContact ND2-OG1 3.46Å; T718-G720 WeakPolarHBondContact CG2-O 3.42Å; T718-Q722 CarbonylContact C-O 3.57Å; T718-Q722 WeakPolarHBondContact CA-O 3.4Å
719L95.4Very high95.9Very high17 Ų1757.6 Ų57.69%0.08929%0.291CS..EExtended strand (participates in β ladder)trans-108.6116.5171.8174.571.1000107.6N624 V626 A654 Q656 V658 F717 E721 Q722 F724N624-L719 HydrophobicContact CB-CD2 4.09Å; V626-L719 HydrophobicContact CG2-CD1 4.5Å; A654-L719 HydrophobicContact CB-CD1 3.88Å; Q656-L719 HydrophobicContact CB-CD1 3.87Å; Q656-L719 HydrophobicContact CB-CG 4.33Å; V658-L719 HydrophobicContact CG2-CD1 3.85Å; F717-L719 HydrophobicContact CD2-CB 4.14Å; F717-L719 HydrophobicContact CE2-CB 3.98Å; L719-E721 PolarHBondContact O-N 3.01Å; L719-E721 VanDerWaalsContact O-N 3.14Å; L719-Q722 PolarHBondContact N-O 3.25Å; L719-Q722 PolarHBondContact O-N 3.37Å; L719-F724 HydrophobicContact CB-CD2 4.16Å; L719-F724 HydrophobicContact CB-CE2 3.89Å; L719-F724 HydrophobicContact CD2-CE2 4.43Å
720G92.2Very high95.9Very high12 Ų1257.6 Ų57.612%0.12429%0.291CS..THydrogen-bonded Turntrans57.9-116-163.800000110.2P657 T718P657-G720 PolarHBondContact O-N 3.37Å; T718-G720 WeakPolarHBondContact CG2-O 3.42Å
721E91.2Very high95.9Very high179 Ų17954.8 Ų54.884%0.83628%0.284SS*.THydrogen-bonded Turntrans-99.1-9.9175.5-58.1-54.4130.300113.6L719L719-E721 PolarHBondContact O-N 3.01Å; L719-E721 VanDerWaalsContact O-N 3.14Å
722Q94.2Very high95.7Very high126 Ų12660 Ų6059%0.58931%0.312SS*.EExtended strand (participates in β ladder)trans-92.9124-172-172.317216.800111.8T718 L719 F724T718-Q722 CarbonylContact C-O 3.57Å; T718-Q722 WeakPolarHBondContact CA-O 3.4Å; L719-Q722 PolarHBondContact N-O 3.25Å; L719-Q722 PolarHBondContact O-N 3.37Å; Q722-F724 HydrophobicContact CB-CE2 3.81Å; Q722-F724 HydrophobicContact CB-CZ 4.28Å; Q722-F724 HydrophobicContact CG-CD2 4.43Å; Q722-F724 HydrophobicContact CG-CE2 3.69Å; Q722-F724 HydrophobicContact CG-CZ 3.81Å; Q722-F724 VanDerWaalsContact O-CD2 3.26Å; Q722-F724 WeakPolarHBondContact O-CD2 3.35Å; Q722-F724 WeakPolarHBondContact O-CE2 3.32Å
723S95.6Very high95.6Very high96 Ų9654.9 Ų54.967%0.67129%0.294SS*.EExtended strand (participates in β ladder)trans-82.4131.9175.159.50000112.3F717F717-S723 WeakPolarHBondContact O-CA 3.27Å
724F96.2Very high95.4Very high36 Ų3654.1 Ų54.116%0.15829%0.292CS..EExtended strand (participates in β ladder)trans-114.8148.2176.1-67.5-91.5000110.9N624 M716 F717 L719 Q722N624-F724 VanDerWaalsContact ND2-CE1 3.29Å; N624-F724 WeakPolarHBondContact ND2-CE1 3.13Å; M716-F724 WeakPolarHBondContact CA-O 3.27Å; F717-F724 HydrophobicContact CD1-CB 4.19Å; F717-F724 HydrophobicContact CD2-CB 4.16Å; F717-F724 HydrophobicContact CD2-CD2 4.07Å; F717-F724 HydrophobicContact CD2-CG 4.45Å; F717-F724 HydrophobicContact CE1-CB 3.83Å; F717-F724 HydrophobicContact CE2-CB 3.79Å; F717-F724 AromaticContact CE2-CD2 3.57Å; F717-F724 HydrophobicContact CE2-CD2 3.57Å; F717-F724 HydrophobicContact CE2-CE2 4.41Å; F717-F724 AromaticContact CE2-CG 3.79Å; F717-F724 HydrophobicContact CE2-CG 3.79Å; F717-F724 HydrophobicContact CG-CB 4.37Å; F717-F724 HydrophobicContact CZ-CB 3.62Å; F717-F724 HydrophobicContact CZ-CD2 4.13Å; F717-F724 AromaticContact CZ-CG 3.87Å; F717-F724 HydrophobicContact CZ-CG 3.87Å; F717-F724 PolarHBondContact N-O 3.29Å; F717-F724 PolarHBondContact O-N 3.42Å; L719-F724 HydrophobicContact CB-CD2 4.16Å; L719-F724 HydrophobicContact CB-CE2 3.89Å; L719-F724 HydrophobicContact CD2-CE2 4.43Å; Q722-F724 HydrophobicContact CB-CE2 3.81Å; Q722-F724 HydrophobicContact CB-CZ 4.28Å; Q722-F724 HydrophobicContact CG-CD2 4.43Å; Q722-F724 HydrophobicContact CG-CE2 3.69Å; Q722-F724 HydrophobicContact CG-CZ 3.81Å; Q722-F724 VanDerWaalsContact O-CD2 3.26Å; Q722-F724 WeakPolarHBondContact O-CD2 3.35Å; Q722-F724 WeakPolarHBondContact O-CE2 3.32Å
725T97.1Very high95.2Very high89 Ų8954.6 Ų54.655%0.54630%0.303SS..EExtended strand (participates in β ladder)trans-141.9111171.4-74.60000108.2K714 L715 M716K714-T725 HydrophobicContact CD-CG2 4.5Å; K714-T725 HydrophobicContact CG-CG2 4.41Å; L715-T725 WeakPolarHBondContact O-CA 3.41Å; M716-T725 HydrophobicContact CG-CG2 4.24Å
726E96.9Very high94.9Very high36 Ų3655.1 Ų55.117%0.16831%0.308CS..EExtended strand (participates in β ladder)trans-120131.8-169.6-77-83.9-171.100109.1Y621 K623 K714 L715Y621-E726 HydrophobicContact CD2-CB 4.24Å; Y621-E726 HydrophobicContact CE2-CB 3.64Å; Y621-E726 HydrophobicContact CE2-CG 3.52Å; K623-E726 WeakPolarHBondContact CD-OE1 3.06Å; K623-E726 IonicContact NZ-OE1 2.69Å; K623-E726 PolarHBondContact NZ-OE1 2.97Å; K623-E726 IonicContact NZ-OE2 2.63Å; K623-E726 PolarHBondContact NZ-OE2 3.49Å; K714-E726 CarbonylContact C-O 3.56Å; K714-E726 WeakPolarHBondContact CA-O 3.44Å; L715-E726 PolarHBondContact N-O 3.46Å; L715-E726 PolarHBondContact O-N 2.98Å
727V96.6Very high94.5Very high104 Ų10458.9 Ų58.963%0.6333%0.329SS*.EExtended strand (participates in β ladder)trans-122127.8179.5177.20000107.8Y713 K714Y713-V727 WeakPolarHBondContact O-CA 3.23Å; K714-V727 HydrophobicContact CB-CG2 4.26Å; K714-V727 HydrophobicContact CG-CG2 3.99Å
728G94.9Very high94.2Very high19 Ų1964.2 Ų64.220%0.19635%0.348CS..EExtended strand (participates in β ladder)trans-148-175.2-17900000112.2R712 Y713R712-G728 WeakPolarHBondContact CA-O 3.48Å; Y713-G728 VanDerWaalsContact CE1-C 3.47Å; Y713-G728 PolarHBondContact N-O 3.12Å; Y713-G728 PolarHBondContact O-N 2.77Å; Y713-G728 VanDerWaalsContact O-N 3.11Å
729E95.2Very high94Very high63 Ų6363.9 Ų63.929%0.29434%0.344SS..EExtended strand (participates in β ladder)trans-149.3130.5-173.7-165.9-177.594.800111.3R710 M711 R712 N731R710-E729 WeakPolarHBondContact CD-OE1 3.41Å; R710-E729 VanDerWaalsContact CD-OE2 3.27Å; R710-E729 WeakPolarHBondContact CD-OE2 3.37Å; R710-E729 VanDerWaalsContact CG-CD 3.47Å; R710-E729 HydrophobicContact CG-CG 3.71Å; R710-E729 IonicContact CZ-OE1 3.06Å; R710-E729 IonicContact CZ-OE2 2.7Å; R710-E729 IonicContact NE-OE1 2.78Å; R710-E729 PolarHBondContact NE-OE1 3.38Å; R710-E729 VanDerWaalsContact NE-OE1 3.09Å; R710-E729 IonicContact NE-OE2 3.53Å; R710-E729 IonicContact NH1-OE1 3.34Å; R710-E729 IonicContact NH2-OE1 2.77Å; R710-E729 PolarHBondContact NH2-OE1 3.27Å; R710-E729 IonicContact NH2-OE2 4Å; R710-E729 PolarHBondContact NH2-OE2 3.08Å; M711-E729 CarbonylContact O-C 3.58Å; M711-E729 WeakPolarHBondContact O-CA 3.47Å; R712-E729 HydrophobicContact CG-CB 4.16Å; R712-E729 HydrophobicContact CG-CG 3.73Å; R712-E729 WeakPolarHBondContact CG-OE2 3.33Å; R712-E729 IonicContact CZ-OE2 2.68Å; R712-E729 IonicContact NE-OE2 3.1Å; R712-E729 PolarHBondContact NE-OE2 2.58Å; R712-E729 IonicContact NH2-OE2 2.59Å; R712-E729 PolarHBondContact NH2-OE2 3.19Å; E729-N731 PolarHBondContact OE1-ND2 3.19Å
730V96.1Very high93.5Very high7 Ų764.8 Ų64.84%0.04236%0.357CS..EExtended strand (participates in β ladder)trans-103.9135.4173.2-175.10000108.3V618 A620 L630 M711 Y713 F733V618-V730 HydrophobicContact CG1-CG1 3.65Å; A620-V730 HydrophobicContact CB-CG2 3.76Å; L630-V730 HydrophobicContact CD1-CG1 4.32Å; L630-V730 HydrophobicContact CD1-CG2 4.14Å; M711-V730 PolarHBondContact N-O 3.05Å; M711-V730 PolarHBondContact O-N 3.09Å; Y713-V730 HydrophobicContact CD1-CG2 4.36Å; Y713-V730 HydrophobicContact CE1-CG2 4.4Å; V730-F733 HydrophobicContact CB-CE2 3.91Å; V730-F733 HydrophobicContact CB-CZ 4.28Å; V730-F733 HydrophobicContact CG1-CD2 4.31Å; V730-F733 HydrophobicContact CG1-CE2 3.66Å; V730-F733 HydrophobicContact CG1-CZ 4.11Å
731N93.6Very high93.3Very high48 Ų4867.3 Ų67.326%0.25738%0.377SS..  trans-124.7-4.8175.8-72.4-91.4000112.6R710 E729 F733R710-N731 WeakPolarHBondContact CG-OD1 3.04Å; R710-N731 PolarHBondContact NE-OD1 3Å; E729-N731 PolarHBondContact OE1-ND2 3.19Å; N731-F733 PolarHBondContact O-N 3.47Å
732D92Very high93.1Very high116 Ų11659 Ų5962%0.6234%0.339SS*.  trans-95.488.4-177.4-57.9-74.5000110.1V618V618-D732 HydrophobicContact CG1-CB 4.24Å; V618-D732 HydrophobicContact CG2-CB 4.32Å
733F96Very high93Very high31 Ų3155.7 Ų55.714%0.13633%0.326CS..  trans-120.9150.4178.8-74.8-94.6000110.6F632 L644 M646 L701 V709 M711 V730 N731F632-F733 AromaticContact CE1-CD1 3.92Å; F632-F733 HydrophobicContact CE1-CD1 3.92Å; F632-F733 HydrophobicContact CE1-CE1 4.34Å; F632-F733 HydrophobicContact CZ-CD1 4.48Å; L644-F733 HydrophobicContact CD2-CD1 4.06Å; M646-F733 HydrophobicContact CE-CE1 4.23Å; M646-F733 HydrophobicContact SD-CD1 4.25Å; M646-F733 HydrophobicContact SD-CE1 3.67Å; L701-F733 HydrophobicContact CD2-CD1 4.29Å; L701-F733 HydrophobicContact CD2-CE1 4.19Å; V709-F733 HydrophobicContact CB-CB 3.9Å; V709-F733 HydrophobicContact CB-CD1 4.31Å; V709-F733 HydrophobicContact CB-CD2 3.78Å; V709-F733 HydrophobicContact CB-CE2 4.41Å; V709-F733 HydrophobicContact CB-CG 3.73Å; V709-F733 HydrophobicContact CG1-CB 4.31Å; V709-F733 HydrophobicContact CG1-CD1 3.82Å; V709-F733 HydrophobicContact CG1-CD2 3.46Å; V709-F733 VanDerWaalsContact CG1-CD2 3.46Å; V709-F733 HydrophobicContact CG1-CE1 3.95Å; V709-F733 HydrophobicContact CG1-CE2 3.61Å; V709-F733 HydrophobicContact CG1-CG 3.59Å; V709-F733 HydrophobicContact CG1-CZ 3.87Å; V709-F733 HydrophobicContact CG2-CB 4.37Å; V709-F733 HydrophobicContact CG2-CG 4.45Å; M711-F733 HydrophobicContact CB-CE2 3.89Å; M711-F733 HydrophobicContact CB-CZ 3.55Å; M711-F733 HydrophobicContact CE-CZ 4.2Å; M711-F733 HydrophobicContact SD-CZ 4.31Å; V730-F733 HydrophobicContact CB-CE2 3.91Å; V730-F733 HydrophobicContact CB-CZ 4.28Å; V730-F733 HydrophobicContact CG1-CD2 4.31Å; V730-F733 HydrophobicContact CG1-CE2 3.66Å; V730-F733 HydrophobicContact CG1-CZ 4.11Å; N731-F733 PolarHBondContact O-N 3.47Å
734P94.1Very high92.9Very high9 Ų953.6 Ų53.66%0.05831%0.308CS..  trans-59.4141.617223.4-32.4000111.2L615 F632 L644 A736 W739 L742L615-P734 HydrophobicContact CD1-CB 3.79Å; L615-P734 HydrophobicContact CD1-CG 4.31Å; F632-P734 HydrophobicContact CD1-CG 3.86Å; F632-P734 VanDerWaalsContact CE1-CD 3.4Å; F632-P734 HydrophobicContact CE1-CG 4.15Å; F632-P734 HydrophobicContact CG-CG 4.11Å; L644-P734 HydrophobicContact CD1-CG 4.09Å; L644-P734 HydrophobicContact CD2-CG 4Å; P734-A736 PolarHBondContact O-N 2.97Å; P734-W739 PolarHBondContact O-NE1 3.25Å; P734-L742 HydrophobicContact CB-CD1 3.9Å; P734-L742 HydrophobicContact CB-CD2 3.68Å; P734-L742 HydrophobicContact CB-CG 4.47Å; P734-L742 HydrophobicContact CG-CD1 3.69Å; P734-L742 HydrophobicContact CG-CD2 4.4Å
735P92.3Very high92.7Very high83 Ų8354.6 Ų54.654%0.53932%0.316SS..  trans-54.6136.2176.4-26.234.8000112.4D737 R738 W739P735-D737 PolarHBondContact O-N 3.05Å; P735-D737 VanDerWaalsContact O-N 3.12Å; P735-R738 PolarHBondContact O-N 2.59Å; P735-W739 PolarHBondContact O-NE1 3.19Å
736A91.1Very high92.5Very high14 Ų1452.5 Ų52.512%0.11630%0.303CS..G310 helixtrans-62.5-21.1-174.700000114.1K706 P734 R738 W739K706-A736 HydrophobicContact CB-CB 3.77Å; K706-A736 HydrophobicContact CG-CB 3.92Å; P734-A736 PolarHBondContact O-N 2.97Å; A736-R738 VanDerWaalsContact C-N 3.26Å; A736-R738 PolarHBondContact O-N 3.04Å; A736-W739 HydrophobicContact CB-CD2 4.47Å; A736-W739 HydrophobicContact CB-CZ2 4.44Å
737D90.1Very high92.2Very high121 Ų12153.6 Ų53.665%0.64731%0.311SS*.G310 helixtrans-74.3-11.6173.1-63.7-67.8000114.5K706 P735K706-D737 WeakPolarHBondContact CD-OD1 3.24Å; K706-D737 WeakPolarHBondContact CE-OD1 3.48Å; K706-D737 IonicContact NZ-OD1 2.7Å; K706-D737 PolarHBondContact NZ-OD1 3.49Å; P735-D737 PolarHBondContact O-N 3.05Å; P735-D737 VanDerWaalsContact O-N 3.12Å
738R90.8Very high91.9Very high116 Ų11650.2 Ų50.244%0.43829%0.29SS..G310 helixtrans-104.3-1.4178.4-72.3-164.858-161.4-13.4114.3P735 A736 G740 A741 L742P735-R738 PolarHBondContact O-N 2.59Å; A736-R738 VanDerWaalsContact C-N 3.26Å; A736-R738 PolarHBondContact O-N 3.04Å; R738-G740 PolarHBondContact O-N 2.69Å; R738-A741 PolarHBondContact NH2-O 3.13Å; R738-A741 CarbonylContact O-C 3.35Å; R738-A741 WeakPolarHBondContact O-CA 3.4Å; R738-A741 PolarHBondContact O-N 2.75Å; R738-L742 HydrophobicContact CB-CD2 3.6Å; R738-L742 WeakPolarHBondContact O-CD2 3.1Å; R738-L742 WeakPolarHBondContact O-CG 3.36Å
739W92.1Very high91.7Very high20 Ų2052.4 Ų52.48%0.07630%0.297CS..THydrogen-bonded Turntrans-64.6129.5-177.6-654.4000110D642 L644 L701 N703 V709 P734 P735 A736D642-W739 WeakPolarHBondContact O-CZ3 3.32Å; L644-W739 HydrophobicContact CB-CD2 3.72Å; L644-W739 HydrophobicContact CB-CE3 3.64Å; L644-W739 HydrophobicContact CB-CG 4.43Å; L644-W739 HydrophobicContact CB-CH2 3.71Å; L644-W739 HydrophobicContact CB-CZ2 3.83Å; L644-W739 HydrophobicContact CB-CZ3 3.61Å; L644-W739 HydrophobicContact CD1-CD2 4.34Å; L644-W739 HydrophobicContact CD1-CG 4.26Å; L644-W739 HydrophobicContact CD2-CH2 4.36Å; L644-W739 HydrophobicContact CD2-CZ2 3.81Å; L644-W739 HydrophobicContact CG-CD2 4.45Å; L644-W739 HydrophobicContact CG-CZ2 4.38Å; L701-W739 HydrophobicContact CD2-CH2 3.85Å; L701-W739 HydrophobicContact CD2-CZ2 4.31Å; L701-W739 HydrophobicContact CG-CH2 4.09Å; N703-W739 HydrophobicContact CB-CH2 3.41Å; N703-W739 VanDerWaalsContact CB-CH2 3.41Å; N703-W739 HydrophobicContact CB-CZ2 4.46Å; N703-W739 HydrophobicContact CB-CZ3 3.5Å; N703-W739 VanDerWaalsContact CB-CZ3 3.5Å; V709-W739 HydrophobicContact CG2-CH2 4.11Å; V709-W739 HydrophobicContact CG2-CZ2 3.87Å; P734-W739 PolarHBondContact O-NE1 3.25Å; P735-W739 PolarHBondContact O-NE1 3.19Å; A736-W739 HydrophobicContact CB-CD2 4.47Å; A736-W739 HydrophobicContact CB-CZ2 4.44Å
740G85.3Confident91.4Very high35 Ų3551.6 Ų51.636%0.36130%0.297SS..THydrogen-bonded Turntrans87.87.2-167.800000114.8S634 C636 R738S634-G740 CarbonylContact O-C 3.12Å; S634-G740 WeakPolarHBondContact O-CA 3.39Å; S634-G740 PolarHBondContact O-N 2.92Å; C636-G740 PolarHBondContact SG-N 3.45Å; R738-G740 PolarHBondContact O-N 2.69Å
741A88.1Confident91Very high65 Ų6555.3 Ų55.354%0.53732%0.318SS..  trans-153.157.4173.400000111.2S634 R738S634-A741 PolarHBondContact O-N 3.24Å; R738-A741 PolarHBondContact NH2-O 3.13Å; R738-A741 CarbonylContact O-C 3.35Å; R738-A741 WeakPolarHBondContact O-CA 3.4Å; R738-A741 PolarHBondContact O-N 2.75Å
742L86.4Confident90.8Very high6 Ų656 Ų563%0.03132%0.324CS..  trans-107.40-175.4-56.6-179.8000113.2S613 T614 L615 F632 A633 S634 L644 P734 R738S613-L742 WeakPolarHBondContact CA-O 3.27Å; S613-L742 VanDerWaalsContact CB-C 3.45Å; S613-L742 WeakPolarHBondContact CB-O 3.37Å; T614-L742 PolarHBondContact N-O 3.08Å; T614-L742 PolarHBondContact N-OXT 3.16Å; T614-L742 VanDerWaalsContact N-OXT 3.1Å; T614-L742 PolarHBondContact OG1-OXT 2.86Å; L615-L742 HydrophobicContact CD1-CB 4.11Å; L615-L742 HydrophobicContact CD1-CD1 4.44Å; L615-L742 HydrophobicContact CD1-CD2 4.14Å; L615-L742 HydrophobicContact CD1-CG 4.48Å; L615-L742 HydrophobicContact CG-CB 4.46Å; F632-L742 HydrophobicContact CB-CD1 4.34Å; A633-L742 WeakPolarHBondContact O-CD1 3.25Å; S634-L742 WeakPolarHBondContact CA-O 3.49Å; S634-L742 VanDerWaalsContact CB-O 3.3Å; S634-L742 WeakPolarHBondContact CB-O 3.49Å; S634-L742 PolarHBondContact OG-O 2.99Å; L644-L742 HydrophobicContact CD1-CD1 3.61Å; P734-L742 HydrophobicContact CB-CD1 3.9Å; P734-L742 HydrophobicContact CB-CD2 3.68Å; P734-L742 HydrophobicContact CB-CG 4.47Å; P734-L742 HydrophobicContact CG-CD1 3.69Å; P734-L742 HydrophobicContact CG-CD2 4.4Å; R738-L742 HydrophobicContact CB-CD2 3.6Å; R738-L742 WeakPolarHBondContact O-CD2 3.1Å; R738-L742 WeakPolarHBondContact O-CG 3.36Å

Retrieved 742 of 742 residues in 544.7 ms (Link to these results)

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