A0A087Y6S7_POEFO Loading...

Heterogeneous nuclear ribonucleoprotein M

AlphaFold DB , UniProt , Accession A0A087Y6S7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 580 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
1M58.8Low66.5Low188 Ų188108.1 Ų108.193%0.92655%0.545SS*.  0-62.10-71.8158-173.400110.6K3 A4 V5 E22M1-K3 PolarHBondContact O-N 2.92Å; M1-A4 WeakPolarHBondContact O-CA 3.42Å; M1-A4 WeakPolarHBondContact O-CB 3.26Å; M1-A4 PolarHBondContact O-N 3.38Å; M1-V5 PolarHBondContact O-N 2.92Å; M1-E22 VanDerWaalsContact C-OE2 3.3Å; M1-E22 HydrophobicContact CB-CG 4.29Å; M1-E22 WeakPolarHBondContact CB-OE2 3.2Å
2K63Low66.2Low156 Ų156107.3 Ų107.368%0.67854%0.543SS*.Hα-helixtrans-21-60177.5-57.7-172.4-179.9-179.30117.9A4 V5 E6 E22K2-A4 VanDerWaalsContact C-N 3.29Å; K2-A4 PolarHBondContact O-N 3.13Å; K2-V5 WeakPolarHBondContact O-CB 3.26Å; K2-V5 PolarHBondContact O-N 3.11Å; K2-V5 VanDerWaalsContact O-N 3.12Å; K2-E6 PolarHBondContact O-N 3.42Å; K2-E22 WeakPolarHBondContact CA-OE2 3.04Å; K2-E22 WeakPolarHBondContact CE-OE1 3.46Å; K2-E22 VanDerWaalsContact CG-OE1 3.27Å; K2-E22 WeakPolarHBondContact CG-OE1 3.42Å; K2-E22 WeakPolarHBondContact CG-OE2 3.32Å; K2-E22 PolarHBondContact N-OE2 2.83Å
3K66.7Low65.5Low185 Ų185107.6 Ų107.680%0.80455%0.546SS*.Hα-helixtrans-55-39.1178-73.5-170.5175.2-175.60113.7M1 E6 S7M1-K3 PolarHBondContact O-N 2.92Å; K3-E6 PolarHBondContact O-N 3.16Å; K3-S7 PolarHBondContact O-N 2.84Å; K3-S7 PolarHBondContact O-OG 3.32Å
4A65.1Low64.6Low62 Ų62111.9 Ų111.951%0.51257%0.571SS.*Hα-helixtrans-71-39.6177.300000112.2M1 K2 E6 S7 V8M1-A4 WeakPolarHBondContact O-CA 3.42Å; M1-A4 WeakPolarHBondContact O-CB 3.26Å; M1-A4 PolarHBondContact O-N 3.38Å; K2-A4 VanDerWaalsContact C-N 3.29Å; K2-A4 PolarHBondContact O-N 3.13Å; A4-E6 VanDerWaalsContact C-N 3.29Å; A4-E6 PolarHBondContact O-N 3.46Å; A4-S7 PolarHBondContact O-N 2.85Å; A4-V8 WeakPolarHBondContact O-CG2 3.08Å; A4-V8 PolarHBondContact O-N 3.41Å
5V67.6Low64.6Low29 Ų29108.5 Ų108.518%0.17657%0.574CS.*Hα-helixtrans-59.8-43.2173.9179.10000110.2M1 K2 V8 N9 V20 E22M1-V5 PolarHBondContact O-N 2.92Å; K2-V5 WeakPolarHBondContact O-CB 3.26Å; K2-V5 PolarHBondContact O-N 3.11Å; K2-V5 VanDerWaalsContact O-N 3.12Å; V5-V8 PolarHBondContact O-N 2.82Å; V5-N9 WeakPolarHBondContact O-CB 3.39Å; V5-N9 PolarHBondContact O-N 2.7Å; V5-N9 PolarHBondContact O-ND2 2.74Å; V5-V20 HydrophobicContact CG1-CB 4.23Å; V5-V20 HydrophobicContact CG1-CG1 4.17Å; V5-V20 WeakPolarHBondContact CG1-O 3.36Å; V5-V20 HydrophobicContact CG2-CG1 4.45Å; V5-E22 HydrophobicContact CG2-CB 4.44Å
6E67.3Low63.7Low112 Ų112114.4 Ų114.452%0.52359%0.587SS.*Hα-helixtrans-68.3-33.9177.5-153-159.1119.700113.2K2 K3 A4 K10K2-E6 PolarHBondContact O-N 3.42Å; K3-E6 PolarHBondContact O-N 3.16Å; A4-E6 VanDerWaalsContact C-N 3.29Å; A4-E6 PolarHBondContact O-N 3.46Å; E6-K10 WeakPolarHBondContact O-CD 3.44Å; E6-K10 VanDerWaalsContact O-CE 3.29Å; E6-K10 WeakPolarHBondContact O-CE 3.41Å; E6-K10 WeakPolarHBondContact O-CG 3.16Å; E6-K10 IonicContact OE1-NZ 3.2Å; E6-K10 PolarHBondContact OE1-NZ 3.34Å
7S71.8Confident63.7Low68 Ų68113.9 Ų113.948%0.47659%0.592SS.*Hα-helixtrans-68.9-43.5171.9-69.70000112.7K3 A4 K10 H11K3-S7 PolarHBondContact O-N 2.84Å; K3-S7 PolarHBondContact O-OG 3.32Å; A4-S7 PolarHBondContact O-N 2.85Å; S7-K10 PolarHBondContact O-N 2.66Å; S7-H11 PolarHBondContact O-CE1 3.16Å; S7-H11 PolarHBondContact O-ND1 3.27Å
8V69.9Low63.5Low64 Ų64110.7 Ų110.739%0.38858%0.576SS.*Hα-helixtrans-70.1-36-178.7176.30000111.5A4 V5 K10 H11 L18 V20A4-V8 WeakPolarHBondContact O-CG2 3.08Å; A4-V8 PolarHBondContact O-N 3.41Å; V5-V8 PolarHBondContact O-N 2.82Å; V8-K10 PolarHBondContact O-N 3.37Å; V8-K10 VanDerWaalsContact O-N 3.09Å; V8-H11 PolarHBondContact O-N 2.88Å; V8-L18 HydrophobicContact CG1-CD1 3.95Å; V8-V20 HydrophobicContact CB-CG2 4.42Å; V8-V20 HydrophobicContact CG1-CG2 3.7Å
9N66.9Low63.4Low58 Ų58114.6 Ų114.631%0.3159%0.588SS.*THydrogen-bonded Turntrans-67.5-6.8175.9-71.9-10.5000114.6V5 L18 V20V5-N9 WeakPolarHBondContact O-CB 3.39Å; V5-N9 PolarHBondContact O-N 2.7Å; V5-N9 PolarHBondContact O-ND2 2.74Å; N9-L18 PolarHBondContact OD1-O 2.88Å; N9-V20 PolarHBondContact ND2-O 3.02Å; N9-V20 WeakPolarHBondContact OD1-CA 3.48Å; N9-V20 WeakPolarHBondContact OD1-CB 3.23Å; N9-V20 PolarHBondContact OD1-N 2.96Å; N9-V20 PolarHBondContact OD1-O 2.76Å
10K70.2Confident63.6Low143 Ų143111.9 Ų111.962%0.62258%0.577SS**THydrogen-bonded Turntrans-93.2-0.8172.2-66.4166.4-168.9174.90112.7E6 S7 V8E6-K10 WeakPolarHBondContact O-CD 3.44Å; E6-K10 VanDerWaalsContact O-CE 3.29Å; E6-K10 WeakPolarHBondContact O-CE 3.41Å; E6-K10 WeakPolarHBondContact O-CG 3.16Å; E6-K10 IonicContact OE1-NZ 3.2Å; E6-K10 PolarHBondContact OE1-NZ 3.34Å; S7-K10 PolarHBondContact O-N 2.66Å; V8-K10 PolarHBondContact O-N 3.37Å; V8-K10 VanDerWaalsContact O-N 3.09Å
11H64.1Low63.6Low124 Ų124114.5 Ų114.557%0.57458%0.584SS**  trans-105.5137179.7-68.676.3000111.7S7 V8 L18S7-H11 PolarHBondContact O-CE1 3.16Å; S7-H11 PolarHBondContact O-ND1 3.27Å; V8-H11 PolarHBondContact O-N 2.88Å; H11-L18 WeakPolarHBondContact O-CG 3.35Å; H11-L18 PolarHBondContact O-N 3.39Å
12N63.3Low63.8Low99 Ų99109 Ų10953%0.52956%0.556SS.*EExtended strand (participates in β ladder)trans-97.8129.3175.8-127.823.5000108.4R16 P17N12-R16 PolarHBondContact OD1-O 3.47Å; N12-P17 WeakPolarHBondContact OD1-CA 3.36Å
13L56.7Low63.9Low111 Ų111104.3 Ų104.358%0.58154%0.538SS*.EExtended strand (participates in β ladder)trans-108.9125.8167.2-81178.8000109.2G15 R16 L18L13-G15 PolarHBondContact O-N 2.86Å; L13-G15 VanDerWaalsContact O-N 3.13Å; L13-R16 PolarHBondContact N-O 3.01Å; L13-R16 VanDerWaalsContact N-O 3.09Å; L13-R16 PolarHBondContact O-N 3.05Å; L13-L18 HydrophobicContact CB-CD2 4.28Å; L13-L18 HydrophobicContact CD1-CD1 3.98Å; L13-L18 HydrophobicContact CD1-CD2 4.19Å; L13-L18 HydrophobicContact CG-CD1 4.06Å; L13-L18 HydrophobicContact CG-CD2 4.47Å
14N53.1Low63.6Low168 Ų168100.4 Ų100.490%0.89853%0.532SS*.THydrogen-bonded Turntrans47.142.9179.4-59.7-12.2000113.5R16N14-R16 VanDerWaalsContact C-N 3.3Å; N14-R16 PolarHBondContact O-N 3.34Å
15G64.9Low63.5Low60 Ų60103.7 Ų103.762%0.61954%0.541SS*.THydrogen-bonded Turntrans77.90.3179.200000116L13L13-G15 PolarHBondContact O-N 2.86Å; L13-G15 VanDerWaalsContact O-N 3.13Å
16R50Low63.1Low204 Ų204103.5 Ų103.577%0.7754%0.544SS*.EExtended strand (participates in β ladder)trans-108.7133.9178.1-64.8-173.5177.2-165.4-1.1111.7N12 L13 N14N12-R16 PolarHBondContact OD1-O 3.47Å; L13-R16 PolarHBondContact N-O 3.01Å; L13-R16 VanDerWaalsContact N-O 3.09Å; L13-R16 PolarHBondContact O-N 3.05Å; N14-R16 VanDerWaalsContact C-N 3.3Å; N14-R16 PolarHBondContact O-N 3.34Å
17P62.8Low63Low105 Ų105101.5 Ų101.568%0.68254%0.54SS*.EExtended strand (participates in β ladder)trans-74.5129.8-178.328.4-34000111.3N12N12-P17 WeakPolarHBondContact OD1-CA 3.36Å
18L61.4Low62.5Low56 Ų56103 Ų10329%0.29354%0.542SS..  trans-73.2135.6175.4-62.9178.4000110.6V8 N9 H11 L13V8-L18 HydrophobicContact CG1-CD1 3.95Å; N9-L18 PolarHBondContact OD1-O 2.88Å; H11-L18 WeakPolarHBondContact O-CG 3.35Å; H11-L18 PolarHBondContact O-N 3.39Å; L13-L18 HydrophobicContact CB-CD2 4.28Å; L13-L18 HydrophobicContact CD1-CD1 3.98Å; L13-L18 HydrophobicContact CD1-CD2 4.19Å; L13-L18 HydrophobicContact CG-CD1 4.06Å; L13-L18 HydrophobicContact CG-CD2 4.47Å
19K61.4Low62.1Low185 Ų185102.6 Ų102.680%0.80455%0.545SS*.  trans-130.258.4-178.7-158.3168.9-171.7170.90111.4
20V67.2Low61.8Low61 Ų61106.6 Ų106.637%0.3756%0.562SS.*  trans-61.1140.7172-172.90000109.6V5 V8 N9V5-V20 HydrophobicContact CG1-CB 4.23Å; V5-V20 HydrophobicContact CG1-CG1 4.17Å; V5-V20 WeakPolarHBondContact CG1-O 3.36Å; V5-V20 HydrophobicContact CG2-CG1 4.45Å; V8-V20 HydrophobicContact CB-CG2 4.42Å; V8-V20 HydrophobicContact CG1-CG2 3.7Å; N9-V20 PolarHBondContact ND2-O 3.02Å; N9-V20 WeakPolarHBondContact OD1-CA 3.48Å; N9-V20 WeakPolarHBondContact OD1-CB 3.23Å; N9-V20 PolarHBondContact OD1-N 2.96Å; N9-V20 PolarHBondContact OD1-O 2.76Å
21K63.6Low61.4Low166 Ų166107.8 Ų107.872%0.72256%0.562SS**  trans-123.4157.3169-71.4-176175.8-1770109.3
22E62.3Low61.1Low74 Ų74106.9 Ų106.935%0.34656%0.558SS.*  trans-81.3116.4169.5-167.5162.896.100107.7M1 K2 V5 P24M1-E22 VanDerWaalsContact C-OE2 3.3Å; M1-E22 HydrophobicContact CB-CG 4.29Å; M1-E22 WeakPolarHBondContact CB-OE2 3.2Å; K2-E22 WeakPolarHBondContact CA-OE2 3.04Å; K2-E22 WeakPolarHBondContact CE-OE1 3.46Å; K2-E22 VanDerWaalsContact CG-OE1 3.27Å; K2-E22 WeakPolarHBondContact CG-OE1 3.42Å; K2-E22 WeakPolarHBondContact CG-OE2 3.32Å; K2-E22 PolarHBondContact N-OE2 2.83Å; V5-E22 HydrophobicContact CG2-CB 4.44Å; E22-P24 WeakPolarHBondContact O-CD 3.15Å
23D66Low60.9Low56 Ų56107.2 Ų107.230%0.29956%0.559SS.*  trans-11188176.4-170.9-142000108.3D25 G26 V27 I28D23-D25 VanDerWaalsContact C-N 3.3Å; D23-D25 PolarHBondContact O-N 3.41Å; D23-G26 VanDerWaalsContact OD1-CA 3.23Å; D23-G26 WeakPolarHBondContact OD1-CA 3.21Å; D23-V27 PolarHBondContact OD1-N 2.9Å; D23-I28 WeakPolarHBondContact OD1-CB 3.32Å; D23-I28 PolarHBondContact OD1-N 3.48Å; D23-I28 WeakPolarHBondContact OD2-CD1 3.47Å; D23-I28 WeakPolarHBondContact OD2-CG1 3.26Å
24P59.4Low60.7Low104 Ų104103.9 Ų103.968%0.67555%0.552SS**THydrogen-bonded Turntrans-68-27.4-167.124-32.1000114E22E22-P24 WeakPolarHBondContact O-CD 3.15Å
25D62.6Low60.7Low130 Ų130101.7 Ų101.770%0.69553%0.534SS*.THydrogen-bonded Turntrans-105.40.8-175.1-55.4-78.9000113.5D23 V27D23-D25 VanDerWaalsContact C-N 3.3Å; D23-D25 PolarHBondContact O-N 3.41Å; D25-V27 HydrophobicContact CB-CG2 4.04Å; D25-V27 PolarHBondContact O-N 2.63Å; D25-V27 VanDerWaalsContact O-N 3.09Å
26G60.5Low60Low25 Ų25103.1 Ų103.126%0.25853%0.534SS..SBendtrans68.52177.400000116.4D23 I28 A29 Q30D23-G26 VanDerWaalsContact OD1-CA 3.23Å; D23-G26 WeakPolarHBondContact OD1-CA 3.21Å; G26-I28 VanDerWaalsContact C-N 3.29Å; G26-I28 PolarHBondContact O-N 3.33Å; G26-A29 PolarHBondContact O-N 3.18Å; G26-Q30 PolarHBondContact O-N 3.24Å; G26-Q30 VanDerWaalsContact O-N 3.1Å
27V64.9Low59.9Low70 Ų70101.2 Ų101.242%0.42453%0.534SS..Hα-helixtrans-64.8-30-174.3179.90000112.3D23 D25 R31D23-V27 PolarHBondContact OD1-N 2.9Å; D25-V27 HydrophobicContact CB-CG2 4.04Å; D25-V27 PolarHBondContact O-N 2.63Å; D25-V27 VanDerWaalsContact O-N 3.09Å; V27-R31 WeakPolarHBondContact O-CB 3.18Å; V27-R31 PolarHBondContact O-N 3.37Å
28I62Low59.1Low101 Ų101104.9 Ų104.952%0.51854%0.542SS..Hα-helixtrans-74.3-41177-60.1176.6000110D23 G26 Q30 R31 E32D23-I28 WeakPolarHBondContact OD1-CB 3.32Å; D23-I28 PolarHBondContact OD1-N 3.48Å; D23-I28 WeakPolarHBondContact OD2-CD1 3.47Å; D23-I28 WeakPolarHBondContact OD2-CG1 3.26Å; G26-I28 VanDerWaalsContact C-N 3.29Å; G26-I28 PolarHBondContact O-N 3.33Å; I28-Q30 PolarHBondContact O-N 3.37Å; I28-R31 PolarHBondContact O-N 2.72Å; I28-E32 PolarHBondContact O-N 2.89Å
29A61.2Low58.2Low55 Ų55106.5 Ų106.546%0.45556%0.564SS.*Hα-helixtrans-60.9-45.5176.300000111.9G26 R31 E32 I33G26-A29 PolarHBondContact O-N 3.18Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 3.48Å; A29-E32 PolarHBondContact O-N 2.96Å; A29-I33 WeakPolarHBondContact O-CD1 3.14Å; A29-I33 VanDerWaalsContact O-CG1 3.32Å; A29-I33 WeakPolarHBondContact O-CG1 3.42Å; A29-I33 PolarHBondContact O-N 3.08Å; A29-I33 VanDerWaalsContact O-N 3.15Å
30Q59.4Low56.9Low141 Ų141101.4 Ų101.466%0.65956%0.564SS**Hα-helixtrans-60.5-39.9175.5-69.1176.1-3.200112.2G26 I28 I33 G34G26-Q30 PolarHBondContact O-N 3.24Å; G26-Q30 VanDerWaalsContact O-N 3.1Å; I28-Q30 PolarHBondContact O-N 3.37Å; Q30-I33 PolarHBondContact O-N 2.94Å; Q30-G34 PolarHBondContact O-N 2.89Å; Q30-G34 VanDerWaalsContact O-N 3.11Å
31R61.8Low55.1Low168 Ų168101.8 Ų101.863%0.63458%0.58SS**Hα-helixtrans-68.9-36.5-179.9-171177.4-62.8-172.90.7113.4V27 I28 A29 K35V27-R31 WeakPolarHBondContact O-CB 3.18Å; V27-R31 PolarHBondContact O-N 3.37Å; I28-R31 PolarHBondContact O-N 2.72Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 3.48Å; R31-K35 PolarHBondContact O-N 3.43Å
32E59.1Low53.7Low105 Ų105103 Ų10349%0.49159%0.588SS.*Hα-helixtrans-72.5-36.2176.4-69.6-66.7108.300111.8I28 A29 G34 K35 S36I28-E32 PolarHBondContact O-N 2.89Å; A29-E32 PolarHBondContact O-N 2.96Å; E32-G34 VanDerWaalsContact C-N 3.32Å; E32-G34 PolarHBondContact O-N 3.11Å; E32-K35 PolarHBondContact O-N 3.44Å; E32-K35 WeakPolarHBondContact OE1-CE 3.24Å; E32-K35 IonicContact OE1-NZ 2.72Å; E32-K35 PolarHBondContact OE1-NZ 2.81Å; E32-S36 PolarHBondContact O-N 3.31Å
33I59.3Low52.9Low107 Ų107105.4 Ų105.455%0.54961%0.61SS.*Hα-helixtrans-62.6-38.3172.8-67165.1000111.3A29 Q30 K35 S36A29-I33 WeakPolarHBondContact O-CD1 3.14Å; A29-I33 VanDerWaalsContact O-CG1 3.32Å; A29-I33 WeakPolarHBondContact O-CG1 3.42Å; A29-I33 PolarHBondContact O-N 3.08Å; A29-I33 VanDerWaalsContact O-N 3.15Å; Q30-I33 PolarHBondContact O-N 2.94Å; I33-K35 VanDerWaalsContact C-N 3.3Å; I33-K35 PolarHBondContact O-N 3.12Å; I33-S36 PolarHBondContact O-OG 2.88Å; I33-S36 VanDerWaalsContact O-OG 3.07Å
34G52.1Low51.1Low41 Ų41106.1 Ų106.142%0.42363%0.631SS.*Hα-helixtrans-63.7-31.117500000114.1Q30 E32Q30-G34 PolarHBondContact O-N 2.89Å; Q30-G34 VanDerWaalsContact O-N 3.11Å; E32-G34 VanDerWaalsContact C-N 3.32Å; E32-G34 PolarHBondContact O-N 3.11Å
35K52.2Low49.7Very low121 Ų121105.7 Ų105.753%0.52664%0.636SS.*Hα-helixtrans-74.7-38.6178.6-72.5176.5-177.1167.50113.3R31 E32 I33 Q37 Q38R31-K35 PolarHBondContact O-N 3.43Å; E32-K35 PolarHBondContact O-N 3.44Å; E32-K35 WeakPolarHBondContact OE1-CE 3.24Å; E32-K35 IonicContact OE1-NZ 2.72Å; E32-K35 PolarHBondContact OE1-NZ 2.81Å; I33-K35 VanDerWaalsContact C-N 3.3Å; I33-K35 PolarHBondContact O-N 3.12Å; K35-Q37 PolarHBondContact O-N 2.84Å; K35-Q38 PolarHBondContact O-N 2.88Å; K35-Q38 VanDerWaalsContact O-N 3.09Å
36S49.7Very low48.3Very low90 Ų90109.1 Ų109.163%0.62965%0.65SS**Hα-helixtrans-67.7-21.6-17658.80000113E32 I33E32-S36 PolarHBondContact O-N 3.31Å; I33-S36 PolarHBondContact O-OG 2.88Å; I33-S36 VanDerWaalsContact O-OG 3.07Å
37Q49.8Very low46.8Very low165 Ų165111.6 Ų111.677%0.77168%0.676SS**THydrogen-bonded Turntrans-76.9-15.2173-68-174.9-23.100114.2K35K35-Q37 PolarHBondContact O-N 2.84Å
38Q44.9Very low45.2Very low181 Ų181111.6 Ų111.685%0.84669%0.69SS**THydrogen-bonded Turntrans-103.517.9-173.4-149.3177.411.700114.2K35K35-Q38 PolarHBondContact O-N 2.88Å; K35-Q38 VanDerWaalsContact O-N 3.09Å
39A41.7Very low43.9Very low90 Ų90116.3 Ų116.374%0.74471%0.712SS**  trans-115.727.7-173.900000114.2
40G34.2Very low42.5Very low79 Ų79117.1 Ų117.181%0.81473%0.726SS**  trans-133.959.3-169.600000115.7
41G30.1Very low41.3Very low69 Ų69114.4 Ų114.471%0.71174%0.736SS**  trans179.8112.9170.800000116.4
42H34.6Very low40.1Very low191 Ų191115.6 Ų115.688%0.88475%0.751SS**  trans-175.3164.9160.4-100.7-19.9000109.1
43P44.9Very low39Very low124 Ų124117.8 Ų117.881%0.80577%0.766SS**  cis-129.3166.214.340.9-26.2000117.1
44G29.3Very low37.8Very low72 Ų72123.1 Ų123.174%0.74278%0.779SS**  trans86.7156.2158.900000117
45A29.8Very low37Very low94 Ų94129.1 Ų129.178%0.77780%0.798SS**  cis-162.2149-18.600000109.7
46M32Very low35.9Very low203 Ų203127.3 Ų127.3100%181%0.814SS**  trans62.7149.6-177.3-56.2176.2169.900115.3
47G29.8Very low35.2Very low76 Ų76126.6 Ų126.678%0.78482%0.821SS**  cis166.8132.8-14.600000114.1
48G31Very low34.7Very low71 Ų71127.6 Ų127.673%0.73283%0.828SS**  trans88.8119.2148.600000119.2
49M35Very low34.5Very low199 Ų199126.5 Ų126.598%0.9883%0.828SS**  trans64.3152160.7-67140.374.600116.2
50G32Very low34.3Very low73 Ų73133.3 Ų133.375%0.75384%0.835SS**  cis130.899.18.700000107.6
51G33.8Very low34.4Very low83 Ų83138.3 Ų138.386%0.85684%0.839SS**  trans-74.8163.5-160.700000115.6
52M37.5Very low34.4Very low194 Ų194138.7 Ų138.796%0.95684%0.843SS**  trans-151.9139.6167.5-140.6165.7-17200110.7
53D34.8Very low34.3Very low151 Ų151133.2 Ų133.281%0.80784%0.838SS**  trans-83.3171.4-172.2-56.1-105.3000115
54R34.5Very low34.2Very low218 Ų218135.7 Ų135.782%0.82384%0.841SS**  trans98.3139.6153.7-64.8-176.3165.2-166.3-3.3120.7
55M34.4Very low34.7Very low167 Ų167139.6 Ų139.682%0.82385%0.845SS**  trans64.887.6140.8-72164.8159.700119.3
56G30.4Very low35.3Very low83 Ų83146.5 Ų146.586%0.85685%0.851SS**  70.5105.386.900000119.4
57G33.6Very low35.7Very low76 Ų76146.3 Ų146.378%0.78485%0.85SS**  trans84121.614600000118.2
58M40.3Very low35.9Very low186 Ų186146.5 Ų146.592%0.91685%0.852SS**  -174.6133.3121-141.967.7161.100111.1
59D40.1Very low36.4Very low157 Ų157146.5 Ų146.584%0.8485%0.852SS**  trans-76137.6169.7-53.1-105.1000111.8
60R38.4Very low36.8Very low234 Ų234146 Ų14688%0.88385%0.85SS**  trans-165.3138.8149.8-115.1166.8-170.4-168.51.6115.1
61M36Very low37Very low183 Ų183150.2 Ų150.290%0.90186%0.855SS**  trans1.1141148.9-61.8156.5161.200117.9
62G30.6Very low37.3Very low77 Ų77157.8 Ų157.879%0.79486%0.858SS**  cis134.6141.111.100000111.3
63G32.1Very low37.5Very low76 Ų76157.2 Ų157.278%0.78486%0.855SS**  trans85.4137.6-173.800000112.4
64M42.6Very low37.5Very low176 Ų176152.7 Ų152.787%0.86784%0.844SS**  -164.511556.4-175.178.6155.100111.1R66M64-R66 PolarHBondContact O-N 2.79Å
65D40.8Very low38.1Very low155 Ų155148.9 Ų148.983%0.82985%0.847SS**  trans-70.7125.1174.5-56.4-103000112.1
66R41.5Very low38.2Very low239 Ų239143.6 Ų143.690%0.90284%0.836SS**  trans-157.5139.5154.1-115.1166.9-162.4-150.51.3113.6M64M64-R66 PolarHBondContact O-N 2.79Å
67M40.4Very low39Very low198 Ų198146.1 Ų146.198%0.97584%0.837SS**  trans-67.1151.3-179.5-63.6162.2162.900112.4
68G33.1Very low39.6Very low80 Ų80146.4 Ų146.483%0.82584%0.84SS**  trans-165.625.2-176.500000118.2
69G41.7Very low39.7Very low72 Ų72140 Ų14074%0.74282%0.821SS**  trans62.797.9160.300000118.9
70M43.1Very low39.8Very low188 Ų188138.5 Ų138.593%0.92682%0.82SS**  trans-164.7105.2144.1-114.3-179.4175.800109.1R72M70-R72 PolarHBondContact O-N 3.43Å
71D36.3Very low40.3Very low162 Ų162134.2 Ų134.287%0.86681%0.814SS**  trans-65.396.9177.5-65.5-90.7000110.2M73D71-M73 PolarHBondContact O-N 2.94Å
72R40.5Very low41.5Very low242 Ų242128.1 Ų128.191%0.91379%0.787SS**  trans-75.972.5-174.4-162.4-177.6-164.2-152.65.8110.2M70 G74M70-R72 PolarHBondContact O-N 3.43Å; R72-G74 PolarHBondContact O-N 3.29Å
73M42.9Very low42.8Very low181 Ų181130 Ų13089%0.89279%0.788SS**  trans-42112178.2-153.772.1162.500109.6D71D71-M73 PolarHBondContact O-N 2.94Å
74G33.9Very low44.4Very low56 Ų56127.4 Ų127.458%0.57776%0.756SS**  trans-62.6145.9-168.800000111.8R72 G76R72-G74 PolarHBondContact O-N 3.29Å; G74-G76 PolarHBondContact O-N 3.08Å
75P46.9Very low45.5Very low138 Ų138121.6 Ų121.690%0.89673%0.731SS**  trans-61111.6173.626.1-33000109.2
76G36.9Very low46.5Very low57 Ų57118.4 Ų118.459%0.58872%0.719SS**  trans-61161.8177.100000112.3G74 G78G74-G76 PolarHBondContact O-N 3.08Å; G76-G78 PolarHBondContact O-N 2.71Å; G76-G78 VanDerWaalsContact O-N 3.1Å
77P48.3Very low47.5Very low136 Ų136111.5 Ų111.588%0.88371%0.707SS**  trans-59.1117.3-172.723.8-33.9000111.5G79P77-G79 PolarHBondContact O-N 2.94Å
78G45.5Very low48.7Very low81 Ų81102.5 Ų102.584%0.83566%0.663SS**  trans-70.992.4-175.900000113G76G76-G78 PolarHBondContact O-N 2.71Å; G76-G78 VanDerWaalsContact O-N 3.1Å
79G41.1Very low50Low51 Ų51102.3 Ų102.353%0.52664%0.643SS.*  trans-63.2159.4149.100000110.4P77 L81P77-G79 PolarHBondContact O-N 2.94Å; G79-L81 PolarHBondContact O-N 2.72Å
80P42.9Very low50.9Low126 Ų126105.1 Ų105.182%0.81864%0.641SS**  trans-65.7102.2178.727.3-33.9000110.3V82P80-V82 PolarHBondContact O-N 2.82Å
81L48.5Very low52Low144 Ų14497.9 Ų97.975%0.75461%0.606SS**  trans-61.5103.3173.4-75.4169.6000109.3G79 S83G79-L81 PolarHBondContact O-N 2.72Å; L81-S83 PolarHBondContact O-N 2.91Å; L81-S83 VanDerWaalsContact O-N 3.1Å
82V61.3Low53.3Low56 Ų5696.2 Ų96.234%0.33960%0.604SS.*  trans-59.6115.4171.3179.80000107.6P80 I84 I160P80-V82 PolarHBondContact O-N 2.82Å; V82-I84 PolarHBondContact O-N 2.75Å; V82-I160 HydrophobicContact CG1-CB 4.36Å
83S57.9Low54.4Low115 Ų11589.9 Ų89.980%0.80459%0.588SS**  trans-71.294179.9-168.90000109.6L81 P85L81-S83 PolarHBondContact O-N 2.91Å; L81-S83 VanDerWaalsContact O-N 3.1Å; S83-P85 WeakPolarHBondContact O-CD 3.45Å
84I65.5Low55.5Low23 Ų2381.6 Ų81.612%0.11855%0.548CS..  trans-71.9119.3-179.6-61.3-175.5000108.7V82 L88 L89 I99 L102 Q103 I160V82-I84 PolarHBondContact O-N 2.75Å; I84-L88 HydrophobicContact CG2-CB 3.98Å; I84-L89 HydrophobicContact CB-CD1 4.48Å; I84-L89 HydrophobicContact CG2-CD1 4.07Å; I84-I99 HydrophobicContact CD1-CG2 3.91Å; I84-I99 WeakPolarHBondContact CD1-O 3.37Å; I84-L102 HydrophobicContact CD1-CB 3.71Å; I84-L102 HydrophobicContact CD1-CD1 3.98Å; I84-Q103 HydrophobicContact CD1-CG 3.7Å; I84-Q103 HydrophobicContact CG1-CG 4.48Å; I84-I160 HydrophobicContact CB-CD1 4.43Å; I84-I160 HydrophobicContact CG1-CD1 4.01Å; I84-I160 HydrophobicContact CG2-CD1 4.23Å
85P67.4Low56.9Low54 Ų5482.1 Ų82.135%0.35154%0.54SS..  trans-64.8144.6176.127.2-34.4000110.6S83 S87 L88 L89S83-P85 WeakPolarHBondContact O-CD 3.45Å; P85-S87 PolarHBondContact O-N 3.42Å; P85-L88 HydrophobicContact CG-CD1 3.88Å; P85-L88 HydrophobicContact CG-CG 4.14Å; P85-L88 PolarHBondContact O-N 2.99Å; P85-L89 PolarHBondContact O-N 2.83Å
86P60.4Low57.8Low88 Ų8880.8 Ų80.857%0.57153%0.526SS*.Hα-helixtrans-59.9-24-173.723.1-34000113.7L88 L89 N90P86-L88 PolarHBondContact O-N 2.93Å; P86-L89 PolarHBondContact O-N 3.17Å; P86-L89 VanDerWaalsContact O-N 3.13Å; P86-N90 PolarHBondContact O-N 3.33Å
87S63.4Low59Low93 Ų9383.6 Ų83.665%0.6552%0.524SS*.Hα-helixtrans-65.1-20.4174.4-43.60000114.6P85P85-S87 PolarHBondContact O-N 3.42Å
88L64.8Low60Low9 Ų978.5 Ų78.55%0.04749%0.489CS..Hα-helixtrans-96.9-24.9170.8-63.7176000111.6I84 P85 P86 I94 I160 Q164I84-L88 HydrophobicContact CG2-CB 3.98Å; P85-L88 HydrophobicContact CG-CD1 3.88Å; P85-L88 HydrophobicContact CG-CG 4.14Å; P85-L88 PolarHBondContact O-N 2.99Å; P86-L88 PolarHBondContact O-N 2.93Å; L88-I94 HydrophobicContact CB-CD1 4.26Å; L88-I94 HydrophobicContact CD2-CD1 3.79Å; L88-I160 HydrophobicContact CD1-CD1 3.52Å; L88-I160 HydrophobicContact CD1-CG1 3.74Å; L88-Q164 HydrophobicContact CD1-CB 4.2Å; L88-Q164 HydrophobicContact CD2-CB 3.96Å; L88-Q164 HydrophobicContact CD2-CG 4.29Å
89L61.1Low61.1Low77 Ų7775 Ų7540%0.40345%0.451SS..Hα-helixtrans-70.4-38.7176.9-149.984.3000112.6I84 P85 P86 I99I84-L89 HydrophobicContact CB-CD1 4.48Å; I84-L89 HydrophobicContact CG2-CD1 4.07Å; P85-L89 PolarHBondContact O-N 2.83Å; P86-L89 PolarHBondContact O-N 3.17Å; P86-L89 VanDerWaalsContact O-N 3.13Å; L89-I99 HydrophobicContact CD1-CG2 3.52Å; L89-I99 WeakPolarHBondContact O-CD1 3.39Å
90N61.3Low62.3Low131 Ų13177.6 Ų77.670%0.70145%0.449SS*.THydrogen-bonded Turntrans-97.818-174.5-67-13.4000113.6P86P86-N90 PolarHBondContact O-N 3.33Å
91N65.6Low63.4Low35 Ų3572 Ų7219%0.18741%0.414CS..  trans-97.1114.5-170-164.6-41.4000111.7N93 I94 S167N91-N93 PolarHBondContact O-N 3.33Å; N91-N93 WeakPolarHBondContact OD1-CB 3.49Å; N91-N93 PolarHBondContact OD1-N 2.95Å; N91-N93 VanDerWaalsContact OD1-N 3.17Å; N91-N93 PolarHBondContact OD1-ND2 3.46Å; N91-I94 HydrophobicContact CB-CD1 3.93Å; N91-I94 HydrophobicContact CB-CG1 4.19Å; N91-I94 PolarHBondContact O-N 2.82Å; N91-S167 VanDerWaalsContact CG-OG 3.28Å; N91-S167 PolarHBondContact ND2-OG 3.06Å; N91-S167 PolarHBondContact OD1-OG 3.15Å
92P63.8Low64.4Low127 Ų12765.2 Ų65.283%0.82538%0.379SS*.THydrogen-bonded Turntrans-66.9-9.5-174.628.7-36.4000114.2
93N62.6Low64.6Low109 Ų10966.2 Ų66.258%0.58338%0.379SS*.THydrogen-bonded Turntrans-88-4.6176.1-53.3-80.6000113.1N91N91-N93 PolarHBondContact O-N 3.33Å; N91-N93 WeakPolarHBondContact OD1-CB 3.49Å; N91-N93 PolarHBondContact OD1-N 2.95Å; N91-N93 VanDerWaalsContact OD1-N 3.17Å; N91-N93 PolarHBondContact OD1-ND2 3.46Å
94I66.8Low64.9Low8 Ų864.7 Ų64.74%0.04137%0.365CS..SBendtrans-115.8109178.8-53.9172.6000107.9L88 N91 I98 I99 V163L88-I94 HydrophobicContact CB-CD1 4.26Å; L88-I94 HydrophobicContact CD2-CD1 3.79Å; N91-I94 HydrophobicContact CB-CD1 3.93Å; N91-I94 HydrophobicContact CB-CG1 4.19Å; N91-I94 PolarHBondContact O-N 2.82Å; I94-I98 HydrophobicContact CG2-CB 3.9Å; I94-I98 HydrophobicContact CG2-CG2 3.7Å; I94-I99 HydrophobicContact CG2-CD1 4.37Å; I94-I99 HydrophobicContact CG2-CG1 3.91Å; I94-V163 HydrophobicContact CD1-CG1 3.72Å; I94-V163 HydrophobicContact CG1-CG1 4.25Å; I94-V163 HydrophobicContact CG2-CG1 3.88Å
95P63.7Low64.8Low66 Ų6666.4 Ų66.443%0.42939%0.389SS..  trans-62144.1173.225-34.4000111.2E97 I98P95-E97 PolarHBondContact O-N 3.33Å; P95-I98 HydrophobicContact CG-CB 4.48Å; P95-I98 HydrophobicContact CG-CD1 3.81Å; P95-I98 HydrophobicContact CG-CG1 4.05Å; P95-I98 WeakPolarHBondContact O-CB 3.42Å; P95-I98 PolarHBondContact O-N 3.32Å
96N64.9Low64.7Low110 Ų11072 Ų7259%0.58840%0.403SS*.Hα-helixtrans-57.2-26.8-175.7-64-6.7000113.4I98 I99 H100N96-I98 VanDerWaalsContact C-N 3.28Å; N96-I98 PolarHBondContact O-N 2.89Å; N96-I99 WeakPolarHBondContact O-CB 3.48Å; N96-I99 PolarHBondContact O-N 3.4Å; N96-I99 VanDerWaalsContact O-N 3.1Å; N96-H100 PolarHBondContact O-CD2 2.96Å; N96-H100 PolarHBondContact O-N 3.12Å
97E62.6Low65.4Low117 Ų11768.3 Ų68.355%0.54738%0.379SS..Hα-helixtrans-61.9-33173.8-65.2160.2100.500112.7P95 G101 F192P95-E97 PolarHBondContact O-N 3.33Å; E97-G101 PolarHBondContact O-N 2.83Å; E97-F192 HydrophobicContact CB-CE1 4.29Å; E97-F192 HydrophobicContact CB-CZ 3.97Å; E97-F192 HydrophobicContact CG-CZ 4.32Å; E97-F192 WeakPolarHBondContact OE1-CE1 3.13Å
98I68.2Low66.2Low29 Ų2965.3 Ų65.315%0.14936%0.362CS..Hα-helixtrans-71.8-37172.7-71.6178000110.7I94 P95 N96 G101 L102 I107 V163 L183I94-I98 HydrophobicContact CG2-CB 3.9Å; I94-I98 HydrophobicContact CG2-CG2 3.7Å; P95-I98 HydrophobicContact CG-CB 4.48Å; P95-I98 HydrophobicContact CG-CD1 3.81Å; P95-I98 HydrophobicContact CG-CG1 4.05Å; P95-I98 WeakPolarHBondContact O-CB 3.42Å; P95-I98 PolarHBondContact O-N 3.32Å; N96-I98 VanDerWaalsContact C-N 3.28Å; N96-I98 PolarHBondContact O-N 2.89Å; I98-G101 PolarHBondContact O-N 2.95Å; I98-L102 WeakPolarHBondContact O-CG 3.24Å; I98-L102 PolarHBondContact O-N 3.48Å; I98-I107 HydrophobicContact CB-CD1 4.12Å; I98-I107 HydrophobicContact CG1-CD1 4.19Å; I98-I107 HydrophobicContact CG2-CD1 3.93Å; I98-I107 WeakPolarHBondContact O-CD1 3.2Å; I98-V163 HydrophobicContact CG2-CB 4.24Å; I98-V163 HydrophobicContact CG2-CG1 3.71Å; I98-V163 HydrophobicContact CG2-CG2 3.43Å; I98-V163 VanDerWaalsContact CG2-CG2 3.43Å; I98-L183 HydrophobicContact CD1-CD1 3.71Å; I98-L183 HydrophobicContact CD1-CG 4.46Å; I98-L183 HydrophobicContact CG1-CD1 3.94Å; I98-L183 HydrophobicContact CG2-CD1 4.16Å
99I69.9Low67.3Low8 Ų866.1 Ų66.14%0.04137%0.369CS..Hα-helixtrans-64.1-43.9175.3-64.3168000110.5I84 L89 I94 N96 L102 Q103I84-I99 HydrophobicContact CD1-CG2 3.91Å; I84-I99 WeakPolarHBondContact CD1-O 3.37Å; L89-I99 HydrophobicContact CD1-CG2 3.52Å; L89-I99 WeakPolarHBondContact O-CD1 3.39Å; I94-I99 HydrophobicContact CG2-CD1 4.37Å; I94-I99 HydrophobicContact CG2-CG1 3.91Å; N96-I99 WeakPolarHBondContact O-CB 3.48Å; N96-I99 PolarHBondContact O-N 3.4Å; N96-I99 VanDerWaalsContact O-N 3.1Å; I99-L102 WeakPolarHBondContact O-CB 3.5Å; I99-L102 PolarHBondContact O-N 3.26Å; I99-Q103 WeakPolarHBondContact O-CG 3.23Å; I99-Q103 PolarHBondContact O-N 2.84Å; I99-Q103 VanDerWaalsContact O-N 3.17Å
100H65.9Low68.7Low105 Ų10564 Ų6449%0.48636%0.359SS..Hα-helixtrans-72.3-33.1174.8-65.4-52.2000113.1N96 L102 Q103 T104N96-H100 PolarHBondContact O-CD2 2.96Å; N96-H100 PolarHBondContact O-N 3.12Å; H100-L102 VanDerWaalsContact C-N 3.31Å; H100-L102 PolarHBondContact O-N 2.93Å; H100-Q103 PolarHBondContact ND1-OE1 3.33Å; H100-Q103 PolarHBondContact O-N 2.88Å; H100-T104 WeakPolarHBondContact O-CB 3.09Å; H100-T104 WeakPolarHBondContact O-CG2 3.42Å; H100-T104 PolarHBondContact O-N 3.44Å; H100-T104 PolarHBondContact O-OG1 3.43Å
101G66.8Low70.2Confident8 Ų857.8 Ų57.88%0.08233%0.326CS..Hα-helixtrans-64.3-33.7173.300000113.2E97 I98 T104 G105 R106 I107E97-G101 PolarHBondContact O-N 2.83Å; I98-G101 PolarHBondContact O-N 2.95Å; G101-T104 WeakPolarHBondContact CA-OG1 3.24Å; G101-T104 PolarHBondContact O-OG1 2.85Å; G101-G105 PolarHBondContact O-N 2.86Å; G101-R106 PolarHBondContact O-N 3.34Å; G101-I107 PolarHBondContact O-N 2.91Å
102L68.7Low71.5Confident2 Ų258.9 Ų58.91%0.0133%0.329CS..Hα-helixtrans-66-50.8168.9-77.5168.1000111.8I84 I98 I99 H100 T104 G105 P159 I160 V163I84-L102 HydrophobicContact CD1-CB 3.71Å; I84-L102 HydrophobicContact CD1-CD1 3.98Å; I98-L102 WeakPolarHBondContact O-CG 3.24Å; I98-L102 PolarHBondContact O-N 3.48Å; I99-L102 WeakPolarHBondContact O-CB 3.5Å; I99-L102 PolarHBondContact O-N 3.26Å; H100-L102 VanDerWaalsContact C-N 3.31Å; H100-L102 PolarHBondContact O-N 2.93Å; L102-T104 PolarHBondContact O-N 2.8Å; L102-G105 PolarHBondContact O-N 2.88Å; L102-G105 VanDerWaalsContact O-N 3.1Å; L102-P159 HydrophobicContact CD2-CB 3.87Å; L102-P159 HydrophobicContact CD2-CG 4.21Å; L102-P159 WeakPolarHBondContact CD2-O 3.39Å; L102-I160 HydrophobicContact CD1-CD1 3.64Å; L102-I160 HydrophobicContact CD2-CD1 4.33Å; L102-V163 HydrophobicContact CD1-CB 3.93Å; L102-V163 HydrophobicContact CD1-CG1 3.91Å; L102-V163 HydrophobicContact CD1-CG2 3.8Å; L102-V163 HydrophobicContact CD2-CG2 3.94Å; L102-V163 HydrophobicContact CG-CG2 3.97Å
103Q64.6Low72.9Confident76 Ų7652.8 Ų52.836%0.35529%0.29SS..Hα-helixtrans-59.8-34.6179.7-71.3172.5-19.900112.8I84 I99 H100I84-Q103 HydrophobicContact CD1-CG 3.7Å; I84-Q103 HydrophobicContact CG1-CG 4.48Å; I99-Q103 WeakPolarHBondContact O-CG 3.23Å; I99-Q103 PolarHBondContact O-N 2.84Å; I99-Q103 VanDerWaalsContact O-N 3.17Å; H100-Q103 PolarHBondContact ND1-OE1 3.33Å; H100-Q103 PolarHBondContact O-N 2.88Å
104T64.1Low74.3Confident83 Ų8348.7 Ų48.751%0.50927%0.27SS..THydrogen-bonded Turntrans-88.81.6179.454.60000113.9H100 G101 L102 R106H100-T104 WeakPolarHBondContact O-CB 3.09Å; H100-T104 WeakPolarHBondContact O-CG2 3.42Å; H100-T104 PolarHBondContact O-N 3.44Å; H100-T104 PolarHBondContact O-OG1 3.43Å; G101-T104 WeakPolarHBondContact CA-OG1 3.24Å; G101-T104 PolarHBondContact O-OG1 2.85Å; L102-T104 PolarHBondContact O-N 2.8Å; T104-R106 PolarHBondContact O-N 3.19Å; T104-R106 WeakPolarHBondContact OG1-CG 3.42Å
105G63.7Low75.6Confident60 Ų6050.7 Ų50.762%0.61928%0.282SS*.THydrogen-bonded Turntrans64.615.2-179.300000114.6G101 L102 I107G101-G105 PolarHBondContact O-N 2.86Å; L102-G105 PolarHBondContact O-N 2.88Å; L102-G105 VanDerWaalsContact O-N 3.1Å; G105-I107 VanDerWaalsContact C-N 3.35Å
106R65.8Low76.9Confident172 Ų17247.6 Ų47.665%0.64926%0.261SS*.  trans-86.7-4.9-176.8-61.5-178178.3-167.10.6113.6G101 T104 P189G101-R106 PolarHBondContact O-N 3.34Å; T104-R106 PolarHBondContact O-N 3.19Å; T104-R106 WeakPolarHBondContact OG1-CG 3.42Å; R106-P189 HydrophobicContact CB-CG 4.04Å
107I75.4Confident78.2Confident10 Ų1043.5 Ų43.55%0.05124%0.239CC..SBendtrans-105.4126.4177.5-69178000110.3I98 G101 G105 P159 V163 L183 S187I98-I107 HydrophobicContact CB-CD1 4.12Å; I98-I107 HydrophobicContact CG1-CD1 4.19Å; I98-I107 HydrophobicContact CG2-CD1 3.93Å; I98-I107 WeakPolarHBondContact O-CD1 3.2Å; G101-I107 PolarHBondContact O-N 2.91Å; G105-I107 VanDerWaalsContact C-N 3.35Å; I107-P159 HydrophobicContact CG2-CB 4.47Å; I107-P159 WeakPolarHBondContact O-CB 3.44Å; I107-V163 HydrophobicContact CG2-CG2 4.49Å; I107-L183 HydrophobicContact CD1-CD1 3.97Å; I107-L183 HydrophobicContact CG1-CD1 4.48Å; I107-L183 HydrophobicContact CG2-CD1 3.8Å; I107-L183 HydrophobicContact CG2-CD2 4.14Å; I107-S187 WeakPolarHBondContact CA-O 3.4Å
108G79Confident79.5Confident30 Ų3045 Ų4531%0.30924%0.241SC..  trans-83.2162.417500000113.6T110 S187G108-T110 VanDerWaalsContact C-N 3.27Å; G108-T110 PolarHBondContact O-N 3.26Å; G108-S187 PolarHBondContact N-O 2.69Å; G108-S187 WeakPolarHBondContact O-CB 3.5Å
109S87.9Confident80.5Confident26 Ų2651.7 Ų51.718%0.18227%0.269CS..SBendtrans-82.513.6-175.463.50000115.8F156S109-F156 WeakPolarHBondContact CB-O 3.26Å; S109-F156 PolarHBondContact O-N 3.25Å; S109-F156 PolarHBondContact OG-O 2.73Å
110T90.4Very high81.4Confident32 Ų3251.4 Ų51.420%0.19627%0.267CS..EExtended strand (participates in β ladder)trans-99.5131.7178.9-570000111.3G108 V154 T155 D184 S187G108-T110 VanDerWaalsContact C-N 3.27Å; G108-T110 PolarHBondContact O-N 3.26Å; T110-V154 CarbonylContact C-O 3.58Å; T110-V154 WeakPolarHBondContact CA-O 3.46Å; T110-T155 PolarHBondContact OG1-OG1 2.81Å; T110-D184 HydrophobicContact CG2-CB 3.82Å; T110-D184 PolarHBondContact O-N 3.13Å; T110-D184 VanDerWaalsContact O-N 3.12Å; T110-S187 PolarHBondContact O-OG 3.47Å
111I93.1Very high82.6Confident0 Ų048.2 Ų48.20%026%0.263CS..EExtended strand (participates in β ladder)trans-108.4149168.961.5167.5000110.7V113 F129 T153 V154 F156 A162 A165 V166 V181 K182 L183I111-V113 HydrophobicContact CD1-CG2 3.95Å; I111-V113 HydrophobicContact CG1-CG2 4.26Å; I111-F129 HydrophobicContact CD1-CD1 3.62Å; I111-F129 HydrophobicContact CD1-CE1 3.24Å; I111-F129 HydrophobicContact CD1-CE2 4.39Å; I111-F129 HydrophobicContact CD1-CG 4.31Å; I111-F129 HydrophobicContact CD1-CZ 3.67Å; I111-T153 WeakPolarHBondContact O-CA 3.42Å; I111-V154 HydrophobicContact CD1-CB 3.96Å; I111-V154 HydrophobicContact CD1-CG1 4.48Å; I111-V154 HydrophobicContact CD1-CG2 4.42Å; I111-V154 HydrophobicContact CG1-CB 3.65Å; I111-V154 HydrophobicContact CG1-CG1 4.42Å; I111-V154 HydrophobicContact CG1-CG2 4.43Å; I111-V154 WeakPolarHBondContact CG1-O 3.47Å; I111-V154 PolarHBondContact N-O 3.37Å; I111-V154 PolarHBondContact O-N 2.94Å; I111-F156 HydrophobicContact CD1-CE2 3.75Å; I111-F156 HydrophobicContact CD1-CZ 4.44Å; I111-F156 HydrophobicContact CG1-CE2 3.98Å; I111-F156 HydrophobicContact CG2-CE2 4.44Å; I111-A162 HydrophobicContact CG2-CB 3.76Å; I111-A162 WeakPolarHBondContact CG2-O 3.4Å; I111-A165 HydrophobicContact CD1-CB 4.12Å; I111-V166 HydrophobicContact CG2-CG2 3.82Å; I111-V181 HydrophobicContact CB-CG1 4.34Å; I111-V181 HydrophobicContact CD1-CG1 3.68Å; I111-K182 CarbonylContact C-O 3.59Å; I111-K182 VanDerWaalsContact CA-O 3.24Å; I111-K182 WeakPolarHBondContact CA-O 3.28Å; I111-K182 VanDerWaalsContact CB-O 3.27Å; I111-K182 WeakPolarHBondContact CB-O 3.2Å; I111-L183 HydrophobicContact CG2-CD2 4.32Å
112F93.8Very high83.7Confident58 Ų5855 Ų5525%0.25429%0.286SS..EExtended strand (participates in β ladder)trans-101.2136.1166.8-177.6-110.1000109.9A114 L141 M151 G152 T153 K182 D184F112-A114 HydrophobicContact CD1-CB 4.47Å; F112-A114 HydrophobicContact CE1-CB 3.86Å; F112-A114 HydrophobicContact CZ-CB 4.47Å; F112-L141 HydrophobicContact CE2-CD2 4.4Å; F112-M151 HydrophobicContact CE2-CB 4.26Å; F112-M151 HydrophobicContact CZ-CB 4.03Å; F112-M151 HydrophobicContact CZ-CG 4.02Å; F112-M151 HydrophobicContact CZ-SD 3.88Å; F112-G152 WeakPolarHBondContact CD2-O 3.33Å; F112-T153 HydrophobicContact CD2-CG2 3.96Å; F112-K182 PolarHBondContact N-O 3.3Å; F112-K182 PolarHBondContact O-N 2.89Å; F112-D184 HydrophobicContact CB-CB 4.45Å
113V93.3Very high84.8Confident0 Ų061.1 Ų61.10%031%0.313CS..EExtended strand (participates in β ladder)trans-124.3124.7-177.3-168.40000109.1I111 L116 L125 F129 M151 G152 V154 M179 H180 V181I111-V113 HydrophobicContact CD1-CG2 3.95Å; I111-V113 HydrophobicContact CG1-CG2 4.26Å; V113-L116 HydrophobicContact CB-CD1 4.3Å; V113-L116 HydrophobicContact CG1-CD1 3.96Å; V113-L116 HydrophobicContact CG1-CD2 3.65Å; V113-L116 HydrophobicContact CG1-CG 3.82Å; V113-L125 HydrophobicContact CG1-CD1 4.31Å; V113-F129 HydrophobicContact CG1-CE2 4.19Å; V113-F129 HydrophobicContact CG1-CZ 4.23Å; V113-F129 HydrophobicContact CG2-CE2 3.71Å; V113-F129 HydrophobicContact CG2-CZ 3.63Å; V113-M151 CarbonylContact O-C 3.55Å; V113-M151 VanDerWaalsContact O-CA 3.24Å; V113-M151 WeakPolarHBondContact O-CA 3.35Å; V113-G152 PolarHBondContact N-O 2.87Å; V113-G152 PolarHBondContact O-N 3.27Å; V113-V154 HydrophobicContact CG2-CG2 4.2Å; V113-M179 HydrophobicContact CG1-CB 4.47Å; V113-M179 HydrophobicContact CG1-CE 4.1Å; V113-H180 CarbonylContact C-O 3.48Å; V113-H180 WeakPolarHBondContact CA-O 3.33Å; V113-V181 HydrophobicContact CG1-CG2 4.25Å; V113-V181 HydrophobicContact CG2-CG1 4.44Å
114A92.7Very high86.1Confident22 Ų2261.5 Ų61.518%0.18231%0.313CS..EExtended strand (participates in β ladder)trans-127167.2-176.600000112.2F112 L116 G150 M151 H180F112-A114 HydrophobicContact CD1-CB 4.47Å; F112-A114 HydrophobicContact CE1-CB 3.86Å; F112-A114 HydrophobicContact CZ-CB 4.47Å; A114-L116 PolarHBondContact O-N 3.34Å; A114-G150 CarbonylContact C-O 3.54Å; A114-M151 HydrophobicContact CB-CG 4.28Å; A114-H180 HydrophobicContact CB-CB 4.42Å; A114-H180 PolarHBondContact N-O 2.88Å; A114-H180 PolarHBondContact O-N 3.17Å
115N92.6Very high87.5Confident51 Ų5157.5 Ų57.527%0.27329%0.289SS..SBendtrans58.624.9-176.8-163.238.8000114.6G150 R177 T178N115-G150 PolarHBondContact N-O 3.1Å; N115-R177 WeakPolarHBondContact O-CB 3.4Å; N115-R177 PolarHBondContact O-NE 3.01Å; N115-R177 PolarHBondContact OD1-NE 3.34Å; N115-R177 VanDerWaalsContact OD1-NE 3.09Å; N115-R177 PolarHBondContact OD1-NH2 2.77Å; N115-T178 WeakPolarHBondContact CB-O 3.43Å; N115-T178 PolarHBondContact ND2-O 3.06Å; N115-T178 PolarHBondContact ND2-OG1 3.31Å
116L92.3Very high88.8Confident1 Ų158.2 Ų58.21%0.00528%0.275CS..  trans-62.8146.3173-66.8171.9000111V113 A114 V120 L125 I140 G150 L174 R177 M179V113-L116 HydrophobicContact CB-CD1 4.3Å; V113-L116 HydrophobicContact CG1-CD1 3.96Å; V113-L116 HydrophobicContact CG1-CD2 3.65Å; V113-L116 HydrophobicContact CG1-CG 3.82Å; A114-L116 PolarHBondContact O-N 3.34Å; L116-V120 HydrophobicContact CB-CB 4.37Å; L116-V120 HydrophobicContact CD1-CG1 4.45Å; L116-V120 HydrophobicContact CD2-CG1 4.29Å; L116-L125 HydrophobicContact CD1-CD1 3.71Å; L116-L125 HydrophobicContact CD1-CD2 4.27Å; L116-L125 HydrophobicContact CD2-CD1 3.84Å; L116-L125 HydrophobicContact CG-CD1 4.45Å; L116-I140 HydrophobicContact CD1-CD1 4.14Å; L116-G150 PolarHBondContact N-O 2.9Å; L116-G150 VanDerWaalsContact O-CA 3.29Å; L116-G150 WeakPolarHBondContact O-CA 3.2Å; L116-L174 HydrophobicContact CD2-CD2 4Å; L116-R177 VanDerWaalsContact O-CZ 3.26Å; L116-R177 PolarHBondContact O-NH1 2.89Å; L116-M179 HydrophobicContact CD2-CB 4.09Å; L116-M179 HydrophobicContact CD2-CE 4.45Å
117D91.8Very high90.1Very high24 Ų2454.1 Ų54.113%0.12826%0.263CS..  trans-64.5143.6167.7-168.5-82.1000111.1K119 V120 F175D117-K119 PolarHBondContact O-N 3.3Å; D117-K119 VanDerWaalsContact O-N 3.11Å; D117-K119 VanDerWaalsContact OD1-CB 3.28Å; D117-K119 WeakPolarHBondContact OD1-CB 3.33Å; D117-K119 WeakPolarHBondContact OD1-CG 3.47Å; D117-K119 PolarHBondContact OD1-N 3.05Å; D117-V120 HydrophobicContact CB-CG2 4.1Å; D117-V120 VanDerWaalsContact O-CB 3.28Å; D117-V120 WeakPolarHBondContact O-CB 3.38Å; D117-V120 WeakPolarHBondContact O-CG2 3.2Å; D117-V120 PolarHBondContact O-N 3.02Å; D117-F175 HydrophobicContact CB-CB 4.15Å; D117-F175 HydrophobicContact CB-CD2 4.21Å
118Y89.9Confident90.9Very high149 Ų14954.5 Ų54.558%0.58427%0.266SS*.THydrogen-bonded Turntrans-65.6-15.2-176.8-55.9-59.8000113.1V120 S148 R177Y118-V120 VanDerWaalsContact C-N 3.33Å; Y118-S148 WeakPolarHBondContact CD1-O 3.3Å; Y118-R177 VanDerWaalsContact CE2-NH1 3.3Å
119K88.7Confident91.5Very high169 Ų16953.1 Ų53.174%0.73525%0.251SS*.THydrogen-bonded Turntrans-79.6-10.4170.7-60.2169.4-176.2174.40113.3D117 G121D117-K119 PolarHBondContact O-N 3.3Å; D117-K119 VanDerWaalsContact O-N 3.11Å; D117-K119 VanDerWaalsContact OD1-CB 3.28Å; D117-K119 WeakPolarHBondContact OD1-CB 3.33Å; D117-K119 WeakPolarHBondContact OD1-CG 3.47Å; D117-K119 PolarHBondContact OD1-N 3.05Å; K119-G121 PolarHBondContact O-N 3.06Å; K119-G121 VanDerWaalsContact O-N 3.12Å
120V90.1Very high91.8Very high1 Ų155.2 Ų55.21%0.00627%0.266CS..  trans-79.292.2176.9-175.30000109.9L116 D117 Y118 L125 L174 F175L116-V120 HydrophobicContact CB-CB 4.37Å; L116-V120 HydrophobicContact CD1-CG1 4.45Å; L116-V120 HydrophobicContact CD2-CG1 4.29Å; D117-V120 HydrophobicContact CB-CG2 4.1Å; D117-V120 VanDerWaalsContact O-CB 3.28Å; D117-V120 WeakPolarHBondContact O-CB 3.38Å; D117-V120 WeakPolarHBondContact O-CG2 3.2Å; D117-V120 PolarHBondContact O-N 3.02Å; Y118-V120 VanDerWaalsContact C-N 3.33Å; V120-L125 HydrophobicContact CG1-CB 4.23Å; V120-L125 HydrophobicContact CG1-CD1 4.14Å; V120-L174 HydrophobicContact CG1-CD2 4.12Å; V120-L174 HydrophobicContact CG2-CD2 3.76Å; V120-L174 HydrophobicContact CG2-CG 4.08Å; V120-F175 HydrophobicContact CG2-CD2 3.73Å; V120-F175 HydrophobicContact CG2-CE2 3.74Å
121G91.1Very high91.7Very high38 Ų3859.9 Ų59.939%0.39229%0.287SS..  trans-74.8161.5165.100000112.5K119 K123 K124 L125K119-G121 PolarHBondContact O-N 3.06Å; K119-G121 VanDerWaalsContact O-N 3.12Å; G121-K123 PolarHBondContact O-N 3Å; G121-K123 VanDerWaalsContact O-N 3.08Å; G121-K124 PolarHBondContact O-N 2.8Å; G121-L125 PolarHBondContact O-N 3.49Å; G121-L125 VanDerWaalsContact O-N 3.13Å
122W89.3Confident91.4Very high150 Ų15060.1 Ų60.157%0.56829%0.29SS*.Hα-helixtrans-49.6-38.4-179.266.3-94.2000113.3K124 L125 K126 T138 I140W122-K124 PolarHBondContact O-N 3.45Å; W122-L125 WeakPolarHBondContact O-CB 3.38Å; W122-L125 PolarHBondContact O-N 2.93Å; W122-K126 PolarHBondContact O-N 3.21Å; W122-T138 PolarHBondContact O-OG1 2.68Å; W122-I140 HydrophobicContact CB-CG1 4.04Å
123K92.3Very high91.2Very high131 Ų13158 Ų5857%0.5728%0.284SS*.Hα-helixtrans-61.3-44178.2-176.7-176.4174-171.90111.8G121 K126 E127G121-K123 PolarHBondContact O-N 3Å; G121-K123 VanDerWaalsContact O-N 3.08Å; K123-K126 PolarHBondContact O-N 3.13Å; K123-E127 VanDerWaalsContact CE-OE1 3.31Å; K123-E127 WeakPolarHBondContact CE-OE1 3.31Å; K123-E127 WeakPolarHBondContact O-CG 3.43Å; K123-E127 PolarHBondContact O-N 2.88Å
124K91.5Very high91.1Very high84 Ų8461.8 Ų61.837%0.36531%0.307SS..Hα-helixtrans-72.9-33.2179.9-167.250.1169.2173.30111.6G121 W122 E127 V128G121-K124 PolarHBondContact O-N 2.8Å; W122-K124 PolarHBondContact O-N 3.45Å; K124-E127 HydrophobicContact CD-CB 4.19Å; K124-E127 WeakPolarHBondContact CD-OE2 3.37Å; K124-E127 WeakPolarHBondContact CE-OE2 3.3Å; K124-E127 IonicContact NZ-OE2 2.69Å; K124-E127 PolarHBondContact NZ-OE2 2.86Å; K124-E127 PolarHBondContact O-N 3.31Å; K124-V128 WeakPolarHBondContact O-CG2 3.26Å; K124-V128 PolarHBondContact O-N 2.95Å; K124-V128 VanDerWaalsContact O-N 3.1Å
125L92.3Very high91.2Very high0 Ų061 Ų610%030%0.3CS..Hα-helixtrans-58.8-47.6169.7-160.568.5000110.6V113 L116 V120 G121 W122 E127 V128 F129 I140 V154V113-L125 HydrophobicContact CG1-CD1 4.31Å; L116-L125 HydrophobicContact CD1-CD1 3.71Å; L116-L125 HydrophobicContact CD1-CD2 4.27Å; L116-L125 HydrophobicContact CD2-CD1 3.84Å; L116-L125 HydrophobicContact CG-CD1 4.45Å; V120-L125 HydrophobicContact CG1-CB 4.23Å; V120-L125 HydrophobicContact CG1-CD1 4.14Å; G121-L125 PolarHBondContact O-N 3.49Å; G121-L125 VanDerWaalsContact O-N 3.13Å; W122-L125 WeakPolarHBondContact O-CB 3.38Å; W122-L125 PolarHBondContact O-N 2.93Å; L125-E127 PolarHBondContact O-N 3.38Å; L125-V128 PolarHBondContact O-N 2.87Å; L125-F129 HydrophobicContact CD1-CD2 3.87Å; L125-F129 HydrophobicContact CD1-CE2 3.6Å; L125-F129 HydrophobicContact CG-CD2 3.93Å; L125-F129 HydrophobicContact CG-CE2 4.11Å; L125-F129 WeakPolarHBondContact O-CD2 3.43Å; L125-F129 PolarHBondContact O-N 2.69Å; L125-I140 HydrophobicContact CD2-CD1 3.81Å; L125-V154 HydrophobicContact CD2-CG2 3.58Å; L125-V154 HydrophobicContact CG-CG2 3.81Å
126K92.6Very high91.2Very high74 Ų7463 Ų6332%0.32231%0.31SS..Hα-helixtrans-60.3-45.1176.3-174.2158.9-175.7158.70112.7W122 K123 V128 S130 V135 T138W122-K126 PolarHBondContact O-N 3.21Å; K123-K126 PolarHBondContact O-N 3.13Å; K126-V128 PolarHBondContact O-N 3.2Å; K126-S130 VanDerWaalsContact O-CB 3.22Å; K126-S130 WeakPolarHBondContact O-CB 3.17Å; K126-S130 PolarHBondContact O-N 3.15Å; K126-V135 HydrophobicContact CD-CB 4.47Å; K126-V135 HydrophobicContact CD-CG1 4.1Å; K126-V135 WeakPolarHBondContact CE-O 3.4Å; K126-V135 HydrophobicContact CG-CB 4.13Å; K126-V135 HydrophobicContact CG-CG1 3.91Å; K126-V135 PolarHBondContact NZ-O 3.39Å; K126-T138 HydrophobicContact CB-CG2 3.64Å; K126-T138 HydrophobicContact CD-CG2 4.47Å; K126-T138 HydrophobicContact CG-CG2 4.21Å
127E91.9Very high91Very high87 Ų8766.7 Ų66.741%0.40732%0.324SS..Hα-helixtrans-58-45.5176.9-74.8170.5-156.300112.5K123 K124 L125K123-E127 VanDerWaalsContact CE-OE1 3.31Å; K123-E127 WeakPolarHBondContact CE-OE1 3.31Å; K123-E127 WeakPolarHBondContact O-CG 3.43Å; K123-E127 PolarHBondContact O-N 2.88Å; K124-E127 HydrophobicContact CD-CB 4.19Å; K124-E127 WeakPolarHBondContact CD-OE2 3.37Å; K124-E127 WeakPolarHBondContact CE-OE2 3.3Å; K124-E127 IonicContact NZ-OE2 2.69Å; K124-E127 PolarHBondContact NZ-OE2 2.86Å; K124-E127 PolarHBondContact O-N 3.31Å; L125-E127 PolarHBondContact O-N 3.38Å
128V91.6Very high91.1Very high18 Ų1866.2 Ų66.211%0.10932%0.322CS..Hα-helixtrans-67.9-50.3-179.6172.60000111K124 L125 K126 S130 M131 F169 L174K124-V128 WeakPolarHBondContact O-CG2 3.26Å; K124-V128 PolarHBondContact O-N 2.95Å; K124-V128 VanDerWaalsContact O-N 3.1Å; L125-V128 PolarHBondContact O-N 2.87Å; K126-V128 PolarHBondContact O-N 3.2Å; V128-S130 VanDerWaalsContact C-N 3.27Å; V128-S130 PolarHBondContact O-N 3.45Å; V128-M131 HydrophobicContact CG1-CE 4.43Å; V128-M131 WeakPolarHBondContact O-CG 3.38Å; V128-M131 PolarHBondContact O-N 2.86Å; V128-F169 HydrophobicContact CG1-CD1 4.06Å; V128-F169 HydrophobicContact CG1-CE1 3.65Å; V128-F169 HydrophobicContact CG1-CZ 4.02Å; V128-F169 VanDerWaalsContact O-CZ 3.26Å; V128-F169 WeakPolarHBondContact O-CZ 3.4Å; V128-L174 HydrophobicContact CG2-CD1 3.99Å
129F93.3Very high91.2Very high0 Ų061.6 Ų61.60%031%0.307CS..Hα-helixtrans-71.4-19.9-177-81.4-74000113.9I111 V113 L125 M131 A132 V135 V154 F156 A165 F169 M179 V181I111-F129 HydrophobicContact CD1-CD1 3.62Å; I111-F129 HydrophobicContact CD1-CE1 3.24Å; I111-F129 HydrophobicContact CD1-CE2 4.39Å; I111-F129 HydrophobicContact CD1-CG 4.31Å; I111-F129 HydrophobicContact CD1-CZ 3.67Å; V113-F129 HydrophobicContact CG1-CE2 4.19Å; V113-F129 HydrophobicContact CG1-CZ 4.23Å; V113-F129 HydrophobicContact CG2-CE2 3.71Å; V113-F129 HydrophobicContact CG2-CZ 3.63Å; L125-F129 HydrophobicContact CD1-CD2 3.87Å; L125-F129 HydrophobicContact CD1-CE2 3.6Å; L125-F129 HydrophobicContact CG-CD2 3.93Å; L125-F129 HydrophobicContact CG-CE2 4.11Å; L125-F129 WeakPolarHBondContact O-CD2 3.43Å; L125-F129 PolarHBondContact O-N 2.69Å; F129-M131 PolarHBondContact O-N 2.83Å; F129-A132 PolarHBondContact O-N 3.21Å; F129-V135 HydrophobicContact CB-CG2 3.98Å; F129-V154 HydrophobicContact CB-CG1 4.09Å; F129-V154 HydrophobicContact CD2-CG2 3.91Å; F129-V154 HydrophobicContact CE2-CG2 4.29Å; F129-V154 HydrophobicContact CG-CG1 4.35Å; F129-V154 HydrophobicContact CG-CG2 4.31Å; F129-F156 HydrophobicContact CB-CZ 3.95Å; F129-F156 AromaticContact CD1-CZ 3.98Å; F129-F156 HydrophobicContact CD1-CZ 3.98Å; F129-F156 HydrophobicContact CG-CZ 4.36Å; F129-A165 HydrophobicContact CD1-CB 3.84Å; F129-A165 HydrophobicContact CE1-CB 4.02Å; F129-F169 AromaticContact CD1-CD2 3.46Å; F129-F169 HydrophobicContact CD1-CD2 3.46Å; F129-F169 VanDerWaalsContact CD1-CD2 3.46Å; F129-F169 AromaticContact CD1-CE2 3.76Å; F129-F169 HydrophobicContact CD1-CE2 3.76Å; F129-F169 HydrophobicContact CD1-CG 4.32Å; F129-F169 HydrophobicContact CE1-CB 3.86Å; F129-F169 AromaticContact CE1-CD2 3.36Å; F129-F169 HydrophobicContact CE1-CD2 3.36Å; F129-F169 HydrophobicContact CE1-CE2 4.14Å; F129-F169 AromaticContact CE1-CG 3.87Å; F129-F169 HydrophobicContact CE1-CG 3.87Å; F129-F169 HydrophobicContact CG-CD2 4.45Å; F129-F169 HydrophobicContact CG-CE2 4.48Å; F129-F169 HydrophobicContact CZ-CB 4.12Å; F129-F169 HydrophobicContact CZ-CD2 4.27Å; F129-F169 HydrophobicContact CZ-CG 4.39Å; F129-M179 HydrophobicContact CD2-CE 4.46Å; F129-M179 HydrophobicContact CE1-CE 4.39Å; F129-M179 HydrophobicContact CE2-CE 3.38Å; F129-M179 HydrophobicContact CZ-CE 3.36Å; F129-V181 HydrophobicContact CE1-CG1 4.05Å; F129-V181 HydrophobicContact CE1-CG2 4.34Å; F129-V181 HydrophobicContact CZ-CG1 4.07Å; F129-V181 HydrophobicContact CZ-CG2 3.84Å
130S92.6Very high91.3Very high71 Ų7154.6 Ų54.650%0.49728%0.278SS..THydrogen-bonded Turntrans-62.9-9.2172-168.30000114.2K126 V128 G133K126-S130 VanDerWaalsContact O-CB 3.22Å; K126-S130 WeakPolarHBondContact O-CB 3.17Å; K126-S130 PolarHBondContact O-N 3.15Å; V128-S130 VanDerWaalsContact C-N 3.27Å; V128-S130 PolarHBondContact O-N 3.45Å; S130-G133 WeakPolarHBondContact CA-O 3.35Å
131M88.2Confident91.3Very high129 Ų12957.5 Ų57.564%0.63529%0.293SS*.THydrogen-bonded Turntrans-81.6-12.5172-54.6-173.1-6100113.5V128 F129 F169V128-M131 HydrophobicContact CG1-CE 4.43Å; V128-M131 WeakPolarHBondContact O-CG 3.38Å; V128-M131 PolarHBondContact O-N 2.86Å; F129-M131 PolarHBondContact O-N 2.83Å; M131-F169 HydrophobicContact CB-CZ 4.3Å; M131-F169 HydrophobicContact CE-CE1 3.78Å; M131-F169 HydrophobicContact CE-CZ 3.77Å
132A88.1Confident91.1Very high6 Ų661.4 Ų61.45%0.0530%0.301CS..THydrogen-bonded Turntrans-105.9-14.4176.500000113.9F129 Q164 A165 M168 F169F129-A132 PolarHBondContact O-N 3.21Å; A132-Q164 HydrophobicContact CB-CG 4.33Å; A132-A165 HydrophobicContact CB-CB 3.79Å; A132-M168 HydrophobicContact CB-SD 4.21Å; A132-F169 HydrophobicContact CB-CE2 3.8Å
133G89.4Confident91.1Very high14 Ų1457.6 Ų57.614%0.14429%0.292CS..SBendtrans167.2-177.4177.800000114.5S130 V135 E161S130-G133 WeakPolarHBondContact CA-O 3.35Å; G133-V135 PolarHBondContact O-N 3.24Å; G133-E161 WeakPolarHBondContact CA-OE1 3.28Å
134V91.8Very high90.8Very high78 Ų7863.1 Ų63.147%0.47331%0.309SS..  trans-76.1102.7-178.8-175.30000110.3L136 F156 E157 E161V134-L136 PolarHBondContact O-N 2.91Å; V134-F156 CarbonylContact O-C 3.53Å; V134-F156 WeakPolarHBondContact O-CA 3.44Å; V134-E157 HydrophobicContact CB-CB 4.07Å; V134-E157 HydrophobicContact CG1-CB 4.39Å; V134-E157 WeakPolarHBondContact CG1-OE2 3.41Å; V134-E157 PolarHBondContact O-N 3.05Å; V134-E161 PolarHBondContact N-OE1 3.15Å
135V94Very high90.4Very high7 Ų764.6 Ų64.64%0.04232%0.321CS..EExtended strand (participates in β ladder)trans-78.9105.7178.6178.10000110.4K126 F129 G133 T138 V154 F156K126-V135 HydrophobicContact CD-CB 4.47Å; K126-V135 HydrophobicContact CD-CG1 4.1Å; K126-V135 WeakPolarHBondContact CE-O 3.4Å; K126-V135 HydrophobicContact CG-CB 4.13Å; K126-V135 HydrophobicContact CG-CG1 3.91Å; K126-V135 PolarHBondContact NZ-O 3.39Å; F129-V135 HydrophobicContact CB-CG2 3.98Å; G133-V135 PolarHBondContact O-N 3.24Å; V135-T138 HydrophobicContact CG1-CG2 3.48Å; V135-T138 VanDerWaalsContact CG1-CG2 3.48Å; V135-V154 HydrophobicContact CB-CG1 4.47Å; V135-V154 HydrophobicContact CG1-CG1 3.69Å; V135-V154 HydrophobicContact CG2-CG1 3.98Å; V135-F156 HydrophobicContact CG2-CD1 3.99Å; V135-F156 HydrophobicContact CG2-CE1 3.55Å; V135-F156 HydrophobicContact CG2-CZ 4.12Å
136L92.3Very high90Very high93 Ų9366.9 Ų66.949%0.48735%0.345SS..EExtended strand (participates in β ladder)trans-64.5-53.1172.4-64.1-178.9000110.8V134 T155 F156 E157V134-L136 PolarHBondContact O-N 2.91Å; L136-T155 WeakPolarHBondContact CB-O 3.43Å; L136-T155 PolarHBondContact N-O 2.99Å; L136-F156 WeakPolarHBondContact CD1-O 3.24Å; L136-E157 HydrophobicContact CD1-CB 4.46Å; L136-E157 HydrophobicContact CD2-CB 4.18Å; L136-E157 HydrophobicContact CD2-CG 4.34Å; L136-E157 HydrophobicContact CG-CB 4.17Å
137R88.8Confident89.7Confident77 Ų7769.8 Ų69.829%0.29136%0.357SS..EExtended strand (participates in β ladder)trans-140.2147.8-171.2-172.7178.9175.197.27.2112.2D139 V154 T155 G486 A487R137-D139 WeakPolarHBondContact CD-OD2 3.33Å; R137-D139 IonicContact CZ-OD1 3.39Å; R137-D139 IonicContact CZ-OD2 2.72Å; R137-D139 IonicContact NE-OD1 3.59Å; R137-D139 PolarHBondContact NE-OD1 3.39Å; R137-D139 IonicContact NE-OD2 2.64Å; R137-D139 PolarHBondContact NE-OD2 2.75Å; R137-D139 IonicContact NH2-OD1 3.55Å; R137-D139 PolarHBondContact NH2-OD1 3.04Å; R137-D139 IonicContact NH2-OD2 2.69Å; R137-V154 WeakPolarHBondContact O-CA 3.36Å; R137-T155 PolarHBondContact N-O 2.9Å; R137-T155 VanDerWaalsContact N-O 3.17Å; R137-T155 PolarHBondContact O-N 2.84Å; R137-G486 VanDerWaalsContact NH1-C 3.33Å; R137-G486 PolarHBondContact NH1-O 2.91Å; R137-A487 PolarHBondContact NH1-O 3.27Å
138T93.9Very high89.5Confident15 Ų1566.7 Ų66.79%0.09235%0.345CS..EExtended strand (participates in β ladder)trans-138.6134.4169.4540000110.2W122 K126 V135 T153 V154W122-T138 PolarHBondContact O-OG1 2.68Å; K126-T138 HydrophobicContact CB-CG2 3.64Å; K126-T138 HydrophobicContact CD-CG2 4.47Å; K126-T138 HydrophobicContact CG-CG2 4.21Å; V135-T138 HydrophobicContact CG1-CG2 3.48Å; V135-T138 VanDerWaalsContact CG1-CG2 3.48Å; T138-T153 WeakPolarHBondContact CA-O 3.49Å; T138-V154 HydrophobicContact CG2-CB 4.42Å; T138-V154 HydrophobicContact CG2-CG1 4.09Å; T138-V154 HydrophobicContact CG2-CG2 4Å
139D90.8Very high89.3Confident51 Ų5171.7 Ų71.727%0.27336%0.362SS..EExtended strand (participates in β ladder)trans-127.9145.8172.4-59.6-90.2000109.6R137 G152 T153R137-D139 WeakPolarHBondContact CD-OD2 3.33Å; R137-D139 IonicContact CZ-OD1 3.39Å; R137-D139 IonicContact CZ-OD2 2.72Å; R137-D139 IonicContact NE-OD1 3.59Å; R137-D139 PolarHBondContact NE-OD1 3.39Å; R137-D139 IonicContact NE-OD2 2.64Å; R137-D139 PolarHBondContact NE-OD2 2.75Å; R137-D139 IonicContact NH2-OD1 3.55Å; R137-D139 PolarHBondContact NH2-OD1 3.04Å; R137-D139 IonicContact NH2-OD2 2.69Å; D139-G152 CarbonylContact O-C 3.5Å; D139-G152 WeakPolarHBondContact O-CA 3.38Å; D139-T153 PolarHBondContact N-O 3.1Å; D139-T153 PolarHBondContact O-N 2.93Å
140I92.6Very high89.1Confident23 Ų2371.8 Ų71.812%0.11836%0.363CS..EExtended strand (participates in β ladder)trans-102.4137164.7-63.6-58.7000107.5L116 W122 L125 E142 S148L116-I140 HydrophobicContact CD1-CD1 4.14Å; W122-I140 HydrophobicContact CB-CG1 4.04Å; L125-I140 HydrophobicContact CD2-CD1 3.81Å; I140-E142 HydrophobicContact CG2-CG 4.04Å; I140-E142 PolarHBondContact O-N 2.81Å; I140-S148 WeakPolarHBondContact CG2-OG 3.27Å
141L88.6Confident89Confident62 Ų6270.7 Ų70.733%0.32535%0.35SS..EExtended strand (participates in β ladder)trans-81.2102.1170.8-79.473.6000107.6F112 R149 M151 T153F112-L141 HydrophobicContact CE2-CD2 4.4Å; L141-R149 VanDerWaalsContact O-CB 3.24Å; L141-R149 WeakPolarHBondContact O-CB 3.24Å; L141-R149 VanDerWaalsContact O-CG 3.27Å; L141-R149 WeakPolarHBondContact O-CG 3.36Å; L141-R149 PolarHBondContact O-N 3.48Å; L141-M151 HydrophobicContact CB-CB 4.22Å; L141-M151 PolarHBondContact N-O 2.73Å; L141-T153 HydrophobicContact CD1-CG2 4.5Å
142E88.1Confident89.3Confident120 Ų12064.5 Ų64.556%0.56132%0.32SS*.EExtended strand (participates in β ladder)trans-89.5154.2174.9-64.6173162.300110.4I140 K147I140-E142 HydrophobicContact CG2-CG 4.04Å; I140-E142 PolarHBondContact O-N 2.81Å; E142-K147 CarbonylContact C-O 3.52Å; E142-K147 WeakPolarHBondContact CA-O 3.2Å
143D88.9Confident89.5Confident70 Ų7065.4 Ų65.437%0.37433%0.325SS..  trans-86.1177.4174.3-141.7-68.5000111.1D145 G146 K147 R149D143-D145 PolarHBondContact O-N 3.04Å; D143-G146 PolarHBondContact O-N 3.34Å; D143-K147 PolarHBondContact N-O 2.81Å; D143-R149 HydrophobicContact CB-CG 3.78Å; D143-R149 WeakPolarHBondContact OD2-CD 3.1Å; D143-R149 IonicContact OD2-CZ 2.76Å; D143-R149 IonicContact OD2-NE 3.97Å; D143-R149 PolarHBondContact OD2-NE 3.05Å; D143-R149 IonicContact OD2-NH2 3.51Å
144R85.3Confident89.8Confident247 Ų24764.8 Ų64.893%0.93232%0.318SS*.THydrogen-bonded Turntrans-60.4-27.7-179.5-66.1-178.2174.8-175.8-1.6113G146R144-G146 PolarHBondContact O-N 3.31Å
145D83.9Confident89.8Confident115 Ų11562.6 Ų62.662%0.61531%0.305SS*.THydrogen-bonded Turntrans-74.90.7171.9-74.9-125000114.8D143 K147D143-D145 PolarHBondContact O-N 3.04Å; D145-K147 HydrophobicContact CB-CD 3.87Å; D145-K147 HydrophobicContact CB-CG 4.11Å; D145-K147 PolarHBondContact O-N 3.11Å; D145-K147 IonicContact OD1-NZ 2.68Å; D145-K147 PolarHBondContact OD1-NZ 2.94Å
146G83.1Confident89.8Confident48 Ų4862.2 Ų62.250%0.49530%0.303SS..SBendtrans70.112.7-173.300000114.4D143 R144D143-G146 PolarHBondContact O-N 3.34Å; R144-G146 PolarHBondContact O-N 3.31Å
147K86.4Confident89.6Confident134 Ų13463.5 Ų63.558%0.58331%0.306SS*.  trans-88.6131.4177.5-66.1164.2-171.71470109.5E142 D143 D145 R149E142-K147 CarbonylContact C-O 3.52Å; E142-K147 WeakPolarHBondContact CA-O 3.2Å; D143-K147 PolarHBondContact N-O 2.81Å; D145-K147 HydrophobicContact CB-CD 3.87Å; D145-K147 HydrophobicContact CB-CG 4.11Å; D145-K147 PolarHBondContact O-N 3.11Å; D145-K147 IonicContact OD1-NZ 2.68Å; D145-K147 PolarHBondContact OD1-NZ 2.94Å; K147-R149 PolarHBondContact O-N 3.26Å
148S88.9Confident89.5Confident22 Ų2264.4 Ų64.415%0.15432%0.315CS..EExtended strand (participates in β ladder)trans-52.9131.7171.9172.10000111Y118 I140 G150Y118-S148 WeakPolarHBondContact CD1-O 3.3Å; I140-S148 WeakPolarHBondContact CG2-OG 3.27Å; S148-G150 PolarHBondContact O-N 2.75Å; S148-G150 PolarHBondContact OG-N 3.09Å
149R87.3Confident89.2Confident124 Ų12465.3 Ų65.347%0.46832%0.321SS..EExtended strand (participates in β ladder)trans-85.610.3176.7-54.7177.983.3-143.3-4.3112.6L141 D143 K147 M151L141-R149 VanDerWaalsContact O-CB 3.24Å; L141-R149 WeakPolarHBondContact O-CB 3.24Å; L141-R149 VanDerWaalsContact O-CG 3.27Å; L141-R149 WeakPolarHBondContact O-CG 3.36Å; L141-R149 PolarHBondContact O-N 3.48Å; D143-R149 HydrophobicContact CB-CG 3.78Å; D143-R149 WeakPolarHBondContact OD2-CD 3.1Å; D143-R149 IonicContact OD2-CZ 2.76Å; D143-R149 IonicContact OD2-NE 3.97Å; D143-R149 PolarHBondContact OD2-NE 3.05Å; D143-R149 IonicContact OD2-NH2 3.51Å; K147-R149 PolarHBondContact O-N 3.26Å; R149-M151 VanDerWaalsContact C-N 3.26Å; R149-M151 HydrophobicContact CB-CE 3.6Å; R149-M151 PolarHBondContact O-N 2.92Å
150G88.4Confident89Confident1 Ų163.8 Ų63.81%0.0131%0.313CS..EExtended strand (participates in β ladder)trans67.526.8-173.800000113.2A114 N115 L116 S148A114-G150 CarbonylContact C-O 3.54Å; N115-G150 PolarHBondContact N-O 3.1Å; L116-G150 PolarHBondContact N-O 2.9Å; L116-G150 VanDerWaalsContact O-CA 3.29Å; L116-G150 WeakPolarHBondContact O-CA 3.2Å; S148-G150 PolarHBondContact O-N 2.75Å; S148-G150 PolarHBondContact OG-N 3.09Å
151M91.5Very high88.9Confident48 Ų4863.3 Ų63.324%0.23631%0.31CS..EExtended strand (participates in β ladder)trans-138.3151.8-178.1-67.3177.5-72.100110.4F112 V113 A114 L141 R149F112-M151 HydrophobicContact CE2-CB 4.26Å; F112-M151 HydrophobicContact CZ-CB 4.03Å; F112-M151 HydrophobicContact CZ-CG 4.02Å; F112-M151 HydrophobicContact CZ-SD 3.88Å; V113-M151 CarbonylContact O-C 3.55Å; V113-M151 VanDerWaalsContact O-CA 3.24Å; V113-M151 WeakPolarHBondContact O-CA 3.35Å; A114-M151 HydrophobicContact CB-CG 4.28Å; L141-M151 HydrophobicContact CB-CB 4.22Å; L141-M151 PolarHBondContact N-O 2.73Å; R149-M151 VanDerWaalsContact C-N 3.26Å; R149-M151 HydrophobicContact CB-CE 3.6Å; R149-M151 PolarHBondContact O-N 2.92Å
152G92.9Very high88.9Confident0 Ų060.4 Ų60.40%030%0.295CS..EExtended strand (participates in β ladder)trans-163.3168.6179.600000113F112 V113 D139F112-G152 WeakPolarHBondContact CD2-O 3.33Å; V113-G152 PolarHBondContact N-O 2.87Å; V113-G152 PolarHBondContact O-N 3.27Å; D139-G152 CarbonylContact O-C 3.5Å; D139-G152 WeakPolarHBondContact O-CA 3.38Å
153T93.4Very high88.9Confident25 Ų2554.8 Ų54.815%0.15327%0.269CS..EExtended strand (participates in β ladder)trans-122.6140.1173.4460000110.3I111 F112 T138 D139 L141I111-T153 WeakPolarHBondContact O-CA 3.42Å; F112-T153 HydrophobicContact CD2-CG2 3.96Å; T138-T153 WeakPolarHBondContact CA-O 3.49Å; D139-T153 PolarHBondContact N-O 3.1Å; D139-T153 PolarHBondContact O-N 2.93Å; L141-T153 HydrophobicContact CD1-CG2 4.5Å
154V94.4Very high88.8Confident0 Ų054.4 Ų54.40%027%0.265CS..EExtended strand (participates in β ladder)trans-126.3126.6176.5179.50000108T110 I111 V113 L125 F129 V135 R137 T138 F156T110-V154 CarbonylContact C-O 3.58Å; T110-V154 WeakPolarHBondContact CA-O 3.46Å; I111-V154 HydrophobicContact CD1-CB 3.96Å; I111-V154 HydrophobicContact CD1-CG1 4.48Å; I111-V154 HydrophobicContact CD1-CG2 4.42Å; I111-V154 HydrophobicContact CG1-CB 3.65Å; I111-V154 HydrophobicContact CG1-CG1 4.42Å; I111-V154 HydrophobicContact CG1-CG2 4.43Å; I111-V154 WeakPolarHBondContact CG1-O 3.47Å; I111-V154 PolarHBondContact N-O 3.37Å; I111-V154 PolarHBondContact O-N 2.94Å; V113-V154 HydrophobicContact CG2-CG2 4.2Å; L125-V154 HydrophobicContact CD2-CG2 3.58Å; L125-V154 HydrophobicContact CG-CG2 3.81Å; F129-V154 HydrophobicContact CB-CG1 4.09Å; F129-V154 HydrophobicContact CD2-CG2 3.91Å; F129-V154 HydrophobicContact CE2-CG2 4.29Å; F129-V154 HydrophobicContact CG-CG1 4.35Å; F129-V154 HydrophobicContact CG-CG2 4.31Å; V135-V154 HydrophobicContact CB-CG1 4.47Å; V135-V154 HydrophobicContact CG1-CG1 3.69Å; V135-V154 HydrophobicContact CG2-CG1 3.98Å; R137-V154 WeakPolarHBondContact O-CA 3.36Å; T138-V154 HydrophobicContact CG2-CB 4.42Å; T138-V154 HydrophobicContact CG2-CG1 4.09Å; T138-V154 HydrophobicContact CG2-CG2 4Å; V154-F156 HydrophobicContact CG1-CD2 4.32Å; V154-F156 HydrophobicContact CG1-CE2 3.84Å; V154-F156 HydrophobicContact CG1-CZ 4.04Å
155T92.7Very high89.1Confident32 Ų3242.7 Ų42.720%0.19622%0.22CC..EExtended strand (participates in β ladder)trans-111.7121.1176.9-57.30000109.1T110 L136 R137T110-T155 PolarHBondContact OG1-OG1 2.81Å; L136-T155 WeakPolarHBondContact CB-O 3.43Å; L136-T155 PolarHBondContact N-O 2.99Å; R137-T155 PolarHBondContact N-O 2.9Å; R137-T155 VanDerWaalsContact N-O 3.17Å; R137-T155 PolarHBondContact O-N 2.84Å
156F93.5Very high89.3Confident0 Ų038 Ų380%020%0.196CC..EExtended strand (participates in β ladder)trans-88.3168.9175.2-69.9-85.5000112S109 I111 F129 V134 V135 L136 V154 E161 A162 A165S109-F156 WeakPolarHBondContact CB-O 3.26Å; S109-F156 PolarHBondContact O-N 3.25Å; S109-F156 PolarHBondContact OG-O 2.73Å; I111-F156 HydrophobicContact CD1-CE2 3.75Å; I111-F156 HydrophobicContact CD1-CZ 4.44Å; I111-F156 HydrophobicContact CG1-CE2 3.98Å; I111-F156 HydrophobicContact CG2-CE2 4.44Å; F129-F156 HydrophobicContact CB-CZ 3.95Å; F129-F156 AromaticContact CD1-CZ 3.98Å; F129-F156 HydrophobicContact CD1-CZ 3.98Å; F129-F156 HydrophobicContact CG-CZ 4.36Å; V134-F156 CarbonylContact O-C 3.53Å; V134-F156 WeakPolarHBondContact O-CA 3.44Å; V135-F156 HydrophobicContact CG2-CD1 3.99Å; V135-F156 HydrophobicContact CG2-CE1 3.55Å; V135-F156 HydrophobicContact CG2-CZ 4.12Å; L136-F156 WeakPolarHBondContact CD1-O 3.24Å; V154-F156 HydrophobicContact CG1-CD2 4.32Å; V154-F156 HydrophobicContact CG1-CE2 3.84Å; V154-F156 HydrophobicContact CG1-CZ 4.04Å; F156-E161 HydrophobicContact CB-CB 3.93Å; F156-E161 HydrophobicContact CD1-CB 3.7Å; F156-E161 HydrophobicContact CE1-CB 4.39Å; F156-E161 HydrophobicContact CG-CB 3.87Å; F156-A162 HydrophobicContact CD2-CB 3.91Å; F156-A165 HydrophobicContact CE1-CB 4.47Å; F156-A165 HydrophobicContact CE2-CB 3.61Å; F156-A165 HydrophobicContact CZ-CB 3.48Å; F156-A165 VanDerWaalsContact CZ-CB 3.48Å
157E89.3Confident89.4Confident120 Ų12036.8 Ų36.856%0.56118%0.18SC*.SBendtrans-74.7-42173.4-167.3168.3152.700111V134 L136 E161V134-E157 HydrophobicContact CB-CB 4.07Å; V134-E157 HydrophobicContact CG1-CB 4.39Å; V134-E157 WeakPolarHBondContact CG1-OE2 3.41Å; V134-E157 PolarHBondContact O-N 3.05Å; L136-E157 HydrophobicContact CD1-CB 4.46Å; L136-E157 HydrophobicContact CD2-CB 4.18Å; L136-E157 HydrophobicContact CD2-CG 4.34Å; L136-E157 HydrophobicContact CG-CB 4.17Å; E157-E161 PolarHBondContact N-OE2 3.39Å
158M86.7Confident89.4Confident95 Ų9534.2 Ų34.247%0.46817%0.171SC..SBendtrans-116.2146.9178.9-58.5-175.4-7300112.4I160 E161M158-I160 VanDerWaalsContact C-N 3.25Å; M158-I160 HydrophobicContact CB-CG2 3.9Å; M158-I160 HydrophobicContact CE-CG2 4.27Å; M158-I160 PolarHBondContact O-N 3.11Å; M158-I160 HydrophobicContact SD-CG2 4.44Å; M158-E161 HydrophobicContact CB-CG 4.1Å; M158-E161 HydrophobicContact CE-CG 4Å; M158-E161 PolarHBondContact N-OE2 3.26Å; M158-E161 WeakPolarHBondContact O-CB 3.29Å; M158-E161 PolarHBondContact O-N 2.92Å
159P86.1Confident89.5Confident34 Ų3433.9 Ų33.922%0.22117%0.167CC..Hα-helixtrans-69.5-23.3177.929.9-35.9000113.1L102 I107 E161 A162 V163L102-P159 HydrophobicContact CD2-CB 3.87Å; L102-P159 HydrophobicContact CD2-CG 4.21Å; L102-P159 WeakPolarHBondContact CD2-O 3.39Å; I107-P159 HydrophobicContact CG2-CB 4.47Å; I107-P159 WeakPolarHBondContact O-CB 3.44Å; P159-E161 VanDerWaalsContact C-N 3.29Å; P159-E161 PolarHBondContact O-N 2.91Å; P159-A162 WeakPolarHBondContact O-CB 3.09Å; P159-A162 PolarHBondContact O-N 2.92Å; P159-V163 PolarHBondContact O-N 2.88Å; P159-V163 VanDerWaalsContact O-N 3.15Å
160I86.2Confident89.6Confident19 Ų1931.5 Ų31.510%0.09716%0.163CC..Hα-helixtrans-63.2-36.3174.7-163.263.5000111.9V82 I84 L88 L102 M158 V163 Q164V82-I160 HydrophobicContact CG1-CB 4.36Å; I84-I160 HydrophobicContact CB-CD1 4.43Å; I84-I160 HydrophobicContact CG1-CD1 4.01Å; I84-I160 HydrophobicContact CG2-CD1 4.23Å; L88-I160 HydrophobicContact CD1-CD1 3.52Å; L88-I160 HydrophobicContact CD1-CG1 3.74Å; L102-I160 HydrophobicContact CD1-CD1 3.64Å; L102-I160 HydrophobicContact CD2-CD1 4.33Å; M158-I160 VanDerWaalsContact C-N 3.25Å; M158-I160 HydrophobicContact CB-CG2 3.9Å; M158-I160 HydrophobicContact CE-CG2 4.27Å; M158-I160 PolarHBondContact O-N 3.11Å; M158-I160 HydrophobicContact SD-CG2 4.44Å; I160-V163 PolarHBondContact O-N 3.29Å; I160-Q164 WeakPolarHBondContact O-CB 3.37Å; I160-Q164 PolarHBondContact O-N 3.46Å
161E90.8Very high89.6Confident14 Ų1433.3 Ų33.37%0.06518%0.182CC..Hα-helixtrans-69-38.2176.6-59.8173.4127.100111.3G133 V134 F156 E157 M158 P159 Q164 A165G133-E161 WeakPolarHBondContact CA-OE1 3.28Å; V134-E161 PolarHBondContact N-OE1 3.15Å; F156-E161 HydrophobicContact CB-CB 3.93Å; F156-E161 HydrophobicContact CD1-CB 3.7Å; F156-E161 HydrophobicContact CE1-CB 4.39Å; F156-E161 HydrophobicContact CG-CB 3.87Å; E157-E161 PolarHBondContact N-OE2 3.39Å; M158-E161 HydrophobicContact CB-CG 4.1Å; M158-E161 HydrophobicContact CE-CG 4Å; M158-E161 PolarHBondContact N-OE2 3.26Å; M158-E161 WeakPolarHBondContact O-CB 3.29Å; M158-E161 PolarHBondContact O-N 2.92Å; P159-E161 VanDerWaalsContact C-N 3.29Å; P159-E161 PolarHBondContact O-N 2.91Å; E161-Q164 PolarHBondContact O-N 2.72Å; E161-A165 WeakPolarHBondContact O-CB 3.4Å; E161-A165 PolarHBondContact O-N 3.12Å
162A89.3Confident89.5Confident0 Ų036 Ų360%019%0.194CC..Hα-helixtrans-61.4-43.5174.800000111.8I111 F156 P159 A165 V166 L183I111-A162 HydrophobicContact CG2-CB 3.76Å; I111-A162 WeakPolarHBondContact CG2-O 3.4Å; F156-A162 HydrophobicContact CD2-CB 3.91Å; P159-A162 WeakPolarHBondContact O-CB 3.09Å; P159-A162 PolarHBondContact O-N 2.92Å; A162-A165 PolarHBondContact O-N 2.8Å; A162-V166 WeakPolarHBondContact O-CG2 3.42Å; A162-V166 PolarHBondContact O-N 2.8Å; A162-L183 HydrophobicContact CB-CD2 4.3Å
163V87.8Confident89.3Confident2 Ų242 Ų421%0.01223%0.225CC..Hα-helixtrans-70.3-39.9176.9170.90000111.9I94 I98 L102 I107 P159 I160 A165 V166 S167 L183I94-V163 HydrophobicContact CD1-CG1 3.72Å; I94-V163 HydrophobicContact CG1-CG1 4.25Å; I94-V163 HydrophobicContact CG2-CG1 3.88Å; I98-V163 HydrophobicContact CG2-CB 4.24Å; I98-V163 HydrophobicContact CG2-CG1 3.71Å; I98-V163 HydrophobicContact CG2-CG2 3.43Å; I98-V163 VanDerWaalsContact CG2-CG2 3.43Å; L102-V163 HydrophobicContact CD1-CB 3.93Å; L102-V163 HydrophobicContact CD1-CG1 3.91Å; L102-V163 HydrophobicContact CD1-CG2 3.8Å; L102-V163 HydrophobicContact CD2-CG2 3.94Å; L102-V163 HydrophobicContact CG-CG2 3.97Å; I107-V163 HydrophobicContact CG2-CG2 4.49Å; P159-V163 PolarHBondContact O-N 2.88Å; P159-V163 VanDerWaalsContact O-N 3.15Å; I160-V163 PolarHBondContact O-N 3.29Å; V163-A165 VanDerWaalsContact C-N 3.34Å; V163-A165 PolarHBondContact O-N 2.72Å; V163-V166 PolarHBondContact O-N 3.33Å; V163-S167 PolarHBondContact O-N 3.22Å; V163-S167 VanDerWaalsContact O-N 3.07Å; V163-L183 HydrophobicContact CG2-CD1 4.41Å; V163-L183 HydrophobicContact CG2-CD2 4.04Å
164Q87.3Confident89.1Confident63 Ų6341.9 Ų41.929%0.29422%0.224SC..Hα-helixtrans-59.4-44.5171.2179.2171.7-26.400111.6L88 A132 I160 E161 S167 M168L88-Q164 HydrophobicContact CD1-CB 4.2Å; L88-Q164 HydrophobicContact CD2-CB 3.96Å; L88-Q164 HydrophobicContact CD2-CG 4.29Å; A132-Q164 HydrophobicContact CB-CG 4.33Å; I160-Q164 WeakPolarHBondContact O-CB 3.37Å; I160-Q164 PolarHBondContact O-N 3.46Å; E161-Q164 PolarHBondContact O-N 2.72Å; Q164-S167 PolarHBondContact O-N 2.92Å; Q164-M168 HydrophobicContact CG-CG 4.26Å; Q164-M168 HydrophobicContact CG-SD 3.56Å; Q164-M168 VanDerWaalsContact CG-SD 3.56Å; Q164-M168 WeakPolarHBondContact O-CB 3.46Å; Q164-M168 WeakPolarHBondContact O-CG 3.24Å; Q164-M168 PolarHBondContact O-N 2.68Å
165A90.4Very high88.7Confident0 Ų047 Ų470%025%0.246CC..Hα-helixtrans-62.7-41.1176.800000112.8I111 F129 A132 F156 E161 A162 V163 M168 F169I111-A165 HydrophobicContact CD1-CB 4.12Å; F129-A165 HydrophobicContact CD1-CB 3.84Å; F129-A165 HydrophobicContact CE1-CB 4.02Å; A132-A165 HydrophobicContact CB-CB 3.79Å; F156-A165 HydrophobicContact CE1-CB 4.47Å; F156-A165 HydrophobicContact CE2-CB 3.61Å; F156-A165 HydrophobicContact CZ-CB 3.48Å; F156-A165 VanDerWaalsContact CZ-CB 3.48Å; E161-A165 WeakPolarHBondContact O-CB 3.4Å; E161-A165 PolarHBondContact O-N 3.12Å; A162-A165 PolarHBondContact O-N 2.8Å; V163-A165 VanDerWaalsContact C-N 3.34Å; V163-A165 PolarHBondContact O-N 2.72Å; A165-M168 PolarHBondContact O-N 3.12Å; A165-F169 HydrophobicContact CB-CD2 4.3Å; A165-F169 WeakPolarHBondContact O-CB 3.38Å; A165-F169 WeakPolarHBondContact O-CD2 3.48Å; A165-F169 PolarHBondContact O-N 2.98Å
166V89.4Confident88.5Confident17 Ų1752.8 Ų52.810%0.10328%0.276CS..Hα-helixtrans-56.2-51.9171.4168.80000110.1I111 A162 V163 M168 N170 V181 L183I111-V166 HydrophobicContact CG2-CG2 3.82Å; A162-V166 WeakPolarHBondContact O-CG2 3.42Å; A162-V166 PolarHBondContact O-N 2.8Å; V163-V166 PolarHBondContact O-N 3.33Å; V166-M168 PolarHBondContact O-N 2.93Å; V166-N170 WeakPolarHBondContact O-CB 3.33Å; V166-N170 PolarHBondContact O-N 3.18Å; V166-V181 HydrophobicContact CB-CG1 4.48Å; V166-V181 HydrophobicContact CG2-CG1 4.03Å; V166-L183 HydrophobicContact CG2-CD2 4.22Å; V166-L183 HydrophobicContact CG2-CG 4.4Å
167S85.5Confident88.3Confident22 Ų2255.5 Ų55.515%0.15429%0.286CS..Hα-helixtrans-69.9-31-177.3-178.70000114.6N91 V163 Q164N91-S167 VanDerWaalsContact CG-OG 3.28Å; N91-S167 PolarHBondContact ND2-OG 3.06Å; N91-S167 PolarHBondContact OD1-OG 3.15Å; V163-S167 PolarHBondContact O-N 3.22Å; V163-S167 VanDerWaalsContact O-N 3.07Å; Q164-S167 PolarHBondContact O-N 2.92Å
168M86.3Confident88.4Confident81 Ų8152.4 Ų52.440%0.39928%0.275SS..Hα-helixtrans-80.4-32.9-178.6-72.9178.265.800112.6A132 Q164 A165 V166 Q172A132-M168 HydrophobicContact CB-SD 4.21Å; Q164-M168 HydrophobicContact CG-CG 4.26Å; Q164-M168 HydrophobicContact CG-SD 3.56Å; Q164-M168 VanDerWaalsContact CG-SD 3.56Å; Q164-M168 WeakPolarHBondContact O-CB 3.46Å; Q164-M168 WeakPolarHBondContact O-CG 3.24Å; Q164-M168 PolarHBondContact O-N 2.68Å; A165-M168 PolarHBondContact O-N 3.12Å; V166-M168 PolarHBondContact O-N 2.93Å; M168-Q172 VanDerWaalsContact O-CG 3.24Å; M168-Q172 WeakPolarHBondContact O-CG 3.27Å; M168-Q172 PolarHBondContact O-NE2 2.82Å
169F90.6Very high88.7Confident15 Ų1548 Ų487%0.06625%0.254CS..Hα-helixtrans-113.8-15.6-169-61.9-64000115.4V128 F129 M131 A132 A165 G171 Q172 M179 V181V128-F169 HydrophobicContact CG1-CD1 4.06Å; V128-F169 HydrophobicContact CG1-CE1 3.65Å; V128-F169 HydrophobicContact CG1-CZ 4.02Å; V128-F169 VanDerWaalsContact O-CZ 3.26Å; V128-F169 WeakPolarHBondContact O-CZ 3.4Å; F129-F169 AromaticContact CD1-CD2 3.46Å; F129-F169 HydrophobicContact CD1-CD2 3.46Å; F129-F169 VanDerWaalsContact CD1-CD2 3.46Å; F129-F169 AromaticContact CD1-CE2 3.76Å; F129-F169 HydrophobicContact CD1-CE2 3.76Å; F129-F169 HydrophobicContact CD1-CG 4.32Å; F129-F169 HydrophobicContact CE1-CB 3.86Å; F129-F169 AromaticContact CE1-CD2 3.36Å; F129-F169 HydrophobicContact CE1-CD2 3.36Å; F129-F169 HydrophobicContact CE1-CE2 4.14Å; F129-F169 AromaticContact CE1-CG 3.87Å; F129-F169 HydrophobicContact CE1-CG 3.87Å; F129-F169 HydrophobicContact CG-CD2 4.45Å; F129-F169 HydrophobicContact CG-CE2 4.48Å; F129-F169 HydrophobicContact CZ-CB 4.12Å; F129-F169 HydrophobicContact CZ-CD2 4.27Å; F129-F169 HydrophobicContact CZ-CG 4.39Å; M131-F169 HydrophobicContact CB-CZ 4.3Å; M131-F169 HydrophobicContact CE-CE1 3.78Å; M131-F169 HydrophobicContact CE-CZ 3.77Å; A132-F169 HydrophobicContact CB-CE2 3.8Å; A165-F169 HydrophobicContact CB-CD2 4.3Å; A165-F169 WeakPolarHBondContact O-CB 3.38Å; A165-F169 WeakPolarHBondContact O-CD2 3.48Å; A165-F169 PolarHBondContact O-N 2.98Å; F169-G171 PolarHBondContact O-N 3.26Å; F169-Q172 WeakPolarHBondContact O-CB 3.39Å; F169-Q172 PolarHBondContact O-N 2.83Å; F169-Q172 VanDerWaalsContact O-N 3.09Å; F169-M179 HydrophobicContact CB-CE 4.06Å; F169-M179 HydrophobicContact CB-SD 4.29Å; F169-M179 VanDerWaalsContact O-CG 3.23Å; F169-M179 WeakPolarHBondContact O-CG 3.41Å; F169-V181 HydrophobicContact CB-CG2 3.82Å
170N89.8Confident88.9Confident74 Ų7450.6 Ų50.640%0.39626%0.262SS..THydrogen-bonded Turntrans-63.4121.6175.4-178.344.4000111.2V166 Q172 V181V166-N170 WeakPolarHBondContact O-CB 3.33Å; V166-N170 PolarHBondContact O-N 3.18Å; N170-Q172 VanDerWaalsContact C-N 3.34Å; N170-V181 HydrophobicContact CB-CB 4.04Å; N170-V181 PolarHBondContact OD1-N 2.85Å; N170-V181 VanDerWaalsContact OD1-N 3.14Å; N170-V181 PolarHBondContact OD1-O 2.87Å
171G87.3Confident89.2Confident38 Ų3849.7 Ų49.739%0.39226%0.258SS..THydrogen-bonded Turntrans86.3-5.8-176.900000114.9F169 M179F169-G171 PolarHBondContact O-N 3.26Å; G171-M179 WeakPolarHBondContact CA-O 3.19Å; G171-M179 PolarHBondContact N-O 3.4Å
172Q89.3Confident89.1Confident106 Ų10655.6 Ų55.650%0.49528%0.283SS..  trans-68.1149.3-179.6-73.1-66.1-3.900112.6M168 F169 N170 T178 M179M168-Q172 VanDerWaalsContact O-CG 3.24Å; M168-Q172 WeakPolarHBondContact O-CG 3.27Å; M168-Q172 PolarHBondContact O-NE2 2.82Å; F169-Q172 WeakPolarHBondContact O-CB 3.39Å; F169-Q172 PolarHBondContact O-N 2.83Å; F169-Q172 VanDerWaalsContact O-N 3.09Å; N170-Q172 VanDerWaalsContact C-N 3.34Å; Q172-T178 CarbonylContact O-C 3.5Å; Q172-T178 VanDerWaalsContact O-CA 3.3Å; Q172-T178 WeakPolarHBondContact O-CA 3.37Å; Q172-M179 HydrophobicContact CB-CG 4.26Å; Q172-M179 HydrophobicContact CB-SD 4.23Å; Q172-M179 WeakPolarHBondContact O-CG 3.4Å; Q172-M179 PolarHBondContact O-N 2.73Å
173L89.9Confident89.1Confident125 Ų12556.3 Ų56.365%0.65429%0.287SS*.EExtended strand (participates in β ladder)trans-81.1119.8173.4-72.3167000110.6T178L173-T178 HydrophobicContact CD2-CG2 3.65Å; L173-T178 HydrophobicContact CG-CG2 4.26Å
174L88Confident88.8Confident23 Ų2356.8 Ų56.812%0.1229%0.29CS..EExtended strand (participates in β ladder)trans-119.6114.1170.6-173.461.3000109L116 V120 V128 N176 R177 M179L116-L174 HydrophobicContact CD2-CD2 4Å; V120-L174 HydrophobicContact CG1-CD2 4.12Å; V120-L174 HydrophobicContact CG2-CD2 3.76Å; V120-L174 HydrophobicContact CG2-CG 4.08Å; V128-L174 HydrophobicContact CG2-CD1 3.99Å; L174-N176 PolarHBondContact O-N 3.23Å; L174-R177 PolarHBondContact N-O 2.85Å; L174-R177 PolarHBondContact O-N 2.84Å; L174-M179 HydrophobicContact CB-SD 3.89Å; L174-M179 HydrophobicContact CD2-CE 4.34Å; L174-M179 HydrophobicContact CD2-SD 4.14Å
175F86.5Confident87.7Confident107 Ų10761.7 Ų61.747%0.46931%0.312SS..THydrogen-bonded Turntrans52.8-121.5-158-57.1-83.4000109.9D117 V120D117-F175 HydrophobicContact CB-CB 4.15Å; D117-F175 HydrophobicContact CB-CD2 4.21Å; V120-F175 HydrophobicContact CG2-CD2 3.73Å; V120-F175 HydrophobicContact CG2-CE2 3.74Å
176N87.8Confident86.4Confident153 Ų15370.2 Ų70.282%0.81835%0.35SS*.THydrogen-bonded Turntrans-106.219.1-175.2-67.514.2000113.3L174L174-N176 PolarHBondContact O-N 3.23Å
177R89.7Confident84.8Confident58 Ų5869.8 Ų69.822%0.21935%0.347CS..EExtended strand (participates in β ladder)trans-132.6144.6-179.6-68171.772.4169.82.7111.7N115 L116 Y118 L174 M179N115-R177 WeakPolarHBondContact O-CB 3.4Å; N115-R177 PolarHBondContact O-NE 3.01Å; N115-R177 PolarHBondContact OD1-NE 3.34Å; N115-R177 VanDerWaalsContact OD1-NE 3.09Å; N115-R177 PolarHBondContact OD1-NH2 2.77Å; L116-R177 VanDerWaalsContact O-CZ 3.26Å; L116-R177 PolarHBondContact O-NH1 2.89Å; Y118-R177 VanDerWaalsContact CE2-NH1 3.3Å; L174-R177 PolarHBondContact N-O 2.85Å; L174-R177 PolarHBondContact O-N 2.84Å; R177-M179 PolarHBondContact O-N 2.87Å
178T91.3Very high83.4Confident55 Ų5571 Ų7134%0.33735%0.352SS..EExtended strand (participates in β ladder)trans-77.4111173.242.60000110.3N115 Q172 L173N115-T178 WeakPolarHBondContact CB-O 3.43Å; N115-T178 PolarHBondContact ND2-O 3.06Å; N115-T178 PolarHBondContact ND2-OG1 3.31Å; Q172-T178 CarbonylContact O-C 3.5Å; Q172-T178 VanDerWaalsContact O-CA 3.3Å; Q172-T178 WeakPolarHBondContact O-CA 3.37Å; L173-T178 HydrophobicContact CD2-CG2 3.65Å; L173-T178 HydrophobicContact CG-CG2 4.26Å
179M92.8Very high81.7Confident3 Ų368.6 Ų68.62%0.01534%0.342CS..  trans-72.6129176.169.1-160.8-73.800110.2V113 L116 F129 F169 G171 Q172 L174 R177 V181V113-M179 HydrophobicContact CG1-CB 4.47Å; V113-M179 HydrophobicContact CG1-CE 4.1Å; L116-M179 HydrophobicContact CD2-CB 4.09Å; L116-M179 HydrophobicContact CD2-CE 4.45Å; F129-M179 HydrophobicContact CD2-CE 4.46Å; F129-M179 HydrophobicContact CE1-CE 4.39Å; F129-M179 HydrophobicContact CE2-CE 3.38Å; F129-M179 HydrophobicContact CZ-CE 3.36Å; F169-M179 HydrophobicContact CB-CE 4.06Å; F169-M179 HydrophobicContact CB-SD 4.29Å; F169-M179 VanDerWaalsContact O-CG 3.23Å; F169-M179 WeakPolarHBondContact O-CG 3.41Å; G171-M179 WeakPolarHBondContact CA-O 3.19Å; G171-M179 PolarHBondContact N-O 3.4Å; Q172-M179 HydrophobicContact CB-CG 4.26Å; Q172-M179 HydrophobicContact CB-SD 4.23Å; Q172-M179 WeakPolarHBondContact O-CG 3.4Å; Q172-M179 PolarHBondContact O-N 2.73Å; L174-M179 HydrophobicContact CB-SD 3.89Å; L174-M179 HydrophobicContact CD2-CE 4.34Å; L174-M179 HydrophobicContact CD2-SD 4.14Å; R177-M179 PolarHBondContact O-N 2.87Å; M179-V181 HydrophobicContact CE-CG2 4.1Å; M179-V181 HydrophobicContact CG-CG2 4.18Å
180H91.4Very high79.9Confident87 Ų8776.8 Ų76.840%0.40338%0.378SS..EExtended strand (participates in β ladder)trans-97.5125.7173-75.4-63.8000109.3V113 A114V113-H180 CarbonylContact C-O 3.48Å; V113-H180 WeakPolarHBondContact CA-O 3.33Å; A114-H180 HydrophobicContact CB-CB 4.42Å; A114-H180 PolarHBondContact N-O 2.88Å; A114-H180 PolarHBondContact O-N 3.17Å
181V92.4Very high78.1Confident1 Ų180.2 Ų80.21%0.00640%0.396CS..EExtended strand (participates in β ladder)trans-122.6129.2-174.5-169.10000108.9I111 V113 F129 V166 F169 N170 M179I111-V181 HydrophobicContact CB-CG1 4.34Å; I111-V181 HydrophobicContact CD1-CG1 3.68Å; V113-V181 HydrophobicContact CG1-CG2 4.25Å; V113-V181 HydrophobicContact CG2-CG1 4.44Å; F129-V181 HydrophobicContact CE1-CG1 4.05Å; F129-V181 HydrophobicContact CE1-CG2 4.34Å; F129-V181 HydrophobicContact CZ-CG1 4.07Å; F129-V181 HydrophobicContact CZ-CG2 3.84Å; V166-V181 HydrophobicContact CB-CG1 4.48Å; V166-V181 HydrophobicContact CG2-CG1 4.03Å; F169-V181 HydrophobicContact CB-CG2 3.82Å; N170-V181 HydrophobicContact CB-CB 4.04Å; N170-V181 PolarHBondContact OD1-N 2.85Å; N170-V181 VanDerWaalsContact OD1-N 3.14Å; N170-V181 PolarHBondContact OD1-O 2.87Å; M179-V181 HydrophobicContact CE-CG2 4.1Å; M179-V181 HydrophobicContact CG-CG2 4.18Å
182K89Confident76.2Confident137 Ų13783.1 Ų83.160%0.59640%0.398SS*.EExtended strand (participates in β ladder)trans-140.3161.2-179.7-62.7-172176.7-172.10109.7I111 F112I111-K182 CarbonylContact C-O 3.59Å; I111-K182 VanDerWaalsContact CA-O 3.24Å; I111-K182 WeakPolarHBondContact CA-O 3.28Å; I111-K182 VanDerWaalsContact CB-O 3.27Å; I111-K182 WeakPolarHBondContact CB-O 3.2Å; F112-K182 PolarHBondContact N-O 3.3Å; F112-K182 PolarHBondContact O-N 2.89Å
183L88.4Confident73.9Confident15 Ų1580.2 Ų80.28%0.07940%0.397CS..EExtended strand (participates in β ladder)trans-61.2144.8160.8-62.5176000109I98 I107 I111 A162 V163 V166 L188I98-L183 HydrophobicContact CD1-CD1 3.71Å; I98-L183 HydrophobicContact CD1-CG 4.46Å; I98-L183 HydrophobicContact CG1-CD1 3.94Å; I98-L183 HydrophobicContact CG2-CD1 4.16Å; I107-L183 HydrophobicContact CD1-CD1 3.97Å; I107-L183 HydrophobicContact CG1-CD1 4.48Å; I107-L183 HydrophobicContact CG2-CD1 3.8Å; I107-L183 HydrophobicContact CG2-CD2 4.14Å; I111-L183 HydrophobicContact CG2-CD2 4.32Å; A162-L183 HydrophobicContact CB-CD2 4.3Å; V163-L183 HydrophobicContact CG2-CD1 4.41Å; V163-L183 HydrophobicContact CG2-CD2 4.04Å; V166-L183 HydrophobicContact CG2-CD2 4.22Å; V166-L183 HydrophobicContact CG2-CG 4.4Å; L183-L188 HydrophobicContact CB-CD2 4.15Å; L183-L188 HydrophobicContact CB-CG 4.25Å; L183-L188 HydrophobicContact CD1-CD2 3.95Å
184D82.7Confident71.9Confident13 Ų1380.3 Ų80.37%0.0739%0.394CS..  trans-71.5148.3175.8-176.1-95.7000110.8T110 F112 K186 S187 L188T110-D184 HydrophobicContact CG2-CB 3.82Å; T110-D184 PolarHBondContact O-N 3.13Å; T110-D184 VanDerWaalsContact O-N 3.12Å; F112-D184 HydrophobicContact CB-CB 4.45Å; D184-K186 PolarHBondContact O-N 2.93Å; D184-K186 VanDerWaalsContact O-N 3.1Å; D184-K186 WeakPolarHBondContact OD1-CB 3.35Å; D184-K186 WeakPolarHBondContact OD1-CD 3.49Å; D184-K186 VanDerWaalsContact OD1-CG 3.3Å; D184-K186 WeakPolarHBondContact OD1-CG 3.48Å; D184-K186 PolarHBondContact OD1-N 3.08Å; D184-S187 PolarHBondContact N-OG 2.99Å; D184-S187 CarbonylContact O-C 3.52Å; D184-S187 PolarHBondContact O-N 3.24Å; D184-S187 PolarHBondContact O-OG 3.31Å; D184-L188 PolarHBondContact O-N 2.96Å; D184-L188 VanDerWaalsContact O-N 3.1Å
185E63.8Low69.8Low165 Ų16585.1 Ų85.177%0.77143%0.427SS*.THydrogen-bonded Turntrans-65-17.7-177.8-158.2169.986.600112.8
186K62.3Low67.7Low180 Ų18086.5 Ų86.578%0.78344%0.439SS*.THydrogen-bonded Turntrans-91.3-11.7173-49.5159.2-163.1137.50113.1D184D184-K186 PolarHBondContact O-N 2.93Å; D184-K186 VanDerWaalsContact O-N 3.1Å; D184-K186 WeakPolarHBondContact OD1-CB 3.35Å; D184-K186 WeakPolarHBondContact OD1-CD 3.49Å; D184-K186 VanDerWaalsContact OD1-CG 3.3Å; D184-K186 WeakPolarHBondContact OD1-CG 3.48Å; D184-K186 PolarHBondContact OD1-N 3.08Å
187S56.3Low65.7Low7 Ų788.9 Ų88.95%0.04944%0.436CS..THydrogen-bonded Turntrans-98.5-5.6171.463.20000112.9I107 G108 T110 D184I107-S187 WeakPolarHBondContact CA-O 3.4Å; G108-S187 PolarHBondContact N-O 2.69Å; G108-S187 WeakPolarHBondContact O-CB 3.5Å; T110-S187 PolarHBondContact O-OG 3.47Å; D184-S187 PolarHBondContact N-OG 2.99Å; D184-S187 CarbonylContact O-C 3.52Å; D184-S187 PolarHBondContact O-N 3.24Å; D184-S187 PolarHBondContact O-OG 3.31Å
188L55.6Low63.5Low48 Ų4888.4 Ų88.425%0.25145%0.449SS..SBendtrans-84.4152.6164.6-70.4172000111.5L183 D184 F192L183-L188 HydrophobicContact CB-CD2 4.15Å; L183-L188 HydrophobicContact CB-CG 4.25Å; L183-L188 HydrophobicContact CD1-CD2 3.95Å; D184-L188 PolarHBondContact O-N 2.96Å; D184-L188 VanDerWaalsContact O-N 3.1Å; L188-F192 HydrophobicContact CB-CB 4.22Å; L188-F192 HydrophobicContact CD1-CB 4.39Å
189P50.6Low61.6Low31 Ų3190.8 Ų90.820%0.20147%0.468CS..  trans-62.3149.7166.7-14.928.1000110.8R106 D191 F192R106-P189 HydrophobicContact CB-CG 4.04Å; P189-D191 PolarHBondContact O-N 3.36Å; P189-F192 HydrophobicContact CB-CD2 4.21Å; P189-F192 HydrophobicContact CG-CD2 3.9Å; P189-F192 HydrophobicContact CG-CE2 4.35Å; P189-F192 PolarHBondContact O-N 2.81Å
190K52.4Low59.4Low186 Ų18696.1 Ų96.181%0.80951%0.506SS*.G310 helixtrans-60-18.7178.3-72.8-178.4179.2173.60114.1F192K190-F192 VanDerWaalsContact C-N 3.29Å; K190-F192 PolarHBondContact O-N 3.3Å
191D53.1Low57.5Low147 Ų14795.7 Ų95.779%0.78651%0.507SS*.G310 helixtrans-62.7-28.8169.7-82.6-130.3000113.8P189 G193P189-D191 PolarHBondContact O-N 3.36Å; D191-G193 PolarHBondContact O-N 2.75Å
192F47.8Very low55.9Low99 Ų99100.2 Ų100.243%0.43454%0.536SS..G310 helixtrans-88.724.2-175.2-79.5-87.5000113.9E97 L188 P189 K190E97-F192 HydrophobicContact CB-CE1 4.29Å; E97-F192 HydrophobicContact CB-CZ 3.97Å; E97-F192 HydrophobicContact CG-CZ 4.32Å; E97-F192 WeakPolarHBondContact OE1-CE1 3.13Å; L188-F192 HydrophobicContact CB-CB 4.22Å; L188-F192 HydrophobicContact CD1-CB 4.39Å; P189-F192 HydrophobicContact CB-CD2 4.21Å; P189-F192 HydrophobicContact CG-CD2 3.9Å; P189-F192 HydrophobicContact CG-CE2 4.35Å; P189-F192 PolarHBondContact O-N 2.81Å; K190-F192 VanDerWaalsContact C-N 3.29Å; K190-F192 PolarHBondContact O-N 3.3Å
193G40.8Very low54.1Low45 Ų45106.1 Ų106.146%0.46455%0.554SS.*SBendtrans-58.1155.1157.800000110.6D191D191-G193 PolarHBondContact O-N 2.75Å
194Q47.1Very low52.5Low126 Ų126109.1 Ų109.159%0.58959%0.589SS**PPolyproline II helixtrans-54.1138.5176.6-67.4-175.9-12.100110.5D196Q194-D196 PolarHBondContact O-N 2.94Å
195P45.4Very low51Low125 Ų125113.3 Ų113.381%0.81261%0.611SS**SBendtrans-55.1129.217224.7-33.8000108.6R197P195-R197 PolarHBondContact O-N 3.47Å; P195-R197 VanDerWaalsContact O-N 3.15Å
196D41.6Very low50.3Low136 Ų136111.9 Ų111.973%0.72762%0.619SS**  trans-29.1105.8-159.7-171.4-137000114.8Q194 G198Q194-D196 PolarHBondContact O-N 2.94Å; D196-G198 PolarHBondContact O-N 3.39Å; D196-G198 WeakPolarHBondContact OD1-CA 3.46Å
197R46.1Very low49.8Very low202 Ų202105.7 Ų105.776%0.76261%0.606SS**  trans-72.278.7159.9-90-172.1167.2179.4-2.2107.6P195 S199P195-R197 PolarHBondContact O-N 3.47Å; P195-R197 VanDerWaalsContact O-N 3.15Å; R197-S199 PolarHBondContact O-N 2.86Å
198G42.9Very low49.5Very low48 Ų48110.7 Ų110.750%0.49563%0.631SS.*  trans-28.3114.7-170.300000113D196 S200D196-G198 PolarHBondContact O-N 3.39Å; D196-G198 WeakPolarHBondContact OD1-CA 3.46Å; G198-S200 PolarHBondContact O-N 3.2Å
199S51.1Low49.1Very low105 Ų105111.4 Ų111.473%0.73465%0.65SS**  trans-28.8100.5-171.4510000112.3R197 L201R197-S199 PolarHBondContact O-N 2.86Å; S199-L201 PolarHBondContact O-N 2.81Å
200S47.8Very low49.3Very low116 Ų116119.1 Ų119.181%0.81169%0.688SS**  trans-68.1109.3-169.243.90000110G198G198-S200 PolarHBondContact O-N 3.2Å
201L50.8Low49.5Very low78 Ų78112.7 Ų112.741%0.40868%0.675SS.*  trans-52.1141.9-178.4-71168.7000110.3S199 R203 L205 I208S199-L201 PolarHBondContact O-N 2.81Å; L201-R203 PolarHBondContact O-N 3.14Å; L201-L205 HydrophobicContact CB-CB 4.35Å; L201-L205 HydrophobicContact CD1-CB 4.38Å; L201-I208 HydrophobicContact CD2-CD1 4.16Å
202P59.4Low49.6Very low96 Ų96109.8 Ų109.862%0.62366%0.659SS**  trans-55.7136.7179.623.5-33.4000110.3G204 L205P202-G204 PolarHBondContact O-N 3.47Å; P202-L205 PolarHBondContact O-N 2.97Å
203R50.2Low50Low260 Ų260106.2 Ų106.298%0.98165%0.65SS**THydrogen-bonded Turntrans-50.7107.1-171.1-71.6179.4175.5163-2.2111.4L201L201-R203 PolarHBondContact O-N 3.14Å
204G55.2Low50.2Low78 Ų78110.9 Ų110.980%0.80467%0.672SS**THydrogen-bonded Turntrans145.5-24.6-178.600000114P202P202-G204 PolarHBondContact O-N 3.47Å
205L50.9Low50.8Low102 Ų102108.5 Ų108.553%0.53468%0.682SS.*  trans-103.1107.3-179.9-67.1171.9000111.8L201 P202L201-L205 HydrophobicContact CB-CB 4.35Å; L201-L205 HydrophobicContact CD1-CB 4.38Å; P202-L205 PolarHBondContact O-N 2.97Å
206S48.8Very low51.5Low135 Ų135104.9 Ų104.994%0.94467%0.667SS**SBendtrans-88.2-2.5176.350.80000114.3
207G52.9Low52.3Low49 Ų49105 Ų10551%0.50566%0.663SS.*  trans178.5144.9173.900000111.7
208I49.5Very low52.7Low113 Ų113100.1 Ų100.158%0.57966%0.657SS**  trans-92.1139.7164.7-64.9172.7000107L201 L212L201-I208 HydrophobicContact CD2-CD1 4.16Å; I208-L212 HydrophobicContact CG2-CD1 4.03Å
209G47.7Very low53.3Low62 Ų62103.4 Ų103.464%0.63966%0.663SS**  trans-62170.9-174.900000114.6G211G209-G211 PolarHBondContact O-N 3.1Å
210L55Low53.1Low194 Ų194103.1 Ų103.1100%1.01665%0.653SS**SBendtrans-70.248.9-166.8-15182.1000115.2
211G56.3Low53.3Low50 Ų50101.2 Ų101.252%0.51564%0.644SS.*  trans-137.713.2-170.300000116.1G209G209-G211 PolarHBondContact O-N 3.1Å
212L54Low53.3Low86 Ų86103 Ų10345%0.4566%0.658SS.*SBendtrans-118.3139.7171.8-70.4172.9000110I208I208-L212 HydrophobicContact CG2-CD1 4.03Å
213G55.9Low52.9Low25 Ų25106.2 Ų106.226%0.25867%0.667SS.*  trans-69.8162.6176.800000112.6G215 G216G213-G215 PolarHBondContact O-N 3.41Å; G213-G216 PolarHBondContact O-N 3.27Å
214P46.4Very low53Low143 Ų143100.8 Ų100.893%0.92966%0.657SS**THydrogen-bonded Turntrans-56.1124.1171.724.8-33.5000109.9
215G58.6Low52.7Low76 Ų76104.4 Ų104.478%0.78466%0.658SS**THydrogen-bonded Turntrans95.74.7-17100000115.4G213 Q217G213-G215 PolarHBondContact O-N 3.41Å; G215-Q217 VanDerWaalsContact C-N 3.27Å; G215-Q217 PolarHBondContact O-N 3.29Å
216G61.6Low52.7Low49 Ų49110.9 Ų110.951%0.50568%0.675SS.*SBendtrans74.59.5169.300000115.6G213G213-G216 PolarHBondContact O-N 3.27Å
217Q57.8Low52.2Low137 Ų137107.8 Ų107.864%0.6467%0.665SS**PPolyproline II helixtrans-66133.8175.7-67.3-67.9-28.700110.6G215G215-Q217 VanDerWaalsContact C-N 3.27Å; G215-Q217 PolarHBondContact O-N 3.29Å
218P55Low52.2Low100 Ų100112.3 Ų112.365%0.64969%0.688SS**PPolyproline II helixtrans-69.2135.9171.729.9-33.4000110D220P218-D220 PolarHBondContact O-N 3.47Å
219I54Low51.9Low118 Ų118110.3 Ų110.361%0.60570%0.695SS**PPolyproline II helixtrans-78.1118.6177.2-58.5174.4000108.3A221I219-A221 PolarHBondContact O-N 2.94Å
220D46.5Very low51.5Low98 Ų98111.3 Ų111.352%0.52471%0.706SS.*  trans-69.5115.6177.8-170.8-79.6000111P218 T222P218-D220 PolarHBondContact O-N 3.47Å; D220-T222 PolarHBondContact O-N 3.46Å; D220-T222 WeakPolarHBondContact OD1-CA 3.41Å; D220-T222 WeakPolarHBondContact OD1-CB 3.48Å; D220-T222 PolarHBondContact OD1-N 2.98Å; D220-T222 PolarHBondContact OD1-OG1 3.34Å
221A52.1Low50.7Low77 Ų77106 Ų10664%0.63670%0.698SS**G310 helixtrans-69.3-12.5-174.200000113.9I219 M223 L224I219-A221 PolarHBondContact O-N 2.94Å; A221-M223 VanDerWaalsContact C-N 3.26Å; A221-M223 PolarHBondContact O-N 2.96Å; A221-L224 PolarHBondContact O-N 3.09Å
222T52.7Low49.8Very low115 Ų115107.4 Ų107.471%0.70671%0.713SS**G310 helixtrans-71.9-20.4-174.7-32.40000112.4D220D220-T222 PolarHBondContact O-N 3.46Å; D220-T222 WeakPolarHBondContact OD1-CA 3.41Å; D220-T222 WeakPolarHBondContact OD1-CB 3.48Å; D220-T222 PolarHBondContact OD1-N 2.98Å; D220-T222 PolarHBondContact OD1-OG1 3.34Å
223M49.5Very low49.3Very low163 Ų163107.4 Ų107.480%0.80373%0.733SS**G310 helixtrans-84.3-10.8179.8-60.8-163.5-176.800114.4A221 N225A221-M223 VanDerWaalsContact C-N 3.26Å; A221-M223 PolarHBondContact O-N 2.96Å; M223-N225 PolarHBondContact O-N 2.82Å
224L53.3Low48.6Very low147 Ų147110.2 Ų110.277%0.7776%0.762SS**G310 helixtrans-80-12.1-176.9-78.9165.5000114.7A221A221-L224 PolarHBondContact O-N 3.09Å
225N48.4Very low48.3Very low154 Ų154107.2 Ų107.282%0.82476%0.758SS**G310 helixtrans-105.619.9-175-161.228.7000114.6M223M223-N225 PolarHBondContact O-N 2.82Å
226R50.8Low47.3Very low238 Ų238107 Ų10790%0.89876%0.755SS**SBendtrans-145.259.5177.7-156.7-176.8-166.7-162.33.7113.6
227G38.3Very low46.2Very low70 Ų70114.5 Ų114.572%0.72278%0.779SS**  trans-175.917.7-17900000118.8G229G227-G229 VanDerWaalsContact C-N 3.3Å; G227-G229 PolarHBondContact O-N 3.43Å
228S53.1Low45.2Very low143 Ų143111.5 Ų111.5100%179%0.786SS**  trans-71.291.8167.5-169.50000108.6
229G42.2Very low44.6Very low71 Ų71114.3 Ų114.373%0.73280%0.795SS**  trans-15519.5-160.800000116.5G227G227-G229 VanDerWaalsContact C-N 3.3Å; G227-G229 PolarHBondContact O-N 3.43Å
230G39.5Very low44Very low84 Ų84117.5 Ų117.587%0.86681%0.81SS**  trans79.6162.5172.100000115.6
231G38.1Very low43.3Very low81 Ų81116.1 Ų116.184%0.83582%0.819SS**  trans152.7-15.8163.400000121.7
232G38.8Very low43.1Very low81 Ų81119.1 Ų119.184%0.83583%0.832SS**  trans68.9156.616500000119.8
233G42.8Very low42.2Very low85 Ų85117.5 Ų117.588%0.87684%0.838SS**  trans80.9113.7168.200000116.1
234G41.2Very low41.4Very low84 Ų84113.8 Ų113.887%0.86684%0.841SS**  cis106.7101.6-6.200000114.3
235G39.2Very low40.7Very low81 Ų81114.6 Ų114.684%0.83584%0.843SS**  trans88.7142.7178.400000113.7
236G38.9Very low40Very low71 Ų71113.9 Ų113.973%0.73284%0.839SS**  cis108.3145.1-000000113.2
237M38.2Very low39Very low206 Ų206106.8 Ų106.8100%1.01583%0.832SS**  trans70.3155.4-168.4-57.2177.3145.400114.1
238G36Very low38.7Very low75 Ų75113 Ų11377%0.77384%0.844SS**  cis-172.3165.6-2.900000113.4
239N43.6Very low37.8Very low159 Ų159109.9 Ų109.985%0.8584%0.835SS**  trans-89.7125.7-179.1162.3101.8000111.7
240M41Very low37.4Very low185 Ų185117.1 Ų117.191%0.91185%0.846SS**  trans-162.3131.1156.6-119.8173.5-172.600115.4
241G31Very low37.1Very low69 Ų69116.6 Ų116.671%0.71184%0.841SS**  trans55.8118132.300000121.7
242P47.7Very low36.9Very low139 Ų139120.1 Ų120.190%0.90384%0.841SS**  trans-85.9139.116334.5-31.8000112.4
243G34.5Very low36.7Very low81 Ų81122.3 Ų122.384%0.83584%0.837SS**  trans149.3163.117000000113.3
244G32.7Very low36.2Very low85 Ų85121.8 Ų121.888%0.87683%0.832SS**  trans109.6106.8174.200000113.9
245M39.3Very low35.9Very low165 Ų165121 Ų12181%0.81382%0.824SS**  trans-86.2159.5176.9-119.6161.882.700111.9
246D32.3Very low35.6Very low138 Ų138129.2 Ų129.274%0.73883%0.83SS**  trans75.9156.1149.5-61.7-35000123.4
247A31.2Very low35.3Very low90 Ų90135.1 Ų135.174%0.74484%0.841SS**  trans79.8100.8156.700000120.9
248M32.2Very low35Very low200 Ų200129.1 Ų129.199%0.98583%0.832SS**  trans34.5132.2130.9-52.7-171.6-166.600121.2
249G33.1Very low34.8Very low77 Ų77129.6 Ų129.679%0.79484%0.837SS**  trans179.3109156.900000114.7
250F34.7Very low34.2Very low224 Ų224125.4 Ų125.498%0.98283%0.832SS**  trans-62.3134.3164.5-91-112.7000109.9
251G32.5Very low33.9Very low72 Ų72124.6 Ų124.674%0.74283%0.828SS**  trans-87.5158174.200000112.9
252N34Very low34.2Very low156 Ų156127.7 Ų127.783%0.83483%0.828SS**  trans-155.6160.6153.1-143.6-4.5000113.4
253V34.1Very low33.5Very low126 Ų126128.6 Ų128.676%0.76483%0.825SS**  trans-26.4147.4156.41740000114.5
254G33.1Very low33.3Very low74 Ų74134.1 Ų134.176%0.76383%0.826SS**  cis133138.93.500000113.1
255G34.2Very low33.1Very low69 Ų69134 Ų13471%0.71183%0.825SS**  trans160.1122.7179.700000109.5
256R34Very low32.7Very low252 Ų252130 Ų13095%0.95183%0.826SS**  67.4112.264.5-69.7-174.7178.9-101.51.7114
257M32.4Very low32.6Very low195 Ų195132.1 Ų132.196%0.96183%0.834SS**  145.5128.5119.5-172.3158.2169.800115.2
258G31.7Very low32.6Very low81 Ų81135 Ų13584%0.83584%0.837SS**  trans78.1159.2167.100000117
259G31.6Very low32.7Very low84 Ų84131 Ų13187%0.86682%0.823SS**  cis152.9132.8-10.400000113.7
260G31.8Very low32.7Very low72 Ų72133.9 Ų133.974%0.74282%0.82SS**  trans101.5144.1-179.100000113.5
261M34.6Very low32.3Very low168 Ų168135 Ų13583%0.82882%0.818SS**  cis63.9127.328.7-69.517869.400113.1
262D36.3Very low32.3Very low134 Ų134140.5 Ų140.572%0.71782%0.822SS**  cis-146.8171.17.1-66.7-68.4000111.5
263N33Very low32Very low157 Ų157136.8 Ų136.884%0.8482%0.82SS**  -170.9160.5118.6-158.413.4000113.2
264F30.2Very low32.2Very low198 Ų198135.8 Ų135.887%0.86882%0.819SS**  trans-94.2154.4-176.3-102.9-122.8000115.3
265G27.8Very low32.2Very low82 Ų82138.2 Ų138.285%0.84582%0.824SS**  100147.2128.100000118.9
266G30.8Very low32.1Very low81 Ų81138.5 Ų138.584%0.83583%0.827SS**  trans141.784.7168.900000115.1
267M31.9Very low31.9Very low182 Ų182136.1 Ų136.190%0.89783%0.829SS**  trans-95.2146.2162.6-74.5171155.900110.3
268N30.3Very low31.9Very low152 Ų152129.9 Ų129.981%0.81382%0.815SS**  trans153.6128.7149.5-84.5-61.3000107.4
269V33.5Very low31.8Very low115 Ų115137.8 Ų137.870%0.69782%0.82SS**  cis81.6102.245.8179.90000112.6
270D33.2Very low31.5Very low138 Ų138142 Ų14274%0.73882%0.819SS**  trans40.4125.8150.1-64.9-106.5000122.9
271R26.9Very low31.6Very low246 Ų246144.3 Ų144.393%0.92881%0.814SS**  -158.9125.2121-178155-82.6-126.4-2.7115.2
272F32.3Very low31.7Very low189 Ų189143.5 Ų143.583%0.82981%0.809SS**  trans-40.2155.2166.6-101.5-111.4000119.8
273G28.3Very low31.6Very low77 Ų77144.9 Ų144.979%0.79481%0.812SS**  trans156.1116.2152.400000114.1
274S37.6Very low31.5Very low105 Ų105142.1 Ų142.173%0.73480%0.798SS**  cis147.3116.9-15.3171.70000107.4
275S33.9Very low31.9Very low125 Ų125143.1 Ų143.187%0.87480%0.796SS**  trans-170.4126.2166.8-81.50000112.2
276G31Very low31.9Very low76 Ų76142.2 Ų142.278%0.78479%0.786SS**  trans74.2119.8173.200000115.5
277M31.6Very low32.1Very low202 Ų202146.7 Ų146.7100%0.99579%0.789SS**  cis72.3115.213.9-155178.5-17400114.8
278G30.9Very low32Very low64 Ų64141.3 Ų141.366%0.6678%0.781SS**  cis166.3165.8-9.500000113.4
279R29.5Very low32Very low247 Ų247137.9 Ų137.993%0.93278%0.782SS**  trans70.6139.8-177-51.4179.3-168.8-103.43.7114.6
280M26.8Very low31.7Very low171 Ų171136.7 Ų136.784%0.84278%0.784SS**  cis78.8120-0.6-144.9169.5-165.700119
281N33.4Very low31.6Very low121 Ų121139.9 Ų139.965%0.64779%0.791SS**  trans61.3162.1178.2-69.337.2000115.9
282E37.4Very low31.9Very low152 Ų152133.5 Ų133.571%0.7178%0.776SS**  cis-104.5-164.8-6.5-137.367.768.600108.6
283M33.2Very low32Very low162 Ų162134 Ų13480%0.79877%0.772SS**  cis-155.5-174.91.1-143.5166.1-163.200105.5
284D31.4Very low32.1Very low100 Ų100138.1 Ų138.154%0.53577%0.771SS.*  cis-157.5164.13.6-158.5-161.9000104.3
285R37.3Very low31.6Very low218 Ų218142.8 Ų142.882%0.82378%0.778SS**  cis-154.2139.311.8-174.1171-70.9179.80.7110.7
286G29.3Very low31.2Very low63 Ų63139.9 Ų139.965%0.64977%0.768SS**  trans101.2102.7153.400000119.5
287I33.7Very low31.1Very low175 Ų175147 Ų14790%0.89777%0.771SS**  28.3135.7111.6-51.7164.4000116.9
288G30Very low31Very low69 Ų69142.7 Ų142.771%0.71175%0.752SS**  cis129.9130.24.200000113
289G30.4Very low30.9Very low81 Ų81146.1 Ų146.184%0.83575%0.751SS**  trans86.4145.7-179.800000114.2
290A28.5Very low31.1Very low90 Ų90142.4 Ų142.474%0.74475%0.746SS**  cis109.175.51400000115.8
291F30.2Very low31.4Very low205 Ų205137.4 Ų137.490%0.89974%0.739SS**  trans-159.8135.7157.5-78.3-75.4000105.3
292D33.8Very low31.2Very low112 Ų112140.6 Ų140.660%0.59975%0.752SS**  cis75124.412.8-153.7-110.5000117.4
293R33.6Very low31Very low198 Ų198138.8 Ų138.875%0.74776%0.756SS**  trans62.5160.5-174.1-84.7156.3-86.7-175.8-6.1115.7
294E29.7Very low30.9Very low165 Ų165142 Ų14277%0.77176%0.759SS**  cis-142.7132.95.9-141.4151.7132.300108.7
295F27.6Very low31.1Very low202 Ų202144.4 Ų144.489%0.88677%0.772SS**  57.495.181.5-116.9-76.1000117.8
296G25.4Very low30.6Very low64 Ų64140.3 Ų140.366%0.6677%0.766SS**  101.9139.6121.100000121.7
297R29.2Very low30.8Very low227 Ų227147.1 Ų147.186%0.85778%0.779SS**  trans66.4168.2157.5-66.4-170.9176-123.37.9116.9
298N29.1Very low30.6Very low110 Ų110141.6 Ų141.659%0.58877%0.765SS**  cis-165169-28.8-979.4000106
299E29.6Very low30.8Very low136 Ų136145.9 Ų145.964%0.63677%0.771SS**  cis-160.3169.1-0.7-128.4169.4101.900110.8
300M33.2Very low30.8Very low170 Ų170147.3 Ų147.384%0.83777%0.768SS**  trans64.2159.7165.8-61.3179.1-168.700117.9
301G32.6Very low30.9Very low66 Ų66151.1 Ų151.168%0.6877%0.768SS**  cis-136.3156.5-6.400000110.4
302M30.3Very low31.1Very low187 Ų187148.6 Ų148.692%0.92176%0.76SS**  64.18166.1-76-159.4172.600116
303S33.8Very low31.2Very low115 Ų115153.8 Ų153.880%0.80477%0.771SS**  -172.2129.7129.2-790000108.4
304R31Very low30.9Very low228 Ų228147.6 Ų147.686%0.8677%0.769SS**  57.798.459.8-84.4-167.9171.8-177.2-1.7114.3
305N35.4Very low30.9Very low152 Ų152149.4 Ų149.481%0.81378%0.78SS**  173.1120119.4-83.8-11.9000108.3
306N27.6Very low30.9Very low131 Ų131143.4 Ų143.470%0.70178%0.775SS**  89.688.766.1-173.696.1000112.6
307F32Very low31.2Very low207 Ų207148 Ų14891%0.90878%0.784SS**  trans-152.2137.4133.1-108.1-82.4000106.6
308G29.4Very low31.4Very low58 Ų58142.1 Ų142.160%0.59878%0.778SS**  cis14785.2-100000109.4
309D35.7Very low31.6Very low160 Ų160144.9 Ų144.986%0.85679%0.792SS**  trans-75.6128.2-178.4-159.6-45.9000110.7
310S30Very low31.5Very low110 Ų110141.7 Ų141.777%0.76980%0.795SS**  trans179.1148.1157.2-83.60000113.2
311F31.2Very low31.5Very low170 Ų170142.4 Ų142.475%0.74680%0.799SS**  trans93.391.3169.1-128.4-89.8000116.2
312E32.4Very low31.5Very low153 Ų153145.8 Ų145.872%0.71580%0.802SS**  89.3140.750.2-167174.1113.200113.8
313R36.7Very low31.5Very low220 Ų220148.6 Ų148.683%0.8380%0.802SS**  trans73.3135.4-168.2-52.4-175.6177.7-158.1-2.5114.4
314G27.2Very low31.3Very low69 Ų69150.8 Ų150.871%0.71180%0.801SS**  cis117.5132.2-9.400000114.6
315M29.6Very low31.3Very low203 Ų203146.5 Ų146.5100%180%0.795SS**  trans57.7133.2170.2-74.9-175.4161.600119.7
316G28.3Very low31.4Very low76 Ų76145.1 Ų145.178%0.78479%0.793SS**  122.3134.8118.900000117.9
317N32Very low31.5Very low160 Ų160142 Ų14286%0.85679%0.792SS**  trans-55.4149.7165.7-65.7-19.6000112.4
318S32.7Very low31.6Very low103 Ų103140.3 Ų140.372%0.7279%0.789SS**  175.6159.9102.447.20000113
319L33.3Very low31.8Very low169 Ų169143.7 Ų143.789%0.88579%0.793SS**  trans33.7124.2147.8-59164.1000118.1
320G27.6Very low31.6Very low69 Ų69148.1 Ų148.171%0.71180%0.798SS**  cis93.199.225.400000110.9
321M32.9Very low31.8Very low184 Ų184151.1 Ų151.191%0.90680%0.804SS**  trans-158.1130.8163.6-156.370.6-174.900111.4
322D32.8Very low31.7Very low138 Ų138147.1 Ų147.174%0.73881%0.811SS**  trans-70.8153.5174.8-56.1-107.8000113
323R29.2Very low31.6Very low245 Ų245143.8 Ų143.893%0.92582%0.817SS**  trans-149.6109.8139.5-163.8169.1-72.6-162.1-1112.3
324M31Very low31.3Very low162 Ų162138.8 Ų138.880%0.79882%0.816SS**  trans-71.2155.1161.6-58.3177.1-176.600110.5
325N31.2Very low31.6Very low137 Ų137142.9 Ų142.973%0.73382%0.821SS**  138.6138.4108.3-160.525.6000114.2
326T36.5Very low31.9Very low123 Ų123140.2 Ų140.276%0.75581%0.811SS**  trans53.2149.9159.6410000120.2
327G29.4Very low31.9Very low66 Ų66148.3 Ų148.368%0.6882%0.818SS**  cis144.8130.1-7.600000113.6
328M33.7Very low31.8Very low172 Ų172149.7 Ų149.785%0.84782%0.821SS**  trans72.5163.5159.3-134.279.5175.700119.6
329D34.4Very low31.7Very low129 Ų129148.5 Ų148.569%0.6983%0.825SS**  trans65.394.7155.6-56.6-42.8000122.2
330R31.7Very low31.6Very low252 Ų252143.7 Ų143.795%0.95182%0.816SS**  trans-137.496.5136.1-75.3-163.7176.1-175-1.1111.3
331L33.6Very low31.8Very low174 Ų174150.1 Ų150.191%0.91183%0.83SS**  trans-137.4146.2167.9-83.8173.6000109.9
332G29Very low31.8Very low86 Ų86144.9 Ų144.989%0.88782%0.824SS**  trans103.6139.1168.600000115.8
333G30.7Very low31.8Very low82 Ų82147.3 Ų147.385%0.84583%0.833SS**  trans139.796.5175.200000112.5
334S30.1Very low32Very low115 Ų115142.6 Ų142.680%0.80483%0.826SS**  trans-117.2162.2-175.4-56.40000112.9
335L34.2Very low32Very low156 Ų156147.1 Ų147.182%0.81783%0.834SS**  trans80.8119.4149.9-127.668.9000119.9
336D35.3Very low32.1Very low146 Ų146149.1 Ų149.178%0.78184%0.841SS**  trans22.3128.4143.3-60.3-108.7000122.3
337R29.6Very low31.8Very low247 Ų247149 Ų14993%0.93284%0.836SS**  trans-144.298.3146.1-171.6164.6-72.8-150.9-1.8114.3
338M29.6Very low31.8Very low189 Ų189155.4 Ų155.493%0.93184%0.84SS**  trans-25.6144.8155.1176-177.3176.500119
339G30.9Very low31.7Very low77 Ų77153.5 Ų153.579%0.79484%0.837SS**  trans124.3139.3160.300000114.5
340G29.5Very low31.6Very low68 Ų68151.9 Ų151.970%0.70184%0.836SS**  cis164.5146.2-600000111.4
341M33.7Very low31.9Very low204 Ų204147 Ų147100%1.00583%0.829SS**  trans65.2136.6-172.2-58.8173.7159.300115.5
342G30.9Very low31.8Very low75 Ų75146.8 Ų146.877%0.77383%0.828SS**  cis126.6114.3-18.700000115.5
343M33.5Very low31.9Very low189 Ų189149.2 Ų149.293%0.93182%0.82SS**  trans-160.1144.4138.4-141.5179.5-168.500112.2
344D34Very low32Very low145 Ų145156 Ų15678%0.77582%0.82SS**  trans-92.2153.1-169.8-47.2-108.8000113.8
345R30.2Very low32Very low257 Ų257160 Ų16097%0.9783%0.829SS**  -153.1139.3118.7-115.8175.5-165.6-175.64.9112.8
346M33.6Very low31.7Very low179 Ų179155.4 Ų155.488%0.88282%0.819SS**  trans-143.3131.5-176.2176.8-176.8-170.600106.7
347D30Very low31.8Very low122 Ų122155 Ų15565%0.65283%0.828SS**  trans-153.7145.4144.6-153.2-136.9000111.9
348R30.4Very low31.9Very low200 Ų200146.3 Ų146.376%0.75582%0.815SS**  trans15.5127.3161.9-68.4158.2-141.4-110.8-4.2120.5
349V31.4Very low31.9Very low131 Ų131146.8 Ų146.879%0.79481%0.812SS**  89.611651.2167.90000113.6
350S32.9Very low32.1Very low95 Ų95148.4 Ų148.466%0.66480%0.803SS**  trans54.6118.7154.3-76.70000123.4
351D36Very low32.1Very low149 Ų149157.1 Ų157.180%0.79782%0.815SS**  49.396.1121.2-50.3-73000119.3
352L33.1Very low32Very low170 Ų170156 Ų15689%0.8981%0.809SS**  trans-155.7154.4133.9-157.353.6000114.1
353D31Very low31.9Very low137 Ų137155.3 Ų155.373%0.73380%0.802SS**  trans-57.6143.3177.7-84.1-97.1000118.2
354R31.7Very low32.1Very low225 Ų225152.6 Ų152.685%0.84980%0.802SS**  65.795.9125.2-169.2-168.4-170.3-156.75.4120.4
355M30.4Very low31.9Very low199 Ų199148.9 Ų148.998%0.9880%0.798SS**  trans-168.9150.8140.3-106.4173.7-107.200108.8
356G29.1Very low32.2Very low60 Ų60143.8 Ų143.862%0.61979%0.787SS**  cis160.1117.5-900000112.9
357S36.9Very low32.2Very low136 Ų136140.6 Ų140.695%0.95177%0.774SS**  trans63.4152.2175.769.80000117.4
358G30.6Very low32.2Very low65 Ų65144 Ų14467%0.6778%0.778SS**  cis148.5143.8-8.700000113.4
359F31.1Very low32.2Very low199 Ų199142.2 Ų142.287%0.87378%0.782SS**  trans-155.2121.8162.3-136.2-95.9000113.6
360D33.9Very low32.2Very low112 Ų112138.9 Ų138.960%0.59977%0.774SS**  trans18124.1158.6-65.5-108.9000123.9
361R30.2Very low32.9Very low251 Ų251139.9 Ų139.995%0.94778%0.778SS**  -146139.1115.8-111.9178.2-166.8-161.22.4112.8
362M30.3Very low32.6Very low179 Ų179138.5 Ų138.588%0.88278%0.775SS**  trans-69.6161.1175.7-59.1167.2-178.300111.5
363G30.4Very low32.6Very low62 Ų62138.6 Ų138.664%0.63977%0.773SS**  cis165.8-172.3-1.100000112
364S37.1Very low32.5Very low131 Ų131137.4 Ų137.492%0.91677%0.767SS**  trans67.4129.6-173.274.30000116.1
365G30.2Very low32.3Very low68 Ų68137.1 Ų137.170%0.70177%0.766SS**  cis170.1144.4-14.800000113.6
366M35.3Very low32.3Very low149 Ų149136.1 Ų136.173%0.73476%0.763SS**  trans52.6143.3162.8-9158.317800119.1
367D33.5Very low32.3Very low113 Ų113136.5 Ų136.560%0.60477%0.768SS**  cis-140.91424.5-103.6-55.8000108.5
368R31.5Very low32.3Very low194 Ų194136.6 Ų136.673%0.73277%0.765SS**  52.4136.991.9-59.8-171.6-167.7175.1-0.4114.9
369L29.6Very low32.4Very low162 Ų162136.8 Ų136.885%0.84877%0.767SS**  cis-160165.5-3.1-108.9165.4000108.3
370G30.5Very low32.6Very low61 Ų61134.4 Ų134.463%0.62976%0.762SS**  trans-90.2-162.6163.800000112.2
371P49.5Very low32.4Very low115 Ų115134.8 Ų134.875%0.74776%0.764SS**  cis-142.2-161.64.142-21.1000114.7
372T28.8Very low32.3Very low120 Ų120132.3 Ų132.374%0.73676%0.755SS**  trans65.5120.5153.348.90000123
373M32.2Very low32.2Very low173 Ų173132.4 Ų132.485%0.85276%0.756SS**  trans82.5140.1133.9-86.7175.4161.400123.9
374D29.6Very low32.2Very low112 Ų112134.4 Ų134.460%0.59976%0.76SS**  trans50.8120.5156.1-81.7-103.6000124.9
375R28.6Very low31.8Very low218 Ų218132.8 Ų132.882%0.82375%0.749SS**  35115127.8-61.4179.4173.4-176.1-3.3118.4
376L29.8Very low31.6Very low178 Ų178134.4 Ų134.493%0.93275%0.749SS**  171.8152.2103.8-91.2164000111.6
377G28.6Very low31.4Very low69 Ų69135.1 Ų135.171%0.71175%0.752SS**  trans82.493.4154.200000119
378P37.8Very low31.1Very low138 Ų138136.1 Ų136.190%0.89676%0.758SS**  trans-77.9144154.133.8-31.9000110.5
379G30.9Very low31.1Very low68 Ų68136.8 Ų136.870%0.70176%0.761SS**  trans-146.269.9-170.800000115.6
380L36Very low31.1Very low149 Ų149137 Ų13778%0.7876%0.761SS**  trans64.4156.7170.2-84.572.6000115
381D30Very low31.1Very low120 Ų120137.6 Ų137.664%0.64277%0.768SS**  cis-118.2162.120.5-108.5-58.6000117.1
382R28.9Very low31.2Very low199 Ų199138.6 Ų138.675%0.75177%0.774SS**  trans-12.6139.4158.7-57.3158.4-145.4-154.1-3.8115.4
383M28.4Very low31.4Very low182 Ų182137 Ų13790%0.89778%0.782SS**  cis-137.6155.827.3-64.3176.5-174.700113.1
384S28.4Very low31.2Very low104 Ų104132.3 Ų132.373%0.72778%0.778SS**  trans-47.1131.9177.9-148.70000112.2
385S28.6Very low31.4Very low97 Ų97136.1 Ų136.168%0.67879%0.79SS**  cis56.2135.249.283.20000113
386S26.2Very low31.5Very low102 Ų102130.5 Ų130.571%0.71378%0.776SS**  cis-144.6168.915.1-53.50000108.8
387M31.6Very low31.4Very low163 Ų163131.9 Ų131.980%0.80377%0.768SS**  cis52.9141.849-120.469.1-171.500112.9
388D28Very low31.4Very low135 Ų135135.5 Ų135.572%0.72277%0.771SS**  cis-151.7-162.27.9-150.1-33.1000110.9
389R31Very low30.9Very low208 Ų208132.7 Ų132.779%0.78577%0.767SS**  trans-92.7163.3-173.2-131.3179.1-173-162.33113.3
390L30.2Very low31.8Very low165 Ų165135.1 Ų135.186%0.86477%0.77SS**  trans72.2129.6156.3-59.2157.8000119
391G30.5Very low31.5Very low75 Ų75133.7 Ų133.777%0.77377%0.773SS**  trans154.5138.6159.400000114.1
392P51.6Low31.6Very low135 Ų135132.9 Ų132.988%0.87778%0.777SS**  trans-118.4143.4-156.238.9-26.9000117.8
393G31.8Very low32Very low87 Ų87130.8 Ų130.890%0.89778%0.779SS**  trans93.8158.1153.700000117.6
394G29.2Very low32.2Very low74 Ų74127.3 Ų127.376%0.76376%0.764SS**  trans116.176.5160.500000119.1
395F32.6Very low32.3Very low193 Ų193131.3 Ų131.385%0.84676%0.764SS**  trans38.2131.8136.1-85.6-104.2000123.8
396D30.9Very low32.4Very low99 Ų99134.5 Ų134.553%0.52977%0.77SS.*  trans78.1123.9133.9-84-148.3000125.3
397R27.8Very low32.7Very low207 Ų207133.4 Ų133.478%0.78177%0.774SS**  trans72.9157.9135.1-64.7178.3-161.1-131.2-0.4120.2
398L28.8Very low32.6Very low146 Ų146128.9 Ų128.976%0.76477%0.77SS**  cis-164.9113.8-27.1-110171.8000110
399G27.4Very low32.6Very low78 Ų78127.7 Ų127.780%0.80477%0.772SS**  trans45-152.2160.100000118.2
400P49Very low32.7Very low120 Ų120126 Ų12678%0.77978%0.775SS**  cis-110.8152-28.338.3-27.8000111.8
401S30.7Very low32.7Very low119 Ų119125.1 Ų125.183%0.83277%0.771SS**  151.3153.798.851.60000106.5
402S32.3Very low32.5Very low103 Ų103131.4 Ų131.472%0.7278%0.777SS**  cis-139.8149.31440.60000108.6
403L35.8Very low31.5Very low154 Ų154127.6 Ų127.681%0.80676%0.763SS**  59.1130.566.5-9676.8000113.9
404D34.4Very low31.4Very low109 Ų109129.6 Ų129.658%0.58376%0.763SS**  cis-162.1164.95.8-159.110.2000114.4
405R30.2Very low31.4Very low189 Ų189131.7 Ų131.771%0.71377%0.766SS**  trans71.6148.7158.7-71.3156.7-166.8-116.4-6.1120.3
406M30.9Very low31.4Very low164 Ų164131.3 Ų131.381%0.80877%0.769SS**  cis-160.1157.9-3.5-124.6154.7175.700108.8
407G31.2Very low31.2Very low78 Ų78129.8 Ų129.880%0.80478%0.777SS**  cis165.1152.8-7.400000112.7
408G30.1Very low31.3Very low69 Ų69128.3 Ų128.371%0.71178%0.781SS**  trans125.9106172.700000113.8
409S29Very low31.4Very low110 Ų110127 Ų12777%0.76977%0.774SS**  82.8132.563.772.70000112.8
410M31.4Very low31.3Very low173 Ų173132.6 Ų132.685%0.85277%0.771SS**  cis-144.1172.426.8-68.3176.4173.400115.3
411D30.9Very low30.3Very low145 Ų145135.3 Ų135.378%0.77578%0.776SS**  trans-31.6154.4172.1-57.2-113.5000121.3
412F27.3Very low30.1Very low207 Ų207132.9 Ų132.991%0.90877%0.77SS**  170.8142.590.5-164.6-101.1000114.8
413G30.1Very low30.2Very low55 Ų55135.2 Ų135.257%0.56777%0.774SS**  trans83.2130.9171.500000115.3
414S28.3Very low30Very low129 Ų129134 Ų13490%0.90277%0.773SS**  cis68.8126.439.1-54.70000113.3
415S30.6Very low29.7Very low118 Ų118132 Ų13283%0.82578%0.778SS**  cis-154-176.110.459.60000114.1
416M32.2Very low29.8Very low185 Ų185130.9 Ų130.991%0.91179%0.786SS**  trans-44.1158.7167.8-58.1160.5175.700114.1
417G27.6Very low29.8Very low67 Ų67129 Ų12969%0.69178%0.779SS**  cis136.6153.30.900000112.6
418M29.8Very low29.6Very low177 Ų177135.5 Ų135.587%0.87278%0.779SS**  trans66158.4178.1-101.271.3174.400115.5
419D29.2Very low29.5Very low117 Ų117141.3 Ų141.363%0.62679%0.79SS**  cis-155.9170.5-0.9-148.5-10.3000113
420R26.9Very low29.4Very low196 Ų196139.8 Ų139.874%0.7479%0.792SS**  trans67.4136.2149.6-78.1167.1-165.3-146.7-5.2124.9
421M27.1Very low29.7Very low177 Ų177138.2 Ų138.287%0.87279%0.792SS**  25.8145.7123.2-51.6166.271.100120.2
422G27.5Very low29.4Very low69 Ų69136.8 Ų136.871%0.71179%0.793SS**  cis139131.4-3.200000114.7
423N32.8Very low29.5Very low151 Ų151135.7 Ų135.781%0.80779%0.789SS**  trans67.4145.1158.1-148.514.1000121.6
424T32.8Very low29.6Very low129 Ų129139.3 Ų139.379%0.79180%0.795SS**  trans65.7149.8163.457.80000122.5
425G27.6Very low29.5Very low67 Ų67143.5 Ų143.569%0.69179%0.791SS**  trans106.9121.9174.900000112.7
426L32.4Very low29.4Very low165 Ų165146 Ų14686%0.86479%0.792SS**  cis56.2128.748.7-67.4157.3000111.7
427D32Very low29.2Very low124 Ų124140.6 Ų140.666%0.66378%0.784SS**  cis-162.5178.434.5-142.6-31.5000114.3
428R26.6Very low29.5Very low215 Ų215143 Ų14381%0.81179%0.79SS**  trans58.6110.5152.8-69.8171.3-166.4-167.9-0.1124.1
429M27Very low29.6Very low191 Ų191139.9 Ų139.994%0.94179%0.792SS**  2.1129.6115.3179.9-170.2-68.500118.7
430G27.2Very low29.6Very low78 Ų78138 Ų13880%0.80480%0.8SS**  trans172.6111.9163.800000116.7
431T37.3Very low29.6Very low140 Ų140132.5 Ų132.586%0.85981%0.805SS**  trans-69.6148.1-179.447.80000117.3
432S25.6Very low29.8Very low115 Ų115131.9 Ų131.980%0.80480%0.804SS**  trans-164.6143.8139.9-77.40000107.3
433F29.6Very low30.1Very low184 Ų184133.9 Ų133.981%0.80780%0.799SS**  59.1130.153.1-115.8-117.9000111.8
434D32Very low29.8Very low132 Ų132137.4 Ų137.471%0.70680%0.801SS**  cis-138.816429.3-103.1-83.7000113.7
435R26.5Very low29.7Very low216 Ų216140.7 Ų140.782%0.81580%0.804SS**  159.6116.5113.4-176.9169.3-106.1-156.5-4.1113.4
436M27.3Very low29.9Very low170 Ų170142.8 Ų142.884%0.83781%0.809SS**  trans31.7123.4148-50.9169.194.600118.2
437G28.2Very low30Very low72 Ų72141.1 Ų141.174%0.74281%0.81SS**  108.7146.352.900000109.3
438S33.3Very low29.8Very low119 Ų119139.1 Ų139.183%0.83282%0.82SS**  cis-162.11617.4-680000112
439A32.8Very low29.9Very low111 Ų111132 Ų13292%0.91781%0.813SS**  trans64.6150.7163.700000119.3
440G29.8Very low30.3Very low76 Ų76130.3 Ų130.378%0.78481%0.807SS**  cis168.4150.4-9.100000113.5
441G27.4Very low30.8Very low82 Ų82132 Ų13285%0.84580%0.797SS**  trans89.8124.7-179.300000113.8
442L31Very low30.4Very low164 Ų164134.8 Ų134.886%0.85979%0.792SS**  cis110.21377.3-155.577.2000114.9
443D33.1Very low30.7Very low110 Ų110136.2 Ų136.259%0.58879%0.788SS**  trans81.6119.8164.4-82.2-72000123.4
444R26.8Very low30.6Very low225 Ų225132.9 Ų132.985%0.84979%0.787SS**  105.7161.7126.6-79.9168.2-154.4-1340.8124.6
445F29.8Very low30.7Very low198 Ų198132.4 Ų132.487%0.86879%0.794SS**  trans-115.5163.3-162.1-92.3-96.7000112.9
446S31.8Very low30.9Very low112 Ų112125.4 Ų125.478%0.78379%0.79SS**  trans65.1115.2149.4-86.10000121.8
447S34.3Very low31.1Very low129 Ų129125.5 Ų125.590%0.90279%0.79SS**  trans179.5157.913831.10000109.2
448G28Very low31.4Very low83 Ų83128.5 Ų128.586%0.85679%0.789SS**  cis130.9100.9-8.400000113.9
449G30.1Very low31.4Very low65 Ų65134.7 Ų134.767%0.6779%0.794SS**  trans132.2125.3-179.500000111
450L35.4Very low31.4Very low156 Ų156138.7 Ų138.782%0.81780%0.796SS**  69.2131.863.8-81.872000111.7
451D36.6Very low31.4Very low112 Ų112138.3 Ų138.360%0.59979%0.792SS**  cis-148.5147.913.4-103.5-37.9000111
452R30.1Very low31.9Very low199 Ų199140.7 Ų140.775%0.75180%0.796SS**  56.3144.991.5-62.4-175.8-171-166.61.1116
453M30.3Very low31.9Very low146 Ų146136.7 Ų136.772%0.71980%0.795SS**  cis-167.8154.9-4.1-116170.3179.300111
454S28Very low31.7Very low113 Ų113135.3 Ų135.379%0.7981%0.806SS**  trans61165.1155.2-61.60000117.5
455S35.2Very low31.8Very low122 Ų122132 Ų13285%0.85381%0.81SS**  cis-159.2158.7-13.735.30000105.2
456G28.8Very low31.8Very low70 Ų70125.8 Ų125.872%0.72280%0.803SS**  cis139.1167.623.700000108.2
457M32.6Very low31.7Very low172 Ų172124.4 Ų124.485%0.84781%0.806SS**  trans80.7140.6167.9-12572.1-175.900121.3
458D34.2Very low31.5Very low134 Ų134126.1 Ų126.172%0.71780%0.8SS**  trans47.4114.7153.2-57.3-28.7000124.6
459R34Very low31.6Very low249 Ų249131.1 Ų131.194%0.9480%0.799SS**  -164.414396-121.4178.8178.2175.7-0.4114.9
460M33.1Very low31.7Very low195 Ų195133.4 Ų133.496%0.96179%0.792SS**  trans-104164.5165.8-73.7-178.416300111.3
461G28.9Very low31.4Very low68 Ų68135.9 Ų135.970%0.70179%0.79SS**  trans137.1111.113800000118.7
462S38.6Very low31Very low132 Ų132135.8 Ų135.892%0.92380%0.798SS**  trans57.4155.7152-55.60000120.1
463G29.7Very low31Very low81 Ų81129.1 Ų129.184%0.83579%0.792SS**  cis129.9108.9-6.300000113
464G28.8Very low31.2Very low80 Ų80129.5 Ų129.583%0.82580%0.796SS**  trans-179.5141.4178.400000117.8
465V30.5Very low31.7Very low155 Ų155131.6 Ų131.694%0.93980%0.796SS**  trans-35.6155.9162.3-174.40000115
466G28.3Very low31.8Very low69 Ų69132.6 Ų132.671%0.71179%0.791SS**  cis146.4160.2-1.400000113.1
467G30.3Very low32.1Very low83 Ų83138.6 Ų138.686%0.85679%0.792SS**  trans86.2161.6-175.200000114.1
468Q30.2Very low32Very low165 Ų165133.8 Ų133.877%0.77179%0.786SS**  cis-156128.1-7.5-173.9176.1-3200106.2
469F30Very low31.9Very low188 Ų188134.8 Ų134.883%0.82579%0.785SS**  37.7129.5104.8-84-81.9000114.7
470E31.5Very low31.8Very low113 Ų113125.4 Ų125.453%0.52877%0.766SS.*  cis-169.8154.849.5-114.7160105.800114.4
471R29.3Very low31.9Very low208 Ų208119.4 Ų119.479%0.78575%0.754SS**  trans66.1154.9147.3-65175.3-154.1-111.90.8120.2
472S28.6Very low32.4Very low110 Ų110120.1 Ų120.177%0.76974%0.742SS**  cis-166.8158.4-17.3-101.90000112
473G30.7Very low32.4Very low59 Ų59116 Ų11661%0.60871%0.71SS**  trans83.9145.6157.900000116.9
474D35Very low32.8Very low153 Ų153118.1 Ų118.182%0.81870%0.697SS**  cis-150.4128.8-11.9-77.5-63.9000107.2
475M36.8Very low32.8Very low157 Ų157117.1 Ų117.177%0.77369%0.687SS**  58.980.784.2-81.4-138.1-177.600117.2
476D37.5Very low32.9Very low143 Ų143112 Ų11277%0.76567%0.666SS**  trans-162163.8135-149.5-116.5000110.2
477R36.1Very low33Very low197 Ų197112.1 Ų112.174%0.74366%0.66SS**  -166.3170.8-75.6-95.6168.1173.1166.30.7106.1
478G29Very low33.1Very low70 Ų70110.6 Ų110.672%0.72264%0.644SS**  trans87.569.4165.600000117.5
479F32.2Very low33.7Very low156 Ų156107.5 Ų107.568%0.68465%0.647SS**  79.6113.952.4-148.9-79.4000115.3D521F479-D521 WeakPolarHBondContact CE2-OD2 3.46Å; F479-D521 VanDerWaalsContact CZ-OD2 3.24Å; F479-D521 WeakPolarHBondContact CZ-OD2 3.38Å
480G31.8Very low33.7Very low52 Ų52101.9 Ų101.954%0.53664%0.642SS.*  trans80.3136.9171.100000117
481G37Very low33.8Very low69 Ų6999.2 Ų99.271%0.71165%0.645SS**  cis172.8-164.64.300000109.4
482N38.3Very low34.6Very low83 Ų8396 Ų9644%0.44465%0.651SS.*  cis169.7141.9-23.1-97.5117.4000106.9W516 K520N482-W516 HydrophobicContact CB-CH2 4.26Å; N482-W516 HydrophobicContact CB-CZ3 4.42Å; N482-K520 VanDerWaalsContact ND2-CD 3.33Å; N482-K520 WeakPolarHBondContact ND2-CD 3.38Å; N482-K520 PolarHBondContact ND2-NZ 3.48Å
483T39.4Very low34.9Very low44 Ų4493.7 Ų93.727%0.2765%0.645SS.*  cis-160.4-177.3-7.1-44.50000107.8Y531T483-Y531 HydrophobicContact CG2-CD2 4.18Å
484F36.7Very low35.1Very low126 Ų12697 Ų9755%0.55366%0.658SS**  trans82.3145.1168.2-70-101.3000120Y531 D533F484-Y531 HydrophobicContact CB-CE2 4.45Å; F484-Y531 HydrophobicContact CD1-CD2 4.48Å; F484-Y531 AromaticContact CD1-CE2 3.44Å; F484-Y531 HydrophobicContact CD1-CE2 3.44Å; F484-Y531 VanDerWaalsContact CD1-CE2 3.44Å; F484-Y531 AromaticContact CD1-CZ 3.93Å; F484-Y531 HydrophobicContact CD2-CE2 4.4Å; F484-Y531 AromaticContact CE1-CE2 3.62Å; F484-Y531 HydrophobicContact CE1-CE2 3.62Å; F484-Y531 AromaticContact CE1-CZ 3.62Å; F484-Y531 WeakPolarHBondContact CE1-OH 3.43Å; F484-Y531 AromaticContact CG-CE2 3.84Å; F484-Y531 HydrophobicContact CG-CE2 3.84Å; F484-Y531 HydrophobicContact CZ-CE2 4.15Å; F484-D533 HydrophobicContact CE1-CB 4.44Å; F484-D533 HydrophobicContact CZ-CB 3.96Å
485G29.1Very low34.9Very low60 Ų6092.5 Ų92.562%0.61965%0.648SS**  trans126.4115.7168.900000114.8
486G32.4Very low34.9Very low48 Ų4888.4 Ų88.450%0.49565%0.646SS.*  trans-115.6167.8-175.400000115.8R137R137-G486 VanDerWaalsContact NH1-C 3.33Å; R137-G486 PolarHBondContact NH1-O 2.91Å
487A31.7Very low35Very low70 Ų7083.7 Ų83.758%0.57963%0.631SS**  trans78.2145.3-17200000115.6R137R137-A487 PolarHBondContact NH1-O 3.27Å
488G31.8Very low35.2Very low51 Ų5179.8 Ų79.853%0.52663%0.625SS.*  cis-112.8-149.9-5.700000112R500G488-R500 VanDerWaalsContact C-NH2 3.27Å; G488-R500 PolarHBondContact O-NH2 3.4Å
489A42.4Very low35.8Very low100 Ų10085.1 Ų85.183%0.82663%0.633SS**  cis-148.2167.6-12.400000108.9
490G30.1Very low36.7Very low70 Ų7084.2 Ų84.272%0.72263%0.625SS**  trans-95.3129.1175.700000112.4
491G33.4Very low37.6Very low58 Ų5886.4 Ų86.460%0.59862%0.62SS**  trans-76.9150.3159.100000111G493G491-G493 PolarHBondContact O-N 3.34Å
492P47.3Very low38.6Very low141 Ų14183.7 Ų83.792%0.91659%0.592SS**SBendtrans-8372.5-167.633.9-37.3000114.2
493G34.1Very low40.3Very low61 Ų6180.5 Ų80.563%0.62958%0.577SS**SBendtrans79.1135.5169.200000114.4G491G491-G493 PolarHBondContact O-N 3.34Å
494S34.3Very low42.5Very low128 Ų12879.6 Ų79.690%0.89557%0.569SS**SBendcis-6913719.4-59.50000117.1G496S494-G496 PolarHBondContact O-N 3.43Å
495G32.5Very low44.9Very low59 Ų5973.6 Ų73.661%0.60854%0.543SS*.  trans57.141.7153.200000117.3G497 N498G495-G497 PolarHBondContact O-N 3.15Å; G495-N498 PolarHBondContact O-N 3.27Å
496G36.6Very low47.8Very low70 Ų7073.9 Ų73.972%0.72253%0.527SS*.THydrogen-bonded Turntrans-63.528.5-175.200000117.7S494S494-G496 PolarHBondContact O-N 3.43Å
497G38.1Very low50.5Low45 Ų4571.6 Ų71.646%0.46450%0.503SS..THydrogen-bonded Turntrans-1355.7176.300000115G495 K501G495-G497 PolarHBondContact O-N 3.15Å; G497-K501 WeakPolarHBondContact O-CD 3.42Å; G497-K501 WeakPolarHBondContact O-CE 3.48Å; G497-K501 PolarHBondContact O-NZ 2.8Å
498N41.1Very low53.2Low114 Ų11472.8 Ų72.861%0.6149%0.493SS*.SBendtrans-119.4-22.2-177.1-79.3-4.5000115.8G495 R500 K501G495-N498 PolarHBondContact O-N 3.27Å; N498-R500 PolarHBondContact O-N 3.43Å; N498-R500 VanDerWaalsContact O-N 3.11Å; N498-K501 WeakPolarHBondContact O-CB 3.44Å; N498-K501 PolarHBondContact O-N 3.4Å
499M41.7Very low55.8Low182 Ų18274.2 Ų74.290%0.89749%0.489SS*.THydrogen-bonded Turntrans-74.5-1.5-174.8-162158.8-8100114.9
500R50Low57.8Low137 Ų13769.5 Ų69.552%0.51745%0.449SS..THydrogen-bonded Turntrans-96.7-20164.4-69.7-175.8171.5-167.1-5113.4G488 N498 G502G488-R500 VanDerWaalsContact C-NH2 3.27Å; G488-R500 PolarHBondContact O-NH2 3.4Å; N498-R500 PolarHBondContact O-N 3.43Å; N498-R500 VanDerWaalsContact O-N 3.11Å; R500-G502 VanDerWaalsContact C-N 3.33Å; R500-G502 PolarHBondContact O-N 3.32Å
501K52.1Low60.2Low98 Ų9866.7 Ų66.743%0.42642%0.418SS..SBendtrans-84.873.5-179-66.1176.1-177.3145.50110.6G497 N498 A580G497-K501 WeakPolarHBondContact O-CD 3.42Å; G497-K501 WeakPolarHBondContact O-CE 3.48Å; G497-K501 PolarHBondContact O-NZ 2.8Å; N498-K501 WeakPolarHBondContact O-CB 3.44Å; N498-K501 PolarHBondContact O-N 3.4Å; K501-A580 WeakPolarHBondContact CG-O 3.46Å
502G58.2Low62.3Low12 Ų1269.2 Ų69.212%0.12441%0.413CS..SBendtrans175.5-39.5176.600000112.9R500 Q504 A555R500-G502 VanDerWaalsContact C-N 3.33Å; R500-G502 PolarHBondContact O-N 3.32Å; G502-Q504 PolarHBondContact O-N 2.85Å; G502-A555 WeakPolarHBondContact O-CB 3.23Å
503C74Confident63.9Low17 Ų1769.5 Ų69.512%0.11541%0.407CS..SBendtrans-71.9-9.2-178.3-51.30000114.3R548 F549C503-R548 HydrophobicContact CB-CG 4.11Å; C503-R548 CarbonylContact O-C 3.51Å; C503-R548 WeakPolarHBondContact O-CA 3.5Å; C503-R548 WeakPolarHBondContact O-CG 2.93Å; C503-F549 PolarHBondContact O-N 3.21Å
504Q84.3Confident66.1Low25 Ų2567.5 Ų67.512%0.11738%0.381CS..EExtended strand (participates in β ladder)trans-107.3133.6-179.8-170.4165.5-66.600111G502 V547 R548 D577 A580G502-Q504 PolarHBondContact O-N 2.85Å; Q504-V547 CarbonylContact C-O 3.59Å; Q504-V547 WeakPolarHBondContact CA-O 3.36Å; Q504-R548 HydrophobicContact CB-CG 4.2Å; Q504-D577 HydrophobicContact CB-CB 4.08Å; Q504-D577 HydrophobicContact CG-CB 3.9Å; Q504-D577 PolarHBondContact NE2-OD2 3.4Å; Q504-D577 PolarHBondContact O-N 2.86Å; Q504-A580 HydrophobicContact CB-CB 4.05Å
505I88.6Confident68.5Low0 Ų064.3 Ų64.30%036%0.357CS..EExtended strand (participates in β ladder)trans-110.1147.8166.254.5167.3000110.5V507 F523 V546 V547 F549 A555 C559 V574 R575 I576I505-V507 HydrophobicContact CD1-CG2 3.87Å; I505-V507 HydrophobicContact CG1-CG2 4.31Å; I505-F523 HydrophobicContact CD1-CD1 3.48Å; I505-F523 VanDerWaalsContact CD1-CD1 3.48Å; I505-F523 HydrophobicContact CD1-CE1 3.34Å; I505-F523 HydrophobicContact CD1-CG 4.21Å; I505-F523 HydrophobicContact CD1-CZ 4.01Å; I505-V546 WeakPolarHBondContact O-CA 3.49Å; I505-V547 HydrophobicContact CD1-CB 4.03Å; I505-V547 HydrophobicContact CD1-CG2 4.43Å; I505-V547 HydrophobicContact CG1-CB 3.74Å; I505-V547 HydrophobicContact CG1-CG2 4.46Å; I505-V547 WeakPolarHBondContact CG1-O 3.39Å; I505-V547 PolarHBondContact N-O 3.3Å; I505-V547 PolarHBondContact O-N 2.79Å; I505-F549 HydrophobicContact CD1-CE2 3.73Å; I505-F549 HydrophobicContact CD1-CZ 4.39Å; I505-F549 HydrophobicContact CG1-CE2 3.96Å; I505-A555 HydrophobicContact CG2-CB 4.43Å; I505-C559 HydrophobicContact CG2-CB 3.99Å; I505-V574 HydrophobicContact CB-CG1 4Å; I505-V574 HydrophobicContact CD1-CG1 3.67Å; I505-V574 HydrophobicContact CG1-CG1 4.4Å; I505-V574 HydrophobicContact CG2-CG1 4.15Å; I505-R575 CarbonylContact C-O 3.46Å; I505-R575 VanDerWaalsContact CA-O 3.26Å; I505-R575 WeakPolarHBondContact CA-O 3.09Å; I505-I576 HydrophobicContact CG2-CD1 3.81Å
506F89.6Confident71Confident65 Ų6566 Ų6629%0.28535%0.345SS..EExtended strand (participates in β ladder)trans-102.8133.1163.3-168.4-125.9000108.9R508 C544 G545 V546 R575F506-R508 HydrophobicContact CD1-CG 3.71Å; F506-R508 HydrophobicContact CE1-CG 3.48Å; F506-R508 VanDerWaalsContact CE1-CG 3.48Å; F506-R508 HydrophobicContact CZ-CG 4.29Å; F506-C544 HydrophobicContact CE2-CB 4.16Å; F506-C544 HydrophobicContact CZ-CB 3.79Å; F506-G545 WeakPolarHBondContact CD2-O 3.48Å; F506-V546 HydrophobicContact CD2-CG1 3.72Å; F506-V546 HydrophobicContact CE2-CG1 4.31Å; F506-R575 PolarHBondContact N-O 2.75Å; F506-R575 PolarHBondContact O-N 2.96Å
507V88.9Confident73.3Confident0 Ų068.5 Ų68.50%034%0.336CS..EExtended strand (participates in β ladder)trans-118.5126.4-177.6-173.60000108.2I505 L510 L519 F523 C544 G545 V547 I572 D573 V574I505-V507 HydrophobicContact CD1-CG2 3.87Å; I505-V507 HydrophobicContact CG1-CG2 4.31Å; V507-L510 HydrophobicContact CB-CD1 4.17Å; V507-L510 HydrophobicContact CG1-CD1 3.89Å; V507-L510 HydrophobicContact CG1-CD2 3.88Å; V507-L510 HydrophobicContact CG1-CG 3.82Å; V507-L519 HydrophobicContact CB-CD1 4.45Å; V507-L519 HydrophobicContact CG1-CD1 4.33Å; V507-L519 HydrophobicContact CG2-CD1 4.42Å; V507-F523 HydrophobicContact CG1-CE2 4.11Å; V507-F523 HydrophobicContact CG1-CZ 4.11Å; V507-F523 HydrophobicContact CG2-CE1 4.35Å; V507-F523 HydrophobicContact CG2-CE2 3.76Å; V507-F523 HydrophobicContact CG2-CZ 3.61Å; V507-C544 CarbonylContact O-C 3.47Å; V507-C544 VanDerWaalsContact O-CA 3.23Å; V507-C544 WeakPolarHBondContact O-CA 3.1Å; V507-G545 PolarHBondContact N-O 2.98Å; V507-G545 PolarHBondContact O-N 3.47Å; V507-V547 HydrophobicContact CG2-CG2 4.31Å; V507-I572 HydrophobicContact CG1-CB 4.19Å; V507-I572 HydrophobicContact CG1-CD1 4.24Å; V507-D573 CarbonylContact C-O 3.57Å; V507-D573 WeakPolarHBondContact CA-O 3.49Å; V507-V574 HydrophobicContact CG1-CG2 4.25Å; V507-V574 HydrophobicContact CG2-CG1 4.29Å; V507-V574 HydrophobicContact CG2-CG2 4.42Å
508R87.6Confident75.6Confident96 Ų9670.8 Ų70.836%0.36234%0.335SS..EExtended strand (participates in β ladder)trans-120.8164-179.3-63.2-170.2-71.1-176.74.5111.4F506 L510 G543 I572 D573 R575F506-R508 HydrophobicContact CD1-CG 3.71Å; F506-R508 HydrophobicContact CE1-CG 3.48Å; F506-R508 VanDerWaalsContact CE1-CG 3.48Å; F506-R508 HydrophobicContact CZ-CG 4.29Å; R508-L510 VanDerWaalsContact C-N 3.25Å; R508-L510 PolarHBondContact O-N 3.35Å; R508-G543 CarbonylContact C-O 3.6Å; R508-I572 WeakPolarHBondContact O-CA 3.43Å; R508-D573 HydrophobicContact CB-CB 4.23Å; R508-D573 IonicContact CZ-OD1 3.39Å; R508-D573 PolarHBondContact N-O 3Å; R508-D573 IonicContact NE-OD1 3.23Å; R508-D573 PolarHBondContact NE-OD1 3.33Å; R508-D573 IonicContact NH2-OD1 3.92Å; R508-D573 PolarHBondContact NH2-OD1 3.14Å; R508-D573 IonicContact NH2-OD2 2.74Å; R508-D573 PolarHBondContact O-N 3.06Å; R508-R575 VanDerWaalsContact NH2-CZ 3.33Å; R508-R575 VanDerWaalsContact NH2-NE 3.1Å
509N86.2Confident77.8Confident80 Ų8065.4 Ų65.443%0.42831%0.306SS..SBendtrans61.527.4-178.4-161.237.7000114.7G543 E571N509-G543 PolarHBondContact N-O 2.95Å; N509-E571 PolarHBondContact ND2-O 3.01Å
510L84.4Confident79.9Confident1 Ų158.8 Ų58.81%0.00527%0.273CS..  trans-62.7151.9170.8-70.2160.4000110.9V507 R508 F514 L519 G543 L567 R570 I572V507-L510 HydrophobicContact CB-CD1 4.17Å; V507-L510 HydrophobicContact CG1-CD1 3.89Å; V507-L510 HydrophobicContact CG1-CD2 3.88Å; V507-L510 HydrophobicContact CG1-CG 3.82Å; R508-L510 VanDerWaalsContact C-N 3.25Å; R508-L510 PolarHBondContact O-N 3.35Å; L510-F514 HydrophobicContact CB-CB 4.44Å; L510-F514 HydrophobicContact CD2-CD1 3.89Å; L510-F514 HydrophobicContact CD2-CE1 4.36Å; L510-F514 HydrophobicContact CD2-CG 4.42Å; L510-L519 HydrophobicContact CD1-CD1 3.82Å; L510-L519 HydrophobicContact CD1-CD2 4.37Å; L510-L519 HydrophobicContact CD2-CD1 3.81Å; L510-L519 HydrophobicContact CG-CD1 4.47Å; L510-G543 PolarHBondContact N-O 3.47Å; L510-G543 WeakPolarHBondContact O-CA 3.37Å; L510-L567 HydrophobicContact CD2-CD1 4.11Å; L510-R570 PolarHBondContact O-NH1 3.49Å; L510-I572 HydrophobicContact CD2-CG2 3.99Å
511P80.9Confident81.7Confident11 Ų1156 Ų567%0.07127%0.268CS..  trans-55.6149.8165.3-22.232.8000111.4F514 L567 N568P511-F514 HydrophobicContact CB-CB 4.1Å; P511-F514 HydrophobicContact CB-CD2 4.26Å; P511-F514 HydrophobicContact CG-CB 4.35Å; P511-F514 HydrophobicContact CG-CD2 3.9Å; P511-F514 HydrophobicContact CG-CG 4.38Å; P511-F514 VanDerWaalsContact O-CB 3.26Å; P511-F514 WeakPolarHBondContact O-CB 3.37Å; P511-F514 PolarHBondContact O-N 3.4Å; P511-F514 VanDerWaalsContact O-N 3.16Å; P511-L567 HydrophobicContact CG-CB 4.24Å; P511-N568 HydrophobicContact CG-CB 4.09Å
512F78.9Confident83.3Confident111 Ų11152.6 Ų52.649%0.48726%0.255SS..THydrogen-bonded Turntrans-72.6-33.5-178-60.8-51.5000112.6F514 S541F512-F514 PolarHBondContact O-N 3.1Å; F512-S541 VanDerWaalsContact CD1-O 3.26Å; F512-S541 WeakPolarHBondContact CD1-O 3.43Å; F512-S541 WeakPolarHBondContact O-CB 3.08Å; F512-S541 PolarHBondContact O-OG 3.49Å
513D80.7Confident84.5Confident148 Ų14852 Ų5279%0.79125%0.249SC*.THydrogen-bonded Turntrans-73-4.7168.9-66.5-99.2000114.4T515D513-T515 PolarHBondContact O-N 3.18Å
514F79.9Confident85Confident18 Ų1854.4 Ų54.48%0.07926%0.261CS..  trans-70.7122.5179.3-135.3-107.6000109.9L510 P511 F512 M518 L519 I534 L567L510-F514 HydrophobicContact CB-CB 4.44Å; L510-F514 HydrophobicContact CD2-CD1 3.89Å; L510-F514 HydrophobicContact CD2-CE1 4.36Å; L510-F514 HydrophobicContact CD2-CG 4.42Å; P511-F514 HydrophobicContact CB-CB 4.1Å; P511-F514 HydrophobicContact CB-CD2 4.26Å; P511-F514 HydrophobicContact CG-CB 4.35Å; P511-F514 HydrophobicContact CG-CD2 3.9Å; P511-F514 HydrophobicContact CG-CG 4.38Å; P511-F514 VanDerWaalsContact O-CB 3.26Å; P511-F514 WeakPolarHBondContact O-CB 3.37Å; P511-F514 PolarHBondContact O-N 3.4Å; P511-F514 VanDerWaalsContact O-N 3.16Å; F512-F514 PolarHBondContact O-N 3.1Å; F514-M518 HydrophobicContact CD1-CB 3.91Å; F514-M518 HydrophobicContact CD2-CB 4.43Å; F514-M518 HydrophobicContact CD2-SD 4.39Å; F514-M518 HydrophobicContact CE1-CB 3.64Å; F514-M518 HydrophobicContact CE2-CB 4.18Å; F514-M518 HydrophobicContact CG-CB 4.31Å; F514-M518 HydrophobicContact CZ-CB 3.77Å; F514-L519 HydrophobicContact CD1-CB 4.36Å; F514-L519 HydrophobicContact CE1-CB 4.48Å; F514-I534 WeakPolarHBondContact O-CD1 3.23Å; F514-L567 HydrophobicContact CE1-CD1 3.92Å; F514-L567 HydrophobicContact CE2-CD1 4.18Å; F514-L567 HydrophobicContact CZ-CD1 3.68Å; F514-L567 HydrophobicContact CZ-CD2 4.26Å; F514-L567 HydrophobicContact CZ-CG 4.49Å
515T84.8Confident84.8Confident62 Ų6259.1 Ų59.138%0.3829%0.292SS..  trans-94.3158.5-177.964.50000111.7D513 K517 M518 L519D513-T515 PolarHBondContact O-N 3.18Å; T515-K517 PolarHBondContact O-N 2.69Å; T515-K517 VanDerWaalsContact O-N 3.12Å; T515-M518 HydrophobicContact CG2-SD 4.15Å; T515-M518 PolarHBondContact O-N 3.16Å; T515-M518 VanDerWaalsContact O-N 3.08Å; T515-M518 VanDerWaalsContact OG1-CG 3.32Å; T515-M518 WeakPolarHBondContact OG1-CG 3.3Å; T515-M518 PolarHBondContact OG1-N 3.04Å; T515-M518 PolarHBondContact OG1-SD 2.9Å; T515-M518 VanDerWaalsContact OG1-SD 3.34Å; T515-L519 PolarHBondContact O-N 3.1Å
516W84.8Confident84.1Confident94 Ų9460 Ų6036%0.35630%0.298SS..Hα-helixtrans-57.7-27.9175.968.1-101.6000112.3N482 K520 I534N482-W516 HydrophobicContact CB-CH2 4.26Å; N482-W516 HydrophobicContact CB-CZ3 4.42Å; W516-K520 WeakPolarHBondContact O-CB 3.43Å; W516-K520 PolarHBondContact O-N 3.17Å; W516-I534 HydrophobicContact CB-CG1 4.3Å
517K85.1Confident83.6Confident123 Ų12358 Ų5854%0.53530%0.296SS..Hα-helixtrans-69.3-47.6175.5-174.6-177.5176.5-174.30111.1T515 L519 K520 D521T515-K517 PolarHBondContact O-N 2.69Å; T515-K517 VanDerWaalsContact O-N 3.12Å; K517-L519 VanDerWaalsContact C-N 3.3Å; K517-L519 PolarHBondContact O-N 3.01Å; K517-K520 PolarHBondContact O-N 3.01Å; K517-D521 WeakPolarHBondContact O-CB 3.38Å; K517-D521 PolarHBondContact O-N 3.07Å
518M86.1Confident83.2Confident93 Ų9364.3 Ų64.346%0.45833%0.327SS..Hα-helixtrans-62.7-38.8174.5-66.2158.1170.500111.4F514 T515 D521 T522F514-M518 HydrophobicContact CD1-CB 3.91Å; F514-M518 HydrophobicContact CD2-CB 4.43Å; F514-M518 HydrophobicContact CD2-SD 4.39Å; F514-M518 HydrophobicContact CE1-CB 3.64Å; F514-M518 HydrophobicContact CE2-CB 4.18Å; F514-M518 HydrophobicContact CG-CB 4.31Å; F514-M518 HydrophobicContact CZ-CB 3.77Å; T515-M518 HydrophobicContact CG2-SD 4.15Å; T515-M518 PolarHBondContact O-N 3.16Å; T515-M518 VanDerWaalsContact O-N 3.08Å; T515-M518 VanDerWaalsContact OG1-CG 3.32Å; T515-M518 WeakPolarHBondContact OG1-CG 3.3Å; T515-M518 PolarHBondContact OG1-N 3.04Å; T515-M518 PolarHBondContact OG1-SD 2.9Å; T515-M518 VanDerWaalsContact OG1-SD 3.34Å; M518-D521 PolarHBondContact O-N 2.99Å; M518-T522 VanDerWaalsContact O-CB 3.32Å; M518-T522 WeakPolarHBondContact O-CB 3.41Å; M518-T522 PolarHBondContact O-N 3.05Å; M518-T522 PolarHBondContact O-OG1 3.24Å
519L86.7Confident83.2Confident0 Ų059.8 Ų59.80%031%0.31CS..Hα-helixtrans-61.9-49.3174.2-172.868.6000111.3V507 L510 F514 T515 K517 D521 F523 I534 V547V507-L519 HydrophobicContact CB-CD1 4.45Å; V507-L519 HydrophobicContact CG1-CD1 4.33Å; V507-L519 HydrophobicContact CG2-CD1 4.42Å; L510-L519 HydrophobicContact CD1-CD1 3.82Å; L510-L519 HydrophobicContact CD1-CD2 4.37Å; L510-L519 HydrophobicContact CD2-CD1 3.81Å; L510-L519 HydrophobicContact CG-CD1 4.47Å; F514-L519 HydrophobicContact CD1-CB 4.36Å; F514-L519 HydrophobicContact CE1-CB 4.48Å; T515-L519 PolarHBondContact O-N 3.1Å; K517-L519 VanDerWaalsContact C-N 3.3Å; K517-L519 PolarHBondContact O-N 3.01Å; L519-D521 PolarHBondContact O-N 2.88Å; L519-F523 HydrophobicContact CD1-CD2 3.7Å; L519-F523 HydrophobicContact CD1-CE2 3.59Å; L519-F523 HydrophobicContact CG-CD2 4.26Å; L519-F523 WeakPolarHBondContact O-CD2 3.39Å; L519-F523 PolarHBondContact O-N 3.04Å; L519-F523 VanDerWaalsContact O-N 3.12Å; L519-I534 HydrophobicContact CB-CD1 4.22Å; L519-I534 HydrophobicContact CD2-CD1 4.19Å; L519-I534 HydrophobicContact CD2-CG1 3.75Å; L519-V547 HydrophobicContact CD1-CG2 4.25Å; L519-V547 HydrophobicContact CD2-CG2 3.65Å; L519-V547 HydrophobicContact CG-CG2 3.68Å
520K86.5Confident83.1Confident44 Ų4460.8 Ų60.819%0.19131%0.312CS..Hα-helixtrans-56.5-50.9175176.5161.4175.71580111.2N482 W516 K517 F523 N524 V529 A532N482-K520 VanDerWaalsContact ND2-CD 3.33Å; N482-K520 WeakPolarHBondContact ND2-CD 3.38Å; N482-K520 PolarHBondContact ND2-NZ 3.48Å; W516-K520 WeakPolarHBondContact O-CB 3.43Å; W516-K520 PolarHBondContact O-N 3.17Å; K517-K520 PolarHBondContact O-N 3.01Å; K520-F523 PolarHBondContact O-N 3.1Å; K520-N524 VanDerWaalsContact O-CB 3.24Å; K520-N524 WeakPolarHBondContact O-CB 3.2Å; K520-N524 PolarHBondContact O-N 3.17Å; K520-V529 HydrophobicContact CB-CG1 4.39Å; K520-V529 HydrophobicContact CD-CB 4.42Å; K520-V529 HydrophobicContact CD-CG1 4.05Å; K520-V529 WeakPolarHBondContact CE-O 3.31Å; K520-V529 HydrophobicContact CG-CB 4.01Å; K520-V529 HydrophobicContact CG-CG1 3.77Å; K520-V529 PolarHBondContact NZ-O 2.8Å; K520-A532 HydrophobicContact CB-CB 3.8Å
521D86.7Confident83.2Confident78 Ų7862.8 Ų62.842%0.41732%0.32SS..Hα-helixtrans-59.8-49.7-175.8-163-125.1000111.8F479 K517 M518 L519 F523 N524F479-D521 WeakPolarHBondContact CE2-OD2 3.46Å; F479-D521 VanDerWaalsContact CZ-OD2 3.24Å; F479-D521 WeakPolarHBondContact CZ-OD2 3.38Å; K517-D521 WeakPolarHBondContact O-CB 3.38Å; K517-D521 PolarHBondContact O-N 3.07Å; M518-D521 PolarHBondContact O-N 2.99Å; L519-D521 PolarHBondContact O-N 2.88Å; D521-F523 VanDerWaalsContact C-N 3.34Å; D521-F523 PolarHBondContact O-N 3.48Å; D521-N524 PolarHBondContact O-N 2.83Å; D521-N524 VanDerWaalsContact O-N 3.15Å
522T85.4Confident83.5Confident26 Ų2662.2 Ų62.216%0.1632%0.316CS..Hα-helixtrans-55.5-46.7177.2-560000111.8M518 T525 M562 L567M518-T522 VanDerWaalsContact O-CB 3.32Å; M518-T522 WeakPolarHBondContact O-CB 3.41Å; M518-T522 PolarHBondContact O-N 3.05Å; M518-T522 PolarHBondContact O-OG1 3.24Å; T522-T525 WeakPolarHBondContact O-CB 3.22Å; T522-T525 PolarHBondContact O-OG1 3.27Å; T522-M562 HydrophobicContact CG2-CE 3.7Å; T522-L567 HydrophobicContact CG2-CD1 4.38Å; T522-L567 HydrophobicContact CG2-CD2 4.35Å
523F84.2Confident83.9Confident0 Ų059.5 Ų59.50%031%0.306CS..Hα-helixtrans-80-21-179.2-81.2-82.1000113.8I505 V507 L519 K520 D521 T525 C526 V529 V547 F549 A558 M562 I572 V574I505-F523 HydrophobicContact CD1-CD1 3.48Å; I505-F523 VanDerWaalsContact CD1-CD1 3.48Å; I505-F523 HydrophobicContact CD1-CE1 3.34Å; I505-F523 HydrophobicContact CD1-CG 4.21Å; I505-F523 HydrophobicContact CD1-CZ 4.01Å; V507-F523 HydrophobicContact CG1-CE2 4.11Å; V507-F523 HydrophobicContact CG1-CZ 4.11Å; V507-F523 HydrophobicContact CG2-CE1 4.35Å; V507-F523 HydrophobicContact CG2-CE2 3.76Å; V507-F523 HydrophobicContact CG2-CZ 3.61Å; L519-F523 HydrophobicContact CD1-CD2 3.7Å; L519-F523 HydrophobicContact CD1-CE2 3.59Å; L519-F523 HydrophobicContact CG-CD2 4.26Å; L519-F523 WeakPolarHBondContact O-CD2 3.39Å; L519-F523 PolarHBondContact O-N 3.04Å; L519-F523 VanDerWaalsContact O-N 3.12Å; K520-F523 PolarHBondContact O-N 3.1Å; D521-F523 VanDerWaalsContact C-N 3.34Å; D521-F523 PolarHBondContact O-N 3.48Å; F523-T525 PolarHBondContact O-N 2.94Å; F523-C526 PolarHBondContact O-N 2.76Å; F523-V529 HydrophobicContact CB-CG2 4.02Å; F523-V547 HydrophobicContact CB-CG1 4.17Å; F523-V547 HydrophobicContact CD2-CG2 4.22Å; F523-V547 HydrophobicContact CG-CG2 4.42Å; F523-F549 HydrophobicContact CB-CZ 3.96Å; F523-F549 HydrophobicContact CD1-CZ 4.05Å; F523-F549 HydrophobicContact CG-CZ 4.46Å; F523-F549 WeakPolarHBondContact O-CE1 3.41Å; F523-A558 HydrophobicContact CD1-CB 4.29Å; F523-M562 HydrophobicContact CD1-CB 4.43Å; F523-M562 HydrophobicContact CD1-CG 4.14Å; F523-M562 HydrophobicContact CE1-CB 3.58Å; F523-M562 HydrophobicContact CE1-CG 3.77Å; F523-M562 HydrophobicContact CZ-CB 3.99Å; F523-M562 HydrophobicContact CZ-CG 4.48Å; F523-I572 HydrophobicContact CE2-CD1 4.22Å; F523-I572 HydrophobicContact CZ-CD1 3.91Å; F523-V574 HydrophobicContact CE1-CG1 4.16Å; F523-V574 HydrophobicContact CE1-CG2 4.15Å; F523-V574 HydrophobicContact CZ-CG1 4.39Å; F523-V574 HydrophobicContact CZ-CG2 3.77Å
524N83.9Confident84.3Confident68 Ų6852.8 Ų52.836%0.36427%0.271SS..Hα-helixtrans-65.3-23.2175.7-161.977.7000112.5K520 D521 C526 G527 V529K520-N524 VanDerWaalsContact O-CB 3.24Å; K520-N524 WeakPolarHBondContact O-CB 3.2Å; K520-N524 PolarHBondContact O-N 3.17Å; D521-N524 PolarHBondContact O-N 2.83Å; D521-N524 VanDerWaalsContact O-N 3.15Å; N524-C526 PolarHBondContact O-N 3.41Å; N524-G527 WeakPolarHBondContact CA-O 3.45Å; N524-G527 PolarHBondContact O-N 2.92Å; N524-V529 HydrophobicContact CB-CG2 4.3Å; N524-V529 PolarHBondContact OD1-N 2.96Å
525T80.3Confident84.4Confident123 Ų12358 Ų5876%0.75529%0.293SS*.THydrogen-bonded Turntrans-59.4-29.1170.1-49.70000112.8T522 F523T522-T525 WeakPolarHBondContact O-CB 3.22Å; T522-T525 PolarHBondContact O-OG1 3.27Å; F523-T525 PolarHBondContact O-N 2.94Å
526C75.3Confident84.3Confident20 Ų2060.7 Ų60.714%0.13530%0.303CS..THydrogen-bonded Turntrans-87.2-15.9174.6-65.60000113.6F523 N524 T554 A558 M562F523-C526 PolarHBondContact O-N 2.76Å; N524-C526 PolarHBondContact O-N 3.41Å; C526-T554 WeakPolarHBondContact O-CG2 3.11Å; C526-A558 HydrophobicContact CB-CB 3.61Å; C526-M562 VanDerWaalsContact SG-CG 3.53Å; C526-M562 VanDerWaalsContact SG-SD 3.66Å
527G78.6Confident83.7Confident23 Ų2360.7 Ų60.724%0.23731%0.307CS..SBendtrans146.3-179.5173.800000113.6N524 V529 F549N524-G527 WeakPolarHBondContact CA-O 3.45Å; N524-G527 PolarHBondContact O-N 2.92Å; G527-V529 PolarHBondContact O-N 3.25Å; G527-F549 WeakPolarHBondContact O-CE1 3.32Å
528M80.7Confident82.9Confident131 Ų13162.5 Ų62.565%0.64532%0.322SS*.  trans-58.3106.3-165.6-167.465.8159.800114Q530 F549 D550M528-Q530 PolarHBondContact O-N 3.04Å; M528-F549 WeakPolarHBondContact O-CA 3.49Å; M528-D550 HydrophobicContact CB-CB 4.2Å; M528-D550 HydrophobicContact CG-CB 4.4Å; M528-D550 PolarHBondContact O-N 2.9Å
529V87.3Confident82.1Confident2 Ų261.6 Ų61.61%0.01234%0.337CS..EExtended strand (participates in β ladder)trans-86.9104.9176.2174.40000110.4K520 F523 N524 G527 Y531 A532 V547 F549K520-V529 HydrophobicContact CB-CG1 4.39Å; K520-V529 HydrophobicContact CD-CB 4.42Å; K520-V529 HydrophobicContact CD-CG1 4.05Å; K520-V529 WeakPolarHBondContact CE-O 3.31Å; K520-V529 HydrophobicContact CG-CB 4.01Å; K520-V529 HydrophobicContact CG-CG1 3.77Å; K520-V529 PolarHBondContact NZ-O 2.8Å; F523-V529 HydrophobicContact CB-CG2 4.02Å; N524-V529 HydrophobicContact CB-CG2 4.3Å; N524-V529 PolarHBondContact OD1-N 2.96Å; G527-V529 PolarHBondContact O-N 3.25Å; V529-Y531 VanDerWaalsContact CG1-O 3.31Å; V529-Y531 WeakPolarHBondContact CG1-O 3.39Å; V529-A532 HydrophobicContact CG1-CB 4.25Å; V529-V547 HydrophobicContact CB-CG1 4.32Å; V529-V547 HydrophobicContact CG1-CG1 3.5Å; V529-V547 VanDerWaalsContact CG1-CG1 3.5Å; V529-V547 HydrophobicContact CG2-CG1 3.81Å; V529-F549 HydrophobicContact CG2-CD1 3.88Å; V529-F549 HydrophobicContact CG2-CE1 3.51Å; V529-F549 HydrophobicContact CG2-CZ 4.08Å
530Q84.8Confident81.3Confident100 Ų10069.5 Ų69.547%0.46737%0.372SS..EExtended strand (participates in β ladder)trans-65.4-43.4171.3-71.2-164.110.800111.5M528 R548 D550M528-Q530 PolarHBondContact O-N 3.04Å; Q530-R548 PolarHBondContact N-O 3.26Å; Q530-D550 HydrophobicContact CG-CB 4.3Å; Q530-D550 PolarHBondContact NE2-OD2 2.98Å
531Y84.9Confident80.8Confident43 Ų4368.6 Ų68.617%0.16937%0.371CS..EExtended strand (participates in β ladder)trans-141.6139.3-169.1-179.8-83.2000111.5T483 F484 V529 D533 V546 V547 R548T483-Y531 HydrophobicContact CG2-CD2 4.18Å; F484-Y531 HydrophobicContact CB-CE2 4.45Å; F484-Y531 HydrophobicContact CD1-CD2 4.48Å; F484-Y531 AromaticContact CD1-CE2 3.44Å; F484-Y531 HydrophobicContact CD1-CE2 3.44Å; F484-Y531 VanDerWaalsContact CD1-CE2 3.44Å; F484-Y531 AromaticContact CD1-CZ 3.93Å; F484-Y531 HydrophobicContact CD2-CE2 4.4Å; F484-Y531 AromaticContact CE1-CE2 3.62Å; F484-Y531 HydrophobicContact CE1-CE2 3.62Å; F484-Y531 AromaticContact CE1-CZ 3.62Å; F484-Y531 WeakPolarHBondContact CE1-OH 3.43Å; F484-Y531 AromaticContact CG-CE2 3.84Å; F484-Y531 HydrophobicContact CG-CE2 3.84Å; F484-Y531 HydrophobicContact CZ-CE2 4.15Å; V529-Y531 VanDerWaalsContact CG1-O 3.31Å; V529-Y531 WeakPolarHBondContact CG1-O 3.39Å; Y531-D533 HydrophobicContact CE1-CB 3.63Å; Y531-V546 HydrophobicContact CE1-CG2 3.97Å; Y531-V547 CarbonylContact O-C 3.48Å; Y531-V547 WeakPolarHBondContact O-CA 3.47Å; Y531-V547 WeakPolarHBondContact O-CG1 3.37Å; Y531-R548 PolarHBondContact N-O 3.49Å; Y531-R548 PolarHBondContact O-N 2.94Å
532A88.7Confident80.4Confident0 Ų069.2 Ų69.20%037%0.37CS..EExtended strand (participates in β ladder)trans-144.8138168.400000109.5K520 V529 V546 V547K520-A532 HydrophobicContact CB-CB 3.8Å; V529-A532 HydrophobicContact CG1-CB 4.25Å; A532-V546 WeakPolarHBondContact CA-O 3.41Å; A532-V547 HydrophobicContact CB-CG1 4.4Å; A532-V547 HydrophobicContact CB-CG2 4.3Å
533D86.9Confident80.2Confident53 Ų5368.1 Ų68.128%0.28336%0.364SS..EExtended strand (participates in β ladder)trans-146.5153.1178.8-178.938.8000110.6F484 Y531 G545 V546F484-D533 HydrophobicContact CE1-CB 4.44Å; F484-D533 HydrophobicContact CZ-CB 3.96Å; Y531-D533 HydrophobicContact CE1-CB 3.63Å; D533-G545 CarbonylContact O-C 3.55Å; D533-G545 WeakPolarHBondContact O-CA 3.47Å; D533-V546 HydrophobicContact CB-CG2 3.98Å; D533-V546 PolarHBondContact N-O 2.67Å; D533-V546 PolarHBondContact O-N 3.25Å
534I88.2Confident80.3Confident8 Ų869.4 Ų69.44%0.04137%0.372CS..EExtended strand (participates in β ladder)trans-122.9125.6180-71.2-174.7000109.6F514 W516 L519 M536F514-I534 WeakPolarHBondContact O-CD1 3.23Å; W516-I534 HydrophobicContact CB-CG1 4.3Å; L519-I534 HydrophobicContact CB-CD1 4.22Å; L519-I534 HydrophobicContact CD2-CD1 4.19Å; L519-I534 HydrophobicContact CD2-CG1 3.75Å; I534-M536 PolarHBondContact O-N 3.13Å
535K83.6Confident80.5Confident127 Ų12766.2 Ų66.255%0.55236%0.355SS*.EExtended strand (participates in β ladder)trans-70.9106.9179.3-172.1167.8-175.4170.80109.5K542 C544K535-K542 HydrophobicContact CG-CG 4.47Å; K535-K542 WeakPolarHBondContact O-CB 3.24Å; K535-K542 WeakPolarHBondContact O-CG 3.41Å; K535-K542 PolarHBondContact O-N 3.24Å; K535-C544 PolarHBondContact N-O 3.37Å
536M82.4Confident81Confident119 Ų11961.7 Ų61.759%0.58633%0.327SS*.EExtended strand (participates in β ladder)trans-89.8153.4170.2-59.5-178.3-174.400110.7I534 K540I534-M536 PolarHBondContact O-N 3.13Å; M536-K540 CarbonylContact C-O 3.58Å; M536-K540 WeakPolarHBondContact CA-O 3.36Å
537E72.3Confident81.7Confident94 Ų9460.7 Ų60.744%0.43932%0.321SS..EExtended strand (participates in β ladder)trans-144.3131.7170.1-173170.692.500108.3G539 K540 K542E537-G539 PolarHBondContact O-N 3.31Å; E537-G539 VanDerWaalsContact O-N 3.11Å; E537-K540 PolarHBondContact N-O 3.12Å; E537-K540 PolarHBondContact O-N 3.1Å; E537-K540 VanDerWaalsContact O-O 3.06Å; E537-K542 HydrophobicContact CB-CD 3.72Å; E537-K542 HydrophobicContact CB-CG 3.71Å; E537-K542 VanDerWaalsContact CD-CE 3.44Å; E537-K542 HydrophobicContact CG-CD 4.44Å; E537-K542 WeakPolarHBondContact OE1-CE 3.42Å; E537-K542 IonicContact OE1-NZ 2.73Å; E537-K542 PolarHBondContact OE1-NZ 3.02Å; E537-K542 WeakPolarHBondContact OE2-CD 3.33Å; E537-K542 WeakPolarHBondContact OE2-CE 3.26Å; E537-K542 IonicContact OE2-NZ 3.77Å; E537-K542 PolarHBondContact OE2-NZ 2.92Å
538N67.4Low82.2Confident160 Ų16063.6 Ų63.686%0.85633%0.325SS*.THydrogen-bonded Turntrans4939-178.1-57.4-8.3000113.7K540N538-K540 VanDerWaalsContact C-N 3.3Å; N538-K540 PolarHBondContact O-N 2.93Å
539G69.9Low82.6Confident75 Ų7557.4 Ų57.477%0.77329%0.294SS*.THydrogen-bonded Turntrans76.45.8-179.400000115.7E537E537-G539 PolarHBondContact O-N 3.31Å; E537-G539 VanDerWaalsContact O-N 3.11Å
540K68.9Low82.4Confident166 Ų16660.9 Ų60.972%0.72231%0.313SS*.EExtended strand (participates in β ladder)trans-120.9139.6178.3-63.4-178-179.8-1800110.9M536 E537 N538 K542M536-K540 CarbonylContact C-O 3.58Å; M536-K540 WeakPolarHBondContact CA-O 3.36Å; E537-K540 PolarHBondContact N-O 3.12Å; E537-K540 PolarHBondContact O-N 3.1Å; E537-K540 VanDerWaalsContact O-O 3.06Å; N538-K540 VanDerWaalsContact C-N 3.3Å; N538-K540 PolarHBondContact O-N 2.93Å; K540-K542 PolarHBondContact O-N 3.47Å
541S76.9Confident82.3Confident25 Ų2559.2 Ų59.218%0.17531%0.307CS..EExtended strand (participates in β ladder)trans-60.9132.1175.1-50.20000110.5F512 G543F512-S541 VanDerWaalsContact CD1-O 3.26Å; F512-S541 WeakPolarHBondContact CD1-O 3.43Å; F512-S541 WeakPolarHBondContact O-CB 3.08Å; F512-S541 PolarHBondContact O-OG 3.49Å; S541-G543 PolarHBondContact O-N 2.91Å; S541-G543 VanDerWaalsContact O-N 3.13Å
542K78.6Confident82.2Confident91 Ų9159.9 Ų59.940%0.39632%0.317SS..EExtended strand (participates in β ladder)trans-75.47.3175.2-58.5-147.885.2165.90114.1K535 E537 K540 C544K535-K542 HydrophobicContact CG-CG 4.47Å; K535-K542 WeakPolarHBondContact O-CB 3.24Å; K535-K542 WeakPolarHBondContact O-CG 3.41Å; K535-K542 PolarHBondContact O-N 3.24Å; E537-K542 HydrophobicContact CB-CD 3.72Å; E537-K542 HydrophobicContact CB-CG 3.71Å; E537-K542 VanDerWaalsContact CD-CE 3.44Å; E537-K542 HydrophobicContact CG-CD 4.44Å; E537-K542 WeakPolarHBondContact OE1-CE 3.42Å; E537-K542 IonicContact OE1-NZ 2.73Å; E537-K542 PolarHBondContact OE1-NZ 3.02Å; E537-K542 WeakPolarHBondContact OE2-CD 3.33Å; E537-K542 WeakPolarHBondContact OE2-CE 3.26Å; E537-K542 IonicContact OE2-NZ 3.77Å; E537-K542 PolarHBondContact OE2-NZ 2.92Å; K540-K542 PolarHBondContact O-N 3.47Å; K542-C544 PolarHBondContact O-N 3.44Å
543G81.6Confident82Confident3 Ų366.5 Ų66.53%0.03135%0.348CS..EExtended strand (participates in β ladder)trans65.821.7-168.900000113.2R508 N509 L510 S541R508-G543 CarbonylContact C-O 3.6Å; N509-G543 PolarHBondContact N-O 2.95Å; L510-G543 PolarHBondContact N-O 3.47Å; L510-G543 WeakPolarHBondContact O-CA 3.37Å; S541-G543 PolarHBondContact O-N 2.91Å; S541-G543 VanDerWaalsContact O-N 3.13Å
544C85.5Confident81.9Confident26 Ų2664.5 Ų64.518%0.17634%0.337CS..EExtended strand (participates in β ladder)trans-135.3140-175.9-65.10000111F506 V507 K535 K542F506-C544 HydrophobicContact CE2-CB 4.16Å; F506-C544 HydrophobicContact CZ-CB 3.79Å; V507-C544 CarbonylContact O-C 3.47Å; V507-C544 VanDerWaalsContact O-CA 3.23Å; V507-C544 WeakPolarHBondContact O-CA 3.1Å; K535-C544 PolarHBondContact N-O 3.37Å; K542-C544 PolarHBondContact O-N 3.44Å
545G88.8Confident81.8Confident1 Ų164.1 Ų64.11%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-148.7164.817800000113.2F506 V507 D533F506-G545 WeakPolarHBondContact CD2-O 3.48Å; V507-G545 PolarHBondContact N-O 2.98Å; V507-G545 PolarHBondContact O-N 3.47Å; D533-G545 CarbonylContact O-C 3.55Å; D533-G545 WeakPolarHBondContact O-CA 3.47Å
546V89.9Confident81.8Confident28 Ų2862 Ų6217%0.1733%0.327CS..EExtended strand (participates in β ladder)trans-113.5139.9172.9-75.60000109.4I505 F506 Y531 A532 D533I505-V546 WeakPolarHBondContact O-CA 3.49Å; F506-V546 HydrophobicContact CD2-CG1 3.72Å; F506-V546 HydrophobicContact CE2-CG1 4.31Å; Y531-V546 HydrophobicContact CE1-CG2 3.97Å; A532-V546 WeakPolarHBondContact CA-O 3.41Å; D533-V546 HydrophobicContact CB-CG2 3.98Å; D533-V546 PolarHBondContact N-O 2.67Å; D533-V546 PolarHBondContact O-N 3.25Å
547V90.7Very high82Confident0 Ų063.6 Ų63.60%033%0.327CS..EExtended strand (participates in β ladder)trans-130.6128.8173.5-1720000108.1Q504 I505 V507 L519 F523 V529 Y531 A532 F549Q504-V547 CarbonylContact C-O 3.59Å; Q504-V547 WeakPolarHBondContact CA-O 3.36Å; I505-V547 HydrophobicContact CD1-CB 4.03Å; I505-V547 HydrophobicContact CD1-CG2 4.43Å; I505-V547 HydrophobicContact CG1-CB 3.74Å; I505-V547 HydrophobicContact CG1-CG2 4.46Å; I505-V547 WeakPolarHBondContact CG1-O 3.39Å; I505-V547 PolarHBondContact N-O 3.3Å; I505-V547 PolarHBondContact O-N 2.79Å; V507-V547 HydrophobicContact CG2-CG2 4.31Å; L519-V547 HydrophobicContact CD1-CG2 4.25Å; L519-V547 HydrophobicContact CD2-CG2 3.65Å; L519-V547 HydrophobicContact CG-CG2 3.68Å; F523-V547 HydrophobicContact CB-CG1 4.17Å; F523-V547 HydrophobicContact CD2-CG2 4.22Å; F523-V547 HydrophobicContact CG-CG2 4.42Å; V529-V547 HydrophobicContact CB-CG1 4.32Å; V529-V547 HydrophobicContact CG1-CG1 3.5Å; V529-V547 VanDerWaalsContact CG1-CG1 3.5Å; V529-V547 HydrophobicContact CG2-CG1 3.81Å; Y531-V547 CarbonylContact O-C 3.48Å; Y531-V547 WeakPolarHBondContact O-CA 3.47Å; Y531-V547 WeakPolarHBondContact O-CG1 3.37Å; A532-V547 HydrophobicContact CB-CG1 4.4Å; A532-V547 HydrophobicContact CB-CG2 4.3Å; V547-F549 HydrophobicContact CG1-CE2 4.25Å; V547-F549 HydrophobicContact CG1-CZ 4.44Å
548R88.7Confident82.6Confident84 Ų8459.1 Ų59.132%0.31731%0.306SS..EExtended strand (participates in β ladder)trans-111.6123.8172.2-157.4-161.3-60.81491.9110.1C503 Q504 Q530 Y531C503-R548 HydrophobicContact CB-CG 4.11Å; C503-R548 CarbonylContact O-C 3.51Å; C503-R548 WeakPolarHBondContact O-CA 3.5Å; C503-R548 WeakPolarHBondContact O-CG 2.93Å; Q504-R548 HydrophobicContact CB-CG 4.2Å; Q530-R548 PolarHBondContact N-O 3.26Å; Y531-R548 PolarHBondContact N-O 3.49Å; Y531-R548 PolarHBondContact O-N 2.94Å
549F87.9Confident83.5Confident1 Ų152.4 Ų52.40%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-85.2168.5170.9-67.1-87.3000111.2C503 I505 F523 G527 M528 V529 V547 T554 A555 A558C503-F549 PolarHBondContact O-N 3.21Å; I505-F549 HydrophobicContact CD1-CE2 3.73Å; I505-F549 HydrophobicContact CD1-CZ 4.39Å; I505-F549 HydrophobicContact CG1-CE2 3.96Å; F523-F549 HydrophobicContact CB-CZ 3.96Å; F523-F549 HydrophobicContact CD1-CZ 4.05Å; F523-F549 HydrophobicContact CG-CZ 4.46Å; F523-F549 WeakPolarHBondContact O-CE1 3.41Å; G527-F549 WeakPolarHBondContact O-CE1 3.32Å; M528-F549 WeakPolarHBondContact O-CA 3.49Å; V529-F549 HydrophobicContact CG2-CD1 3.88Å; V529-F549 HydrophobicContact CG2-CE1 3.51Å; V529-F549 HydrophobicContact CG2-CZ 4.08Å; V547-F549 HydrophobicContact CG1-CE2 4.25Å; V547-F549 HydrophobicContact CG1-CZ 4.44Å; F549-T554 HydrophobicContact CB-CG2 4.37Å; F549-T554 HydrophobicContact CD1-CG2 3.55Å; F549-T554 HydrophobicContact CE1-CG2 4.04Å; F549-T554 HydrophobicContact CG-CG2 4.1Å; F549-A555 HydrophobicContact CB-CB 4.21Å; F549-A555 HydrophobicContact CD2-CB 3.58Å; F549-A555 HydrophobicContact CE2-CB 4.33Å; F549-A555 HydrophobicContact CG-CB 4.2Å; F549-A558 HydrophobicContact CE1-CB 4.29Å; F549-A558 HydrophobicContact CE2-CB 3.72Å; F549-A558 HydrophobicContact CZ-CB 3.44Å; F549-A558 VanDerWaalsContact CZ-CB 3.44Å
550D84.5Confident84.1Confident75 Ų7557.8 Ų57.840%0.40127%0.268SS..SBendtrans-66.1-56167.9-166.3-106.2000111.6M528 Q530M528-D550 HydrophobicContact CB-CB 4.2Å; M528-D550 HydrophobicContact CG-CB 4.4Å; M528-D550 PolarHBondContact O-N 2.9Å; Q530-D550 HydrophobicContact CG-CB 4.3Å; Q530-D550 PolarHBondContact NE2-OD2 2.98Å
551N82.8Confident84.9Confident64 Ų6455.4 Ų55.434%0.34226%0.264SS..SBendtrans-104.1144-174.3-26.392.2000111.7T554 A555N551-T554 WeakPolarHBondContact O-CB 3.49Å; N551-T554 PolarHBondContact O-N 3.34Å; N551-T554 PolarHBondContact OD1-OG1 3.09Å; N551-A555 PolarHBondContact O-N 2.99Å
552P82.8Confident85.2Confident58 Ų5854.9 Ų54.938%0.37726%0.259SS..Hα-helixtrans-67.5-36.4178.127.1-32.9000112.2T554 A555 E556P552-T554 VanDerWaalsContact C-N 3.25Å; P552-T554 PolarHBondContact O-N 3.21Å; P552-A555 WeakPolarHBondContact O-CB 3.39Å; P552-A555 PolarHBondContact O-N 3.09Å; P552-A555 VanDerWaalsContact O-N 3.13Å; P552-E556 PolarHBondContact O-N 2.99Å
553E83.8Confident85.5Confident139 Ų13954.3 Ų54.365%0.6526%0.26SS*.Hα-helixtrans-62.2-34.5176.4-61.3173.388.800112.3R557E553-R557 VanDerWaalsContact O-CB 3.26Å; E553-R557 WeakPolarHBondContact O-CB 3.32Å; E553-R557 PolarHBondContact O-N 2.84Å
554T85.1Confident85.5Confident11 Ų1156 Ų567%0.06728%0.278CS..Hα-helixtrans-67.6-43.5174.4-56.40000110.5C526 F549 N551 P552 R557 A558C526-T554 WeakPolarHBondContact O-CG2 3.11Å; F549-T554 HydrophobicContact CB-CG2 4.37Å; F549-T554 HydrophobicContact CD1-CG2 3.55Å; F549-T554 HydrophobicContact CE1-CG2 4.04Å; F549-T554 HydrophobicContact CG-CG2 4.1Å; N551-T554 WeakPolarHBondContact O-CB 3.49Å; N551-T554 PolarHBondContact O-N 3.34Å; N551-T554 PolarHBondContact OD1-OG1 3.09Å; P552-T554 VanDerWaalsContact C-N 3.25Å; P552-T554 PolarHBondContact O-N 3.21Å; T554-R557 PolarHBondContact O-N 3.33Å; T554-A558 VanDerWaalsContact O-CB 3.3Å; T554-A558 WeakPolarHBondContact O-CB 3.41Å; T554-A558 PolarHBondContact O-N 3.01Å
555A85.2Confident85.4Confident0 Ų059.5 Ų59.50%029%0.29CS..Hα-helixtrans-63.9-41.317500000112.7G502 I505 F549 N551 P552 C559 I576G502-A555 WeakPolarHBondContact O-CB 3.23Å; I505-A555 HydrophobicContact CG2-CB 4.43Å; F549-A555 HydrophobicContact CB-CB 4.21Å; F549-A555 HydrophobicContact CD2-CB 3.58Å; F549-A555 HydrophobicContact CE2-CB 4.33Å; F549-A555 HydrophobicContact CG-CB 4.2Å; N551-A555 PolarHBondContact O-N 2.99Å; P552-A555 WeakPolarHBondContact O-CB 3.39Å; P552-A555 PolarHBondContact O-N 3.09Å; P552-A555 VanDerWaalsContact O-N 3.13Å; A555-C559 WeakPolarHBondContact O-CB 3.37Å; A555-C559 PolarHBondContact O-N 2.97Å; A555-I576 HydrophobicContact CB-CD1 4.23Å
556E85.1Confident85Confident82 Ų8267.3 Ų67.338%0.38332%0.319SS..Hα-helixtrans-64.1-43.5173.7-78.1-159.265.400112.6P552 C559 R560 I576P552-E556 PolarHBondContact O-N 2.99Å; E556-C559 WeakPolarHBondContact O-CB 3.48Å; E556-C559 PolarHBondContact O-N 2.64Å; E556-R560 WeakPolarHBondContact O-CG 3.29Å; E556-R560 PolarHBondContact O-N 3.27Å; E556-R560 IonicContact OE1-CZ 3.08Å; E556-R560 IonicContact OE1-NE 3.16Å; E556-R560 IonicContact OE1-NH2 2.71Å; E556-R560 PolarHBondContact OE1-NH2 3.11Å; E556-I576 HydrophobicContact CG-CD1 4.02Å; E556-I576 HydrophobicContact CG-CG1 4.34Å
557R84.9Confident84.2Confident152 Ų15266.8 Ų66.857%0.57432%0.315SS*.Hα-helixtrans-63.9-45.1177.7-163.7-171.6-47.1163.78.2111.2E553 T554 C559 R560 N561E553-R557 VanDerWaalsContact O-CB 3.26Å; E553-R557 WeakPolarHBondContact O-CB 3.32Å; E553-R557 PolarHBondContact O-N 2.84Å; T554-R557 PolarHBondContact O-N 3.33Å; R557-C559 VanDerWaalsContact C-N 3.34Å; R557-C559 PolarHBondContact O-N 3.35Å; R557-R560 PolarHBondContact O-N 3.02Å; R557-N561 VanDerWaalsContact O-CB 3.24Å; R557-N561 WeakPolarHBondContact O-CB 3.35Å; R557-N561 PolarHBondContact O-N 3.43Å
558A85.5Confident83.2Confident0 Ų073.4 Ų73.40%035%0.35CS..Hα-helixtrans-60.5-42.4172.800000111.8F523 C526 F549 T554 R560 N561 M562F523-A558 HydrophobicContact CD1-CB 4.29Å; C526-A558 HydrophobicContact CB-CB 3.61Å; F549-A558 HydrophobicContact CE1-CB 4.29Å; F549-A558 HydrophobicContact CE2-CB 3.72Å; F549-A558 HydrophobicContact CZ-CB 3.44Å; F549-A558 VanDerWaalsContact CZ-CB 3.44Å; T554-A558 VanDerWaalsContact O-CB 3.3Å; T554-A558 WeakPolarHBondContact O-CB 3.41Å; T554-A558 PolarHBondContact O-N 3.01Å; A558-R560 VanDerWaalsContact C-N 3.34Å; A558-R560 PolarHBondContact O-N 3.44Å; A558-N561 PolarHBondContact O-N 3.3Å; A558-M562 VanDerWaalsContact O-CB 3.23Å; A558-M562 WeakPolarHBondContact O-CB 3.37Å; A558-M562 WeakPolarHBondContact O-CG 3.39Å; A558-M562 PolarHBondContact O-N 3.46Å
559C85.6Confident82.5Confident19 Ų1972 Ų7213%0.12836%0.363CS..Hα-helixtrans-61.7-39.4177-173.90000112.6I505 A555 E556 R557 N563 V574 R575 I576I505-C559 HydrophobicContact CG2-CB 3.99Å; A555-C559 WeakPolarHBondContact O-CB 3.37Å; A555-C559 PolarHBondContact O-N 2.97Å; E556-C559 WeakPolarHBondContact O-CB 3.48Å; E556-C559 PolarHBondContact O-N 2.64Å; R557-C559 VanDerWaalsContact C-N 3.34Å; R557-C559 PolarHBondContact O-N 3.35Å; C559-N563 WeakPolarHBondContact O-CB 3.18Å; C559-V574 HydrophobicContact CB-CG1 4.28Å; C559-V574 PolarHBondContact SG-O 3.13Å; C559-R575 VanDerWaalsContact SG-CA 3.51Å; C559-I576 HydrophobicContact CB-CD1 3.95Å; C559-I576 HydrophobicContact CB-CG1 4.25Å; C559-I576 PolarHBondContact SG-N 3.49Å
560R84Confident82Confident188 Ų18876 Ų7671%0.70938%0.377SS*.Hα-helixtrans-77.2-36.8178.4-64.1173.9-153.8-174.77.5112.6E556 R557 A558E556-R560 WeakPolarHBondContact O-CG 3.29Å; E556-R560 PolarHBondContact O-N 3.27Å; E556-R560 IonicContact OE1-CZ 3.08Å; E556-R560 IonicContact OE1-NE 3.16Å; E556-R560 IonicContact OE1-NH2 2.71Å; E556-R560 PolarHBondContact OE1-NH2 3.11Å; R557-R560 PolarHBondContact O-N 3.02Å; A558-R560 VanDerWaalsContact C-N 3.34Å; A558-R560 PolarHBondContact O-N 3.44Å
561N84.8Confident82Confident117 Ų11777 Ų7763%0.62638%0.38SS*.Hα-helixtrans-88.1-28.3-173.1-165.878.2000114.3R557 A558R557-N561 VanDerWaalsContact O-CB 3.24Å; R557-N561 WeakPolarHBondContact O-CB 3.35Å; R557-N561 PolarHBondContact O-N 3.43Å; A558-N561 PolarHBondContact O-N 3.3Å
562M82.8Confident82.2Confident14 Ų1474 Ų747%0.06936%0.364CS..Hα-helixtrans-100.9-10.4-177.8-55.5-59-73.100113.4T522 F523 C526 A558 G564 F565 I572 V574T522-M562 HydrophobicContact CG2-CE 3.7Å; F523-M562 HydrophobicContact CD1-CB 4.43Å; F523-M562 HydrophobicContact CD1-CG 4.14Å; F523-M562 HydrophobicContact CE1-CB 3.58Å; F523-M562 HydrophobicContact CE1-CG 3.77Å; F523-M562 HydrophobicContact CZ-CB 3.99Å; F523-M562 HydrophobicContact CZ-CG 4.48Å; C526-M562 VanDerWaalsContact SG-CG 3.53Å; C526-M562 VanDerWaalsContact SG-SD 3.66Å; A558-M562 VanDerWaalsContact O-CB 3.23Å; A558-M562 WeakPolarHBondContact O-CB 3.37Å; A558-M562 WeakPolarHBondContact O-CG 3.39Å; A558-M562 PolarHBondContact O-N 3.46Å; M562-G564 PolarHBondContact O-N 3.4Å; M562-F565 HydrophobicContact CE-CD1 4.03Å; M562-F565 HydrophobicContact CE-CE1 4.46Å; M562-F565 HydrophobicContact CE-CG 4.21Å; M562-F565 WeakPolarHBondContact O-CB 2.97Å; M562-F565 PolarHBondContact O-N 3.2Å; M562-F565 VanDerWaalsContact O-N 3.11Å; M562-I572 VanDerWaalsContact O-CG1 3.26Å; M562-I572 WeakPolarHBondContact O-CG1 3.45Å; M562-V574 HydrophobicContact CB-CG2 4.17Å
563N86.1Confident82.4Confident79 Ų7972.8 Ų72.842%0.42235%0.354SS..THydrogen-bonded Turntrans-69125.8172.4-179.971.5000110.6C559 D573 V574C559-N563 WeakPolarHBondContact O-CB 3.18Å; N563-D573 WeakPolarHBondContact OD1-CA 3.41Å; N563-V574 HydrophobicContact CB-CB 4.05Å; N563-V574 HydrophobicContact CB-CG2 4.47Å; N563-V574 PolarHBondContact OD1-N 3.07Å; N563-V574 PolarHBondContact OD1-O 3.33Å
564G81.4Confident82.6Confident39 Ų3966.3 Ų66.340%0.40232%0.324SS..THydrogen-bonded Turntrans85.41.4-170.600000114.3M562 R566 I572M562-G564 PolarHBondContact O-N 3.4Å; G564-R566 PolarHBondContact O-N 3.36Å; G564-I572 PolarHBondContact N-O 3.09Å
565F81.9Confident82.7Confident99 Ų9972.4 Ų72.443%0.43435%0.346SS..  trans-69133.2-178.9-167.4-107.1000111.8M562 L567 E571 I572M562-F565 HydrophobicContact CE-CD1 4.03Å; M562-F565 HydrophobicContact CE-CE1 4.46Å; M562-F565 HydrophobicContact CE-CG 4.21Å; M562-F565 WeakPolarHBondContact O-CB 2.97Å; M562-F565 PolarHBondContact O-N 3.2Å; M562-F565 VanDerWaalsContact O-N 3.11Å; F565-L567 HydrophobicContact CD1-CD2 3.76Å; F565-L567 HydrophobicContact CD1-CG 3.98Å; F565-L567 HydrophobicContact CE1-CD2 3.65Å; F565-L567 HydrophobicContact CE1-CG 4.37Å; F565-L567 PolarHBondContact O-N 3.17Å; F565-E571 WeakPolarHBondContact O-CA 3.36Å; F565-I572 HydrophobicContact CB-CD1 4.23Å; F565-I572 HydrophobicContact CB-CG1 4.17Å; F565-I572 PolarHBondContact O-N 3.05Å
566R80.9Confident82.7Confident165 Ų16574.6 Ų74.662%0.62336%0.357SS*.EExtended strand (participates in β ladder)trans-85.598.5-176.7-88.6-175.2164.3-143.6-7.1112.3G564 R570 E571G564-R566 PolarHBondContact O-N 3.36Å; R566-R570 CarbonylContact C-O 3.59Å; R566-R570 WeakPolarHBondContact CA-O 3.27Å; R566-E571 HydrophobicContact CG-CG 3.44Å; R566-E571 VanDerWaalsContact CG-CG 3.44Å; R566-E571 IonicContact CZ-OE2 2.82Å; R566-E571 VanDerWaalsContact CZ-OE2 3.23Å; R566-E571 IonicContact NE-OE2 3.59Å; R566-E571 PolarHBondContact NE-OE2 3.15Å; R566-E571 IonicContact NH2-OE2 2.83Å; R566-E571 PolarHBondContact NH2-OE2 3.4Å
567L73.4Confident82.4Confident17 Ų1772.1 Ų72.19%0.08935%0.347CS..EExtended strand (participates in β ladder)trans-97.4118.1169.3-65.4178.2000110.1L510 P511 F514 T522 F565 G569 R570 I572L510-L567 HydrophobicContact CD2-CD1 4.11Å; P511-L567 HydrophobicContact CG-CB 4.24Å; F514-L567 HydrophobicContact CE1-CD1 3.92Å; F514-L567 HydrophobicContact CE2-CD1 4.18Å; F514-L567 HydrophobicContact CZ-CD1 3.68Å; F514-L567 HydrophobicContact CZ-CD2 4.26Å; F514-L567 HydrophobicContact CZ-CG 4.49Å; T522-L567 HydrophobicContact CG2-CD1 4.38Å; T522-L567 HydrophobicContact CG2-CD2 4.35Å; F565-L567 HydrophobicContact CD1-CD2 3.76Å; F565-L567 HydrophobicContact CD1-CG 3.98Å; F565-L567 HydrophobicContact CE1-CD2 3.65Å; F565-L567 HydrophobicContact CE1-CG 4.37Å; F565-L567 PolarHBondContact O-N 3.17Å; L567-G569 PolarHBondContact O-N 3.41Å; L567-G569 VanDerWaalsContact O-N 3.16Å; L567-R570 PolarHBondContact N-O 3.23Å; L567-R570 PolarHBondContact O-N 3.48Å; L567-I572 HydrophobicContact CB-CG2 4.42Å; L567-I572 HydrophobicContact CD1-CD1 3.97Å; L567-I572 HydrophobicContact CD1-CG2 3.96Å; L567-I572 HydrophobicContact CG-CG2 4.34Å
568N69.8Low81.2Confident138 Ų13875 Ų7574%0.73836%0.357SS*.THydrogen-bonded Turntrans47.442.6-179.2-60.99.1000113.3P511 R570P511-N568 HydrophobicContact CG-CB 4.09Å; N568-R570 VanDerWaalsContact C-N 3.32Å; N568-R570 PolarHBondContact O-N 3.1Å
569G73.5Confident79.7Confident56 Ų5682.4 Ų82.458%0.57740%0.397SS*.THydrogen-bonded Turntrans80.6-1.8-179.500000115.9L567L567-G569 PolarHBondContact O-N 3.41Å; L567-G569 VanDerWaalsContact O-N 3.16Å
570R77.9Confident77.8Confident83 Ų8384 Ų8431%0.31341%0.411SS..EExtended strand (participates in β ladder)trans-104.2133174.3-62.5-175-178-178.8-1.4111.2L510 R566 L567 N568L510-R570 PolarHBondContact O-NH1 3.49Å; R566-R570 CarbonylContact C-O 3.59Å; R566-R570 WeakPolarHBondContact CA-O 3.27Å; L567-R570 PolarHBondContact N-O 3.23Å; L567-R570 PolarHBondContact O-N 3.48Å; N568-R570 VanDerWaalsContact C-N 3.32Å; N568-R570 PolarHBondContact O-N 3.1Å
571E84.6Confident77.5Confident96 Ų9678.8 Ų78.845%0.44940%0.396SS..EExtended strand (participates in β ladder)trans-83.7118.9174.7-73156.559.800109.8N509 F565 R566N509-E571 PolarHBondContact ND2-O 3.01Å; F565-E571 WeakPolarHBondContact O-CA 3.36Å; R566-E571 HydrophobicContact CG-CG 3.44Å; R566-E571 VanDerWaalsContact CG-CG 3.44Å; R566-E571 IonicContact CZ-OE2 2.82Å; R566-E571 VanDerWaalsContact CZ-OE2 3.23Å; R566-E571 IonicContact NE-OE2 3.59Å; R566-E571 PolarHBondContact NE-OE2 3.15Å; R566-E571 IonicContact NH2-OE2 2.83Å; R566-E571 PolarHBondContact NH2-OE2 3.4Å
572I87.8Confident77.1Confident2 Ų276.7 Ų76.71%0.0138%0.384CS..  trans-82.1133-178.866.6-177.7000111.5V507 R508 L510 F523 M562 G564 F565 L567 V574V507-I572 HydrophobicContact CG1-CB 4.19Å; V507-I572 HydrophobicContact CG1-CD1 4.24Å; R508-I572 WeakPolarHBondContact O-CA 3.43Å; L510-I572 HydrophobicContact CD2-CG2 3.99Å; F523-I572 HydrophobicContact CE2-CD1 4.22Å; F523-I572 HydrophobicContact CZ-CD1 3.91Å; M562-I572 VanDerWaalsContact O-CG1 3.26Å; M562-I572 WeakPolarHBondContact O-CG1 3.45Å; G564-I572 PolarHBondContact N-O 3.09Å; F565-I572 HydrophobicContact CB-CD1 4.23Å; F565-I572 HydrophobicContact CB-CG1 4.17Å; F565-I572 PolarHBondContact O-N 3.05Å; L567-I572 HydrophobicContact CB-CG2 4.42Å; L567-I572 HydrophobicContact CD1-CD1 3.97Å; L567-I572 HydrophobicContact CD1-CG2 3.96Å; L567-I572 HydrophobicContact CG-CG2 4.34Å; I572-V574 HydrophobicContact CD1-CG2 4.05Å; I572-V574 HydrophobicContact CG1-CG2 3.95Å
573D85.6Confident76.8Confident32 Ų3280.2 Ų80.217%0.17140%0.402CS..EExtended strand (participates in β ladder)trans-91.9115.7172.2166.4-91.7000108.1V507 R508 N563 R575V507-D573 CarbonylContact C-O 3.57Å; V507-D573 WeakPolarHBondContact CA-O 3.49Å; R508-D573 HydrophobicContact CB-CB 4.23Å; R508-D573 IonicContact CZ-OD1 3.39Å; R508-D573 PolarHBondContact N-O 3Å; R508-D573 IonicContact NE-OD1 3.23Å; R508-D573 PolarHBondContact NE-OD1 3.33Å; R508-D573 IonicContact NH2-OD1 3.92Å; R508-D573 PolarHBondContact NH2-OD1 3.14Å; R508-D573 IonicContact NH2-OD2 2.74Å; R508-D573 PolarHBondContact O-N 3.06Å; N563-D573 WeakPolarHBondContact OD1-CA 3.41Å; D573-R575 IonicContact OD1-CZ 3.69Å; D573-R575 IonicContact OD1-NE 2.69Å; D573-R575 PolarHBondContact OD1-NE 2.94Å; D573-R575 VanDerWaalsContact OD1-NE 3.08Å; D573-R575 IonicContact OD2-CZ 2.84Å; D573-R575 IonicContact OD2-NE 2.66Å; D573-R575 PolarHBondContact OD2-NE 3.45Å; D573-R575 IonicContact OD2-NH2 2.7Å; D573-R575 PolarHBondContact OD2-NH2 3.41Å
574V89.1Confident76.2Confident4 Ų480.3 Ų80.32%0.02440%0.401CS..EExtended strand (participates in β ladder)trans-113.3127.5-178.5-171.70000109.1I505 V507 F523 C559 M562 N563 I572I505-V574 HydrophobicContact CB-CG1 4Å; I505-V574 HydrophobicContact CD1-CG1 3.67Å; I505-V574 HydrophobicContact CG1-CG1 4.4Å; I505-V574 HydrophobicContact CG2-CG1 4.15Å; V507-V574 HydrophobicContact CG1-CG2 4.25Å; V507-V574 HydrophobicContact CG2-CG1 4.29Å; V507-V574 HydrophobicContact CG2-CG2 4.42Å; F523-V574 HydrophobicContact CE1-CG1 4.16Å; F523-V574 HydrophobicContact CE1-CG2 4.15Å; F523-V574 HydrophobicContact CZ-CG1 4.39Å; F523-V574 HydrophobicContact CZ-CG2 3.77Å; C559-V574 HydrophobicContact CB-CG1 4.28Å; C559-V574 PolarHBondContact SG-O 3.13Å; M562-V574 HydrophobicContact CB-CG2 4.17Å; N563-V574 HydrophobicContact CB-CB 4.05Å; N563-V574 HydrophobicContact CB-CG2 4.47Å; N563-V574 PolarHBondContact OD1-N 3.07Å; N563-V574 PolarHBondContact OD1-O 3.33Å; I572-V574 HydrophobicContact CD1-CG2 4.05Å; I572-V574 HydrophobicContact CG1-CG2 3.95Å
575R86.1Confident75.9Confident139 Ų13982.9 Ų82.953%0.52540%0.401SS..EExtended strand (participates in β ladder)trans-137.1143.7-178.8-58.6-171-176.9-144.2-3110.8I505 F506 R508 C559 D573 D577I505-R575 CarbonylContact C-O 3.46Å; I505-R575 VanDerWaalsContact CA-O 3.26Å; I505-R575 WeakPolarHBondContact CA-O 3.09Å; F506-R575 PolarHBondContact N-O 2.75Å; F506-R575 PolarHBondContact O-N 2.96Å; R508-R575 VanDerWaalsContact NH2-CZ 3.33Å; R508-R575 VanDerWaalsContact NH2-NE 3.1Å; C559-R575 VanDerWaalsContact SG-CA 3.51Å; D573-R575 IonicContact OD1-CZ 3.69Å; D573-R575 IonicContact OD1-NE 2.69Å; D573-R575 PolarHBondContact OD1-NE 2.94Å; D573-R575 VanDerWaalsContact OD1-NE 3.08Å; D573-R575 IonicContact OD2-CZ 2.84Å; D573-R575 IonicContact OD2-NE 2.66Å; D573-R575 PolarHBondContact OD2-NE 3.45Å; D573-R575 IonicContact OD2-NH2 2.7Å; D573-R575 PolarHBondContact OD2-NH2 3.41Å; R575-D577 PolarHBondContact O-N 3.3Å
576I85.3Confident75.5Confident46 Ų4681.8 Ų81.824%0.23640%0.398CS..EExtended strand (participates in β ladder)trans-60.7127167.7-63.8-61.3000109I505 A555 E556 C559 R578I505-I576 HydrophobicContact CG2-CD1 3.81Å; A555-I576 HydrophobicContact CB-CD1 4.23Å; E556-I576 HydrophobicContact CG-CD1 4.02Å; E556-I576 HydrophobicContact CG-CG1 4.34Å; C559-I576 HydrophobicContact CB-CD1 3.95Å; C559-I576 HydrophobicContact CB-CG1 4.25Å; C559-I576 PolarHBondContact SG-N 3.49Å; I576-R578 PolarHBondContact O-N 2.69Å
577D78.7Confident75.1Confident30 Ų3075.9 Ų75.916%0.1638%0.382CS..  trans-78.9108.8174.2-167.9-24.4000109.4Q504 R575 N579Q504-D577 HydrophobicContact CB-CB 4.08Å; Q504-D577 HydrophobicContact CG-CB 3.9Å; Q504-D577 PolarHBondContact NE2-OD2 3.4Å; Q504-D577 PolarHBondContact O-N 2.86Å; R575-D577 PolarHBondContact O-N 3.3Å; D577-N579 VanDerWaalsContact C-N 3.28Å; D577-N579 WeakPolarHBondContact OD1-CA 3.43Å; D577-N579 WeakPolarHBondContact OD1-CB 3.39Å; D577-N579 PolarHBondContact OD1-N 3.09Å
578R59.6Low75.3Confident212 Ų21280.4 Ų80.480%0.841%0.405SS*.THydrogen-bonded Turntrans-851.3179.3-68.5-176.4171.8-177.3-3.1113.3I576I576-R578 PolarHBondContact O-N 2.69Å
579N54Low75.7Confident155 Ų15575.6 Ų75.683%0.82938%0.377SS*.THydrogen-bonded Turntrans-111.118.3-173-15682.9000113D577D577-N579 VanDerWaalsContact C-N 3.28Å; D577-N579 WeakPolarHBondContact OD1-CA 3.43Å; D577-N579 WeakPolarHBondContact OD1-CB 3.39Å; D577-N579 PolarHBondContact OD1-N 3.09Å
580A46.6Very low75.9Confident52 Ų5277.4 Ų77.443%0.4336%0.359SS..  trans-98.90-17900000114.6K501 Q504K501-A580 WeakPolarHBondContact CG-O 3.46Å; Q504-A580 HydrophobicContact CB-CB 4.05Å

Retrieved 580 of 580 residues in 540.5 ms (Link to these results)

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