A0A3Q0KIH3_SCHMA Loading...

Spliceosome-associated protein CWC27 homolog

AlphaFold DB , UniProt , Accession A0A3Q0KIH3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 480 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
1M41.7Very low74.2Confident231 Ų231104.1 Ų104.1100%1.13858%0.575SS**  0109.90-67.9174.7-179.100106.9N3M1-N3 PolarHBondContact O-N 3.33Å
2S49.8Very low75.7Confident103 Ų103102.8 Ų102.872%0.7256%0.561SS**  trans-68.6114.417736.10000108.9I4S2-I4 PolarHBondContact O-N 3.34Å
3N58.3Low77.1Confident119 Ų11995.4 Ų95.464%0.63652%0.523SS*.  trans-7574.7175-83-18.1000110.1M1 Y5M1-N3 PolarHBondContact O-N 3.33Å; N3-Y5 HydrophobicContact CB-CD2 4.24Å; N3-Y5 HydrophobicContact CB-CE2 3.68Å; N3-Y5 PolarHBondContact O-N 3.34Å
4I73.1Confident78.4Confident138 Ų13892.9 Ų92.971%0.70850%0.504SS*.  trans-91.792.1168.6-58.6170000106.5S2 V6S2-I4 PolarHBondContact O-N 3.34Å; I4-V6 HydrophobicContact CG2-CG2 4.39Å; I4-V6 PolarHBondContact O-N 3.09Å
5Y68.4Low79.7Confident180 Ų18086.7 Ų86.771%0.70647%0.471SS*.  trans-75.6101.9174.4-65.3-80.2000109.3N3 T7N3-Y5 HydrophobicContact CB-CD2 4.24Å; N3-Y5 HydrophobicContact CB-CE2 3.68Å; N3-Y5 PolarHBondContact O-N 3.34Å; Y5-T7 PolarHBondContact O-N 2.81Å
6V76.1Confident80.7Confident95 Ų9582.6 Ų82.658%0.57645%0.448SS*.  trans-78.6108167.9-178.90000107.4I4 E8I4-V6 HydrophobicContact CG2-CG2 4.39Å; I4-V6 PolarHBondContact O-N 3.09Å; V6-E8 VanDerWaalsContact C-N 3.28Å; V6-E8 HydrophobicContact CG1-CB 4.01Å; V6-E8 HydrophobicContact CG1-CG 4.36Å
7T83.1Confident81.6Confident111 Ų11177.8 Ų77.868%0.68142%0.422SS*.  trans-81.6-7.6-178.951.70000113.5Y5Y5-T7 PolarHBondContact O-N 2.81Å
8E87.5Confident82.4Confident39 Ų3978.3 Ų78.318%0.18242%0.42CS..SBendtrans-70.6143-179.2-63.6176.8-179.300111.6V6 W29 R95 R132V6-E8 VanDerWaalsContact C-N 3.28Å; V6-E8 HydrophobicContact CG1-CB 4.01Å; V6-E8 HydrophobicContact CG1-CG 4.36Å; E8-W29 HydrophobicContact CB-CZ2 4.38Å; E8-R95 IonicContact OE1-CZ 3.24Å; E8-R95 IonicContact OE1-NE 2.81Å; E8-R95 PolarHBondContact OE1-NE 3.03Å; E8-R95 IonicContact OE1-NH2 2.77Å; E8-R95 PolarHBondContact OE1-NH2 3.42Å; E8-R95 IonicContact OE2-CZ 3.14Å; E8-R95 IonicContact OE2-NH2 2.82Å; E8-R95 PolarHBondContact OE2-NH2 3.03Å; E8-R132 IonicContact OE2-NH1 2.87Å; E8-R132 PolarHBondContact OE2-NH1 2.99Å; E8-R132 VanDerWaalsContact OE2-NH1 3.09Å
9P91.9Very high83.1Confident8 Ų874.8 Ų74.85%0.05240%0.401CS..PPolyproline II helixtrans-62.8156.717220.1-24.7000112.8T11 W29 E32 L91P9-T11 PolarHBondContact O-N 3.49Å; P9-W29 PolarHBondContact O-NE1 3.15Å; P9-E32 WeakPolarHBondContact CB-OE1 3.41Å; P9-E32 HydrophobicContact CG-CG 3.98Å; P9-E32 VanDerWaalsContact CG-OE1 3.29Å; P9-E32 WeakPolarHBondContact CG-OE1 3.4Å; P9-L91 HydrophobicContact CG-CD2 3.96Å; P9-L91 HydrophobicContact CG-CG 4.46Å
10A92.7Very high83.6Confident85 Ų8575 Ų7570%0.70241%0.405SS*.PPolyproline II helixtrans-62133.7171.200000110.5
11T93.9Very high84Confident36 Ų3672.5 Ų72.522%0.22139%0.393CS..PPolyproline II helixtrans-77149.2175.446.10000110.3P9 E27 L28 W29 R132P9-T11 PolarHBondContact O-N 3.49Å; T11-E27 HydrophobicContact CG2-CB 3.77Å; T11-E27 PolarHBondContact OG1-OE2 3.1Å; T11-L28 CarbonylContact C-O 3.46Å; T11-L28 WeakPolarHBondContact CA-O 3.48Å; T11-L28 WeakPolarHBondContact CB-O 3.26Å; T11-W29 HydrophobicContact CG2-CD2 4.24Å; T11-W29 HydrophobicContact CG2-CG 4.22Å; T11-W29 HydrophobicContact CG2-CZ2 4.35Å; T11-R132 HydrophobicContact CG2-CG 4.23Å
12H92Very high86.5Confident88 Ų8862.7 Ų62.741%0.40735%0.35SS..BIsolated β-bridgetrans-144.3103.9175.3-174.757.7000109.3L28 S30 P170H12-L28 CarbonylContact C-O 3.52Å; H12-L28 PolarHBondContact N-O 2.92Å; H12-S30 WeakPolarHBondContact CB-OG 3.41Å; H12-S30 PolarHBondContact CD2-OG 3.03Å; H12-S30 VanDerWaalsContact O-CB 3.23Å; H12-S30 WeakPolarHBondContact O-CB 3.3Å; H12-S30 PolarHBondContact O-OG 3.35Å; H12-P170 WeakPolarHBondContact CD2-CB 3.34Å
13G93.7Very high88.7Confident7 Ų761.9 Ų61.97%0.07234%0.336CS..  trans124.1135.6-17200000110.9E27 L28 L168G13-E27 WeakPolarHBondContact O-CA 3.47Å; G13-L28 PolarHBondContact O-N 2.79Å; G13-L168 WeakPolarHBondContact CA-O 3.35Å
14K96Very high90.5Very high60 Ų6056.2 Ų56.226%0.26131%0.305SS..EExtended strand (participates in β ladder)trans-140.4127.8179-170.1173.7176.6-1740110.9E25 I26 I167 L168K14-E25 WeakPolarHBondContact CE-OE1 3.3Å; K14-E25 WeakPolarHBondContact CE-OE2 3.43Å; K14-E25 IonicContact NZ-OE1 2.66Å; K14-E25 PolarHBondContact NZ-OE1 3Å; K14-E25 IonicContact NZ-OE2 3.71Å; K14-E25 PolarHBondContact NZ-OE2 3.48Å; K14-I26 WeakPolarHBondContact CA-O 3.38Å; K14-I167 HydrophobicContact CB-CB 4.46Å; K14-I167 HydrophobicContact CD-CD1 3.76Å; K14-I167 HydrophobicContact CG-CD1 3.86Å; K14-I167 HydrophobicContact CG-CG1 4.5Å; K14-I167 PolarHBondContact O-N 3.48Å; K14-L168 HydrophobicContact CB-CB 4.11Å; K14-L168 PolarHBondContact N-O 3.05Å; K14-L168 PolarHBondContact O-N 3.42Å
15V96.6Very high91.6Very high0 Ų051 Ų510%028%0.278CS..EExtended strand (participates in β ladder)trans-129.7135.9-179.4-179.20000109.3L17 I26 L28 F40 V41 C44 C165 V166V15-L17 HydrophobicContact CG1-CD2 4.33Å; V15-I26 PolarHBondContact N-O 3.13Å; V15-I26 PolarHBondContact O-N 2.98Å; V15-L28 HydrophobicContact CG2-CD1 3.88Å; V15-F40 HydrophobicContact CB-CE1 3.99Å; V15-F40 HydrophobicContact CG1-CE1 3.91Å; V15-F40 HydrophobicContact CG1-CZ 4.48Å; V15-F40 HydrophobicContact CG2-CD1 4.4Å; V15-F40 HydrophobicContact CG2-CE1 4.08Å; V15-V41 HydrophobicContact CG2-CG2 4.29Å; V15-C44 HydrophobicContact CG1-CB 4.35Å; V15-C165 CarbonylContact C-O 3.57Å; V15-C165 WeakPolarHBondContact CA-O 3.32Å; V15-V166 HydrophobicContact CG1-CG2 4.49Å; V15-V166 HydrophobicContact CG2-CG1 4.35Å; V15-V166 HydrophobicContact CG2-CG2 4.23Å
16I96.2Very high93Very high22 Ų2242.4 Ų42.411%0.11324%0.244CC..EExtended strand (participates in β ladder)trans-102.4126.4171.6-50.5-171.8000108.9K18 E23 E25 C165 I167I16-K18 HydrophobicContact CG2-CG 4.42Å; I16-E23 HydrophobicContact CG2-CB 4.04Å; I16-E25 HydrophobicContact CD1-CG 4.43Å; I16-E25 HydrophobicContact CG1-CG 4.15Å; I16-C165 HydrophobicContact CB-CB 4.5Å; I16-C165 PolarHBondContact N-O 3.31Å; I16-C165 PolarHBondContact O-N 3.05Å; I16-I167 HydrophobicContact CD1-CD1 3.4Å; I16-I167 VanDerWaalsContact CD1-CD1 3.4Å; I16-I167 HydrophobicContact CD1-CG1 3.86Å; I16-I167 HydrophobicContact CG1-CD1 3.38Å; I16-I167 HydrophobicContact CG1-CG1 3.63Å
17L96.2Very high93.9Very high0 Ų040 Ų400%023%0.226CC..EExtended strand (participates in β ladder)trans-99.9115.8164.8-58.8-176.7000108.6V15 T19 I24 I26 F40 F113 F115 I161V15-L17 HydrophobicContact CG1-CD2 4.33Å; L17-T19 HydrophobicContact CB-CG2 4.33Å; L17-T19 PolarHBondContact O-N 3.43Å; L17-I24 PolarHBondContact N-O 3.45Å; L17-I24 PolarHBondContact O-N 2.88Å; L17-I26 HydrophobicContact CD1-CD1 3.56Å; L17-I26 HydrophobicContact CG-CD1 3.96Å; L17-F40 HydrophobicContact CD1-CZ 4.31Å; L17-F40 HydrophobicContact CD2-CZ 4.28Å; L17-F113 HydrophobicContact CD1-CE2 4.36Å; L17-F113 HydrophobicContact CD1-CZ 4.09Å; L17-F115 HydrophobicContact CD1-CZ 4.2Å; L17-I161 HydrophobicContact CD1-CD1 4.25Å; L17-I161 HydrophobicContact CD2-CG2 4.49Å
18K95.8Very high94.6Very high88 Ų8834.7 Ų34.738%0.38319%0.194SC..EExtended strand (participates in β ladder)trans-83.3113.6170.4-59.3-166.6178.3-175.30107.6I16 E23 I161 V162 S163I16-K18 HydrophobicContact CG2-CG 4.42Å; K18-E23 VanDerWaalsContact CE-OE1 3.23Å; K18-E23 WeakPolarHBondContact CE-OE1 3.5Å; K18-E23 HydrophobicContact CG-CG 4.25Å; K18-E23 IonicContact NZ-OE1 2.92Å; K18-I161 CarbonylContact O-C 3.45Å; K18-V162 PolarHBondContact O-N 2.98Å; K18-S163 WeakPolarHBondContact CD-OG 3.43Å; K18-S163 PolarHBondContact N-O 2.98Å; K18-S163 PolarHBondContact O-N 3.23Å
19T95.3Very high95Very high11 Ų1132.8 Ų32.87%0.06719%0.185CC..EExtended strand (participates in β ladder)trans-113.9167.5-179.7730000110.8L17 V21 G22 I24 F54 R160 I161L17-T19 HydrophobicContact CB-CG2 4.33Å; L17-T19 PolarHBondContact O-N 3.43Å; T19-V21 PolarHBondContact O-N 3.34Å; T19-V21 PolarHBondContact OG1-N 3.44Å; T19-G22 PolarHBondContact N-O 3.23Å; T19-G22 PolarHBondContact O-N 3.41Å; T19-G22 VanDerWaalsContact O-N 3.1Å; T19-G22 PolarHBondContact OG1-N 2.93Å; T19-G22 PolarHBondContact OG1-O 3.14Å; T19-I24 HydrophobicContact CG2-CD1 3.95Å; T19-I24 HydrophobicContact CG2-CG1 4.43Å; T19-F54 HydrophobicContact CG2-CE2 4.31Å; T19-R160 CarbonylContact C-O 3.56Å; T19-R160 VanDerWaalsContact CA-O 3.26Å; T19-R160 WeakPolarHBondContact CA-O 3.42Å; T19-R160 WeakPolarHBondContact CB-O 3.4Å; T19-I161 HydrophobicContact CG2-CG1 4.22Å
20T93.1Very high95.1Very high78 Ų7832.9 Ų32.948%0.47919%0.186SC..THydrogen-bonded Turntrans-57.8-15.917455.60000114.6H159 R160T20-H159 WeakPolarHBondContact OG1-CA 3.46Å; T20-H159 WeakPolarHBondContact OG1-CB 3.44Å; T20-H159 PolarHBondContact OG1-ND1 3.36Å; T20-R160 HydrophobicContact CG2-CB 4.11Å; T20-R160 PolarHBondContact N-O 3.46Å; T20-R160 PolarHBondContact OG1-N 2.93Å
21V91.8Very high95.2Very high24 Ų2436.6 Ų36.615%0.14519%0.186CC..THydrogen-bonded Turntrans-102.1-12.5-176.1-175.40000112.2T19 N140 R143 L144 H159T19-V21 PolarHBondContact O-N 3.34Å; T19-V21 PolarHBondContact OG1-N 3.44Å; V21-N140 WeakPolarHBondContact CG1-O 3.29Å; V21-R143 HydrophobicContact CG1-CB 3.17Å; V21-R143 HydrophobicContact CG1-CG 4.14Å; V21-L144 HydrophobicContact CB-CD2 4.16Å; V21-L144 HydrophobicContact CG2-CD2 3.63Å; V21-L144 HydrophobicContact CG2-CG 4.47Å; V21-H159 HydrophobicContact CG2-CB 4.23Å; V21-H159 WeakPolarHBondContact CG2-CE1 3.46Å; V21-H159 WeakPolarHBondContact CG2-ND1 3.44Å
22G94.1Very high95.1Very high24 Ų2436.4 Ų36.425%0.24718%0.183CC..EExtended strand (participates in β ladder)trans137.8-178.6-175.200000111.8T19T19-G22 PolarHBondContact N-O 3.23Å; T19-G22 PolarHBondContact O-N 3.41Å; T19-G22 VanDerWaalsContact O-N 3.1Å; T19-G22 PolarHBondContact OG1-N 2.93Å; T19-G22 PolarHBondContact OG1-O 3.14Å
23E96Very high95.2Very high87 Ų8732.2 Ų32.241%0.40716%0.164SC..EExtended strand (participates in β ladder)trans-81.1136.8177-55.8-168.9154.200110.1I16 K18 T137 N140I16-E23 HydrophobicContact CG2-CB 4.04Å; K18-E23 VanDerWaalsContact CE-OE1 3.23Å; K18-E23 WeakPolarHBondContact CE-OE1 3.5Å; K18-E23 HydrophobicContact CG-CG 4.25Å; K18-E23 IonicContact NZ-OE1 2.92Å; E23-T137 WeakPolarHBondContact O-CB 3.35Å; E23-T137 VanDerWaalsContact O-CG2 3.32Å; E23-T137 WeakPolarHBondContact O-CG2 3.42Å; E23-N140 PolarHBondContact O-ND2 3.42Å
24I96.6Very high95.3Very high0 Ų034.3 Ų34.30%018%0.176CC..EExtended strand (participates in β ladder)trans-121.9112.8176.8-58.8176.9000107.3L17 T19 I26 F115 V133 N140 M141 L144L17-I24 PolarHBondContact N-O 3.45Å; L17-I24 PolarHBondContact O-N 2.88Å; T19-I24 HydrophobicContact CG2-CD1 3.95Å; T19-I24 HydrophobicContact CG2-CG1 4.43Å; I24-I26 HydrophobicContact CG2-CG1 4.26Å; I24-F115 HydrophobicContact CG2-CE1 4.41Å; I24-F115 HydrophobicContact CG2-CZ 4.4Å; I24-V133 HydrophobicContact CG2-CG1 3.86Å; I24-V133 HydrophobicContact CG2-CG2 4.16Å; I24-N140 HydrophobicContact CG1-CB 4.21Å; I24-M141 HydrophobicContact CD1-CB 4.1Å; I24-M141 HydrophobicContact CG2-CB 4.49Å; I24-L144 HydrophobicContact CD1-CD1 3.58Å; I24-L144 HydrophobicContact CD1-CG 4.41Å
25E96.7Very high95.2Very high27 Ų2735.6 Ų35.613%0.12618%0.181CC..EExtended strand (participates in β ladder)trans-90.7127.2176.5-61.5-169.1141.100110.1K14 I16 V133 A134 T137K14-E25 WeakPolarHBondContact CE-OE1 3.3Å; K14-E25 WeakPolarHBondContact CE-OE2 3.43Å; K14-E25 IonicContact NZ-OE1 2.66Å; K14-E25 PolarHBondContact NZ-OE1 3Å; K14-E25 IonicContact NZ-OE2 3.71Å; K14-E25 PolarHBondContact NZ-OE2 3.48Å; I16-E25 HydrophobicContact CD1-CG 4.43Å; I16-E25 HydrophobicContact CG1-CG 4.15Å; E25-V133 CarbonylContact O-C 3.56Å; E25-V133 VanDerWaalsContact O-CA 3.3Å; E25-V133 WeakPolarHBondContact O-CA 3.42Å; E25-A134 HydrophobicContact CB-CB 3.87Å; E25-A134 PolarHBondContact O-N 2.88Å; E25-T137 HydrophobicContact CB-CG2 4.24Å; E25-T137 HydrophobicContact CG-CG2 3.76Å; E25-T137 PolarHBondContact N-OG1 3.23Å
26I97.2Very high95.1Very high0 Ų035.6 Ų35.60%018%0.181CC..EExtended strand (participates in β ladder)trans-115.6120.4-179.4-56.9173.1000108.5K14 V15 L17 I24 L28 F40 V99 F115 R132K14-I26 WeakPolarHBondContact CA-O 3.38Å; V15-I26 PolarHBondContact N-O 3.13Å; V15-I26 PolarHBondContact O-N 2.98Å; L17-I26 HydrophobicContact CD1-CD1 3.56Å; L17-I26 HydrophobicContact CG-CD1 3.96Å; I24-I26 HydrophobicContact CG2-CG1 4.26Å; I26-L28 HydrophobicContact CG2-CD2 3.79Å; I26-F40 HydrophobicContact CD1-CE1 4.4Å; I26-F40 HydrophobicContact CD1-CZ 3.91Å; I26-V99 HydrophobicContact CD1-CG2 4.39Å; I26-V99 HydrophobicContact CG1-CG2 4.39Å; I26-V99 HydrophobicContact CG2-CG2 3.91Å; I26-F115 HydrophobicContact CD1-CE1 3.9Å; I26-F115 HydrophobicContact CD1-CZ 3.97Å; I26-F115 HydrophobicContact CG1-CE1 4.37Å; I26-R132 CarbonylContact C-O 3.57Å; I26-R132 WeakPolarHBondContact CA-O 3.29Å
27E96.3Very high95Very high44 Ų4434.5 Ų34.521%0.20618%0.176CC..EExtended strand (participates in β ladder)trans-91.1133.8168.2-61.2-177.6176.700109.7T11 G13 G131 R132T11-E27 HydrophobicContact CG2-CB 3.77Å; T11-E27 PolarHBondContact OG1-OE2 3.1Å; G13-E27 WeakPolarHBondContact O-CA 3.47Å; E27-G131 CarbonylContact O-C 3.56Å; E27-G131 WeakPolarHBondContact O-CA 3.36Å; E27-R132 HydrophobicContact CB-CG 4.06Å; E27-R132 PolarHBondContact N-O 3.04Å; E27-R132 PolarHBondContact O-N 3.17Å; E27-R132 IonicContact OE2-CZ 3.46Å; E27-R132 VanDerWaalsContact OE2-CZ 3.24Å; E27-R132 IonicContact OE2-NE 2.78Å; E27-R132 PolarHBondContact OE2-NE 3.34Å; E27-R132 IonicContact OE2-NH2 2.79Å; E27-R132 PolarHBondContact OE2-NH2 3.45Å
28L97Very high95Very high0 Ų037.9 Ų37.90%019%0.188CC..EExtended strand (participates in β ladder)trans-106145.5-171.9-59175.8000111.9T11 H12 G13 V15 I26 S30 F40 V41 F130T11-L28 CarbonylContact C-O 3.46Å; T11-L28 WeakPolarHBondContact CA-O 3.48Å; T11-L28 WeakPolarHBondContact CB-O 3.26Å; H12-L28 CarbonylContact C-O 3.52Å; H12-L28 PolarHBondContact N-O 2.92Å; G13-L28 PolarHBondContact O-N 2.79Å; V15-L28 HydrophobicContact CG2-CD1 3.88Å; I26-L28 HydrophobicContact CG2-CD2 3.79Å; L28-S30 PolarHBondContact O-N 3.03Å; L28-F40 HydrophobicContact CD1-CD1 4.27Å; L28-F40 HydrophobicContact CD2-CD1 3.99Å; L28-F40 HydrophobicContact CD2-CE1 4.3Å; L28-V41 HydrophobicContact CD1-CG2 3.49Å; L28-V41 VanDerWaalsContact CD1-CG2 3.49Å; L28-F130 WeakPolarHBondContact CA-O 3.4Å; L28-F130 HydrophobicContact CD2-CD2 3.74Å; L28-F130 HydrophobicContact CD2-CE2 3.87Å
29W96.1Very high94.9Very high0 Ų033.7 Ų33.70%017%0.17CC..BIsolated β-bridgetrans-97.369.1169.9-71.2-66.7000110.6E8 P9 T11 K31 E32 A33 C37 L91 L98 L129 F130 G131 R132E8-W29 HydrophobicContact CB-CZ2 4.38Å; P9-W29 PolarHBondContact O-NE1 3.15Å; T11-W29 HydrophobicContact CG2-CD2 4.24Å; T11-W29 HydrophobicContact CG2-CG 4.22Å; T11-W29 HydrophobicContact CG2-CZ2 4.35Å; W29-K31 PolarHBondContact O-N 3.29Å; W29-E32 HydrophobicContact CB-CB 4.24Å; W29-E32 PolarHBondContact O-N 2.86Å; W29-A33 PolarHBondContact O-N 3.3Å; W29-C37 VanDerWaalsContact C-SG 3.59Å; W29-L91 HydrophobicContact CB-CD1 4.34Å; W29-L91 HydrophobicContact CD2-CD1 4.23Å; W29-L91 HydrophobicContact CD2-CD2 3.76Å; W29-L91 HydrophobicContact CE3-CD1 4.16Å; W29-L91 HydrophobicContact CE3-CD2 3.91Å; W29-L91 HydrophobicContact CG-CD1 4.32Å; W29-L91 HydrophobicContact CG-CD2 4.33Å; W29-L91 HydrophobicContact CH2-CD2 4.02Å; W29-L91 HydrophobicContact CZ2-CD2 3.87Å; W29-L91 HydrophobicContact CZ3-CD2 4.05Å; W29-L98 HydrophobicContact CH2-CD2 3.92Å; W29-L98 HydrophobicContact CZ3-CD2 4.38Å; W29-L129 HydrophobicContact CE3-CG 4.25Å; W29-L129 HydrophobicContact CH2-CD2 4.4Å; W29-L129 HydrophobicContact CZ3-CD1 3.97Å; W29-L129 HydrophobicContact CZ3-CD2 3.96Å; W29-L129 HydrophobicContact CZ3-CG 3.71Å; W29-F130 PolarHBondContact N-O 3.16Å; W29-G131 VanDerWaalsContact CZ3-O 3.27Å; W29-G131 WeakPolarHBondContact CZ3-O 3.35Å; W29-R132 HydrophobicContact CH2-CB 3.7Å; W29-R132 HydrophobicContact CH2-CG 4.09Å; W29-R132 HydrophobicContact CZ2-CB 4.26Å; W29-R132 HydrophobicContact CZ2-CG 4.15Å; W29-R132 HydrophobicContact CZ3-CB 4.2Å
30S94.1Very high94.9Very high9 Ų933.1 Ų33.16%0.06317%0.167CC..THydrogen-bonded Turntrans-63.1-21.3-176.454.50000114.7H12 L28 P34 Y171H12-S30 WeakPolarHBondContact CB-OG 3.41Å; H12-S30 PolarHBondContact CD2-OG 3.03Å; H12-S30 VanDerWaalsContact O-CB 3.23Å; H12-S30 WeakPolarHBondContact O-CB 3.3Å; H12-S30 PolarHBondContact O-OG 3.35Å; L28-S30 PolarHBondContact O-N 3.03Å; S30-P34 WeakPolarHBondContact O-CA 3.3Å; S30-P34 WeakPolarHBondContact O-CB 3.37Å; S30-Y171 VanDerWaalsContact CB-OH 3.32Å; S30-Y171 WeakPolarHBondContact CB-OH 3.44Å; S30-Y171 PolarHBondContact O-OH 3.34Å; S30-Y171 VanDerWaalsContact O-OH 3.09Å
31K94.1Very high95Very high164 Ų16429.4 Ų29.471%0.71314%0.144SC*.THydrogen-bonded Turntrans-79.6-41.6176.4-67.9-176.6179179.80111.9W29W29-K31 PolarHBondContact O-N 3.29Å
32E93.2Very high95.1Very high31 Ų3129.4 Ų29.415%0.14514%0.142CC..THydrogen-bonded Turntrans-81.8-38.5-177.1-67.873.8-166.400112.8P9 W29 P34 H88 R90 L91P9-E32 WeakPolarHBondContact CB-OE1 3.41Å; P9-E32 HydrophobicContact CG-CG 3.98Å; P9-E32 VanDerWaalsContact CG-OE1 3.29Å; P9-E32 WeakPolarHBondContact CG-OE1 3.4Å; W29-E32 HydrophobicContact CB-CB 4.24Å; W29-E32 PolarHBondContact O-N 2.86Å; E32-P34 VanDerWaalsContact C-CD 3.44Å; E32-P34 WeakPolarHBondContact O-CD 3.44Å; E32-H88 HydrophobicContact CB-CB 4.31Å; E32-H88 HydrophobicContact CG-CB 4.45Å; E32-H88 WeakPolarHBondContact CG-CD2 3.26Å; E32-R90 IonicContact OE1-NH2 3.09Å; E32-R90 PolarHBondContact OE1-NH2 3.23Å; E32-L91 HydrophobicContact CB-CD1 3.74Å; E32-L91 HydrophobicContact CG-CD1 4.13Å
33A93.9Very high95.1Very high1 Ų128.2 Ų28.21%0.00813%0.131CC..SBendtrans-125.361.5-177.800000112.2W29 K35 A36 C37 E86 T128 F130W29-A33 PolarHBondContact O-N 3.3Å; A33-K35 VanDerWaalsContact C-N 3.35Å; A33-K35 PolarHBondContact O-N 3.32Å; A33-A36 HydrophobicContact CB-CB 4.31Å; A33-A36 PolarHBondContact O-N 3.5Å; A33-C37 WeakPolarHBondContact O-CB 3.49Å; A33-C37 PolarHBondContact O-N 3.46Å; A33-C37 PolarHBondContact O-SG 2.88Å; A33-E86 WeakPolarHBondContact CA-OE2 3.45Å; A33-E86 HydrophobicContact CB-CB 4.47Å; A33-T128 HydrophobicContact CB-CG2 4.01Å; A33-F130 HydrophobicContact CB-CB 3.87Å
34P94.7Very high94.9Very high51 Ų5124.3 Ų24.333%0.33111%0.113SC..Hα-helixtrans-63.1-36.2-170.525.6-35.4000113.9S30 E32 R38 E86 Y171S30-P34 WeakPolarHBondContact O-CA 3.3Å; S30-P34 WeakPolarHBondContact O-CB 3.37Å; E32-P34 VanDerWaalsContact C-CD 3.44Å; E32-P34 WeakPolarHBondContact O-CD 3.44Å; P34-R38 WeakPolarHBondContact O-CB 3.45Å; P34-R38 PolarHBondContact O-N 2.88Å; P34-E86 VanDerWaalsContact CD-OE2 3.3Å; P34-E86 WeakPolarHBondContact CD-OE2 3.42Å; P34-E86 VanDerWaalsContact N-OE2 3.12Å; P34-Y171 VanDerWaalsContact CA-OH 3.28Å; P34-Y171 WeakPolarHBondContact CA-OH 3.44Å; P34-Y171 PolarHBondContact O-OH 3.38Å
35K93.5Very high94.7Very high86 Ų8628 Ų2837%0.37413%0.131SC..Hα-helixtrans-73.6-39.8-177.9-72.1-170.6178-168.60111.8A33 N39 Y79 F83 K84 E86A33-K35 VanDerWaalsContact C-N 3.35Å; A33-K35 PolarHBondContact O-N 3.32Å; K35-N39 VanDerWaalsContact O-CB 3.32Å; K35-N39 WeakPolarHBondContact O-CB 3.47Å; K35-N39 PolarHBondContact O-N 2.77Å; K35-Y79 PolarHBondContact O-OH 3.4Å; K35-F83 HydrophobicContact CB-CD2 4.15Å; K35-K84 HydrophobicContact CD-CD 4.28Å; K35-K84 HydrophobicContact CD-CG 3.9Å; K35-E86 WeakPolarHBondContact CB-OE1 3.49Å; K35-E86 WeakPolarHBondContact CG-OE1 3.35Å; K35-E86 PolarHBondContact N-OE2 2.96Å
36A94.8Very high94.4Very high0 Ų028.6 Ų28.60%013%0.134CC..Hα-helixtrans-68.4-46.1177.100000111.2A33 N39 F40 F83 M101 T128 F130A33-A36 HydrophobicContact CB-CB 4.31Å; A33-A36 PolarHBondContact O-N 3.5Å; A36-N39 PolarHBondContact O-N 2.99Å; A36-F40 WeakPolarHBondContact O-CB 3.38Å; A36-F40 PolarHBondContact O-N 3.46Å; A36-F83 HydrophobicContact CB-CE2 3.88Å; A36-F83 HydrophobicContact CB-CZ 4.11Å; A36-M101 HydrophobicContact CB-CG 4.15Å; A36-T128 HydrophobicContact CB-CG2 3.74Å; A36-F130 HydrophobicContact CB-CB 3.8Å; A36-F130 HydrophobicContact CB-CG 4.21Å
37C95.4Very high94.1Very high0 Ų029.7 Ų29.70%015%0.145CC..Hα-helixtrans-62.4-44.2177-67.90000111.9W29 A33 F40 V41 F130 Y171W29-C37 VanDerWaalsContact C-SG 3.59Å; A33-C37 WeakPolarHBondContact O-CB 3.49Å; A33-C37 PolarHBondContact O-N 3.46Å; A33-C37 PolarHBondContact O-SG 2.88Å; C37-F40 PolarHBondContact O-N 3.34Å; C37-V41 WeakPolarHBondContact O-CB 3.35Å; C37-V41 VanDerWaalsContact O-CG2 3.29Å; C37-V41 WeakPolarHBondContact O-CG2 3.24Å; C37-V41 PolarHBondContact O-N 2.89Å; C37-F130 PolarHBondContact SG-O 2.73Å; C37-Y171 HydrophobicContact CB-CE2 4.16Å
38R94.5Very high93.9Very high70 Ų7029 Ų2926%0.26414%0.141SC..Hα-helixtrans-60-47.3175.4179.4178.1-73.1-132.4-5.1111.8P34 F40 Q42 I78 Y171 D173 I174P34-R38 WeakPolarHBondContact O-CB 3.45Å; P34-R38 PolarHBondContact O-N 2.88Å; R38-F40 VanDerWaalsContact C-N 3.34Å; R38-F40 PolarHBondContact O-N 2.97Å; R38-Q42 VanDerWaalsContact O-CB 3.31Å; R38-Q42 WeakPolarHBondContact O-CB 3.39Å; R38-Q42 PolarHBondContact O-N 3.19Å; R38-I78 HydrophobicContact CG-CD1 3.97Å; R38-Y171 HydrophobicContact CB-CD2 4.34Å; R38-Y171 HydrophobicContact CB-CE2 3.99Å; R38-D173 IonicContact CZ-OD1 3.28Å; R38-D173 IonicContact CZ-OD2 2.95Å; R38-D173 IonicContact NH1-OD1 3.58Å; R38-D173 IonicContact NH1-OD2 3.18Å; R38-D173 PolarHBondContact NH1-OD2 3.47Å; R38-D173 IonicContact NH2-OD1 3.87Å; R38-D173 PolarHBondContact NH2-OD1 2.8Å; R38-D173 IonicContact NH2-OD2 3.59Å; R38-D173 PolarHBondContact NH2-OD2 2.9Å; R38-I174 HydrophobicContact CG-CD1 4.1Å; R38-I174 HydrophobicContact CG-CG1 4.34Å
39N94.5Very high93.8Very high0 Ų029 Ų290%014%0.141CC..Hα-helixtrans-58.2-46.9176.5-179.266.8000111.4K35 A36 L43 S77 I78 Y79 F83 G110K35-N39 VanDerWaalsContact O-CB 3.32Å; K35-N39 WeakPolarHBondContact O-CB 3.47Å; K35-N39 PolarHBondContact O-N 2.77Å; A36-N39 PolarHBondContact O-N 2.99Å; N39-L43 WeakPolarHBondContact O-CB 3.29Å; N39-L43 WeakPolarHBondContact O-CG 3.47Å; N39-L43 PolarHBondContact O-N 2.8Å; N39-S77 WeakPolarHBondContact OD1-CA 3.18Å; N39-I78 HydrophobicContact CB-CD1 4.32Å; N39-I78 HydrophobicContact CB-CG1 4.16Å; N39-I78 WeakPolarHBondContact OD1-CG1 3.44Å; N39-I78 PolarHBondContact OD1-N 3.41Å; N39-Y79 HydrophobicContact CB-CE2 4.15Å; N39-F83 HydrophobicContact CB-CE1 4.08Å; N39-F83 HydrophobicContact CB-CZ 4.38Å; N39-F83 WeakPolarHBondContact ND2-CE1 3.3Å; N39-G110 PolarHBondContact ND2-O 3.43Å; N39-G110 VanDerWaalsContact ND2-O 3.07Å
40F95.3Very high93.6Very high0 Ų032.3 Ų32.30%016%0.158CC..Hα-helixtrans-63.8-50.1-179.7-175.9-102.7000112.5V15 L17 I26 L28 A36 C37 R38 Q42 L43 C44 Y49 F113 F130V15-F40 HydrophobicContact CB-CE1 3.99Å; V15-F40 HydrophobicContact CG1-CE1 3.91Å; V15-F40 HydrophobicContact CG1-CZ 4.48Å; V15-F40 HydrophobicContact CG2-CD1 4.4Å; V15-F40 HydrophobicContact CG2-CE1 4.08Å; L17-F40 HydrophobicContact CD1-CZ 4.31Å; L17-F40 HydrophobicContact CD2-CZ 4.28Å; I26-F40 HydrophobicContact CD1-CE1 4.4Å; I26-F40 HydrophobicContact CD1-CZ 3.91Å; L28-F40 HydrophobicContact CD1-CD1 4.27Å; L28-F40 HydrophobicContact CD2-CD1 3.99Å; L28-F40 HydrophobicContact CD2-CE1 4.3Å; A36-F40 WeakPolarHBondContact O-CB 3.38Å; A36-F40 PolarHBondContact O-N 3.46Å; C37-F40 PolarHBondContact O-N 3.34Å; R38-F40 VanDerWaalsContact C-N 3.34Å; R38-F40 PolarHBondContact O-N 2.97Å; F40-Q42 PolarHBondContact O-N 2.79Å; F40-L43 PolarHBondContact O-N 3.36Å; F40-C44 PolarHBondContact O-N 3.13Å; F40-C44 PolarHBondContact O-SG 3.15Å; F40-Y49 AromaticContact CD2-CE2 3.83Å; F40-Y49 HydrophobicContact CD2-CE2 3.83Å; F40-Y49 HydrophobicContact CE2-CD2 4.47Å; F40-Y49 AromaticContact CE2-CE2 3.87Å; F40-Y49 HydrophobicContact CE2-CE2 3.87Å; F40-F113 HydrophobicContact CE2-CD1 4.19Å; F40-F113 AromaticContact CE2-CE1 4Å; F40-F113 HydrophobicContact CE2-CE1 4Å; F40-F113 HydrophobicContact CE2-CZ 4.29Å; F40-F130 HydrophobicContact CB-CE2 4.01Å; F40-F130 HydrophobicContact CD1-CE2 4.02Å; F40-F130 AromaticContact CD2-CE2 3.96Å; F40-F130 HydrophobicContact CD2-CE2 3.96Å; F40-F130 AromaticContact CD2-CZ 3.98Å; F40-F130 HydrophobicContact CD2-CZ 3.98Å; F40-F130 HydrophobicContact CE2-CE2 4.46Å; F40-F130 HydrophobicContact CE2-CZ 4.4Å; F40-F130 AromaticContact CG-CE2 3.72Å; F40-F130 HydrophobicContact CG-CE2 3.72Å; F40-F130 HydrophobicContact CG-CZ 4.21Å
41V94.9Very high93.5Very high0 Ų036.9 Ų36.90%018%0.182CC..Hα-helixtrans-60.9-45.9-179.9172.20000111V15 L28 C37 C44 M45 V166 I174V15-V41 HydrophobicContact CG2-CG2 4.29Å; L28-V41 HydrophobicContact CD1-CG2 3.49Å; L28-V41 VanDerWaalsContact CD1-CG2 3.49Å; C37-V41 WeakPolarHBondContact O-CB 3.35Å; C37-V41 VanDerWaalsContact O-CG2 3.29Å; C37-V41 WeakPolarHBondContact O-CG2 3.24Å; C37-V41 PolarHBondContact O-N 2.89Å; V41-C44 WeakPolarHBondContact O-CB 3.44Å; V41-C44 PolarHBondContact O-N 2.91Å; V41-M45 HydrophobicContact CG1-CG 4.49Å; V41-M45 HydrophobicContact CG1-SD 4.09Å; V41-M45 WeakPolarHBondContact O-CG 3.38Å; V41-M45 PolarHBondContact O-N 3.35Å; V41-V166 HydrophobicContact CG1-CG1 4.12Å; V41-V166 HydrophobicContact CG1-CG2 4.24Å; V41-I174 HydrophobicContact CB-CD1 4.17Å; V41-I174 HydrophobicContact CG1-CD1 3.87Å
42Q93.7Very high93.4Very high23 Ų2329.3 Ų29.311%0.10715%0.15CC..Hα-helixtrans-65-41.6179.3179.3171.9-13.900112.1R38 F40 C44 M45 E46 I78 I174R38-Q42 VanDerWaalsContact O-CB 3.31Å; R38-Q42 WeakPolarHBondContact O-CB 3.39Å; R38-Q42 PolarHBondContact O-N 3.19Å; F40-Q42 PolarHBondContact O-N 2.79Å; Q42-C44 VanDerWaalsContact C-N 3.3Å; Q42-C44 PolarHBondContact O-N 2.93Å; Q42-M45 PolarHBondContact O-N 2.91Å; Q42-E46 HydrophobicContact CG-CG 4.46Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.36Å; Q42-E46 PolarHBondContact NE2-OE1 2.84Å; Q42-E46 WeakPolarHBondContact O-CB 3.4Å; Q42-E46 WeakPolarHBondContact O-CG 3.49Å; Q42-E46 PolarHBondContact O-N 2.92Å; Q42-I78 HydrophobicContact CB-CD1 4.2Å; Q42-I78 HydrophobicContact CB-CG2 3.94Å; Q42-I78 HydrophobicContact CG-CB 4.48Å; Q42-I78 HydrophobicContact CG-CD1 4.49Å; Q42-I78 HydrophobicContact CG-CG2 3.75Å; Q42-I174 HydrophobicContact CB-CG2 3.68Å; Q42-I174 HydrophobicContact CG-CG2 3.86Å
43L93.9Very high93.4Very high0 Ų028.5 Ų28.50%015%0.147CC..Hα-helixtrans-64.1-34.9175.1-70.9173.3000112.3N39 F40 E46 G47 Y48 Y49 I78N39-L43 WeakPolarHBondContact O-CB 3.29Å; N39-L43 WeakPolarHBondContact O-CG 3.47Å; N39-L43 PolarHBondContact O-N 2.8Å; F40-L43 PolarHBondContact O-N 3.36Å; L43-E46 PolarHBondContact O-N 3.48Å; L43-G47 PolarHBondContact O-N 3.31Å; L43-Y48 HydrophobicContact CB-CD1 4.47Å; L43-Y48 HydrophobicContact CD1-CD1 4.41Å; L43-Y48 HydrophobicContact CD2-CD1 3.92Å; L43-Y48 HydrophobicContact CD2-CD2 4.14Å; L43-Y48 HydrophobicContact CD2-CE1 4.46Å; L43-Y48 HydrophobicContact CD2-CG 3.72Å; L43-Y48 HydrophobicContact CG-CD1 4.48Å; L43-Y48 WeakPolarHBondContact O-CB 3.47Å; L43-Y48 PolarHBondContact O-N 3.37Å; L43-Y49 HydrophobicContact CB-CD2 4.23Å; L43-Y49 HydrophobicContact CB-CE2 3.57Å; L43-Y49 HydrophobicContact CD1-CE2 4.36Å; L43-Y49 VanDerWaalsContact CD1-OH 3.26Å; L43-Y49 WeakPolarHBondContact CD1-OH 3.37Å; L43-I78 HydrophobicContact CD2-CG2 3.82Å; L43-I78 HydrophobicContact CG-CG2 3.78Å
44C93.6Very high93.4Very high5 Ų528.7 Ų28.73%0.03415%0.148CC..Hα-helixtrans-65.5-42.9171.7-69.60000112.1V15 F40 V41 Q42 E46 G47 S164 V166V15-C44 HydrophobicContact CG1-CB 4.35Å; F40-C44 PolarHBondContact O-N 3.13Å; F40-C44 PolarHBondContact O-SG 3.15Å; V41-C44 WeakPolarHBondContact O-CB 3.44Å; V41-C44 PolarHBondContact O-N 2.91Å; Q42-C44 VanDerWaalsContact C-N 3.3Å; Q42-C44 PolarHBondContact O-N 2.93Å; C44-E46 VanDerWaalsContact C-N 3.3Å; C44-E46 PolarHBondContact O-N 3.33Å; C44-G47 PolarHBondContact O-N 3.29Å; C44-G47 VanDerWaalsContact O-N 3.11Å; C44-S164 VanDerWaalsContact CA-OG 3.29Å; C44-S164 WeakPolarHBondContact CA-OG 3.49Å; C44-S164 PolarHBondContact O-OG 3.46Å; C44-S164 VanDerWaalsContact O-OG 3.04Å; C44-V166 HydrophobicContact CB-CG2 3.92Å
45M91.6Very high93.2Very high78 Ų7826.9 Ų26.938%0.38414%0.135SC..Hα-helixtrans-66.8-32.2177-66.7176.975.700112.7V41 Q42 G47 V166 I174 P176V41-M45 HydrophobicContact CG1-CG 4.49Å; V41-M45 HydrophobicContact CG1-SD 4.09Å; V41-M45 WeakPolarHBondContact O-CG 3.38Å; V41-M45 PolarHBondContact O-N 3.35Å; Q42-M45 PolarHBondContact O-N 2.91Å; M45-G47 PolarHBondContact O-N 2.76Å; M45-V166 HydrophobicContact CG-CG2 3.86Å; M45-I174 HydrophobicContact SD-CB 4.49Å; M45-I174 HydrophobicContact SD-CG2 3.85Å; M45-P176 HydrophobicContact CB-CB 4.39Å; M45-P176 HydrophobicContact CB-CG 3.79Å; M45-P176 HydrophobicContact CE-CG 3.87Å; M45-P176 HydrophobicContact SD-CG 4.5Å
46E90.5Very high93.1Very high38 Ų3827.1 Ų27.118%0.17813%0.134CC..THydrogen-bonded Turntrans-73-9.8174-72.1175.9-171.100112.9Q42 L43 C44 Y48 P176 R177Q42-E46 HydrophobicContact CG-CG 4.46Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.36Å; Q42-E46 PolarHBondContact NE2-OE1 2.84Å; Q42-E46 WeakPolarHBondContact O-CB 3.4Å; Q42-E46 WeakPolarHBondContact O-CG 3.49Å; Q42-E46 PolarHBondContact O-N 2.92Å; L43-E46 PolarHBondContact O-N 3.48Å; C44-E46 VanDerWaalsContact C-N 3.3Å; C44-E46 PolarHBondContact O-N 3.33Å; E46-Y48 PolarHBondContact O-N 3.07Å; E46-P176 HydrophobicContact CG-CB 3.9Å; E46-R177 VanDerWaalsContact OE1-CB 3.24Å; E46-R177 WeakPolarHBondContact OE1-CB 3.45Å; E46-R177 VanDerWaalsContact OE1-CG 3.27Å; E46-R177 WeakPolarHBondContact OE1-CG 3.31Å; E46-R177 IonicContact OE1-CZ 3.72Å; E46-R177 PolarHBondContact OE1-N 2.93Å; E46-R177 IonicContact OE1-NE 3.2Å; E46-R177 PolarHBondContact OE1-NE 2.93Å; E46-R177 IonicContact OE1-NH2 2.72Å; E46-R177 IonicContact OE2-CZ 3.81Å; E46-R177 IonicContact OE2-NE 3.91Å; E46-R177 PolarHBondContact OE2-NE 2.96Å; E46-R177 IonicContact OE2-NH2 2.74Å; E46-R177 PolarHBondContact OE2-NH2 3.49Å
47G90.6Very high93.1Very high23 Ų2327.1 Ų27.124%0.23713%0.134CC..THydrogen-bonded Turntrans67.221.7-172.700000113L43 C44 M45 Y49 D50L43-G47 PolarHBondContact O-N 3.31Å; C44-G47 PolarHBondContact O-N 3.29Å; C44-G47 VanDerWaalsContact O-N 3.11Å; M45-G47 PolarHBondContact O-N 2.76Å; G47-Y49 PolarHBondContact O-N 3.49Å; G47-D50 WeakPolarHBondContact CA-OD2 3.48Å; G47-D50 VanDerWaalsContact O-CB 3.31Å; G47-D50 WeakPolarHBondContact O-CB 3.39Å; G47-D50 VanDerWaalsContact O-CG 3.29Å; G47-D50 PolarHBondContact O-N 3.46Å; G47-D50 VanDerWaalsContact O-N 3.14Å
48Y92.3Very high92.9Very high31 Ų3128.8 Ų28.812%0.12214%0.144CC..THydrogen-bonded Turntrans-66.5-27.5-174.7-179.5-91.3000112.9L43 E46 D50 T52 P68 E76L43-Y48 HydrophobicContact CB-CD1 4.47Å; L43-Y48 HydrophobicContact CD1-CD1 4.41Å; L43-Y48 HydrophobicContact CD2-CD1 3.92Å; L43-Y48 HydrophobicContact CD2-CD2 4.14Å; L43-Y48 HydrophobicContact CD2-CE1 4.46Å; L43-Y48 HydrophobicContact CD2-CG 3.72Å; L43-Y48 HydrophobicContact CG-CD1 4.48Å; L43-Y48 WeakPolarHBondContact O-CB 3.47Å; L43-Y48 PolarHBondContact O-N 3.37Å; E46-Y48 PolarHBondContact O-N 3.07Å; Y48-D50 VanDerWaalsContact C-N 3.34Å; Y48-T52 WeakPolarHBondContact O-CG2 3.19Å; Y48-P68 HydrophobicContact CE1-CG 4.19Å; Y48-P68 HydrophobicContact CE2-CG 4.33Å; Y48-P68 WeakPolarHBondContact OH-CD 3.44Å; Y48-P68 VanDerWaalsContact OH-CG 3.27Å; Y48-P68 WeakPolarHBondContact OH-CG 3.4Å; Y48-E76 PolarHBondContact OH-N 3.2Å
49Y94.4Very high92.7Very high0 Ų032.4 Ų32.40%016%0.158CC..THydrogen-bonded Turntrans-87.3-2.3177.5-62.9-56.1000113.8F40 L43 G47 D51 T52 S111 F113 I161F40-Y49 AromaticContact CD2-CE2 3.83Å; F40-Y49 HydrophobicContact CD2-CE2 3.83Å; F40-Y49 HydrophobicContact CE2-CD2 4.47Å; F40-Y49 AromaticContact CE2-CE2 3.87Å; F40-Y49 HydrophobicContact CE2-CE2 3.87Å; L43-Y49 HydrophobicContact CB-CD2 4.23Å; L43-Y49 HydrophobicContact CB-CE2 3.57Å; L43-Y49 HydrophobicContact CD1-CE2 4.36Å; L43-Y49 VanDerWaalsContact CD1-OH 3.26Å; L43-Y49 WeakPolarHBondContact CD1-OH 3.37Å; G47-Y49 PolarHBondContact O-N 3.49Å; Y49-D51 PolarHBondContact O-N 2.87Å; Y49-T52 WeakPolarHBondContact O-CB 3.45Å; Y49-T52 WeakPolarHBondContact O-CG2 3.15Å; Y49-T52 PolarHBondContact O-N 2.94Å; Y49-T52 PolarHBondContact O-OG1 3.39Å; Y49-S111 PolarHBondContact OH-O 2.89Å; Y49-F113 HydrophobicContact CD1-CE1 4.01Å; Y49-F113 HydrophobicContact CE1-CD1 4.13Å; Y49-F113 AromaticContact CE1-CE1 3.69Å; Y49-F113 HydrophobicContact CE1-CE1 3.69Å; Y49-F113 HydrophobicContact CE2-CE1 4.35Å; Y49-F113 HydrophobicContact CG-CE1 4.47Å; Y49-F113 AromaticContact CZ-CE1 3.87Å; Y49-I161 WeakPolarHBondContact O-CB 3.39Å
50D92.7Very high92.4Very high68 Ų6834.9 Ų34.936%0.36418%0.183SC..THydrogen-bonded Turntrans-65.6134.3178.8-59.3-10.3000109.5G47 Y48 T52 S163 S164G47-D50 WeakPolarHBondContact CA-OD2 3.48Å; G47-D50 VanDerWaalsContact O-CB 3.31Å; G47-D50 WeakPolarHBondContact O-CB 3.39Å; G47-D50 VanDerWaalsContact O-CG 3.29Å; G47-D50 PolarHBondContact O-N 3.46Å; G47-D50 VanDerWaalsContact O-N 3.14Å; Y48-D50 VanDerWaalsContact C-N 3.34Å; D50-T52 PolarHBondContact O-N 3.42Å; D50-T52 VanDerWaalsContact O-N 3.11Å; D50-S163 WeakPolarHBondContact OD1-CA 3.24Å; D50-S164 PolarHBondContact OD1-N 3.02Å
51D90.9Very high92.3Very high105 Ų10537.6 Ų37.656%0.56120%0.195SC*.THydrogen-bonded Turntrans5812.2-172.1-72.1-42.7000117.4Y49 I161Y49-D51 PolarHBondContact O-N 2.87Å; D51-I161 VanDerWaalsContact CA-O 3.24Å; D51-I161 WeakPolarHBondContact CA-O 3.31Å; D51-I161 PolarHBondContact N-O 3.17Å
52T93.4Very high92.2Very high6 Ų638.1 Ų38.14%0.03720%0.197CC..  trans-73.814317664.50000112.1Y48 Y49 D50 P68 R160 I161Y48-T52 WeakPolarHBondContact O-CG2 3.19Å; Y49-T52 WeakPolarHBondContact O-CB 3.45Å; Y49-T52 WeakPolarHBondContact O-CG2 3.15Å; Y49-T52 PolarHBondContact O-N 2.94Å; Y49-T52 PolarHBondContact O-OG1 3.39Å; D50-T52 PolarHBondContact O-N 3.42Å; D50-T52 VanDerWaalsContact O-N 3.11Å; T52-P68 HydrophobicContact CG2-CB 4.46Å; T52-R160 CarbonylContact O-C 3.59Å; T52-R160 VanDerWaalsContact O-CA 3.22Å; T52-R160 WeakPolarHBondContact O-CA 3.32Å; T52-I161 PolarHBondContact O-N 3.32Å
53S92.5Very high92.3Very high13 Ų1337 Ų379%0.09119%0.193CC..BIsolated β-bridgetrans-104.8149.3-175.3690000113.5H55 H159S53-H55 PolarHBondContact O-N 3.03Å; S53-H159 WeakPolarHBondContact CA-O 3.25Å
54F93.4Very high92.3Very high5 Ų537.9 Ų37.92%0.02220%0.197CC..  trans-80.795.4169.6-64.2-74.9000109.5T19 V63 Q64 F115 L144 L158 H159 I161T19-F54 HydrophobicContact CG2-CE2 4.31Å; F54-V63 HydrophobicContact CB-CG1 4.05Å; F54-V63 HydrophobicContact CD1-CG1 3.96Å; F54-V63 HydrophobicContact CG-CG1 4.13Å; F54-Q64 CarbonylContact C-O 3.56Å; F54-Q64 WeakPolarHBondContact CA-O 3.41Å; F54-F115 HydrophobicContact CE1-CD2 4.11Å; F54-F115 AromaticContact CE1-CE2 3.75Å; F54-F115 HydrophobicContact CE1-CE2 3.75Å; F54-F115 AromaticContact CZ-CE2 3.97Å; F54-F115 HydrophobicContact CZ-CE2 3.97Å; F54-L144 HydrophobicContact CD2-CD1 4.41Å; F54-L144 HydrophobicContact CD2-CD2 3.89Å; F54-L144 HydrophobicContact CE1-CD1 4.43Å; F54-L144 HydrophobicContact CE2-CD1 3.91Å; F54-L144 HydrophobicContact CE2-CD2 3.8Å; F54-L144 HydrophobicContact CZ-CD1 3.92Å; F54-L158 WeakPolarHBondContact O-CD2 3.32Å; F54-H159 HydrophobicContact CD2-CB 3.85Å; F54-H159 WeakPolarHBondContact CD2-O 3.21Å; F54-H159 PolarHBondContact N-O 3.17Å; F54-I161 HydrophobicContact CE2-CG1 4.03Å; F54-I161 HydrophobicContact CZ-CD1 4.09Å; F54-I161 HydrophobicContact CZ-CG1 3.87Å
55H91Very high92.3Very high13 Ų1337.7 Ų37.76%0.0620%0.195CC..  trans-83.4-17.8-169.458.7-92.4000113.7S53 Q64 G72 R154S53-H55 PolarHBondContact O-N 3.03Å; H55-Q64 PolarHBondContact N-O 3.44Å; H55-G72 VanDerWaalsContact CD2-CA 3.47Å; H55-G72 WeakPolarHBondContact CD2-CA 3.18Å; H55-G72 VanDerWaalsContact NE2-CA 3.33Å; H55-G72 WeakPolarHBondContact NE2-CA 3.38Å; H55-R154 WeakPolarHBondContact O-CA 3.18Å; H55-R154 WeakPolarHBondContact O-CG 3.24Å
56R92.4Very high92.2Very high91 Ų9134 Ų3434%0.34318%0.177SC..EExtended strand (participates in β ladder)trans-134.8130.6-177.9178.8-169.6-169.9-174.43.4111.6Q64 E153R56-Q64 HydrophobicContact CB-CB 4.16Å; R56-Q64 PolarHBondContact O-N 3.26Å; R56-E153 WeakPolarHBondContact CA-O 3.38Å; R56-E153 HydrophobicContact CG-CB 4.05Å; R56-E153 IonicContact CZ-OE2 2.86Å; R56-E153 VanDerWaalsContact CZ-OE2 3.24Å; R56-E153 IonicContact NE-OE2 3.71Å; R56-E153 PolarHBondContact NE-OE2 3.11Å; R56-E153 IonicContact NH2-OE2 3.24Å; R56-E153 PolarHBondContact NH2-OE2 3.46Å
57L92.8Very high92.3Very high1 Ų132.1 Ų32.11%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-134.4118.7179.9171.159.5000110.3V63 L117 I149 E153 P155L57-V63 HydrophobicContact CD1-CB 4.47Å; L57-V63 HydrophobicContact CD1-CG2 3.61Å; L57-L117 HydrophobicContact CD1-CD1 3.92Å; L57-I149 HydrophobicContact CD2-CG1 4.14Å; L57-I149 HydrophobicContact CG-CD1 4.28Å; L57-I149 HydrophobicContact CG-CG1 4.27Å; L57-I149 WeakPolarHBondContact O-CD1 3.29Å; L57-E153 PolarHBondContact N-O 3.33Å; L57-P155 HydrophobicContact CB-CG 3.66Å; L57-P155 HydrophobicContact CD2-CG 4.19Å
58V92.2Very high92.2Very high35 Ų3534 Ų3421%0.21218%0.176CC..EExtended strand (participates in β ladder)trans-112.1108.4170.1-1750000108G60 F61 I62 E153V58-G60 PolarHBondContact O-N 3.38Å; V58-F61 HydrophobicContact CB-CB 4.05Å; V58-F61 HydrophobicContact CB-CD1 4.46Å; V58-F61 HydrophobicContact CG1-CB 3.72Å; V58-F61 HydrophobicContact CG1-CD1 4.33Å; V58-F61 HydrophobicContact CG1-CG 4.47Å; V58-F61 PolarHBondContact O-N 3.01Å; V58-I62 HydrophobicContact CB-CG1 4.39Å; V58-I62 HydrophobicContact CG2-CG1 4.38Å; V58-I62 PolarHBondContact N-O 2.85Å; V58-I62 PolarHBondContact O-N 3.15Å; V58-E153 HydrophobicContact CG2-CG 4.48Å; V58-E153 WeakPolarHBondContact CG2-OE2 3.45Å
59R89.9Confident92.1Very high146 Ų14636.9 Ų36.955%0.55120%0.197SC*.THydrogen-bonded Turntrans-53.2125.4-177-82.5171.5-175.5-151.83.6110.9F61 G147 D148 I149R59-F61 PolarHBondContact O-N 3.03Å; R59-G147 PolarHBondContact NE-O 3.41Å; R59-G147 PolarHBondContact NH2-O 2.98Å; R59-D148 IonicContact NH2-OD1 3.7Å; R59-I149 HydrophobicContact CB-CD1 4.43Å; R59-I149 HydrophobicContact CG-CD1 3.69Å
60G88.3Confident91.6Very high52 Ų5237.2 Ų37.254%0.53620%0.2SC..THydrogen-bonded Turntrans77.5-5.1179.400000115.6V58 G118V58-G60 PolarHBondContact O-N 3.38Å; G60-G118 WeakPolarHBondContact O-CA 3.44Å; G60-G118 PolarHBondContact O-N 2.97Å
61F92.6Very high91.3Very high56 Ų5638.2 Ų38.225%0.24621%0.209CC..THydrogen-bonded Turntrans-113.6-78.4-178.4-169.1-122.4000111.6V58 R59 L117 A120 L123V58-F61 HydrophobicContact CB-CB 4.05Å; V58-F61 HydrophobicContact CB-CD1 4.46Å; V58-F61 HydrophobicContact CG1-CB 3.72Å; V58-F61 HydrophobicContact CG1-CD1 4.33Å; V58-F61 HydrophobicContact CG1-CG 4.47Å; V58-F61 PolarHBondContact O-N 3.01Å; R59-F61 PolarHBondContact O-N 3.03Å; F61-L117 PolarHBondContact O-N 3.15Å; F61-A120 HydrophobicContact CD2-CB 4.04Å; F61-A120 HydrophobicContact CE2-CB 3.52Å; F61-A120 HydrophobicContact CZ-CB 4.21Å; F61-L123 HydrophobicContact CE1-CD1 4.25Å; F61-L123 HydrophobicContact CE2-CD1 4.48Å; F61-L123 HydrophobicContact CZ-CD1 3.83Å; F61-L123 HydrophobicContact CZ-CD2 4.07Å; F61-L123 HydrophobicContact CZ-CG 3.88Å
62I94.2Very high90.9Very high11 Ų1134.2 Ų34.26%0.05619%0.193CC..EExtended strand (participates in β ladder)trans-140.8152.6-175.665.7177.8000113.2V58 F114 F115 L123V58-I62 HydrophobicContact CB-CG1 4.39Å; V58-I62 HydrophobicContact CG2-CG1 4.38Å; V58-I62 PolarHBondContact N-O 2.85Å; V58-I62 PolarHBondContact O-N 3.15Å; I62-F114 HydrophobicContact CB-CB 4.39Å; I62-F114 HydrophobicContact CB-CD2 4.17Å; I62-F114 HydrophobicContact CG2-CD2 3.71Å; I62-F114 HydrophobicContact CG2-CE2 4.13Å; I62-F114 HydrophobicContact CG2-CG 4.45Å; I62-F115 CarbonylContact C-O 3.34Å; I62-F115 VanDerWaalsContact CA-O 3.24Å; I62-F115 WeakPolarHBondContact CA-O 3.27Å; I62-L123 HydrophobicContact CG2-CD1 4.03Å
63V94.3Very high90.5Very high1 Ų142.7 Ų42.71%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-118120.6163.9-169.80000107.9F54 L57 F114 F115 L117 L144F54-V63 HydrophobicContact CB-CG1 4.05Å; F54-V63 HydrophobicContact CD1-CG1 3.96Å; F54-V63 HydrophobicContact CG-CG1 4.13Å; L57-V63 HydrophobicContact CD1-CB 4.47Å; L57-V63 HydrophobicContact CD1-CG2 3.61Å; V63-F114 CarbonylContact O-C 3.58Å; V63-F114 WeakPolarHBondContact O-CA 3.38Å; V63-F114 WeakPolarHBondContact O-CB 3.46Å; V63-F115 PolarHBondContact N-O 2.85Å; V63-F115 PolarHBondContact O-N 3.28Å; V63-L117 HydrophobicContact CG2-CD1 3.57Å; V63-L117 HydrophobicContact CG2-CD2 3.86Å; V63-L117 HydrophobicContact CG2-CG 3.71Å; V63-L144 HydrophobicContact CG1-CB 4.33Å
64Q94.2Very high90.2Very high18 Ų1842.9 Ų42.98%0.08424%0.236CC..EExtended strand (participates in β ladder)trans-109.1138.5-176.1178.9-178.7-7.500111.2F54 H55 R56 A102 F114F54-Q64 CarbonylContact C-O 3.56Å; F54-Q64 WeakPolarHBondContact CA-O 3.41Å; H55-Q64 PolarHBondContact N-O 3.44Å; R56-Q64 HydrophobicContact CB-CB 4.16Å; R56-Q64 PolarHBondContact O-N 3.26Å; Q64-A102 HydrophobicContact CG-CB 4.33Å; Q64-F114 HydrophobicContact CB-CB 4.11Å
65G93.8Very high89.9Confident0 Ų044 Ų440%025%0.25CC..EExtended strand (participates in β ladder)trans-153.7-165.2-179.100000111.9Q112 F113G65-Q112 WeakPolarHBondContact O-CA 3.25Å; G65-F113 PolarHBondContact N-O 2.91Å; G65-F113 PolarHBondContact O-N 3.5Å; G65-F113 VanDerWaalsContact O-O 3.05Å
66G90.8Very high89.8Confident0 Ų048.7 Ų48.70%027%0.271CS..  trans82.616-179.700000114.9S111G66-S111 PolarHBondContact O-OG 3.2Å
67D91.5Very high89.8Confident0 Ų044.5 Ų44.50%026%0.256CS..BIsolated β-bridgetrans-99.6116.7170.1178.915.5000110T69 G70 T71 G72 G74 Q112D67-T69 VanDerWaalsContact C-N 3.29Å; D67-T69 PolarHBondContact O-N 2.83Å; D67-T69 PolarHBondContact OD1-N 3.46Å; D67-T69 PolarHBondContact OD1-OG1 2.89Å; D67-T69 PolarHBondContact OD2-OG1 2.84Å; D67-T69 VanDerWaalsContact OD2-OG1 3.11Å; D67-G70 PolarHBondContact O-N 3.25Å; D67-G70 PolarHBondContact OD2-N 2.98Å; D67-T71 PolarHBondContact OD2-N 3.42Å; D67-T71 PolarHBondContact OD2-OG1 3.36Å; D67-G72 WeakPolarHBondContact OD2-CA 3.28Å; D67-G72 PolarHBondContact OD2-N 2.94Å; D67-G74 WeakPolarHBondContact OD1-CA 3.36Å; D67-Q112 HydrophobicContact CB-CG 4.22Å
68P89.1Confident89.8Confident63 Ų6345.3 Ų45.341%0.40926%0.26SS..THydrogen-bonded Turntrans-67-26.4176.131.8-39.9000113.4Y48 T52 G70Y48-P68 HydrophobicContact CE1-CG 4.19Å; Y48-P68 HydrophobicContact CE2-CG 4.33Å; Y48-P68 WeakPolarHBondContact OH-CD 3.44Å; Y48-P68 VanDerWaalsContact OH-CG 3.27Å; Y48-P68 WeakPolarHBondContact OH-CG 3.4Å; T52-P68 HydrophobicContact CG2-CB 4.46Å; P68-G70 VanDerWaalsContact C-N 3.34Å
69T89.1Confident89.7Confident90 Ų9048.2 Ų48.255%0.55227%0.268SS*.THydrogen-bonded Turntrans-81.8-17.1178.457.40000112.3D67 T71D67-T69 VanDerWaalsContact C-N 3.29Å; D67-T69 PolarHBondContact O-N 2.83Å; D67-T69 PolarHBondContact OD1-N 3.46Å; D67-T69 PolarHBondContact OD1-OG1 2.89Å; D67-T69 PolarHBondContact OD2-OG1 2.84Å; D67-T69 VanDerWaalsContact OD2-OG1 3.11Å; T69-T71 PolarHBondContact O-N 2.88Å; T69-T71 PolarHBondContact OG1-OG1 3.49Å
70G84.9Confident89.6Confident7 Ų744.3 Ų44.37%0.07227%0.273CS..SBendtrans64.119.1-179.300000114.1D67 P68 R154D67-G70 PolarHBondContact O-N 3.25Å; D67-G70 PolarHBondContact OD2-N 2.98Å; P68-G70 VanDerWaalsContact C-N 3.34Å; G70-R154 PolarHBondContact O-NH1 3.42Å; G70-R154 PolarHBondContact O-NH2 2.92Å
71T86Confident89.6Confident90 Ų9048.8 Ų48.855%0.55228%0.28SS*.SBendtrans-94.4-27.2178.952.20000111.4D67 T69D67-T71 PolarHBondContact OD2-N 3.42Å; D67-T71 PolarHBondContact OD2-OG1 3.36Å; T69-T71 PolarHBondContact O-N 2.88Å; T69-T71 PolarHBondContact OG1-OG1 3.49Å
72G83.6Confident89.5Confident21 Ų2149.3 Ų49.322%0.21629%0.289CS..SBendtrans95.8-4.9-175.200000114.1H55 D67 Q112H55-G72 VanDerWaalsContact CD2-CA 3.47Å; H55-G72 WeakPolarHBondContact CD2-CA 3.18Å; H55-G72 VanDerWaalsContact NE2-CA 3.33Å; H55-G72 WeakPolarHBondContact NE2-CA 3.38Å; D67-G72 WeakPolarHBondContact OD2-CA 3.28Å; D67-G72 PolarHBondContact OD2-N 2.94Å; G72-Q112 VanDerWaalsContact C-NE2 3.25Å; G72-Q112 PolarHBondContact O-NE2 3.33Å
73E84.4Confident89.4Confident183 Ų18349.3 Ų49.386%0.85529%0.288SS*.SBendtrans-108.5-13.5178.8-64-17816500112.6
74G85.4Confident89.3Confident17 Ų1754.2 Ų54.218%0.17531%0.31CS..  trans-86169.1-178.500000113.6D67 Q112D67-G74 WeakPolarHBondContact OD1-CA 3.36Å; G74-Q112 WeakPolarHBondContact O-CG 3.36Å; G74-Q112 PolarHBondContact O-NE2 2.92Å
75G87.4Confident89.2Confident30 Ų3054.3 Ų54.331%0.30931%0.311SS..  trans125122.5173.400000113.5S111G75-S111 WeakPolarHBondContact CA-OG 3.41Å
76E90Very high89.1Confident110 Ų11055.2 Ų55.251%0.51432%0.316SS..  trans-113.8146.8-178.3-63177.4165.300110.9Y48 S111 R179Y48-E76 PolarHBondContact OH-N 3.2Å; E76-S111 WeakPolarHBondContact O-CB 3.48Å; E76-R179 IonicContact OE2-CZ 2.7Å; E76-R179 IonicContact OE2-NH1 3.74Å; E76-R179 IonicContact OE2-NH2 3.51Å; E76-R179 PolarHBondContact OE2-NH2 3.38Å
77S92.2Very high89.2Confident3 Ų360.2 Ų60.22%0.02134%0.342CS..  trans-79.6166.5171.7780000111.7N39 Y79 G80 Q81N39-S77 WeakPolarHBondContact OD1-CA 3.18Å; S77-Y79 PolarHBondContact O-N 2.95Å; S77-Y79 PolarHBondContact OG-N 2.89Å; S77-G80 PolarHBondContact O-N 2.86Å; S77-G80 PolarHBondContact OG-N 3.5Å; S77-Q81 PolarHBondContact OG-O 3.13Å
78I91.7Very high89.2Confident18 Ų1863 Ų639%0.09235%0.354CS..THydrogen-bonded Turntrans-62.8-27170.562.1168.7000112.8R38 N39 Q42 L43 G80 R177R38-I78 HydrophobicContact CG-CD1 3.97Å; N39-I78 HydrophobicContact CB-CD1 4.32Å; N39-I78 HydrophobicContact CB-CG1 4.16Å; N39-I78 WeakPolarHBondContact OD1-CG1 3.44Å; N39-I78 PolarHBondContact OD1-N 3.41Å; Q42-I78 HydrophobicContact CB-CD1 4.2Å; Q42-I78 HydrophobicContact CB-CG2 3.94Å; Q42-I78 HydrophobicContact CG-CB 4.48Å; Q42-I78 HydrophobicContact CG-CD1 4.49Å; Q42-I78 HydrophobicContact CG-CG2 3.75Å; L43-I78 HydrophobicContact CD2-CG2 3.82Å; L43-I78 HydrophobicContact CG-CG2 3.78Å; I78-G80 VanDerWaalsContact C-N 3.26Å; I78-G80 PolarHBondContact O-N 3.33Å; I78-R177 PolarHBondContact O-NH1 3.48Å
79Y90.8Very high89.3Confident97 Ų9765.5 Ų65.538%0.3837%0.374SS..THydrogen-bonded Turntrans-80.8-5.4-174.8-50.5-69.1000112.9K35 N39 S77 Q81 F83K35-Y79 PolarHBondContact O-OH 3.4Å; N39-Y79 HydrophobicContact CB-CE2 4.15Å; S77-Y79 PolarHBondContact O-N 2.95Å; S77-Y79 PolarHBondContact OG-N 2.89Å; Y79-Q81 PolarHBondContact O-N 3.09Å; Y79-Q81 VanDerWaalsContact O-N 3.15Å; Y79-F83 HydrophobicContact CD2-CB 3.92Å; Y79-F83 HydrophobicContact CD2-CD1 4.06Å; Y79-F83 HydrophobicContact CD2-CG 4.23Å; Y79-F83 HydrophobicContact CE2-CB 4.1Å; Y79-F83 HydrophobicContact CE2-CD1 4.08Å; Y79-F83 HydrophobicContact CE2-CG 4.1Å
80G87.2Confident89.3Confident63 Ų6366.9 Ų66.965%0.64937%0.369SS*.SBendtrans72.6-3.9-175.400000114.3S77 I78S77-G80 PolarHBondContact O-N 2.86Å; S77-G80 PolarHBondContact OG-N 3.5Å; I78-G80 VanDerWaalsContact C-N 3.26Å; I78-G80 PolarHBondContact O-N 3.33Å
81Q89.1Confident89.7Confident146 Ų14667.2 Ų67.268%0.68237%0.369SS*.SBendtrans-138.1151.8175.8-65.3-177.3-3.700109.7S77 Y79 F83S77-Q81 PolarHBondContact OG-O 3.13Å; Y79-Q81 PolarHBondContact O-N 3.09Å; Y79-Q81 VanDerWaalsContact O-N 3.15Å; Q81-F83 PolarHBondContact O-N 3.43Å
82P90.1Very high90Very high68 Ų6864.3 Ų64.344%0.44235%0.352SS..  trans-56.2139.5172.1-22.233000111.3M108 N109P82-M108 HydrophobicContact CB-CB 4.3Å; P82-M108 HydrophobicContact CB-CE 4.31Å; P82-M108 HydrophobicContact CB-SD 3.7Å; P82-M108 HydrophobicContact CG-CE 3.82Å; P82-M108 HydrophobicContact CG-SD 3.83Å; P82-N109 CarbonylContact C-O 3.59Å; P82-N109 VanDerWaalsContact CA-O 3.23Å; P82-N109 WeakPolarHBondContact CA-O 3.42Å
83F92.3Very high90.4Very high10 Ų1063.5 Ų63.54%0.04434%0.343CS..BIsolated β-bridgetrans-105.2158-176.166.4-90.7000112.9K35 A36 N39 Y79 Q81 M101 N107 N109 G110K35-F83 HydrophobicContact CB-CD2 4.15Å; A36-F83 HydrophobicContact CB-CE2 3.88Å; A36-F83 HydrophobicContact CB-CZ 4.11Å; N39-F83 HydrophobicContact CB-CE1 4.08Å; N39-F83 HydrophobicContact CB-CZ 4.38Å; N39-F83 WeakPolarHBondContact ND2-CE1 3.3Å; Y79-F83 HydrophobicContact CD2-CB 3.92Å; Y79-F83 HydrophobicContact CD2-CD1 4.06Å; Y79-F83 HydrophobicContact CD2-CG 4.23Å; Y79-F83 HydrophobicContact CE2-CB 4.1Å; Y79-F83 HydrophobicContact CE2-CD1 4.08Å; Y79-F83 HydrophobicContact CE2-CG 4.1Å; Q81-F83 PolarHBondContact O-N 3.43Å; F83-M101 HydrophobicContact CE1-CE 4.27Å; F83-M101 HydrophobicContact CZ-CE 3.94Å; F83-M101 HydrophobicContact CZ-CG 4.28Å; F83-M101 HydrophobicContact CZ-SD 4.47Å; F83-N107 CarbonylContact C-O 3.55Å; F83-N107 CarbonylContact O-C 3.45Å; F83-N109 HydrophobicContact CD1-CB 3.77Å; F83-N109 WeakPolarHBondContact CD1-O 3.33Å; F83-N109 HydrophobicContact CD2-CB 3.76Å; F83-N109 HydrophobicContact CE1-CB 3.47Å; F83-N109 VanDerWaalsContact CE1-CB 3.47Å; F83-N109 WeakPolarHBondContact CE1-O 3.43Å; F83-N109 HydrophobicContact CE2-CB 3.44Å; F83-N109 VanDerWaalsContact CE2-CB 3.44Å; F83-N109 HydrophobicContact CG-CB 3.91Å; F83-N109 HydrophobicContact CZ-CB 3.31Å; F83-N109 PolarHBondContact N-O 3.46Å; F83-N109 WeakPolarHBondContact O-CB 3.44Å; F83-N109 PolarHBondContact O-N 3.32Å; F83-N109 PolarHBondContact O-ND2 2.89Å; F83-G110 WeakPolarHBondContact CE1-O 3.47Å
84K92.3Very high90.8Very high104 Ų10459.5 Ų59.545%0.45233%0.327SS..  trans-56.8146.5-178.166.3168.4-168.61700113.3K35 E86 N109K35-K84 HydrophobicContact CD-CD 4.28Å; K35-K84 HydrophobicContact CD-CG 3.9Å; K84-E86 WeakPolarHBondContact CE-OE1 3.48Å; K84-E86 HydrophobicContact CG-CG 4.42Å; K84-E86 IonicContact NZ-OE1 3.29Å; K84-N109 PolarHBondContact O-ND2 3.39Å
85T91.9Very high91.1Very high20 Ų2064 Ų6412%0.12334%0.339CS..  trans-75.6133.1172.7-57.60000109.5I87 N107 N109 K126 T128T85-I87 HydrophobicContact CG2-CD1 4.24Å; T85-I87 HydrophobicContact CG2-CG1 3.89Å; T85-N107 PolarHBondContact N-OD1 3Å; T85-N107 PolarHBondContact OG1-N 3.04Å; T85-N109 WeakPolarHBondContact CA-ND2 3.35Å; T85-N109 PolarHBondContact N-ND2 2.92Å; T85-N109 PolarHBondContact OG1-ND2 2.89Å; T85-K126 WeakPolarHBondContact CG2-O 3.47Å; T85-T128 WeakPolarHBondContact CA-OG1 3.48Å; T85-T128 VanDerWaalsContact CG2-OG1 3.31Å; T85-T128 WeakPolarHBondContact CG2-OG1 3.49Å
86E91.9Very high91.4Very high20 Ų2068.4 Ų68.49%0.09335%0.346CS..  trans-111.5114179.2-63.8-178149.500108.8A33 P34 K35 K84 T128A33-E86 WeakPolarHBondContact CA-OE2 3.45Å; A33-E86 HydrophobicContact CB-CB 4.47Å; P34-E86 VanDerWaalsContact CD-OE2 3.3Å; P34-E86 WeakPolarHBondContact CD-OE2 3.42Å; P34-E86 VanDerWaalsContact N-OE2 3.12Å; K35-E86 WeakPolarHBondContact CB-OE1 3.49Å; K35-E86 WeakPolarHBondContact CG-OE1 3.35Å; K35-E86 PolarHBondContact N-OE2 2.96Å; K84-E86 WeakPolarHBondContact CE-OE1 3.48Å; K84-E86 HydrophobicContact CG-CG 4.42Å; K84-E86 IonicContact NZ-OE1 3.29Å; E86-T128 HydrophobicContact CB-CG2 3.94Å; E86-T128 PolarHBondContact N-OG1 3.5Å; E86-T128 WeakPolarHBondContact O-CA 3.34Å; E86-T128 WeakPolarHBondContact O-CG2 3.44Å
87I91.6Very high91.6Very high105 Ų10563.4 Ų63.454%0.53832%0.324SS..  trans-116.8133.1-176.3-55.3159.7000108.3T85 G125T85-I87 HydrophobicContact CG2-CD1 4.24Å; T85-I87 HydrophobicContact CG2-CG1 3.89Å; I87-G125 WeakPolarHBondContact CD1-O 3.3Å
88H91.7Very high91.8Very high57 Ų5763.3 Ų63.326%0.26432%0.323SS..  trans-126.4133.6176.8-170.4-56.1000110E32 R90 L91E32-H88 HydrophobicContact CB-CB 4.31Å; E32-H88 HydrophobicContact CG-CB 4.45Å; E32-H88 WeakPolarHBondContact CG-CD2 3.26Å; H88-R90 PolarHBondContact CE1-NE 2.84Å; H88-R90 VanDerWaalsContact CE1-NE 3.34Å; H88-R90 PolarHBondContact ND1-N 3.25Å; H88-R90 VanDerWaalsContact ND1-N 3.12Å; H88-R90 PolarHBondContact O-N 3.49Å; H88-L91 HydrophobicContact CB-CB 4.14Å; H88-L91 HydrophobicContact CB-CD1 4.08Å; H88-L91 HydrophobicContact CB-CG 4.13Å; H88-L91 PolarHBondContact O-N 3.47Å; H88-L91 VanDerWaalsContact O-O 3.04Å
89S91Very high92Very high117 Ų11762.4 Ų62.482%0.81832%0.319SS*.THydrogen-bonded Turntrans-57.6-39.8-175.857.80000114.8L91S89-L91 VanDerWaalsContact C-N 3.25Å; S89-L91 PolarHBondContact O-N 3.03Å
90R90.8Very high92.2Very high119 Ų11957.8 Ų57.845%0.44930%0.3SS..THydrogen-bonded Turntrans-69.6-14.8174.1-63-172.6-64176.4-3.2115.1E32 H88E32-R90 IonicContact OE1-NH2 3.09Å; E32-R90 PolarHBondContact OE1-NH2 3.23Å; H88-R90 PolarHBondContact CE1-NE 2.84Å; H88-R90 VanDerWaalsContact CE1-NE 3.34Å; H88-R90 PolarHBondContact ND1-N 3.25Å; H88-R90 VanDerWaalsContact ND1-N 3.12Å; H88-R90 PolarHBondContact O-N 3.49Å
91L92.2Very high92.6Very high13 Ų1354.8 Ų54.87%0.06827%0.27CS..  trans-104.4110-176.5-71-172.6000108.8P9 W29 E32 H88 S89 L129P9-L91 HydrophobicContact CG-CD2 3.96Å; P9-L91 HydrophobicContact CG-CG 4.46Å; W29-L91 HydrophobicContact CB-CD1 4.34Å; W29-L91 HydrophobicContact CD2-CD1 4.23Å; W29-L91 HydrophobicContact CD2-CD2 3.76Å; W29-L91 HydrophobicContact CE3-CD1 4.16Å; W29-L91 HydrophobicContact CE3-CD2 3.91Å; W29-L91 HydrophobicContact CG-CD1 4.32Å; W29-L91 HydrophobicContact CG-CD2 4.33Å; W29-L91 HydrophobicContact CH2-CD2 4.02Å; W29-L91 HydrophobicContact CZ2-CD2 3.87Å; W29-L91 HydrophobicContact CZ3-CD2 4.05Å; E32-L91 HydrophobicContact CB-CD1 3.74Å; E32-L91 HydrophobicContact CG-CD1 4.13Å; H88-L91 HydrophobicContact CB-CB 4.14Å; H88-L91 HydrophobicContact CB-CD1 4.08Å; H88-L91 HydrophobicContact CB-CG 4.13Å; H88-L91 PolarHBondContact O-N 3.47Å; H88-L91 VanDerWaalsContact O-O 3.04Å; S89-L91 VanDerWaalsContact C-N 3.25Å; S89-L91 PolarHBondContact O-N 3.03Å; L91-L129 HydrophobicContact CB-CB 4.41Å; L91-L129 HydrophobicContact CB-CD2 3.92Å; L91-L129 HydrophobicContact CB-CG 4.42Å; L91-L129 HydrophobicContact CD2-CD2 4.34Å
92S92.4Very high92.7Very high30 Ų3048.4 Ų48.421%0.2124%0.241CC..  trans-142.6146.4-176.252.70000110.8N94 L98S92-N94 WeakPolarHBondContact CB-OD1 3.4Å; S92-N94 PolarHBondContact O-N 3.12Å; S92-N94 PolarHBondContact OG-ND2 2.81Å; S92-N94 PolarHBondContact OG-OD1 3.22Å; S92-L98 WeakPolarHBondContact O-CD1 3.49Å
93F93.1Very high92.5Very high3 Ų346.3 Ų46.31%0.01323%0.228CC..  trans-79.161.8-176.7-65.5-78.8000112.4L98 F114 T116 A120 L123 T124 H127 L129F93-L98 HydrophobicContact CB-CD1 4.49Å; F93-L98 HydrophobicContact CD1-CB 4.13Å; F93-L98 HydrophobicContact CD1-CD1 4.13Å; F93-L98 HydrophobicContact CE1-CB 4.47Å; F93-F114 AromaticContact CE1-CE2 3.9Å; F93-F114 HydrophobicContact CE1-CE2 3.9Å; F93-F114 HydrophobicContact CE1-CZ 4.03Å; F93-F114 HydrophobicContact CZ-CE2 4.25Å; F93-F114 AromaticContact CZ-CZ 3.9Å; F93-F114 HydrophobicContact CZ-CZ 3.9Å; F93-T116 HydrophobicContact CD1-CG2 3.67Å; F93-T116 HydrophobicContact CE1-CG2 4.17Å; F93-A120 HydrophobicContact CB-CB 4.16Å; F93-A120 VanDerWaalsContact CB-O 3.24Å; F93-A120 WeakPolarHBondContact CB-O 3.38Å; F93-A120 CarbonylContact O-C 3.59Å; F93-A120 PolarHBondContact O-N 3.35Å; F93-L123 HydrophobicContact CD2-CB 3.81Å; F93-L123 HydrophobicContact CE2-CB 4.02Å; F93-L123 HydrophobicContact CG-CB 4.41Å; F93-T124 PolarHBondContact N-OG1 3.4Å; F93-T124 VanDerWaalsContact N-OG1 3.12Å; F93-H127 HydrophobicContact CE2-CB 4.16Å; F93-H127 HydrophobicContact CZ-CB 4.19Å; F93-L129 HydrophobicContact CD1-CD1 4.15Å; F93-L129 HydrophobicContact CE1-CB 4.22Å; F93-L129 HydrophobicContact CE1-CD1 3.6Å; F93-L129 HydrophobicContact CE1-CG 4.36Å; F93-L129 HydrophobicContact CE2-CB 4.34Å; F93-L129 HydrophobicContact CZ-CB 3.87Å; F93-L129 HydrophobicContact CZ-CD1 4.12Å
94N91.4Very high91.9Very high100 Ų10054.3 Ų54.354%0.53527%0.27SS..  trans-90.6-12.9-173.6-61.5-9.9000113.6S92S92-N94 WeakPolarHBondContact CB-OD1 3.4Å; S92-N94 PolarHBondContact O-N 3.12Å; S92-N94 PolarHBondContact OG-ND2 2.81Å; S92-N94 PolarHBondContact OG-OD1 3.22Å
95R91.7Very high91.1Very high110 Ų11055.9 Ų55.942%0.41528%0.28SS..SBendtrans-144.1164.8-174.961.9-177.4179.2149.55.9111.7E8 L98 T116E8-R95 IonicContact OE1-CZ 3.24Å; E8-R95 IonicContact OE1-NE 2.81Å; E8-R95 PolarHBondContact OE1-NE 3.03Å; E8-R95 IonicContact OE1-NH2 2.77Å; E8-R95 PolarHBondContact OE1-NH2 3.42Å; E8-R95 IonicContact OE2-CZ 3.14Å; E8-R95 IonicContact OE2-NH2 2.82Å; E8-R95 PolarHBondContact OE2-NH2 3.03Å; R95-L98 HydrophobicContact CG-CD1 4.14Å; R95-L98 HydrophobicContact CG-CD2 4.45Å; R95-L98 HydrophobicContact CG-CG 4.2Å; R95-L98 WeakPolarHBondContact O-CD1 3.49Å; R95-T116 PolarHBondContact O-OG1 2.95Å
96R93.9Very high90.5Very high124 Ų12461.7 Ų61.747%0.46831%0.305SS..SBendtrans-70.8157.9169.468.4-175-175.3176.70.7111.6T116 L117R96-T116 CarbonylContact C-O 3.58Å; R96-T116 WeakPolarHBondContact CA-O 3.25Å; R96-L117 WeakPolarHBondContact CB-O 3.45Å
97G94.7Very high89.9Confident4 Ų464.5 Ų64.54%0.04132%0.321CS..SBendtrans81.825.3179.400000113.9T116 R132 V133G97-T116 PolarHBondContact N-O 3.45Å; G97-T116 PolarHBondContact N-OG1 3.13Å; G97-R132 CarbonylContact O-C 3.59Å; G97-R132 WeakPolarHBondContact O-CA 3.43Å; G97-V133 PolarHBondContact O-N 2.98Å
98L95.5Very high89.8Confident1 Ų164.1 Ų64.11%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-101.8147.7172.2-63177.1000109.8W29 S92 F93 R95 F115 T116 L129 R132W29-L98 HydrophobicContact CH2-CD2 3.92Å; W29-L98 HydrophobicContact CZ3-CD2 4.38Å; S92-L98 WeakPolarHBondContact O-CD1 3.49Å; F93-L98 HydrophobicContact CB-CD1 4.49Å; F93-L98 HydrophobicContact CD1-CB 4.13Å; F93-L98 HydrophobicContact CD1-CD1 4.13Å; F93-L98 HydrophobicContact CE1-CB 4.47Å; R95-L98 HydrophobicContact CG-CD1 4.14Å; R95-L98 HydrophobicContact CG-CD2 4.45Å; R95-L98 HydrophobicContact CG-CG 4.2Å; R95-L98 WeakPolarHBondContact O-CD1 3.49Å; L98-F115 WeakPolarHBondContact O-CA 3.45Å; L98-T116 HydrophobicContact CB-CG2 4.2Å; L98-T116 WeakPolarHBondContact CB-OG1 3.43Å; L98-T116 PolarHBondContact N-OG1 3.2Å; L98-T116 PolarHBondContact O-N 2.93Å; L98-L129 HydrophobicContact CB-CD1 3.72Å; L98-L129 HydrophobicContact CD1-CD2 4.17Å; L98-L129 HydrophobicContact CD2-CD1 4.35Å; L98-L129 HydrophobicContact CD2-CD2 4.4Å; L98-L129 HydrophobicContact CG-CD1 4.41Å; L98-R132 HydrophobicContact CD2-CB 4.05Å
99V96.3Very high89.7Confident0 Ų061.4 Ų61.40%031%0.306CS..EExtended strand (participates in β ladder)trans-115.7111.5-177.7-163.90000109.7I26 F113 F114 F115 L129 F130 G131 V133I26-V99 HydrophobicContact CD1-CG2 4.39Å; I26-V99 HydrophobicContact CG1-CG2 4.39Å; I26-V99 HydrophobicContact CG2-CG2 3.91Å; V99-F113 HydrophobicContact CG1-CD2 4.05Å; V99-F114 WeakPolarHBondContact CA-O 3.4Å; V99-F115 HydrophobicContact CB-CD1 4.48Å; V99-F115 HydrophobicContact CB-CE1 4.45Å; V99-F115 HydrophobicContact CG1-CD1 4.32Å; V99-F115 HydrophobicContact CG1-CE1 4.07Å; V99-F115 HydrophobicContact CG2-CD1 3.75Å; V99-F115 HydrophobicContact CG2-CE1 3.6Å; V99-L129 WeakPolarHBondContact O-CD1 3.4Å; V99-F130 HydrophobicContact CB-CE1 4.37Å; V99-F130 HydrophobicContact CB-CZ 4.19Å; V99-F130 HydrophobicContact CG1-CE1 3.76Å; V99-F130 HydrophobicContact CG1-CE2 4.08Å; V99-F130 HydrophobicContact CG1-CZ 3.4Å; V99-F130 WeakPolarHBondContact O-CD1 3.24Å; V99-F130 PolarHBondContact O-N 3.09Å; V99-G131 PolarHBondContact N-O 2.88Å; V99-G131 PolarHBondContact O-N 3.12Å; V99-V133 HydrophobicContact CG2-CG2 4.09Å
100G95.1Very high89.7Confident0 Ų056.6 Ų56.60%027%0.274CS..EExtended strand (participates in β ladder)trans-113.7153.5-179.400000112.7F113 F114 T128G100-F113 CarbonylContact O-C 3.46Å; G100-F113 VanDerWaalsContact O-CA 3.25Å; G100-F113 WeakPolarHBondContact O-CA 3.47Å; G100-F113 WeakPolarHBondContact O-CB 3.3Å; G100-F114 PolarHBondContact N-O 3.5Å; G100-F114 WeakPolarHBondContact O-CD1 3.4Å; G100-F114 PolarHBondContact O-N 2.95Å; G100-T128 CarbonylContact C-O 3.52Å; G100-T128 VanDerWaalsContact CA-O 3.29Å; G100-T128 WeakPolarHBondContact CA-O 3.39Å
101M95.2Very high89.8Confident0 Ų050.9 Ų50.90%025%0.253CS..EExtended strand (participates in β ladder)trans-78.4130.8171.4-66.9-56.6-60.600110.7A36 F83 N109 G110 Q112 F113 F114 H127 T128 F130A36-M101 HydrophobicContact CB-CG 4.15Å; F83-M101 HydrophobicContact CE1-CE 4.27Å; F83-M101 HydrophobicContact CZ-CE 3.94Å; F83-M101 HydrophobicContact CZ-CG 4.28Å; F83-M101 HydrophobicContact CZ-SD 4.47Å; M101-N109 WeakPolarHBondContact CB-OD1 3.39Å; M101-G110 VanDerWaalsContact CE-O 3.22Å; M101-G110 WeakPolarHBondContact CE-O 3.48Å; M101-Q112 VanDerWaalsContact CE-O 3.26Å; M101-Q112 WeakPolarHBondContact CE-O 3.39Å; M101-F113 HydrophobicContact SD-CB 4.36Å; M101-F114 WeakPolarHBondContact O-CE1 3.49Å; M101-H127 PolarHBondContact O-ND1 2.89Å; M101-T128 PolarHBondContact N-O 3.34Å; M101-F130 HydrophobicContact CG-CD1 3.74Å; M101-F130 HydrophobicContact CG-CE1 3.89Å; M101-F130 HydrophobicContact SD-CD1 3.8Å; M101-F130 HydrophobicContact SD-CE1 3.39Å; M101-F130 WeakPolarHBondContact SD-CE1 3.4Å; M101-F130 HydrophobicContact SD-CZ 4.07Å
102A92.6Very high90Very high11 Ų1151.4 Ų51.49%0.09125%0.254CS..  trans-75.5134.417300000109.6Q64 Q112 F114Q64-A102 HydrophobicContact CG-CB 4.33Å; A102-Q112 HydrophobicContact CB-CB 3.82Å; A102-Q112 PolarHBondContact N-O 3.04Å; A102-F114 HydrophobicContact CB-CD1 4.18Å
103C85.6Confident90.1Very high24 Ų2450 Ų5016%0.16224%0.244CC..  trans-140.7139.6179.3-72.30000109.1E105 N109 H127C103-E105 WeakPolarHBondContact CB-O 3.14Å; C103-N109 PolarHBondContact SG-OD1 3.33Å; C103-H127 PolarHBondContact O-CE1 3.41Å
104L78.1Confident90.2Very high178 Ų17850 Ų5093%0.93225%0.245SC*.SBendtrans-80.9-42167.3-70.4160.3000110.3
105E77.4Confident90.4Very high138 Ų13845.3 Ų45.365%0.64522%0.219SC*.SBendtrans-131.5158.5-179.5-66.7-178.617800110.6C103 N107 M108C103-E105 WeakPolarHBondContact CB-O 3.14Å; E105-N107 PolarHBondContact O-N 3.21Å; E105-M108 HydrophobicContact CB-CB 4.44Å; E105-M108 HydrophobicContact CB-CG 4.12Å; E105-M108 PolarHBondContact O-N 3.4Å
106E78.4Confident90.6Very high141 Ų14140 Ų4066%0.65920%0.2SC*.THydrogen-bonded Turntrans-57.6134.8174.3-64.1-179.8-174.900110.1M108E106-M108 VanDerWaalsContact C-N 3.3Å; E106-M108 PolarHBondContact O-N 2.85Å
107N80.1Confident90.6Very high80 Ų8035 Ų3543%0.42818%0.182SC..THydrogen-bonded Turntrans69.914-178.2-49.8-60.9000116.6F83 T85 E105F83-N107 CarbonylContact C-O 3.55Å; F83-N107 CarbonylContact O-C 3.45Å; T85-N107 PolarHBondContact N-OD1 3Å; T85-N107 PolarHBondContact OG1-N 3.04Å; E105-N107 PolarHBondContact O-N 3.21Å
108M87.8Confident90.5Very high97 Ų9735.3 Ų35.348%0.47819%0.185SC..  trans-109.253.3176.3-65.1-68.2-81.800112P82 E105 E106P82-M108 HydrophobicContact CB-CB 4.3Å; P82-M108 HydrophobicContact CB-CE 4.31Å; P82-M108 HydrophobicContact CB-SD 3.7Å; P82-M108 HydrophobicContact CG-CE 3.82Å; P82-M108 HydrophobicContact CG-SD 3.83Å; E105-M108 HydrophobicContact CB-CB 4.44Å; E105-M108 HydrophobicContact CB-CG 4.12Å; E105-M108 PolarHBondContact O-N 3.4Å; E106-M108 VanDerWaalsContact C-N 3.3Å; E106-M108 PolarHBondContact O-N 2.85Å
109N90.9Very high90.4Very high0 Ų039.7 Ų39.70%021%0.213CC..BIsolated β-bridgetrans-82127.6178-60.3-95.2000111P82 F83 K84 T85 M101 C103P82-N109 CarbonylContact C-O 3.59Å; P82-N109 VanDerWaalsContact CA-O 3.23Å; P82-N109 WeakPolarHBondContact CA-O 3.42Å; F83-N109 HydrophobicContact CD1-CB 3.77Å; F83-N109 WeakPolarHBondContact CD1-O 3.33Å; F83-N109 HydrophobicContact CD2-CB 3.76Å; F83-N109 HydrophobicContact CE1-CB 3.47Å; F83-N109 VanDerWaalsContact CE1-CB 3.47Å; F83-N109 WeakPolarHBondContact CE1-O 3.43Å; F83-N109 HydrophobicContact CE2-CB 3.44Å; F83-N109 VanDerWaalsContact CE2-CB 3.44Å; F83-N109 HydrophobicContact CG-CB 3.91Å; F83-N109 HydrophobicContact CZ-CB 3.31Å; F83-N109 PolarHBondContact N-O 3.46Å; F83-N109 WeakPolarHBondContact O-CB 3.44Å; F83-N109 PolarHBondContact O-N 3.32Å; F83-N109 PolarHBondContact O-ND2 2.89Å; K84-N109 PolarHBondContact O-ND2 3.39Å; T85-N109 WeakPolarHBondContact CA-ND2 3.35Å; T85-N109 PolarHBondContact N-ND2 2.92Å; T85-N109 PolarHBondContact OG1-ND2 2.89Å; M101-N109 WeakPolarHBondContact CB-OD1 3.39Å; C103-N109 PolarHBondContact SG-OD1 3.33Å
110G90.9Very high90.2Very high15 Ų1539.8 Ų39.816%0.15521%0.214CC..  trans-108.7-131.317600000113.1N39 F83 M101N39-G110 PolarHBondContact ND2-O 3.43Å; N39-G110 VanDerWaalsContact ND2-O 3.07Å; F83-G110 WeakPolarHBondContact CE1-O 3.47Å; M101-G110 VanDerWaalsContact CE-O 3.22Å; M101-G110 WeakPolarHBondContact CE-O 3.48Å
111S93.5Very high90Very high0 Ų044.2 Ų44.20%024%0.241CC..SBendtrans-96-13.8170.863.40000113.9Y49 G66 G75 E76Y49-S111 PolarHBondContact OH-O 2.89Å; G66-S111 PolarHBondContact O-OG 3.2Å; G75-S111 WeakPolarHBondContact CA-OG 3.41Å; E76-S111 WeakPolarHBondContact O-CB 3.48Å
112Q94.4Very high89.8Confident23 Ų2351 Ų5111%0.10727%0.273CS..  trans-73.7138.5-174.1-62.5-172.910.200112G65 D67 G72 G74 M101 A102G65-Q112 WeakPolarHBondContact O-CA 3.25Å; D67-Q112 HydrophobicContact CB-CG 4.22Å; G72-Q112 VanDerWaalsContact C-NE2 3.25Å; G72-Q112 PolarHBondContact O-NE2 3.33Å; G74-Q112 WeakPolarHBondContact O-CG 3.36Å; G74-Q112 PolarHBondContact O-NE2 2.92Å; M101-Q112 VanDerWaalsContact CE-O 3.26Å; M101-Q112 WeakPolarHBondContact CE-O 3.39Å; A102-Q112 HydrophobicContact CB-CB 3.82Å; A102-Q112 PolarHBondContact N-O 3.04Å
113F95.6Very high89.6Confident0 Ų051.6 Ų51.60%027%0.274CS..EExtended strand (participates in β ladder)trans-139.3163.2177.863.8-91000110.7L17 F40 Y49 G65 V99 G100 M101 F115 F130 I161L17-F113 HydrophobicContact CD1-CE2 4.36Å; L17-F113 HydrophobicContact CD1-CZ 4.09Å; F40-F113 HydrophobicContact CE2-CD1 4.19Å; F40-F113 AromaticContact CE2-CE1 4Å; F40-F113 HydrophobicContact CE2-CE1 4Å; F40-F113 HydrophobicContact CE2-CZ 4.29Å; Y49-F113 HydrophobicContact CD1-CE1 4.01Å; Y49-F113 HydrophobicContact CE1-CD1 4.13Å; Y49-F113 AromaticContact CE1-CE1 3.69Å; Y49-F113 HydrophobicContact CE1-CE1 3.69Å; Y49-F113 HydrophobicContact CE2-CE1 4.35Å; Y49-F113 HydrophobicContact CG-CE1 4.47Å; Y49-F113 AromaticContact CZ-CE1 3.87Å; G65-F113 PolarHBondContact N-O 2.91Å; G65-F113 PolarHBondContact O-N 3.5Å; G65-F113 VanDerWaalsContact O-O 3.05Å; V99-F113 HydrophobicContact CG1-CD2 4.05Å; G100-F113 CarbonylContact O-C 3.46Å; G100-F113 VanDerWaalsContact O-CA 3.25Å; G100-F113 WeakPolarHBondContact O-CA 3.47Å; G100-F113 WeakPolarHBondContact O-CB 3.3Å; M101-F113 HydrophobicContact SD-CB 4.36Å; F113-F115 HydrophobicContact CD2-CE2 4.39Å; F113-F115 HydrophobicContact CD2-CZ 4.39Å; F113-F115 AromaticContact CE2-CE2 3.72Å; F113-F115 HydrophobicContact CE2-CE2 3.72Å; F113-F115 AromaticContact CE2-CZ 3.75Å; F113-F115 HydrophobicContact CE2-CZ 3.75Å; F113-F130 HydrophobicContact CB-CE1 4.2Å; F113-F130 HydrophobicContact CB-CZ 4.26Å; F113-I161 HydrophobicContact CZ-CD1 3.93Å
114F95.3Very high89.8Confident5 Ų553 Ų532%0.02228%0.282CS..EExtended strand (participates in β ladder)trans-134.8149.9177.764.9-94.5000112.1I62 V63 Q64 F93 V99 G100 M101 A102 T116 L123 H127I62-F114 HydrophobicContact CB-CB 4.39Å; I62-F114 HydrophobicContact CB-CD2 4.17Å; I62-F114 HydrophobicContact CG2-CD2 3.71Å; I62-F114 HydrophobicContact CG2-CE2 4.13Å; I62-F114 HydrophobicContact CG2-CG 4.45Å; V63-F114 CarbonylContact O-C 3.58Å; V63-F114 WeakPolarHBondContact O-CA 3.38Å; V63-F114 WeakPolarHBondContact O-CB 3.46Å; Q64-F114 HydrophobicContact CB-CB 4.11Å; F93-F114 AromaticContact CE1-CE2 3.9Å; F93-F114 HydrophobicContact CE1-CE2 3.9Å; F93-F114 HydrophobicContact CE1-CZ 4.03Å; F93-F114 HydrophobicContact CZ-CE2 4.25Å; F93-F114 AromaticContact CZ-CZ 3.9Å; F93-F114 HydrophobicContact CZ-CZ 3.9Å; V99-F114 WeakPolarHBondContact CA-O 3.4Å; G100-F114 PolarHBondContact N-O 3.5Å; G100-F114 WeakPolarHBondContact O-CD1 3.4Å; G100-F114 PolarHBondContact O-N 2.95Å; M101-F114 WeakPolarHBondContact O-CE1 3.49Å; A102-F114 HydrophobicContact CB-CD1 4.18Å; F114-T116 HydrophobicContact CD2-CG2 4.32Å; F114-T116 HydrophobicContact CE2-CG2 4.01Å; F114-L123 HydrophobicContact CE2-CD1 3.75Å; F114-L123 HydrophobicContact CZ-CD1 3.8Å; F114-H127 HydrophobicContact CE1-CB 4.11Å; F114-H127 AromaticContact CE1-CG 3.94Å; F114-H127 AromaticContact CE1-ND1 3.99Å; F114-H127 HydrophobicContact CZ-CB 4.03Å
115F96Very high90.1Very high0 Ų046 Ų460%025%0.254CS..EExtended strand (participates in β ladder)trans-98.1138.9169.1-64.2-70.2000110.2L17 I24 I26 F54 I62 V63 L98 V99 F113 V133 M141 L144L17-F115 HydrophobicContact CD1-CZ 4.2Å; I24-F115 HydrophobicContact CG2-CE1 4.41Å; I24-F115 HydrophobicContact CG2-CZ 4.4Å; I26-F115 HydrophobicContact CD1-CE1 3.9Å; I26-F115 HydrophobicContact CD1-CZ 3.97Å; I26-F115 HydrophobicContact CG1-CE1 4.37Å; F54-F115 HydrophobicContact CE1-CD2 4.11Å; F54-F115 AromaticContact CE1-CE2 3.75Å; F54-F115 HydrophobicContact CE1-CE2 3.75Å; F54-F115 AromaticContact CZ-CE2 3.97Å; F54-F115 HydrophobicContact CZ-CE2 3.97Å; I62-F115 CarbonylContact C-O 3.34Å; I62-F115 VanDerWaalsContact CA-O 3.24Å; I62-F115 WeakPolarHBondContact CA-O 3.27Å; V63-F115 PolarHBondContact N-O 2.85Å; V63-F115 PolarHBondContact O-N 3.28Å; L98-F115 WeakPolarHBondContact O-CA 3.45Å; V99-F115 HydrophobicContact CB-CD1 4.48Å; V99-F115 HydrophobicContact CB-CE1 4.45Å; V99-F115 HydrophobicContact CG1-CD1 4.32Å; V99-F115 HydrophobicContact CG1-CE1 4.07Å; V99-F115 HydrophobicContact CG2-CD1 3.75Å; V99-F115 HydrophobicContact CG2-CE1 3.6Å; F113-F115 HydrophobicContact CD2-CE2 4.39Å; F113-F115 HydrophobicContact CD2-CZ 4.39Å; F113-F115 AromaticContact CE2-CE2 3.72Å; F113-F115 HydrophobicContact CE2-CE2 3.72Å; F113-F115 AromaticContact CE2-CZ 3.75Å; F113-F115 HydrophobicContact CE2-CZ 3.75Å; F115-V133 HydrophobicContact CD1-CG2 3.92Å; F115-V133 HydrophobicContact CE1-CG2 3.93Å; F115-M141 HydrophobicContact CB-CG 3.95Å; F115-M141 HydrophobicContact CB-SD 3.79Å; F115-M141 HydrophobicContact CD1-CG 4.05Å; F115-M141 HydrophobicContact CD2-CG 4.33Å; F115-M141 HydrophobicContact CG-CG 3.87Å; F115-M141 HydrophobicContact CG-SD 4.38Å; F115-L144 HydrophobicContact CD2-CD1 4.36Å; F115-L144 HydrophobicContact CE2-CD1 4.41Å
116T95.7Very high90.6Very high0 Ų045.3 Ų45.30%025%0.248CC..EExtended strand (participates in β ladder)trans-85.2125.717263.30000111.6F93 R95 R96 G97 L98 F114 A120F93-T116 HydrophobicContact CD1-CG2 3.67Å; F93-T116 HydrophobicContact CE1-CG2 4.17Å; R95-T116 PolarHBondContact O-OG1 2.95Å; R96-T116 CarbonylContact C-O 3.58Å; R96-T116 WeakPolarHBondContact CA-O 3.25Å; G97-T116 PolarHBondContact N-O 3.45Å; G97-T116 PolarHBondContact N-OG1 3.13Å; L98-T116 HydrophobicContact CB-CG2 4.2Å; L98-T116 WeakPolarHBondContact CB-OG1 3.43Å; L98-T116 PolarHBondContact N-OG1 3.2Å; L98-T116 PolarHBondContact O-N 2.93Å; F114-T116 HydrophobicContact CD2-CG2 4.32Å; F114-T116 HydrophobicContact CE2-CG2 4.01Å; T116-A120 HydrophobicContact CG2-CB 4.45Å
117L94.1Very high91.3Very high19 Ų1940.1 Ų40.110%0.09922%0.224CC..SBendtrans-89.3-21.7173.2-66.1177.4000112.4L57 F61 V63 R96 M141 L142L57-L117 HydrophobicContact CD1-CD1 3.92Å; F61-L117 PolarHBondContact O-N 3.15Å; V63-L117 HydrophobicContact CG2-CD1 3.57Å; V63-L117 HydrophobicContact CG2-CD2 3.86Å; V63-L117 HydrophobicContact CG2-CG 3.71Å; R96-L117 WeakPolarHBondContact CB-O 3.45Å; L117-M141 HydrophobicContact CD2-CE 4.47Å; L117-M141 HydrophobicContact CD2-SD 3.65Å; L117-L142 HydrophobicContact CD2-CD2 4.11Å
118G92.9Very high92Very high9 Ų936.3 Ų36.39%0.09320%0.204CC..SBendtrans-143.9-175179.400000112.2G60G60-G118 WeakPolarHBondContact O-CA 3.44Å; G60-G118 PolarHBondContact O-N 2.97Å
119P93Very high92.3Very high94 Ų9432.1 Ų32.161%0.6118%0.183SC*.  trans-67.8128.5170.729.1-32.4000109.9
120A91.2Very high92.5Very high1 Ų132.1 Ų32.11%0.00818%0.183CC..  trans-129.857.8-175.700000110.5F61 F93 T116 E122 L123F61-A120 HydrophobicContact CD2-CB 4.04Å; F61-A120 HydrophobicContact CE2-CB 3.52Å; F61-A120 HydrophobicContact CZ-CB 4.21Å; F93-A120 HydrophobicContact CB-CB 4.16Å; F93-A120 VanDerWaalsContact CB-O 3.24Å; F93-A120 WeakPolarHBondContact CB-O 3.38Å; F93-A120 CarbonylContact O-C 3.59Å; F93-A120 PolarHBondContact O-N 3.35Å; T116-A120 HydrophobicContact CG2-CB 4.45Å; A120-E122 PolarHBondContact O-N 2.93Å; A120-E122 VanDerWaalsContact O-N 3.11Å; A120-L123 HydrophobicContact CB-CD1 3.88Å; A120-L123 HydrophobicContact CB-CG 4.16Å; A120-L123 PolarHBondContact O-N 2.89Å
121T91Very high92.8Very high93 Ų9331.4 Ų31.457%0.57118%0.176SC*.G310 helixtrans-57.5-28.7-17651.60000112.8L123 T124T121-L123 PolarHBondContact O-N 3.05Å; T121-T124 VanDerWaalsContact O-CB 3.23Å; T121-T124 WeakPolarHBondContact O-CB 3.4Å; T121-T124 PolarHBondContact O-N 3.01Å; T121-T124 PolarHBondContact O-OG1 2.92Å
122E90.5Very high92.8Very high144 Ų14434 Ų3467%0.67319%0.186SC*.G310 helixtrans-62.4-23.6177.1-58.9179.7-175.900114.5A120A120-E122 PolarHBondContact O-N 2.93Å; A120-E122 VanDerWaalsContact O-N 3.11Å
123L89.9Confident92.9Very high22 Ų2233.5 Ų33.512%0.11518%0.184CC..G310 helixtrans-88.1-12.4177.8-57.4-177.8000112.2F61 I62 F93 F114 A120 T121 G125 K126 H127F61-L123 HydrophobicContact CE1-CD1 4.25Å; F61-L123 HydrophobicContact CE2-CD1 4.48Å; F61-L123 HydrophobicContact CZ-CD1 3.83Å; F61-L123 HydrophobicContact CZ-CD2 4.07Å; F61-L123 HydrophobicContact CZ-CG 3.88Å; I62-L123 HydrophobicContact CG2-CD1 4.03Å; F93-L123 HydrophobicContact CD2-CB 3.81Å; F93-L123 HydrophobicContact CE2-CB 4.02Å; F93-L123 HydrophobicContact CG-CB 4.41Å; F114-L123 HydrophobicContact CE2-CD1 3.75Å; F114-L123 HydrophobicContact CZ-CD1 3.8Å; A120-L123 HydrophobicContact CB-CD1 3.88Å; A120-L123 HydrophobicContact CB-CG 4.16Å; A120-L123 PolarHBondContact O-N 2.89Å; T121-L123 PolarHBondContact O-N 3.05Å; L123-G125 PolarHBondContact O-N 2.87Å; L123-K126 PolarHBondContact O-N 3.18Å; L123-K126 VanDerWaalsContact O-N 3.15Å; L123-H127 PolarHBondContact O-N 2.9Å
124T88.1Confident92.9Very high53 Ų5333.9 Ų33.933%0.32519%0.187SC..THydrogen-bonded Turntrans-68.1126.2-178.7-56.10000109.5F93 T121 K126F93-T124 PolarHBondContact N-OG1 3.4Å; F93-T124 VanDerWaalsContact N-OG1 3.12Å; T121-T124 VanDerWaalsContact O-CB 3.23Å; T121-T124 WeakPolarHBondContact O-CB 3.4Å; T121-T124 PolarHBondContact O-N 3.01Å; T121-T124 PolarHBondContact O-OG1 2.92Å; T124-K126 VanDerWaalsContact C-N 3.31Å
125G84.4Confident92.7Very high33 Ų3336.9 Ų36.934%0.3422%0.22SC..THydrogen-bonded Turntrans85-3.7-176.300000115.1I87 L123I87-G125 WeakPolarHBondContact CD1-O 3.3Å; L123-G125 PolarHBondContact O-N 2.87Å
126K89.4Confident92.6Very high122 Ų12245.2 Ų45.253%0.5326%0.259SS..THydrogen-bonded Turntrans-107.3-42.2174.4-63.8179.7-177.5170.60112.2T85 L123 T124T85-K126 WeakPolarHBondContact CG2-O 3.47Å; L123-K126 PolarHBondContact O-N 3.18Å; L123-K126 VanDerWaalsContact O-N 3.15Å; T124-K126 VanDerWaalsContact C-N 3.31Å
127H92.6Very high92.5Very high32 Ų3245.9 Ų45.915%0.14826%0.263CS..SBendtrans-106.9146.6-178.2-63.4-80.9000111.8F93 M101 C103 F114 L123 L129F93-H127 HydrophobicContact CE2-CB 4.16Å; F93-H127 HydrophobicContact CZ-CB 4.19Å; M101-H127 PolarHBondContact O-ND1 2.89Å; C103-H127 PolarHBondContact O-CE1 3.41Å; F114-H127 HydrophobicContact CE1-CB 4.11Å; F114-H127 AromaticContact CE1-CG 3.94Å; F114-H127 AromaticContact CE1-ND1 3.99Å; F114-H127 HydrophobicContact CZ-CB 4.03Å; L123-H127 PolarHBondContact O-N 2.9Å; H127-L129 PolarHBondContact O-N 3.43Å
128T94Very high92.4Very high0 Ų046.7 Ų46.70%027%0.267CS..  trans-73.3115.6174.2-54.30000109.5A33 A36 T85 E86 G100 M101 F130A33-T128 HydrophobicContact CB-CG2 4.01Å; A36-T128 HydrophobicContact CB-CG2 3.74Å; T85-T128 WeakPolarHBondContact CA-OG1 3.48Å; T85-T128 VanDerWaalsContact CG2-OG1 3.31Å; T85-T128 WeakPolarHBondContact CG2-OG1 3.49Å; E86-T128 HydrophobicContact CB-CG2 3.94Å; E86-T128 PolarHBondContact N-OG1 3.5Å; E86-T128 WeakPolarHBondContact O-CA 3.34Å; E86-T128 WeakPolarHBondContact O-CG2 3.44Å; G100-T128 CarbonylContact C-O 3.52Å; G100-T128 VanDerWaalsContact CA-O 3.29Å; G100-T128 WeakPolarHBondContact CA-O 3.39Å; M101-T128 PolarHBondContact N-O 3.34Å; T128-F130 HydrophobicContact CG2-CB 4.47Å
129L95Very high92.5Very high9 Ų953.1 Ų53.15%0.04729%0.293CS..EExtended strand (participates in β ladder)trans-88.8113170.3177.661.2000108.6W29 L91 F93 L98 V99 H127W29-L129 HydrophobicContact CE3-CG 4.25Å; W29-L129 HydrophobicContact CH2-CD2 4.4Å; W29-L129 HydrophobicContact CZ3-CD1 3.97Å; W29-L129 HydrophobicContact CZ3-CD2 3.96Å; W29-L129 HydrophobicContact CZ3-CG 3.71Å; L91-L129 HydrophobicContact CB-CB 4.41Å; L91-L129 HydrophobicContact CB-CD2 3.92Å; L91-L129 HydrophobicContact CB-CG 4.42Å; L91-L129 HydrophobicContact CD2-CD2 4.34Å; F93-L129 HydrophobicContact CD1-CD1 4.15Å; F93-L129 HydrophobicContact CE1-CB 4.22Å; F93-L129 HydrophobicContact CE1-CD1 3.6Å; F93-L129 HydrophobicContact CE1-CG 4.36Å; F93-L129 HydrophobicContact CE2-CB 4.34Å; F93-L129 HydrophobicContact CZ-CB 3.87Å; F93-L129 HydrophobicContact CZ-CD1 4.12Å; L98-L129 HydrophobicContact CB-CD1 3.72Å; L98-L129 HydrophobicContact CD1-CD2 4.17Å; L98-L129 HydrophobicContact CD2-CD1 4.35Å; L98-L129 HydrophobicContact CD2-CD2 4.4Å; L98-L129 HydrophobicContact CG-CD1 4.41Å; V99-L129 WeakPolarHBondContact O-CD1 3.4Å; H127-L129 PolarHBondContact O-N 3.43Å
130F95.6Very high92.5Very high0 Ų050.4 Ų50.40%027%0.273CS..EExtended strand (participates in β ladder)trans-119.3-11.6-172.272.1-90.4000114.1L28 W29 A33 A36 C37 F40 V99 M101 F113 T128L28-F130 WeakPolarHBondContact CA-O 3.4Å; L28-F130 HydrophobicContact CD2-CD2 3.74Å; L28-F130 HydrophobicContact CD2-CE2 3.87Å; W29-F130 PolarHBondContact N-O 3.16Å; A33-F130 HydrophobicContact CB-CB 3.87Å; A36-F130 HydrophobicContact CB-CB 3.8Å; A36-F130 HydrophobicContact CB-CG 4.21Å; C37-F130 PolarHBondContact SG-O 2.73Å; F40-F130 HydrophobicContact CB-CE2 4.01Å; F40-F130 HydrophobicContact CD1-CE2 4.02Å; F40-F130 AromaticContact CD2-CE2 3.96Å; F40-F130 HydrophobicContact CD2-CE2 3.96Å; F40-F130 AromaticContact CD2-CZ 3.98Å; F40-F130 HydrophobicContact CD2-CZ 3.98Å; F40-F130 HydrophobicContact CE2-CE2 4.46Å; F40-F130 HydrophobicContact CE2-CZ 4.4Å; F40-F130 AromaticContact CG-CE2 3.72Å; F40-F130 HydrophobicContact CG-CE2 3.72Å; F40-F130 HydrophobicContact CG-CZ 4.21Å; V99-F130 HydrophobicContact CB-CE1 4.37Å; V99-F130 HydrophobicContact CB-CZ 4.19Å; V99-F130 HydrophobicContact CG1-CE1 3.76Å; V99-F130 HydrophobicContact CG1-CE2 4.08Å; V99-F130 HydrophobicContact CG1-CZ 3.4Å; V99-F130 WeakPolarHBondContact O-CD1 3.24Å; V99-F130 PolarHBondContact O-N 3.09Å; M101-F130 HydrophobicContact CG-CD1 3.74Å; M101-F130 HydrophobicContact CG-CE1 3.89Å; M101-F130 HydrophobicContact SD-CD1 3.8Å; M101-F130 HydrophobicContact SD-CE1 3.39Å; M101-F130 WeakPolarHBondContact SD-CE1 3.4Å; M101-F130 HydrophobicContact SD-CZ 4.07Å; F113-F130 HydrophobicContact CB-CE1 4.2Å; F113-F130 HydrophobicContact CB-CZ 4.26Å; T128-F130 HydrophobicContact CG2-CB 4.47Å
131G95.7Very high92.6Very high0 Ų050.4 Ų50.40%027%0.273CS..EExtended strand (participates in β ladder)trans-160.2172.1176.900000115E27 W29 V99E27-G131 CarbonylContact O-C 3.56Å; E27-G131 WeakPolarHBondContact O-CA 3.36Å; W29-G131 VanDerWaalsContact CZ3-O 3.27Å; W29-G131 WeakPolarHBondContact CZ3-O 3.35Å; V99-G131 PolarHBondContact N-O 2.88Å; V99-G131 PolarHBondContact O-N 3.12Å
132R95.3Very high92.7Very high55 Ų5547.2 Ų47.221%0.20825%0.252CS..EExtended strand (participates in β ladder)trans-131.8150.4173.865-179.9-171.8-173.63.8110.5E8 T11 I26 E27 W29 G97 L98E8-R132 IonicContact OE2-NH1 2.87Å; E8-R132 PolarHBondContact OE2-NH1 2.99Å; E8-R132 VanDerWaalsContact OE2-NH1 3.09Å; T11-R132 HydrophobicContact CG2-CG 4.23Å; I26-R132 CarbonylContact C-O 3.57Å; I26-R132 WeakPolarHBondContact CA-O 3.29Å; E27-R132 HydrophobicContact CB-CG 4.06Å; E27-R132 PolarHBondContact N-O 3.04Å; E27-R132 PolarHBondContact O-N 3.17Å; E27-R132 IonicContact OE2-CZ 3.46Å; E27-R132 VanDerWaalsContact OE2-CZ 3.24Å; E27-R132 IonicContact OE2-NE 2.78Å; E27-R132 PolarHBondContact OE2-NE 3.34Å; E27-R132 IonicContact OE2-NH2 2.79Å; E27-R132 PolarHBondContact OE2-NH2 3.45Å; W29-R132 HydrophobicContact CH2-CB 3.7Å; W29-R132 HydrophobicContact CH2-CG 4.09Å; W29-R132 HydrophobicContact CZ2-CB 4.26Å; W29-R132 HydrophobicContact CZ2-CG 4.15Å; W29-R132 HydrophobicContact CZ3-CB 4.2Å; G97-R132 CarbonylContact O-C 3.59Å; G97-R132 WeakPolarHBondContact O-CA 3.43Å; L98-R132 HydrophobicContact CD2-CB 4.05Å
133V96.5Very high92.8Very high12 Ų1246.4 Ų46.47%0.07324%0.243CC..EExtended strand (participates in β ladder)trans-81.5134.4175.1-178.80000108.9I24 E25 G97 V99 F115 L138 M141I24-V133 HydrophobicContact CG2-CG1 3.86Å; I24-V133 HydrophobicContact CG2-CG2 4.16Å; E25-V133 CarbonylContact O-C 3.56Å; E25-V133 VanDerWaalsContact O-CA 3.3Å; E25-V133 WeakPolarHBondContact O-CA 3.42Å; G97-V133 PolarHBondContact O-N 2.98Å; V99-V133 HydrophobicContact CG2-CG2 4.09Å; F115-V133 HydrophobicContact CD1-CG2 3.92Å; F115-V133 HydrophobicContact CE1-CG2 3.93Å; V133-L138 HydrophobicContact CB-CD1 4.37Å; V133-L138 HydrophobicContact CG1-CD1 4.43Å; V133-M141 HydrophobicContact CG1-CB 4.49Å; V133-M141 HydrophobicContact CG2-CG 4.43Å
134A95.1Very high92.8Very high9 Ų945.5 Ų45.57%0.07424%0.238CC..  trans-63145.1176.600000110.8E25 E136 T137 L138E25-A134 HydrophobicContact CB-CB 3.87Å; E25-A134 PolarHBondContact O-N 2.88Å; A134-E136 PolarHBondContact O-N 3.44Å; A134-E136 VanDerWaalsContact O-N 3.16Å; A134-T137 PolarHBondContact O-N 3.01Å; A134-T137 VanDerWaalsContact O-N 3.14Å; A134-T137 PolarHBondContact O-OG1 2.94Å; A134-L138 PolarHBondContact O-N 2.95Å; A134-L138 VanDerWaalsContact O-N 3.13Å
135G91.2Very high92.7Very high68 Ų6843.5 Ų43.570%0.70123%0.228SC*.THydrogen-bonded Turntrans-57.8-34.3-173.900000114L138G135-L138 WeakPolarHBondContact O-CB 3.44Å
136E92.3Very high92.7Very high175 Ų17548.6 Ų48.682%0.81824%0.243SC*.THydrogen-bonded Turntrans-66.7-36.1-179.2-63.5174.7-169.600112.6A134A134-E136 PolarHBondContact O-N 3.44Å; A134-E136 VanDerWaalsContact O-N 3.16Å
137T93.8Very high92.2Very high14 Ų1443.5 Ų43.59%0.08623%0.225CC..THydrogen-bonded Turntrans-100.41.9-177.7570000114E23 E25 A134 F139 N140 M141E23-T137 WeakPolarHBondContact O-CB 3.35Å; E23-T137 VanDerWaalsContact O-CG2 3.32Å; E23-T137 WeakPolarHBondContact O-CG2 3.42Å; E25-T137 HydrophobicContact CB-CG2 4.24Å; E25-T137 HydrophobicContact CG-CG2 3.76Å; E25-T137 PolarHBondContact N-OG1 3.23Å; A134-T137 PolarHBondContact O-N 3.01Å; A134-T137 VanDerWaalsContact O-N 3.14Å; A134-T137 PolarHBondContact O-OG1 2.94Å; T137-F139 PolarHBondContact O-N 2.88Å; T137-N140 WeakPolarHBondContact O-CB 3.47Å; T137-N140 PolarHBondContact O-N 3.32Å; T137-N140 VanDerWaalsContact O-N 3.09Å; T137-M141 PolarHBondContact O-N 2.9Å
138L93.9Very high91.8Very high35 Ų3547.3 Ų47.318%0.18325%0.246CC..Hα-helixtrans-58.2-34.4179.4-175.564.8000112.7V133 A134 G135 N140 M141 L142V133-L138 HydrophobicContact CB-CD1 4.37Å; V133-L138 HydrophobicContact CG1-CD1 4.43Å; A134-L138 PolarHBondContact O-N 2.95Å; A134-L138 VanDerWaalsContact O-N 3.13Å; G135-L138 WeakPolarHBondContact O-CB 3.44Å; L138-N140 VanDerWaalsContact C-N 3.34Å; L138-N140 PolarHBondContact O-N 3.41Å; L138-M141 HydrophobicContact CD1-CE 3.53Å; L138-M141 PolarHBondContact O-N 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.45Å; L138-L142 PolarHBondContact O-N 2.94Å
139F94.1Very high91.4Very high145 Ų14550.1 Ų50.164%0.63626%0.261SS*.Hα-helixtrans-65.1-35.6178.2-113.5-85.5000112.8T137 M141 L142 R143T137-F139 PolarHBondContact O-N 2.88Å; F139-M141 VanDerWaalsContact C-N 3.34Å; F139-L142 PolarHBondContact O-N 3.42Å; F139-R143 PolarHBondContact O-N 3.45Å; F139-R143 VanDerWaalsContact O-N 3.16Å
140N93.9Very high90.9Very high37 Ų3751.1 Ų51.120%0.19827%0.274CS..Hα-helixtrans-68.2-38.1177.5-63.6-18.3000110.8V21 E23 I24 T137 L138 R143V21-N140 WeakPolarHBondContact CG1-O 3.29Å; E23-N140 PolarHBondContact O-ND2 3.42Å; I24-N140 HydrophobicContact CG1-CB 4.21Å; T137-N140 WeakPolarHBondContact O-CB 3.47Å; T137-N140 PolarHBondContact O-N 3.32Å; T137-N140 VanDerWaalsContact O-N 3.09Å; L138-N140 VanDerWaalsContact C-N 3.34Å; L138-N140 PolarHBondContact O-N 3.41Å; N140-R143 PolarHBondContact O-N 3.15Å
141M92.9Very high90.2Very high0 Ų062.1 Ų62.10%032%0.315CS..Hα-helixtrans-64.1-41.9173.3-174.7-78.6-6100111.5I24 F115 L117 V133 T137 L138 F139 R143 L144I24-M141 HydrophobicContact CD1-CB 4.1Å; I24-M141 HydrophobicContact CG2-CB 4.49Å; F115-M141 HydrophobicContact CB-CG 3.95Å; F115-M141 HydrophobicContact CB-SD 3.79Å; F115-M141 HydrophobicContact CD1-CG 4.05Å; F115-M141 HydrophobicContact CD2-CG 4.33Å; F115-M141 HydrophobicContact CG-CG 3.87Å; F115-M141 HydrophobicContact CG-SD 4.38Å; L117-M141 HydrophobicContact CD2-CE 4.47Å; L117-M141 HydrophobicContact CD2-SD 3.65Å; V133-M141 HydrophobicContact CG1-CB 4.49Å; V133-M141 HydrophobicContact CG2-CG 4.43Å; T137-M141 PolarHBondContact O-N 2.9Å; L138-M141 HydrophobicContact CD1-CE 3.53Å; L138-M141 PolarHBondContact O-N 3.31Å; F139-M141 VanDerWaalsContact C-N 3.34Å; M141-R143 VanDerWaalsContact C-N 3.29Å; M141-R143 PolarHBondContact O-N 3.2Å; M141-L144 VanDerWaalsContact O-CB 3.23Å; M141-L144 WeakPolarHBondContact O-CB 3.46Å; M141-L144 PolarHBondContact O-N 3.34Å
142L92.5Very high89.5Confident26 Ų2669.5 Ų69.514%0.13636%0.355CS..Hα-helixtrans-61.3-37178-75.1172.4000113.2L117 L138 F139 L144 G145L117-L142 HydrophobicContact CD2-CD2 4.11Å; L138-L142 WeakPolarHBondContact O-CG 3.45Å; L138-L142 PolarHBondContact O-N 2.94Å; F139-L142 PolarHBondContact O-N 3.42Å; L142-L144 PolarHBondContact O-N 2.95Å; L142-G145 WeakPolarHBondContact O-CA 3.38Å; L142-G145 PolarHBondContact O-N 3.48Å
143R91.8Very high89.1Confident127 Ų12770.6 Ų70.648%0.47936%0.362SS..Hα-helixtrans-63.5-23.8174.3-75.2178.1176.3177.9-0.1113.3V21 F139 N140 M141 G145 E146V21-R143 HydrophobicContact CG1-CB 3.17Å; V21-R143 HydrophobicContact CG1-CG 4.14Å; F139-R143 PolarHBondContact O-N 3.45Å; F139-R143 VanDerWaalsContact O-N 3.16Å; N140-R143 PolarHBondContact O-N 3.15Å; M141-R143 VanDerWaalsContact C-N 3.29Å; M141-R143 PolarHBondContact O-N 3.2Å; R143-G145 PolarHBondContact O-N 2.9Å; R143-E146 WeakPolarHBondContact O-CB 3.34Å; R143-E146 PolarHBondContact O-N 3.44Å; R143-E146 VanDerWaalsContact O-N 3.09Å
144L89.8Confident88.6Confident4 Ų475 Ų752%0.02138%0.377CS..Hα-helixtrans-63.5-25.8169.2-62.8171.5000112.1V21 I24 F54 V63 F115 M141 L142 E146 H159V21-L144 HydrophobicContact CB-CD2 4.16Å; V21-L144 HydrophobicContact CG2-CD2 3.63Å; V21-L144 HydrophobicContact CG2-CG 4.47Å; I24-L144 HydrophobicContact CD1-CD1 3.58Å; I24-L144 HydrophobicContact CD1-CG 4.41Å; F54-L144 HydrophobicContact CD2-CD1 4.41Å; F54-L144 HydrophobicContact CD2-CD2 3.89Å; F54-L144 HydrophobicContact CE1-CD1 4.43Å; F54-L144 HydrophobicContact CE2-CD1 3.91Å; F54-L144 HydrophobicContact CE2-CD2 3.8Å; F54-L144 HydrophobicContact CZ-CD1 3.92Å; V63-L144 HydrophobicContact CG1-CB 4.33Å; F115-L144 HydrophobicContact CD2-CD1 4.36Å; F115-L144 HydrophobicContact CE2-CD1 4.41Å; M141-L144 VanDerWaalsContact O-CB 3.23Å; M141-L144 WeakPolarHBondContact O-CB 3.46Å; M141-L144 PolarHBondContact O-N 3.34Å; L142-L144 PolarHBondContact O-N 2.95Å; L144-E146 VanDerWaalsContact C-N 3.33Å; L144-H159 HydrophobicContact CD2-CB 3.5Å; L144-H159 VanDerWaalsContact CD2-CB 3.5Å
145G86.7Confident88.3Confident11 Ų1175.1 Ų75.111%0.11338%0.378CS..THydrogen-bonded Turntrans-81.2-11.417500000114.4L142 R143 G147L142-G145 WeakPolarHBondContact O-CA 3.38Å; L142-G145 PolarHBondContact O-N 3.48Å; R143-G145 PolarHBondContact O-N 2.9Å; G145-G147 PolarHBondContact O-N 2.95Å
146E84.6Confident88Confident140 Ų14078.3 Ų78.365%0.65438%0.378SS*.  trans-91.777.5-179.9-64175.8178.200109.2R143 L144R143-E146 WeakPolarHBondContact O-CB 3.34Å; R143-E146 PolarHBondContact O-N 3.44Å; R143-E146 VanDerWaalsContact O-N 3.09Å; L144-E146 VanDerWaalsContact C-N 3.33Å
147G78.7Confident87.7Confident15 Ų1579.3 Ų79.316%0.15537%0.374CS..SBendtrans-149.8148.7178.600000112.5R59 G145 I149R59-G147 PolarHBondContact NE-O 3.41Å; R59-G147 PolarHBondContact NH2-O 2.98Å; G145-G147 PolarHBondContact O-N 2.95Å; G147-I149 PolarHBondContact O-N 2.95Å
148D84.7Confident87.3Confident111 Ų11181 Ų8159%0.59438%0.382SS*.  trans-71.4127.4172.1-66.7-34.4000110R59 P155 L156R59-D148 IonicContact NH2-OD1 3.7Å; D148-P155 WeakPolarHBondContact O-CA 3.39Å; D148-L156 HydrophobicContact CB-CD1 3.72Å; D148-L156 PolarHBondContact O-N 2.91Å
149I86Confident87.2Confident59 Ų5980.7 Ų80.730%0.30338%0.38SS..BIsolated β-bridgetrans-92.1125.7-176.3-60.8168.9000108.2L57 R59 G147L57-I149 HydrophobicContact CD2-CG1 4.14Å; L57-I149 HydrophobicContact CG-CD1 4.28Å; L57-I149 HydrophobicContact CG-CG1 4.27Å; L57-I149 WeakPolarHBondContact O-CD1 3.29Å; R59-I149 HydrophobicContact CB-CD1 4.43Å; R59-I149 HydrophobicContact CG-CD1 3.69Å; G147-I149 PolarHBondContact O-N 2.95Å
150G83Confident87.2Confident31 Ų3179.6 Ų79.632%0.3237%0.372SS..  trans-82.7-156.7173.200000112.7R154G150-R154 WeakPolarHBondContact CA-O 3.48Å; G150-R154 PolarHBondContact N-O 3.18Å
151R81Confident87.2Confident230 Ų23077.9 Ų77.987%0.86836%0.363SS*.G310 helixtrans-71.4143.6172.5-63.9-179.4-178175.50.5109.4
152N82.5Confident87.3Confident156 Ų15681.7 Ų81.783%0.83439%0.386SS*.G310 helixtrans6538.6178.4-52.2-12.5000115.1R154N152-R154 PolarHBondContact O-N 2.91Å
153E85.7Confident87.4Confident78 Ų7882.2 Ų82.236%0.36439%0.392SS..G310 helixtrans60.812.1177.3-56.2177.5171.400114.3R56 L57 V58R56-E153 WeakPolarHBondContact CA-O 3.38Å; R56-E153 HydrophobicContact CG-CB 4.05Å; R56-E153 IonicContact CZ-OE2 2.86Å; R56-E153 VanDerWaalsContact CZ-OE2 3.24Å; R56-E153 IonicContact NE-OE2 3.71Å; R56-E153 PolarHBondContact NE-OE2 3.11Å; R56-E153 IonicContact NH2-OE2 3.24Å; R56-E153 PolarHBondContact NH2-OE2 3.46Å; L57-E153 PolarHBondContact N-O 3.33Å; V58-E153 HydrophobicContact CG2-CG 4.48Å; V58-E153 WeakPolarHBondContact CG2-OE2 3.45Å
154R87Confident87.5Confident103 Ų10377.1 Ų77.139%0.38938%0.375SS..  trans-87123.7179.9-173.8173.5-176124.41.7110.5H55 G70 G150 N152 L158H55-R154 WeakPolarHBondContact O-CA 3.18Å; H55-R154 WeakPolarHBondContact O-CG 3.24Å; G70-R154 PolarHBondContact O-NH1 3.42Å; G70-R154 PolarHBondContact O-NH2 2.92Å; G150-R154 WeakPolarHBondContact CA-O 3.48Å; G150-R154 PolarHBondContact N-O 3.18Å; N152-R154 PolarHBondContact O-N 2.91Å; R154-L158 HydrophobicContact CG-CD2 4.16Å
155P87.4Confident87.6Confident13 Ų1380 Ų808%0.08440%0.395CS..BIsolated β-bridgetrans-59.2142.2174.9-22.531.7000112.3L57 D148 R157 L158L57-P155 HydrophobicContact CB-CG 3.66Å; L57-P155 HydrophobicContact CD2-CG 4.19Å; D148-P155 WeakPolarHBondContact O-CA 3.39Å; P155-R157 VanDerWaalsContact C-N 3.34Å; P155-R157 WeakPolarHBondContact CB-O 3.39Å; P155-L158 HydrophobicContact CB-CD2 4.26Å; P155-L158 HydrophobicContact CG-CD2 4.36Å
156L86.4Confident88Confident134 Ų13481.1 Ų81.170%0.70240%0.399SS*.SBendtrans-64.6-41171.4-78.9162.9000111.3D148D148-L156 HydrophobicContact CB-CD1 3.72Å; D148-L156 PolarHBondContact O-N 2.91Å
157R85Confident88.4Confident197 Ų19778.7 Ų78.774%0.74339%0.39SS*.SBendtrans-105.1108.4172.8-173.7177.5176.9121.3-1.4109P155 H159P155-R157 VanDerWaalsContact C-N 3.34Å; P155-R157 WeakPolarHBondContact CB-O 3.39Å; R157-H159 PolarHBondContact O-N 3.31Å
158L86.1Confident89.1Confident48 Ų4881.9 Ų81.925%0.25140%0.403SS..  trans-81.8115.5179.5-63.1171.5000110F54 R154 P155F54-L158 WeakPolarHBondContact O-CD2 3.32Å; R154-L158 HydrophobicContact CG-CD2 4.16Å; P155-L158 HydrophobicContact CB-CD2 4.26Å; P155-L158 HydrophobicContact CG-CD2 4.36Å
159H91.8Very high89.4Confident30 Ų3079.2 Ų79.214%0.13939%0.389CS..  trans-71.8146.1166.1-66.1-57.7000110.1T20 V21 S53 F54 L144 R157T20-H159 WeakPolarHBondContact OG1-CA 3.46Å; T20-H159 WeakPolarHBondContact OG1-CB 3.44Å; T20-H159 PolarHBondContact OG1-ND1 3.36Å; V21-H159 HydrophobicContact CG2-CB 4.23Å; V21-H159 WeakPolarHBondContact CG2-CE1 3.46Å; V21-H159 WeakPolarHBondContact CG2-ND1 3.44Å; S53-H159 WeakPolarHBondContact CA-O 3.25Å; F54-H159 HydrophobicContact CD2-CB 3.85Å; F54-H159 WeakPolarHBondContact CD2-O 3.21Å; F54-H159 PolarHBondContact N-O 3.17Å; L144-H159 HydrophobicContact CD2-CB 3.5Å; L144-H159 VanDerWaalsContact CD2-CB 3.5Å; R157-H159 PolarHBondContact O-N 3.31Å
160R93.2Very high89.6Confident122 Ų12277.5 Ų77.546%0.4638%0.382SS..BIsolated β-bridgetrans-125.3154.7-179.1-59.4-174.1-175.6-155.20.4111.7T19 T20 T52T19-R160 CarbonylContact C-O 3.56Å; T19-R160 VanDerWaalsContact CA-O 3.26Å; T19-R160 WeakPolarHBondContact CA-O 3.42Å; T19-R160 WeakPolarHBondContact CB-O 3.4Å; T20-R160 HydrophobicContact CG2-CB 4.11Å; T20-R160 PolarHBondContact N-O 3.46Å; T20-R160 PolarHBondContact OG1-N 2.93Å; T52-R160 CarbonylContact O-C 3.59Å; T52-R160 VanDerWaalsContact O-CA 3.22Å; T52-R160 WeakPolarHBondContact O-CA 3.32Å
161I95.4Very high90Very high1 Ų177.4 Ų77.41%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-86.7116.3166.5-58.3174.2000106.3L17 K18 T19 Y49 D51 T52 F54 F113L17-I161 HydrophobicContact CD1-CD1 4.25Å; L17-I161 HydrophobicContact CD2-CG2 4.49Å; K18-I161 CarbonylContact O-C 3.45Å; T19-I161 HydrophobicContact CG2-CG1 4.22Å; Y49-I161 WeakPolarHBondContact O-CB 3.39Å; D51-I161 VanDerWaalsContact CA-O 3.24Å; D51-I161 WeakPolarHBondContact CA-O 3.31Å; D51-I161 PolarHBondContact N-O 3.17Å; T52-I161 PolarHBondContact O-N 3.32Å; F54-I161 HydrophobicContact CE2-CG1 4.03Å; F54-I161 HydrophobicContact CZ-CD1 4.09Å; F54-I161 HydrophobicContact CZ-CG1 3.87Å; F113-I161 HydrophobicContact CZ-CD1 3.93Å
162V94Very high90.3Very high80 Ų8074.5 Ų74.549%0.48537%0.373SS..EExtended strand (participates in β ladder)trans-76.8-47.4179.9177.70000110K18K18-V162 PolarHBondContact O-N 2.98Å
163S94.3Very high90.7Very high37 Ų3771.5 Ų71.526%0.25936%0.357SS..EExtended strand (participates in β ladder)trans-156.1151.9179.465.40000110.6K18 D50K18-S163 WeakPolarHBondContact CD-OG 3.43Å; K18-S163 PolarHBondContact N-O 2.98Å; K18-S163 PolarHBondContact O-N 3.23Å; D50-S163 WeakPolarHBondContact OD1-CA 3.24Å
164S93.9Very high90.8Very high20 Ų2068.4 Ų68.414%0.1434%0.343CS..EExtended strand (participates in β ladder)trans-110.7139.517057.80000112.1C44 D50C44-S164 VanDerWaalsContact CA-OG 3.29Å; C44-S164 WeakPolarHBondContact CA-OG 3.49Å; C44-S164 PolarHBondContact O-OG 3.46Å; C44-S164 VanDerWaalsContact O-OG 3.04Å; D50-S164 PolarHBondContact OD1-N 3.02Å
165C93.3Very high90.7Very high63 Ų6371.5 Ų71.543%0.42636%0.362SS..EExtended strand (participates in β ladder)trans-132.6124.9-179.7-178.40000109.9V15 I16V15-C165 CarbonylContact C-O 3.57Å; V15-C165 WeakPolarHBondContact CA-O 3.32Å; I16-C165 HydrophobicContact CB-CB 4.5Å; I16-C165 PolarHBondContact N-O 3.31Å; I16-C165 PolarHBondContact O-N 3.05Å
166V93.9Very high90.5Very high35 Ų3573.5 Ų73.521%0.21238%0.375CS..EExtended strand (participates in β ladder)trans-92.2112.8177.3-1780000108.4V15 V41 C44 M45 N169V15-V166 HydrophobicContact CG1-CG2 4.49Å; V15-V166 HydrophobicContact CG2-CG1 4.35Å; V15-V166 HydrophobicContact CG2-CG2 4.23Å; V41-V166 HydrophobicContact CG1-CG1 4.12Å; V41-V166 HydrophobicContact CG1-CG2 4.24Å; C44-V166 HydrophobicContact CB-CG2 3.92Å; M45-V166 HydrophobicContact CG-CG2 3.86Å; V166-N169 HydrophobicContact CG1-CB 3.91Å
167I93.2Very high90.4Very high90 Ų9070.6 Ų70.646%0.46236%0.355SS..EExtended strand (participates in β ladder)trans-82-49.8179.1-46.3178.2000110.3K14 I16K14-I167 HydrophobicContact CB-CB 4.46Å; K14-I167 HydrophobicContact CD-CD1 3.76Å; K14-I167 HydrophobicContact CG-CD1 3.86Å; K14-I167 HydrophobicContact CG-CG1 4.5Å; K14-I167 PolarHBondContact O-N 3.48Å; I16-I167 HydrophobicContact CD1-CD1 3.4Å; I16-I167 VanDerWaalsContact CD1-CD1 3.4Å; I16-I167 HydrophobicContact CD1-CG1 3.86Å; I16-I167 HydrophobicContact CG1-CD1 3.38Å; I16-I167 HydrophobicContact CG1-CG1 3.63Å
168L92.8Very high89.5Confident82 Ų8270.4 Ų70.443%0.42936%0.362SS..EExtended strand (participates in β ladder)trans-127.5103.8-176.4-170.6146.6000107.7G13 K14 P170G13-L168 WeakPolarHBondContact CA-O 3.35Å; K14-L168 HydrophobicContact CB-CB 4.11Å; K14-L168 PolarHBondContact N-O 3.05Å; K14-L168 PolarHBondContact O-N 3.42Å; L168-P170 WeakPolarHBondContact O-CD 3.44Å
169N91.9Very high88.2Confident54 Ų5473.1 Ų73.129%0.28937%0.369SS..  trans-86.5120174.6-174.74000109.2V166 Y171V166-N169 HydrophobicContact CG1-CB 3.91Å; N169-Y171 VanDerWaalsContact C-N 3.31Å; N169-Y171 VanDerWaalsContact CG-O 3.22Å; N169-Y171 PolarHBondContact ND2-O 3Å; N169-Y171 PolarHBondContact OD1-N 3.26Å; N169-Y171 PolarHBondContact OD1-O 2.9Å
170P89.3Confident86.3Confident24 Ų2477.3 Ų77.316%0.15640%0.399CS..SBendtrans-82.6-5.2177.133.1-34.3000113.9H12 L168H12-P170 WeakPolarHBondContact CD2-CB 3.34Å; L168-P170 WeakPolarHBondContact O-CD 3.44Å
171Y91.8Very high84.2Confident29 Ų2981 Ų8111%0.11442%0.418CS..  trans-122119.5-176.5-56.7-70.5000111S30 P34 C37 R38 N169 D173 I174S30-Y171 VanDerWaalsContact CB-OH 3.32Å; S30-Y171 WeakPolarHBondContact CB-OH 3.44Å; S30-Y171 PolarHBondContact O-OH 3.34Å; S30-Y171 VanDerWaalsContact O-OH 3.09Å; P34-Y171 VanDerWaalsContact CA-OH 3.28Å; P34-Y171 WeakPolarHBondContact CA-OH 3.44Å; P34-Y171 PolarHBondContact O-OH 3.38Å; C37-Y171 HydrophobicContact CB-CE2 4.16Å; R38-Y171 HydrophobicContact CB-CD2 4.34Å; R38-Y171 HydrophobicContact CB-CE2 3.99Å; N169-Y171 VanDerWaalsContact C-N 3.31Å; N169-Y171 VanDerWaalsContact CG-O 3.22Å; N169-Y171 PolarHBondContact ND2-O 3Å; N169-Y171 PolarHBondContact OD1-N 3.26Å; N169-Y171 PolarHBondContact OD1-O 2.9Å; Y171-D173 VanDerWaalsContact C-N 3.34Å; Y171-I174 HydrophobicContact CD2-CD1 3.67Å; Y171-I174 HydrophobicContact CG-CD1 3.99Å; Y171-I174 HydrophobicContact CG-CG1 4.46Å
172D87.5Confident81.8Confident168 Ų16889.4 Ų89.490%0.89846%0.458SS*.THydrogen-bonded Turntrans-80.8-16.5179.9-59.9-31.3000113
173D91Very high79Confident93 Ų9392.9 Ų92.950%0.49747%0.472SS..THydrogen-bonded Turntrans-96.29.2-172.267.8-35.8000114.2R38 Y171 E175R38-D173 IonicContact CZ-OD1 3.28Å; R38-D173 IonicContact CZ-OD2 2.95Å; R38-D173 IonicContact NH1-OD1 3.58Å; R38-D173 IonicContact NH1-OD2 3.18Å; R38-D173 PolarHBondContact NH1-OD2 3.47Å; R38-D173 IonicContact NH2-OD1 3.87Å; R38-D173 PolarHBondContact NH2-OD1 2.8Å; R38-D173 IonicContact NH2-OD2 3.59Å; R38-D173 PolarHBondContact NH2-OD2 2.9Å; Y171-D173 VanDerWaalsContact C-N 3.34Å; D173-E175 PolarHBondContact O-N 3.42Å
174I87Confident76.4Confident14 Ų1496.2 Ų96.27%0.07249%0.49CS..  trans-83.2109.9179.2-64.2179.4000109.7R38 V41 Q42 M45 Y171R38-I174 HydrophobicContact CG-CD1 4.1Å; R38-I174 HydrophobicContact CG-CG1 4.34Å; V41-I174 HydrophobicContact CB-CD1 4.17Å; V41-I174 HydrophobicContact CG1-CD1 3.87Å; Q42-I174 HydrophobicContact CB-CG2 3.68Å; Q42-I174 HydrophobicContact CG-CG2 3.86Å; M45-I174 HydrophobicContact SD-CB 4.49Å; M45-I174 HydrophobicContact SD-CG2 3.85Å; Y171-I174 HydrophobicContact CD2-CD1 3.67Å; Y171-I174 HydrophobicContact CG-CD1 3.99Å; Y171-I174 HydrophobicContact CG-CG1 4.46Å
175E85.2Confident73.6Confident168 Ų168104.2 Ų104.279%0.78553%0.526SS*.  trans-101.2115.5167.5-66.9-176.9178.500109.7D173 R177D173-E175 PolarHBondContact O-N 3.42Å; E175-R177 PolarHBondContact O-N 3.26Å
176P84.4Confident71Confident55 Ų55105.1 Ų105.136%0.35753%0.532SS..  trans-62.1135.1177.6-23.834.9000111.9M45 E46 H178M45-P176 HydrophobicContact CB-CB 4.39Å; M45-P176 HydrophobicContact CB-CG 3.79Å; M45-P176 HydrophobicContact CE-CG 3.87Å; M45-P176 HydrophobicContact SD-CG 4.5Å; E46-P176 HydrophobicContact CG-CB 3.9Å; P176-H178 PolarHBondContact O-N 3.02Å
177R83.3Confident68.4Low72 Ų72105.9 Ų105.927%0.27255%0.548SS..  trans-71.2129.3174.5-61.6170.8-62.8176.26.5109.6E46 I78 E175 R179E46-R177 VanDerWaalsContact OE1-CB 3.24Å; E46-R177 WeakPolarHBondContact OE1-CB 3.45Å; E46-R177 VanDerWaalsContact OE1-CG 3.27Å; E46-R177 WeakPolarHBondContact OE1-CG 3.31Å; E46-R177 IonicContact OE1-CZ 3.72Å; E46-R177 PolarHBondContact OE1-N 2.93Å; E46-R177 IonicContact OE1-NE 3.2Å; E46-R177 PolarHBondContact OE1-NE 2.93Å; E46-R177 IonicContact OE1-NH2 2.72Å; E46-R177 IonicContact OE2-CZ 3.81Å; E46-R177 IonicContact OE2-NE 3.91Å; E46-R177 PolarHBondContact OE2-NE 2.96Å; E46-R177 IonicContact OE2-NH2 2.74Å; E46-R177 PolarHBondContact OE2-NH2 3.49Å; I78-R177 PolarHBondContact O-NH1 3.48Å; E175-R177 PolarHBondContact O-N 3.26Å; R177-R179 VanDerWaalsContact C-N 3.32Å; R177-R179 PolarHBondContact O-N 2.98Å
178H65.8Low65.7Low194 Ų194105.7 Ų105.790%0.89855%0.552SS**  trans-72.787.1166.4-71.7-53.5000109.9P176P176-H178 PolarHBondContact O-N 3.02Å
179R59.5Low63.2Low105 Ų105109.3 Ų109.340%0.39657%0.567SS.*  trans-76.5132163.3-68.2-176.7174.2-147.1-7.6107.5E76 R177 K181E76-R179 IonicContact OE2-CZ 2.7Å; E76-R179 IonicContact OE2-NH1 3.74Å; E76-R179 IonicContact OE2-NH2 3.51Å; E76-R179 PolarHBondContact OE2-NH2 3.38Å; R177-R179 VanDerWaalsContact C-N 3.32Å; R177-R179 PolarHBondContact O-N 2.98Å; R179-K181 PolarHBondContact O-N 2.98Å
180P50.6Low60.8Low118 Ų118115.3 Ų115.377%0.76659%0.593SS**  trans-58.7118.6168.225.7-31.2000106.3Q182P180-Q182 PolarHBondContact O-N 3.31Å
181K50.3Low58.4Low198 Ų198121.5 Ų121.586%0.86162%0.62SS**  trans-49.4115.2171.8-77.7-178.3176.3-176.40106R179 I183R179-K181 PolarHBondContact O-N 2.98Å; K181-I183 VanDerWaalsContact C-N 3.27Å; K181-I183 PolarHBondContact O-N 3.22Å
182Q45.8Very low56Low179 Ų179127.7 Ų127.784%0.83665%0.654SS**  trans-61.1105.9166.7-77.1-175.9-7.400104.3P180 V184P180-Q182 PolarHBondContact O-N 3.31Å; Q182-V184 PolarHBondContact O-N 3.45Å
183I33.5Very low53.7Low153 Ų153127.2 Ų127.279%0.78564%0.644SS**  trans-64.483.9165.7-58.5167000103.8K181 Q185K181-I183 VanDerWaalsContact C-N 3.27Å; K181-I183 PolarHBondContact O-N 3.22Å; I183-Q185 PolarHBondContact O-N 3.45Å
184V41Very low51.4Low106 Ų106129.4 Ų129.464%0.64266%0.661SS**  trans-55.3122.1153-179.30000102.8Q182 S186Q182-V184 PolarHBondContact O-N 3.45Å; V184-S186 PolarHBondContact O-N 3.45Å
185Q35Very low48.9Very low189 Ų189134.6 Ų134.688%0.88369%0.693SS**  trans-65.471.4169.8-66.1176.3-1.700107.4I183 G187I183-Q185 PolarHBondContact O-N 3.45Å; Q185-G187 PolarHBondContact O-N 3Å
186S38.4Very low47.1Very low81 Ų81130.2 Ų130.257%0.56669%0.686SS**  trans-60.8116.8154.740.10000104.6V184V184-S186 PolarHBondContact O-N 3.45Å
187G39.9Very low45.3Very low52 Ų52137.7 Ų137.754%0.53671%0.713SS.*  trans-49.5158.8167.100000109.6Q185 E189Q185-G187 PolarHBondContact O-N 3Å; G187-E189 PolarHBondContact O-N 3.42Å
188P36.9Very low43.6Very low86 Ų86138.5 Ų138.556%0.55874%0.735SS**  trans-52.5107.3-170.924.8-33.1000108.8E190 I289P188-E190 PolarHBondContact O-N 3.34Å; P188-E190 VanDerWaalsContact O-N 3.07Å; P188-I289 HydrophobicContact CG-CD1 4.02Å
189E38.9Very low43.2Very low158 Ų158134.8 Ų134.874%0.73873%0.726SS**  trans-58.3115.7161.2-70.9-178.2170.400103.9G187 E191G187-E189 PolarHBondContact O-N 3.42Å; E189-E191 PolarHBondContact O-N 2.98Å
190E40.9Very low43.1Very low180 Ų180136.3 Ų136.384%0.84174%0.735SS**  trans-51.5100.8168.7-73.3176.6154.100106.4P188 L192P188-E190 PolarHBondContact O-N 3.34Å; P188-E190 VanDerWaalsContact O-N 3.07Å; E190-L192 PolarHBondContact O-N 2.9Å
191E39.3Very low43.5Very low153 Ų153135.7 Ų135.772%0.71573%0.726SS**  trans-52.999.4154.3-71.8-174.7163.900105E189 K193E189-E191 PolarHBondContact O-N 2.98Å; E191-K193 PolarHBondContact O-N 2.73Å
192L40.9Very low44Very low160 Ų160128.6 Ų128.684%0.83870%0.695SS**  trans-58.683.5157.5-83.3160.5000105.8E190 V194E190-L192 PolarHBondContact O-N 2.9Å; L192-V194 PolarHBondContact O-N 3.46Å
193K40.8Very low45Very low157 Ų157125.4 Ų125.468%0.68369%0.693SS**  trans-53.2110.6161-79.5-178.9177.5173.20105.1E191 T195E191-K193 PolarHBondContact O-N 2.73Å; K193-T195 HydrophobicContact CB-CG2 3.94Å; K193-T195 PolarHBondContact O-N 3.13Å
194V41.6Very low46.4Very low140 Ų140125.3 Ų125.385%0.84869%0.693SS**  trans-67.976.4166.8-173.90000106.6L192 A196L192-V194 PolarHBondContact O-N 3.46Å; V194-A196 PolarHBondContact O-N 3.47Å
195T35.6Very low47.3Very low122 Ų122126 Ų12675%0.74869%0.692SS**  trans-98.875.6172.550.80000108.4K193K193-T195 HydrophobicContact CB-CG2 3.94Å; K193-T195 PolarHBondContact O-N 3.13Å
196A46.5Very low48.7Very low77 Ų77122.5 Ų122.564%0.63669%0.688SS**  trans-157.6114.4147.800000106.6V194 A198V194-A196 PolarHBondContact O-N 3.47Å; A196-A198 VanDerWaalsContact C-N 3.25Å; A196-A198 PolarHBondContact O-N 2.97Å
197K46.6Very low49.7Very low211 Ų211125.9 Ų125.992%0.91769%0.693SS**  trans-60.997.7161.8-71.4176.6177.91790105.8T199K197-T199 PolarHBondContact O-N 3.35Å
198A48.8Very low50.8Low89 Ų89123.8 Ų123.874%0.73667%0.671SS**  trans-62106.9175.200000107.6A196 K200A196-A198 VanDerWaalsContact C-N 3.25Å; A196-A198 PolarHBondContact O-N 2.97Å; A198-K200 PolarHBondContact O-N 2.69Å; A198-K200 VanDerWaalsContact O-N 3.08Å
199T55.6Low52.2Low116 Ų116127 Ų12771%0.71268%0.679SS**  trans-61.4108.7168.1-0.80000106.8K197 N201K197-T199 PolarHBondContact O-N 3.35Å; T199-N201 PolarHBondContact O-N 3.17Å
200K58.4Low53.6Low137 Ų137125.3 Ų125.360%0.59667%0.671SS**  trans-67.778.1172.9-69-176.2172.6-1680109.1A198 F202 E215A198-K200 PolarHBondContact O-N 2.69Å; A198-K200 VanDerWaalsContact O-N 3.08Å; K200-F202 HydrophobicContact CB-CD2 4.16Å; K200-F202 HydrophobicContact CB-CE2 3.69Å; K200-F202 HydrophobicContact CB-CZ 4.2Å; K200-F202 HydrophobicContact CD-CE2 3.81Å; K200-F202 HydrophobicContact CD-CZ 3.9Å; K200-F202 HydrophobicContact CG-CE2 4.26Å; K200-F202 HydrophobicContact CG-CZ 4.37Å; K200-F202 PolarHBondContact O-N 3.32Å; K200-E215 IonicContact NZ-OE1 3.67Å; K200-E215 PolarHBondContact NZ-OE1 2.8Å; K200-E215 IonicContact NZ-OE2 3.47Å
201N59Low54.8Low105 Ų105118.4 Ų118.456%0.56165%0.645SS**  trans-9087.5170.5-70.4-10000108.1T199 S203T199-N201 PolarHBondContact O-N 3.17Å; N201-S203 PolarHBondContact O-N 2.96Å
202F61.9Low56.2Low50 Ų50115.9 Ų115.922%0.21963%0.633CS.*G310 helixtrans-65.9-11.8178.3-69-77.1000113.5K200 L204 L205 A211 E212K200-F202 HydrophobicContact CB-CD2 4.16Å; K200-F202 HydrophobicContact CB-CE2 3.69Å; K200-F202 HydrophobicContact CB-CZ 4.2Å; K200-F202 HydrophobicContact CD-CE2 3.81Å; K200-F202 HydrophobicContact CD-CZ 3.9Å; K200-F202 HydrophobicContact CG-CE2 4.26Å; K200-F202 HydrophobicContact CG-CZ 4.37Å; K200-F202 PolarHBondContact O-N 3.32Å; F202-L204 PolarHBondContact O-N 2.74Å; F202-L204 VanDerWaalsContact O-N 3.13Å; F202-L205 PolarHBondContact O-N 3.01Å; F202-A211 HydrophobicContact CE1-CB 4.33Å; F202-E212 HydrophobicContact CD2-CG 4.5Å
203S65.1Low57.6Low112 Ų112113.5 Ų113.578%0.78362%0.617SS**G310 helixtrans-69.7-6.7-178.380.10000115.7N201N201-S203 PolarHBondContact O-N 2.96Å
204L62.8Low59.1Low151 Ų151111.9 Ų111.979%0.79161%0.612SS**G310 helixtrans-103.8-7.4-179.5-73.5174.5000113.8F202F202-L204 PolarHBondContact O-N 2.74Å; F202-L204 VanDerWaalsContact O-N 3.13Å
205L60.6Low60.4Low119 Ų119109.2 Ų109.262%0.62359%0.591SS**SBendtrans-108.7124.4177.3-64.5171.5000107.8F202 F207 G208F202-L205 PolarHBondContact O-N 3.01Å; L205-F207 PolarHBondContact O-N 2.79Å; L205-G208 PolarHBondContact O-N 3.3Å
206S63.8Low62.2Low116 Ų116109.7 Ų109.781%0.81158%0.584SS**THydrogen-bonded Turntrans-6910179.392.70000114.1
207F59.2Low63.6Low153 Ų153110.9 Ų110.967%0.67158%0.579SS**THydrogen-bonded Turntrans-115.19.9172.4-61.9-79.1000111.6L205 E209 E210 A211L205-F207 PolarHBondContact O-N 2.79Å; F207-E209 VanDerWaalsContact C-N 3.3Å; F207-E209 PolarHBondContact O-N 3.26Å; F207-E210 PolarHBondContact O-N 3Å; F207-A211 PolarHBondContact O-N 3.39Å
208G64.5Low64.8Low7 Ų7105 Ų1057%0.07256%0.561CS.*Hα-helixtrans-64.4-31.4-176.700000113.8L205 A211 E212L205-G208 PolarHBondContact O-N 3.3Å; G208-A211 PolarHBondContact O-N 2.92Å; G208-E212 WeakPolarHBondContact O-CB 3.49Å; G208-E212 WeakPolarHBondContact O-CG 3.29Å; G208-E212 PolarHBondContact O-N 3.45Å
209E65.6Low66Low154 Ų154105.1 Ų105.172%0.7255%0.549SS*.Hα-helixtrans-67.8-41-179.6-164.9169.5-172.400111.8F207 E212 E213F207-E209 VanDerWaalsContact C-N 3.3Å; F207-E209 PolarHBondContact O-N 3.26Å; E209-E212 PolarHBondContact O-N 3.3Å; E209-E213 WeakPolarHBondContact O-CG 3.18Å; E209-E213 PolarHBondContact O-N 2.87Å
210E68.6Low66.9Low123 Ų123102.4 Ų102.458%0.57553%0.532SS*.Hα-helixtrans-70.4-34.3178.4-164.8172.1-166.800112F207 E214F207-E210 PolarHBondContact O-N 3Å; E210-E214 WeakPolarHBondContact O-CG 3.43Å; E210-E214 PolarHBondContact O-N 2.88Å
211A65.7Low67.3Low34 Ų3499 Ų9928%0.28152%0.522SS..Hα-helixtrans-74.2-32.4175.900000113.1F202 F207 G208 E215F202-A211 HydrophobicContact CE1-CB 4.33Å; F207-A211 PolarHBondContact O-N 3.39Å; G208-A211 PolarHBondContact O-N 2.92Å; A211-E215 PolarHBondContact O-N 2.89Å
212E68.1Low67.8Low101 Ų10197.2 Ų97.247%0.47252%0.516SS..Hα-helixtrans-69.1-41.5171.3-79.5-179.6175.600111F202 G208 E209 E214 E215 E216F202-E212 HydrophobicContact CD2-CG 4.5Å; G208-E212 WeakPolarHBondContact O-CB 3.49Å; G208-E212 WeakPolarHBondContact O-CG 3.29Å; G208-E212 PolarHBondContact O-N 3.45Å; E209-E212 PolarHBondContact O-N 3.3Å; E212-E214 VanDerWaalsContact C-N 3.34Å; E212-E214 PolarHBondContact O-N 3.42Å; E212-E215 PolarHBondContact O-N 3.06Å; E212-E216 WeakPolarHBondContact O-CB 3.07Å; E212-E216 WeakPolarHBondContact O-CG 3.37Å; E212-E216 PolarHBondContact O-N 3.07Å
213E71.1Confident68.2Low109 Ų109101 Ų10151%0.50953%0.534SS..Hα-helixtrans-60.1-42.1172.7-75.3-178.1176.100111.8E209 E216 I217E209-E213 WeakPolarHBondContact O-CG 3.18Å; E209-E213 PolarHBondContact O-N 2.87Å; E213-E216 PolarHBondContact O-N 2.97Å; E213-I217 VanDerWaalsContact O-CD1 3.31Å; E213-I217 WeakPolarHBondContact O-CD1 3.33Å; E213-I217 WeakPolarHBondContact O-CG1 3.19Å; E213-I217 PolarHBondContact O-N 3.49Å
214E72.1Confident68.1Low124 Ų124103 Ų10358%0.57953%0.528SS*.Hα-helixtrans-65.9-42.9176-76.8-174.5172.400113E210 E212 E216 I217 V218E210-E214 WeakPolarHBondContact O-CG 3.43Å; E210-E214 PolarHBondContact O-N 2.88Å; E212-E214 VanDerWaalsContact C-N 3.34Å; E212-E214 PolarHBondContact O-N 3.42Å; E214-E216 VanDerWaalsContact C-N 3.35Å; E214-I217 PolarHBondContact O-N 3.42Å; E214-V218 VanDerWaalsContact O-CG2 3.31Å; E214-V218 WeakPolarHBondContact O-CG2 3.48Å; E214-V218 PolarHBondContact O-N 3.46Å
215E69.7Low67.9Low84 Ų84104.3 Ų104.339%0.39353%0.528SS..Hα-helixtrans-66.1-35.3175.5-78.1-165.8176.400111.6K200 A211 E212 V218 N219K200-E215 IonicContact NZ-OE1 3.67Å; K200-E215 PolarHBondContact NZ-OE1 2.8Å; K200-E215 IonicContact NZ-OE2 3.47Å; A211-E215 PolarHBondContact O-N 2.89Å; E212-E215 PolarHBondContact O-N 3.06Å; E215-V218 PolarHBondContact O-N 3.33Å; E215-N219 WeakPolarHBondContact O-CB 3.47Å; E215-N219 PolarHBondContact O-N 3.05Å; E215-N219 PolarHBondContact O-ND2 2.95Å
216E72.5Confident67.9Low132 Ų132105.6 Ų105.662%0.61753%0.531SS*.Hα-helixtrans-67.6-39.7173.3-76.6-172.5172.200112.5E212 E213 E214 V218 N219 T220E212-E216 WeakPolarHBondContact O-CB 3.07Å; E212-E216 WeakPolarHBondContact O-CG 3.37Å; E212-E216 PolarHBondContact O-N 3.07Å; E213-E216 PolarHBondContact O-N 2.97Å; E214-E216 VanDerWaalsContact C-N 3.35Å; E216-V218 VanDerWaalsContact C-N 3.35Å; E216-N219 PolarHBondContact O-N 3.46Å; E216-T220 WeakPolarHBondContact O-CB 3.45Å; E216-T220 VanDerWaalsContact O-CG2 3.28Å; E216-T220 WeakPolarHBondContact O-CG2 3.42Å; E216-T220 PolarHBondContact O-N 2.87Å; E216-T220 PolarHBondContact O-OG1 3.28Å
217I75.6Confident67.5Low102 Ų102107.9 Ų107.952%0.52353%0.529SS..Hα-helixtrans-63.7-43.2173.8-66.7159.1000110.1E213 E214 T220 V221E213-I217 VanDerWaalsContact O-CD1 3.31Å; E213-I217 WeakPolarHBondContact O-CD1 3.33Å; E213-I217 WeakPolarHBondContact O-CG1 3.19Å; E213-I217 PolarHBondContact O-N 3.49Å; E214-I217 PolarHBondContact O-N 3.42Å; I217-T220 WeakPolarHBondContact CA-OG1 3.27Å; I217-T220 PolarHBondContact O-N 2.97Å; I217-T220 PolarHBondContact O-OG1 3.42Å; I217-V221 HydrophobicContact CG2-CG2 4.48Å; I217-V221 WeakPolarHBondContact O-CB 3.47Å; I217-V221 WeakPolarHBondContact O-CG2 3.48Å; I217-V221 PolarHBondContact O-N 2.84Å
218V72.9Confident67.4Low87 Ų87109.5 Ų109.553%0.52754%0.536SS..Hα-helixtrans-64.2-43.8177.1172.20000111E214 E215 E216 V221 V222E214-V218 VanDerWaalsContact O-CG2 3.31Å; E214-V218 WeakPolarHBondContact O-CG2 3.48Å; E214-V218 PolarHBondContact O-N 3.46Å; E215-V218 PolarHBondContact O-N 3.33Å; E216-V218 VanDerWaalsContact C-N 3.35Å; V218-V221 PolarHBondContact O-N 3.26Å; V218-V222 HydrophobicContact CG1-CG2 4.44Å; V218-V222 VanDerWaalsContact O-CG2 3.31Å; V218-V222 WeakPolarHBondContact O-CG2 3.49Å; V218-V222 PolarHBondContact O-N 2.96Å
219N74.5Confident67.2Low92 Ų92115.2 Ų115.249%0.49257%0.574SS.*Hα-helixtrans-64.9-42.6178.2-73.6-26.7000112.1E215 E216 V221 V222 E223E215-N219 WeakPolarHBondContact O-CB 3.47Å; E215-N219 PolarHBondContact O-N 3.05Å; E215-N219 PolarHBondContact O-ND2 2.95Å; E216-N219 PolarHBondContact O-N 3.46Å; N219-V221 VanDerWaalsContact C-N 3.32Å; N219-V221 PolarHBondContact O-N 2.94Å; N219-V222 PolarHBondContact O-N 2.85Å; N219-E223 WeakPolarHBondContact O-CB 3.37Å; N219-E223 WeakPolarHBondContact O-CG 3.31Å; N219-E223 PolarHBondContact O-N 3.23Å
220T73.1Confident66.9Low59 Ų59115.2 Ų115.236%0.36257%0.572SS.*Hα-helixtrans-67-31.8176.156.20000112.6E216 I217 K224E216-T220 WeakPolarHBondContact O-CB 3.45Å; E216-T220 VanDerWaalsContact O-CG2 3.28Å; E216-T220 WeakPolarHBondContact O-CG2 3.42Å; E216-T220 PolarHBondContact O-N 2.87Å; E216-T220 PolarHBondContact O-OG1 3.28Å; I217-T220 WeakPolarHBondContact CA-OG1 3.27Å; I217-T220 PolarHBondContact O-N 2.97Å; I217-T220 PolarHBondContact O-OG1 3.42Å; T220-K224 WeakPolarHBondContact O-CB 3.27Å; T220-K224 WeakPolarHBondContact O-CD 3.47Å; T220-K224 WeakPolarHBondContact O-CG 3.24Å; T220-K224 PolarHBondContact O-N 2.67Å
221V66.7Low66.7Low64 Ų64112.8 Ų112.839%0.38857%0.569SS.*Hα-helixtrans-68.8-44.4172.1171.60000110.4I217 V218 N219 E223 K224 F225I217-V221 HydrophobicContact CG2-CG2 4.48Å; I217-V221 WeakPolarHBondContact O-CB 3.47Å; I217-V221 WeakPolarHBondContact O-CG2 3.48Å; I217-V221 PolarHBondContact O-N 2.84Å; V218-V221 PolarHBondContact O-N 3.26Å; N219-V221 VanDerWaalsContact C-N 3.32Å; N219-V221 PolarHBondContact O-N 2.94Å; V221-E223 PolarHBondContact O-N 2.95Å; V221-K224 PolarHBondContact O-N 3Å; V221-F225 HydrophobicContact CG1-CD2 3.79Å; V221-F225 HydrophobicContact CG1-CE2 4.04Å; V221-F225 WeakPolarHBondContact O-CD2 3.33Å; V221-F225 PolarHBondContact O-N 3.2Å
222V70.5Confident66.5Low69 Ų69114.1 Ų114.142%0.41858%0.579SS.*Hα-helixtrans-61.1-43.7175.7170.30000111V218 N219 K224 F225 Q226V218-V222 HydrophobicContact CG1-CG2 4.44Å; V218-V222 VanDerWaalsContact O-CG2 3.31Å; V218-V222 WeakPolarHBondContact O-CG2 3.49Å; V218-V222 PolarHBondContact O-N 2.96Å; N219-V222 PolarHBondContact O-N 2.85Å; V222-K224 PolarHBondContact O-N 3.19Å; V222-F225 CarbonylContact O-C 3.53Å; V222-F225 PolarHBondContact O-N 2.92Å; V222-Q226 HydrophobicContact CG1-CG 4.5Å; V222-Q226 VanDerWaalsContact O-CG 3.31Å; V222-Q226 WeakPolarHBondContact O-CG 3.46Å; V222-Q226 PolarHBondContact O-N 3.36Å
223E68.9Low66.2Low128 Ų128112.6 Ų112.660%0.59857%0.572SS**Hα-helixtrans-63.3-39.7175.4-74.4-179.3170.600112.7N219 V221 F225 Q226N219-E223 WeakPolarHBondContact O-CB 3.37Å; N219-E223 WeakPolarHBondContact O-CG 3.31Å; N219-E223 PolarHBondContact O-N 3.23Å; V221-E223 PolarHBondContact O-N 2.95Å; E223-F225 VanDerWaalsContact C-N 3.32Å; E223-F225 PolarHBondContact O-N 3.36Å; E223-Q226 PolarHBondContact O-N 3.36Å
224K63.3Low65.8Low154 Ų154113.6 Ų113.667%0.6758%0.581SS**Hα-helixtrans-66.4-33.7174.7-76170-174.6170.50112.4T220 V221 V222T220-K224 WeakPolarHBondContact O-CB 3.27Å; T220-K224 WeakPolarHBondContact O-CD 3.47Å; T220-K224 WeakPolarHBondContact O-CG 3.24Å; T220-K224 PolarHBondContact O-N 2.67Å; V221-K224 PolarHBondContact O-N 3Å; V222-K224 PolarHBondContact O-N 3.19Å
225F60.2Low65.4Low179 Ų179113.5 Ų113.579%0.78558%0.584SS**Hα-helixtrans-84.3-11.2176.6-86.4-80.7000114.1V221 V222 E223 Q227V221-F225 HydrophobicContact CG1-CD2 3.79Å; V221-F225 HydrophobicContact CG1-CE2 4.04Å; V221-F225 WeakPolarHBondContact O-CD2 3.33Å; V221-F225 PolarHBondContact O-N 3.2Å; V222-F225 CarbonylContact O-C 3.53Å; V222-F225 PolarHBondContact O-N 2.92Å; E223-F225 VanDerWaalsContact C-N 3.32Å; E223-F225 PolarHBondContact O-N 3.36Å; F225-Q227 PolarHBondContact O-N 2.93Å
226Q58.5Low65.2Low146 Ų146114.8 Ų114.868%0.68259%0.593SS**THydrogen-bonded Turntrans-73.8-9.5172.6-81-17923.600113.6V222 E223 K228V222-Q226 HydrophobicContact CG1-CG 4.5Å; V222-Q226 VanDerWaalsContact O-CG 3.31Å; V222-Q226 WeakPolarHBondContact O-CG 3.46Å; V222-Q226 PolarHBondContact O-N 3.36Å; E223-Q226 PolarHBondContact O-N 3.36Å; Q226-K228 PolarHBondContact O-N 2.99Å
227Q55.8Low64.8Low165 Ų165114.7 Ų114.777%0.77161%0.607SS**SBendtrans-74.395.1174.1-72.5-168.7-13.700111.8F225F225-Q227 PolarHBondContact O-N 2.93Å
228K57.1Low64.8Low187 Ų187113.4 Ų113.481%0.81360%0.601SS**  trans55.295.9160.1-61.3179.1-178179.60114.4Q226 K230Q226-K228 PolarHBondContact O-N 2.99Å; K228-K230 PolarHBondContact O-N 3.41Å
229S60Low64.8Low127 Ų127115.4 Ų115.489%0.88862%0.616SS**  trans-43.8107.5160.2-35.10000109S231S229-S231 PolarHBondContact O-N 2.98Å
230K60.9Low64.8Low153 Ų153121.9 Ų121.967%0.66563%0.634SS**  trans-67.8108.6176.1-66.2-178.7-178.6-1800107.1K228 L235K228-K230 PolarHBondContact O-N 3.41Å; K230-L235 HydrophobicContact CB-CG 4.42Å; K230-L235 HydrophobicContact CD-CD2 4.26Å
231S63.2Low64.3Low73 Ų73123 Ų12351%0.5164%0.637SS.*  trans-56.9147.5172167.50000109.1S229 H233 D234S229-S231 PolarHBondContact O-N 2.98Å; S231-H233 PolarHBondContact O-N 3.13Å; S231-H233 WeakPolarHBondContact OG-CB 3.39Å; S231-H233 PolarHBondContact OG-N 2.75Å; S231-D234 WeakPolarHBondContact O-CB 3.46Å; S231-D234 PolarHBondContact O-N 3.41Å
232A62.3Low64.2Low61 Ų61124.5 Ų124.550%0.50465%0.65SS.*Hα-helixtrans-52.7-23.8173.700000112.4D234 L235 L236A232-D234 VanDerWaalsContact C-N 3.32Å; A232-D234 PolarHBondContact O-N 3.49Å; A232-L235 PolarHBondContact O-N 3.37Å; A232-L236 PolarHBondContact O-N 3.28Å
233H60.7Low63.9Low70 Ų70125.6 Ų125.632%0.32466%0.661SS.*Hα-helixtrans-64-29.3173.5-169.257.5000114.5S231 L241 S243S231-H233 PolarHBondContact O-N 3.13Å; S231-H233 WeakPolarHBondContact OG-CB 3.39Å; S231-H233 PolarHBondContact OG-N 2.75Å; H233-L241 PolarHBondContact CE1-O 3.49Å; H233-L241 VanDerWaalsContact CE1-O 3.25Å; H233-L241 WeakPolarHBondContact ND1-CB 3.33Å; H233-S243 VanDerWaalsContact NE2-CA 3.27Å; H233-S243 WeakPolarHBondContact NE2-CA 3.41Å; H233-S243 WeakPolarHBondContact NE2-CB 3.24Å
234D63.4Low64Low129 Ų129125.6 Ų125.669%0.6966%0.663SS**Hα-helixtrans-83.7-18.7177.6-105.2-4.1000112.6S231 A232S231-D234 WeakPolarHBondContact O-CB 3.46Å; S231-D234 PolarHBondContact O-N 3.41Å; A232-D234 VanDerWaalsContact C-N 3.32Å; A232-D234 PolarHBondContact O-N 3.49Å
235L63.9Low64Low123 Ų123123.1 Ų123.164%0.64466%0.663SS**Hα-helixtrans-100.6-24.4-176.6-63.6176.6000112.8K230 A232K230-L235 HydrophobicContact CB-CG 4.42Å; K230-L235 HydrophobicContact CD-CD2 4.26Å; A232-L235 PolarHBondContact O-N 3.37Å
236L65.9Low64.5Low110 Ų110120.8 Ų120.858%0.57666%0.663SS**  trans-123.3113.8-177.2-77.8144.5000110.2A232 D238A232-L236 PolarHBondContact O-N 3.28Å; L236-D238 PolarHBondContact O-N 2.93Å
237S63.1Low64.9Low131 Ų131122.3 Ų122.392%0.91667%0.672SS**  trans-76.156172.846.60000112.1
238D75.2Confident65.5Low75 Ų75120.1 Ų120.140%0.40167%0.665SS.*  trans-88.3120.8179.2-165.3-22.4000111.4L236 R240 L241L236-D238 PolarHBondContact O-N 2.93Å; D238-R240 PolarHBondContact O-N 3.49Å; D238-R240 PolarHBondContact OD1-N 3.27Å; D238-L241 HydrophobicContact CB-CD1 4.14Å; D238-L241 HydrophobicContact CB-CG 4.48Å; D238-L241 PolarHBondContact O-N 3.11Å; D238-L241 VanDerWaalsContact O-N 3.17Å
239P73.8Confident66.5Low129 Ų129113.6 Ų113.684%0.83864%0.643SS**THydrogen-bonded Turntrans-60.1-13.7179.2-22.231.6000115.8
240R73.6Confident67.5Low228 Ų228114.1 Ų114.186%0.8664%0.636SS**THydrogen-bonded Turntrans-82.9-12.6178.3-66.9-179.3178.3166.31.1113.9D238D238-R240 PolarHBondContact O-N 3.49Å; D238-R240 PolarHBondContact OD1-N 3.27Å
241L64.3Low68.4Low83 Ų83114.4 Ų114.444%0.43564%0.639SS.*SBendtrans-97.3113.5-179.3-65.9169000109.3H233 D238H233-L241 PolarHBondContact CE1-O 3.49Å; H233-L241 VanDerWaalsContact CE1-O 3.25Å; H233-L241 WeakPolarHBondContact ND1-CB 3.33Å; D238-L241 HydrophobicContact CB-CD1 4.14Å; D238-L241 HydrophobicContact CB-CG 4.48Å; D238-L241 PolarHBondContact O-N 3.11Å; D238-L241 VanDerWaalsContact O-N 3.17Å
242S64.1Low69.3Low94 Ų94115.2 Ų115.266%0.65764%0.638SS**  trans-81.1128.9174.957.80000111I244S242-I244 PolarHBondContact O-N 2.91Å
243S63.4Low70.2Confident92 Ų92114.1 Ų114.164%0.64363%0.629SS**  trans-74.3-1.4175.357.40000114.6H233H233-S243 VanDerWaalsContact NE2-CA 3.27Å; H233-S243 WeakPolarHBondContact NE2-CA 3.41Å; H233-S243 WeakPolarHBondContact NE2-CB 3.24Å
244I70.7Confident71.4Confident128 Ų128115.7 Ų115.766%0.65664%0.637SS**SBendtrans-88.9119.7-172.6-56171.6000108.6S242 V246S242-I244 PolarHBondContact O-N 2.91Å; I244-V246 PolarHBondContact O-N 2.9Å
245P64Low72.5Confident103 Ų103112 Ų11267%0.66962%0.623SS**PPolyproline II helixtrans-62.7128173.725.7-31.7000109.5M247P245-M247 PolarHBondContact O-N 3.36Å; P245-M247 VanDerWaalsContact O-N 3.17Å
246V70Confident73.4Confident129 Ų129110.7 Ų110.778%0.78262%0.621SS**PPolyproline II helixtrans-62.4116.8172.1176.70000107.7I244 I248I244-V246 PolarHBondContact O-N 2.9Å; V246-I248 PolarHBondContact O-N 2.99Å; V246-I248 VanDerWaalsContact O-N 3.07Å
247M68.4Low74.4Confident178 Ų178110.3 Ų110.388%0.87762%0.619SS**  trans-70.7101.3173-63.3-76.7-84.100107.3P245P245-M247 PolarHBondContact O-N 3.36Å; P245-M247 VanDerWaalsContact O-N 3.17Å
248I66.8Low75.6Confident120 Ų120111.1 Ų111.162%0.61560%0.602SS**  trans-67.5128.8173.7-59.6170.1000106.9V246 D252 A253V246-I248 PolarHBondContact O-N 2.99Å; V246-I248 VanDerWaalsContact O-N 3.07Å; I248-D252 HydrophobicContact CG2-CB 3.64Å; I248-A253 HydrophobicContact CG2-CB 4.42Å
249S78.3Confident76.2Confident50 Ų50110.2 Ų110.235%0.3561%0.605SS.*  trans-67.6150176.372.30000110.3E251 D252 A253S249-E251 PolarHBondContact O-N 3.34Å; S249-E251 VanDerWaalsContact O-N 3.17Å; S249-D252 PolarHBondContact O-N 2.98Å; S249-D252 PolarHBondContact OG-N 3.42Å; S249-D252 PolarHBondContact OG-OD2 3.15Å; S249-A253 PolarHBondContact O-N 3.47Å; S249-A253 VanDerWaalsContact O-N 3.1Å
250D81.5Confident76.9Confident138 Ų138109.9 Ų109.974%0.73859%0.59SS**Hα-helixtrans-57.8-31.1178.2-68.5-30.7000111.5A253 E254D250-A253 PolarHBondContact O-N 2.95Å; D250-E254 WeakPolarHBondContact O-CG 3.23Å; D250-E254 PolarHBondContact O-N 2.86Å
251E80.9Confident77.7Confident159 Ų159101.2 Ų101.274%0.74356%0.564SS**Hα-helixtrans-64.4-42.6175.1-62.7-175.4172.600112.5S249 E254 A255S249-E251 PolarHBondContact O-N 3.34Å; S249-E251 VanDerWaalsContact O-N 3.17Å; E251-E254 PolarHBondContact O-N 3.03Å; E251-A255 WeakPolarHBondContact O-CB 3.48Å; E251-A255 PolarHBondContact O-N 2.91Å
252D81.4Confident78.9Confident89 Ų89103.5 Ų103.548%0.47657%0.573SS.*Hα-helixtrans-67.4-39.7177-66-43.7000111.3I248 S249 A255 V256I248-D252 HydrophobicContact CG2-CB 3.64Å; S249-D252 PolarHBondContact O-N 2.98Å; S249-D252 PolarHBondContact OG-N 3.42Å; S249-D252 PolarHBondContact OG-OD2 3.15Å; D252-A255 PolarHBondContact O-N 2.74Å; D252-V256 VanDerWaalsContact O-CG2 3.29Å; D252-V256 WeakPolarHBondContact O-CG2 3.17Å; D252-V256 PolarHBondContact O-N 2.74Å
253A81.5Confident80.1Confident39 Ų39103.8 Ų103.832%0.32257%0.567SS.*Hα-helixtrans-63.3-42.1176.700000111.5I248 S249 D250 N257I248-A253 HydrophobicContact CG2-CB 4.42Å; S249-A253 PolarHBondContact O-N 3.47Å; S249-A253 VanDerWaalsContact O-N 3.1Å; D250-A253 PolarHBondContact O-N 2.95Å; A253-N257 WeakPolarHBondContact O-CB 3.45Å; A253-N257 VanDerWaalsContact O-CG 3.24Å; A253-N257 PolarHBondContact O-N 3.07Å; A253-N257 PolarHBondContact O-ND2 3.28Å; A253-N257 VanDerWaalsContact O-ND2 3.14Å
254E85.4Confident81.4Confident103 Ų103104 Ų10448%0.48156%0.557SS.*Hα-helixtrans-65.5-41.6173.9-75.1-171-167.900112.6D250 E251 V256 N257 R258D250-E254 WeakPolarHBondContact O-CG 3.23Å; D250-E254 PolarHBondContact O-N 2.86Å; E251-E254 PolarHBondContact O-N 3.03Å; E254-V256 VanDerWaalsContact C-N 3.35Å; E254-V256 PolarHBondContact O-N 2.77Å; E254-N257 PolarHBondContact O-N 2.77Å; E254-R258 WeakPolarHBondContact O-CG 3.41Å; E254-R258 PolarHBondContact O-N 2.69Å; E254-R258 IonicContact OE2-CZ 3.49Å; E254-R258 IonicContact OE2-NH2 3.65Å; E254-R258 PolarHBondContact OE2-NH2 2.86Å
255A85.5Confident82.4Confident50 Ų50104.5 Ų104.541%0.41356%0.555SS.*Hα-helixtrans-61-43.9177.100000111.7E251 D252 R258 A259E251-A255 WeakPolarHBondContact O-CB 3.48Å; E251-A255 PolarHBondContact O-N 2.91Å; D252-A255 PolarHBondContact O-N 2.74Å; A255-R258 PolarHBondContact O-N 2.68Å; A255-A259 WeakPolarHBondContact O-CB 3.22Å; A255-A259 PolarHBondContact O-N 3.31Å
256V84.4Confident83.6Confident96 Ų96103.9 Ų103.958%0.58254%0.543SS*.Hα-helixtrans-64.1-41.8175.6172.70000111.3D252 E254 A259 K260D252-V256 VanDerWaalsContact O-CG2 3.29Å; D252-V256 WeakPolarHBondContact O-CG2 3.17Å; D252-V256 PolarHBondContact O-N 2.74Å; E254-V256 VanDerWaalsContact C-N 3.35Å; E254-V256 PolarHBondContact O-N 2.77Å; V256-A259 PolarHBondContact O-N 2.95Å; V256-K260 VanDerWaalsContact O-CB 3.32Å; V256-K260 WeakPolarHBondContact O-CB 3.42Å; V256-K260 PolarHBondContact O-N 3.43Å
257N86.5Confident84.4Confident102 Ų102101.6 Ų101.655%0.54553%0.526SS..Hα-helixtrans-65.4-39.5177.7-75-30.1000112.5A253 E254 K260 S261A253-N257 WeakPolarHBondContact O-CB 3.45Å; A253-N257 VanDerWaalsContact O-CG 3.24Å; A253-N257 PolarHBondContact O-N 3.07Å; A253-N257 PolarHBondContact O-ND2 3.28Å; A253-N257 VanDerWaalsContact O-ND2 3.14Å; E254-N257 PolarHBondContact O-N 2.77Å; N257-K260 PolarHBondContact O-N 3.01Å; N257-S261 WeakPolarHBondContact O-CB 3.21Å; N257-S261 PolarHBondContact O-N 2.96Å
258R89Confident85.5Confident149 Ų14998.2 Ų98.256%0.56251%0.508SS*.Hα-helixtrans-63.1-49.6174.3-70.1175.2-158.2157.17.1110.7E254 A255 K260 S261 E262E254-R258 WeakPolarHBondContact O-CG 3.41Å; E254-R258 PolarHBondContact O-N 2.69Å; E254-R258 IonicContact OE2-CZ 3.49Å; E254-R258 IonicContact OE2-NH2 3.65Å; E254-R258 PolarHBondContact OE2-NH2 2.86Å; A255-R258 PolarHBondContact O-N 2.68Å; R258-K260 VanDerWaalsContact C-N 3.32Å; R258-K260 PolarHBondContact O-N 2.79Å; R258-S261 PolarHBondContact O-N 3.39Å; R258-S261 VanDerWaalsContact O-N 3.13Å; R258-S261 PolarHBondContact O-OG 3.45Å; R258-E262 WeakPolarHBondContact O-CG 3.39Å; R258-E262 PolarHBondContact O-N 3.05Å
259A87Confident86.6Confident55 Ų5597.2 Ų97.246%0.45550%0.501SS..Hα-helixtrans-59.7-40.3177.200000112.4A255 V256 E262 L263A255-A259 WeakPolarHBondContact O-CB 3.22Å; A255-A259 PolarHBondContact O-N 3.31Å; V256-A259 PolarHBondContact O-N 2.95Å; A259-E262 PolarHBondContact O-N 3.27Å; A259-L263 WeakPolarHBondContact O-CB 3.42Å; A259-L263 PolarHBondContact O-N 3.27Å
260K88.6Confident87Confident122 Ų122101.7 Ų101.753%0.5351%0.51SS..Hα-helixtrans-63.7-42.9175.2-170.7179.9177.4-173.90111.8V256 N257 R258 E262 L263 E264V256-K260 VanDerWaalsContact O-CB 3.32Å; V256-K260 WeakPolarHBondContact O-CB 3.42Å; V256-K260 PolarHBondContact O-N 3.43Å; N257-K260 PolarHBondContact O-N 3.01Å; R258-K260 VanDerWaalsContact C-N 3.32Å; R258-K260 PolarHBondContact O-N 2.79Å; K260-E262 VanDerWaalsContact C-N 3.35Å; K260-E262 PolarHBondContact O-N 2.9Å; K260-L263 PolarHBondContact O-N 3Å; K260-E264 WeakPolarHBondContact CE-OE1 3.47Å; K260-E264 WeakPolarHBondContact O-CG 3.31Å; K260-E264 PolarHBondContact O-N 3.14Å
261S89.9Confident87.3Confident46 Ų46100 Ų10032%0.32250%0.497SS..Hα-helixtrans-66.9-34178.478.60000113.1N257 R258 K265N257-S261 WeakPolarHBondContact O-CB 3.21Å; N257-S261 PolarHBondContact O-N 2.96Å; R258-S261 PolarHBondContact O-N 3.39Å; R258-S261 VanDerWaalsContact O-N 3.13Å; R258-S261 PolarHBondContact O-OG 3.45Å; S261-K265 VanDerWaalsContact O-CG 3.29Å; S261-K265 WeakPolarHBondContact O-CG 3.37Å; S261-K265 PolarHBondContact O-N 3.17Å; S261-K265 VanDerWaalsContact O-N 3.11Å
262E90.8Very high87.8Confident132 Ų132101.2 Ų101.262%0.61750%0.495SS*.Hα-helixtrans-69.5-43.4174.3-72.8176.1177.300111.1R258 A259 K260 E264 K265 E266R258-E262 WeakPolarHBondContact O-CG 3.39Å; R258-E262 PolarHBondContact O-N 3.05Å; A259-E262 PolarHBondContact O-N 3.27Å; K260-E262 VanDerWaalsContact C-N 3.35Å; K260-E262 PolarHBondContact O-N 2.9Å; E262-E264 PolarHBondContact O-N 2.96Å; E262-K265 PolarHBondContact O-N 3.05Å; E262-E266 PolarHBondContact O-N 3.48Å
263L88.3Confident88.1Confident99 Ų99105.1 Ų105.152%0.51850%0.503SS..Hα-helixtrans-62.2-42.7175.2-175.766.1000111.9A259 K260 K265 E266 I267A259-L263 WeakPolarHBondContact O-CB 3.42Å; A259-L263 PolarHBondContact O-N 3.27Å; K260-L263 PolarHBondContact O-N 3Å; L263-K265 PolarHBondContact O-N 3.38Å; L263-E266 PolarHBondContact O-N 3.47Å; L263-I267 HydrophobicContact CD1-CD1 4.44Å; L263-I267 HydrophobicContact CG-CD1 3.99Å; L263-I267 VanDerWaalsContact O-CG1 3.24Å; L263-I267 WeakPolarHBondContact O-CG1 3.26Å; L263-I267 PolarHBondContact O-N 3.48Å
264E89.7Confident88.3Confident96 Ų96111.9 Ų111.945%0.44952%0.52SS..Hα-helixtrans-62.6-40.3175.9-77.4175.2-171.900112K260 E262 I267 Q268K260-E264 WeakPolarHBondContact CE-OE1 3.47Å; K260-E264 WeakPolarHBondContact O-CG 3.31Å; K260-E264 PolarHBondContact O-N 3.14Å; E262-E264 PolarHBondContact O-N 2.96Å; E264-I267 PolarHBondContact O-N 3.25Å; E264-Q268 WeakPolarHBondContact O-CG 3.38Å; E264-Q268 PolarHBondContact O-N 3.06Å
265K92.4Very high88.5Confident140 Ų140112.1 Ų112.161%0.60953%0.525SS*.Hα-helixtrans-63.8-42.8173.8-74.5171-176.3172.60111.9S261 E262 L263 Q268 E269S261-K265 VanDerWaalsContact O-CG 3.29Å; S261-K265 WeakPolarHBondContact O-CG 3.37Å; S261-K265 PolarHBondContact O-N 3.17Å; S261-K265 VanDerWaalsContact O-N 3.11Å; E262-K265 PolarHBondContact O-N 3.05Å; L263-K265 PolarHBondContact O-N 3.38Å; K265-Q268 PolarHBondContact O-N 3.32Å; K265-E269 PolarHBondContact O-N 3.43Å
266E89Confident88.7Confident90 Ų90112.2 Ų112.242%0.42153%0.526SS..Hα-helixtrans-64.1-41.2177-168-175166.600111.6E262 L263 E269 R270E262-E266 PolarHBondContact O-N 3.48Å; L263-E266 PolarHBondContact O-N 3.47Å; E266-E269 PolarHBondContact O-N 2.84Å; E266-R270 WeakPolarHBondContact O-CB 3.29Å; E266-R270 WeakPolarHBondContact O-CG 3.37Å; E266-R270 PolarHBondContact O-N 3.42Å; E266-R270 IonicContact OE1-CZ 2.73Å; E266-R270 VanDerWaalsContact OE1-CZ 3.26Å; E266-R270 IonicContact OE1-NE 3.53Å; E266-R270 PolarHBondContact OE1-NE 3.45Å; E266-R270 IonicContact OE1-NH2 3.65Å; E266-R270 PolarHBondContact OE1-NH2 3.37Å
267I87.6Confident88.9Confident81 Ų81109.9 Ų109.942%0.41552%0.516SS..Hα-helixtrans-62.2-45.1175.6-69.3165.3000110.6L263 E264 R270 Q271L263-I267 HydrophobicContact CD1-CD1 4.44Å; L263-I267 HydrophobicContact CG-CD1 3.99Å; L263-I267 VanDerWaalsContact O-CG1 3.24Å; L263-I267 WeakPolarHBondContact O-CG1 3.26Å; L263-I267 PolarHBondContact O-N 3.48Å; E264-I267 PolarHBondContact O-N 3.25Å; I267-R270 PolarHBondContact O-N 2.95Å; I267-Q271 WeakPolarHBondContact O-CG 3.35Å; I267-Q271 PolarHBondContact O-N 3.03Å
268Q90.5Very high88.9Confident106 Ų106109.4 Ų109.450%0.49551%0.511SS..Hα-helixtrans-63.9-39.7177.1-74.9-178.111.900112.4E264 K265 Q271 R272E264-Q268 WeakPolarHBondContact O-CG 3.38Å; E264-Q268 PolarHBondContact O-N 3.06Å; K265-Q268 PolarHBondContact O-N 3.32Å; Q268-Q271 PolarHBondContact O-N 3.15Å; Q268-R272 WeakPolarHBondContact O-CG 3.22Å; Q268-R272 PolarHBondContact O-N 3.08Å
269E90.1Very high88.8Confident100 Ų100107.4 Ų107.447%0.46751%0.511SS..Hα-helixtrans-67.5-40.7176.8-166.7178.7164.900111.7K265 E266 Q271 R272 R273K265-E269 PolarHBondContact O-N 3.43Å; E266-E269 PolarHBondContact O-N 2.84Å; E269-Q271 VanDerWaalsContact C-N 3.33Å; E269-Q271 PolarHBondContact O-N 3.28Å; E269-R272 PolarHBondContact O-N 3.43Å; E269-R273 WeakPolarHBondContact O-CG 3.46Å; E269-R273 PolarHBondContact O-N 3.25Å; E269-R273 IonicContact OE1-CZ 3.95Å; E269-R273 IonicContact OE1-NE 2.75Å; E269-R273 IonicContact OE1-NH2 2.76Å; E269-R273 PolarHBondContact OE1-NH2 3.13Å
270R86.7Confident88.7Confident144 Ų144111.5 Ų111.554%0.54352%0.52SS..Hα-helixtrans-61.5-39.9172.9-74.5179.4-176.2-1602.5111.9E266 I267 R273 R274E266-R270 WeakPolarHBondContact O-CB 3.29Å; E266-R270 WeakPolarHBondContact O-CG 3.37Å; E266-R270 PolarHBondContact O-N 3.42Å; E266-R270 IonicContact OE1-CZ 2.73Å; E266-R270 VanDerWaalsContact OE1-CZ 3.26Å; E266-R270 IonicContact OE1-NE 3.53Å; E266-R270 PolarHBondContact OE1-NE 3.45Å; E266-R270 IonicContact OE1-NH2 3.65Å; E266-R270 PolarHBondContact OE1-NH2 3.37Å; I267-R270 PolarHBondContact O-N 2.95Å; R270-R273 PolarHBondContact O-N 3.12Å; R270-R274 WeakPolarHBondContact O-CG 3.46Å; R270-R274 PolarHBondContact O-N 3.14Å; R270-R274 VanDerWaalsContact O-N 3.07Å
271Q88.4Confident88.6Confident102 Ų102110.9 Ų110.948%0.47752%0.52SS..Hα-helixtrans-62.8-49.5174.3-76.4176.5-16.400111.3I267 Q268 E269 R273 R274 D275I267-Q271 WeakPolarHBondContact O-CG 3.35Å; I267-Q271 PolarHBondContact O-N 3.03Å; Q268-Q271 PolarHBondContact O-N 3.15Å; E269-Q271 VanDerWaalsContact C-N 3.33Å; E269-Q271 PolarHBondContact O-N 3.28Å; Q271-R273 VanDerWaalsContact C-N 3.3Å; Q271-R273 PolarHBondContact O-N 3.23Å; Q271-R274 WeakPolarHBondContact O-CB 3.42Å; Q271-R274 PolarHBondContact O-N 3.18Å; Q271-D275 VanDerWaalsContact O-CG 3.28Å; Q271-D275 PolarHBondContact O-N 3.42Å
272R90.5Very high88.5Confident184 Ų184112.1 Ų112.169%0.69452%0.522SS*.Hα-helixtrans-58.4-38.7176.8-73.5-178.8179.7175.61.8113.4Q268 E269 A276Q268-R272 WeakPolarHBondContact O-CG 3.22Å; Q268-R272 PolarHBondContact O-N 3.08Å; E269-R272 PolarHBondContact O-N 3.43Å; R272-A276 VanDerWaalsContact O-CB 3.3Å; R272-A276 WeakPolarHBondContact O-CB 3.38Å; R272-A276 PolarHBondContact O-N 2.93Å
273R88Confident88.5Confident171 Ų171110.7 Ų110.765%0.64552%0.516SS*.Hα-helixtrans-66-39.6175.4-72.4-177.3-171.3-176.84.7112.1E269 R270 Q271 A277E269-R273 WeakPolarHBondContact O-CG 3.46Å; E269-R273 PolarHBondContact O-N 3.25Å; E269-R273 IonicContact OE1-CZ 3.95Å; E269-R273 IonicContact OE1-NE 2.75Å; E269-R273 IonicContact OE1-NH2 2.76Å; E269-R273 PolarHBondContact OE1-NH2 3.13Å; R270-R273 PolarHBondContact O-N 3.12Å; Q271-R273 VanDerWaalsContact C-N 3.3Å; Q271-R273 PolarHBondContact O-N 3.23Å; R273-A277 WeakPolarHBondContact O-CB 3.36Å; R273-A277 PolarHBondContact O-N 3.11Å
274R85.7Confident88.5Confident181 Ų181108.7 Ų108.768%0.68351%0.513SS*.Hα-helixtrans-64.8-46.5174.4-73.5177.1-176.1173.80.7111.3R270 Q271 A276 A277 H278R270-R274 WeakPolarHBondContact O-CG 3.46Å; R270-R274 PolarHBondContact O-N 3.14Å; R270-R274 VanDerWaalsContact O-N 3.07Å; Q271-R274 WeakPolarHBondContact O-CB 3.42Å; Q271-R274 PolarHBondContact O-N 3.18Å; R274-A276 VanDerWaalsContact C-N 3.35Å; R274-A276 PolarHBondContact O-N 2.97Å; R274-A277 PolarHBondContact O-N 2.89Å; R274-H278 PolarHBondContact O-N 3.45Å
275D89.1Confident88.6Confident108 Ų108108.4 Ų108.458%0.57851%0.511SS*.Hα-helixtrans-63.1-41.8179.8-62.6-18.5000111.3Q271 H278 L279Q271-D275 VanDerWaalsContact O-CG 3.28Å; Q271-D275 PolarHBondContact O-N 3.42Å; D275-H278 PolarHBondContact O-N 2.98Å; D275-L279 WeakPolarHBondContact O-CB 3.26Å; D275-L279 PolarHBondContact O-N 2.74Å
276A90.2Very high88.5Confident53 Ų53104.5 Ų104.544%0.43851%0.505SS..Hα-helixtrans-65.5-39.1176.200000112.8R272 R274 L279 Q280R272-A276 VanDerWaalsContact O-CB 3.3Å; R272-A276 WeakPolarHBondContact O-CB 3.38Å; R272-A276 PolarHBondContact O-N 2.93Å; R274-A276 VanDerWaalsContact C-N 3.35Å; R274-A276 PolarHBondContact O-N 2.97Å; A276-L279 PolarHBondContact O-N 3.44Å; A276-Q280 WeakPolarHBondContact O-CG 3.32Å; A276-Q280 PolarHBondContact O-N 2.66Å; A276-Q280 VanDerWaalsContact O-N 3.13Å
277A88Confident88.7Confident46 Ų46107 Ų10738%0.3851%0.514SS..Hα-helixtrans-65.7-42.917500000111.4R273 R274 L279 Q280 E281R273-A277 WeakPolarHBondContact O-CB 3.36Å; R273-A277 PolarHBondContact O-N 3.11Å; R274-A277 PolarHBondContact O-N 2.89Å; A277-L279 VanDerWaalsContact C-N 3.33Å; A277-L279 PolarHBondContact O-N 3.23Å; A277-Q280 PolarHBondContact O-N 2.94Å; A277-E281 PolarHBondContact O-N 3.42Å
278H86.8Confident88.8Confident93 Ų93109.7 Ų109.743%0.43152%0.519SS..Hα-helixtrans-61.8-41.7176.5-154.2-70.2000111.6R274 D275 Q280 E281 D282R274-H278 PolarHBondContact O-N 3.45Å; D275-H278 PolarHBondContact O-N 2.98Å; H278-Q280 PolarHBondContact O-N 3.1Å; H278-E281 PolarHBondContact O-N 3.17Å; H278-D282 IonicContact CE1-OD1 2.83Å; H278-D282 IonicContact CE1-OD2 3.68Å; H278-D282 PolarHBondContact CE1-OD2 3.41Å; H278-D282 IonicContact ND1-OD1 2.74Å; H278-D282 IonicContact ND1-OD2 3.24Å; H278-D282 PolarHBondContact ND1-OD2 2.94Å; H278-D282 WeakPolarHBondContact O-CB 3.43Å; H278-D282 PolarHBondContact O-N 3.49Å
279L87.6Confident88.8Confident107 Ų107107.5 Ų107.556%0.5651%0.51SS*.Hα-helixtrans-63.9-40178-141.6117.6000112.2D275 A276 A277 D282 E283D275-L279 WeakPolarHBondContact O-CB 3.26Å; D275-L279 PolarHBondContact O-N 2.74Å; A276-L279 PolarHBondContact O-N 3.44Å; A277-L279 VanDerWaalsContact C-N 3.33Å; A277-L279 PolarHBondContact O-N 3.23Å; L279-D282 PolarHBondContact O-N 3Å; L279-E283 WeakPolarHBondContact O-CG 3.42Å; L279-E283 PolarHBondContact O-N 3.27Å
280Q85.8Confident88.9Confident140 Ų140107 Ų10765%0.65451%0.508SS*.Hα-helixtrans-66.7-40.8175.4-74-178.22.300112.3A276 A277 H278 A284A276-Q280 WeakPolarHBondContact O-CG 3.32Å; A276-Q280 PolarHBondContact O-N 2.66Å; A276-Q280 VanDerWaalsContact O-N 3.13Å; A277-Q280 PolarHBondContact O-N 2.94Å; H278-Q280 PolarHBondContact O-N 3.1Å; Q280-A284 WeakPolarHBondContact O-CB 3.48Å; Q280-A284 PolarHBondContact O-N 2.86Å
281E85.5Confident89.2Confident110 Ų110105 Ų10551%0.51451%0.506SS..Hα-helixtrans-63.3-41.9174.4-75.2-172.6-176.400111.7A277 H278 A284 K285A277-E281 PolarHBondContact O-N 3.42Å; H278-E281 PolarHBondContact O-N 3.17Å; E281-A284 PolarHBondContact O-N 3.15Å; E281-K285 WeakPolarHBondContact O-CB 3.15Å; E281-K285 VanDerWaalsContact O-CG 3.24Å; E281-K285 WeakPolarHBondContact O-CG 3.14Å; E281-K285 PolarHBondContact O-N 3.48Å; E281-K285 IonicContact OE2-NZ 2.89Å
282D87.7Confident89.3Confident71 Ų71104 Ų10438%0.3850%0.503SS..Hα-helixtrans-66.1-41.2178.5-68.5-23.3000111.7H278 L279 K285 A286H278-D282 IonicContact CE1-OD1 2.83Å; H278-D282 IonicContact CE1-OD2 3.68Å; H278-D282 PolarHBondContact CE1-OD2 3.41Å; H278-D282 IonicContact ND1-OD1 2.74Å; H278-D282 IonicContact ND1-OD2 3.24Å; H278-D282 PolarHBondContact ND1-OD2 2.94Å; H278-D282 WeakPolarHBondContact O-CB 3.43Å; H278-D282 PolarHBondContact O-N 3.49Å; L279-D282 PolarHBondContact O-N 3Å; D282-K285 PolarHBondContact O-N 3.39Å; D282-A286 WeakPolarHBondContact O-CB 3.41Å; D282-A286 PolarHBondContact O-N 2.86Å
283E90Very high89.4Confident102 Ų102102.5 Ų102.548%0.47750%0.498SS..Hα-helixtrans-63.1-40.6172.7-76.5-176.2-172.800112.5L279 A286 K287L279-E283 WeakPolarHBondContact O-CG 3.42Å; L279-E283 PolarHBondContact O-N 3.27Å; E283-A286 PolarHBondContact O-N 3.12Å; E283-K287 WeakPolarHBondContact O-CG 3.42Å; E283-K287 PolarHBondContact O-N 3.38Å
284A89.9Confident89.6Confident57 Ų5799.3 Ų99.347%0.47149%0.49SS..Hα-helixtrans-66.4-42.7176.900000111.7Q280 E281 K287 R288Q280-A284 WeakPolarHBondContact O-CB 3.48Å; Q280-A284 PolarHBondContact O-N 2.86Å; E281-A284 PolarHBondContact O-N 3.15Å; A284-K287 PolarHBondContact O-N 3.05Å; A284-R288 WeakPolarHBondContact O-CB 3.42Å; A284-R288 PolarHBondContact O-N 3.3Å
285K90.1Very high89.9Confident91 Ų9195.6 Ų95.640%0.39648%0.48SS..Hα-helixtrans-61.4-44.7173.7-72.5168.3-170.7164.50111E281 D282 R288 I289E281-K285 WeakPolarHBondContact O-CB 3.15Å; E281-K285 VanDerWaalsContact O-CG 3.24Å; E281-K285 WeakPolarHBondContact O-CG 3.14Å; E281-K285 PolarHBondContact O-N 3.48Å; E281-K285 IonicContact OE2-NZ 2.89Å; D282-K285 PolarHBondContact O-N 3.39Å; K285-R288 PolarHBondContact O-N 3.17Å; K285-I289 VanDerWaalsContact O-CG1 3.29Å; K285-I289 WeakPolarHBondContact O-CG1 3.48Å; K285-I289 PolarHBondContact O-N 2.82Å
286A91Very high90Very high58 Ų5892.6 Ų92.648%0.47947%0.47SS..Hα-helixtrans-61.6-45.3177.900000112.4D282 E283 R288 I289 E290D282-A286 WeakPolarHBondContact O-CB 3.41Å; D282-A286 PolarHBondContact O-N 2.86Å; E283-A286 PolarHBondContact O-N 3.12Å; A286-R288 VanDerWaalsContact C-N 3.33Å; A286-R288 PolarHBondContact O-N 2.71Å; A286-I289 PolarHBondContact O-N 2.75Å; A286-E290 PolarHBondContact O-N 2.86Å
287K93Very high90.1Very high141 Ų14195 Ų9561%0.61347%0.473SS*.Hα-helixtrans-61.2-40.7174.4-73.2171.7-177.1166.90111.9E283 A284 E290 M291E283-K287 WeakPolarHBondContact O-CG 3.42Å; E283-K287 PolarHBondContact O-N 3.38Å; A284-K287 PolarHBondContact O-N 3.05Å; K287-E290 PolarHBondContact O-N 3.24Å; K287-M291 WeakPolarHBondContact O-CG 3.26Å; K287-M291 PolarHBondContact O-N 2.98Å
288R90.3Very high90.3Very high138 Ų13898.4 Ų98.452%0.52148%0.48SS..Hα-helixtrans-66.2-41.5177.5-176.158.8175.9164.54112.2A284 K285 A286 E290 M291 L292A284-R288 WeakPolarHBondContact O-CB 3.42Å; A284-R288 PolarHBondContact O-N 3.3Å; K285-R288 PolarHBondContact O-N 3.17Å; A286-R288 VanDerWaalsContact C-N 3.33Å; A286-R288 PolarHBondContact O-N 2.71Å; R288-E290 VanDerWaalsContact C-N 3.34Å; R288-M291 PolarHBondContact O-N 2.91Å; R288-L292 HydrophobicContact CG-CD1 4.4Å; R288-L292 WeakPolarHBondContact O-CG 3.48Å; R288-L292 PolarHBondContact O-N 2.79Å
289I90.8Very high90.5Very high60 Ų6098.3 Ų98.331%0.30848%0.483SS..Hα-helixtrans-63.4-41.8176.3-70166.1000110.6P188 K285 A286 L292 R293P188-I289 HydrophobicContact CG-CD1 4.02Å; K285-I289 VanDerWaalsContact O-CG1 3.29Å; K285-I289 WeakPolarHBondContact O-CG1 3.48Å; K285-I289 PolarHBondContact O-N 2.82Å; A286-I289 PolarHBondContact O-N 2.75Å; I289-L292 PolarHBondContact O-N 3.33Å; I289-R293 WeakPolarHBondContact O-CG 3.32Å; I289-R293 PolarHBondContact O-N 2.82Å
290E92.2Very high90.7Very high90 Ų90102.4 Ų102.442%0.42149%0.491SS..Hα-helixtrans-65.1-41.5178.2-170.259.6-16100112A286 K287 R288 L292 R293 Q294A286-E290 PolarHBondContact O-N 2.86Å; K287-E290 PolarHBondContact O-N 3.24Å; R288-E290 VanDerWaalsContact C-N 3.34Å; E290-L292 PolarHBondContact O-N 2.95Å; E290-R293 PolarHBondContact O-N 3.33Å; E290-Q294 WeakPolarHBondContact O-CG 3.29Å; E290-Q294 PolarHBondContact O-N 3.41Å
291M92.7Very high91Very high101 Ų101103.4 Ų103.450%0.49849%0.488SS..Hα-helixtrans-60.9-44.1172.9-71.1-161.6-55.400112.3K287 R288 R293 Q294 E295K287-M291 WeakPolarHBondContact O-CG 3.26Å; K287-M291 PolarHBondContact O-N 2.98Å; R288-M291 PolarHBondContact O-N 2.91Å; M291-R293 VanDerWaalsContact C-N 3.3Å; M291-R293 PolarHBondContact O-N 3.3Å; M291-Q294 PolarHBondContact O-N 2.96Å; M291-E295 PolarHBondContact O-N 3.21Å
292L90.9Very high91.3Very high81 Ų81103.9 Ų103.942%0.42449%0.491SS..Hα-helixtrans-64.8-34177.5-73.1171.7000112.3R288 I289 E290 A296R288-L292 HydrophobicContact CG-CD1 4.4Å; R288-L292 WeakPolarHBondContact O-CG 3.48Å; R288-L292 PolarHBondContact O-N 2.79Å; I289-L292 PolarHBondContact O-N 3.33Å; E290-L292 PolarHBondContact O-N 2.95Å; L292-A296 VanDerWaalsContact O-CB 3.27Å; L292-A296 WeakPolarHBondContact O-CB 3.39Å; L292-A296 PolarHBondContact O-N 3.2Å
293R92.3Very high91.5Very high154 Ų154104.6 Ų104.658%0.58149%0.494SS*.Hα-helixtrans-66-44.2173.4-76.9177.9176.5175.2-0.7111.5I289 E290 M291 A296 E297I289-R293 WeakPolarHBondContact O-CG 3.32Å; I289-R293 PolarHBondContact O-N 2.82Å; E290-R293 PolarHBondContact O-N 3.33Å; M291-R293 VanDerWaalsContact C-N 3.3Å; M291-R293 PolarHBondContact O-N 3.3Å; R293-A296 PolarHBondContact O-N 3.11Å; R293-E297 WeakPolarHBondContact O-CG 3.38Å; R293-E297 PolarHBondContact O-N 3.4Å
294Q93.1Very high91.5Very high103 Ų103102.1 Ų102.148%0.48149%0.49SS..Hα-helixtrans-61.8-46.7176.5-70.5175.25.500111.4E290 M291 A296 E297 E298E290-Q294 WeakPolarHBondContact O-CG 3.29Å; E290-Q294 PolarHBondContact O-N 3.41Å; M291-Q294 PolarHBondContact O-N 2.96Å; Q294-A296 VanDerWaalsContact C-N 3.35Å; Q294-A296 PolarHBondContact O-N 3.3Å; Q294-E297 PolarHBondContact O-N 3.14Å; Q294-E298 WeakPolarHBondContact O-CG 3.25Å; Q294-E298 PolarHBondContact O-N 3.07Å
295E90.6Very high91.7Very high104 Ų104104.9 Ų104.949%0.48650%0.497SS..Hα-helixtrans-60.6-42.4175.9-172.4179.4-177.700111.9M291 E297 E298 L299M291-E295 PolarHBondContact O-N 3.21Å; E295-E297 PolarHBondContact O-N 2.76Å; E295-E298 PolarHBondContact O-N 3.08Å; E295-L299 WeakPolarHBondContact O-CG 3.39Å; E295-L299 PolarHBondContact O-N 3.48Å
296A91.8Very high91.7Very high44 Ų44103.3 Ų103.336%0.36450%0.497SS..Hα-helixtrans-65.6-36.7175.800000112.8L292 R293 Q294 R300L292-A296 VanDerWaalsContact O-CB 3.27Å; L292-A296 WeakPolarHBondContact O-CB 3.39Å; L292-A296 PolarHBondContact O-N 3.2Å; R293-A296 PolarHBondContact O-N 3.11Å; Q294-A296 VanDerWaalsContact C-N 3.35Å; Q294-A296 PolarHBondContact O-N 3.3Å; A296-R300 WeakPolarHBondContact O-CB 3.46Å; A296-R300 VanDerWaalsContact O-CG 3.25Å; A296-R300 WeakPolarHBondContact O-CG 3.4Å; A296-R300 PolarHBondContact O-N 3.11Å
297E92.4Very high91.7Very high105 Ų105107 Ų10749%0.49150%0.502SS..Hα-helixtrans-67-40.9173.5-77.7-170.9-170.800112.2R293 Q294 E295 R300 R301R293-E297 WeakPolarHBondContact O-CG 3.38Å; R293-E297 PolarHBondContact O-N 3.4Å; Q294-E297 PolarHBondContact O-N 3.14Å; E295-E297 PolarHBondContact O-N 2.76Å; E297-R300 PolarHBondContact O-N 3.17Å; E297-R301 WeakPolarHBondContact O-CG 3.14Å; E297-R301 PolarHBondContact O-N 3.19Å; E297-R301 IonicContact OE2-NH2 2.86Å
298E92.2Very high91.4Very high116 Ų116106 Ų10654%0.54250%0.5SS..Hα-helixtrans-62.2-46.7175.3-73.8-179.5177.600111.6Q294 E295 R300 R301 Q302Q294-E298 WeakPolarHBondContact O-CG 3.25Å; Q294-E298 PolarHBondContact O-N 3.07Å; E295-E298 PolarHBondContact O-N 3.08Å; E298-R300 VanDerWaalsContact C-N 3.33Å; E298-R300 PolarHBondContact O-N 2.83Å; E298-R301 WeakPolarHBondContact O-CB 3.39Å; E298-R301 PolarHBondContact O-N 2.59Å; E298-R301 VanDerWaalsContact O-N 3.15Å; E298-Q302 WeakPolarHBondContact O-CG 3.45Å; E298-Q302 PolarHBondContact O-N 2.88Å
299L91.7Very high91.4Very high91 Ų91102.2 Ų102.248%0.47650%0.498SS..Hα-helixtrans-59.8-42.2174.3-76.6171.4000111.8E295 R301 Q302 I303E295-L299 WeakPolarHBondContact O-CG 3.39Å; E295-L299 PolarHBondContact O-N 3.48Å; L299-R301 VanDerWaalsContact C-N 3.34Å; L299-R301 PolarHBondContact O-N 3.01Å; L299-Q302 PolarHBondContact O-N 3.07Å; L299-I303 VanDerWaalsContact O-CG1 3.25Å; L299-I303 WeakPolarHBondContact O-CG1 3.23Å; L299-I303 PolarHBondContact O-N 3.38Å
300R90.8Very high91.3Very high193 Ų193105.1 Ų105.173%0.72851%0.511SS*.Hα-helixtrans-62.1-40.6175.1-76.9174.6178.8-165.11.6112A296 E297 E298 A304A296-R300 WeakPolarHBondContact O-CB 3.46Å; A296-R300 VanDerWaalsContact O-CG 3.25Å; A296-R300 WeakPolarHBondContact O-CG 3.4Å; A296-R300 PolarHBondContact O-N 3.11Å; E297-R300 PolarHBondContact O-N 3.17Å; E298-R300 VanDerWaalsContact C-N 3.33Å; E298-R300 PolarHBondContact O-N 2.83Å; R300-A304 WeakPolarHBondContact O-CB 3.49Å; R300-A304 PolarHBondContact O-N 3.33Å
301R92.7Very high91.3Very high161 Ų161107.5 Ų107.561%0.60852%0.519SS*.Hα-helixtrans-65-43.6175.5-72.6175.9-170174.88.9111.4E297 E298 L299 A304 L305E297-R301 WeakPolarHBondContact O-CG 3.14Å; E297-R301 PolarHBondContact O-N 3.19Å; E297-R301 IonicContact OE2-NH2 2.86Å; E298-R301 WeakPolarHBondContact O-CB 3.39Å; E298-R301 PolarHBondContact O-N 2.59Å; E298-R301 VanDerWaalsContact O-N 3.15Å; L299-R301 VanDerWaalsContact C-N 3.34Å; L299-R301 PolarHBondContact O-N 3.01Å; R301-A304 PolarHBondContact O-N 2.82Å; R301-L305 WeakPolarHBondContact O-CG 3.36Å; R301-L305 PolarHBondContact O-N 3.01Å
302Q91.2Very high91.2Very high120 Ų120107.5 Ų107.556%0.56152%0.521SS*.Hα-helixtrans-62.1-44176.7-72.2-178.55.100112E298 L299 A304 L305 S306E298-Q302 WeakPolarHBondContact O-CG 3.45Å; E298-Q302 PolarHBondContact O-N 2.88Å; L299-Q302 PolarHBondContact O-N 3.07Å; Q302-A304 VanDerWaalsContact C-N 3.32Å; Q302-A304 PolarHBondContact O-N 2.95Å; Q302-L305 PolarHBondContact O-N 2.89Å; Q302-S306 PolarHBondContact O-N 3.29Å; Q302-S306 PolarHBondContact O-OG 3.5Å
303I91.5Very high91.1Very high87 Ų87109.3 Ų109.345%0.44653%0.526SS..Hα-helixtrans-64-37.1175.8-67165.1000111.3L299 S306 K307L299-I303 VanDerWaalsContact O-CG1 3.25Å; L299-I303 WeakPolarHBondContact O-CG1 3.23Å; L299-I303 PolarHBondContact O-N 3.38Å; I303-S306 WeakPolarHBondContact CA-OG 3.12Å; I303-S306 PolarHBondContact O-OG 2.85Å; I303-K307 HydrophobicContact CG2-CD 4.18Å; I303-K307 WeakPolarHBondContact O-CB 3.45Å; I303-K307 VanDerWaalsContact O-CG 3.3Å; I303-K307 WeakPolarHBondContact O-CG 3.49Å; I303-K307 PolarHBondContact O-N 3.01Å
304A91.5Very high90.9Very high49 Ų49107.9 Ų107.941%0.40553%0.526SS..Hα-helixtrans-66.8-42.8176.300000111.8R300 R301 Q302 K307 Q308R300-A304 WeakPolarHBondContact O-CB 3.49Å; R300-A304 PolarHBondContact O-N 3.33Å; R301-A304 PolarHBondContact O-N 2.82Å; Q302-A304 VanDerWaalsContact C-N 3.32Å; Q302-A304 PolarHBondContact O-N 2.95Å; A304-K307 PolarHBondContact O-N 2.99Å; A304-Q308 WeakPolarHBondContact O-CB 3.23Å; A304-Q308 WeakPolarHBondContact O-CG 3.31Å; A304-Q308 PolarHBondContact O-N 3.48Å
305L92.2Very high90.8Very high116 Ų116108.8 Ų108.861%0.60753%0.533SS*.Hα-helixtrans-64.6-42.2176.1-71.7171.4000111.8R301 Q302 Q308 A309R301-L305 WeakPolarHBondContact O-CG 3.36Å; R301-L305 PolarHBondContact O-N 3.01Å; Q302-L305 PolarHBondContact O-N 2.89Å; L305-Q308 PolarHBondContact O-N 2.9Å; L305-A309 WeakPolarHBondContact O-CB 3.47Å; L305-A309 PolarHBondContact O-N 3.2Å
306S90.2Very high90.8Very high58 Ų58111 Ų11141%0.40654%0.541SS..Hα-helixtrans-64.7-44.1177690000111.7Q302 I303 Q308 A309 E310Q302-S306 PolarHBondContact O-N 3.29Å; Q302-S306 PolarHBondContact O-OG 3.5Å; I303-S306 WeakPolarHBondContact CA-OG 3.12Å; I303-S306 PolarHBondContact O-OG 2.85Å; S306-Q308 PolarHBondContact O-N 3.45Å; S306-A309 PolarHBondContact O-N 2.93Å; S306-E310 WeakPolarHBondContact O-CG 3.38Å; S306-E310 PolarHBondContact O-N 3.24Å
307K91.4Very high90.7Very high135 Ų135113.1 Ų113.159%0.58754%0.544SS*.Hα-helixtrans-61.9-39.6174.4-75.9-179.3178.8-177.30112.8I303 A304 K311I303-K307 HydrophobicContact CG2-CD 4.18Å; I303-K307 WeakPolarHBondContact O-CB 3.45Å; I303-K307 VanDerWaalsContact O-CG 3.3Å; I303-K307 WeakPolarHBondContact O-CG 3.49Å; I303-K307 PolarHBondContact O-N 3.01Å; A304-K307 PolarHBondContact O-N 2.99Å; K307-K311 WeakPolarHBondContact O-CB 3.4Å; K307-K311 PolarHBondContact O-N 3.47Å
308Q88Confident90.7Very high121 Ų121114.3 Ų114.357%0.56555%0.547SS*.Hα-helixtrans-66.1-40.7174.6-77.9-174.6-4.400111.7A304 L305 S306 K311 N312A304-Q308 WeakPolarHBondContact O-CB 3.23Å; A304-Q308 WeakPolarHBondContact O-CG 3.31Å; A304-Q308 PolarHBondContact O-N 3.48Å; L305-Q308 PolarHBondContact O-N 2.9Å; S306-Q308 PolarHBondContact O-N 3.45Å; Q308-K311 PolarHBondContact O-N 2.98Å; Q308-N312 WeakPolarHBondContact O-CB 3.46Å; Q308-N312 VanDerWaalsContact O-CG 3.29Å; Q308-N312 PolarHBondContact O-N 3.23Å; Q308-N312 PolarHBondContact O-ND2 2.91Å
309A90.3Very high90.6Very high58 Ų58110.4 Ų110.448%0.47954%0.538SS..Hα-helixtrans-63.9-43.9176.100000112L305 S306 N312 K313L305-A309 WeakPolarHBondContact O-CB 3.47Å; L305-A309 PolarHBondContact O-N 3.2Å; S306-A309 PolarHBondContact O-N 2.93Å; A309-N312 PolarHBondContact O-N 3.43Å; A309-K313 WeakPolarHBondContact O-CB 3.37Å; A309-K313 PolarHBondContact O-N 2.87Å
310E88.9Confident90.6Very high121 Ų121111.3 Ų111.357%0.56554%0.54SS*.Hα-helixtrans-61-45.6174.2-76.3-178.9168.800111.8S306 N312 K313 Q314S306-E310 WeakPolarHBondContact O-CG 3.38Å; S306-E310 PolarHBondContact O-N 3.24Å; E310-N312 VanDerWaalsContact C-N 3.34Å; E310-N312 PolarHBondContact O-N 2.96Å; E310-K313 WeakPolarHBondContact O-CB 3.28Å; E310-K313 PolarHBondContact O-N 2.78Å; E310-Q314 WeakPolarHBondContact O-CG 3.31Å; E310-Q314 PolarHBondContact O-N 2.71Å
311K90.7Very high90.5Very high139 Ų139107.8 Ų107.860%0.60454%0.535SS*.Hα-helixtrans-61-42.9176.8-171.1178.6-179.6-178.90111.6K307 Q308 K313 Q314 L315K307-K311 WeakPolarHBondContact O-CB 3.4Å; K307-K311 PolarHBondContact O-N 3.47Å; Q308-K311 PolarHBondContact O-N 2.98Å; K311-K313 VanDerWaalsContact C-N 3.34Å; K311-Q314 PolarHBondContact O-N 3.48Å; K311-L315 WeakPolarHBondContact O-CB 3.17Å; K311-L315 PolarHBondContact O-N 3.22Å
312N90.7Very high90.4Very high101 Ų101104.7 Ų104.754%0.5453%0.528SS..Hα-helixtrans-65.4-36.7176.2-74-17000112Q308 A309 E310 L315 K316Q308-N312 WeakPolarHBondContact O-CB 3.46Å; Q308-N312 VanDerWaalsContact O-CG 3.29Å; Q308-N312 PolarHBondContact O-N 3.23Å; Q308-N312 PolarHBondContact O-ND2 2.91Å; A309-N312 PolarHBondContact O-N 3.43Å; E310-N312 VanDerWaalsContact C-N 3.34Å; E310-N312 PolarHBondContact O-N 2.96Å; N312-L315 PolarHBondContact O-N 2.87Å; N312-K316 WeakPolarHBondContact O-CG 3.37Å; N312-K316 PolarHBondContact O-N 2.97Å
313K90.1Very high90.4Very high120 Ų120106.3 Ų106.352%0.52253%0.529SS..Hα-helixtrans-65.4-47.9175-171.8-176.8177.6-167.10111.4A309 E310 K311 L315 K316 E317A309-K313 WeakPolarHBondContact O-CB 3.37Å; A309-K313 PolarHBondContact O-N 2.87Å; E310-K313 WeakPolarHBondContact O-CB 3.28Å; E310-K313 PolarHBondContact O-N 2.78Å; K311-K313 VanDerWaalsContact C-N 3.34Å; K313-L315 VanDerWaalsContact C-N 3.27Å; K313-L315 PolarHBondContact O-N 2.74Å; K313-K316 PolarHBondContact O-N 3.38Å; K313-E317 WeakPolarHBondContact CE-OE1 3.3Å; K313-E317 IonicContact NZ-OE1 3.82Å; K313-E317 WeakPolarHBondContact O-CG 3.29Å; K313-E317 PolarHBondContact O-N 3.37Å
314Q88.1Confident90.4Very high124 Ų124107.9 Ų107.958%0.57953%0.532SS*.Hα-helixtrans-59.7-37.8175.7-72178.32.400112E310 K311 E317 K318E310-Q314 WeakPolarHBondContact O-CG 3.31Å; E310-Q314 PolarHBondContact O-N 2.71Å; K311-Q314 PolarHBondContact O-N 3.48Å; Q314-E317 PolarHBondContact O-N 3.33Å; Q314-K318 VanDerWaalsContact O-CB 3.26Å; Q314-K318 WeakPolarHBondContact O-CB 3.19Å; Q314-K318 PolarHBondContact O-N 3.04Å
315L90.8Very high90.5Very high121 Ų121108 Ų10863%0.63453%0.534SS*.Hα-helixtrans-68.9-37.1178.1-151.5128.8000112.1K311 N312 K313 G319K311-L315 WeakPolarHBondContact O-CB 3.17Å; K311-L315 PolarHBondContact O-N 3.22Å; N312-L315 PolarHBondContact O-N 2.87Å; K313-L315 VanDerWaalsContact C-N 3.27Å; K313-L315 PolarHBondContact O-N 2.74Å; L315-G319 PolarHBondContact O-N 3.38Å
316K90.8Very high90.5Very high152 Ų152110.6 Ų110.666%0.66154%0.535SS*.Hα-helixtrans-66.8-47.2172-73.8-179.9-179.7-174.60112.1N312 K313 K318 G319 E320N312-K316 WeakPolarHBondContact O-CG 3.37Å; N312-K316 PolarHBondContact O-N 2.97Å; K313-K316 PolarHBondContact O-N 3.38Å; K316-K318 VanDerWaalsContact C-N 3.31Å; K316-K318 PolarHBondContact O-N 3.06Å; K316-G319 PolarHBondContact O-N 3.44Å; K316-G319 VanDerWaalsContact O-N 3.13Å; K316-E320 WeakPolarHBondContact O-CG 3.41Å; K316-E320 PolarHBondContact O-N 3.42Å
317E89.4Confident90.6Very high88 Ų88111.6 Ų111.641%0.41153%0.533SS..Hα-helixtrans-60.2-42.3177-73.6174.6178.300111.2K313 Q314 E320 L321K313-E317 WeakPolarHBondContact CE-OE1 3.3Å; K313-E317 IonicContact NZ-OE1 3.82Å; K313-E317 WeakPolarHBondContact O-CG 3.29Å; K313-E317 PolarHBondContact O-N 3.37Å; Q314-E317 PolarHBondContact O-N 3.33Å; E317-E320 PolarHBondContact O-N 3.22Å; E317-L321 WeakPolarHBondContact O-CB 3.32Å; E317-L321 VanDerWaalsContact O-CG 3.3Å; E317-L321 WeakPolarHBondContact O-CG 3.39Å; E317-L321 PolarHBondContact O-N 2.93Å
318K91.4Very high90.6Very high129 Ų129107.2 Ų107.256%0.56152%0.522SS*.Hα-helixtrans-60.7-45173.3-174.8178.2175.3-175.90111.7Q314 K316 E320 L321 E322Q314-K318 VanDerWaalsContact O-CB 3.26Å; Q314-K318 WeakPolarHBondContact O-CB 3.19Å; Q314-K318 PolarHBondContact O-N 3.04Å; K316-K318 VanDerWaalsContact C-N 3.31Å; K316-K318 PolarHBondContact O-N 3.06Å; K318-E320 PolarHBondContact O-N 2.99Å; K318-L321 PolarHBondContact O-N 2.83Å; K318-E322 WeakPolarHBondContact CE-OE1 3.44Å; K318-E322 WeakPolarHBondContact O-CG 3.35Å; K318-E322 PolarHBondContact O-N 2.78Å
319G91.4Very high90.8Very high35 Ų35107.4 Ų107.436%0.36152%0.523SS..Hα-helixtrans-63.2-38.6176.400000113.5L315 K316 E322 R323L315-G319 PolarHBondContact O-N 3.38Å; K316-G319 PolarHBondContact O-N 3.44Å; K316-G319 VanDerWaalsContact O-N 3.13Å; G319-E322 PolarHBondContact O-N 3.2Å; G319-R323 PolarHBondContact O-N 3.37Å
320E89.9Confident90.9Very high109 Ų109109.8 Ų109.851%0.50952%0.524SS..Hα-helixtrans-68-39.9175.1-73.8-176.9-176.300112.4K316 E317 K318 R323 K324K316-E320 WeakPolarHBondContact O-CG 3.41Å; K316-E320 PolarHBondContact O-N 3.42Å; E317-E320 PolarHBondContact O-N 3.22Å; K318-E320 PolarHBondContact O-N 2.99Å; E320-R323 PolarHBondContact O-N 3.41Å; E320-K324 WeakPolarHBondContact O-CB 3.24Å; E320-K324 WeakPolarHBondContact O-CG 3.42Å; E320-K324 PolarHBondContact O-N 3.44Å
321L88.6Confident90.9Very high119 Ų119109.4 Ų109.462%0.62352%0.523SS*.Hα-helixtrans-64.2-42.6174.4-73.1171.3000111.4E317 K318 R323 K324 A325E317-L321 WeakPolarHBondContact O-CB 3.32Å; E317-L321 VanDerWaalsContact O-CG 3.3Å; E317-L321 WeakPolarHBondContact O-CG 3.39Å; E317-L321 PolarHBondContact O-N 2.93Å; K318-L321 PolarHBondContact O-N 2.83Å; L321-R323 VanDerWaalsContact C-N 3.35Å; L321-K324 PolarHBondContact O-N 2.75Å; L321-A325 WeakPolarHBondContact O-CB 3.39Å; L321-A325 PolarHBondContact O-N 3.19Å
322E91.7Very high90.9Very high97 Ų97109.1 Ų109.145%0.45352%0.521SS..Hα-helixtrans-63.3-39.3174.5-75177.2-17200111.9K318 G319 A325 R326K318-E322 WeakPolarHBondContact CE-OE1 3.44Å; K318-E322 WeakPolarHBondContact O-CG 3.35Å; K318-E322 PolarHBondContact O-N 2.78Å; G319-E322 PolarHBondContact O-N 3.2Å; E322-A325 PolarHBondContact O-N 2.83Å; E322-R326 WeakPolarHBondContact O-CG 3.38Å; E322-R326 PolarHBondContact O-N 3.03Å
323R91.5Very high91Very high154 Ų154110.4 Ų110.458%0.58152%0.524SS*.Hα-helixtrans-65-47.3175.2-161-17481.1-164.4-4.4111.8G319 E320 L321 A325 R326 E327G319-R323 PolarHBondContact O-N 3.37Å; E320-R323 PolarHBondContact O-N 3.41Å; L321-R323 VanDerWaalsContact C-N 3.35Å; R323-A325 VanDerWaalsContact C-N 3.28Å; R323-A325 PolarHBondContact O-N 3.35Å; R323-R326 PolarHBondContact O-N 3.23Å; R323-E327 WeakPolarHBondContact CG-OE1 3.38Å; R323-E327 IonicContact CZ-OE1 3.79Å; R323-E327 IonicContact NE-OE1 3.48Å; R323-E327 PolarHBondContact NE-OE1 2.89Å; R323-E327 IonicContact NH2-OE1 3.17Å; R323-E327 WeakPolarHBondContact O-CG 3.39Å; R323-E327 PolarHBondContact O-N 2.95Å
324K91.5Very high90.9Very high119 Ų119111 Ų11152%0.51753%0.529SS..Hα-helixtrans-61.1-36.7175.8-74.5176.4-179.6174.50112.1E320 L321 A328E320-K324 WeakPolarHBondContact O-CB 3.24Å; E320-K324 WeakPolarHBondContact O-CG 3.42Å; E320-K324 PolarHBondContact O-N 3.44Å; L321-K324 PolarHBondContact O-N 2.75Å; K324-A328 VanDerWaalsContact O-CB 3.28Å; K324-A328 WeakPolarHBondContact O-CB 3.32Å; K324-A328 PolarHBondContact O-N 2.7Å
325A92.4Very high90.9Very high53 Ų53111.4 Ų111.444%0.43853%0.531SS..Hα-helixtrans-66.5-39.8176.100000112.2L321 E322 R323 A328 Q329L321-A325 WeakPolarHBondContact O-CB 3.39Å; L321-A325 PolarHBondContact O-N 3.19Å; E322-A325 PolarHBondContact O-N 2.83Å; R323-A325 VanDerWaalsContact C-N 3.28Å; R323-A325 PolarHBondContact O-N 3.35Å; A325-A328 PolarHBondContact O-N 2.9Å; A325-Q329 WeakPolarHBondContact O-CG 3.49Å; A325-Q329 PolarHBondContact O-N 2.74Å
326R92.6Very high90.8Very high169 Ų169112.2 Ų112.264%0.63853%0.531SS*.Hα-helixtrans-66.1-47.5173.6-73.1-178.1-177.8179.22.5112.1E322 R323 A328 Q329 E330E322-R326 WeakPolarHBondContact O-CG 3.38Å; E322-R326 PolarHBondContact O-N 3.03Å; R323-R326 PolarHBondContact O-N 3.23Å; R326-A328 VanDerWaalsContact C-N 3.26Å; R326-A328 PolarHBondContact O-N 3.46Å; R326-Q329 PolarHBondContact O-N 3.04Å; R326-Q329 VanDerWaalsContact O-N 3.09Å; R326-E330 WeakPolarHBondContact O-CG 3.43Å; R326-E330 PolarHBondContact O-N 2.89Å
327E92.2Very high90.8Very high79 Ų79107.3 Ų107.337%0.36952%0.519SS..Hα-helixtrans-57.2-41175.8-71.3168.6-163.800111.1R323 E330 Q331R323-E327 WeakPolarHBondContact CG-OE1 3.38Å; R323-E327 IonicContact CZ-OE1 3.79Å; R323-E327 IonicContact NE-OE1 3.48Å; R323-E327 PolarHBondContact NE-OE1 2.89Å; R323-E327 IonicContact NH2-OE1 3.17Å; R323-E327 WeakPolarHBondContact O-CG 3.39Å; R323-E327 PolarHBondContact O-N 2.95Å; E327-E330 PolarHBondContact O-N 3.34Å; E327-Q331 WeakPolarHBondContact O-CB 3.17Å; E327-Q331 VanDerWaalsContact O-CG 3.29Å; E327-Q331 WeakPolarHBondContact O-CG 3.27Å; E327-Q331 PolarHBondContact O-N 2.83Å
328A92.3Very high90.7Very high43 Ų43105.9 Ų105.936%0.35552%0.522SS..Hα-helixtrans-69.5-32.8176.400000113.5K324 A325 R326 K332K324-A328 VanDerWaalsContact O-CB 3.28Å; K324-A328 WeakPolarHBondContact O-CB 3.32Å; K324-A328 PolarHBondContact O-N 2.7Å; A325-A328 PolarHBondContact O-N 2.9Å; R326-A328 VanDerWaalsContact C-N 3.26Å; R326-A328 PolarHBondContact O-N 3.46Å; A328-K332 WeakPolarHBondContact O-CG 3.34Å; A328-K332 PolarHBondContact O-N 2.81Å; A328-K332 VanDerWaalsContact O-N 3.15Å
329Q91.2Very high90.4Very high125 Ų125104.6 Ų104.658%0.58452%0.521SS*.Hα-helixtrans-68.9-45.5172.6-79.4179.9-33.400111.2A325 R326 Q331 K332 E333A325-Q329 WeakPolarHBondContact O-CG 3.49Å; A325-Q329 PolarHBondContact O-N 2.74Å; R326-Q329 PolarHBondContact O-N 3.04Å; R326-Q329 VanDerWaalsContact O-N 3.09Å; Q329-Q331 VanDerWaalsContact C-N 3.31Å; Q329-Q331 PolarHBondContact O-N 2.87Å; Q329-K332 WeakPolarHBondContact O-CB 3.42Å; Q329-K332 PolarHBondContact O-N 2.9Å; Q329-K332 VanDerWaalsContact O-N 3.15Å; Q329-E333 WeakPolarHBondContact O-CG 3.32Å; Q329-E333 PolarHBondContact O-N 3.33Å
330E92.3Very high90.3Very high108 Ų108105.5 Ų105.551%0.50553%0.525SS..Hα-helixtrans-61.1-39.5176.1-71.8175.8-173.700111.7R326 E327 E333 Q334R326-E330 WeakPolarHBondContact O-CG 3.43Å; R326-E330 PolarHBondContact O-N 2.89Å; E327-E330 PolarHBondContact O-N 3.34Å; E330-E333 PolarHBondContact O-N 2.99Å; E330-Q334 WeakPolarHBondContact O-CB 3.31Å; E330-Q334 VanDerWaalsContact O-CG 3.26Å; E330-Q334 WeakPolarHBondContact O-CG 3.36Å; E330-Q334 PolarHBondContact O-N 3.17Å
331Q89Confident90Very high114 Ų114109.7 Ų109.753%0.53354%0.536SS..Hα-helixtrans-62-43.7173.6-77.7176.30.900112E327 Q329 Q334 E335E327-Q331 WeakPolarHBondContact O-CB 3.17Å; E327-Q331 VanDerWaalsContact O-CG 3.29Å; E327-Q331 WeakPolarHBondContact O-CG 3.27Å; E327-Q331 PolarHBondContact O-N 2.83Å; Q329-Q331 VanDerWaalsContact C-N 3.31Å; Q329-Q331 PolarHBondContact O-N 2.87Å; Q331-Q334 PolarHBondContact O-N 2.87Å; Q331-E335 WeakPolarHBondContact O-CB 3.49Å; Q331-E335 WeakPolarHBondContact O-CG 3.47Å; Q331-E335 PolarHBondContact O-N 3.29Å
332K91.9Very high89.6Confident132 Ų132111.6 Ų111.657%0.57454%0.535SS*.Hα-helixtrans-62.8-43.5175.6-75.7178.3176.8-171.60112.3A328 Q329 Q334 E335 E336A328-K332 WeakPolarHBondContact O-CG 3.34Å; A328-K332 PolarHBondContact O-N 2.81Å; A328-K332 VanDerWaalsContact O-N 3.15Å; Q329-K332 WeakPolarHBondContact O-CB 3.42Å; Q329-K332 PolarHBondContact O-N 2.9Å; Q329-K332 VanDerWaalsContact O-N 3.15Å; K332-Q334 VanDerWaalsContact C-N 3.3Å; K332-Q334 PolarHBondContact O-N 3.46Å; K332-E335 PolarHBondContact O-N 2.77Å; K332-E336 WeakPolarHBondContact O-CB 3.47Å; K332-E336 WeakPolarHBondContact O-CG 3.31Å; K332-E336 PolarHBondContact O-N 3.44Å
333E91.2Very high89.1Confident129 Ų129111.7 Ų111.760%0.60354%0.536SS*.Hα-helixtrans-63-37.6175.7-71.7179.3-179.500111.7Q329 E330 A337Q329-E333 WeakPolarHBondContact O-CG 3.32Å; Q329-E333 PolarHBondContact O-N 3.33Å; E330-E333 PolarHBondContact O-N 2.99Å; E333-A337 WeakPolarHBondContact O-CB 3.37Å; E333-A337 PolarHBondContact O-N 2.85Å
334Q89.5Confident88.7Confident132 Ų132107.4 Ų107.462%0.61753%0.533SS*.Hα-helixtrans-67.2-41.9174.1-74.3176.322.500112.4E330 Q331 K332 A337 A338E330-Q334 WeakPolarHBondContact O-CB 3.31Å; E330-Q334 VanDerWaalsContact O-CG 3.26Å; E330-Q334 WeakPolarHBondContact O-CG 3.36Å; E330-Q334 PolarHBondContact O-N 3.17Å; Q331-Q334 PolarHBondContact O-N 2.87Å; K332-Q334 VanDerWaalsContact C-N 3.3Å; K332-Q334 PolarHBondContact O-N 3.46Å; Q334-A337 PolarHBondContact O-N 2.83Å; Q334-A338 VanDerWaalsContact O-CB 3.24Å; Q334-A338 WeakPolarHBondContact O-CB 3.28Å; Q334-A338 PolarHBondContact O-N 3.3Å
335E86.9Confident88.2Confident132 Ų132109 Ų10962%0.61754%0.54SS*.Hα-helixtrans-63.2-46.4175-75.4177174.300111.1Q331 K332 A338 L339Q331-E335 WeakPolarHBondContact O-CB 3.49Å; Q331-E335 WeakPolarHBondContact O-CG 3.47Å; Q331-E335 PolarHBondContact O-N 3.29Å; K332-E335 PolarHBondContact O-N 2.77Å; E335-A338 PolarHBondContact O-N 3.02Å; E335-L339 WeakPolarHBondContact O-CB 3.36Å; E335-L339 PolarHBondContact O-N 2.96Å
336E88.4Confident87.1Confident138 Ų138110.9 Ų110.965%0.64554%0.54SS*.Hα-helixtrans-62.6-42.9175.6-74.4179.5-177.500111.6K332 A338 L339 A340K332-E336 WeakPolarHBondContact O-CB 3.47Å; K332-E336 WeakPolarHBondContact O-CG 3.31Å; K332-E336 PolarHBondContact O-N 3.44Å; E336-A338 PolarHBondContact O-N 3.3Å; E336-L339 PolarHBondContact O-N 2.72Å; E336-A340 WeakPolarHBondContact O-CB 3.19Å; E336-A340 PolarHBondContact O-N 2.77Å
337A90.8Very high85.8Confident50 Ų50111.3 Ų111.341%0.41355%0.547SS..Hα-helixtrans-66.4-35.4175.400000112.5E333 Q334 R341E333-A337 WeakPolarHBondContact O-CB 3.37Å; E333-A337 PolarHBondContact O-N 2.85Å; Q334-A337 PolarHBondContact O-N 2.83Å; A337-R341 WeakPolarHBondContact O-CB 3.42Å; A337-R341 VanDerWaalsContact O-CG 3.3Å; A337-R341 WeakPolarHBondContact O-CG 3.39Å; A337-R341 PolarHBondContact O-N 2.85Å
338A87.7Confident84.3Confident57 Ų57110.6 Ų110.647%0.47156%0.56SS.*Hα-helixtrans-67.8-42174.900000111.3Q334 E335 E336 R341 W342Q334-A338 VanDerWaalsContact O-CB 3.24Å; Q334-A338 WeakPolarHBondContact O-CB 3.28Å; Q334-A338 PolarHBondContact O-N 3.3Å; E335-A338 PolarHBondContact O-N 3.02Å; E336-A338 PolarHBondContact O-N 3.3Å; A338-R341 PolarHBondContact O-N 3.09Å; A338-W342 PolarHBondContact O-N 3.1Å
339L86Confident82.4Confident102 Ų102115.4 Ų115.453%0.53458%0.576SS.*Hα-helixtrans-64.8-44.5176.5-158.8140.3000110.9E335 E336 R341 W342 E343E335-L339 WeakPolarHBondContact O-CB 3.36Å; E335-L339 PolarHBondContact O-N 2.96Å; E336-L339 PolarHBondContact O-N 2.72Å; L339-R341 PolarHBondContact O-N 3.46Å; L339-W342 PolarHBondContact O-N 3.33Å; L339-W342 VanDerWaalsContact O-N 3.17Å; L339-E343 HydrophobicContact CD2-CG 4.31Å; L339-E343 WeakPolarHBondContact O-CG 3.45Å; L339-E343 PolarHBondContact O-N 2.99Å
340A88Confident80.3Confident55 Ų55115 Ų11546%0.45558%0.582SS.*Hα-helixtrans-61.8-39173.800000113E336 A344E336-A340 WeakPolarHBondContact O-CB 3.19Å; E336-A340 PolarHBondContact O-N 2.77Å; A340-A344 WeakPolarHBondContact O-CB 3.47Å; A340-A344 PolarHBondContact O-N 3.2Å
341R85.3Confident77.9Confident196 Ų196118.1 Ų118.174%0.7460%0.602SS**Hα-helixtrans-65.5-38.2173.8-79.8176.9179.1-175.42.1112.3A337 A338 L339 K345A337-R341 WeakPolarHBondContact O-CB 3.42Å; A337-R341 VanDerWaalsContact O-CG 3.3Å; A337-R341 WeakPolarHBondContact O-CG 3.39Å; A337-R341 PolarHBondContact O-N 2.85Å; A338-R341 PolarHBondContact O-N 3.09Å; L339-R341 PolarHBondContact O-N 3.46Å; R341-K345 PolarHBondContact O-N 3.48Å; R341-K345 VanDerWaalsContact O-N 3.16Å
342W80.4Confident75.6Confident159 Ų159115.6 Ų115.660%0.60261%0.606SS**Hα-helixtrans-68.2-45.2176.8-177.889.1000111.3A338 L339 A344 K345 Q346A338-W342 PolarHBondContact O-N 3.1Å; L339-W342 PolarHBondContact O-N 3.33Å; L339-W342 VanDerWaalsContact O-N 3.17Å; W342-A344 VanDerWaalsContact C-N 3.31Å; W342-A344 PolarHBondContact O-N 3.38Å; W342-K345 WeakPolarHBondContact O-CB 3.46Å; W342-K345 PolarHBondContact O-N 2.98Å; W342-Q346 HydrophobicContact CD2-CG 4.12Å; W342-Q346 HydrophobicContact CE3-CG 4.18Å; W342-Q346 HydrophobicContact CH2-CG 3.92Å; W342-Q346 HydrophobicContact CZ2-CG 3.84Å; W342-Q346 HydrophobicContact CZ3-CG 4.09Å; W342-Q346 PolarHBondContact O-N 3.26Å
343E80.6Confident73Confident99 Ų99117.2 Ų117.246%0.46362%0.621SS.*Hα-helixtrans-60.6-38.2174.8-73.4-172.7169.700112.5L339 Q346 K347L339-E343 HydrophobicContact CD2-CG 4.31Å; L339-E343 WeakPolarHBondContact O-CG 3.45Å; L339-E343 PolarHBondContact O-N 2.99Å; E343-Q346 PolarHBondContact O-N 2.97Å; E343-K347 PolarHBondContact O-N 3.3Å
344A81.9Confident70.2Confident64 Ų64115.2 Ų115.253%0.52962%0.621SS.*Hα-helixtrans-65.9-37.6175.900000112.7A340 W342 K347 G348A340-A344 WeakPolarHBondContact O-CB 3.47Å; A340-A344 PolarHBondContact O-N 3.2Å; W342-A344 VanDerWaalsContact C-N 3.31Å; W342-A344 PolarHBondContact O-N 3.38Å; A344-K347 PolarHBondContact O-N 3.13Å; A344-G348 PolarHBondContact O-N 2.98Å; A344-G348 VanDerWaalsContact O-N 3.11Å
345K81Confident67.8Low152 Ų152117.9 Ų117.966%0.66163%0.631SS**Hα-helixtrans-64.3-45.3173.2-81.9-176.6173-175.20111.5R341 W342 K347 G348 E349R341-K345 PolarHBondContact O-N 3.48Å; R341-K345 VanDerWaalsContact O-N 3.16Å; W342-K345 WeakPolarHBondContact O-CB 3.46Å; W342-K345 PolarHBondContact O-N 2.98Å; K345-K347 VanDerWaalsContact C-N 3.28Å; K345-K347 PolarHBondContact O-N 3.21Å; K345-G348 PolarHBondContact O-N 3.03Å; K345-E349 PolarHBondContact O-N 2.99Å; K345-E349 VanDerWaalsContact O-N 3.15Å
346Q70.4Confident65.5Low94 Ų94117.7 Ų117.744%0.43964%0.639SS.*Hα-helixtrans-61.6-35.4178.1-72-62-31.200112.4W342 E343 V350W342-Q346 HydrophobicContact CD2-CG 4.12Å; W342-Q346 HydrophobicContact CE3-CG 4.18Å; W342-Q346 HydrophobicContact CH2-CG 3.92Å; W342-Q346 HydrophobicContact CZ2-CG 3.84Å; W342-Q346 HydrophobicContact CZ3-CG 4.09Å; W342-Q346 PolarHBondContact O-N 3.26Å; E343-Q346 PolarHBondContact O-N 2.97Å; Q346-V350 WeakPolarHBondContact O-CG2 3.49Å
347K64.8Low62.9Low177 Ų177118.1 Ų118.177%0.7765%0.651SS**Hα-helixtrans-73.2-25.5173.1-78.5-178.1177.9172.30114.2E343 A344 K345E343-K347 PolarHBondContact O-N 3.3Å; A344-K347 PolarHBondContact O-N 3.13Å; K345-K347 VanDerWaalsContact C-N 3.28Å; K345-K347 PolarHBondContact O-N 3.21Å
348G60.6Low60.8Low64 Ų64124 Ų12466%0.6667%0.67SS**Hα-helixtrans-85.8-13.8179.500000114.9A344 K345A344-G348 PolarHBondContact O-N 2.98Å; A344-G348 VanDerWaalsContact O-N 3.11Å; K345-G348 PolarHBondContact O-N 3.03Å
349E53.4Low58.8Low145 Ų145126.4 Ų126.468%0.67868%0.681SS**SBendtrans-99.613.5-174.1-150.9167167.900113.3K345K345-E349 PolarHBondContact O-N 2.99Å; K345-E349 VanDerWaalsContact O-N 3.15Å
350V46.9Very low56.8Low117 Ų117129.4 Ų129.471%0.70970%0.696SS**THydrogen-bonded Turntrans-88.80.3-176.9-176.80000113.9Q346Q346-V350 WeakPolarHBondContact O-CG2 3.49Å
351D42.4Very low54.7Low173 Ų173130.8 Ų130.893%0.92570%0.699SS**THydrogen-bonded Turntrans-109.720.1-178.6-80.7-31.7000115.2
352G39.1Very low53Low61 Ų61127.9 Ų127.963%0.62970%0.698SS**SBendtrans-144.794.9-171.800000116
353D37.2Very low51.7Low165 Ų165126.4 Ų126.488%0.88270%0.702SS**  trans58.8138.1150.6-109.5-29.5000123.5
354S33.4Very low50.7Low87 Ų87127.1 Ų127.161%0.60871%0.709SS**  trans-69.7157.3-174.1620000116.1
355K39Very low49.8Very low188 Ų188129.7 Ų129.782%0.81771%0.713SS**  trans90.692.6163.7-55.6169.9-176.9172.30115.8
356T37.6Very low49.1Very low128 Ų128126.3 Ų126.379%0.78571%0.706SS**  179.510695.4-460000106.9Q358T356-Q358 PolarHBondContact O-N 3.39Å
357T34.9Very low49Very low147 Ų147128.2 Ų128.290%0.90271%0.713SS**  trans-72.994.1-179.937.20000110.4
358Q45.6Very low49.5Very low174 Ų174123.3 Ų123.381%0.81370%0.698SS**  trans-85.7130.5156.1-70.8-166.8-8.200108.2T356 L360T356-Q358 PolarHBondContact O-N 3.39Å; Q358-L360 PolarHBondContact O-N 3.26Å
359P45.7Very low50.3Low107 Ų107123.1 Ų123.170%0.69569%0.69SS**  trans-71.2122.4179.632.2-33.3000108.2V361P359-V361 HydrophobicContact CB-CG2 4.02Å; P359-V361 HydrophobicContact CG-CG2 4.45Å; P359-V361 PolarHBondContact O-N 3.32Å
360L44.5Very low51.3Low165 Ų165121.1 Ų121.186%0.86468%0.684SS**  trans-6387.2166.9-177.868.9000108Q358Q358-L360 PolarHBondContact O-N 3.26Å
361V45Very low52.9Low84 Ų84121.5 Ų121.551%0.50968%0.676SS.*  trans-124.758.8171.3-170.50000107P359P359-V361 HydrophobicContact CB-CG2 4.02Å; P359-V361 HydrophobicContact CG-CG2 4.45Å; P359-V361 PolarHBondContact O-N 3.32Å
362D48.9Very low54.6Low136 Ų136116 Ų11673%0.72765%0.654SS**  trans-112.585.7178-74.9-30000108.2
363D54.1Low56.6Low127 Ų127115.1 Ų115.168%0.67964%0.639SS**SBendtrans176.72.1150.1-89.4-19.2000114.3T366D363-T366 PolarHBondContact O-OG1 2.94Å
364L59.1Low58.3Low115 Ų115114.9 Ų114.960%0.60263%0.627SS**Hα-helixtrans-89.4-32.1171.6-165.362.6000112.6F367 T368L364-F367 PolarHBondContact O-N 2.94Å; L364-T368 VanDerWaalsContact O-CG2 3.29Å; L364-T368 WeakPolarHBondContact O-CG2 3.08Å; L364-T368 PolarHBondContact O-N 3.09Å; L364-T368 PolarHBondContact O-OG1 3.45Å
365D63.1Low60.4Low117 Ų117116.4 Ų116.463%0.62662%0.622SS**Hα-helixtrans-75.9-30.1179.5-76-6.4000112.6T368 A369D365-T368 WeakPolarHBondContact CA-OG1 3.38Å; D365-T368 PolarHBondContact O-OG1 2.98Å; D365-T368 VanDerWaalsContact O-OG1 3.04Å; D365-A369 WeakPolarHBondContact O-CB 3.49Å; D365-A369 PolarHBondContact O-N 3.4Å
366T65.5Low62Low82 Ų82109.9 Ų109.950%0.50360%0.603SS.*Hα-helixtrans-69.2-42.1169.750.90000111.1D363 A369 D370D363-T366 PolarHBondContact O-OG1 2.94Å; T366-A369 PolarHBondContact O-N 3.18Å; T366-D370 PolarHBondContact O-N 2.94Å
367F68Low63.6Low134 Ų134110.5 Ų110.559%0.58860%0.595SS**Hα-helixtrans-65.7-39.1175.9-169.1-96.3000112.5L364 D370 F371L364-F367 PolarHBondContact O-N 2.94Å; F367-D370 PolarHBondContact O-N 2.93Å; F367-F371 WeakPolarHBondContact O-CB 3.46Å; F367-F371 PolarHBondContact O-N 3.24Å
368T75.7Confident65.1Low74 Ų74107.4 Ų107.445%0.45458%0.58SS.*Hα-helixtrans-69.6-34.5176.156.40000112.1L364 D365 A372L364-T368 VanDerWaalsContact O-CG2 3.29Å; L364-T368 WeakPolarHBondContact O-CG2 3.08Å; L364-T368 PolarHBondContact O-N 3.09Å; L364-T368 PolarHBondContact O-OG1 3.45Å; D365-T368 WeakPolarHBondContact CA-OG1 3.38Å; D365-T368 PolarHBondContact O-OG1 2.98Å; D365-T368 VanDerWaalsContact O-OG1 3.04Å; T368-A372 WeakPolarHBondContact O-CB 3.24Å; T368-A372 PolarHBondContact O-N 2.9Å
369A77.3Confident65.9Low59 Ų59106.7 Ų106.749%0.48857%0.574SS.*Hα-helixtrans-66.9-43.9172.400000112.4D365 T366 A372 S373D365-A369 WeakPolarHBondContact O-CB 3.49Å; D365-A369 PolarHBondContact O-N 3.4Å; T366-A369 PolarHBondContact O-N 3.18Å; A369-A372 PolarHBondContact O-N 3.3Å; A369-S373 PolarHBondContact O-N 3.24Å
370D74.6Confident66.5Low103 Ų103107.5 Ų107.555%0.55157%0.572SS**Hα-helixtrans-67.1-43176.5-89.5-10.3000112T366 F367 A372 S373 Y374T366-D370 PolarHBondContact O-N 2.94Å; F367-D370 PolarHBondContact O-N 2.93Å; D370-A372 VanDerWaalsContact C-N 3.3Å; D370-A372 PolarHBondContact O-N 2.97Å; D370-S373 PolarHBondContact O-N 3.01Å; D370-S373 VanDerWaalsContact O-N 3.15Å; D370-S373 PolarHBondContact O-OG 3.07Å; D370-Y374 WeakPolarHBondContact O-CD2 3.06Å; D370-Y374 PolarHBondContact O-N 2.95Å
371F79.6Confident67Low125 Ų125102.9 Ų102.955%0.54856%0.558SS.*Hα-helixtrans-63-38174.4-167.1-96.6000111.5F367 K375F367-F371 WeakPolarHBondContact O-CB 3.46Å; F367-F371 PolarHBondContact O-N 3.24Å; F371-K375 HydrophobicContact CE1-CD 4.42Å; F371-K375 WeakPolarHBondContact O-CB 3.5Å; F371-K375 PolarHBondContact O-N 2.77Å
372A79.7Confident67.6Low57 Ų57102 Ų10247%0.47155%0.55SS..Hα-helixtrans-64.7-40.2172.900000111.9T368 A369 D370 K375 A376T368-A372 WeakPolarHBondContact O-CB 3.24Å; T368-A372 PolarHBondContact O-N 2.9Å; A369-A372 PolarHBondContact O-N 3.3Å; D370-A372 VanDerWaalsContact C-N 3.3Å; D370-A372 PolarHBondContact O-N 2.97Å; A372-K375 PolarHBondContact O-N 2.95Å; A372-A376 WeakPolarHBondContact O-CB 3.27Å; A372-A376 PolarHBondContact O-N 3.33Å
373S79.4Confident68.1Low43 Ų43105.1 Ų105.130%0.30156%0.557SS.*Hα-helixtrans-65.9-42.1177.789.50000112.3A369 D370 A376 K377A369-S373 PolarHBondContact O-N 3.24Å; D370-S373 PolarHBondContact O-N 3.01Å; D370-S373 VanDerWaalsContact O-N 3.15Å; D370-S373 PolarHBondContact O-OG 3.07Å; S373-A376 PolarHBondContact O-N 3.27Å; S373-K377 WeakPolarHBondContact O-CG 3.41Å; S373-K377 PolarHBondContact O-N 3Å
374Y73Confident68.5Low161 Ų161101.8 Ų101.863%0.63155%0.553SS**Hα-helixtrans-68.1-38.7174.7-88.8-77.3000112.1D370 A376 K377 S378D370-Y374 WeakPolarHBondContact O-CD2 3.06Å; D370-Y374 PolarHBondContact O-N 2.95Å; Y374-A376 VanDerWaalsContact C-N 3.3Å; Y374-A376 PolarHBondContact O-N 2.91Å; Y374-K377 PolarHBondContact O-N 3.39Å; Y374-S378 VanDerWaalsContact O-CB 3.25Å; Y374-S378 WeakPolarHBondContact O-CB 3.23Å; Y374-S378 PolarHBondContact O-N 3.42Å
375K77.3Confident69Low118 Ų118100.6 Ų100.651%0.51355%0.554SS.*Hα-helixtrans-66-33.2174.6-165.5173.3-173.5174.80111.8F371 A372 K379F371-K375 HydrophobicContact CE1-CD 4.42Å; F371-K375 WeakPolarHBondContact O-CB 3.5Å; F371-K375 PolarHBondContact O-N 2.77Å; A372-K375 PolarHBondContact O-N 2.95Å; K375-K379 WeakPolarHBondContact O-CB 3.39Å; K375-K379 VanDerWaalsContact O-CG 3.31Å; K375-K379 WeakPolarHBondContact O-CG 3.41Å; K375-K379 PolarHBondContact O-N 3.35Å
376A74.4Confident69.4Low51 Ų51101 Ų10142%0.42155%0.552SS.*Hα-helixtrans-68.9-45172.200000111.8A372 S373 Y374 S378 K379 N380A372-A376 WeakPolarHBondContact O-CB 3.27Å; A372-A376 PolarHBondContact O-N 3.33Å; S373-A376 PolarHBondContact O-N 3.27Å; Y374-A376 VanDerWaalsContact C-N 3.3Å; Y374-A376 PolarHBondContact O-N 2.91Å; A376-S378 VanDerWaalsContact C-N 3.31Å; A376-S378 PolarHBondContact O-N 2.89Å; A376-K379 PolarHBondContact O-N 3.16Å; A376-N380 PolarHBondContact O-N 3.05Å
377K70.8Confident69.7Low141 Ų141105.4 Ų105.461%0.61356%0.56SS**Hα-helixtrans-62.1-36.7174.5-71.1172.5-176.6172.40112.6S373 Y374 N380S373-K377 WeakPolarHBondContact O-CG 3.41Å; S373-K377 PolarHBondContact O-N 3Å; Y374-K377 PolarHBondContact O-N 3.39Å; K377-N380 PolarHBondContact O-N 2.84Å
378S65.9Low70.2Confident83 Ų83105.4 Ų105.458%0.5856%0.561SS**Hα-helixtrans-68.9-36.8174.4160.40000112.8Y374 A376 N380 A381Y374-S378 VanDerWaalsContact O-CB 3.25Å; Y374-S378 WeakPolarHBondContact O-CB 3.23Å; Y374-S378 PolarHBondContact O-N 3.42Å; A376-S378 VanDerWaalsContact C-N 3.31Å; A376-S378 PolarHBondContact O-N 2.89Å; S378-N380 VanDerWaalsContact C-N 3.3Å; S378-N380 PolarHBondContact O-N 3.22Å; S378-A381 WeakPolarHBondContact O-CB 3.4Å; S378-A381 PolarHBondContact O-N 3.05Å; S378-A381 VanDerWaalsContact O-N 3.12Å
379K62.5Low70.6Confident158 Ų158104.6 Ų104.669%0.68756%0.563SS**Hα-helixtrans-71.5-24.7174.1-77.4179.4177.7-172.80113.2K375 A376 A381K375-K379 WeakPolarHBondContact O-CB 3.39Å; K375-K379 VanDerWaalsContact O-CG 3.31Å; K375-K379 WeakPolarHBondContact O-CG 3.41Å; K375-K379 PolarHBondContact O-N 3.35Å; A376-K379 PolarHBondContact O-N 3.16Å; K379-A381 PolarHBondContact O-N 3.31Å
380N58.8Low70.8Confident124 Ų124105 Ų10566%0.66356%0.559SS**THydrogen-bonded Turntrans-76.712.3168.8-66.2-5.5000112.8A376 K377 S378 I382A376-N380 PolarHBondContact O-N 3.05Å; K377-N380 PolarHBondContact O-N 2.84Å; S378-N380 VanDerWaalsContact C-N 3.3Å; S378-N380 PolarHBondContact O-N 3.22Å; N380-I382 PolarHBondContact O-N 3.25Å
381A55.1Low71.1Confident68 Ų68103.8 Ų103.856%0.56256%0.555SS**  trans-66.383.9159.900000108.7S378 K379 K383S378-A381 WeakPolarHBondContact O-CB 3.4Å; S378-A381 PolarHBondContact O-N 3.05Å; S378-A381 VanDerWaalsContact O-N 3.12Å; K379-A381 PolarHBondContact O-N 3.31Å; A381-K383 PolarHBondContact O-N 3.17Å; A381-K383 VanDerWaalsContact O-N 3.12Å
382I55.9Low71.4Confident66 Ų66102.9 Ų102.934%0.33856%0.555SS.*  trans-47.8116178.5-66.3169.6000109.3N380 E386 R387 V390N380-I382 PolarHBondContact O-N 3.25Å; I382-E386 HydrophobicContact CG2-CB 3.51Å; I382-E386 HydrophobicContact CG2-CG 4.12Å; I382-R387 HydrophobicContact CG2-CB 4.21Å; I382-R387 VanDerWaalsContact CG2-N 3.27Å; I382-V390 HydrophobicContact CD1-CG2 4.23Å
383K61.2Low71.8Confident201 Ų201102.5 Ų102.587%0.87455%0.549SS*.  trans-98.7125.1171.8-74.8-178.3178.3177.90108.9A381A381-K383 PolarHBondContact O-N 3.17Å; A381-K383 VanDerWaalsContact O-N 3.12Å
384G61.6Low72.1Confident58 Ų58105.8 Ų105.860%0.59856%0.563SS**SBendtrans73.9128.9164.800000114.9E386G384-E386 VanDerWaalsContact C-N 3.3Å; G384-E386 PolarHBondContact O-N 3.27Å
385S69.4Low72.8Confident89 Ų89103.7 Ų103.762%0.62256%0.562SS**SBendtrans60.1-59.3-176.6-165.10000117R387 E388 A389S385-R387 PolarHBondContact O-N 3.05Å; S385-E388 WeakPolarHBondContact O-CB 3.45Å; S385-E388 PolarHBondContact O-N 2.91Å; S385-A389 PolarHBondContact O-N 2.93Å
386E72.3Confident73.3Confident126 Ų126104.4 Ų104.459%0.58957%0.567SS**Hα-helixtrans-72.2-21-176.7-24.4170.4128.800112.1I382 G384 E388 A389 V390I382-E386 HydrophobicContact CG2-CB 3.51Å; I382-E386 HydrophobicContact CG2-CG 4.12Å; G384-E386 VanDerWaalsContact C-N 3.3Å; G384-E386 PolarHBondContact O-N 3.27Å; E386-E388 VanDerWaalsContact C-N 3.27Å; E386-E388 PolarHBondContact O-N 2.95Å; E386-A389 PolarHBondContact O-N 3.48Å; E386-V390 WeakPolarHBondContact O-CG2 3.43Å; E386-V390 PolarHBondContact O-N 2.84Å
387R72.1Confident73.9Confident175 Ų175111 Ų11166%0.6658%0.581SS**Hα-helixtrans-63.4-38.1170.6-172.4178.8176.7178.20.2110.7I382 S385 V390 T391I382-R387 HydrophobicContact CG2-CB 4.21Å; I382-R387 VanDerWaalsContact CG2-N 3.27Å; S385-R387 PolarHBondContact O-N 3.05Å; R387-V390 PolarHBondContact O-N 2.93Å; R387-T391 VanDerWaalsContact O-CG2 3.32Å; R387-T391 WeakPolarHBondContact O-CG2 3.33Å; R387-T391 PolarHBondContact O-N 3.24Å; R387-T391 PolarHBondContact O-OG1 2.89Å; R387-T391 VanDerWaalsContact O-OG1 3.09Å
388E78.1Confident74.5Confident133 Ų133109.6 Ų109.662%0.62158%0.575SS**Hα-helixtrans-66.6-43.5176.5-64.8176.6172.400110.1S385 E386 V390 T391 L392S385-E388 WeakPolarHBondContact O-CB 3.45Å; S385-E388 PolarHBondContact O-N 2.91Å; E386-E388 VanDerWaalsContact C-N 3.27Å; E386-E388 PolarHBondContact O-N 2.95Å; E388-V390 PolarHBondContact O-N 2.98Å; E388-T391 VanDerWaalsContact CA-OG1 3.24Å; E388-T391 WeakPolarHBondContact CA-OG1 3.39Å; E388-T391 CarbonylContact O-C 3.56Å; E388-T391 PolarHBondContact O-N 3.39Å; E388-T391 PolarHBondContact O-OG1 3.32Å; E388-L392 WeakPolarHBondContact O-CB 3.45Å; E388-L392 VanDerWaalsContact O-CG 3.3Å; E388-L392 WeakPolarHBondContact O-CG 3.3Å; E388-L392 PolarHBondContact O-N 3.48Å
389A82.7Confident75.3Confident58 Ų58106.5 Ų106.548%0.47956%0.556SS.*Hα-helixtrans-61.1-43.517500000112.6S385 E386 L392 S393S385-A389 PolarHBondContact O-N 2.93Å; E386-A389 PolarHBondContact O-N 3.48Å; A389-L392 PolarHBondContact O-N 3.26Å; A389-S393 PolarHBondContact O-N 3.29Å; A389-S393 PolarHBondContact O-OG 3.22Å
390V81.7Confident76.3Confident68 Ų68103.3 Ų103.341%0.41255%0.547SS..Hα-helixtrans-62.5-43.5174.21730000110.7I382 E386 R387 E388 S393 L394I382-V390 HydrophobicContact CD1-CG2 4.23Å; E386-V390 WeakPolarHBondContact O-CG2 3.43Å; E386-V390 PolarHBondContact O-N 2.84Å; R387-V390 PolarHBondContact O-N 2.93Å; E388-V390 PolarHBondContact O-N 2.98Å; V390-S393 PolarHBondContact O-N 3.42Å; V390-S393 PolarHBondContact O-OG 2.95Å; V390-L394 HydrophobicContact CG1-CD1 4.4Å; V390-L394 PolarHBondContact O-N 3.49Å
391T80.8Confident77.5Confident76 Ų76104.9 Ų104.947%0.46654%0.543SS..Hα-helixtrans-65.2-38.5176.252.60000112.8R387 E388 L394 L395R387-T391 VanDerWaalsContact O-CG2 3.32Å; R387-T391 WeakPolarHBondContact O-CG2 3.33Å; R387-T391 PolarHBondContact O-N 3.24Å; R387-T391 PolarHBondContact O-OG1 2.89Å; R387-T391 VanDerWaalsContact O-OG1 3.09Å; E388-T391 VanDerWaalsContact CA-OG1 3.24Å; E388-T391 WeakPolarHBondContact CA-OG1 3.39Å; E388-T391 CarbonylContact O-C 3.56Å; E388-T391 PolarHBondContact O-N 3.39Å; E388-T391 PolarHBondContact O-OG1 3.32Å; T391-L394 PolarHBondContact O-N 3.35Å; T391-L395 VanDerWaalsContact O-CB 3.3Å; T391-L395 WeakPolarHBondContact O-CB 3.21Å; T391-L395 PolarHBondContact O-N 3.42Å
392L87.2Confident78.4Confident107 Ų107104.3 Ų104.356%0.5653%0.531SS*.Hα-helixtrans-66.4-41.4176.2-73.6175.4000111E388 A389 L394 L395 E396E388-L392 WeakPolarHBondContact O-CB 3.45Å; E388-L392 VanDerWaalsContact O-CG 3.3Å; E388-L392 WeakPolarHBondContact O-CG 3.3Å; E388-L392 PolarHBondContact O-N 3.48Å; A389-L392 PolarHBondContact O-N 3.26Å; L392-L394 VanDerWaalsContact C-N 3.34Å; L392-L394 PolarHBondContact O-N 3Å; L392-L395 CarbonylContact O-C 3.56Å; L392-L395 WeakPolarHBondContact O-CB 3.47Å; L392-L395 PolarHBondContact O-N 2.97Å; L392-L395 VanDerWaalsContact O-N 3.13Å; L392-E396 PolarHBondContact O-N 3.39Å
393S87.2Confident79.4Confident49 Ų49109 Ų10934%0.34354%0.544SS..Hα-helixtrans-65-36.417574.30000112.8A389 V390 L395 R397A389-S393 PolarHBondContact O-N 3.29Å; A389-S393 PolarHBondContact O-OG 3.22Å; V390-S393 PolarHBondContact O-N 3.42Å; V390-S393 PolarHBondContact O-OG 2.95Å; S393-L395 VanDerWaalsContact C-N 3.32Å; S393-R397 WeakPolarHBondContact O-CG 3.4Å; S393-R397 PolarHBondContact O-N 2.99Å
394L86.3Confident80.2Confident111 Ų111103 Ų10358%0.58153%0.528SS*.Hα-helixtrans-65.4-38.9172.1-117.8102.8000111.1V390 T391 L392 R397 F398V390-L394 HydrophobicContact CG1-CD1 4.4Å; V390-L394 PolarHBondContact O-N 3.49Å; T391-L394 PolarHBondContact O-N 3.35Å; L392-L394 VanDerWaalsContact C-N 3.34Å; L392-L394 PolarHBondContact O-N 3Å; L394-R397 PolarHBondContact O-N 2.92Å; L394-F398 WeakPolarHBondContact O-CB 3.37Å; L394-F398 PolarHBondContact O-N 2.85Å
395L87.6Confident80.6Confident117 Ų117101.9 Ų101.961%0.61351%0.509SS*.Hα-helixtrans-71.2-37.2179.7-160.2139.1000111.8T391 L392 S393 F398 G399T391-L395 VanDerWaalsContact O-CB 3.3Å; T391-L395 WeakPolarHBondContact O-CB 3.21Å; T391-L395 PolarHBondContact O-N 3.42Å; L392-L395 CarbonylContact O-C 3.56Å; L392-L395 WeakPolarHBondContact O-CB 3.47Å; L392-L395 PolarHBondContact O-N 2.97Å; L392-L395 VanDerWaalsContact O-N 3.13Å; S393-L395 VanDerWaalsContact C-N 3.32Å; L395-F398 PolarHBondContact O-N 2.86Å; L395-G399 PolarHBondContact O-N 3.47Å
396E86.7Confident80.5Confident133 Ų133103.3 Ų103.362%0.62151%0.509SS*.Hα-helixtrans-64.2-43.4170.4-79.9-173.8156.700111.8L392 F398 G399 N400L392-E396 PolarHBondContact O-N 3.39Å; E396-F398 VanDerWaalsContact C-N 3.32Å; E396-F398 PolarHBondContact O-N 2.89Å; E396-G399 PolarHBondContact O-N 2.92Å; E396-N400 WeakPolarHBondContact O-CB 3.49Å; E396-N400 PolarHBondContact O-N 3.45Å; E396-N400 PolarHBondContact O-ND2 3.41Å
397R87.6Confident80Confident190 Ų190100.4 Ų100.472%0.71751%0.513SS*.Hα-helixtrans-60.1-42.2173.8-76.3176.7177.9-175.40.6111.7S393 L394 R401S393-R397 WeakPolarHBondContact O-CG 3.4Å; S393-R397 PolarHBondContact O-N 2.99Å; L394-R397 PolarHBondContact O-N 2.92Å; R397-R401 PolarHBondContact O-N 2.99Å; R397-R401 VanDerWaalsContact O-N 3.1Å
398F83Confident79.4Confident111 Ų11195.9 Ų95.949%0.48751%0.507SS..Hα-helixtrans-66.9-45.1176.4-178.9-106.4000112L394 L395 E396 N400 R401 L402L394-F398 WeakPolarHBondContact O-CB 3.37Å; L394-F398 PolarHBondContact O-N 2.85Å; L395-F398 PolarHBondContact O-N 2.86Å; E396-F398 VanDerWaalsContact C-N 3.32Å; E396-F398 PolarHBondContact O-N 2.89Å; F398-N400 VanDerWaalsContact C-N 3.34Å; F398-N400 PolarHBondContact O-N 2.98Å; F398-R401 WeakPolarHBondContact O-CB 3.47Å; F398-R401 PolarHBondContact O-N 3.47Å; F398-R401 VanDerWaalsContact O-N 3.13Å; F398-L402 HydrophobicContact CD1-CD1 3.94Å; F398-L402 HydrophobicContact CD1-CG 4.44Å; F398-L402 HydrophobicContact CE1-CD1 3.34Å; F398-L402 HydrophobicContact CE1-CG 3.99Å; F398-L402 HydrophobicContact CE2-CG 4.43Å; F398-L402 HydrophobicContact CZ-CD1 3.73Å; F398-L402 HydrophobicContact CZ-CD2 4.24Å; F398-L402 HydrophobicContact CZ-CG 3.97Å; F398-L402 PolarHBondContact O-N 3.42Å
399G83.8Confident78.1Confident18 Ų1895.1 Ų95.119%0.18650%0.504CS..Hα-helixtrans-61.9-38.817700000113L395 E396 R401 L402 R403L395-G399 PolarHBondContact O-N 3.47Å; E396-G399 PolarHBondContact O-N 2.92Å; G399-R401 VanDerWaalsContact C-N 3.35Å; G399-L402 PolarHBondContact O-N 3.34Å; G399-R403 WeakPolarHBondContact O-CG 3.44Å; G399-R403 PolarHBondContact O-N 3.04Å
400N83.9Confident76.5Confident92 Ų92101.9 Ų101.949%0.49253%0.526SS..Hα-helixtrans-67.6-35.9174.3-70.1-13.6000112E396 F398 R403 S404E396-N400 WeakPolarHBondContact O-CB 3.49Å; E396-N400 PolarHBondContact O-N 3.45Å; E396-N400 PolarHBondContact O-ND2 3.41Å; F398-N400 VanDerWaalsContact C-N 3.34Å; F398-N400 PolarHBondContact O-N 2.98Å; N400-R403 PolarHBondContact OD1-NH2 3.49Å; N400-S404 PolarHBondContact O-N 3.4Å
401R82.4Confident74.6Confident156 Ų156103 Ų10359%0.58954%0.537SS*.Hα-helixtrans-66.2-45.9174.8-162.1169.8-175.1157.4-1.2111.6R397 F398 G399 R403 S404 V405R397-R401 PolarHBondContact O-N 2.99Å; R397-R401 VanDerWaalsContact O-N 3.1Å; F398-R401 WeakPolarHBondContact O-CB 3.47Å; F398-R401 PolarHBondContact O-N 3.47Å; F398-R401 VanDerWaalsContact O-N 3.13Å; G399-R401 VanDerWaalsContact C-N 3.35Å; R401-R403 PolarHBondContact O-N 2.91Å; R401-S404 PolarHBondContact O-N 2.89Å; R401-S404 PolarHBondContact O-OG 3.15Å; R401-V405 WeakPolarHBondContact O-CG2 3.09Å; R401-V405 PolarHBondContact O-N 3.37Å; R401-V405 VanDerWaalsContact O-N 3.14Å
402L75.2Confident72.7Confident56 Ų56105.9 Ų105.929%0.29355%0.549SS..Hα-helixtrans-59.2-45.5174.5-77.2178.8000112.2F398 G399 S404 V405 I406 M425F398-L402 HydrophobicContact CD1-CD1 3.94Å; F398-L402 HydrophobicContact CD1-CG 4.44Å; F398-L402 HydrophobicContact CE1-CD1 3.34Å; F398-L402 HydrophobicContact CE1-CG 3.99Å; F398-L402 HydrophobicContact CE2-CG 4.43Å; F398-L402 HydrophobicContact CZ-CD1 3.73Å; F398-L402 HydrophobicContact CZ-CD2 4.24Å; F398-L402 HydrophobicContact CZ-CG 3.97Å; F398-L402 PolarHBondContact O-N 3.42Å; G399-L402 PolarHBondContact O-N 3.34Å; L402-S404 VanDerWaalsContact C-N 3.32Å; L402-S404 PolarHBondContact O-N 3.35Å; L402-V405 PolarHBondContact O-N 3.05Å; L402-I406 WeakPolarHBondContact O-CG1 3.34Å; L402-I406 PolarHBondContact O-N 3.42Å; L402-M425 HydrophobicContact CD2-SD 4.48Å
403R77.6Confident70.4Confident164 Ų164110.5 Ų110.562%0.61957%0.568SS**Hα-helixtrans-62.8-36.2176.7-77.7-174.2-77.4-111.22.6112.9G399 N400 R401 V405 G407G399-R403 WeakPolarHBondContact O-CG 3.44Å; G399-R403 PolarHBondContact O-N 3.04Å; N400-R403 PolarHBondContact OD1-NH2 3.49Å; R401-R403 PolarHBondContact O-N 2.91Å; R403-V405 VanDerWaalsContact C-N 3.33Å; R403-G407 PolarHBondContact O-N 3.25Å
404S76.3Confident68.3Low76 Ų76116.2 Ų116.253%0.53159%0.589SS.*Hα-helixtrans-67.4-33.8176.478.60000112.9N400 R401 L402N400-S404 PolarHBondContact O-N 3.4Å; R401-S404 PolarHBondContact O-N 2.89Å; R401-S404 PolarHBondContact O-OG 3.15Å; L402-S404 VanDerWaalsContact C-N 3.32Å; L402-S404 PolarHBondContact O-N 3.35Å
405V70.2Confident66.2Low35 Ų35120.1 Ų120.121%0.21261%0.609CS.*Hα-helixtrans-73.7-50.8178.3174.90000109.9R401 L402 R403 G407 S408 K426R401-V405 WeakPolarHBondContact O-CG2 3.09Å; R401-V405 PolarHBondContact O-N 3.37Å; R401-V405 VanDerWaalsContact O-N 3.14Å; L402-V405 PolarHBondContact O-N 3.05Å; R403-V405 VanDerWaalsContact C-N 3.33Å; V405-G407 VanDerWaalsContact C-N 3.34Å; V405-G407 PolarHBondContact O-N 3.03Å; V405-S408 PolarHBondContact O-N 3.11Å; V405-S408 PolarHBondContact O-OG 3.25Å; V405-K426 HydrophobicContact CG1-CG 4.2Å
406I67.7Low64Low119 Ų119117.7 Ų117.761%0.6161%0.613SS**Hα-helixtrans-65.3-36.3-178.7-63.2167.8000111.6L402 S408L402-I406 WeakPolarHBondContact O-CG1 3.34Å; L402-I406 PolarHBondContact O-N 3.42Å; I406-S408 VanDerWaalsContact C-N 3.27Å; I406-S408 PolarHBondContact O-N 2.94Å
407G61.8Low62.1Low65 Ų65121.4 Ų121.467%0.6763%0.627SS**THydrogen-bonded Turntrans-74.5-10.2-178.300000115.2R403 V405R403-G407 PolarHBondContact O-N 3.25Å; V405-G407 VanDerWaalsContact C-N 3.34Å; V405-G407 PolarHBondContact O-N 3.03Å
408S59.6Low59.9Low79 Ų79121.3 Ų121.355%0.55263%0.632SS**THydrogen-bonded Turntrans-90.2-8.6-17768.70000114.5V405 I406V405-S408 PolarHBondContact O-N 3.11Å; V405-S408 PolarHBondContact O-OG 3.25Å; I406-S408 VanDerWaalsContact C-N 3.27Å; I406-S408 PolarHBondContact O-N 2.94Å
409E50.6Low58.4Low118 Ų118119.1 Ų119.155%0.55163%0.631SS**THydrogen-bonded Turntrans-90.5-5-166.6-83.6-179.6158.300116.2S411E409-S411 VanDerWaalsContact C-N 3.31Å; E409-S411 PolarHBondContact O-N 2.89Å
410E48.6Very low57.2Low200 Ų200123.5 Ų123.594%0.93566%0.656SS**THydrogen-bonded Turntrans-79.6-2.9-178.9-74.5-170.6168.500114.9
411S43Very low55.9Low92 Ų92126.5 Ų126.564%0.64367%0.669SS**SBendtrans-136.58.5-167.975.40000119.1E409E409-S411 VanDerWaalsContact C-N 3.31Å; E409-S411 PolarHBondContact O-N 2.89Å
412N39.9Very low54.7Low136 Ų136123 Ų12373%0.72766%0.661SS**  trans-151.792.5174.9-89-34.5000113.3E414N412-E414 PolarHBondContact O-N 3.19Å; N412-E414 VanDerWaalsContact O-N 3.09Å
413E39.2Very low54Low203 Ų203122 Ų12295%0.94966%0.656SS**  trans-75.272.7158.2-71-177.6154.400109.6
414E43.6Very low53.5Low170 Ų170123.1 Ų123.179%0.79466%0.661SS**  trans-131.4117.6165.3-81.7-166.116300110.9N412 G416N412-E414 PolarHBondContact O-N 3.19Å; N412-E414 VanDerWaalsContact O-N 3.09Å; E414-G416 PolarHBondContact O-N 3.43Å
415L41Very low52.8Low192 Ų192122 Ų122100%1.00565%0.648SS**  trans-53.899.9177.2-75.6141.7000111.8
416G42Very low52.5Low67 Ų67125 Ų12569%0.69166%0.658SS**  trans-137.5105-179.400000114.1E414E414-G416 PolarHBondContact O-N 3.43Å
417K47.8Very low52.3Low210 Ų210125.7 Ų125.791%0.91366%0.663SS**  trans46.196.8160.2-70177.6-179.8172.50117.4S419K417-S419 PolarHBondContact O-N 2.63Å
418F41.3Very low52.5Low189 Ų189133.3 Ų133.383%0.82967%0.672SS**  trans-53.2118.7163.7-93.3-95000112.4D423F418-D423 WeakPolarHBondContact CD1-OD2 3.19Å
419S51.1Low52.5Low65 Ų65138 Ų13846%0.45569%0.689SS.*  trans-112111.9164.4-173.60000108.3K417 M421 D422K417-S419 PolarHBondContact O-N 2.63Å; S419-M421 PolarHBondContact O-N 3.46Å; S419-D422 PolarHBondContact O-N 2.86Å
420P58Low53.4Low109 Ų109137.8 Ų137.871%0.70870%0.696SS**THydrogen-bonded Turntrans-61.7-14.3-169.1-24.232.5000116.1
421M57.3Low53.9Low156 Ų156132.3 Ų132.377%0.76868%0.68SS**THydrogen-bonded Turntrans-91.8-19-171.1-122.464.8-17000114.4S419S419-M421 PolarHBondContact O-N 3.46Å
422D57.6Low55.2Low81 Ų81137.3 Ų137.343%0.43369%0.693SS.*THydrogen-bonded Turntrans-109.9-15.8-176.7-76.5-36.9000114S419 W424S419-D422 PolarHBondContact O-N 2.86Å; D422-W424 PolarHBondContact O-N 2.83Å
423D60.6Low56.5Low35 Ų35135.5 Ų135.519%0.18769%0.687CS.*G310 helixtrans-77.4-19.8-172-89.3-11.6000115.3F418 M425 K426F418-D423 WeakPolarHBondContact CD1-OD2 3.19Å; D423-M425 PolarHBondContact O-N 3.01Å; D423-M425 VanDerWaalsContact O-N 3.13Å; D423-K426 PolarHBondContact O-N 3.01Å; D423-K426 WeakPolarHBondContact OD1-CD 3.42Å; D423-K426 WeakPolarHBondContact OD1-CE 3.46Å; D423-K426 IonicContact OD1-NZ 3.69Å; D423-K426 PolarHBondContact OD1-NZ 3.35Å
424W66.5Low57.4Low188 Ų188131.7 Ų131.771%0.71268%0.68SS**G310 helixtrans-64.5-21.1178.676.4-82.1000112.7D422 K426D422-W424 PolarHBondContact O-N 2.83Å; W424-K426 VanDerWaalsContact C-N 3.3Å
425M60.7Low58Low53 Ų53128.5 Ų128.526%0.26167%0.672SS.*G310 helixtrans-78.3-10.4174.1-69.1-172.5-74.600113.7L402 D423L402-M425 HydrophobicContact CD2-SD 4.48Å; D423-M425 PolarHBondContact O-N 3.01Å; D423-M425 VanDerWaalsContact O-N 3.13Å
426K64.5Low58.8Low97 Ų97125.1 Ų125.142%0.42266%0.661SS.*THydrogen-bonded Turntrans-99.1-12.8-178.7-57.8-177-169157.60114V405 D423 W424 R428V405-K426 HydrophobicContact CG1-CG 4.2Å; D423-K426 PolarHBondContact O-N 3.01Å; D423-K426 WeakPolarHBondContact OD1-CD 3.42Å; D423-K426 WeakPolarHBondContact OD1-CE 3.46Å; D423-K426 IonicContact OD1-NZ 3.69Å; D423-K426 PolarHBondContact OD1-NZ 3.35Å; W424-K426 VanDerWaalsContact C-N 3.3Å; K426-R428 PolarHBondContact O-N 3.32Å
427N64.2Low59.4Low135 Ų135126.3 Ų126.372%0.72267%0.665SS**  trans-72.5114.1-173.3-70.3-14.9000112
428R65.6Low59.7Low225 Ų225127.4 Ų127.485%0.84966%0.663SS**  trans-86.9123170.5-168.3-179.4-166.4-151.24.3110.1K426 V430K426-R428 PolarHBondContact O-N 3.32Å; R428-V430 PolarHBondContact O-N 2.77Å
429L60.4Low60.5Low176 Ų176127.3 Ų127.392%0.92166%0.663SS**  trans-74.8115174.9-135.7122.8000109.4
430V68Low60.8Low115 Ų115130.9 Ų130.970%0.69768%0.681SS**  trans-113.6120.2175.3-176.90000108.2R428R428-V430 PolarHBondContact O-N 2.77Å
431S60.4Low60.6Low85 Ų85131.5 Ų131.559%0.59468%0.678SS**  trans-90.9128.8172.258.60000110.1V433S431-V433 PolarHBondContact O-N 2.9Å
432E69.6Low60.8Low197 Ų197128.5 Ų128.592%0.92167%0.665SS**SBendtrans-68.1-16.9-179-64.1-176.6171.800114
433V66.5Low61Low98 Ų98129.7 Ų129.759%0.59468%0.677SS**SBendtrans-110.4124.1-179.2-173.40000109.5S431 T435S431-V433 PolarHBondContact O-N 2.9Å; V433-T435 HydrophobicContact CG1-CG2 4.46Å; V433-T435 PolarHBondContact O-N 2.8Å
434P58.7Low61.7Low123 Ų123133.1 Ų133.180%0.79970%0.699SS**  trans-72.778.7173.930.5-31.8000109
435T56.8Low61.7Low102 Ų102130.3 Ų130.363%0.62670%0.696SS**  trans-75.1131.116240.60000107.2V433 A437V433-T435 HydrophobicContact CG1-CG2 4.46Å; V433-T435 PolarHBondContact O-N 2.8Å; T435-A437 PolarHBondContact O-N 2.85Å
436P57.7Low62Low121 Ų121133.4 Ų133.479%0.78672%0.72SS**  trans-55121.7173.923.1-31.5000106.6R438P436-R438 PolarHBondContact O-N 2.79Å
437A53.5Low61.9Low93 Ų93133.2 Ų133.277%0.76972%0.72SS**  trans-48103.1-17800000108.3T435 K439T435-A437 PolarHBondContact O-N 2.85Å; A437-K439 VanDerWaalsContact C-N 3.25Å; A437-K439 PolarHBondContact O-N 2.87Å
438R55Low62.4Low233 Ų233132.3 Ų132.388%0.87972%0.722SS**  trans-58.8102.6167.1-102179.3160.8171.5-6103.5P436 V440P436-R438 PolarHBondContact O-N 2.79Å; R438-V440 PolarHBondContact O-N 3.16Å
439K56.9Low62.6Low187 Ų187127.2 Ų127.281%0.81371%0.712SS**  trans-45.4117.4170.9-74.5178.91781780105.2A437 L441A437-K439 VanDerWaalsContact C-N 3.25Å; A437-K439 PolarHBondContact O-N 2.87Å; K439-L441 PolarHBondContact O-N 3.14Å
440V57.2Low62.8Low140 Ų140126.1 Ų126.185%0.84870%0.695SS**  trans-46.8108.9175.5174.30000105.8R438 D442R438-V440 PolarHBondContact O-N 3.16Å; V440-D442 PolarHBondContact O-N 3.41Å
441L55.8Low62.7Low122 Ų122130.6 Ų130.664%0.63970%0.701SS**  trans-64.5128.7-179.3-89118.8000107.1K439 P443K439-L441 PolarHBondContact O-N 3.14Å; L441-P443 WeakPolarHBondContact O-CD 3.14Å
442D60.1Low63Low92 Ų92131.7 Ų131.749%0.49270%0.7SS.*  trans-53.2119.7178.9-167.8-26.9000109.3V440 T444 M445V440-D442 PolarHBondContact O-N 3.41Å; D442-T444 PolarHBondContact O-N 3.21Å; D442-T444 WeakPolarHBondContact OD1-CB 3.31Å; D442-T444 PolarHBondContact OD1-N 3.13Å; D442-T444 PolarHBondContact OD1-OG1 2.88Å; D442-T444 PolarHBondContact OD2-OG1 3.48Å; D442-M445 HydrophobicContact CB-CG 4.18Å; D442-M445 PolarHBondContact O-N 3.09Å
443P63.2Low62.8Low106 Ų106130.4 Ų130.469%0.68870%0.699SS**THydrogen-bonded Turntrans-62.9-7.7-177.723.1-32.1000113.7L441L441-P443 WeakPolarHBondContact O-CD 3.14Å
444T73.3Confident62.3Low107 Ų107131.1 Ų131.166%0.65669%0.692SS**THydrogen-bonded Turntrans-82.4-14.817462.80000113.9D442D442-T444 PolarHBondContact O-N 3.21Å; D442-T444 WeakPolarHBondContact OD1-CB 3.31Å; D442-T444 PolarHBondContact OD1-N 3.13Å; D442-T444 PolarHBondContact OD1-OG1 2.88Å; D442-T444 PolarHBondContact OD2-OG1 3.48Å
445M66.6Low63Low129 Ų129128.9 Ų128.964%0.63567%0.673SS**SBendtrans-85.7129.7-179.4-65.4-69.6-89.800111.3D442 H447D442-M445 HydrophobicContact CB-CG 4.18Å; D442-M445 PolarHBondContact O-N 3.09Å; M445-H447 PolarHBondContact O-N 2.72Å; M445-H447 VanDerWaalsContact O-N 3.15Å
446P67.1Low63.5Low119 Ų119128.8 Ų128.877%0.77367%0.674SS**  trans-67.8111.2177.725.3-30.6000110.6
447H64.2Low64Low92 Ų92133.5 Ų133.543%0.42668%0.676SS.*  trans-80.5139.4175.7-158-85.7000110.1M445 D449 R450M445-H447 PolarHBondContact O-N 2.72Å; M445-H447 VanDerWaalsContact O-N 3.15Å; H447-D449 IonicContact CE1-OD2 2.67Å; H447-D449 PolarHBondContact CE1-OD2 3.06Å; H447-D449 VanDerWaalsContact CE1-OD2 3.28Å; H447-D449 WeakPolarHBondContact ND1-CB 3.38Å; H447-D449 PolarHBondContact ND1-N 3.31Å; H447-D449 IonicContact ND1-OD2 3.26Å; H447-D449 PolarHBondContact O-N 2.92Å; H447-D449 VanDerWaalsContact O-N 3.15Å; H447-R450 HydrophobicContact CB-CB 4.2Å; H447-R450 WeakPolarHBondContact O-CB 3.23Å; H447-R450 PolarHBondContact O-N 2.91Å
448P73Confident64.8Low117 Ų117132 Ų13276%0.7666%0.655SS**THydrogen-bonded Turntrans-59.5-24.4176.322.4-32.5000113.5
449D70.3Confident65.4Low118 Ų118125.6 Ų125.663%0.63164%0.644SS**THydrogen-bonded Turntrans-93.74.7177.1-55.2-34.1000114.6H447 Y451H447-D449 IonicContact CE1-OD2 2.67Å; H447-D449 PolarHBondContact CE1-OD2 3.06Å; H447-D449 VanDerWaalsContact CE1-OD2 3.28Å; H447-D449 WeakPolarHBondContact ND1-CB 3.38Å; H447-D449 PolarHBondContact ND1-N 3.31Å; H447-D449 IonicContact ND1-OD2 3.26Å; H447-D449 PolarHBondContact O-N 2.92Å; H447-D449 VanDerWaalsContact O-N 3.15Å; D449-Y451 PolarHBondContact O-N 3.45Å; D449-Y451 VanDerWaalsContact O-N 3.13Å
450R65.6Low65.8Low153 Ų153122.8 Ų122.858%0.57764%0.637SS**  trans-79.698.2177.3-177177.7175.4152.51.2110H447 D452H447-R450 HydrophobicContact CB-CB 4.2Å; H447-R450 WeakPolarHBondContact O-CB 3.23Å; H447-R450 PolarHBondContact O-N 2.91Å; R450-D452 IonicContact CZ-OD1 3.6Å; R450-D452 IonicContact NE-OD1 2.84Å; R450-D452 PolarHBondContact NE-OD1 2.96Å; R450-D452 IonicContact NH2-OD1 3.42Å; R450-D452 PolarHBondContact NH2-OD1 3Å
451Y65.2Low65.9Low208 Ų208117.8 Ų117.882%0.81661%0.606SS**  trans-87.2106.8165.2-68.4-86.8000109.6D449 L453D449-Y451 PolarHBondContact O-N 3.45Å; D449-Y451 VanDerWaalsContact O-N 3.13Å; Y451-L453 PolarHBondContact O-N 3.29Å; Y451-L453 VanDerWaalsContact O-N 3.14Å
452D66.1Low66Low109 Ų109116.3 Ų116.358%0.58360%0.601SS**  trans-71.7103.8168-78.9-15.4000108.2R450 Y454R450-D452 IonicContact CZ-OD1 3.6Å; R450-D452 IonicContact NE-OD1 2.84Å; R450-D452 PolarHBondContact NE-OD1 2.96Å; R450-D452 IonicContact NH2-OD1 3.42Å; R450-D452 PolarHBondContact NH2-OD1 3Å; D452-Y454 PolarHBondContact O-N 2.94Å
453L65Low65.9Low170 Ų170122.8 Ų122.889%0.8962%0.619SS**  trans-68.197.7175.1-165.673.5000109.2Y451 D455Y451-L453 PolarHBondContact O-N 3.29Å; Y451-L453 VanDerWaalsContact O-N 3.14Å; L453-D455 PolarHBondContact O-N 3.23Å; L453-D455 VanDerWaalsContact O-N 3.12Å
454Y56.7Low65.7Low112 Ų112126.3 Ų126.344%0.43962%0.623SS.*  trans-81.588.5-177.8-134.8-76.2000110D452 P456 N461D452-Y454 PolarHBondContact O-N 2.94Å; Y454-P456 WeakPolarHBondContact O-CD 3.01Å; Y454-N461 HydrophobicContact CE1-CB 4.1Å
455D73.1Confident64.7Low76 Ų76129 Ų12941%0.40662%0.621SS.*  trans-73.5113.9170-173.8-6.6000109.4L453 R457 N458 N461L453-D455 PolarHBondContact O-N 3.23Å; L453-D455 VanDerWaalsContact O-N 3.12Å; D455-R457 PolarHBondContact O-N 3.12Å; D455-R457 WeakPolarHBondContact OD1-CB 3.29Å; D455-R457 PolarHBondContact OD1-N 3.29Å; D455-N458 HydrophobicContact CB-CB 4.31Å; D455-N458 PolarHBondContact O-N 3.34Å; D455-N461 PolarHBondContact O-ND2 3.48Å; D455-N461 VanDerWaalsContact O-ND2 3.08Å
456P67.3Low63.9Low100 Ų100125 Ų12565%0.64961%0.614SS**THydrogen-bonded Turntrans-67.5-14.9177.928.9-35.1000113.1Y454Y454-P456 WeakPolarHBondContact O-CD 3.01Å
457R69Low63.2Low221 Ų221122.4 Ų122.483%0.83461%0.608SS**THydrogen-bonded Turntrans-90.3-10.6-178.7-58.3178.9-173.91763113.4D455 P459D455-R457 PolarHBondContact O-N 3.12Å; D455-R457 WeakPolarHBondContact OD1-CB 3.29Å; D455-R457 PolarHBondContact OD1-N 3.29Å; R457-P459 VanDerWaalsContact O-CD 3.31Å; R457-P459 WeakPolarHBondContact O-CD 3.5Å
458N70.4Confident62.6Low60 Ų60123.7 Ų123.732%0.32162%0.619SS.*  trans-77.1116.1-179.1-171.9-6.1000110.9D455 L460 N461D455-N458 HydrophobicContact CB-CB 4.31Å; D455-N458 PolarHBondContact O-N 3.34Å; N458-L460 PolarHBondContact O-N 2.83Å; N458-L460 VanDerWaalsContact O-N 3.12Å; N458-L460 PolarHBondContact OD1-N 3.2Å; N458-N461 WeakPolarHBondContact O-CB 3.43Å; N458-N461 PolarHBondContact O-N 2.85Å
459P67.8Low61.8Low100 Ų100123 Ų12365%0.64961%0.612SS**Hα-helixtrans-61.5-22-178.223.8-33.9000113.9R457 N461 V462R457-P459 VanDerWaalsContact O-CD 3.31Å; R457-P459 WeakPolarHBondContact O-CD 3.5Å; P459-N461 VanDerWaalsContact C-N 3.29Å; P459-N461 PolarHBondContact O-N 2.96Å; P459-V462 PolarHBondContact O-N 2.66Å
460L64Low60.9Low127 Ų127125.2 Ų125.267%0.66562%0.618SS**Hα-helixtrans-64.9-31.6172.5-88.9150.4000112.8N458 V462N458-L460 PolarHBondContact O-N 2.83Å; N458-L460 VanDerWaalsContact O-N 3.12Å; N458-L460 PolarHBondContact OD1-N 3.2Å; L460-V462 VanDerWaalsContact C-N 3.33Å
461N60.7Low60.3Low36 Ų36121 Ų12119%0.19361%0.612CS.*Hα-helixtrans-77.8-19.6-179.7-70.7-17.3000112.6Y454 D455 N458 P459 K464 R465Y454-N461 HydrophobicContact CE1-CB 4.1Å; D455-N461 PolarHBondContact O-ND2 3.48Å; D455-N461 VanDerWaalsContact O-ND2 3.08Å; N458-N461 WeakPolarHBondContact O-CB 3.43Å; N458-N461 PolarHBondContact O-N 2.85Å; P459-N461 VanDerWaalsContact C-N 3.29Å; P459-N461 PolarHBondContact O-N 2.96Å; N461-K464 PolarHBondContact O-N 3.09Å; N461-R465 PolarHBondContact O-N 2.87Å
462V58Low59.7Low90 Ų90115.3 Ų115.355%0.54560%0.599SS.*Hα-helixtrans-68.9-37.6176-177.90000110.9P459 L460 K464 R465P459-V462 PolarHBondContact O-N 2.66Å; L460-V462 VanDerWaalsContact C-N 3.33Å; V462-K464 VanDerWaalsContact C-N 3.33Å; V462-K464 PolarHBondContact O-N 2.82Å; V462-R465 PolarHBondContact O-N 2.91Å
463R57.2Low59.1Low229 Ų229114.5 Ų114.586%0.86460%0.598SS**Hα-helixtrans-67.2-30.1175.7-80.1-176.9174.7170.4-0.4113.7R465R463-R465 VanDerWaalsContact C-N 3.34Å
464K60.1Low58.4Low179 Ų179113.4 Ų113.478%0.77859%0.589SS**Hα-helixtrans-76.8-19.4177.3-111.8-176.7176.8-1750113.2N461 V462 G466N461-K464 PolarHBondContact O-N 3.09Å; V462-K464 VanDerWaalsContact C-N 3.33Å; V462-K464 PolarHBondContact O-N 2.82Å; K464-G466 VanDerWaalsContact C-N 3.28Å; K464-G466 PolarHBondContact O-N 2.77Å
465R52.3Low58.3Low163 Ų163116.4 Ų116.462%0.61560%0.604SS**THydrogen-bonded Turntrans-818-176.9-81.9-170.2-175.6-1481.5115.3N461 V462 R463 G467N461-R465 PolarHBondContact O-N 2.87Å; V462-R465 PolarHBondContact O-N 2.91Å; R463-R465 VanDerWaalsContact C-N 3.34Å; R465-G467 PolarHBondContact O-N 3.42Å
466G49.7Very low57.4Low46 Ų46121.2 Ų121.247%0.47462%0.621SS.*THydrogen-bonded Turntrans57.812.5175.100000115.1K464 D468 V469K464-G466 VanDerWaalsContact C-N 3.28Å; K464-G466 PolarHBondContact O-N 2.77Å; G466-D468 PolarHBondContact O-N 2.81Å; G466-V469 PolarHBondContact O-N 3.12Å
467G51.8Low56.9Low64 Ų64120.8 Ų120.866%0.6662%0.621SS**THydrogen-bonded Turntrans-71-5.2-165.800000115.7R465R465-G467 PolarHBondContact O-N 3.42Å
468D52.3Low56.2Low120 Ų120121.2 Ų121.264%0.64262%0.622SS**THydrogen-bonded Turntrans-114.36.4179.4-74.8-36000113.7G466 V472G466-D468 PolarHBondContact O-N 2.81Å; D468-V472 WeakPolarHBondContact O-CG2 3.42Å
469V54.5Low55.3Low101 Ų101129.2 Ų129.261%0.61265%0.648SS**Hα-helixtrans-79.8-32.3-178.9-175.70000112G466 T473G466-V469 PolarHBondContact O-N 3.12Å; V469-T473 PolarHBondContact O-OG1 3.44Å
470E51.6Low54.5Low165 Ų165134.2 Ų134.277%0.77168%0.676SS**Hα-helixtrans-76.4-29.1-179-72.5-178.5159.300113.6V472 T473E470-V472 PolarHBondContact O-N 3.33Å; E470-T473 PolarHBondContact O-OG1 2.91Å; E470-T473 VanDerWaalsContact O-OG1 3.05Å
471S53.4Low54Low65 Ų65134.6 Ų134.646%0.45568%0.677SS.*Hα-helixtrans-78.4-18.6-179.170.20000113.7
472V53Low53.6Low89 Ų89139.8 Ų139.854%0.53970%0.702SS.*Hα-helixtrans-88.3-28.5178.6179.70000111.6D468 E470D468-V472 WeakPolarHBondContact O-CG2 3.42Å; E470-V472 PolarHBondContact O-N 3.33Å
473T52.5Low53.4Low92 Ų92142.6 Ų142.656%0.56471%0.711SS**Hα-helixtrans-73.8-35.2176.1450000112.6V469 E470 K476V469-T473 PolarHBondContact O-OG1 3.44Å; E470-T473 PolarHBondContact O-OG1 2.91Å; E470-T473 VanDerWaalsContact O-OG1 3.05Å; T473-K476 PolarHBondContact O-N 3.19Å
474E51.7Low53.2Low146 Ų146137.5 Ų137.568%0.68270%0.702SS**Hα-helixtrans-74.1-25176.4-81.5-171.1147.500114.2K476 S477E474-K476 VanDerWaalsContact C-N 3.34Å; E474-S477 PolarHBondContact O-OG 3.25Å
475K54Low52.7Low176 Ų176134.9 Ų134.977%0.76570%0.697SS**Hα-helixtrans-77.9-17.7176.5-94.1175.2178.1168.30113.8
476K54.4Low52.8Low176 Ų176133 Ų13377%0.76570%0.703SS**Hα-helixtrans-87.5-21.8175.8-94-179.2174.3178.70113.8T473 E474T473-K476 PolarHBondContact O-N 3.19Å; E474-K476 VanDerWaalsContact C-N 3.34Å
477S55.5Low53Low91 Ų91139.2 Ų139.264%0.63672%0.719SS**THydrogen-bonded Turntrans-84.3-9.2178.455.20000114.4E474E474-S477 PolarHBondContact O-OG 3.25Å
478R56Low53.1Low231 Ų231145 Ų14587%0.87272%0.724SS**THydrogen-bonded Turntrans-96.310.7177.1-92.9-178.7168.2166.9-1.5115.2
479R51.6Low53.1Low228 Ų228147.1 Ų147.186%0.8673%0.73SS**  trans-124.869.4172.1-78.8-173.9179.2179-0.3110.1
480V49.5Very low53Low205 Ų205151.3 Ų151.3100%1.24274%0.741SS**  trans-140.80153.8179.40000106.9

Retrieved 480 of 480 residues in 582.8 ms (Link to these results)

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