A0A077ZJH7_TRITR Loading...

FMN dh domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJH7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 361 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.9Low88Confident123 Ų12380.9 Ų80.961%0.60646%0.464SS*.  0136.90-79.8-175.8-96.700106.7V93 L185M1-V93 HydrophobicContact CB-CG1 3.36Å; M1-V93 WeakPolarHBondContact O-CG1 3.42Å; M1-L185 HydrophobicContact CE-CD2 4.11Å
2D61.3Low88.7Confident67 Ų6776.8 Ų76.836%0.35844%0.44SS..  trans-72.1143.5-169.3-154.6-28000111.5A4 V93D2-A4 VanDerWaalsContact C-N 3.31Å; D2-A4 HydrophobicContact CB-CB 4.46Å; D2-A4 PolarHBondContact OD1-N 3.24Å; D2-V93 WeakPolarHBondContact O-CG2 3.45Å; D2-V93 PolarHBondContact O-N 2.93Å
3T78.6Confident89.4Confident111 Ų11170.9 Ų70.968%0.68141%0.406SS*.  trans-96.916.4172.555.20000111.3E5 V93T3-E5 PolarHBondContact O-N 2.61Å; T3-V93 HydrophobicContact CG2-CG2 3.7Å
4A88Confident89.7Confident18 Ų1871.7 Ų71.715%0.14940%0.403CS..  trans-47.1123.2-176.200000111.3D2 N92 L318 G319 G320D2-A4 VanDerWaalsContact C-N 3.31Å; D2-A4 HydrophobicContact CB-CB 4.46Å; D2-A4 PolarHBondContact OD1-N 3.24Å; A4-N92 PolarHBondContact O-ND2 3.38Å; A4-L318 WeakPolarHBondContact CB-O 3.3Å; A4-G319 CarbonylContact O-C 3.45Å; A4-G320 WeakPolarHBondContact O-CA 3.37Å; A4-G320 PolarHBondContact O-N 3.18Å
5E97.3Very high90.2Very high98 Ų9871.2 Ų71.246%0.45840%0.399SS..  trans-148.1113.5174.1-178.964.2-138.800106.9T3 G319 S321 T322T3-E5 PolarHBondContact O-N 2.61Å; E5-G319 WeakPolarHBondContact CA-O 3.38Å; E5-S321 VanDerWaalsContact CD-OG 3.28Å; E5-S321 PolarHBondContact OE1-OG 3.24Å; E5-S321 PolarHBondContact OE2-N 3.2Å; E5-S321 PolarHBondContact OE2-OG 3.04Å; E5-T322 PolarHBondContact OE1-N 3.04Å; E5-T322 VanDerWaalsContact OE1-N 3.12Å; E5-T322 PolarHBondContact OE1-OG1 3.3Å
6G97.3Very high90.6Very high27 Ų2766.9 Ų66.928%0.27837%0.374SS..SBendtrans158.5173.3-175.700000112.5G319 T322G6-G319 PolarHBondContact N-O 2.87Å; G6-G319 VanDerWaalsContact N-O 3.13Å; G6-G319 WeakPolarHBondContact O-CA 3.41Å; G6-T322 WeakPolarHBondContact O-CB 3.29Å; G6-T322 WeakPolarHBondContact O-CG2 3.04Å
7A97.6Very high91Very high88 Ų8864.8 Ų64.873%0.72736%0.361SS*.  trans-67.3138177.400000110.7
8I97.7Very high91.4Very high25 Ų2566.7 Ų66.713%0.12837%0.367CS..  trans-114151.4174.257.3172.1000109.7F10 L16 L318 Q326I8-F10 HydrophobicContact CD1-CD1 3.98Å; I8-F10 HydrophobicContact CD1-CE1 3.91Å; I8-F10 HydrophobicContact CG1-CD1 3.92Å; I8-F10 HydrophobicContact CG1-CE1 3.9Å; I8-L16 HydrophobicContact CD1-CD2 3.66Å; I8-L318 HydrophobicContact CD1-CB 4.21Å; I8-L318 VanDerWaalsContact CG2-C 3.47Å; I8-L318 HydrophobicContact CG2-CB 3.73Å; I8-L318 VanDerWaalsContact CG2-O 3.28Å; I8-L318 WeakPolarHBondContact CG2-O 3.37Å; I8-Q326 VanDerWaalsContact CG1-OE1 3.24Å; I8-Q326 PolarHBondContact O-NE2 2.84Å
9D95.7Very high91.7Very high163 Ų16365.4 Ų65.487%0.87237%0.365SS*.  trans-112.2127.5176.9-171.722.7000109.6
10F97.6Very high91.9Very high33 Ų3362.1 Ų62.115%0.14535%0.347CS..  trans-160.3147.5-179.863.1-81.6000109.8I8 M13 D15 L16 Q326 V327 F330I8-F10 HydrophobicContact CD1-CD1 3.98Å; I8-F10 HydrophobicContact CD1-CE1 3.91Å; I8-F10 HydrophobicContact CG1-CD1 3.92Å; I8-F10 HydrophobicContact CG1-CE1 3.9Å; F10-M13 HydrophobicContact CE2-CE 3.92Å; F10-D15 HydrophobicContact CB-CB 4.22Å; F10-L16 HydrophobicContact CB-CD2 3.79Å; F10-L16 HydrophobicContact CB-CG 4.02Å; F10-L16 HydrophobicContact CD1-CD2 3.61Å; F10-L16 HydrophobicContact CD1-CG 4.24Å; F10-L16 HydrophobicContact CD2-CD1 3.86Å; F10-L16 HydrophobicContact CD2-CD2 4.06Å; F10-L16 HydrophobicContact CD2-CG 3.76Å; F10-L16 HydrophobicContact CE1-CD1 4.48Å; F10-L16 HydrophobicContact CE1-CD2 4.15Å; F10-L16 HydrophobicContact CE2-CD1 3.83Å; F10-L16 HydrophobicContact CE2-CG 4.25Å; F10-L16 HydrophobicContact CG-CD1 4.21Å; F10-L16 HydrophobicContact CG-CD2 3.55Å; F10-L16 HydrophobicContact CG-CG 3.75Å; F10-L16 HydrophobicContact CZ-CD1 4.15Å; F10-Q326 HydrophobicContact CE1-CB 4.11Å; F10-Q326 HydrophobicContact CZ-CB 4.44Å; F10-V327 HydrophobicContact CZ-CG2 4.47Å; F10-F330 HydrophobicContact CD2-CD2 4.48Å; F10-F330 HydrophobicContact CE2-CB 3.98Å; F10-F330 AromaticContact CE2-CD2 3.8Å; F10-F330 HydrophobicContact CE2-CD2 3.8Å; F10-F330 AromaticContact CE2-CG 3.94Å; F10-F330 HydrophobicContact CE2-CG 3.94Å; F10-F330 HydrophobicContact CZ-CB 4.08Å
11I97.9Very high92.2Very high137 Ų13763.3 Ų63.370%0.70335%0.348SS*.SBendtrans-93.1-33179.4-60.4167.7000110.1D15 F330I11-D15 VanDerWaalsContact CA-OD2 3.31Å; I11-D15 WeakPolarHBondContact CA-OD2 3.45Å; I11-D15 WeakPolarHBondContact CB-OD2 3.39Å; I11-D15 PolarHBondContact N-OD2 2.98Å; I11-F330 WeakPolarHBondContact O-CE2 3.49Å
12N97Very high94Very high32 Ų3264.2 Ų64.217%0.17135%0.351CS..SBendtrans-156.3179.8177.764.265.5000111.7F14 D15 F330N12-F14 VanDerWaalsContact C-N 3.27Å; N12-F14 PolarHBondContact O-N 2.76Å; N12-F14 WeakPolarHBondContact OD1-CA 3.33Å; N12-F14 WeakPolarHBondContact OD1-CB 3.4Å; N12-F14 WeakPolarHBondContact OD1-CD2 3Å; N12-F14 PolarHBondContact OD1-N 2.96Å; N12-D15 PolarHBondContact N-OD2 3.34Å; N12-D15 PolarHBondContact O-N 3.12Å; N12-D15 PolarHBondContact OD1-N 3.44Å; N12-F330 HydrophobicContact CB-CZ 4.35Å
13M97Very high95.7Very high0 Ų063.7 Ų63.70%035%0.351CS..Hα-helixtrans-67.5-21.3-176.6-60.2-58.2146.500114.8F10 L16 E17 R290 P311 V327 F330 F331F10-M13 HydrophobicContact CE2-CE 3.92Å; M13-L16 HydrophobicContact CE-CD1 4.49Å; M13-L16 HydrophobicContact SD-CD1 3.66Å; M13-E17 PolarHBondContact O-N 3.39Å; M13-R290 HydrophobicContact CB-CB 4.46Å; M13-R290 WeakPolarHBondContact CG-O 3.27Å; M13-P311 HydrophobicContact CG-CB 4.21Å; M13-P311 HydrophobicContact CG-CG 4.34Å; M13-P311 HydrophobicContact SD-CB 3.52Å; M13-P311 VanDerWaalsContact SD-CB 3.52Å; M13-P311 HydrophobicContact SD-CG 4.27Å; M13-V327 HydrophobicContact CE-CG1 4.14Å; M13-V327 HydrophobicContact SD-CG1 4.16Å; M13-F330 HydrophobicContact CE-CB 3.85Å; M13-F330 HydrophobicContact CE-CD1 2.98Å; M13-F330 HydrophobicContact CE-CD2 4.34Å; M13-F330 HydrophobicContact CE-CE1 3.5Å; M13-F330 VanDerWaalsContact CE-CE1 3.5Å; M13-F330 HydrophobicContact CE-CG 3.46Å; M13-F330 VanDerWaalsContact CE-CG 3.46Å; M13-F330 HydrophobicContact CE-CZ 4.37Å; M13-F331 HydrophobicContact CE-CD2 4.04Å; M13-F331 HydrophobicContact CE-CE2 3.74Å; M13-F331 HydrophobicContact CE-CZ 4.27Å; M13-F331 HydrophobicContact CG-CE2 4.41Å; M13-F331 HydrophobicContact CG-CZ 4.18Å; M13-F331 HydrophobicContact SD-CE2 4.01Å; M13-F331 HydrophobicContact SD-CZ 4.36Å
14F94.4Very high96.6Very high82 Ų8258.8 Ų58.836%0.3632%0.32SS..Hα-helixtrans-74.1-35.6176.7-52.4-73.7000111.2N12 L16 E17 E18 E46N12-F14 VanDerWaalsContact C-N 3.27Å; N12-F14 PolarHBondContact O-N 2.76Å; N12-F14 WeakPolarHBondContact OD1-CA 3.33Å; N12-F14 WeakPolarHBondContact OD1-CB 3.4Å; N12-F14 WeakPolarHBondContact OD1-CD2 3Å; N12-F14 PolarHBondContact OD1-N 2.96Å; F14-L16 VanDerWaalsContact C-N 3.27Å; F14-L16 PolarHBondContact O-N 3.13Å; F14-E17 PolarHBondContact O-N 3.13Å; F14-E18 PolarHBondContact O-N 3.04Å; F14-E18 VanDerWaalsContact O-N 3.11Å; F14-E46 WeakPolarHBondContact CZ-OE1 3.49Å
15D97.3Very high97Very high64 Ų6461.5 Ų61.534%0.34234%0.336SS..Hα-helixtrans-62.4-39.6174.3-50.5-32.9000110.7F10 I11 N12 E17 E18 A19F10-D15 HydrophobicContact CB-CB 4.22Å; I11-D15 VanDerWaalsContact CA-OD2 3.31Å; I11-D15 WeakPolarHBondContact CA-OD2 3.45Å; I11-D15 WeakPolarHBondContact CB-OD2 3.39Å; I11-D15 PolarHBondContact N-OD2 2.98Å; N12-D15 PolarHBondContact N-OD2 3.34Å; N12-D15 PolarHBondContact O-N 3.12Å; N12-D15 PolarHBondContact OD1-N 3.44Å; D15-E17 VanDerWaalsContact C-N 3.35Å; D15-E17 PolarHBondContact O-N 2.93Å; D15-E18 PolarHBondContact O-N 2.79Å; D15-A19 VanDerWaalsContact O-CB 3.28Å; D15-A19 WeakPolarHBondContact O-CB 3.5Å; D15-A19 PolarHBondContact O-N 3.38Å
16L96.4Very high97Very high2 Ų264.6 Ų64.61%0.0135%0.348CS..Hα-helixtrans-62.3-41.1174.9-68.7178.4000112.2I8 F10 M13 F14 A20 L318 V327I8-L16 HydrophobicContact CD1-CD2 3.66Å; F10-L16 HydrophobicContact CB-CD2 3.79Å; F10-L16 HydrophobicContact CB-CG 4.02Å; F10-L16 HydrophobicContact CD1-CD2 3.61Å; F10-L16 HydrophobicContact CD1-CG 4.24Å; F10-L16 HydrophobicContact CD2-CD1 3.86Å; F10-L16 HydrophobicContact CD2-CD2 4.06Å; F10-L16 HydrophobicContact CD2-CG 3.76Å; F10-L16 HydrophobicContact CE1-CD1 4.48Å; F10-L16 HydrophobicContact CE1-CD2 4.15Å; F10-L16 HydrophobicContact CE2-CD1 3.83Å; F10-L16 HydrophobicContact CE2-CG 4.25Å; F10-L16 HydrophobicContact CG-CD1 4.21Å; F10-L16 HydrophobicContact CG-CD2 3.55Å; F10-L16 HydrophobicContact CG-CG 3.75Å; F10-L16 HydrophobicContact CZ-CD1 4.15Å; M13-L16 HydrophobicContact CE-CD1 4.49Å; M13-L16 HydrophobicContact SD-CD1 3.66Å; F14-L16 VanDerWaalsContact C-N 3.27Å; F14-L16 PolarHBondContact O-N 3.13Å; L16-A20 WeakPolarHBondContact O-CB 3.28Å; L16-A20 PolarHBondContact O-N 3.33Å; L16-L318 HydrophobicContact CD2-CD1 3.75Å; L16-V327 HydrophobicContact CD1-CG2 3.64Å
17E97.1Very high97Very high31 Ų3164.4 Ų64.415%0.14535%0.346CS..Hα-helixtrans-65.7-41.9-179.8-178.4156.7-143.600112.2M13 F14 D15 K21 Y29 Y314M13-E17 PolarHBondContact O-N 3.39Å; F14-E17 PolarHBondContact O-N 3.13Å; D15-E17 VanDerWaalsContact C-N 3.35Å; D15-E17 PolarHBondContact O-N 2.93Å; E17-K21 PolarHBondContact O-N 2.96Å; E17-Y29 PolarHBondContact O-OH 3.07Å; E17-Y314 HydrophobicContact CB-CD2 3.77Å; E17-Y314 HydrophobicContact CB-CE2 3.52Å; E17-Y314 HydrophobicContact CG-CD2 4.31Å; E17-Y314 HydrophobicContact CG-CE2 3.6Å; E17-Y314 PolarHBondContact OE1-OH 2.8Å
18E97.5Very high97Very high100 Ų10060.5 Ų60.547%0.46731%0.314SS..Hα-helixtrans-71.4-40.7176.4-167.662.9-160.100111.2F14 D15 A20 K21F14-E18 PolarHBondContact O-N 3.04Å; F14-E18 VanDerWaalsContact O-N 3.11Å; D15-E18 PolarHBondContact O-N 2.79Å; E18-A20 PolarHBondContact O-N 3.26Å; E18-K21 VanDerWaalsContact O-CB 3.29Å; E18-K21 WeakPolarHBondContact O-CB 3.45Å; E18-K21 PolarHBondContact O-N 2.92Å; E18-K21 IonicContact OE1-NZ 2.69Å; E18-K21 PolarHBondContact OE1-NZ 3.13Å; E18-K21 IonicContact OE2-NZ 3.75Å; E18-K21 PolarHBondContact OE2-NZ 2.83Å
19A97.4Very high97Very high41 Ų4161 Ų6134%0.33932%0.315SS..Hα-helixtrans-65.2-40.6176.200000112D15 K21 E22 L318D15-A19 VanDerWaalsContact O-CB 3.28Å; D15-A19 WeakPolarHBondContact O-CB 3.5Å; D15-A19 PolarHBondContact O-N 3.38Å; A19-K21 VanDerWaalsContact C-N 3.27Å; A19-K21 PolarHBondContact O-N 2.99Å; A19-E22 PolarHBondContact O-N 3.47Å; A19-L318 HydrophobicContact CB-CD1 3.66Å; A19-L318 HydrophobicContact CB-CD2 3.89Å; A19-L318 HydrophobicContact CB-CG 4.44Å
20A97.3Very high97.1Very high0 Ų053.3 Ų53.30%027%0.274CS..Hα-helixtrans-65.1-31178.800000112.5L16 E18 E22 V23 I24 Y314 A317L16-A20 WeakPolarHBondContact O-CB 3.28Å; L16-A20 PolarHBondContact O-N 3.33Å; E18-A20 PolarHBondContact O-N 3.26Å; A20-E22 PolarHBondContact O-N 2.96Å; A20-V23 PolarHBondContact O-N 3.42Å; A20-I24 HydrophobicContact CB-CD1 4.08Å; A20-I24 WeakPolarHBondContact O-CB 3.32Å; A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 2.82Å; A20-Y314 HydrophobicContact CB-CD1 3.68Å; A20-Y314 HydrophobicContact CB-CG 3.98Å; A20-A317 HydrophobicContact CB-CB 4.4Å
21K97.2Very high97.1Very high87 Ų8752.1 Ų52.138%0.37827%0.269SS..Hα-helixtrans-59.6-32.2174.8-175.2179.2157.8-155.40113.2E17 E18 A19 Y29E17-K21 PolarHBondContact O-N 2.96Å; E18-K21 VanDerWaalsContact O-CB 3.29Å; E18-K21 WeakPolarHBondContact O-CB 3.45Å; E18-K21 PolarHBondContact O-N 2.92Å; E18-K21 IonicContact OE1-NZ 2.69Å; E18-K21 PolarHBondContact OE1-NZ 3.13Å; E18-K21 IonicContact OE2-NZ 3.75Å; E18-K21 PolarHBondContact OE2-NZ 2.83Å; A19-K21 VanDerWaalsContact C-N 3.27Å; A19-K21 PolarHBondContact O-N 2.99Å; K21-Y29 VanDerWaalsContact CA-CE2 3.45Å; K21-Y29 HydrophobicContact CB-CD1 4.47Å; K21-Y29 HydrophobicContact CB-CD2 4.04Å; K21-Y29 HydrophobicContact CB-CE1 4.02Å; K21-Y29 HydrophobicContact CB-CE2 3.53Å; K21-Y29 HydrophobicContact CB-CG 4.47Å; K21-Y29 VanDerWaalsContact CB-CZ 3.5Å; K21-Y29 HydrophobicContact CD-CE1 4.02Å; K21-Y29 HydrophobicContact CG-CD1 4.05Å; K21-Y29 HydrophobicContact CG-CD2 4.48Å; K21-Y29 HydrophobicContact CG-CE1 3.66Å; K21-Y29 HydrophobicContact CG-CE2 4.12Å; K21-Y29 HydrophobicContact CG-CG 4.43Å
22E96.9Very high97.1Very high142 Ų14246.4 Ų46.466%0.66424%0.239SC*.Hα-helixtrans-77.4-22.2-178.6-61.4-57.3126.900112.9A19 A20A19-E22 PolarHBondContact O-N 3.47Å; A20-E22 PolarHBondContact O-N 2.96Å
23V97Very high97.1Very high57 Ų5745.7 Ų45.735%0.34524%0.237SC..Hα-helixtrans-109.6-26.2-175.8-56.70000113.9A20 A317 L318A20-V23 PolarHBondContact O-N 3.42Å; V23-A317 HydrophobicContact CG2-CB 4.08Å; V23-L318 HydrophobicContact CG1-CD2 4.36Å; V23-L318 HydrophobicContact CG2-CD2 3.92Å
24I97.3Very high97.1Very high7 Ų746.1 Ų46.14%0.03624%0.24CC..SBendtrans-85130178.3-58.6175.8000109.6A20 K26 Y29 I32 A91 A317A20-I24 HydrophobicContact CB-CD1 4.08Å; A20-I24 WeakPolarHBondContact O-CB 3.32Å; A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.44Å; A20-I24 PolarHBondContact O-N 2.82Å; I24-K26 PolarHBondContact O-N 3.23Å; I24-Y29 HydrophobicContact CB-CD2 4.47Å; I24-Y29 HydrophobicContact CD1-CD2 4.44Å; I24-Y29 VanDerWaalsContact CG2-N 3.28Å; I24-I32 HydrophobicContact CD1-CD1 4.02Å; I24-I32 HydrophobicContact CG2-CD1 4.43Å; I24-A91 HydrophobicContact CD1-CB 4.23Å; I24-A317 HydrophobicContact CD1-CB 3.69Å; I24-A317 HydrophobicContact CG1-CB 3.69Å
25P96.7Very high97.3Very high76 Ų7642.3 Ų42.349%0.49422%0.223SC..  trans-54.1138.4175-2634.4000112.6G27 G28 Y29P25-G27 VanDerWaalsContact C-N 3.26Å; P25-G27 PolarHBondContact O-N 3.28Å; P25-G28 WeakPolarHBondContact O-CA 3.29Å; P25-G28 PolarHBondContact O-N 3.45Å; P25-Y29 PolarHBondContact O-N 3.32Å
26K97.1Very high97.3Very high163 Ų16339.2 Ų39.271%0.70921%0.207SC*.Hα-helixtrans-41.7-46.5-173.2-176.4-178179.4-173.30114.8I24 G30 N179I24-K26 PolarHBondContact O-N 3.23Å; K26-G30 PolarHBondContact O-N 3.18Å; K26-N179 VanDerWaalsContact CE-OD1 3.29Å; K26-N179 WeakPolarHBondContact CE-OD1 3.4Å
27G96.7Very high97.3Very high22 Ų2239.8 Ų39.823%0.22721%0.214CC..Hα-helixtrans-63.5-48.8178.900000112.7P25 G30 Y31 F181P25-G27 VanDerWaalsContact C-N 3.26Å; P25-G27 PolarHBondContact O-N 3.28Å; G27-G30 PolarHBondContact O-N 3.08Å; G27-Y31 PolarHBondContact O-N 2.8Å; G27-F181 VanDerWaalsContact C-CD2 3.45Å; G27-F181 VanDerWaalsContact O-CD2 3.32Å; G27-F181 WeakPolarHBondContact O-CD2 3.14Å
28G97.2Very high97.3Very high6 Ų644.8 Ų44.86%0.06224%0.241CC..Hα-helixtrans-65.2-41.5177.100000112.4P25 Y31 I32P25-G28 WeakPolarHBondContact O-CA 3.29Å; P25-G28 PolarHBondContact O-N 3.45Å; G28-Y31 PolarHBondContact O-N 3.35Å; G28-I32 WeakPolarHBondContact O-CD1 3.06Å; G28-I32 WeakPolarHBondContact O-CG1 3.48Å; G28-I32 PolarHBondContact O-N 3.44Å
29Y98Very high97.3Very high35 Ų3542.9 Ų42.914%0.13723%0.233CC..Hα-helixtrans-61.4-49.3176.5178.7-100.6000110.7E17 K21 I24 P25 Y31 I32 S33 Y314E17-Y29 PolarHBondContact O-OH 3.07Å; K21-Y29 VanDerWaalsContact CA-CE2 3.45Å; K21-Y29 HydrophobicContact CB-CD1 4.47Å; K21-Y29 HydrophobicContact CB-CD2 4.04Å; K21-Y29 HydrophobicContact CB-CE1 4.02Å; K21-Y29 HydrophobicContact CB-CE2 3.53Å; K21-Y29 HydrophobicContact CB-CG 4.47Å; K21-Y29 VanDerWaalsContact CB-CZ 3.5Å; K21-Y29 HydrophobicContact CD-CE1 4.02Å; K21-Y29 HydrophobicContact CG-CD1 4.05Å; K21-Y29 HydrophobicContact CG-CD2 4.48Å; K21-Y29 HydrophobicContact CG-CE1 3.66Å; K21-Y29 HydrophobicContact CG-CE2 4.12Å; K21-Y29 HydrophobicContact CG-CG 4.43Å; I24-Y29 HydrophobicContact CB-CD2 4.47Å; I24-Y29 HydrophobicContact CD1-CD2 4.44Å; I24-Y29 VanDerWaalsContact CG2-N 3.28Å; P25-Y29 PolarHBondContact O-N 3.32Å; Y29-Y31 VanDerWaalsContact C-N 3.27Å; Y29-Y31 PolarHBondContact O-N 3.45Å; Y29-I32 PolarHBondContact O-N 3.07Å; Y29-S33 WeakPolarHBondContact CE1-OG 3.42Å; Y29-S33 PolarHBondContact O-N 3.3Å; Y29-S33 PolarHBondContact O-OG 3.12Å; Y29-Y314 HydrophobicContact CE2-CE1 4.41Å
30G97.9Very high97.3Very high2 Ų245.7 Ų45.72%0.02124%0.238CC..Hα-helixtrans-58.6-38.2177.300000113.1K26 G27 I32 S34K26-G30 PolarHBondContact O-N 3.18Å; G27-G30 PolarHBondContact O-N 3.08Å; G30-I32 VanDerWaalsContact C-N 3.33Å; G30-I32 PolarHBondContact O-N 3.23Å; G30-S34 WeakPolarHBondContact O-CB 3.5Å; G30-S34 PolarHBondContact O-N 2.74Å; G30-S34 PolarHBondContact O-OG 3.45Å
31Y98Very high97.4Very high8 Ų845.7 Ų45.73%0.03124%0.238CC..Hα-helixtrans-64.4-34.9174.1168.3-94.4000113G27 G28 Y29 L90 D176 F181 F183 M201 R258G27-Y31 PolarHBondContact O-N 2.8Å; G28-Y31 PolarHBondContact O-N 3.35Å; Y29-Y31 VanDerWaalsContact C-N 3.27Å; Y29-Y31 PolarHBondContact O-N 3.45Å; Y31-L90 HydrophobicContact CD1-CD1 3.33Å; Y31-L90 HydrophobicContact CE1-CD1 3.6Å; Y31-L90 HydrophobicContact CG-CD1 4.23Å; Y31-D176 VanDerWaalsContact CA-OD1 3.26Å; Y31-D176 WeakPolarHBondContact CA-OD1 3.31Å; Y31-F181 HydrophobicContact CD1-CE1 4.34Å; Y31-F181 HydrophobicContact CD1-CZ 4.26Å; Y31-F181 AromaticContact CD2-CD1 3.89Å; Y31-F181 HydrophobicContact CD2-CD1 3.89Å; Y31-F181 AromaticContact CD2-CE1 3.47Å; Y31-F181 HydrophobicContact CD2-CE1 3.47Å; Y31-F181 VanDerWaalsContact CD2-CE1 3.47Å; Y31-F181 HydrophobicContact CD2-CZ 4.18Å; Y31-F181 HydrophobicContact CE2-CE1 4.13Å; Y31-F181 HydrophobicContact CG-CD1 4.14Å; Y31-F181 AromaticContact CG-CE1 3.59Å; Y31-F181 HydrophobicContact CG-CE1 3.59Å; Y31-F181 AromaticContact CG-CZ 3.82Å; Y31-F181 HydrophobicContact CG-CZ 3.82Å; Y31-F183 HydrophobicContact CD2-CZ 4.42Å; Y31-F183 HydrophobicContact CE1-CE1 4.04Å; Y31-F183 HydrophobicContact CE1-CZ 4.35Å; Y31-F183 HydrophobicContact CE2-CE1 4.06Å; Y31-F183 AromaticContact CE2-CZ 3.59Å; Y31-F183 HydrophobicContact CE2-CZ 3.59Å; Y31-F183 AromaticContact CZ-CE1 3.7Å; Y31-F183 AromaticContact CZ-CZ 3.55Å; Y31-F183 WeakPolarHBondContact OH-CZ 3.26Å; Y31-M201 HydrophobicContact CE2-CB 4.38Å; Y31-M201 HydrophobicContact CE2-CE 4.07Å; Y31-M201 HydrophobicContact CE2-CG 4.37Å; Y31-M201 HydrophobicContact CE2-SD 4.37Å; Y31-M201 WeakPolarHBondContact OH-CE 3.36Å; Y31-R258 PolarHBondContact O-NH1 2.93Å; Y31-R258 PolarHBondContact O-NH2 3.34Å
32I98Very high97.5Very high17 Ų1743.5 Ų43.59%0.08723%0.228CC..Hα-helixtrans-80.3-51.5180-66.5159.4000111.1I24 G28 Y29 G30 L90 A91 R310 I313 Y314I24-I32 HydrophobicContact CD1-CD1 4.02Å; I24-I32 HydrophobicContact CG2-CD1 4.43Å; G28-I32 WeakPolarHBondContact O-CD1 3.06Å; G28-I32 WeakPolarHBondContact O-CG1 3.48Å; G28-I32 PolarHBondContact O-N 3.44Å; Y29-I32 PolarHBondContact O-N 3.07Å; G30-I32 VanDerWaalsContact C-N 3.33Å; G30-I32 PolarHBondContact O-N 3.23Å; I32-L90 HydrophobicContact CD1-CB 4.25Å; I32-A91 HydrophobicContact CD1-CB 4.43Å; I32-R310 WeakPolarHBondContact O-CD 3.46Å; I32-R310 PolarHBondContact O-NE 3.04Å; I32-I313 HydrophobicContact CD1-CG2 3.74Å; I32-I313 HydrophobicContact CG1-CG2 4.24Å; I32-I313 HydrophobicContact CG2-CB 4.38Å; I32-I313 HydrophobicContact CG2-CG2 3.93Å; I32-Y314 HydrophobicContact CG2-CD1 4.38Å; I32-Y314 HydrophobicContact CG2-CE1 3.63Å
33S97.5Very high97.5Very high18 Ų1840.9 Ų40.913%0.12622%0.216CC..Hα-helixtrans-77.3-26.1-166.860.70000113.9Y29 Y314Y29-S33 WeakPolarHBondContact CE1-OG 3.42Å; Y29-S33 PolarHBondContact O-N 3.3Å; Y29-S33 PolarHBondContact O-OG 3.12Å; S33-Y314 WeakPolarHBondContact CA-OH 3.19Å; S33-Y314 WeakPolarHBondContact CB-OH 3.34Å
34S96.7Very high97.6Very high9 Ų940 Ų406%0.06321%0.208CC..  trans-84.7167.2-171.770.70000115.5G30 T175 R258 R310G30-S34 WeakPolarHBondContact O-CB 3.5Å; G30-S34 PolarHBondContact O-N 2.74Å; G30-S34 PolarHBondContact O-OG 3.45Å; S34-T175 WeakPolarHBondContact CB-OG1 3.21Å; S34-R258 PolarHBondContact O-NH1 2.83Å; S34-R258 VanDerWaalsContact O-NH1 3.09Å; S34-R310 PolarHBondContact O-NH2 3.38Å
35G97.7Very high97.7Very high1 Ų139.7 Ų39.71%0.0121%0.206CC..  trans-114.4-168.9170.400000112.8G257G35-G257 CarbonylContact C-O 3.53Å; G35-G257 WeakPolarHBondContact CA-O 3.34Å
36A98.2Very high97.7Very high0 Ų039.2 Ų39.20%020%0.198CC..SBendtrans-89.5158.4171.700000111.6I39 N172 G257 Q259 D261A36-I39 WeakPolarHBondContact O-CA 3.39Å; A36-I39 PolarHBondContact O-N 3.08Å; A36-N172 CarbonylContact C-O 3.59Å; A36-N172 WeakPolarHBondContact CA-O 3.39Å; A36-G257 PolarHBondContact N-O 3.13Å; A36-Q259 WeakPolarHBondContact CB-O 3.34Å; A36-D261 HydrophobicContact CB-CB 4.03Å; A36-D261 WeakPolarHBondContact O-CB 3.28Å
37G97.2Very high97.7Very high14 Ų1435.8 Ų35.814%0.14418%0.183CC..THydrogen-bonded Turntrans59-135.417200000113.4I39 N172 D261G37-I39 PolarHBondContact O-N 2.68Å; G37-N172 PolarHBondContact N-O 2.84Å; G37-D261 WeakPolarHBondContact CA-OD2 3.31Å
38D96.3Very high97.8Very high136 Ų13634.8 Ų34.873%0.72717%0.172SC*.THydrogen-bonded Turntrans-80.713.8178.5-67.1-23.8000111.6F40 D261D38-F40 PolarHBondContact O-N 3.49Å; D38-F40 VanDerWaalsContact O-N 3.14Å; D38-D261 PolarHBondContact N-OD2 3.35Å
39I97.1Very high97.9Very high59 Ų5934.5 Ų34.530%0.30317%0.169SC..SBendtrans54.225.2-175.463.2167000113.3A36 G37 Y42 Q43A36-I39 WeakPolarHBondContact O-CA 3.39Å; A36-I39 PolarHBondContact O-N 3.08Å; G37-I39 PolarHBondContact O-N 2.68Å; I39-Y42 HydrophobicContact CB-CD1 4.3Å; I39-Y42 WeakPolarHBondContact O-CB 3.21Å; I39-Y42 PolarHBondContact O-N 2.98Å; I39-Q43 WeakPolarHBondContact O-CG 3.27Å; I39-Q43 PolarHBondContact O-N 3.35Å
40F98.4Very high97.9Very high101 Ų10136.8 Ų36.844%0.44318%0.184SC..Hα-helixtrans-61.9-59.5-179170.1-99.6000110.7D38 Y42 Q43 E44 D261D38-F40 PolarHBondContact O-N 3.49Å; D38-F40 VanDerWaalsContact O-N 3.14Å; F40-Y42 PolarHBondContact O-N 3.19Å; F40-Q43 PolarHBondContact O-N 3.46Å; F40-E44 HydrophobicContact CD1-CG 4.28Å; F40-E44 HydrophobicContact CD2-CG 4.06Å; F40-E44 HydrophobicContact CE1-CG 3.86Å; F40-E44 HydrophobicContact CE2-CG 3.62Å; F40-E44 HydrophobicContact CG-CG 4.38Å; F40-E44 HydrophobicContact CZ-CG 3.52Å; F40-E44 WeakPolarHBondContact O-CG 3.23Å; F40-E44 PolarHBondContact O-N 3.5Å; F40-D261 PolarHBondContact N-OD1 3.49Å; F40-D261 VanDerWaalsContact N-OD1 3.15Å
41T98.7Very high97.9Very high0 Ų039.3 Ų39.30%020%0.195CC..Hα-helixtrans-63.3-31.3-179-59.90000111.3E44 N45 N254 D261 G262 G263T41-E44 PolarHBondContact O-N 3.24Å; T41-N45 PolarHBondContact O-N 3.04Å; T41-N45 PolarHBondContact O-ND2 2.93Å; T41-N254 VanDerWaalsContact CG2-ND2 3.32Å; T41-N254 WeakPolarHBondContact CG2-ND2 3.5Å; T41-D261 WeakPolarHBondContact CB-OD1 3.25Å; T41-D261 PolarHBondContact N-OD1 2.99Å; T41-D261 PolarHBondContact OG1-OD1 3.49Å; T41-G262 PolarHBondContact OG1-N 3.46Å; T41-G263 PolarHBondContact OG1-N 3.47Å; T41-G263 PolarHBondContact OG1-O 3.45Å
42Y98.4Very high97.9Very high40 Ų4040.2 Ų40.216%0.15720%0.199CC..Hα-helixtrans-60-46.6172.2170-103.5000112I39 F40 G256 R310I39-Y42 HydrophobicContact CB-CD1 4.3Å; I39-Y42 WeakPolarHBondContact O-CB 3.21Å; I39-Y42 PolarHBondContact O-N 2.98Å; F40-Y42 PolarHBondContact O-N 3.19Å; Y42-G256 WeakPolarHBondContact CD2-O 3.33Å; Y42-R310 VanDerWaalsContact CE2-CZ 3.5Å
43Q98.2Very high97.9Very high87 Ų8742 Ų4241%0.40721%0.209SC..Hα-helixtrans-69.7-42177.7-69.3176.5-0.400111.9I39 F40 N45 E46 K47I39-Q43 WeakPolarHBondContact O-CG 3.27Å; I39-Q43 PolarHBondContact O-N 3.35Å; F40-Q43 PolarHBondContact O-N 3.46Å; Q43-N45 VanDerWaalsContact C-N 3.26Å; Q43-N45 PolarHBondContact O-N 3.03Å; Q43-E46 PolarHBondContact O-N 3.07Å; Q43-K47 PolarHBondContact O-N 3.23Å
44E98.5Very high98Very high38 Ų3843 Ų4318%0.17821%0.212CC..Hα-helixtrans-64.9-30.2-179.5-65.8-45.4123.200112.6F40 T41 E46 K47 A48 A265F40-E44 HydrophobicContact CD1-CG 4.28Å; F40-E44 HydrophobicContact CD2-CG 4.06Å; F40-E44 HydrophobicContact CE1-CG 3.86Å; F40-E44 HydrophobicContact CE2-CG 3.62Å; F40-E44 HydrophobicContact CG-CG 4.38Å; F40-E44 HydrophobicContact CZ-CG 3.52Å; F40-E44 WeakPolarHBondContact O-CG 3.23Å; F40-E44 PolarHBondContact O-N 3.5Å; T41-E44 PolarHBondContact O-N 3.24Å; E44-E46 PolarHBondContact O-N 3.09Å; E44-K47 PolarHBondContact O-N 3.34Å; E44-K47 WeakPolarHBondContact OE1-CD 3.34Å; E44-K47 IonicContact OE1-NZ 3.71Å; E44-K47 PolarHBondContact OE1-NZ 3.27Å; E44-A48 VanDerWaalsContact O-CB 3.23Å; E44-A48 WeakPolarHBondContact O-CB 3.37Å; E44-A48 PolarHBondContact O-N 3.49Å; E44-A265 HydrophobicContact CB-CB 4.12Å; E44-A265 WeakPolarHBondContact O-CB 3.35Å
45N98.8Very high98Very high2 Ų244.3 Ų44.31%0.01122%0.218CC..Hα-helixtrans-53.9-37.8174.2-82.9-32.6000113.7T41 Q43 F49 N254 G257 S266T41-N45 PolarHBondContact O-N 3.04Å; T41-N45 PolarHBondContact O-ND2 2.93Å; Q43-N45 VanDerWaalsContact C-N 3.26Å; Q43-N45 PolarHBondContact O-N 3.03Å; N45-F49 WeakPolarHBondContact O-CD2 3.45Å; N45-F49 WeakPolarHBondContact O-CE2 3.34Å; N45-N254 PolarHBondContact ND2-ND2 3.25Å; N45-N254 PolarHBondContact ND2-OD1 3.3Å; N45-N254 PolarHBondContact OD1-ND2 2.93Å; N45-N254 PolarHBondContact OD1-OD1 3.49Å; N45-G257 PolarHBondContact ND2-N 2.99Å; N45-S266 PolarHBondContact OD1-N 3.19Å
46E97.7Very high98.1Very high66 Ų6649 Ų4931%0.30825%0.248SC..Hα-helixtrans-82.3-42.3177-168.5-177.9138.300111.5F14 Q43 E44 A48 F49F14-E46 WeakPolarHBondContact CZ-OE1 3.49Å; Q43-E46 PolarHBondContact O-N 3.07Å; E44-E46 PolarHBondContact O-N 3.09Å; E46-A48 VanDerWaalsContact C-N 3.31Å; E46-A48 PolarHBondContact O-N 2.84Å; E46-F49 WeakPolarHBondContact O-CD2 3.36Å; E46-F49 PolarHBondContact O-N 3.01Å
47K97.9Very high98Very high91 Ų9152.8 Ų52.840%0.39627%0.266SS..Hα-helixtrans-63.7-35.4-178.5-66173-167.9164.50112.7Q43 E44 F49 N50Q43-K47 PolarHBondContact O-N 3.23Å; E44-K47 PolarHBondContact O-N 3.34Å; E44-K47 WeakPolarHBondContact OE1-CD 3.34Å; E44-K47 IonicContact OE1-NZ 3.71Å; E44-K47 PolarHBondContact OE1-NZ 3.27Å; K47-F49 PolarHBondContact O-N 3.37Å; K47-F49 VanDerWaalsContact O-N 3.13Å; K47-N50 VanDerWaalsContact O-CB 3.29Å; K47-N50 WeakPolarHBondContact O-CB 3.41Å; K47-N50 PolarHBondContact O-N 3.34Å; K47-N50 PolarHBondContact O-ND2 3.37Å
48A98.2Very high98Very high0 Ų058 Ų580%029%0.294CS..G310 helixtrans-60.6-24.9-175.800000113.6E44 E46 N50 H51 A265 F267E44-A48 VanDerWaalsContact O-CB 3.23Å; E44-A48 WeakPolarHBondContact O-CB 3.37Å; E44-A48 PolarHBondContact O-N 3.49Å; E46-A48 VanDerWaalsContact C-N 3.31Å; E46-A48 PolarHBondContact O-N 2.84Å; A48-N50 PolarHBondContact O-N 2.65Å; A48-N50 VanDerWaalsContact O-N 3.08Å; A48-H51 VanDerWaalsContact O-CB 3.28Å; A48-H51 WeakPolarHBondContact O-CB 3.38Å; A48-H51 PolarHBondContact O-N 3.26Å; A48-A265 HydrophobicContact CB-CB 3.39Å; A48-F267 HydrophobicContact CB-CB 4.25Å; A48-F267 HydrophobicContact CB-CD1 4.5Å; A48-F267 WeakPolarHBondContact O-CD1 3.28Å
49F98.5Very high98Very high0 Ų060 Ų600%030%0.304CS..G310 helixtrans-59.6-22.3171.3-71.4-75.4000112.4N45 E46 K47 H51 F267 F285 G288 V289 H294 K297N45-F49 WeakPolarHBondContact O-CD2 3.45Å; N45-F49 WeakPolarHBondContact O-CE2 3.34Å; E46-F49 WeakPolarHBondContact O-CD2 3.36Å; E46-F49 PolarHBondContact O-N 3.01Å; K47-F49 PolarHBondContact O-N 3.37Å; K47-F49 VanDerWaalsContact O-N 3.13Å; F49-H51 VanDerWaalsContact C-N 3.33Å; F49-F267 HydrophobicContact CD1-CB 4.4Å; F49-F267 HydrophobicContact CD1-CD1 4.1Å; F49-F267 AromaticContact CD1-CD2 3.77Å; F49-F267 HydrophobicContact CD1-CD2 3.77Å; F49-F267 HydrophobicContact CD1-CE1 4.36Å; F49-F267 HydrophobicContact CD1-CE2 4.08Å; F49-F267 AromaticContact CD1-CG 3.79Å; F49-F267 HydrophobicContact CD1-CG 3.79Å; F49-F267 HydrophobicContact CD1-CZ 4.37Å; F49-F267 HydrophobicContact CE1-CB 4.13Å; F49-F267 AromaticContact CE1-CD2 3.47Å; F49-F267 HydrophobicContact CE1-CD2 3.47Å; F49-F267 VanDerWaalsContact CE1-CD2 3.47Å; F49-F267 HydrophobicContact CE1-CE2 4.03Å; F49-F267 AromaticContact CE1-CG 3.76Å; F49-F267 HydrophobicContact CE1-CG 3.76Å; F49-F267 HydrophobicContact CG-CG 4.41Å; F49-F267 HydrophobicContact CZ-CB 4.2Å; F49-F267 HydrophobicContact CZ-CD2 4.27Å; F49-F267 HydrophobicContact CZ-CG 4.34Å; F49-F285 HydrophobicContact CE1-CE1 4.04Å; F49-F285 HydrophobicContact CE1-CZ 4.26Å; F49-F285 AromaticContact CZ-CE1 3.7Å; F49-F285 HydrophobicContact CZ-CE1 3.7Å; F49-F285 AromaticContact CZ-CZ 3.8Å; F49-F285 HydrophobicContact CZ-CZ 3.8Å; F49-G288 WeakPolarHBondContact CE2-O 3.47Å; F49-V289 HydrophobicContact CZ-CG2 3.93Å; F49-H294 HydrophobicContact CD1-CB 3.7Å; F49-H294 AromaticContact CD1-CD2 4Å; F49-H294 AromaticContact CD1-CG 3.86Å; F49-H294 HydrophobicContact CD2-CB 4.16Å; F49-H294 AromaticContact CD2-CD2 3.95Å; F49-H294 AromaticContact CD2-CE1 3.93Å; F49-H294 AromaticContact CD2-CG 3.66Å; F49-H294 AromaticContact CD2-ND1 3.6Å; F49-H294 HydrophobicContact CE1-CB 3.56Å; F49-H294 WeakPolarHBondContact CE1-O 3.48Å; F49-H294 HydrophobicContact CE2-CB 4.05Å; F49-H294 AromaticContact CE2-CG 3.95Å; F49-H294 AromaticContact CE2-ND1 3.83Å; F49-H294 HydrophobicContact CG-CB 4Å; F49-H294 AromaticContact CG-CD2 3.58Å; F49-H294 AromaticContact CG-CG 3.61Å; F49-H294 HydrophobicContact CZ-CB 3.75Å; F49-K297 HydrophobicContact CB-CD 4.36Å; F49-K297 HydrophobicContact CD1-CB 4.3Å; F49-K297 HydrophobicContact CD1-CD 4.34Å; F49-K297 WeakPolarHBondContact O-CD 3.46Å; F49-K297 PolarHBondContact O-NZ 3.02Å
50N98.1Very high98Very high83 Ų8363.6 Ų63.644%0.44431%0.314SS..G310 helixtrans-79.5-11175.4-63.2-46.9000113.5K47 A48 K52 N358 L361K47-N50 VanDerWaalsContact O-CB 3.29Å; K47-N50 WeakPolarHBondContact O-CB 3.41Å; K47-N50 PolarHBondContact O-N 3.34Å; K47-N50 PolarHBondContact O-ND2 3.37Å; A48-N50 PolarHBondContact O-N 2.65Å; A48-N50 VanDerWaalsContact O-N 3.08Å; N50-K52 PolarHBondContact O-N 2.87Å; N50-N358 WeakPolarHBondContact O-CB 3.45Å; N50-N358 PolarHBondContact O-ND2 3.42Å; N50-L361 HydrophobicContact CB-CD1 3.64Å; N50-L361 WeakPolarHBondContact O-CD1 3.44Å
51H98.2Very high98Very high55 Ų5566.8 Ų66.826%0.25534%0.336SS..G310 helixtrans-65-25172.9-58.1161.5000112A48 F49 D268 N358A48-H51 VanDerWaalsContact O-CB 3.28Å; A48-H51 WeakPolarHBondContact O-CB 3.38Å; A48-H51 PolarHBondContact O-N 3.26Å; F49-H51 VanDerWaalsContact C-N 3.33Å; H51-D268 IonicContact CE1-OD1 3.45Å; H51-D268 IonicContact CE1-OD2 3.13Å; H51-D268 PolarHBondContact CE1-OD2 2.88Å; H51-D268 IonicContact CG-OD1 3.75Å; H51-D268 VanDerWaalsContact ND1-CG 3.31Å; H51-D268 IonicContact ND1-OD1 3.89Å; H51-D268 PolarHBondContact ND1-OD1 2.66Å; H51-D268 IonicContact ND1-OD2 2.63Å; H51-D268 PolarHBondContact ND1-OD2 3.37Å; H51-D268 VanDerWaalsContact ND1-OD2 3.08Å; H51-N358 WeakPolarHBondContact O-CB 3.35Å; H51-N358 PolarHBondContact O-N 2.95Å
52K97.9Very high97.9Very high27 Ų2767.9 Ų67.912%0.11734%0.342CS..EExtended strand (participates in β ladder)trans-122.7133.9178.3-56.8-69.5171.9139.10111N50 F267 K297 L355 R356 E357N50-K52 PolarHBondContact O-N 2.87Å; K52-F267 HydrophobicContact CB-CE1 4.01Å; K52-F267 HydrophobicContact CB-CZ 4.21Å; K52-F267 HydrophobicContact CG-CE1 3.77Å; K52-F267 HydrophobicContact CG-CZ 4.12Å; K52-K297 WeakPolarHBondContact O-CD 3.48Å; K52-K297 WeakPolarHBondContact O-CE 3.14Å; K52-K297 PolarHBondContact O-NZ 2.87Å; K52-L355 HydrophobicContact CB-CB 3.93Å; K52-L355 HydrophobicContact CB-CD1 3.72Å; K52-L355 HydrophobicContact CB-CG 4.44Å; K52-L355 HydrophobicContact CG-CD1 4.3Å; K52-R356 CarbonylContact C-O 3.58Å; K52-R356 WeakPolarHBondContact CA-O 3.48Å; K52-E357 WeakPolarHBondContact CD-OE2 3.25Å; K52-E357 WeakPolarHBondContact CE-OE1 3.38Å; K52-E357 WeakPolarHBondContact CE-OE2 3.25Å; K52-E357 VanDerWaalsContact NZ-CD 3.29Å; K52-E357 IonicContact NZ-OE1 2.69Å; K52-E357 PolarHBondContact NZ-OE1 3.39Å; K52-E357 IonicContact NZ-OE2 3.31Å; K52-E357 PolarHBondContact NZ-OE2 3.4Å
53L98.4Very high97.9Very high56 Ų5673.1 Ų73.129%0.29337%0.368SS..EExtended strand (participates in β ladder)trans-109.8137.6-176.9-54.4179.3000110.9R356 N358L53-R356 HydrophobicContact CB-CB 4.41Å; L53-R356 PolarHBondContact N-O 3.1Å; L53-R356 PolarHBondContact O-N 3.35Å; L53-N358 HydrophobicContact CD1-CB 4.03Å; L53-N358 HydrophobicContact CD2-CB 4.04Å; L53-N358 HydrophobicContact CG-CB 3.82Å
54I98.6Very high97.9Very high37 Ų3775.9 Ų75.919%0.1939%0.385CS..PPolyproline II helixtrans-82.1130.3168.2-56172.1000107.1Q293 F296 K297 V338 A342 L355I54-Q293 HydrophobicContact CD1-CB 3.71Å; I54-F296 HydrophobicContact CD1-CB 3.99Å; I54-F296 HydrophobicContact CD1-CD1 3.45Å; I54-F296 VanDerWaalsContact CD1-CD1 3.45Å; I54-F296 HydrophobicContact CD1-CE1 4.09Å; I54-F296 HydrophobicContact CD1-CG 3.83Å; I54-F296 HydrophobicContact CG1-CD1 3.72Å; I54-F296 HydrophobicContact CG1-CE1 3.99Å; I54-F296 HydrophobicContact CG2-CD1 4.33Å; I54-F296 HydrophobicContact CG2-CE1 3.88Å; I54-F296 HydrophobicContact CG2-CZ 4.21Å; I54-K297 HydrophobicContact CD1-CG 4.06Å; I54-K297 HydrophobicContact CG1-CD 4.49Å; I54-K297 HydrophobicContact CG1-CG 3.85Å; I54-V338 HydrophobicContact CD1-CG1 3.57Å; I54-A342 HydrophobicContact CG2-CB 3.75Å; I54-L355 HydrophobicContact CG1-CD2 4.01Å
55I98.1Very high97.9Very high38 Ų3874.8 Ų74.820%0.19538%0.381CS..PPolyproline II helixtrans-89.7123.1175.5-57-50.1000108.5H57 R356I55-H57 PolarHBondContact O-CD2 3.46Å; I55-H57 PolarHBondContact O-N 3.11Å; I55-R356 HydrophobicContact CD1-CB 3.7Å; I55-R356 HydrophobicContact CD1-CG 4.35Å; I55-R356 VanDerWaalsContact CD1-NE 3.35Å; I55-R356 HydrophobicContact CG1-CB 4.01Å
56P98.2Very high97.9Very high100 Ų10077.1 Ų77.165%0.64939%0.393SS*.PPolyproline II helixtrans-61.6135.1170-20.632.7000109.6L341P56-L341 WeakPolarHBondContact CA-O 3.38Å
57H96.8Very high98Very high79 Ų7974.1 Ų74.137%0.36638%0.379SS..  trans-116.5139.5176.6-71.5-84.7000110.2I55 R60 L341 A342I55-H57 PolarHBondContact O-CD2 3.46Å; I55-H57 PolarHBondContact O-N 3.11Å; H57-R60 HydrophobicContact CB-CG 3.61Å; H57-L341 PolarHBondContact N-O 3.27Å; H57-A342 PolarHBondContact CD2-O 2.97Å
58V97.3Very high98Very high122 Ų12277.9 Ų77.974%0.73939%0.391SS*.  trans-114.4155178.8-61.70000109.7R60V58-R60 VanDerWaalsContact C-N 3.31Å; V58-R60 PolarHBondContact O-N 3.12Å
59L96.7Very high98Very high178 Ų17878.7 Ų78.793%0.93240%0.396SS*.SBendtrans57.238.5176.7-49.8176000113.9
60R96.6Very high98Very high136 Ų13685.3 Ų85.351%0.51343%0.425SS..  trans-91.3-3.9-177.5-74.2-75.3-69.9172.9-1.6115.1H57 V58 V62 G343H57-R60 HydrophobicContact CB-CG 3.61Å; V58-R60 VanDerWaalsContact C-N 3.31Å; V58-R60 PolarHBondContact O-N 3.12Å; R60-V62 HydrophobicContact CB-CG2 4.1Å; R60-G343 PolarHBondContact NE-O 3.48Å; R60-G343 VanDerWaalsContact NE-O 3.12Å; R60-G343 PolarHBondContact NH2-O 2.94Å
61D97.6Very high98Very high168 Ų16882.1 Ų82.190%0.89841%0.407SS*.  trans54.551.8-175.7-162.335.2000112
62V97.7Very high97.7Very high22 Ų2284 Ų8413%0.13342%0.42CS..  trans-118.7131.7179170.90000108.6R60 P65 Q340 Q345R60-V62 HydrophobicContact CB-CG2 4.1Å; V62-P65 HydrophobicContact CG1-CG 4.13Å; V62-Q340 PolarHBondContact O-NE2 3.36Å; V62-Q345 HydrophobicContact CG2-CB 4.3Å
63E98Very high97.5Very high150 Ų15086 Ų8670%0.70145%0.447SS*.  trans-146.4139.9176.5173.8170.2-140.100108.8Q345E63-Q345 PolarHBondContact O-NE2 3.49Å; E63-Q345 PolarHBondContact O-OE1 3.23Å
64L98.1Very high97.5Very high145 Ų14585.3 Ų85.376%0.75944%0.442SS*.SBendtrans49.366.5179-60.4168.8000112.7D66 Q345L64-D66 PolarHBondContact O-N 2.96Å; L64-Q345 PolarHBondContact O-NE2 2.95Å
65P98.7Very high97.5Very high15 Ų1588.8 Ų88.810%0.09746%0.462CS..  trans-55.5138.4-176.3-23.133.4000112.8V62 M339 Q340V62-P65 HydrophobicContact CG1-CG 4.13Å; P65-M339 HydrophobicContact CB-CB 3.58Å; P65-M339 HydrophobicContact CB-CE 3.78Å; P65-M339 HydrophobicContact CB-CG 4.42Å; P65-M339 HydrophobicContact CB-SD 4Å; P65-M339 HydrophobicContact CG-CB 3.88Å; P65-Q340 HydrophobicContact CG-CB 3.86Å
66D98.8Very high97.5Very high51 Ų5187.2 Ų87.227%0.27345%0.453SS..BIsolated β-bridgetrans-96.3110.1-178.8-168.6-0.6000110.6L64 R68 Q345L64-D66 PolarHBondContact O-N 2.96Å; D66-R68 VanDerWaalsContact C-N 3.32Å; D66-R68 VanDerWaalsContact OD1-CB 3.26Å; D66-R68 WeakPolarHBondContact OD1-CB 3.48Å; D66-R68 VanDerWaalsContact OD1-CG 3.29Å; D66-R68 WeakPolarHBondContact OD1-CG 3.38Å; D66-R68 IonicContact OD1-CZ 3.84Å; D66-R68 PolarHBondContact OD1-N 3.48Å; D66-R68 IonicContact OD1-NE 3.31Å; D66-R68 PolarHBondContact OD1-NE 3.4Å; D66-R68 IonicContact OD1-NH2 3.89Å; D66-R68 IonicContact OD2-CZ 2.73Å; D66-R68 VanDerWaalsContact OD2-CZ 3.31Å; D66-R68 IonicContact OD2-NE 3.11Å; D66-R68 PolarHBondContact OD2-NE 2.8Å; D66-R68 VanDerWaalsContact OD2-NE 3.13Å; D66-R68 IonicContact OD2-NH2 3.14Å; D66-R68 PolarHBondContact OD2-NH2 3.36Å; D66-Q345 PolarHBondContact N-O 3.47Å
67T98.9Very high97.5Very high3 Ų384.5 Ų84.52%0.01844%0.435CS..  trans-80.9-11.6177.344.60000113T77 A78 P79 K332 L335 E336 M339 V347T67-T77 CarbonylContact C-O 3.49Å; T67-T77 PolarHBondContact OG1-O 2.95Å; T67-A78 VanDerWaalsContact O-CA 3.29Å; T67-A78 WeakPolarHBondContact O-CA 3.46Å; T67-P79 VanDerWaalsContact O-CD 3.31Å; T67-P79 WeakPolarHBondContact O-CD 3.26Å; T67-K332 WeakPolarHBondContact OG1-CE 3.45Å; T67-L335 HydrophobicContact CG2-CB 4.41Å; T67-L335 HydrophobicContact CG2-CD2 3.86Å; T67-L335 HydrophobicContact CG2-CG 4.04Å; T67-E336 HydrophobicContact CG2-CG 3.65Å; T67-M339 HydrophobicContact CG2-SD 3.65Å; T67-V347 VanDerWaalsContact O-CG2 3.23Å; T67-V347 WeakPolarHBondContact O-CG2 3.36Å
68R98.9Very high97.6Very high170 Ų17080.7 Ų80.764%0.64242%0.418SS*.  trans-62.6144.3-177.6-64.2173.4-65.2174.13111.2D66 L76D66-R68 VanDerWaalsContact C-N 3.32Å; D66-R68 VanDerWaalsContact OD1-CB 3.26Å; D66-R68 WeakPolarHBondContact OD1-CB 3.48Å; D66-R68 VanDerWaalsContact OD1-CG 3.29Å; D66-R68 WeakPolarHBondContact OD1-CG 3.38Å; D66-R68 IonicContact OD1-CZ 3.84Å; D66-R68 PolarHBondContact OD1-N 3.48Å; D66-R68 IonicContact OD1-NE 3.31Å; D66-R68 PolarHBondContact OD1-NE 3.4Å; D66-R68 IonicContact OD1-NH2 3.89Å; D66-R68 IonicContact OD2-CZ 2.73Å; D66-R68 VanDerWaalsContact OD2-CZ 3.31Å; D66-R68 IonicContact OD2-NE 3.11Å; D66-R68 PolarHBondContact OD2-NE 2.8Å; D66-R68 VanDerWaalsContact OD2-NE 3.13Å; D66-R68 IonicContact OD2-NH2 3.14Å; D66-R68 PolarHBondContact OD2-NH2 3.36Å; R68-L76 VanDerWaalsContact CA-O 3.31Å; R68-L76 WeakPolarHBondContact CA-O 3.23Å
69T98.6Very high97.7Very high18 Ų1874.9 Ų74.911%0.1138%0.382CS..EExtended strand (participates in β ladder)trans-143.6162.1174.5-167.90000110.7L76 P79T69-L76 HydrophobicContact CG2-CB 4.09Å; T69-L76 HydrophobicContact CG2-CD1 4.22Å; T69-L76 PolarHBondContact N-O 3.2Å; T69-L76 VanDerWaalsContact N-O 3.11Å; T69-L76 PolarHBondContact O-N 2.85Å; T69-P79 HydrophobicContact CG2-CB 4.02Å
70K98.2Very high97.8Very high138 Ų13866.5 Ų66.560%0.634%0.338SS*.EExtended strand (participates in β ladder)trans-110130.9171.2-78.1-179.9178.9-71.20109.3E74 D75K70-E74 CarbonylContact C-O 3.51Å; K70-E74 VanDerWaalsContact CA-O 3.26Å; K70-E74 WeakPolarHBondContact CA-O 3.46Å; K70-D75 WeakPolarHBondContact CE-OD1 3.24Å; K70-D75 WeakPolarHBondContact CG-OD1 3.32Å; K70-D75 IonicContact NZ-OD1 3.48Å; K70-D75 PolarHBondContact NZ-OD1 3.18Å; K70-D75 IonicContact NZ-OD2 3.4Å; K70-D75 PolarHBondContact NZ-OD2 3.04Å
71F97.8Very high97.9Very high17 Ų1760 Ų608%0.07531%0.314CS..EExtended strand (participates in β ladder)trans-137.9122.6178.4-167.3-83.3000110.5G73 E74 L76 I109 W134 Y229 P282 D304 L305F71-G73 PolarHBondContact O-N 3.28Å; F71-G73 VanDerWaalsContact O-N 3.08Å; F71-E74 PolarHBondContact N-O 2.66Å; F71-E74 WeakPolarHBondContact O-CB 3.43Å; F71-E74 PolarHBondContact O-N 3.04Å; F71-L76 HydrophobicContact CB-CD1 3.89Å; F71-I109 HydrophobicContact CD1-CD1 4.37Å; F71-W134 HydrophobicContact CD1-CH2 4.47Å; F71-W134 HydrophobicContact CD1-CZ2 4.02Å; F71-W134 AromaticContact CE1-CH2 3.66Å; F71-W134 HydrophobicContact CE1-CH2 3.66Å; F71-W134 AromaticContact CE1-CZ2 3.51Å; F71-W134 HydrophobicContact CE1-CZ2 3.51Å; F71-W134 HydrophobicContact CZ-CH2 4.18Å; F71-W134 HydrophobicContact CZ-CZ2 4.46Å; F71-Y229 WeakPolarHBondContact CE1-OH 3.26Å; F71-Y229 HydrophobicContact CZ-CE1 4.38Å; F71-Y229 WeakPolarHBondContact CZ-OH 3.44Å; F71-P282 HydrophobicContact CE2-CB 3.75Å; F71-P282 HydrophobicContact CZ-CB 3.64Å; F71-P282 HydrophobicContact CZ-CG 4.08Å; F71-D304 HydrophobicContact CD2-CB 4.31Å; F71-D304 HydrophobicContact CE2-CB 3.78Å; F71-L305 HydrophobicContact CB-CD1 4.34Å; F71-L305 HydrophobicContact CB-CD2 4.39Å; F71-L305 HydrophobicContact CD1-CD1 3.67Å; F71-L305 HydrophobicContact CD2-CD1 3.56Å; F71-L305 HydrophobicContact CD2-CD2 4.03Å; F71-L305 HydrophobicContact CD2-CG 3.58Å; F71-L305 HydrophobicContact CE1-CD1 3.74Å; F71-L305 HydrophobicContact CE2-CD1 3.62Å; F71-L305 HydrophobicContact CE2-CG 3.71Å; F71-L305 HydrophobicContact CG-CD1 3.56Å; F71-L305 HydrophobicContact CG-CD2 4.27Å; F71-L305 HydrophobicContact CG-CG 4.03Å; F71-L305 HydrophobicContact CZ-CD1 3.68Å; F71-L305 HydrophobicContact CZ-CG 4.26Å
72D92.7Very high98Very high95 Ų9552 Ų5251%0.50827%0.271SS..THydrogen-bonded Turntrans46.638.5-177.8-70.1-16.8000114.2Y229D72-Y229 PolarHBondContact OD2-OH 2.67Å
73G93.9Very high98Very high68 Ų6851.3 Ų51.370%0.70127%0.267SS*.THydrogen-bonded Turntrans88.7-8.9179.800000115.3F71F71-G73 PolarHBondContact O-N 3.28Å; F71-G73 VanDerWaalsContact O-N 3.08Å
74E97Very high98.1Very high41 Ų4144.9 Ų44.919%0.19224%0.239CC..EExtended strand (participates in β ladder)trans-90137.2179.1-51.6-56141.800111.6K70 F71 L76 P132 K159K70-E74 CarbonylContact C-O 3.51Å; K70-E74 VanDerWaalsContact CA-O 3.26Å; K70-E74 WeakPolarHBondContact CA-O 3.46Å; F71-E74 PolarHBondContact N-O 2.66Å; F71-E74 WeakPolarHBondContact O-CB 3.43Å; F71-E74 PolarHBondContact O-N 3.04Å; E74-L76 HydrophobicContact CB-CD2 4.03Å; E74-P132 HydrophobicContact CB-CG 4.05Å; E74-P132 HydrophobicContact CG-CB 4.02Å; E74-P132 HydrophobicContact CG-CG 3.92Å; E74-P132 WeakPolarHBondContact OE2-CG 3.48Å; E74-K159 HydrophobicContact CG-CD 4.39Å; E74-K159 VanDerWaalsContact OE1-CD 3.24Å; E74-K159 WeakPolarHBondContact OE1-CD 3.49Å; E74-K159 WeakPolarHBondContact OE1-CE 3.32Å; E74-K159 IonicContact OE1-NZ 3.34Å; E74-K159 PolarHBondContact OE1-NZ 2.65Å; E74-K159 IonicContact OE2-NZ 2.59Å; E74-K159 PolarHBondContact OE2-NZ 2.85Å
75D98.1Very high98.1Very high111 Ų11139.8 Ų39.859%0.59421%0.212SC*.EExtended strand (participates in β ladder)trans-83.8119.3167.4-76.1-63.4000109.6K70K70-D75 WeakPolarHBondContact CE-OD1 3.24Å; K70-D75 WeakPolarHBondContact CG-OD1 3.32Å; K70-D75 IonicContact NZ-OD1 3.48Å; K70-D75 PolarHBondContact NZ-OD1 3.18Å; K70-D75 IonicContact NZ-OD2 3.4Å; K70-D75 PolarHBondContact NZ-OD2 3.04Å
76L98.8Very high98Very high4 Ų439.7 Ų39.72%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-109.7139179-50.1-177.3000110.5R68 T69 F71 E74 A78 I109 L305R68-L76 VanDerWaalsContact CA-O 3.31Å; R68-L76 WeakPolarHBondContact CA-O 3.23Å; T69-L76 HydrophobicContact CG2-CB 4.09Å; T69-L76 HydrophobicContact CG2-CD1 4.22Å; T69-L76 PolarHBondContact N-O 3.2Å; T69-L76 VanDerWaalsContact N-O 3.11Å; T69-L76 PolarHBondContact O-N 2.85Å; F71-L76 HydrophobicContact CB-CD1 3.89Å; E74-L76 HydrophobicContact CB-CD2 4.03Å; L76-A78 PolarHBondContact O-N 3.29Å; L76-I109 HydrophobicContact CD1-CD1 4.01Å; L76-I109 HydrophobicContact CD2-CD1 4.12Å; L76-I109 HydrophobicContact CD2-CG1 3.89Å; L76-L305 HydrophobicContact CD1-CD2 3.64Å
77T98.8Very high97.9Very high43 Ų4337.5 Ų37.526%0.26420%0.201SC..SBendtrans-63.6-30.1177-61.80000112.7T67 F106 G107 K332T67-T77 CarbonylContact C-O 3.49Å; T67-T77 PolarHBondContact OG1-O 2.95Å; T77-F106 WeakPolarHBondContact CB-O 3.37Å; T77-F106 HydrophobicContact CG2-CE1 4.38Å; T77-F106 HydrophobicContact CG2-CE2 4.13Å; T77-F106 HydrophobicContact CG2-CZ 4Å; T77-F106 PolarHBondContact OG1-O 2.88Å; T77-G107 PolarHBondContact N-O 3.3Å; T77-G107 PolarHBondContact OG1-O 3.23Å; T77-K332 HydrophobicContact CG2-CD 3.74Å
78A98.8Very high97.9Very high0 Ų037.4 Ų37.40%020%0.201CC..SBendtrans-156160.317700000109.7T67 L76 I80 F106 K332T67-A78 VanDerWaalsContact O-CA 3.29Å; T67-A78 WeakPolarHBondContact O-CA 3.46Å; L76-A78 PolarHBondContact O-N 3.29Å; A78-I80 HydrophobicContact CB-CD1 4.16Å; A78-I80 HydrophobicContact CB-CG1 3.77Å; A78-I80 PolarHBondContact O-N 2.83Å; A78-F106 HydrophobicContact CB-CE1 4.19Å; A78-F106 HydrophobicContact CB-CZ 3.83Å; A78-K332 HydrophobicContact CB-CB 4.46Å; A78-K332 HydrophobicContact CB-CG 4.44Å
79P98.8Very high97.8Very high0 Ų029.5 Ų29.50%017%0.172CC..SBendtrans-77.638.7179.736.3-39.9000112.4T67 T69 L299 L305 V306 L335 V347T67-P79 VanDerWaalsContact O-CD 3.31Å; T67-P79 WeakPolarHBondContact O-CD 3.26Å; T69-P79 HydrophobicContact CG2-CB 4.02Å; P79-L299 HydrophobicContact CB-CD1 4.2Å; P79-L299 HydrophobicContact CB-CD2 4.01Å; P79-L299 HydrophobicContact CG-CD1 3.54Å; P79-L299 HydrophobicContact CG-CD2 4.28Å; P79-L305 HydrophobicContact CB-CD2 4.47Å; P79-V306 PolarHBondContact O-N 3.34Å; P79-L335 HydrophobicContact CG-CD2 4.02Å; P79-V347 HydrophobicContact CB-CG1 4.13Å; P79-V347 HydrophobicContact CG-CG1 4.15Å; P79-V347 HydrophobicContact CG-CG2 3.99Å
80I98.9Very high97.8Very high1 Ų129 Ų291%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-123.5135.1179.756.4178.7000109.6A78 F106 T108 V295 V306 I308 F328 F331A78-I80 HydrophobicContact CB-CD1 4.16Å; A78-I80 HydrophobicContact CB-CG1 3.77Å; A78-I80 PolarHBondContact O-N 2.83Å; I80-F106 HydrophobicContact CD1-CE1 4.14Å; I80-F106 HydrophobicContact CD1-CZ 3.91Å; I80-F106 HydrophobicContact CG1-CE1 4Å; I80-F106 HydrophobicContact CG1-CZ 4.2Å; I80-T108 WeakPolarHBondContact O-CB 3.46Å; I80-T108 WeakPolarHBondContact O-CG2 3.22Å; I80-T108 PolarHBondContact O-OG1 3.22Å; I80-V295 HydrophobicContact CG2-CB 4.48Å; I80-V295 HydrophobicContact CG2-CG1 3.71Å; I80-V295 HydrophobicContact CG2-CG2 3.87Å; I80-V306 CarbonylContact C-O 3.58Å; I80-V306 WeakPolarHBondContact CA-O 3.43Å; I80-V306 HydrophobicContact CG2-CB 4.37Å; I80-I308 HydrophobicContact CB-CG1 4.41Å; I80-F328 HydrophobicContact CB-CE1 4.44Å; I80-F328 HydrophobicContact CD1-CD1 3.64Å; I80-F328 HydrophobicContact CD1-CE1 4.37Å; I80-F328 HydrophobicContact CG1-CD1 3.84Å; I80-F328 HydrophobicContact CG1-CE1 4.22Å; I80-F331 HydrophobicContact CD1-CB 3.54Å
81I98.9Very high97.7Very high0 Ų022.7 Ų22.70%014%0.142CC..EExtended strand (participates in β ladder)trans-126.8169.6179.969.6173.9000110.5I109 W134 W251 V284 L305 V306 A307 I308I81-I109 HydrophobicContact CB-CB 4.1Å; I81-I109 HydrophobicContact CG2-CB 3.8Å; I81-I109 HydrophobicContact CG2-CD1 3.99Å; I81-I109 HydrophobicContact CG2-CG1 4.3Å; I81-W134 HydrophobicContact CD1-CZ3 4.28Å; I81-W251 HydrophobicContact CD1-CH2 3.99Å; I81-W251 HydrophobicContact CD1-CZ3 4.39Å; I81-V284 HydrophobicContact CD1-CG1 3.94Å; I81-L305 HydrophobicContact CD1-CD1 4.31Å; I81-L305 HydrophobicContact CG2-CB 4.42Å; I81-L305 HydrophobicContact CG2-CD1 3.89Å; I81-L305 HydrophobicContact CG2-CD2 4.21Å; I81-L305 HydrophobicContact CG2-CG 4.42Å; I81-V306 PolarHBondContact N-O 3.19Å; I81-A307 HydrophobicContact CD1-CB 4.21Å; I81-A307 HydrophobicContact CG1-CB 3.66Å; I81-A307 CarbonylContact O-C 3.47Å; I81-A307 WeakPolarHBondContact O-CA 3.42Å; I81-I308 PolarHBondContact O-N 2.94Å
82M98.9Very high97.7Very high1 Ų122 Ų221%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-84.2125.7170.9-171.7160.9-176.100111I85 H88 V103 I109 Y110 T111 V312 I313 F328M82-I85 HydrophobicContact CE-CD1 4.18Å; M82-H88 WeakPolarHBondContact CE-CE1 3.28Å; M82-V103 HydrophobicContact CB-CG2 3.9Å; M82-V103 HydrophobicContact CG-CG2 4.41Å; M82-V103 HydrophobicContact SD-CG2 3.7Å; M82-I109 PolarHBondContact N-O 3.32Å; M82-Y110 HydrophobicContact CB-CD2 4.23Å; M82-Y110 HydrophobicContact CE-CE2 4.33Å; M82-Y110 HydrophobicContact CG-CD2 4.28Å; M82-Y110 HydrophobicContact CG-CE2 4.4Å; M82-Y110 HydrophobicContact SD-CD2 3.63Å; M82-Y110 HydrophobicContact SD-CE2 3.5Å; M82-Y110 VanDerWaalsContact SD-CE2 3.5Å; M82-T111 VanDerWaalsContact O-CB 3.26Å; M82-T111 WeakPolarHBondContact O-CB 3.42Å; M82-T111 PolarHBondContact O-OG1 3.05Å; M82-V312 HydrophobicContact CE-CB 4.17Å; M82-V312 HydrophobicContact CE-CG1 3.5Å; M82-V312 HydrophobicContact SD-CG1 3.81Å; M82-I313 HydrophobicContact CE-CD1 4.23Å; M82-F328 HydrophobicContact CB-CZ 3.96Å
83A98.9Very high97.9Very high6 Ų620.6 Ų20.65%0.0513%0.134CC..PPolyproline II helixtrans-66.7149.2171.700000110.5I85 W251 A307 I308A83-I85 PolarHBondContact O-N 3.16Å; A83-W251 HydrophobicContact CB-CZ2 4.42Å; A83-A307 HydrophobicContact CB-CB 3.8Å; A83-I308 WeakPolarHBondContact CB-O 3.26Å; A83-I308 PolarHBondContact N-O 2.99Å
84P98.8Very high98.1Very high15 Ų1518.6 Ų18.610%0.09711%0.111CC..PPolyproline II helixtrans-70119.7174.227.1-32.3000110.3T111 Q136 K231 W251P84-T111 WeakPolarHBondContact CA-O 3.37Å; P84-T111 HydrophobicContact CB-CG2 3.74Å; P84-T111 HydrophobicContact CG-CG2 4Å; P84-Q136 HydrophobicContact CB-CB 3.29Å; P84-Q136 HydrophobicContact CB-CG 3.58Å; P84-Q136 HydrophobicContact CG-CB 3.76Å; P84-Q136 HydrophobicContact CG-CG 3.66Å; P84-K231 HydrophobicContact CG-CD 4.07Å; P84-W251 HydrophobicContact CG-CH2 4.26Å; P84-W251 HydrophobicContact CG-CZ2 4.47Å
85I98.7Very high98.1Very high38 Ų3816.7 Ų16.720%0.19510%0.102CC..  trans-128.5138.2-179.5-55.9162.5000108.3M82 A83 H88 S113 I313M82-I85 HydrophobicContact CE-CD1 4.18Å; A83-I85 PolarHBondContact O-N 3.16Å; I85-H88 PolarHBondContact O-CD2 3.45Å; I85-H88 PolarHBondContact O-NE2 3.26Å; I85-H88 VanDerWaalsContact O-NE2 3.1Å; I85-S113 WeakPolarHBondContact O-CB 3.35Å; I85-I313 HydrophobicContact CB-CD1 4.33Å; I85-I313 HydrophobicContact CD1-CD1 3.84Å; I85-I313 HydrophobicContact CD1-CG1 3.6Å; I85-I313 HydrophobicContact CG2-CD1 3.99Å; I85-I313 HydrophobicContact CG2-CG1 4.01Å
86A97.2Very high98.2Very high13 Ų1311.4 Ų11.411%0.1077%0.074CC..SBendtrans-84.4151.3178.800000111.7Y115A86-Y115 HydrophobicContact CB-CD2 4.43Å
87A96.7Very high98.2Very high5 Ų515.8 Ų15.84%0.0419%0.09CC..  trans53.854.3166.300000115G89 L90 E96 Y115 F183A87-G89 PolarHBondContact O-N 3.24Å; A87-G89 VanDerWaalsContact O-N 3.12Å; A87-L90 HydrophobicContact CB-CD1 3.96Å; A87-L90 HydrophobicContact CB-CG 4.1Å; A87-L90 WeakPolarHBondContact O-CB 3.38Å; A87-L90 WeakPolarHBondContact O-CG 3.38Å; A87-L90 PolarHBondContact O-N 2.76Å; A87-E96 PolarHBondContact N-OE1 3.42Å; A87-Y115 PolarHBondContact N-O 3.39Å; A87-F183 HydrophobicContact CB-CD1 4.02Å; A87-F183 HydrophobicContact CB-CE1 3.76Å
88H98.3Very high98.2Very high2 Ų213.9 Ų13.91%0.0098%0.079CC..G310 helixtrans-59.3-24.8176.3-68.4-164.7000112.4M82 I85 L90 A91 N92 E96 S99 L316M82-H88 WeakPolarHBondContact CE-CE1 3.28Å; I85-H88 PolarHBondContact O-CD2 3.45Å; I85-H88 PolarHBondContact O-NE2 3.26Å; I85-H88 VanDerWaalsContact O-NE2 3.1Å; H88-L90 PolarHBondContact O-N 2.95Å; H88-A91 WeakPolarHBondContact O-CB 3.49Å; H88-A91 PolarHBondContact O-N 2.87Å; H88-N92 PolarHBondContact O-N 3.21Å; H88-E96 HydrophobicContact CB-CG 4.01Å; H88-E96 WeakPolarHBondContact CB-OE1 3.48Å; H88-E96 IonicContact CD2-OE1 3.76Å; H88-E96 IonicContact CG-OE1 2.87Å; H88-E96 PolarHBondContact N-OE1 3.39Å; H88-S99 PolarHBondContact CE1-OG 2.8Å; H88-S99 WeakPolarHBondContact ND1-CB 3.48Å; H88-S99 PolarHBondContact ND1-OG 2.94Å; H88-L316 HydrophobicContact CB-CD2 3.77Å
89G97.7Very high98.1Very high4 Ų413.9 Ų13.94%0.0418%0.079CC..G310 helixtrans-53.7-22.2172.500000114.1A87 A91 N92 S117A87-G89 PolarHBondContact O-N 3.24Å; A87-G89 VanDerWaalsContact O-N 3.12Å; G89-A91 PolarHBondContact O-N 3.36Å; G89-N92 WeakPolarHBondContact CA-O 3.48Å; G89-S117 WeakPolarHBondContact CA-OG 3.46Å; G89-S117 PolarHBondContact N-OG 3.43Å
90L97.2Very high98.1Very high7 Ų714 Ų144%0.0378%0.08CC..G310 helixtrans-64.3-28.6173.3-67.3174.5000112.8Y31 I32 A87 H88 F181 F183 P184 L185Y31-L90 HydrophobicContact CD1-CD1 3.33Å; Y31-L90 HydrophobicContact CE1-CD1 3.6Å; Y31-L90 HydrophobicContact CG-CD1 4.23Å; I32-L90 HydrophobicContact CD1-CB 4.25Å; A87-L90 HydrophobicContact CB-CD1 3.96Å; A87-L90 HydrophobicContact CB-CG 4.1Å; A87-L90 WeakPolarHBondContact O-CB 3.38Å; A87-L90 WeakPolarHBondContact O-CG 3.38Å; A87-L90 PolarHBondContact O-N 2.76Å; H88-L90 PolarHBondContact O-N 2.95Å; L90-F181 HydrophobicContact CD1-CE2 4.49Å; L90-F181 HydrophobicContact CD1-CZ 3.86Å; L90-F181 HydrophobicContact CD2-CE2 4.18Å; L90-F181 HydrophobicContact CD2-CZ 4.08Å; L90-F183 HydrophobicContact CD1-CD1 4.44Å; L90-F183 HydrophobicContact CD1-CE1 4.26Å; L90-P184 HydrophobicContact CD2-CG 3.82Å; L90-L185 HydrophobicContact CD2-CD1 4.14Å; L90-L185 HydrophobicContact CG-CD1 4.17Å
91A97.9Very high98.1Very high5 Ų518 Ų184%0.04110%0.097CC..THydrogen-bonded Turntrans-95-42-17800000112.3I24 I32 H88 G89 I313 L316 A317I24-A91 HydrophobicContact CD1-CB 4.23Å; I32-A91 HydrophobicContact CD1-CB 4.43Å; H88-A91 WeakPolarHBondContact O-CB 3.49Å; H88-A91 PolarHBondContact O-N 2.87Å; G89-A91 PolarHBondContact O-N 3.36Å; A91-I313 HydrophobicContact CB-CG2 3.63Å; A91-L316 HydrophobicContact CB-CD2 4.13Å; A91-L316 HydrophobicContact CB-CG 4.44Å; A91-A317 HydrophobicContact CB-CB 4.02Å; A91-A317 WeakPolarHBondContact O-CA 3.37Å
92N97.6Very high98.1Very high2 Ų218 Ų181%0.01110%0.097CC..  trans-148.9140.5-177.2-171.8-61.2000110.2A4 H88 G89 A94 G95 L316A4-N92 PolarHBondContact O-ND2 3.38Å; H88-N92 PolarHBondContact O-N 3.21Å; G89-N92 WeakPolarHBondContact CA-O 3.48Å; N92-A94 PolarHBondContact O-N 3.22Å; N92-A94 VanDerWaalsContact O-N 3.16Å; N92-A94 WeakPolarHBondContact OD1-CB 3.32Å; N92-A94 PolarHBondContact OD1-N 3.2Å; N92-G95 WeakPolarHBondContact O-CA 3.46Å; N92-G95 PolarHBondContact O-N 2.95Å; N92-L316 HydrophobicContact CB-CD1 3.87Å; N92-L316 HydrophobicContact CB-CD2 4.29Å; N92-L316 HydrophobicContact CB-CG 3.7Å; N92-L316 PolarHBondContact ND2-O 3.43Å
93V96.7Very high98.1Very high67 Ų6718 Ų1841%0.40610%0.097SC..THydrogen-bonded Turntrans-61.9-24.2-178.5-61.40000114.2M1 D2 T3 G95M1-V93 HydrophobicContact CB-CG1 3.36Å; M1-V93 WeakPolarHBondContact O-CG1 3.42Å; D2-V93 WeakPolarHBondContact O-CG2 3.45Å; D2-V93 PolarHBondContact O-N 2.93Å; T3-V93 HydrophobicContact CG2-CG2 3.7Å; V93-G95 PolarHBondContact O-N 3.27Å
94A97.6Very high98.1Very high26 Ų2619.1 Ų19.122%0.21511%0.107CC..THydrogen-bonded Turntrans-72.7-19.1173.800000112.3N92 R97 A98N92-A94 PolarHBondContact O-N 3.22Å; N92-A94 VanDerWaalsContact O-N 3.16Å; N92-A94 WeakPolarHBondContact OD1-CB 3.32Å; N92-A94 PolarHBondContact OD1-N 3.2Å; A94-R97 WeakPolarHBondContact O-CB 3.43Å; A94-R97 PolarHBondContact O-N 3.14Å; A94-R97 PolarHBondContact O-NE 3.09Å; A94-A98 HydrophobicContact CB-CB 3.56Å
95G97.9Very high98.1Very high0 Ų024 Ų240%012%0.123CC..Hα-helixtrans55.5-137.7173.100000113.3N92 V93 R97 A98 S99N92-G95 WeakPolarHBondContact O-CA 3.46Å; N92-G95 PolarHBondContact O-N 2.95Å; V93-G95 PolarHBondContact O-N 3.27Å; G95-R97 PolarHBondContact O-N 3.14Å; G95-A98 PolarHBondContact O-N 3.49Å; G95-S99 PolarHBondContact O-N 3.02Å
96E98.7Very high98.1Very high0 Ų022.6 Ų22.60%012%0.116CC..Hα-helixtrans-63.7-23.4-178.9-69.177.8-17200112.9A87 H88 A98 S99 A100 Y110 A116 S117 C118 I123A87-E96 PolarHBondContact N-OE1 3.42Å; H88-E96 HydrophobicContact CB-CG 4.01Å; H88-E96 WeakPolarHBondContact CB-OE1 3.48Å; H88-E96 IonicContact CD2-OE1 3.76Å; H88-E96 IonicContact CG-OE1 2.87Å; H88-E96 PolarHBondContact N-OE1 3.39Å; E96-A98 PolarHBondContact O-N 3.06Å; E96-S99 PolarHBondContact O-N 2.73Å; E96-A100 WeakPolarHBondContact O-CB 3.49Å; E96-A100 PolarHBondContact O-N 3.04Å; E96-Y110 VanDerWaalsContact CB-OH 3.29Å; E96-Y110 WeakPolarHBondContact CB-OH 3.17Å; E96-Y110 VanDerWaalsContact CG-OH 3.28Å; E96-Y110 WeakPolarHBondContact CG-OH 3.22Å; E96-A116 HydrophobicContact CG-CB 3.72Å; E96-A116 VanDerWaalsContact OE1-CA 3.24Å; E96-A116 WeakPolarHBondContact OE1-CA 3.46Å; E96-S117 PolarHBondContact OE1-N 2.91Å; E96-S117 PolarHBondContact OE1-OG 3.35Å; E96-S117 WeakPolarHBondContact OE2-CA 3.47Å; E96-S117 PolarHBondContact OE2-N 3.15Å; E96-S117 PolarHBondContact OE2-OG 2.9Å; E96-C118 HydrophobicContact CB-CB 4.21Å; E96-C118 PolarHBondContact OE2-N 3.4Å; E96-C118 VanDerWaalsContact OE2-N 3.1Å; E96-I123 HydrophobicContact CB-CD1 3.67Å; E96-I123 HydrophobicContact CB-CG1 3.64Å; E96-I123 HydrophobicContact CG-CD1 4.17Å
97R98.6Very high98.2Very high96 Ų9623.2 Ų23.236%0.36212%0.123SC..Hα-helixtrans-60.8-46.3174-62.8178.8-69.3-148.15.1111.3A94 G95 K101 C118 E122 A126A94-R97 WeakPolarHBondContact O-CB 3.43Å; A94-R97 PolarHBondContact O-N 3.14Å; A94-R97 PolarHBondContact O-NE 3.09Å; G95-R97 PolarHBondContact O-N 3.14Å; R97-K101 VanDerWaalsContact O-CB 3.28Å; R97-K101 WeakPolarHBondContact O-CB 3.33Å; R97-K101 PolarHBondContact O-N 3.23Å; R97-C118 HydrophobicContact CG-CB 4.39Å; R97-E122 HydrophobicContact CG-CB 4Å; R97-E122 IonicContact CZ-OE1 3.78Å; R97-E122 IonicContact NH1-OE1 2.77Å; R97-E122 PolarHBondContact NH1-OE1 3.03Å; R97-A126 HydrophobicContact CB-CB 3.7Å; R97-A126 HydrophobicContact CG-CB 4.19Å; R97-A126 VanDerWaalsContact O-CB 3.31Å; R97-A126 WeakPolarHBondContact O-CB 3.29Å
98A98.5Very high98.3Very high4 Ų423 Ų233%0.03312%0.122CC..Hα-helixtrans-66.8-38.6177.900000111.7A94 G95 E96 G102 L316 S321A94-A98 HydrophobicContact CB-CB 3.56Å; G95-A98 PolarHBondContact O-N 3.49Å; E96-A98 PolarHBondContact O-N 3.06Å; A98-G102 PolarHBondContact O-N 2.89Å; A98-L316 HydrophobicContact CB-CD1 3.56Å; A98-S321 VanDerWaalsContact O-CA 3.3Å; A98-S321 WeakPolarHBondContact O-CA 3.33Å; A98-S321 WeakPolarHBondContact O-CB 3.31Å
99S98.8Very high98.3Very high0 Ų023 Ų230%012%0.121CC..Hα-helixtrans-63.7-49.7175.1-57.80000112.7H88 G95 E96 K101 G102 V103H88-S99 PolarHBondContact CE1-OG 2.8Å; H88-S99 WeakPolarHBondContact ND1-CB 3.48Å; H88-S99 PolarHBondContact ND1-OG 2.94Å; G95-S99 PolarHBondContact O-N 3.02Å; E96-S99 PolarHBondContact O-N 2.73Å; S99-K101 VanDerWaalsContact C-N 3.31Å; S99-K101 PolarHBondContact O-N 3.34Å; S99-G102 PolarHBondContact O-N 3.19Å; S99-V103 WeakPolarHBondContact O-CB 3.49Å; S99-V103 VanDerWaalsContact O-CG2 3.28Å; S99-V103 WeakPolarHBondContact O-CG2 3.37Å; S99-V103 PolarHBondContact O-N 3.05Å
100A98.8Very high98.4Very high2 Ų223.1 Ų23.12%0.01712%0.121CC..Hα-helixtrans-58.1-44.9177.800000111.3E96 V103 A104 Y110 I123E96-A100 WeakPolarHBondContact O-CB 3.49Å; E96-A100 PolarHBondContact O-N 3.04Å; A100-V103 PolarHBondContact O-N 3.19Å; A100-A104 VanDerWaalsContact O-CB 3.26Å; A100-A104 WeakPolarHBondContact O-CB 3.49Å; A100-A104 PolarHBondContact O-N 3.03Å; A100-Y110 HydrophobicContact CB-CD1 4.13Å; A100-Y110 HydrophobicContact CB-CD2 4.45Å; A100-Y110 HydrophobicContact CB-CE1 4.24Å; A100-Y110 HydrophobicContact CB-CG 4.25Å; A100-I123 HydrophobicContact CB-CG2 3.89Å
101K98.7Very high98.4Very high85 Ų8522.8 Ų22.837%0.3712%0.119SC..Hα-helixtrans-61.9-44.1176.1-174.8178.2-178.3-1750113R97 S99 R105 A126R97-K101 VanDerWaalsContact O-CB 3.28Å; R97-K101 WeakPolarHBondContact O-CB 3.33Å; R97-K101 PolarHBondContact O-N 3.23Å; S99-K101 VanDerWaalsContact C-N 3.31Å; S99-K101 PolarHBondContact O-N 3.34Å; K101-R105 VanDerWaalsContact CE-NH2 3.31Å; K101-R105 WeakPolarHBondContact O-CG 3.23Å; K101-R105 PolarHBondContact O-N 3.19Å; K101-A126 WeakPolarHBondContact CA-O 3.45Å; K101-A126 WeakPolarHBondContact CB-O 3.47Å
102G98.7Very high98.5Very high0 Ų022.6 Ų22.60%012%0.117CC..Hα-helixtrans-65.8-42.7178.800000112.4A98 S99 R105 F106 S321A98-G102 PolarHBondContact O-N 2.89Å; S99-G102 PolarHBondContact O-N 3.19Å; G102-R105 PolarHBondContact O-N 2.95Å; G102-F106 PolarHBondContact O-N 3.25Å; G102-F106 VanDerWaalsContact O-N 3.16Å; G102-S321 VanDerWaalsContact CA-O 3.24Å; G102-S321 WeakPolarHBondContact CA-O 3.17Å
103V98.9Very high98.5Very high0 Ų022.6 Ų22.60%012%0.117CC..Hα-helixtrans-65.5-41.7176.4172.30000111.6M82 S99 A100 F106 G107 T108 Y110 V324 F328M82-V103 HydrophobicContact CB-CG2 3.9Å; M82-V103 HydrophobicContact CG-CG2 4.41Å; M82-V103 HydrophobicContact SD-CG2 3.7Å; S99-V103 WeakPolarHBondContact O-CB 3.49Å; S99-V103 VanDerWaalsContact O-CG2 3.28Å; S99-V103 WeakPolarHBondContact O-CG2 3.37Å; S99-V103 PolarHBondContact O-N 3.05Å; A100-V103 PolarHBondContact O-N 3.19Å; V103-F106 PolarHBondContact O-N 3.3Å; V103-G107 PolarHBondContact O-N 3.23Å; V103-T108 HydrophobicContact CG1-CG2 3.72Å; V103-T108 WeakPolarHBondContact CG1-O 3.21Å; V103-T108 PolarHBondContact O-N 3.28Å; V103-Y110 HydrophobicContact CB-CD2 4.36Å; V103-Y110 HydrophobicContact CG2-CD2 4.12Å; V103-V324 HydrophobicContact CG2-CG1 3.97Å; V103-F328 HydrophobicContact CG2-CD2 4.42Å; V103-F328 HydrophobicContact CG2-CE2 3.71Å; V103-F328 HydrophobicContact CG2-CZ 4.2Å
104A98.7Very high98.6Very high31 Ų3119.4 Ų19.426%0.25610%0.098SC..Hα-helixtrans-62.5-42.1175.600000112.2A100 F106 G107 G127 A131A100-A104 VanDerWaalsContact O-CB 3.26Å; A100-A104 WeakPolarHBondContact O-CB 3.49Å; A100-A104 PolarHBondContact O-N 3.03Å; A104-F106 VanDerWaalsContact C-N 3.31Å; A104-F106 PolarHBondContact O-N 3.26Å; A104-G107 PolarHBondContact O-N 3.42Å; A104-G107 VanDerWaalsContact O-N 3.08Å; A104-G127 WeakPolarHBondContact CB-O 3.4Å; A104-A131 HydrophobicContact CB-CB 3.81Å
105R98.6Very high98.6Very high118 Ų11818.2 Ų18.245%0.4459%0.088SC..Hα-helixtrans-62.2-35.6175.3-76.5173.2172-179.4-5.5113.3K101 G102 G107 S321 Q325K101-R105 VanDerWaalsContact CE-NH2 3.31Å; K101-R105 WeakPolarHBondContact O-CG 3.23Å; K101-R105 PolarHBondContact O-N 3.19Å; G102-R105 PolarHBondContact O-N 2.95Å; R105-G107 VanDerWaalsContact C-N 3.33Å; R105-S321 PolarHBondContact NH1-OG 3.37Å; R105-Q325 HydrophobicContact CB-CG 4.34Å
106F98.8Very high98.6Very high8 Ų818.2 Ų18.24%0.0359%0.088CC..Hα-helixtrans-70.6-31.2173.5177.8-100.5000112.2T77 A78 I80 G102 V103 A104 T108 F328 D329 K332T77-F106 WeakPolarHBondContact CB-O 3.37Å; T77-F106 HydrophobicContact CG2-CE1 4.38Å; T77-F106 HydrophobicContact CG2-CE2 4.13Å; T77-F106 HydrophobicContact CG2-CZ 4Å; T77-F106 PolarHBondContact OG1-O 2.88Å; A78-F106 HydrophobicContact CB-CE1 4.19Å; A78-F106 HydrophobicContact CB-CZ 3.83Å; I80-F106 HydrophobicContact CD1-CE1 4.14Å; I80-F106 HydrophobicContact CD1-CZ 3.91Å; I80-F106 HydrophobicContact CG1-CE1 4Å; I80-F106 HydrophobicContact CG1-CZ 4.2Å; G102-F106 PolarHBondContact O-N 3.25Å; G102-F106 VanDerWaalsContact O-N 3.16Å; V103-F106 PolarHBondContact O-N 3.3Å; A104-F106 VanDerWaalsContact C-N 3.31Å; A104-F106 PolarHBondContact O-N 3.26Å; F106-T108 HydrophobicContact CD1-CG2 3.6Å; F106-T108 HydrophobicContact CE1-CG2 4.07Å; F106-F328 HydrophobicContact CB-CB 4.09Å; F106-F328 HydrophobicContact CD1-CB 3.8Å; F106-F328 AromaticContact CD1-CD1 3.98Å; F106-F328 HydrophobicContact CD1-CD1 3.98Å; F106-F328 HydrophobicContact CD1-CG 4.06Å; F106-F328 HydrophobicContact CD2-CB 3.45Å; F106-F328 VanDerWaalsContact CD2-CB 3.45Å; F106-F328 HydrophobicContact CE1-CB 4.04Å; F106-F328 AromaticContact CE1-CD1 3.97Å; F106-F328 HydrophobicContact CE1-CD1 3.97Å; F106-F328 HydrophobicContact CE1-CG 4.37Å; F106-F328 HydrophobicContact CE2-CB 3.72Å; F106-F328 HydrophobicContact CG-CB 3.48Å; F106-F328 VanDerWaalsContact CG-CB 3.48Å; F106-F328 HydrophobicContact CG-CD1 4.5Å; F106-F328 HydrophobicContact CG-CG 4.13Å; F106-F328 HydrophobicContact CZ-CB 4Å; F106-D329 WeakPolarHBondContact CD2-OD1 3.26Å; F106-K332 HydrophobicContact CE2-CB 3.99Å; F106-K332 HydrophobicContact CE2-CD 3.89Å; F106-K332 HydrophobicContact CZ-CB 4.04Å; F106-K332 HydrophobicContact CZ-CD 4.13Å
107G98.6Very high98.6Very high26 Ų2619.5 Ų19.527%0.26810%0.097SC..THydrogen-bonded Turntrans86.453.7-179.400000112.6T77 V103 A104 R105T77-G107 PolarHBondContact N-O 3.3Å; T77-G107 PolarHBondContact OG1-O 3.23Å; V103-G107 PolarHBondContact O-N 3.23Å; A104-G107 PolarHBondContact O-N 3.42Å; A104-G107 VanDerWaalsContact O-N 3.08Å; R105-G107 VanDerWaalsContact C-N 3.33Å
108T98.8Very high98.6Very high1 Ų115.2 Ų15.21%0.0068%0.082CC..SBendtrans-141.8-177.1171.8-163.60000112.5I80 V103 F106 F328I80-T108 WeakPolarHBondContact O-CB 3.46Å; I80-T108 WeakPolarHBondContact O-CG2 3.22Å; I80-T108 PolarHBondContact O-OG1 3.22Å; V103-T108 HydrophobicContact CG1-CG2 3.72Å; V103-T108 WeakPolarHBondContact CG1-O 3.21Å; V103-T108 PolarHBondContact O-N 3.28Å; F106-T108 HydrophobicContact CD1-CG2 3.6Å; F106-T108 HydrophobicContact CE1-CG2 4.07Å; T108-F328 HydrophobicContact CG2-CD1 4.19Å; T108-F328 HydrophobicContact CG2-CE1 3.98Å
109I98.8Very high98.6Very high1 Ų117 Ų171%0.0059%0.093CC..  trans-77127.3-178.4-61.5155.9000111.3F71 L76 I81 M82 P132 W134 L305F71-I109 HydrophobicContact CD1-CD1 4.37Å; L76-I109 HydrophobicContact CD1-CD1 4.01Å; L76-I109 HydrophobicContact CD2-CD1 4.12Å; L76-I109 HydrophobicContact CD2-CG1 3.89Å; I81-I109 HydrophobicContact CB-CB 4.1Å; I81-I109 HydrophobicContact CG2-CB 3.8Å; I81-I109 HydrophobicContact CG2-CD1 3.99Å; I81-I109 HydrophobicContact CG2-CG1 4.3Å; M82-I109 PolarHBondContact N-O 3.32Å; I109-P132 WeakPolarHBondContact CA-O 3.46Å; I109-P132 HydrophobicContact CB-CB 4.35Å; I109-P132 HydrophobicContact CG1-CB 3.64Å; I109-P132 HydrophobicContact CG1-CG 4.43Å; I109-W134 HydrophobicContact CD1-CZ2 3.94Å; I109-W134 HydrophobicContact CG2-CB 4.25Å; I109-W134 HydrophobicContact CG2-CD2 3.9Å; I109-W134 HydrophobicContact CG2-CG 3.69Å; I109-L305 HydrophobicContact CD1-CD1 4.11Å
110Y98.8Very high98.6Very high7 Ų717.1 Ų17.13%0.0279%0.093CC..EExtended strand (participates in β ladder)trans-92.9129.3165.2179.4-104.9000110.4M82 E96 A100 V103 A112 I123 P132 Q133 W134M82-Y110 HydrophobicContact CB-CD2 4.23Å; M82-Y110 HydrophobicContact CE-CE2 4.33Å; M82-Y110 HydrophobicContact CG-CD2 4.28Å; M82-Y110 HydrophobicContact CG-CE2 4.4Å; M82-Y110 HydrophobicContact SD-CD2 3.63Å; M82-Y110 HydrophobicContact SD-CE2 3.5Å; M82-Y110 VanDerWaalsContact SD-CE2 3.5Å; E96-Y110 VanDerWaalsContact CB-OH 3.29Å; E96-Y110 WeakPolarHBondContact CB-OH 3.17Å; E96-Y110 VanDerWaalsContact CG-OH 3.28Å; E96-Y110 WeakPolarHBondContact CG-OH 3.22Å; A100-Y110 HydrophobicContact CB-CD1 4.13Å; A100-Y110 HydrophobicContact CB-CD2 4.45Å; A100-Y110 HydrophobicContact CB-CE1 4.24Å; A100-Y110 HydrophobicContact CB-CG 4.25Å; V103-Y110 HydrophobicContact CB-CD2 4.36Å; V103-Y110 HydrophobicContact CG2-CD2 4.12Å; Y110-A112 HydrophobicContact CD1-CB 4.34Å; Y110-A112 HydrophobicContact CE1-CB 3.77Å; Y110-I123 HydrophobicContact CD1-CG2 3.83Å; Y110-I123 HydrophobicContact CE1-CG2 3.35Å; Y110-P132 PolarHBondContact N-O 3.25Å; Y110-Q133 HydrophobicContact CD1-CG 4.24Å; Y110-Q133 CarbonylContact O-C 3.58Å; Y110-Q133 VanDerWaalsContact O-CA 3.28Å; Y110-Q133 WeakPolarHBondContact O-CA 3.49Å; Y110-W134 PolarHBondContact O-N 3.15Å
111T98.9Very high98.5Very high0 Ų021.2 Ų21.20%011%0.112CC..EExtended strand (participates in β ladder)trans-105.5105.2174.6-45.80000110.1M82 P84 W134 Q136 V162 W251M82-T111 VanDerWaalsContact O-CB 3.26Å; M82-T111 WeakPolarHBondContact O-CB 3.42Å; M82-T111 PolarHBondContact O-OG1 3.05Å; P84-T111 WeakPolarHBondContact CA-O 3.37Å; P84-T111 HydrophobicContact CB-CG2 3.74Å; P84-T111 HydrophobicContact CG-CG2 4Å; T111-W134 HydrophobicContact CG2-CB 3.93Å; T111-Q136 HydrophobicContact CG2-CB 4.06Å; T111-V162 HydrophobicContact CG2-CG2 4.08Å; T111-W251 HydrophobicContact CG2-CH2 4.38Å; T111-W251 HydrophobicContact CG2-CZ3 4.4Å
112A98.8Very high98.5Very high0 Ų020 Ų200%011%0.107CC..EExtended strand (participates in β ladder)trans-71.6134.1178.200000111.2Y110 L120 I123 W134 F135 Q136Y110-A112 HydrophobicContact CD1-CB 4.34Å; Y110-A112 HydrophobicContact CE1-CB 3.77Å; A112-L120 HydrophobicContact CB-CD2 3.83Å; A112-I123 HydrophobicContact CB-CD1 4.33Å; A112-W134 PolarHBondContact N-O 2.79Å; A112-F135 HydrophobicContact CB-CD2 4.24Å; A112-Q136 WeakPolarHBondContact O-CB 3.38Å; A112-Q136 PolarHBondContact O-N 3.06Å
113S98.7Very high98.5Very high3 Ų320 Ų202%0.02111%0.107CC..EExtended strand (participates in β ladder)trans-84.3146175.2175.90000111.8I85 Y115 A116 Q136 I189I85-S113 WeakPolarHBondContact O-CB 3.35Å; S113-Y115 PolarHBondContact O-N 3.11Å; S113-Y115 PolarHBondContact OG-N 3.33Å; S113-A116 WeakPolarHBondContact O-CB 3.44Å; S113-A116 PolarHBondContact O-N 2.93Å; S113-Q136 PolarHBondContact OG-OE1 3.22Å; S113-I189 WeakPolarHBondContact O-CD1 3.17Å
114S98.3Very high98.5Very high0 Ų022.2 Ų22.20%012%0.116CC..THydrogen-bonded Turntrans-57.8-27.5166.6-69.80000112.6F135 Q136 F137 Y138 I189 V190S114-F135 WeakPolarHBondContact OG-CZ 3.36Å; S114-Q136 PolarHBondContact N-O 2.95Å; S114-Q136 PolarHBondContact OG-O 2.81Å; S114-F137 VanDerWaalsContact OG-CA 3.28Å; S114-F137 WeakPolarHBondContact OG-CA 3.34Å; S114-Y138 PolarHBondContact OG-N 3.41Å; S114-I189 WeakPolarHBondContact O-CB 3.34Å; S114-V190 VanDerWaalsContact O-CG1 3.29Å; S114-V190 WeakPolarHBondContact O-CG1 3.47Å
115Y98.1Very high98.4Very high0 Ų028.6 Ų28.60%014%0.14CC..THydrogen-bonded Turntrans-104.532.8-179.2-55.2-26.7000111.8A86 A87 S113 Y138 M187 V190 V204 Y205 S208A86-Y115 HydrophobicContact CB-CD2 4.43Å; A87-Y115 PolarHBondContact N-O 3.39Å; S113-Y115 PolarHBondContact O-N 3.11Å; S113-Y115 PolarHBondContact OG-N 3.33Å; Y115-Y138 HydrophobicContact CD1-CD2 4.41Å; Y115-Y138 AromaticContact CD2-CD2 3.75Å; Y115-Y138 HydrophobicContact CD2-CD2 3.75Å; Y115-Y138 AromaticContact CD2-CE2 3.82Å; Y115-Y138 HydrophobicContact CD2-CE2 3.82Å; Y115-Y138 HydrophobicContact CE1-CD2 4.04Å; Y115-Y138 HydrophobicContact CE1-CG 4.35Å; Y115-Y138 AromaticContact CE2-CD2 3.31Å; Y115-Y138 HydrophobicContact CE2-CD2 3.31Å; Y115-Y138 AromaticContact CE2-CE2 3.53Å; Y115-Y138 HydrophobicContact CE2-CE2 3.53Å; Y115-Y138 AromaticContact CE2-CG 3.96Å; Y115-Y138 HydrophobicContact CE2-CG 3.96Å; Y115-Y138 HydrophobicContact CG-CD2 4.28Å; Y115-Y138 AromaticContact CZ-CD2 3.49Å; Y115-Y138 VanDerWaalsContact CZ-CD2 3.49Å; Y115-Y138 AromaticContact CZ-CG 3.74Å; Y115-M187 HydrophobicContact CD1-SD 3.98Å; Y115-M187 HydrophobicContact CG-SD 3.95Å; Y115-V190 HydrophobicContact CD1-CG1 4.17Å; Y115-V190 HydrophobicContact CD1-CG2 3.69Å; Y115-V190 HydrophobicContact CE1-CG1 4.21Å; Y115-V190 HydrophobicContact CE1-CG2 4.02Å; Y115-V204 HydrophobicContact CD1-CG1 4.32Å; Y115-V204 HydrophobicContact CD2-CG1 3.82Å; Y115-V204 HydrophobicContact CE1-CG1 3.98Å; Y115-V204 HydrophobicContact CE2-CG1 3.41Å; Y115-V204 VanDerWaalsContact CE2-CG1 3.41Å; Y115-V204 HydrophobicContact CG-CG1 4.25Å; Y115-V204 VanDerWaalsContact CZ-CG1 3.49Å; Y115-Y205 HydrophobicContact CE2-CD1 4.16Å; Y115-Y205 AromaticContact CE2-CE1 4Å; Y115-Y205 HydrophobicContact CE2-CE1 4Å; Y115-S208 PolarHBondContact OH-OG 3.28Å
116A98.3Very high98.4Very high0 Ų024.3 Ų24.30%013%0.13CC..  trans-61.9152.5171.300000111.3E96 S113 I123 P188 I189E96-A116 HydrophobicContact CG-CB 3.72Å; E96-A116 VanDerWaalsContact OE1-CA 3.24Å; E96-A116 WeakPolarHBondContact OE1-CA 3.46Å; S113-A116 WeakPolarHBondContact O-CB 3.44Å; S113-A116 PolarHBondContact O-N 2.93Å; A116-I123 HydrophobicContact CB-CD1 4.01Å; A116-P188 WeakPolarHBondContact O-CD 3.35Å; A116-I189 HydrophobicContact CB-CD1 3.78Å
117S97.8Very high98.4Very high27 Ų2724.6 Ų24.619%0.18914%0.135CC..SBendtrans-82.8-14.2170.247.50000114.4G89 E96G89-S117 WeakPolarHBondContact CA-OG 3.46Å; G89-S117 PolarHBondContact N-OG 3.43Å; E96-S117 PolarHBondContact OE1-N 2.91Å; E96-S117 PolarHBondContact OE1-OG 3.35Å; E96-S117 WeakPolarHBondContact OE2-CA 3.47Å; E96-S117 PolarHBondContact OE2-N 3.15Å; E96-S117 PolarHBondContact OE2-OG 2.9Å
118C98.1Very high98.4Very high7 Ų724.8 Ų24.85%0.04714%0.137CC..SBendtrans-106.6161.7173.4-60.70000112E96 R97 E122 I123E96-C118 HydrophobicContact CB-CB 4.21Å; E96-C118 PolarHBondContact OE2-N 3.4Å; E96-C118 VanDerWaalsContact OE2-N 3.1Å; R97-C118 HydrophobicContact CG-CB 4.39Å; C118-E122 WeakPolarHBondContact CA-OE2 3.18Å; C118-E122 HydrophobicContact CB-CB 4.19Å; C118-E122 WeakPolarHBondContact CB-OE2 3.41Å; C118-I123 HydrophobicContact CB-CD1 4.4Å; C118-I123 HydrophobicContact CB-CG1 3.99Å
119T98.3Very high98.1Very high42 Ų4232.3 Ų32.326%0.25817%0.172SC..  trans-74163.3171.381.70000111.5E121 E122 I123 P188T119-E121 VanDerWaalsContact CB-OE2 3.25Å; T119-E121 WeakPolarHBondContact CB-OE2 3.22Å; T119-E121 PolarHBondContact O-N 3.46Å; T119-E121 PolarHBondContact OG1-N 2.9Å; T119-E121 PolarHBondContact OG1-OE2 3.16Å; T119-E122 PolarHBondContact N-OE2 2.83Å; T119-E122 PolarHBondContact O-N 2.77Å; T119-E122 PolarHBondContact OG1-N 3.48Å; T119-I123 WeakPolarHBondContact O-CD1 3.32Å; T119-I123 WeakPolarHBondContact O-CG1 3.41Å; T119-I123 PolarHBondContact O-N 2.95Å; T119-I123 VanDerWaalsContact O-N 3.1Å; T119-P188 HydrophobicContact CG2-CB 4.06Å; T119-P188 HydrophobicContact CG2-CG 4.21Å
120L98.3Very high97.8Very high1 Ų139.3 Ų39.31%0.00521%0.21CC..Hα-helixtrans-65.3-30.9175.6-73.5176.9000112.3A112 R124 F135 M152 A153 N156 I189A112-L120 HydrophobicContact CB-CD2 3.83Å; L120-R124 WeakPolarHBondContact O-CB 3.44Å; L120-R124 PolarHBondContact O-N 2.87Å; L120-F135 HydrophobicContact CD1-CD2 4.28Å; L120-F135 HydrophobicContact CD1-CE2 4.19Å; L120-F135 HydrophobicContact CD2-CD2 3.9Å; L120-F135 HydrophobicContact CD2-CE2 4.12Å; L120-M152 HydrophobicContact CD1-CE 4.09Å; L120-M152 HydrophobicContact CD1-CG 4.05Å; L120-A153 HydrophobicContact CD1-CB 4.27Å; L120-N156 HydrophobicContact CB-CB 3.87Å; L120-I189 HydrophobicContact CD2-CD1 3.74Å; L120-I189 HydrophobicContact CG-CD1 3.71Å; L120-I189 HydrophobicContact CG-CG1 4.05Å
121E98.1Very high97.7Very high89 Ų8940 Ų4042%0.41622%0.217SC..Hα-helixtrans-65.4-47.9175.7-62.369-155.600110.9T119 I123 R124 E125 N156T119-E121 VanDerWaalsContact CB-OE2 3.25Å; T119-E121 WeakPolarHBondContact CB-OE2 3.22Å; T119-E121 PolarHBondContact O-N 3.46Å; T119-E121 PolarHBondContact OG1-N 2.9Å; T119-E121 PolarHBondContact OG1-OE2 3.16Å; E121-I123 VanDerWaalsContact C-N 3.31Å; E121-I123 PolarHBondContact O-N 2.69Å; E121-R124 PolarHBondContact O-N 3.38Å; E121-E125 WeakPolarHBondContact O-CB 3.44Å; E121-E125 PolarHBondContact O-N 3.23Å; E121-N156 VanDerWaalsContact CA-OD1 3.25Å; E121-N156 WeakPolarHBondContact CA-OD1 3.19Å; E121-N156 WeakPolarHBondContact CG-OD1 3.39Å; E121-N156 PolarHBondContact N-OD1 2.63Å; E121-N156 PolarHBondContact OE1-ND2 3.25Å
122E98.5Very high97.6Very high58 Ų5840.7 Ų40.727%0.27122%0.221SC..Hα-helixtrans-61.4-41.2177.3-73.5-176.9120.600111.9R97 C118 T119 A126R97-E122 HydrophobicContact CG-CB 4Å; R97-E122 IonicContact CZ-OE1 3.78Å; R97-E122 IonicContact NH1-OE1 2.77Å; R97-E122 PolarHBondContact NH1-OE1 3.03Å; C118-E122 WeakPolarHBondContact CA-OE2 3.18Å; C118-E122 HydrophobicContact CB-CB 4.19Å; C118-E122 WeakPolarHBondContact CB-OE2 3.41Å; T119-E122 PolarHBondContact N-OE2 2.83Å; T119-E122 PolarHBondContact O-N 2.77Å; T119-E122 PolarHBondContact OG1-N 3.48Å; E122-A126 WeakPolarHBondContact O-CB 3.33Å; E122-A126 PolarHBondContact O-N 3.27Å; E122-A126 VanDerWaalsContact O-N 3.09Å
123I98.6Very high97.6Very high0 Ų041 Ų410%022%0.223CC..Hα-helixtrans-63.9-47.5176.7-68.2170.8000109.9E96 A100 Y110 A112 A116 C118 T119 E121 A126 G127E96-I123 HydrophobicContact CB-CD1 3.67Å; E96-I123 HydrophobicContact CB-CG1 3.64Å; E96-I123 HydrophobicContact CG-CD1 4.17Å; A100-I123 HydrophobicContact CB-CG2 3.89Å; Y110-I123 HydrophobicContact CD1-CG2 3.83Å; Y110-I123 HydrophobicContact CE1-CG2 3.35Å; A112-I123 HydrophobicContact CB-CD1 4.33Å; A116-I123 HydrophobicContact CB-CD1 4.01Å; C118-I123 HydrophobicContact CB-CD1 4.4Å; C118-I123 HydrophobicContact CB-CG1 3.99Å; T119-I123 WeakPolarHBondContact O-CD1 3.32Å; T119-I123 WeakPolarHBondContact O-CG1 3.41Å; T119-I123 PolarHBondContact O-N 2.95Å; T119-I123 VanDerWaalsContact O-N 3.1Å; E121-I123 VanDerWaalsContact C-N 3.31Å; E121-I123 PolarHBondContact O-N 2.69Å; I123-A126 PolarHBondContact O-N 3.23Å; I123-G127 PolarHBondContact O-N 3.32Å
124R98.2Very high97.6Very high48 Ų4841.1 Ų41.118%0.18122%0.223CC..Hα-helixtrans-63.4-44.5-179.5179.255.4170.4-176.1-5.1111.9L120 E121 A126 G127 G128 E129 A131 N156L120-R124 WeakPolarHBondContact O-CB 3.44Å; L120-R124 PolarHBondContact O-N 2.87Å; E121-R124 PolarHBondContact O-N 3.38Å; R124-A126 VanDerWaalsContact C-N 3.32Å; R124-A126 PolarHBondContact O-N 2.89Å; R124-G127 PolarHBondContact O-N 2.79Å; R124-G128 PolarHBondContact NH1-O 2.91Å; R124-G128 PolarHBondContact O-N 3.01Å; R124-E129 VanDerWaalsContact CZ-CA 3.48Å; R124-E129 PolarHBondContact NH1-O 3.5Å; R124-E129 VanDerWaalsContact NH1-O 3.1Å; R124-E129 PolarHBondContact NH2-O 2.88Å; R124-A131 PolarHBondContact NH1-O 2.85Å; R124-N156 HydrophobicContact CB-CB 4.49Å; R124-N156 WeakPolarHBondContact CD-O 3.31Å
125E98.2Very high97.6Very high164 Ų16441.1 Ų41.177%0.76622%0.223SC*.Hα-helixtrans-58.6-44.6175.5-177.3-178.1-179.200111.2E121E121-E125 WeakPolarHBondContact O-CB 3.44Å; E121-E125 PolarHBondContact O-N 3.23Å
126A98.3Very high97.7Very high28 Ų2841.3 Ų41.323%0.23122%0.223CC..Hα-helixtrans-71.5-35-177.800000113.8R97 K101 E122 I123 R124R97-A126 HydrophobicContact CB-CB 3.7Å; R97-A126 HydrophobicContact CG-CB 4.19Å; R97-A126 VanDerWaalsContact O-CB 3.31Å; R97-A126 WeakPolarHBondContact O-CB 3.29Å; K101-A126 WeakPolarHBondContact CA-O 3.45Å; K101-A126 WeakPolarHBondContact CB-O 3.47Å; E122-A126 WeakPolarHBondContact O-CB 3.33Å; E122-A126 PolarHBondContact O-N 3.27Å; E122-A126 VanDerWaalsContact O-N 3.09Å; I123-A126 PolarHBondContact O-N 3.23Å; R124-A126 VanDerWaalsContact C-N 3.32Å; R124-A126 PolarHBondContact O-N 2.89Å
127G98.3Very high97.7Very high14 Ų1441.3 Ų41.314%0.14422%0.223CC..Hα-helixtrans-77.5-30.3176.100000113.7A104 I123 R124 A131A104-G127 WeakPolarHBondContact CB-O 3.4Å; I123-G127 PolarHBondContact O-N 3.32Å; R124-G127 PolarHBondContact O-N 2.79Å; G127-A131 VanDerWaalsContact O-CB 3.28Å; G127-A131 WeakPolarHBondContact O-CB 3.34Å
128G97.4Very high97.7Very high30 Ų3040.6 Ų40.631%0.30922%0.217SC..  trans92.4160.4-17500000113.3R124 D130 A131R124-G128 PolarHBondContact NH1-O 2.91Å; R124-G128 PolarHBondContact O-N 3.01Å; G128-D130 VanDerWaalsContact C-N 3.34Å; G128-D130 PolarHBondContact O-N 3.34Å; G128-A131 PolarHBondContact O-N 2.99Å
129E93.4Very high97.7Very high159 Ų15940.5 Ų40.574%0.74322%0.216SC*.SBendtrans-70.9-27.8-172.6-65.3-171.1168.600113.6R124R124-E129 VanDerWaalsContact CZ-CA 3.48Å; R124-E129 PolarHBondContact NH1-O 3.5Å; R124-E129 VanDerWaalsContact NH1-O 3.1Å; R124-E129 PolarHBondContact NH2-O 2.88Å
130D92.7Very high97.7Very high149 Ų14938.8 Ų38.880%0.79721%0.205SC*.SBendtrans-89.3-15.1-178.5-59.3-44.5000112.7G128G128-D130 VanDerWaalsContact C-N 3.34Å; G128-D130 PolarHBondContact O-N 3.34Å
131A96.5Very high97.6Very high21 Ų2144.1 Ų44.117%0.17423%0.229CC..SBendtrans-67.6128.4-178.200000110.9A104 R124 G127 G128 Q133A104-A131 HydrophobicContact CB-CB 3.81Å; R124-A131 PolarHBondContact NH1-O 2.85Å; G127-A131 VanDerWaalsContact O-CB 3.28Å; G127-A131 WeakPolarHBondContact O-CB 3.34Å; G128-A131 PolarHBondContact O-N 2.99Å; A131-Q133 PolarHBondContact O-N 2.92Å
132P97.6Very high97.5Very high14 Ų1444 Ų449%0.09123%0.231CC..  trans-63.9126.3176.4-20.331.6000111.2E74 I109 Y110E74-P132 HydrophobicContact CB-CG 4.05Å; E74-P132 HydrophobicContact CG-CB 4.02Å; E74-P132 HydrophobicContact CG-CG 3.92Å; E74-P132 WeakPolarHBondContact OE2-CG 3.48Å; I109-P132 WeakPolarHBondContact CA-O 3.46Å; I109-P132 HydrophobicContact CB-CB 4.35Å; I109-P132 HydrophobicContact CG1-CB 3.64Å; I109-P132 HydrophobicContact CG1-CG 4.43Å; Y110-P132 PolarHBondContact N-O 3.25Å
133Q98.4Very high97.5Very high7 Ų744.9 Ų44.93%0.03324%0.237CC..EExtended strand (participates in β ladder)trans-129.3133.4178-177.2169.5-73.300111Y110 A131 A158 K159Y110-Q133 HydrophobicContact CD1-CG 4.24Å; Y110-Q133 CarbonylContact O-C 3.58Å; Y110-Q133 VanDerWaalsContact O-CA 3.28Å; Y110-Q133 WeakPolarHBondContact O-CA 3.49Å; A131-Q133 PolarHBondContact O-N 2.92Å; Q133-A158 CarbonylContact O-C 3.53Å; Q133-A158 WeakPolarHBondContact O-CA 3.49Å; Q133-K159 PolarHBondContact O-N 2.59Å
134W98.8Very high97.4Very high5 Ų546.3 Ų46.32%0.01925%0.252CS..EExtended strand (participates in β ladder)trans-108160.5168.3-69.25.7000110F71 I81 I109 Y110 T111 A112 A160 V162 Y229 W251 V284 L305F71-W134 HydrophobicContact CD1-CH2 4.47Å; F71-W134 HydrophobicContact CD1-CZ2 4.02Å; F71-W134 AromaticContact CE1-CH2 3.66Å; F71-W134 HydrophobicContact CE1-CH2 3.66Å; F71-W134 AromaticContact CE1-CZ2 3.51Å; F71-W134 HydrophobicContact CE1-CZ2 3.51Å; F71-W134 HydrophobicContact CZ-CH2 4.18Å; F71-W134 HydrophobicContact CZ-CZ2 4.46Å; I81-W134 HydrophobicContact CD1-CZ3 4.28Å; I109-W134 HydrophobicContact CD1-CZ2 3.94Å; I109-W134 HydrophobicContact CG2-CB 4.25Å; I109-W134 HydrophobicContact CG2-CD2 3.9Å; I109-W134 HydrophobicContact CG2-CG 3.69Å; Y110-W134 PolarHBondContact O-N 3.15Å; T111-W134 HydrophobicContact CG2-CB 3.93Å; A112-W134 PolarHBondContact N-O 2.79Å; W134-A160 HydrophobicContact CD2-CB 3.79Å; W134-A160 HydrophobicContact CE3-CB 4.42Å; W134-A160 HydrophobicContact CG-CB 3.81Å; W134-A160 HydrophobicContact CZ2-CB 4.4Å; W134-V162 HydrophobicContact CE3-CG2 3.79Å; W134-V162 HydrophobicContact CZ3-CG2 4.47Å; W134-Y229 HydrophobicContact CH2-CD1 4.46Å; W134-Y229 HydrophobicContact CH2-CD2 4.11Å; W134-Y229 AromaticContact CH2-CE1 3.97Å; W134-Y229 HydrophobicContact CH2-CE1 3.97Å; W134-Y229 AromaticContact CH2-CE2 3.6Å; W134-Y229 HydrophobicContact CH2-CE2 3.6Å; W134-Y229 AromaticContact CH2-CZ 3.54Å; W134-Y229 HydrophobicContact CZ2-CE2 4.02Å; W134-Y229 HydrophobicContact CZ3-CD1 4.32Å; W134-Y229 AromaticContact CZ3-CD2 3.98Å; W134-Y229 HydrophobicContact CZ3-CD2 3.98Å; W134-Y229 HydrophobicContact CZ3-CE1 4.29Å; W134-Y229 AromaticContact CZ3-CE2 3.96Å; W134-Y229 HydrophobicContact CZ3-CE2 3.96Å; W134-Y229 HydrophobicContact CZ3-CG 4.19Å; W134-W251 AromaticContact CE3-CZ3 3.99Å; W134-W251 HydrophobicContact CE3-CZ3 3.99Å; W134-W251 HydrophobicContact CZ3-CE3 4.37Å; W134-W251 AromaticContact CZ3-CZ3 3.98Å; W134-W251 HydrophobicContact CZ3-CZ3 3.98Å; W134-V284 HydrophobicContact CH2-CG2 4.09Å; W134-V284 HydrophobicContact CZ3-CG2 4Å; W134-L305 HydrophobicContact CH2-CD1 4.28Å
135F98.8Very high97.4Very high0 Ų045.7 Ų45.70%025%0.252CS..EExtended strand (participates in β ladder)trans-122.4117.7176177.9-112.5000111.2A112 S114 L120 F137 I149 A153 A158 A160 I161 V162 I189A112-F135 HydrophobicContact CB-CD2 4.24Å; S114-F135 WeakPolarHBondContact OG-CZ 3.36Å; L120-F135 HydrophobicContact CD1-CD2 4.28Å; L120-F135 HydrophobicContact CD1-CE2 4.19Å; L120-F135 HydrophobicContact CD2-CD2 3.9Å; L120-F135 HydrophobicContact CD2-CE2 4.12Å; F135-F137 HydrophobicContact CD1-CB 4.25Å; F135-F137 HydrophobicContact CE1-CB 3.98Å; F135-F137 AromaticContact CE1-CD2 3.68Å; F135-F137 HydrophobicContact CE1-CD2 3.68Å; F135-F137 HydrophobicContact CE1-CG 4.14Å; F135-F137 HydrophobicContact CZ-CD2 4.31Å; F135-I149 HydrophobicContact CE1-CG2 3.63Å; F135-I149 HydrophobicContact CZ-CG2 3.64Å; F135-A153 HydrophobicContact CB-CB 3.87Å; F135-A153 HydrophobicContact CD1-CB 3.49Å; F135-A153 VanDerWaalsContact CD1-CB 3.49Å; F135-A153 HydrophobicContact CD2-CB 4.44Å; F135-A153 HydrophobicContact CE1-CB 4.12Å; F135-A153 HydrophobicContact CG-CB 3.67Å; F135-A158 HydrophobicContact CB-CB 3.93Å; F135-A160 PolarHBondContact N-O 3.1Å; F135-I161 HydrophobicContact CB-CD1 4.19Å; F135-I161 HydrophobicContact CD1-CD1 4.12Å; F135-I161 CarbonylContact O-C 3.53Å; F135-I161 WeakPolarHBondContact O-CA 3.47Å; F135-V162 PolarHBondContact O-N 3.04Å; F135-I189 HydrophobicContact CE2-CD1 4.46Å; F135-I189 HydrophobicContact CE2-CG2 4.02Å; F135-I189 HydrophobicContact CZ-CG2 3.95Å
136Q98.8Very high97.4Very high4 Ų437.9 Ų37.92%0.01922%0.215CC..EExtended strand (participates in β ladder)trans-81.9125.2171.1-178.7-80.6-51.900110.7P84 T111 A112 S113 S114 Y138 V162 T164P84-Q136 HydrophobicContact CB-CB 3.29Å; P84-Q136 HydrophobicContact CB-CG 3.58Å; P84-Q136 HydrophobicContact CG-CB 3.76Å; P84-Q136 HydrophobicContact CG-CG 3.66Å; T111-Q136 HydrophobicContact CG2-CB 4.06Å; A112-Q136 WeakPolarHBondContact O-CB 3.38Å; A112-Q136 PolarHBondContact O-N 3.06Å; S113-Q136 PolarHBondContact OG-OE1 3.22Å; S114-Q136 PolarHBondContact N-O 2.95Å; S114-Q136 PolarHBondContact OG-O 2.81Å; Q136-Y138 VanDerWaalsContact NE2-CD2 3.29Å; Q136-V162 CarbonylContact C-O 3.55Å; Q136-V162 WeakPolarHBondContact CA-O 3.35Å; Q136-V162 HydrophobicContact CB-CB 4.13Å; Q136-V162 HydrophobicContact CG-CB 4.33Å; Q136-V162 HydrophobicContact CG-CG1 4.38Å; Q136-T164 VanDerWaalsContact CD-OG1 3.25Å; Q136-T164 WeakPolarHBondContact CG-OG1 3.31Å; Q136-T164 VanDerWaalsContact NE2-CB 3.31Å; Q136-T164 PolarHBondContact NE2-OG1 3.19Å
137F98.3Very high97.4Very high0 Ų039.7 Ų39.70%022%0.219CC..EExtended strand (participates in β ladder)trans-110.6120.7-171-169.9-143.4000112S114 F135 M139 N146 I149 L150 I161 V162 T164 I220S114-F137 VanDerWaalsContact OG-CA 3.28Å; S114-F137 WeakPolarHBondContact OG-CA 3.34Å; F135-F137 HydrophobicContact CD1-CB 4.25Å; F135-F137 HydrophobicContact CE1-CB 3.98Å; F135-F137 AromaticContact CE1-CD2 3.68Å; F135-F137 HydrophobicContact CE1-CD2 3.68Å; F135-F137 HydrophobicContact CE1-CG 4.14Å; F135-F137 HydrophobicContact CZ-CD2 4.31Å; F137-M139 HydrophobicContact CD1-CG 3.88Å; F137-M139 HydrophobicContact CE1-CB 4.47Å; F137-M139 HydrophobicContact CE1-CE 4.42Å; F137-M139 HydrophobicContact CE1-CG 3.58Å; F137-M139 HydrophobicContact CZ-CG 4.12Å; F137-N146 HydrophobicContact CE1-CB 4.39Å; F137-N146 HydrophobicContact CZ-CB 3.78Å; F137-N146 WeakPolarHBondContact CZ-OD1 3.25Å; F137-I149 HydrophobicContact CD2-CG2 4Å; F137-I149 HydrophobicContact CE2-CB 4.06Å; F137-I149 HydrophobicContact CE2-CD1 4.41Å; F137-I149 HydrophobicContact CE2-CG2 3.68Å; F137-L150 HydrophobicContact CD1-CD2 3.87Å; F137-L150 HydrophobicContact CD1-CG 4.47Å; F137-L150 HydrophobicContact CE1-CD1 4.18Å; F137-L150 HydrophobicContact CE1-CD2 3.9Å; F137-L150 HydrophobicContact CE1-CG 3.99Å; F137-L150 HydrophobicContact CG-CD2 4.31Å; F137-L150 HydrophobicContact CZ-CD2 4.37Å; F137-L150 HydrophobicContact CZ-CG 4.17Å; F137-I161 HydrophobicContact CB-CG2 3.8Å; F137-I161 HydrophobicContact CD1-CG2 4.47Å; F137-V162 PolarHBondContact N-O 3.18Å; F137-T164 PolarHBondContact O-N 3.12Å; F137-I220 HydrophobicContact CD1-CD1 3.82Å; F137-I220 HydrophobicContact CD1-CG1 4.06Å; F137-I220 HydrophobicContact CE1-CD1 4.21Å; F137-I220 HydrophobicContact CE1-CG1 4.09Å
138Y98.2Very high97.4Very high13 Ų1344.3 Ų44.35%0.05124%0.24CC..PPolyproline II helixtrans-100.6120.4159.2-79.4-64.5000108.9S114 Y115 Q136 T164 A167 Y193 Y205 H255S114-Y138 PolarHBondContact OG-N 3.41Å; Y115-Y138 HydrophobicContact CD1-CD2 4.41Å; Y115-Y138 AromaticContact CD2-CD2 3.75Å; Y115-Y138 HydrophobicContact CD2-CD2 3.75Å; Y115-Y138 AromaticContact CD2-CE2 3.82Å; Y115-Y138 HydrophobicContact CD2-CE2 3.82Å; Y115-Y138 HydrophobicContact CE1-CD2 4.04Å; Y115-Y138 HydrophobicContact CE1-CG 4.35Å; Y115-Y138 AromaticContact CE2-CD2 3.31Å; Y115-Y138 HydrophobicContact CE2-CD2 3.31Å; Y115-Y138 AromaticContact CE2-CE2 3.53Å; Y115-Y138 HydrophobicContact CE2-CE2 3.53Å; Y115-Y138 AromaticContact CE2-CG 3.96Å; Y115-Y138 HydrophobicContact CE2-CG 3.96Å; Y115-Y138 HydrophobicContact CG-CD2 4.28Å; Y115-Y138 AromaticContact CZ-CD2 3.49Å; Y115-Y138 VanDerWaalsContact CZ-CD2 3.49Å; Y115-Y138 AromaticContact CZ-CG 3.74Å; Q136-Y138 VanDerWaalsContact NE2-CD2 3.29Å; Y138-T164 HydrophobicContact CE1-CG2 3.76Å; Y138-T164 WeakPolarHBondContact OH-CG2 3.49Å; Y138-A167 HydrophobicContact CE1-CB 3.97Å; Y138-Y193 PolarHBondContact O-OH 2.99Å; Y138-Y205 HydrophobicContact CE1-CD1 4.43Å; Y138-Y205 HydrophobicContact CE1-CE1 4.01Å; Y138-Y205 HydrophobicContact CE2-CE1 4.25Å; Y138-Y205 AromaticContact CZ-CE1 3.68Å; Y138-Y205 WeakPolarHBondContact OH-CE1 3.44Å; Y138-H255 PolarHBondContact OH-CE1 3.36Å
139M98Very high97.4Very high4 Ų443.2 Ų43.22%0.0223%0.227CC..PPolyproline II helixtrans-73.4138.2-176.3-63.1-17581.500111.4F137 L163 S208 K209 L212 D216 F219 I220F137-M139 HydrophobicContact CD1-CG 3.88Å; F137-M139 HydrophobicContact CE1-CB 4.47Å; F137-M139 HydrophobicContact CE1-CE 4.42Å; F137-M139 HydrophobicContact CE1-CG 3.58Å; F137-M139 HydrophobicContact CZ-CG 4.12Å; M139-L163 HydrophobicContact CG-CD1 3.94Å; M139-L163 HydrophobicContact SD-CD1 4.02Å; M139-S208 CarbonylContact O-C 3.51Å; M139-S208 VanDerWaalsContact O-CA 3.28Å; M139-S208 WeakPolarHBondContact O-CA 3.39Å; M139-S208 VanDerWaalsContact O-CB 3.31Å; M139-S208 WeakPolarHBondContact O-CB 3.22Å; M139-K209 HydrophobicContact CB-CB 3.97Å; M139-K209 HydrophobicContact CB-CD 4.35Å; M139-K209 PolarHBondContact O-N 3.47Å; M139-L212 HydrophobicContact CB-CD2 4.36Å; M139-L212 HydrophobicContact CG-CD2 4.27Å; M139-L212 HydrophobicContact SD-CD2 3.64Å; M139-D216 HydrophobicContact CE-CB 4.01Å; M139-D216 WeakPolarHBondContact CE-OD1 3.42Å; M139-D216 HydrophobicContact SD-CB 3.63Å; M139-F219 HydrophobicContact CE-CD1 4.04Å; M139-F219 HydrophobicContact CE-CE1 4.36Å; M139-I220 HydrophobicContact CE-CD1 4.45Å; M139-I220 HydrophobicContact CE-CG1 4.45Å; M139-I220 HydrophobicContact CG-CD1 4.5Å; M139-I220 HydrophobicContact SD-CD1 4.04Å
140S97.5Very high97.6Very high6 Ų635.7 Ų35.74%0.04219%0.192CC..BIsolated β-bridgetrans-68.7159.2156.4-179.20000110.1D142 N146S140-D142 PolarHBondContact O-N 2.86Å; S140-D142 PolarHBondContact OG-N 3.41Å; S140-D142 VanDerWaalsContact OG-N 3.1Å; S140-N146 WeakPolarHBondContact CA-OD1 3.48Å; S140-N146 VanDerWaalsContact CB-OD1 3.28Å; S140-N146 WeakPolarHBondContact CB-OD1 3.39Å; S140-N146 PolarHBondContact N-OD1 2.8Å; S140-N146 PolarHBondContact O-ND2 3.33Å
141K96.8Very high97.9Very high114 Ų11430 Ų3050%0.49616%0.164SC..SBendtrans-69.1-19.3167.7-61.6177-179.5650112G206 S207 S208 K209 Q210K141-G206 PolarHBondContact NZ-O 3.48Å; K141-S207 PolarHBondContact NZ-O 3.04Å; K141-S208 PolarHBondContact NZ-O 3.28Å; K141-K209 HydrophobicContact CG-CB 4.48Å; K141-Q210 VanDerWaalsContact NZ-OE1 3.13Å
142D97.5Very high97.9Very high85 Ų8530.7 Ų30.746%0.45516%0.164SC..  trans-97.9124.8-179.5-173.5-69.1000111.5S140 G144 I145 N146S140-D142 PolarHBondContact O-N 2.86Å; S140-D142 PolarHBondContact OG-N 3.41Å; S140-D142 VanDerWaalsContact OG-N 3.1Å; D142-G144 VanDerWaalsContact OD1-CA 3.3Å; D142-G144 WeakPolarHBondContact OD1-CA 3.18Å; D142-G144 PolarHBondContact OD1-N 3.36Å; D142-I145 HydrophobicContact CB-CB 4.21Å; D142-I145 HydrophobicContact CB-CD1 3.93Å; D142-I145 HydrophobicContact CB-CG1 4.01Å; D142-I145 PolarHBondContact OD1-N 2.75Å; D142-N146 PolarHBondContact O-N 3.25Å; D142-N146 VanDerWaalsContact O-N 3.15Å; D142-N146 PolarHBondContact O-ND2 2.85Å; D142-N146 VanDerWaalsContact O-ND2 3.08Å
143N96.5Very high98Very high78 Ų7830.1 Ų30.142%0.41716%0.16SC..Hα-helixtrans-71.1-31-178.3-77.1-4000113.5N146 Q147 F219N143-N146 WeakPolarHBondContact O-CB 3.31Å; N143-N146 PolarHBondContact O-N 2.81Å; N143-Q147 VanDerWaalsContact O-CG 3.26Å; N143-Q147 WeakPolarHBondContact O-CG 3.29Å; N143-Q147 PolarHBondContact O-N 2.99Å; N143-F219 HydrophobicContact CB-CE2 4.25Å; N143-F219 HydrophobicContact CB-CZ 4.17Å
144G97.7Very high97.9Very high29 Ų2934.1 Ų34.130%0.29918%0.178SC..Hα-helixtrans-64.9-45.1175.600000111.1D142 N146 Q147 D148D142-G144 VanDerWaalsContact OD1-CA 3.3Å; D142-G144 WeakPolarHBondContact OD1-CA 3.18Å; D142-G144 PolarHBondContact OD1-N 3.36Å; G144-N146 VanDerWaalsContact C-N 3.27Å; G144-N146 PolarHBondContact O-N 2.79Å; G144-Q147 WeakPolarHBondContact O-CB 3.29Å; G144-Q147 PolarHBondContact O-N 3Å; G144-Q147 VanDerWaalsContact O-N 3.16Å; G144-D148 PolarHBondContact O-N 3.11Å
145I97.7Very high97.8Very high35 Ų3542.9 Ų42.918%0.17921%0.211CC..Hα-helixtrans-59.4-41.1173.4-63.7-179.8000111.1D142 Q147 D148 I149 A192 Y193D142-I145 HydrophobicContact CB-CB 4.21Å; D142-I145 HydrophobicContact CB-CD1 3.93Å; D142-I145 HydrophobicContact CB-CG1 4.01Å; D142-I145 PolarHBondContact OD1-N 2.75Å; I145-Q147 PolarHBondContact O-N 2.93Å; I145-D148 PolarHBondContact O-N 2.96Å; I145-I149 HydrophobicContact CG2-CD1 3.9Å; I145-I149 WeakPolarHBondContact O-CG1 3.26Å; I145-I149 PolarHBondContact O-N 2.89Å; I145-I149 VanDerWaalsContact O-N 3.09Å; I145-A192 HydrophobicContact CD1-CB 4.19Å; I145-A192 HydrophobicContact CG1-CB 4.42Å; I145-A192 HydrophobicContact CG2-CB 4.02Å; I145-Y193 HydrophobicContact CG2-CD1 3.75Å; I145-Y193 HydrophobicContact CG2-CE1 4.28Å
146N98.3Very high97.7Very high0 Ų043.6 Ų43.60%022%0.215CC..Hα-helixtrans-62.6-42.4177.3-67.7-30.6000112F137 S140 D142 N143 G144 D148 I149 L150 F219F137-N146 HydrophobicContact CE1-CB 4.39Å; F137-N146 HydrophobicContact CZ-CB 3.78Å; F137-N146 WeakPolarHBondContact CZ-OD1 3.25Å; S140-N146 WeakPolarHBondContact CA-OD1 3.48Å; S140-N146 VanDerWaalsContact CB-OD1 3.28Å; S140-N146 WeakPolarHBondContact CB-OD1 3.39Å; S140-N146 PolarHBondContact N-OD1 2.8Å; S140-N146 PolarHBondContact O-ND2 3.33Å; D142-N146 PolarHBondContact O-N 3.25Å; D142-N146 VanDerWaalsContact O-N 3.15Å; D142-N146 PolarHBondContact O-ND2 2.85Å; D142-N146 VanDerWaalsContact O-ND2 3.08Å; N143-N146 WeakPolarHBondContact O-CB 3.31Å; N143-N146 PolarHBondContact O-N 2.81Å; G144-N146 VanDerWaalsContact C-N 3.27Å; G144-N146 PolarHBondContact O-N 2.79Å; N146-D148 VanDerWaalsContact C-N 3.35Å; N146-D148 PolarHBondContact O-N 3.2Å; N146-I149 PolarHBondContact O-N 3.44Å; N146-L150 WeakPolarHBondContact O-CB 3.31Å; N146-L150 VanDerWaalsContact O-CG 3.28Å; N146-L150 WeakPolarHBondContact O-CG 3.12Å; N146-L150 PolarHBondContact O-N 3.19Å; N146-F219 HydrophobicContact CB-CE1 3.89Å; N146-F219 HydrophobicContact CB-CZ 4.23Å
147Q98.1Very high97.6Very high67 Ų6744.4 Ų44.431%0.31322%0.224SC..Hα-helixtrans-61-42.8176.5-74.8175.9-16.800112N143 G144 I145 L150 S151 F219 Y223N143-Q147 VanDerWaalsContact O-CG 3.26Å; N143-Q147 WeakPolarHBondContact O-CG 3.29Å; N143-Q147 PolarHBondContact O-N 2.99Å; G144-Q147 WeakPolarHBondContact O-CB 3.29Å; G144-Q147 PolarHBondContact O-N 3Å; G144-Q147 VanDerWaalsContact O-N 3.16Å; I145-Q147 PolarHBondContact O-N 2.93Å; Q147-L150 PolarHBondContact O-N 2.82Å; Q147-S151 WeakPolarHBondContact O-CB 3.4Å; Q147-S151 PolarHBondContact O-N 3.39Å; Q147-S151 PolarHBondContact O-OG 3.49Å; Q147-F219 HydrophobicContact CG-CE2 4.41Å; Q147-F219 HydrophobicContact CG-CZ 3.83Å; Q147-Y223 HydrophobicContact CB-CD1 4.29Å; Q147-Y223 HydrophobicContact CB-CE1 3.63Å; Q147-Y223 HydrophobicContact CB-CE2 3.94Å; Q147-Y223 VanDerWaalsContact CB-CZ 3.43Å; Q147-Y223 HydrophobicContact CG-CD1 4.08Å; Q147-Y223 HydrophobicContact CG-CD2 3.75Å; Q147-Y223 HydrophobicContact CG-CE1 3.82Å; Q147-Y223 HydrophobicContact CG-CE2 3.44Å; Q147-Y223 VanDerWaalsContact CG-CE2 3.44Å; Q147-Y223 HydrophobicContact CG-CG 4.06Å; Q147-Y223 VanDerWaalsContact CG-CZ 3.5Å; Q147-Y223 VanDerWaalsContact O-CE1 3.24Å; Q147-Y223 WeakPolarHBondContact O-CE1 3.29Å
148D97.7Very high97.6Very high111 Ų11144.7 Ų44.759%0.59423%0.226SC*.Hα-helixtrans-63.9-44.2178.4-71.8-25.1000111.7G144 I145 N146 S151 M152G144-D148 PolarHBondContact O-N 3.11Å; I145-D148 PolarHBondContact O-N 2.96Å; N146-D148 VanDerWaalsContact C-N 3.35Å; N146-D148 PolarHBondContact O-N 3.2Å; D148-S151 PolarHBondContact O-N 3.47Å; D148-M152 WeakPolarHBondContact O-CB 3.35Å; D148-M152 PolarHBondContact O-N 3.28Å
149I98.2Very high97.6Very high7 Ų747.5 Ų47.54%0.03624%0.239CC..Hα-helixtrans-66.1-44.7178.7-66.4169.9000111.2F135 F137 I145 N146 S151 M152 A153 I189 V190 Y193F135-I149 HydrophobicContact CE1-CG2 3.63Å; F135-I149 HydrophobicContact CZ-CG2 3.64Å; F137-I149 HydrophobicContact CD2-CG2 4Å; F137-I149 HydrophobicContact CE2-CB 4.06Å; F137-I149 HydrophobicContact CE2-CD1 4.41Å; F137-I149 HydrophobicContact CE2-CG2 3.68Å; I145-I149 HydrophobicContact CG2-CD1 3.9Å; I145-I149 WeakPolarHBondContact O-CG1 3.26Å; I145-I149 PolarHBondContact O-N 2.89Å; I145-I149 VanDerWaalsContact O-N 3.09Å; N146-I149 PolarHBondContact O-N 3.44Å; I149-S151 VanDerWaalsContact C-N 3.3Å; I149-S151 PolarHBondContact O-N 3.16Å; I149-M152 WeakPolarHBondContact O-CB 3.21Å; I149-M152 PolarHBondContact O-N 2.94Å; I149-A153 PolarHBondContact O-N 2.69Å; I149-I189 HydrophobicContact CG2-CG2 4.38Å; I149-V190 HydrophobicContact CD1-CG1 4.32Å; I149-Y193 HydrophobicContact CD1-CD1 4.44Å; I149-Y193 HydrophobicContact CD1-CE1 3.79Å
150L98.4Very high97.6Very high1 Ų147.4 Ų47.41%0.00524%0.238CC..Hα-helixtrans-62.1-39.7176.6-70.8173.5000111.6F137 N146 Q147 M152 A153 K154 I161 F219 I220 Y223F137-L150 HydrophobicContact CD1-CD2 3.87Å; F137-L150 HydrophobicContact CD1-CG 4.47Å; F137-L150 HydrophobicContact CE1-CD1 4.18Å; F137-L150 HydrophobicContact CE1-CD2 3.9Å; F137-L150 HydrophobicContact CE1-CG 3.99Å; F137-L150 HydrophobicContact CG-CD2 4.31Å; F137-L150 HydrophobicContact CZ-CD2 4.37Å; F137-L150 HydrophobicContact CZ-CG 4.17Å; N146-L150 WeakPolarHBondContact O-CB 3.31Å; N146-L150 VanDerWaalsContact O-CG 3.28Å; N146-L150 WeakPolarHBondContact O-CG 3.12Å; N146-L150 PolarHBondContact O-N 3.19Å; Q147-L150 PolarHBondContact O-N 2.82Å; L150-M152 VanDerWaalsContact C-N 3.34Å; L150-A153 PolarHBondContact O-N 3.13Å; L150-K154 PolarHBondContact O-N 3.43Å; L150-I161 HydrophobicContact CD2-CD1 4.03Å; L150-I161 HydrophobicContact CD2-CG1 4.17Å; L150-I161 HydrophobicContact CD2-CG2 4.14Å; L150-F219 HydrophobicContact CD1-CE1 4.15Å; L150-I220 HydrophobicContact CD1-CG1 4.38Å; L150-I220 HydrophobicContact CD2-CG2 4.13Å; L150-Y223 HydrophobicContact CB-CD1 3.98Å; L150-Y223 HydrophobicContact CB-CE1 4.39Å; L150-Y223 HydrophobicContact CD1-CD1 4.03Å
151S97.9Very high97.7Very high29 Ų2947.1 Ų47.120%0.20324%0.236CC..Hα-helixtrans-63.5-41.9174.5-55.40000111.3Q147 D148 I149 K154 R155 Y223Q147-S151 WeakPolarHBondContact O-CB 3.4Å; Q147-S151 PolarHBondContact O-N 3.39Å; Q147-S151 PolarHBondContact O-OG 3.49Å; D148-S151 PolarHBondContact O-N 3.47Å; I149-S151 VanDerWaalsContact C-N 3.3Å; I149-S151 PolarHBondContact O-N 3.16Å; S151-K154 PolarHBondContact O-N 3.11Å; S151-R155 WeakPolarHBondContact O-CB 3.19Å; S151-R155 VanDerWaalsContact O-CG 3.29Å; S151-R155 WeakPolarHBondContact O-CG 3.41Å; S151-R155 PolarHBondContact O-N 3.18Å; S151-Y223 WeakPolarHBondContact OG-CE1 3.1Å; S151-Y223 PolarHBondContact OG-OH 3.36Å
152M97.7Very high97.8Very high36 Ų3641.7 Ų41.718%0.17721%0.213CC..Hα-helixtrans-63.8-41.7176.3-171.3173.358.800111.8L120 D148 I149 L150 R155 N156 I189L120-M152 HydrophobicContact CD1-CE 4.09Å; L120-M152 HydrophobicContact CD1-CG 4.05Å; D148-M152 WeakPolarHBondContact O-CB 3.35Å; D148-M152 PolarHBondContact O-N 3.28Å; I149-M152 WeakPolarHBondContact O-CB 3.21Å; I149-M152 PolarHBondContact O-N 2.94Å; L150-M152 VanDerWaalsContact C-N 3.34Å; M152-R155 PolarHBondContact O-N 3.3Å; M152-N156 WeakPolarHBondContact O-CB 3.21Å; M152-N156 PolarHBondContact O-N 2.87Å; M152-N156 PolarHBondContact O-ND2 2.94Å; M152-I189 HydrophobicContact CE-CB 4.35Å; M152-I189 HydrophobicContact CE-CG2 3.79Å
153A98.2Very high97.9Very high1 Ų137.9 Ų37.91%0.00819%0.192CC..Hα-helixtrans-60.1-49.3174.200000111.9L120 F135 I149 L150 R155 N156 G157 A158 I161L120-A153 HydrophobicContact CD1-CB 4.27Å; F135-A153 HydrophobicContact CB-CB 3.87Å; F135-A153 HydrophobicContact CD1-CB 3.49Å; F135-A153 VanDerWaalsContact CD1-CB 3.49Å; F135-A153 HydrophobicContact CD2-CB 4.44Å; F135-A153 HydrophobicContact CE1-CB 4.12Å; F135-A153 HydrophobicContact CG-CB 3.67Å; I149-A153 PolarHBondContact O-N 2.69Å; L150-A153 PolarHBondContact O-N 3.13Å; A153-R155 PolarHBondContact O-N 3.25Å; A153-N156 CarbonylContact O-C 3.54Å; A153-N156 PolarHBondContact O-N 3.33Å; A153-G157 PolarHBondContact O-N 3.28Å; A153-A158 HydrophobicContact CB-CB 4.07Å; A153-A158 WeakPolarHBondContact O-CB 3.17Å; A153-A158 PolarHBondContact O-N 3.19Å; A153-I161 HydrophobicContact CB-CD1 4.27Å
154K97.1Very high98Very high92 Ų9234.3 Ų34.340%0.417%0.173SC..Hα-helixtrans-60.9-45.4178-170.9172.3-167.8157.50112.1L150 S151 N156 G157 S224 D225L150-K154 PolarHBondContact O-N 3.43Å; S151-K154 PolarHBondContact O-N 3.11Å; K154-N156 PolarHBondContact O-N 2.81Å; K154-G157 PolarHBondContact O-N 2.94Å; K154-S224 WeakPolarHBondContact CD-O 3.39Å; K154-S224 PolarHBondContact NZ-O 3.2Å; K154-D225 IonicContact NZ-OD2 3.52Å; K154-D225 PolarHBondContact NZ-OD2 3.42Å
155R96.7Very high98Very high188 Ų18834.8 Ų34.871%0.70917%0.174SC*.Hα-helixtrans-62.1-31.3177.7-73.8-174.4-57.4-128.61.1113.1S151 M152 A153 G157S151-R155 WeakPolarHBondContact O-CB 3.19Å; S151-R155 VanDerWaalsContact O-CG 3.29Å; S151-R155 WeakPolarHBondContact O-CG 3.41Å; S151-R155 PolarHBondContact O-N 3.18Å; M152-R155 PolarHBondContact O-N 3.3Å; A153-R155 PolarHBondContact O-N 3.25Å; R155-G157 VanDerWaalsContact C-N 3.25Å; R155-G157 PolarHBondContact O-N 2.85Å
156N97.5Very high98Very high16 Ų1634.8 Ų34.89%0.08618%0.175CC..THydrogen-bonded Turntrans-88.817.5175.7-75.4-74.8000113.3L120 E121 R124 M152 A153 K154L120-N156 HydrophobicContact CB-CB 3.87Å; E121-N156 VanDerWaalsContact CA-OD1 3.25Å; E121-N156 WeakPolarHBondContact CA-OD1 3.19Å; E121-N156 WeakPolarHBondContact CG-OD1 3.39Å; E121-N156 PolarHBondContact N-OD1 2.63Å; E121-N156 PolarHBondContact OE1-ND2 3.25Å; R124-N156 HydrophobicContact CB-CB 4.49Å; R124-N156 WeakPolarHBondContact CD-O 3.31Å; M152-N156 WeakPolarHBondContact O-CB 3.21Å; M152-N156 PolarHBondContact O-N 2.87Å; M152-N156 PolarHBondContact O-ND2 2.94Å; A153-N156 CarbonylContact O-C 3.54Å; A153-N156 PolarHBondContact O-N 3.33Å; K154-N156 PolarHBondContact O-N 2.81Å
157G96.5Very high97.9Very high20 Ų2035 Ų3521%0.20618%0.177CC..THydrogen-bonded Turntrans81.519.6169.800000115.3A153 K154 R155 K159A153-G157 PolarHBondContact O-N 3.28Å; K154-G157 PolarHBondContact O-N 2.94Å; R155-G157 VanDerWaalsContact C-N 3.25Å; R155-G157 PolarHBondContact O-N 2.85Å; G157-K159 PolarHBondContact O-N 3.17Å
158A98.1Very high97.8Very high6 Ų634 Ų345%0.0518%0.175CC..EExtended strand (participates in β ladder)trans-59.6125.8172.300000110.6Q133 F135 A153 L226Q133-A158 CarbonylContact O-C 3.53Å; Q133-A158 WeakPolarHBondContact O-CA 3.49Å; F135-A158 HydrophobicContact CB-CB 3.93Å; A153-A158 HydrophobicContact CB-CB 4.07Å; A153-A158 WeakPolarHBondContact O-CB 3.17Å; A153-A158 PolarHBondContact O-N 3.19Å; A158-L226 HydrophobicContact CB-CD1 4.35Å; A158-L226 VanDerWaalsContact O-CD1 3.23Å; A158-L226 WeakPolarHBondContact O-CD1 3.33Å
159K97.7Very high97.7Very high73 Ų7333.1 Ų33.132%0.31717%0.174SC..EExtended strand (participates in β ladder)trans-93.3-18.1178.3-61.7-169.4178.5-177.70113.2E74 Q133 G157 P227E74-K159 HydrophobicContact CG-CD 4.39Å; E74-K159 VanDerWaalsContact OE1-CD 3.24Å; E74-K159 WeakPolarHBondContact OE1-CD 3.49Å; E74-K159 WeakPolarHBondContact OE1-CE 3.32Å; E74-K159 IonicContact OE1-NZ 3.34Å; E74-K159 PolarHBondContact OE1-NZ 2.65Å; E74-K159 IonicContact OE2-NZ 2.59Å; E74-K159 PolarHBondContact OE2-NZ 2.85Å; Q133-K159 PolarHBondContact O-N 2.59Å; G157-K159 PolarHBondContact O-N 3.17Å; K159-P227 WeakPolarHBondContact O-CD 3.39Å
160A98.7Very high97.5Very high1 Ų133.9 Ų33.91%0.00818%0.183CC..EExtended strand (participates in β ladder)trans-151.2156.8173.200000110.8W134 F135 P227 Y229W134-A160 HydrophobicContact CD2-CB 3.79Å; W134-A160 HydrophobicContact CE3-CB 4.42Å; W134-A160 HydrophobicContact CG-CB 3.81Å; W134-A160 HydrophobicContact CZ2-CB 4.4Å; F135-A160 PolarHBondContact N-O 3.1Å; A160-P227 WeakPolarHBondContact CA-O 3.39Å; A160-P227 HydrophobicContact CB-CB 4.26Å; A160-Y229 HydrophobicContact CB-CD2 4.15Å; A160-Y229 HydrophobicContact CB-CE2 4.12Å
161I98.8Very high97.3Very high0 Ų034.1 Ų34.10%019%0.185CC..EExtended strand (participates in β ladder)trans-107.5133.1172.8-53.6-60.8000109.4F135 F137 L150 A153 I220 L226 P227 V228 Y229F135-I161 HydrophobicContact CB-CD1 4.19Å; F135-I161 HydrophobicContact CD1-CD1 4.12Å; F135-I161 CarbonylContact O-C 3.53Å; F135-I161 WeakPolarHBondContact O-CA 3.47Å; F137-I161 HydrophobicContact CB-CG2 3.8Å; F137-I161 HydrophobicContact CD1-CG2 4.47Å; L150-I161 HydrophobicContact CD2-CD1 4.03Å; L150-I161 HydrophobicContact CD2-CG1 4.17Å; L150-I161 HydrophobicContact CD2-CG2 4.14Å; A153-I161 HydrophobicContact CB-CD1 4.27Å; I161-I220 HydrophobicContact CB-CG2 3.92Å; I161-I220 HydrophobicContact CG1-CG2 4.2Å; I161-I220 HydrophobicContact CG2-CG2 3.59Å; I161-L226 HydrophobicContact CD1-CD1 3.99Å; I161-L226 HydrophobicContact CG1-CB 4.27Å; I161-L226 HydrophobicContact CG1-CD1 4.13Å; I161-P227 PolarHBondContact N-O 3.47Å; I161-V228 CarbonylContact O-C 3.54Å; I161-V228 WeakPolarHBondContact O-CA 3.4Å; I161-Y229 PolarHBondContact O-N 3.47Å
162V98.9Very high97.2Very high0 Ų035.7 Ų35.70%019%0.192CC..EExtended strand (participates in β ladder)trans-111.499.7177.3-176.30000108.5T111 W134 F135 Q136 F137 T164 Y229 K231 W251T111-V162 HydrophobicContact CG2-CG2 4.08Å; W134-V162 HydrophobicContact CE3-CG2 3.79Å; W134-V162 HydrophobicContact CZ3-CG2 4.47Å; F135-V162 PolarHBondContact O-N 3.04Å; Q136-V162 CarbonylContact C-O 3.55Å; Q136-V162 WeakPolarHBondContact CA-O 3.35Å; Q136-V162 HydrophobicContact CB-CB 4.13Å; Q136-V162 HydrophobicContact CG-CB 4.33Å; Q136-V162 HydrophobicContact CG-CG1 4.38Å; F137-V162 PolarHBondContact N-O 3.18Å; V162-T164 PolarHBondContact O-N 3.44Å; V162-Y229 CarbonylContact C-O 3.58Å; V162-Y229 WeakPolarHBondContact CA-O 3.24Å; V162-K231 HydrophobicContact CG1-CB 3.58Å; V162-K231 HydrophobicContact CG1-CD 4.08Å; V162-K231 HydrophobicContact CG1-CG 4.42Å; V162-W251 HydrophobicContact CB-CE3 4.39Å; V162-W251 HydrophobicContact CB-CZ3 4.38Å; V162-W251 HydrophobicContact CG1-CD2 4.32Å; V162-W251 HydrophobicContact CG1-CE3 3.52Å; V162-W251 HydrophobicContact CG1-CZ3 3.85Å; V162-W251 HydrophobicContact CG2-CE3 3.93Å; V162-W251 HydrophobicContact CG2-CZ3 3.66Å
163L98.8Very high97.2Very high5 Ų534.4 Ų34.43%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-74.6109.5173.3176.361.4000109M139 A165 L212 V217 I220 Y229 K231M139-L163 HydrophobicContact CG-CD1 3.94Å; M139-L163 HydrophobicContact SD-CD1 4.02Å; L163-A165 PolarHBondContact O-N 3.25Å; L163-L212 HydrophobicContact CD1-CD2 4.4Å; L163-V217 HydrophobicContact CD2-CG2 3.94Å; L163-I220 HydrophobicContact CB-CD1 4.05Å; L163-I220 HydrophobicContact CD1-CD1 3.85Å; L163-I220 HydrophobicContact CD2-CD1 3.93Å; L163-I220 HydrophobicContact CG-CD1 4.15Å; L163-Y229 PolarHBondContact N-O 3.28Å; L163-K231 PolarHBondContact O-N 2.85Å
164T98.7Very high97.1Very high3 Ų336.8 Ų36.82%0.01820%0.196CC..EExtended strand (participates in β ladder)trans-84111173.7-59.60000109.7Q136 F137 Y138 V162 D166Q136-T164 VanDerWaalsContact CD-OG1 3.25Å; Q136-T164 WeakPolarHBondContact CG-OG1 3.31Å; Q136-T164 VanDerWaalsContact NE2-CB 3.31Å; Q136-T164 PolarHBondContact NE2-OG1 3.19Å; F137-T164 PolarHBondContact O-N 3.12Å; Y138-T164 HydrophobicContact CE1-CG2 3.76Å; Y138-T164 WeakPolarHBondContact OH-CG2 3.49Å; V162-T164 PolarHBondContact O-N 3.44Å; T164-D166 WeakPolarHBondContact CG2-OD1 3.06Å
165A98.3Very high97.2Very high39 Ų3934.3 Ų34.332%0.32219%0.189SC..  trans-104.3-8.2-175.200000114.1L163 A167 L212 V230 K231L163-A165 PolarHBondContact O-N 3.25Å; A165-A167 VanDerWaalsContact C-N 3.33Å; A165-A167 PolarHBondContact O-N 2.78Å; A165-L212 HydrophobicContact CB-CD1 4.04Å; A165-V230 HydrophobicContact CB-CG1 4.42Å; A165-K231 PolarHBondContact N-O 2.72Å
166D98.2Very high97.2Very high35 Ų3526.1 Ų26.119%0.18716%0.159CC..SBendtrans-85.14.7-177.862.510000115.1T164 K231 G232 H255 Q259T164-D166 WeakPolarHBondContact CG2-OD1 3.06Å; D166-K231 IonicContact OD2-NZ 2.68Å; D166-G232 WeakPolarHBondContact OD2-CA 3.44Å; D166-H255 IonicContact OD1-CE1 2.84Å; D166-H255 IonicContact OD1-CG 2.58Å; D166-H255 IonicContact OD1-ND1 3.42Å; D166-H255 PolarHBondContact OD1-ND1 3.5Å; D166-H255 IonicContact OD2-CG 2.85Å; D166-H255 PolarHBondContact OD2-N 2.82Å; D166-H255 IonicContact OD2-ND1 3.53Å; D166-H255 PolarHBondContact OD2-ND1 3.09Å; D166-Q259 WeakPolarHBondContact O-CG 3.44Å; D166-Q259 PolarHBondContact O-NE2 3.45Å; D166-Q259 VanDerWaalsContact O-NE2 3.09Å
167A96.5Very high97.2Very high5 Ų532 Ų324%0.04118%0.18CC..  trans-134.647-175.100000114.5Y138 A165 V169 Y205 Q259Y138-A167 HydrophobicContact CE1-CB 3.97Å; A165-A167 VanDerWaalsContact C-N 3.33Å; A165-A167 PolarHBondContact O-N 2.78Å; A167-V169 PolarHBondContact O-N 2.89Å; A167-Y205 HydrophobicContact CB-CD1 4.06Å; A167-Y205 HydrophobicContact CB-CE1 3.51Å; A167-Y205 HydrophobicContact CB-CE2 4.3Å; A167-Y205 VanDerWaalsContact O-CD1 3.29Å; A167-Y205 WeakPolarHBondContact O-CD1 3.26Å; A167-Q259 VanDerWaalsContact CA-NE2 3.26Å; A167-Q259 HydrophobicContact CB-CG 4.37Å; A167-Q259 VanDerWaalsContact CB-NE2 3.28Å
168T96Very high97.2Very high45 Ų4539.6 Ų39.628%0.27620%0.202SC..SBendtrans-66.1-28.1172.254.30000112.6Q210 L212T168-Q210 VanDerWaalsContact CG2-O 3.24Å; T168-Q210 WeakPolarHBondContact CG2-O 3.13Å; T168-Q210 WeakPolarHBondContact O-CG 3.08Å; T168-Q210 PolarHBondContact O-NE2 2.91Å; T168-L212 HydrophobicContact CG2-CD1 3.96Å; T168-L212 HydrophobicContact CG2-CG 4.31Å
169V95.7Very high97.2Very high94 Ų9441.5 Ų41.557%0.5721%0.212SC*.SBendtrans-134160.3168.7-64.30000109.6A167 Q259A167-V169 PolarHBondContact O-N 2.89Å; V169-Q259 PolarHBondContact O-NE2 2.59Å
170G92.3Very high97.2Very high22 Ų2240.8 Ų40.823%0.22723%0.225CC..  trans-69.6138.917500000112.4D202G170-D202 WeakPolarHBondContact CA-OD1 3.17Å
171G94.9Very high97.1Very high6 Ų641.6 Ų41.66%0.06223%0.228CC..  trans-64.1162.1167.100000111.9R173 Q259G171-R173 PolarHBondContact O-N 2.63Å; G171-Q259 WeakPolarHBondContact CA-O 3.46Å
172N95.9Very high97.1Very high63 Ų6344.6 Ų44.634%0.33725%0.247SC..  trans-69.666.7179.4-17539000112.5A36 G37 E174 R177A36-N172 CarbonylContact C-O 3.59Å; A36-N172 WeakPolarHBondContact CA-O 3.39Å; G37-N172 PolarHBondContact N-O 2.84Å; N172-E174 PolarHBondContact ND2-OE1 3.04Å; N172-E174 PolarHBondContact O-N 3.17Å; N172-R177 PolarHBondContact OD1-NH1 3.31Å; N172-R177 PolarHBondContact OD1-NH2 2.76Å
173R96.8Very high97Very high8 Ų844.7 Ų44.73%0.0325%0.247CC..  trans-81.487-173.4-62.7-173.1-169.2163.67111.6G171 T175 D176 R177 Y205 R258G171-R173 PolarHBondContact O-N 2.63Å; R173-T175 VanDerWaalsContact C-N 3.32Å; R173-T175 PolarHBondContact O-N 3.48Å; R173-D176 HydrophobicContact CB-CB 4.18Å; R173-D176 WeakPolarHBondContact CD-OD2 3.13Å; R173-D176 PolarHBondContact O-N 3.01Å; R173-R177 PolarHBondContact O-N 3.22Å; R173-Y205 PolarHBondContact NH2-OH 2.8Å; R173-R258 VanDerWaalsContact CZ-CZ 3.46Å; R173-R258 PolarHBondContact NE-O 3.11Å; R173-R258 VanDerWaalsContact NH1-CZ 3.26Å
174E98Very high96.8Very high52 Ų5248.2 Ų48.224%0.24327%0.27CS..Hα-helixtrans-67.1-32.2-174.6-57.4-164.6164.800113.5N172 D176 R177 R178N172-E174 PolarHBondContact ND2-OE1 3.04Å; N172-E174 PolarHBondContact O-N 3.17Å; E174-D176 VanDerWaalsContact C-N 3.32Å; E174-D176 PolarHBondContact O-N 3.04Å; E174-R177 PolarHBondContact O-N 2.85Å; E174-R178 WeakPolarHBondContact O-CB 3.17Å; E174-R178 VanDerWaalsContact O-CG 3.26Å; E174-R178 WeakPolarHBondContact O-CG 3.24Å; E174-R178 PolarHBondContact O-N 2.89Å; E174-R178 IonicContact OE2-CZ 3.29Å; E174-R178 VanDerWaalsContact OE2-CZ 3.31Å; E174-R178 IonicContact OE2-NH1 2.95Å; E174-R178 IonicContact OE2-NH2 2.77Å; E174-R178 PolarHBondContact OE2-NH2 2.86Å
175T97.7Very high96.6Very high40 Ų4049.8 Ų49.825%0.24528%0.278CS..Hα-helixtrans-60.7-42.3175.3-61.30000111.4S34 R173 R177 R178 N179S34-T175 WeakPolarHBondContact CB-OG1 3.21Å; R173-T175 VanDerWaalsContact C-N 3.32Å; R173-T175 PolarHBondContact O-N 3.48Å; T175-R177 VanDerWaalsContact C-N 3.34Å; T175-R177 PolarHBondContact O-N 2.55Å; T175-R178 PolarHBondContact O-N 2.66Å; T175-N179 WeakPolarHBondContact O-CB 3.3Å; T175-N179 PolarHBondContact O-N 3.37Å; T175-N179 PolarHBondContact O-ND2 3.42Å
176D97.6Very high96.5Very high16 Ų1649.8 Ų49.89%0.08628%0.278CS..Hα-helixtrans-61.6-45.2177.5-64-4.8000110.3Y31 R173 E174 N179 G180 F181Y31-D176 VanDerWaalsContact CA-OD1 3.26Å; Y31-D176 WeakPolarHBondContact CA-OD1 3.31Å; R173-D176 HydrophobicContact CB-CB 4.18Å; R173-D176 WeakPolarHBondContact CD-OD2 3.13Å; R173-D176 PolarHBondContact O-N 3.01Å; E174-D176 VanDerWaalsContact C-N 3.32Å; E174-D176 PolarHBondContact O-N 3.04Å; D176-N179 PolarHBondContact O-N 3.28Å; D176-G180 PolarHBondContact O-N 3.15Å; D176-F181 HydrophobicContact CB-CB 4.23Å; D176-F181 PolarHBondContact O-N 2.77Å
177R96.7Very high96.5Very high138 Ų13848.2 Ų48.252%0.52127%0.27SS..Hα-helixtrans-65.7-44.3178.6-62.1-170.7-158.8131.55.6112.9N172 R173 E174 T175 N179 G180N172-R177 PolarHBondContact OD1-NH1 3.31Å; N172-R177 PolarHBondContact OD1-NH2 2.76Å; R173-R177 PolarHBondContact O-N 3.22Å; E174-R177 PolarHBondContact O-N 2.85Å; T175-R177 VanDerWaalsContact C-N 3.34Å; T175-R177 PolarHBondContact O-N 2.55Å; R177-N179 PolarHBondContact O-N 2.95Å; R177-G180 PolarHBondContact O-N 3.08Å; R177-G180 VanDerWaalsContact O-N 3.07Å
178R97.3Very high96.6Very high180 Ų18049.8 Ų49.868%0.67928%0.28SS*.Hα-helixtrans-61.9-33.1177.1-72.2172.6-172.9133.9-1.5111.9E174 T175E174-R178 WeakPolarHBondContact O-CB 3.17Å; E174-R178 VanDerWaalsContact O-CG 3.26Å; E174-R178 WeakPolarHBondContact O-CG 3.24Å; E174-R178 PolarHBondContact O-N 2.89Å; E174-R178 IonicContact OE2-CZ 3.29Å; E174-R178 VanDerWaalsContact OE2-CZ 3.31Å; E174-R178 IonicContact OE2-NH1 2.95Å; E174-R178 IonicContact OE2-NH2 2.77Å; E174-R178 PolarHBondContact OE2-NH2 2.86Å; T175-R178 PolarHBondContact O-N 2.66Å
179N97.7Very high96.6Very high47 Ų4748.1 Ų48.125%0.25127%0.269SS..THydrogen-bonded Turntrans-85.4-6.4177.1-71.3-27.3000113.6K26 T175 D176 R177 F181K26-N179 VanDerWaalsContact CE-OD1 3.29Å; K26-N179 WeakPolarHBondContact CE-OD1 3.4Å; T175-N179 WeakPolarHBondContact O-CB 3.3Å; T175-N179 PolarHBondContact O-N 3.37Å; T175-N179 PolarHBondContact O-ND2 3.42Å; D176-N179 PolarHBondContact O-N 3.28Å; R177-N179 PolarHBondContact O-N 2.95Å; N179-F181 PolarHBondContact O-N 2.94Å
180G97Very high96.7Very high57 Ų5743.6 Ų43.659%0.58824%0.242SC*.THydrogen-bonded Turntrans57.436.5-171.500000112.1D176 R177 T182D176-G180 PolarHBondContact O-N 3.15Å; R177-G180 PolarHBondContact O-N 3.08Å; R177-G180 VanDerWaalsContact O-N 3.07Å; G180-T182 PolarHBondContact O-N 3.09Å
181F97.6Very high96.8Very high18 Ų1848.8 Ų48.88%0.07926%0.26CS..  trans-68.8127.7-170.8179.6-100.5000112G27 Y31 L90 D176 N179 F183G27-F181 VanDerWaalsContact C-CD2 3.45Å; G27-F181 VanDerWaalsContact O-CD2 3.32Å; G27-F181 WeakPolarHBondContact O-CD2 3.14Å; Y31-F181 HydrophobicContact CD1-CE1 4.34Å; Y31-F181 HydrophobicContact CD1-CZ 4.26Å; Y31-F181 AromaticContact CD2-CD1 3.89Å; Y31-F181 HydrophobicContact CD2-CD1 3.89Å; Y31-F181 AromaticContact CD2-CE1 3.47Å; Y31-F181 HydrophobicContact CD2-CE1 3.47Å; Y31-F181 VanDerWaalsContact CD2-CE1 3.47Å; Y31-F181 HydrophobicContact CD2-CZ 4.18Å; Y31-F181 HydrophobicContact CE2-CE1 4.13Å; Y31-F181 HydrophobicContact CG-CD1 4.14Å; Y31-F181 AromaticContact CG-CE1 3.59Å; Y31-F181 HydrophobicContact CG-CE1 3.59Å; Y31-F181 AromaticContact CG-CZ 3.82Å; Y31-F181 HydrophobicContact CG-CZ 3.82Å; L90-F181 HydrophobicContact CD1-CE2 4.49Å; L90-F181 HydrophobicContact CD1-CZ 3.86Å; L90-F181 HydrophobicContact CD2-CE2 4.18Å; L90-F181 HydrophobicContact CD2-CZ 4.08Å; D176-F181 HydrophobicContact CB-CB 4.23Å; D176-F181 PolarHBondContact O-N 2.77Å; N179-F181 PolarHBondContact O-N 2.94Å; F181-F183 HydrophobicContact CE1-CD1 4.1Å; F181-F183 HydrophobicContact CE1-CD2 4.41Å; F181-F183 HydrophobicContact CE1-CE1 4.04Å; F181-F183 HydrophobicContact CE1-CE2 4.35Å; F181-F183 HydrophobicContact CE1-CG 4.28Å; F181-F183 HydrophobicContact CE1-CZ 4.17Å; F181-F183 HydrophobicContact CZ-CD1 4.03Å; F181-F183 HydrophobicContact CZ-CE1 4.2Å; F181-F183 HydrophobicContact CZ-CG 4.44Å
182T97.6Very high96.8Very high64 Ų6452.2 Ų52.239%0.39329%0.288SS..  trans-131.8148.4165.757.50000108.6G180 P184 Q199 T200G180-T182 PolarHBondContact O-N 3.09Å; T182-P184 WeakPolarHBondContact O-CD 3.35Å; T182-Q199 CarbonylContact C-O 3.56Å; T182-Q199 VanDerWaalsContact CA-O 3.29Å; T182-Q199 WeakPolarHBondContact CA-O 3.47Å; T182-T200 HydrophobicContact CG2-CG2 4.19Å
183F97Very high96.7Very high2 Ų251.1 Ų51.11%0.00928%0.279CS..  trans-64.4127.3-179.6-71.5-82.1000111.4Y31 A87 L90 F181 M187 G196 G198 Q199 M201 V204Y31-F183 HydrophobicContact CD2-CZ 4.42Å; Y31-F183 HydrophobicContact CE1-CE1 4.04Å; Y31-F183 HydrophobicContact CE1-CZ 4.35Å; Y31-F183 HydrophobicContact CE2-CE1 4.06Å; Y31-F183 AromaticContact CE2-CZ 3.59Å; Y31-F183 HydrophobicContact CE2-CZ 3.59Å; Y31-F183 AromaticContact CZ-CE1 3.7Å; Y31-F183 AromaticContact CZ-CZ 3.55Å; Y31-F183 WeakPolarHBondContact OH-CZ 3.26Å; A87-F183 HydrophobicContact CB-CD1 4.02Å; A87-F183 HydrophobicContact CB-CE1 3.76Å; L90-F183 HydrophobicContact CD1-CD1 4.44Å; L90-F183 HydrophobicContact CD1-CE1 4.26Å; F181-F183 HydrophobicContact CE1-CD1 4.1Å; F181-F183 HydrophobicContact CE1-CD2 4.41Å; F181-F183 HydrophobicContact CE1-CE1 4.04Å; F181-F183 HydrophobicContact CE1-CE2 4.35Å; F181-F183 HydrophobicContact CE1-CG 4.28Å; F181-F183 HydrophobicContact CE1-CZ 4.17Å; F181-F183 HydrophobicContact CZ-CD1 4.03Å; F181-F183 HydrophobicContact CZ-CE1 4.2Å; F181-F183 HydrophobicContact CZ-CG 4.44Å; F183-M187 HydrophobicContact CD1-CE 4.03Å; F183-M187 HydrophobicContact CD2-CE 3.75Å; F183-M187 HydrophobicContact CE1-CE 4.01Å; F183-M187 HydrophobicContact CE2-CE 3.73Å; F183-M187 HydrophobicContact CG-CE 3.9Å; F183-M187 HydrophobicContact CZ-CE 3.86Å; F183-G196 WeakPolarHBondContact CB-O 3.43Å; F183-G198 PolarHBondContact O-N 3.38Å; F183-Q199 WeakPolarHBondContact CD2-O 3.49Å; F183-Q199 PolarHBondContact N-O 3.5Å; F183-M201 HydrophobicContact CE2-CB 4.2Å; F183-M201 HydrophobicContact CE2-SD 3.65Å; F183-M201 HydrophobicContact CZ-CE 4.19Å; F183-M201 HydrophobicContact CZ-SD 3.58Å; F183-M201 VanDerWaalsContact CZ-SD 3.58Å; F183-V204 HydrophobicContact CD2-CG2 4.17Å; F183-V204 HydrophobicContact CE2-CG2 4.06Å
184P96Very high96.5Very high79 Ų7951.5 Ų51.551%0.51328%0.281SS..  trans-86.54.4172.633.4-29.2000112.5L90 T182L90-P184 HydrophobicContact CD2-CG 3.82Å; T182-P184 WeakPolarHBondContact O-CD 3.35Å
185L94.9Very high96.1Very high35 Ų3551.4 Ų51.418%0.18329%0.287CS..SBendtrans-126.9151-169.5-61.7167.6000110.7M1 L90 I197M1-L185 HydrophobicContact CE-CD2 4.11Å; L90-L185 HydrophobicContact CD2-CD1 4.14Å; L90-L185 HydrophobicContact CG-CD1 4.17Å; L185-I197 PolarHBondContact O-N 2.97Å
186A96Very high95.7Very high39 Ų3949.5 Ų49.532%0.32228%0.275SS..  trans-75.5159.8172.700000111.9P188 S195 I197A186-P188 WeakPolarHBondContact O-CD 3.16Å; A186-S195 CarbonylContact C-O 3.48Å; A186-S195 WeakPolarHBondContact CA-O 3.39Å; A186-I197 HydrophobicContact CB-CD1 4.07Å; A186-I197 HydrophobicContact CB-CG1 4.27Å
187M97.4Very high95.6Very high3 Ų353.6 Ų53.62%0.01530%0.295CS..  trans-118.476.5170.9-62.9176.3-17900109.5Y115 F183 I189 V190 Q191 Q194 S195 V204Y115-M187 HydrophobicContact CD1-SD 3.98Å; Y115-M187 HydrophobicContact CG-SD 3.95Å; F183-M187 HydrophobicContact CD1-CE 4.03Å; F183-M187 HydrophobicContact CD2-CE 3.75Å; F183-M187 HydrophobicContact CE1-CE 4.01Å; F183-M187 HydrophobicContact CE2-CE 3.73Å; F183-M187 HydrophobicContact CG-CE 3.9Å; F183-M187 HydrophobicContact CZ-CE 3.86Å; M187-I189 VanDerWaalsContact C-N 3.27Å; M187-I189 PolarHBondContact O-N 3Å; M187-V190 HydrophobicContact CB-CG2 3.64Å; M187-V190 PolarHBondContact O-N 2.96Å; M187-Q191 PolarHBondContact O-N 2.68Å; M187-Q194 HydrophobicContact SD-CG 4.2Å; M187-S195 PolarHBondContact N-O 2.6Å; M187-V204 HydrophobicContact CE-CG1 4.19Å; M187-V204 HydrophobicContact CE-CG2 3.89Å; M187-V204 HydrophobicContact SD-CG1 4.03Å; M187-V204 HydrophobicContact SD-CG2 4.18Å
188P97.7Very high95.6Very high38 Ų3849 Ų4925%0.24729%0.291CS..G310 helixtrans-59.5-32.7-168.322.2-35000114.3A116 T119 A186 V190 Q191A116-P188 WeakPolarHBondContact O-CD 3.35Å; T119-P188 HydrophobicContact CG2-CB 4.06Å; T119-P188 HydrophobicContact CG2-CG 4.21Å; A186-P188 WeakPolarHBondContact O-CD 3.16Å; P188-V190 VanDerWaalsContact C-N 3.3Å; P188-V190 PolarHBondContact O-N 2.87Å; P188-Q191 WeakPolarHBondContact O-CB 3.21Å; P188-Q191 PolarHBondContact O-N 3.31Å
189I97.9Very high95.5Very high9 Ų943.9 Ų43.95%0.04628%0.275CS..G310 helixtrans-64.3-34.9-177.8-63172.6000112.1S113 S114 A116 L120 F135 I149 M152 M187S113-I189 WeakPolarHBondContact O-CD1 3.17Å; S114-I189 WeakPolarHBondContact O-CB 3.34Å; A116-I189 HydrophobicContact CB-CD1 3.78Å; L120-I189 HydrophobicContact CD2-CD1 3.74Å; L120-I189 HydrophobicContact CG-CD1 3.71Å; L120-I189 HydrophobicContact CG-CG1 4.05Å; F135-I189 HydrophobicContact CE2-CD1 4.46Å; F135-I189 HydrophobicContact CE2-CG2 4.02Å; F135-I189 HydrophobicContact CZ-CG2 3.95Å; I149-I189 HydrophobicContact CG2-CG2 4.38Å; M152-I189 HydrophobicContact CE-CB 4.35Å; M152-I189 HydrophobicContact CE-CG2 3.79Å; M187-I189 VanDerWaalsContact C-N 3.27Å; M187-I189 PolarHBondContact O-N 3Å
190V97Very high95.5Very high0 Ų044.5 Ų44.50%028%0.28CS..G310 helixtrans-109.914.2-175.8-66.40000112.8S114 Y115 I149 M187 P188 A192 Y193 Q194S114-V190 VanDerWaalsContact O-CG1 3.29Å; S114-V190 WeakPolarHBondContact O-CG1 3.47Å; Y115-V190 HydrophobicContact CD1-CG1 4.17Å; Y115-V190 HydrophobicContact CD1-CG2 3.69Å; Y115-V190 HydrophobicContact CE1-CG1 4.21Å; Y115-V190 HydrophobicContact CE1-CG2 4.02Å; I149-V190 HydrophobicContact CD1-CG1 4.32Å; M187-V190 HydrophobicContact CB-CG2 3.64Å; M187-V190 PolarHBondContact O-N 2.96Å; P188-V190 VanDerWaalsContact C-N 3.3Å; P188-V190 PolarHBondContact O-N 2.87Å; V190-A192 PolarHBondContact O-N 2.85Å; V190-Y193 HydrophobicContact CB-CD1 4.19Å; V190-Y193 HydrophobicContact CB-CE1 3.58Å; V190-Y193 HydrophobicContact CB-CE2 4.19Å; V190-Y193 HydrophobicContact CG1-CE1 3.65Å; V190-Y193 HydrophobicContact CG1-CE2 4.49Å; V190-Y193 WeakPolarHBondContact CG1-OH 3.22Å; V190-Y193 PolarHBondContact O-N 2.97Å; V190-Q194 CarbonylContact C-O 3.57Å; V190-Q194 HydrophobicContact CG2-CB 4.11Å; V190-Q194 PolarHBondContact O-N 2.87Å
191Q95.3Very high95.4Very high131 Ų13142.2 Ų42.261%0.61226%0.255SS*.THydrogen-bonded Turntrans-56.6-23.8-172.5-162.1176.824.300113.7M187 P188 Y193 Q194M187-Q191 PolarHBondContact O-N 2.68Å; P188-Q191 WeakPolarHBondContact O-CB 3.21Å; P188-Q191 PolarHBondContact O-N 3.31Å; Q191-Y193 PolarHBondContact O-N 2.84Å; Q191-Q194 VanDerWaalsContact CA-O 3.3Å; Q191-Q194 WeakPolarHBondContact CA-O 3.37Å
192A93.1Very high95.2Very high78 Ų7844.8 Ų44.865%0.64527%0.269SS*.THydrogen-bonded Turntrans-60.4-25.3174.200000114.1I145 V190I145-A192 HydrophobicContact CD1-CB 4.19Å; I145-A192 HydrophobicContact CG1-CB 4.42Å; I145-A192 HydrophobicContact CG2-CB 4.02Å; V190-A192 PolarHBondContact O-N 2.85Å
193Y94.6Very high95.1Very high39 Ų3943.4 Ų43.415%0.15326%0.264CS..THydrogen-bonded Turntrans-133.8-8.8178.670.6-93.8000114.3Y138 I145 I149 V190 Q191 S208Y138-Y193 PolarHBondContact O-OH 2.99Å; I145-Y193 HydrophobicContact CG2-CD1 3.75Å; I145-Y193 HydrophobicContact CG2-CE1 4.28Å; I149-Y193 HydrophobicContact CD1-CD1 4.44Å; I149-Y193 HydrophobicContact CD1-CE1 3.79Å; V190-Y193 HydrophobicContact CB-CD1 4.19Å; V190-Y193 HydrophobicContact CB-CE1 3.58Å; V190-Y193 HydrophobicContact CB-CE2 4.19Å; V190-Y193 HydrophobicContact CG1-CE1 3.65Å; V190-Y193 HydrophobicContact CG1-CE2 4.49Å; V190-Y193 WeakPolarHBondContact CG1-OH 3.22Å; V190-Y193 PolarHBondContact O-N 2.97Å; Q191-Y193 PolarHBondContact O-N 2.84Å; Y193-S208 WeakPolarHBondContact CE2-OG 3.29Å; Y193-S208 PolarHBondContact OH-OG 2.92Å
194Q92.9Very high95Very high16 Ų1643.3 Ų43.38%0.07526%0.264CS..  trans-155.2123.5-180-178.149.8-100.400112.2M187 V190 Q191 V204 S207M187-Q194 HydrophobicContact SD-CG 4.2Å; V190-Q194 CarbonylContact C-O 3.57Å; V190-Q194 HydrophobicContact CG2-CB 4.11Å; V190-Q194 PolarHBondContact O-N 2.87Å; Q191-Q194 VanDerWaalsContact CA-O 3.3Å; Q191-Q194 WeakPolarHBondContact CA-O 3.37Å; Q194-V204 HydrophobicContact CG-CB 4.4Å; Q194-V204 HydrophobicContact CG-CG1 4.18Å; Q194-V204 HydrophobicContact CG-CG2 4.06Å; Q194-S207 PolarHBondContact NE2-OG 3.49Å
195S88.6Confident95Very high51 Ų5139.6 Ų39.636%0.35724%0.24SC..  trans-85.2-28.7177.865.40000113.9A186 M187 I197A186-S195 CarbonylContact C-O 3.48Å; A186-S195 WeakPolarHBondContact CA-O 3.39Å; M187-S195 PolarHBondContact N-O 2.6Å; S195-I197 PolarHBondContact O-N 3.34Å; S195-I197 VanDerWaalsContact O-N 3.14Å
196G90.9Very high95Very high0 Ų039.8 Ų39.80%025%0.25CS..  trans81-48.2-171.100000113.6F183 G198 Q199F183-G196 WeakPolarHBondContact CB-O 3.43Å; G196-G198 PolarHBondContact O-N 2.66Å; G196-Q199 VanDerWaalsContact O-CB 3.3Å; G196-Q199 WeakPolarHBondContact O-CB 3.36Å; G196-Q199 PolarHBondContact O-N 3.16Å
197I94.6Very high94.9Very high101 Ų10139.3 Ų39.352%0.51824%0.244SC..THydrogen-bonded Turntrans-56.5124.7-172.6-63.1171.4000112L185 A186 S195 Q199L185-I197 PolarHBondContact O-N 2.97Å; A186-I197 HydrophobicContact CB-CD1 4.07Å; A186-I197 HydrophobicContact CB-CG1 4.27Å; S195-I197 PolarHBondContact O-N 3.34Å; S195-I197 VanDerWaalsContact O-N 3.14Å; I197-Q199 PolarHBondContact O-N 3.34Å
198G96.3Very high94.9Very high42 Ų4239.3 Ų39.343%0.43325%0.245SC..THydrogen-bonded Turntrans71.44.4178.700000114.3F183 G196F183-G198 PolarHBondContact O-N 3.38Å; G196-G198 PolarHBondContact O-N 2.66Å
199Q96.5Very high94.9Very high73 Ų7339.5 Ų39.534%0.34124%0.242SC..  trans-93149.5178.2-56.4-56.4-49.900111.2T182 F183 G196 I197 A203 V204T182-Q199 CarbonylContact C-O 3.56Å; T182-Q199 VanDerWaalsContact CA-O 3.29Å; T182-Q199 WeakPolarHBondContact CA-O 3.47Å; F183-Q199 WeakPolarHBondContact CD2-O 3.49Å; F183-Q199 PolarHBondContact N-O 3.5Å; G196-Q199 VanDerWaalsContact O-CB 3.3Å; G196-Q199 WeakPolarHBondContact O-CB 3.36Å; G196-Q199 PolarHBondContact O-N 3.16Å; I197-Q199 PolarHBondContact O-N 3.34Å; Q199-A203 HydrophobicContact CB-CB 4.3Å; Q199-V204 HydrophobicContact CB-CG2 4.1Å
200T96Very high94.9Very high59 Ų5942.4 Ų42.436%0.36226%0.255SS..  trans-79.8163165.463.70000109.9T182 D202 A203 V204T182-T200 HydrophobicContact CG2-CG2 4.19Å; T200-D202 PolarHBondContact O-N 2.97Å; T200-A203 PolarHBondContact O-N 2.97Å; T200-A203 PolarHBondContact OG1-N 3.41Å; T200-V204 WeakPolarHBondContact O-CG2 3.35Å; T200-V204 PolarHBondContact O-N 3.05Å
201M95.2Very high94.9Very high9 Ų951.1 Ų51.14%0.04429%0.293CS..Hα-helixtrans-63.3-33.1174.1-165.861.613900112.6Y31 F183 A203 V204 Y205Y31-M201 HydrophobicContact CE2-CB 4.38Å; Y31-M201 HydrophobicContact CE2-CE 4.07Å; Y31-M201 HydrophobicContact CE2-CG 4.37Å; Y31-M201 HydrophobicContact CE2-SD 4.37Å; Y31-M201 WeakPolarHBondContact OH-CE 3.36Å; F183-M201 HydrophobicContact CE2-CB 4.2Å; F183-M201 HydrophobicContact CE2-SD 3.65Å; F183-M201 HydrophobicContact CZ-CE 4.19Å; F183-M201 HydrophobicContact CZ-SD 3.58Å; F183-M201 VanDerWaalsContact CZ-SD 3.58Å; M201-A203 VanDerWaalsContact C-N 3.32Å; M201-A203 PolarHBondContact O-N 3.34Å; M201-V204 WeakPolarHBondContact O-CB 3.48Å; M201-V204 PolarHBondContact O-N 3.39Å; M201-V204 HydrophobicContact SD-CB 4.12Å; M201-V204 HydrophobicContact SD-CG1 4.1Å; M201-Y205 HydrophobicContact CE-CE1 4.37Å; M201-Y205 HydrophobicContact CE-CE2 4.17Å; M201-Y205 HydrophobicContact CG-CD2 3.76Å; M201-Y205 HydrophobicContact CG-CE2 3.39Å; M201-Y205 WeakPolarHBondContact O-CD2 3.47Å; M201-Y205 PolarHBondContact O-N 2.69Å; M201-Y205 HydrophobicContact SD-CE2 4.17Å
202D94.3Very high95Very high73 Ų7347.1 Ų47.139%0.3928%0.275SS..Hα-helixtrans-61.2-41.2175.1-65.7-17.8000111.5G170 T200 G206G170-D202 WeakPolarHBondContact CA-OD1 3.17Å; T200-D202 PolarHBondContact O-N 2.97Å; D202-G206 PolarHBondContact O-N 3.02Å
203A95.2Very high95.3Very high34 Ų3445.2 Ų45.228%0.28126%0.257SS..Hα-helixtrans-68.2-39.8175.300000111.9Q199 T200 M201 G206 S207Q199-A203 HydrophobicContact CB-CB 4.3Å; T200-A203 PolarHBondContact O-N 2.97Å; T200-A203 PolarHBondContact OG1-N 3.41Å; M201-A203 VanDerWaalsContact C-N 3.32Å; M201-A203 PolarHBondContact O-N 3.34Å; A203-G206 PolarHBondContact O-N 3.34Å; A203-S207 PolarHBondContact O-N 3.23Å
204V95.5Very high95.4Very high0 Ų045.3 Ų45.30%026%0.263CS..Hα-helixtrans-58.1-53.4174170.20000110.6Y115 F183 M187 Q194 Q199 T200 M201 G206 S207 S208Y115-V204 HydrophobicContact CD1-CG1 4.32Å; Y115-V204 HydrophobicContact CD2-CG1 3.82Å; Y115-V204 HydrophobicContact CE1-CG1 3.98Å; Y115-V204 HydrophobicContact CE2-CG1 3.41Å; Y115-V204 VanDerWaalsContact CE2-CG1 3.41Å; Y115-V204 HydrophobicContact CG-CG1 4.25Å; Y115-V204 VanDerWaalsContact CZ-CG1 3.49Å; F183-V204 HydrophobicContact CD2-CG2 4.17Å; F183-V204 HydrophobicContact CE2-CG2 4.06Å; M187-V204 HydrophobicContact CE-CG1 4.19Å; M187-V204 HydrophobicContact CE-CG2 3.89Å; M187-V204 HydrophobicContact SD-CG1 4.03Å; M187-V204 HydrophobicContact SD-CG2 4.18Å; Q194-V204 HydrophobicContact CG-CB 4.4Å; Q194-V204 HydrophobicContact CG-CG1 4.18Å; Q194-V204 HydrophobicContact CG-CG2 4.06Å; Q199-V204 HydrophobicContact CB-CG2 4.1Å; T200-V204 WeakPolarHBondContact O-CG2 3.35Å; T200-V204 PolarHBondContact O-N 3.05Å; M201-V204 WeakPolarHBondContact O-CB 3.48Å; M201-V204 PolarHBondContact O-N 3.39Å; M201-V204 HydrophobicContact SD-CB 4.12Å; M201-V204 HydrophobicContact SD-CG1 4.1Å; V204-G206 VanDerWaalsContact C-N 3.33Å; V204-G206 PolarHBondContact O-N 3.49Å; V204-S207 PolarHBondContact O-N 2.92Å; V204-S207 VanDerWaalsContact O-N 3.16Å; V204-S207 PolarHBondContact O-OG 2.83Å; V204-S208 PolarHBondContact O-N 3.14Å
205Y95.2Very high95.7Very high2 Ų249.9 Ų49.91%0.00828%0.284CS..Hα-helixtrans-63-38.5175.9-69.5-48000112.8Y115 Y138 A167 R173 M201 S207 S208 Q210Y115-Y205 HydrophobicContact CE2-CD1 4.16Å; Y115-Y205 AromaticContact CE2-CE1 4Å; Y115-Y205 HydrophobicContact CE2-CE1 4Å; Y138-Y205 HydrophobicContact CE1-CD1 4.43Å; Y138-Y205 HydrophobicContact CE1-CE1 4.01Å; Y138-Y205 HydrophobicContact CE2-CE1 4.25Å; Y138-Y205 AromaticContact CZ-CE1 3.68Å; Y138-Y205 WeakPolarHBondContact OH-CE1 3.44Å; A167-Y205 HydrophobicContact CB-CD1 4.06Å; A167-Y205 HydrophobicContact CB-CE1 3.51Å; A167-Y205 HydrophobicContact CB-CE2 4.3Å; A167-Y205 VanDerWaalsContact O-CD1 3.29Å; A167-Y205 WeakPolarHBondContact O-CD1 3.26Å; R173-Y205 PolarHBondContact NH2-OH 2.8Å; M201-Y205 HydrophobicContact CE-CE1 4.37Å; M201-Y205 HydrophobicContact CE-CE2 4.17Å; M201-Y205 HydrophobicContact CG-CD2 3.76Å; M201-Y205 HydrophobicContact CG-CE2 3.39Å; M201-Y205 WeakPolarHBondContact O-CD2 3.47Å; M201-Y205 PolarHBondContact O-N 2.69Å; M201-Y205 HydrophobicContact SD-CE2 4.17Å; Y205-S207 PolarHBondContact O-N 2.84Å; Y205-S208 PolarHBondContact O-N 3.42Å; Y205-S208 VanDerWaalsContact O-N 3.08Å; Y205-Q210 PolarHBondContact O-NE2 3.01Å
206G95.2Very high96.2Very high39 Ų3947.8 Ų47.840%0.40227%0.269SS..Hα-helixtrans-58.4-28.7175.800000113.7K141 D202 A203 V204 Q210K141-G206 PolarHBondContact NZ-O 3.48Å; D202-G206 PolarHBondContact O-N 3.02Å; A203-G206 PolarHBondContact O-N 3.34Å; V204-G206 VanDerWaalsContact C-N 3.33Å; V204-G206 PolarHBondContact O-N 3.49Å; G206-Q210 PolarHBondContact O-NE2 3.25Å
207S94.4Very high96.5Very high28 Ų2848.1 Ų48.120%0.19627%0.271CS..Hα-helixtrans-75.4-33.8175.671.50000113.2K141 Q194 A203 V204 Y205K141-S207 PolarHBondContact NZ-O 3.04Å; Q194-S207 PolarHBondContact NE2-OG 3.49Å; A203-S207 PolarHBondContact O-N 3.23Å; V204-S207 PolarHBondContact O-N 2.92Å; V204-S207 VanDerWaalsContact O-N 3.16Å; V204-S207 PolarHBondContact O-OG 2.83Å; Y205-S207 PolarHBondContact O-N 2.84Å
208S95.6Very high96.7Very high4 Ų448 Ų483%0.02827%0.268CS..BIsolated β-bridgetrans-72173.8174.2-72.70000112.8Y115 M139 K141 Y193 V204 Y205 Q210Y115-S208 PolarHBondContact OH-OG 3.28Å; M139-S208 CarbonylContact O-C 3.51Å; M139-S208 VanDerWaalsContact O-CA 3.28Å; M139-S208 WeakPolarHBondContact O-CA 3.39Å; M139-S208 VanDerWaalsContact O-CB 3.31Å; M139-S208 WeakPolarHBondContact O-CB 3.22Å; K141-S208 PolarHBondContact NZ-O 3.28Å; Y193-S208 WeakPolarHBondContact CE2-OG 3.29Å; Y193-S208 PolarHBondContact OH-OG 2.92Å; V204-S208 PolarHBondContact O-N 3.14Å; Y205-S208 PolarHBondContact O-N 3.42Å; Y205-S208 VanDerWaalsContact O-N 3.08Å; S208-Q210 PolarHBondContact O-N 2.9Å; S208-Q210 PolarHBondContact O-NE2 2.87Å; S208-Q210 PolarHBondContact O-OE1 3.16Å
209K97.9Very high96.8Very high42 Ų4247.9 Ų47.918%0.18326%0.256CS..  trans-76.6118.3-175.7-173.5171.2178.2174.20111.4M139 K141 K211 L212 D216M139-K209 HydrophobicContact CB-CB 3.97Å; M139-K209 HydrophobicContact CB-CD 4.35Å; M139-K209 PolarHBondContact O-N 3.47Å; K141-K209 HydrophobicContact CG-CB 4.48Å; K209-K211 WeakPolarHBondContact CE-O 3.28Å; K209-L212 HydrophobicContact CB-CD2 4.36Å; K209-L212 HydrophobicContact CD-CD2 4.21Å; K209-L212 HydrophobicContact CG-CD2 4.28Å; K209-D216 VanDerWaalsContact NZ-CG 3.34Å; K209-D216 IonicContact NZ-OD1 3.57Å; K209-D216 PolarHBondContact NZ-OD1 3.45Å; K209-D216 IonicContact NZ-OD2 3.36Å; K209-D216 PolarHBondContact NZ-OD2 3.3Å
210Q98Very high96.9Very high70 Ų7044.4 Ų44.433%0.32724%0.24SC..SBendtrans-79.5-41.6175-69.362.643.800112.1K141 T168 Y205 G206 S208 L212K141-Q210 VanDerWaalsContact NZ-OE1 3.13Å; T168-Q210 VanDerWaalsContact CG2-O 3.24Å; T168-Q210 WeakPolarHBondContact CG2-O 3.13Å; T168-Q210 WeakPolarHBondContact O-CG 3.08Å; T168-Q210 PolarHBondContact O-NE2 2.91Å; Y205-Q210 PolarHBondContact O-NE2 3.01Å; G206-Q210 PolarHBondContact O-NE2 3.25Å; S208-Q210 PolarHBondContact O-N 2.9Å; S208-Q210 PolarHBondContact O-NE2 2.87Å; S208-Q210 PolarHBondContact O-OE1 3.16Å; Q210-L212 PolarHBondContact O-N 3Å
211K97.7Very high96.9Very high183 Ų18343 Ų4380%0.79623%0.234SC*.  trans-86.262.1-173.9-166.2-179.2179.1179.80110.6K209K209-K211 WeakPolarHBondContact CE-O 3.28Å
212L98Very high97Very high46 Ų4647.6 Ų47.624%0.24127%0.267CS..  trans-68147.9171-67.3175.3000110.2M139 L163 A165 T168 K209 Q210 D216M139-L212 HydrophobicContact CB-CD2 4.36Å; M139-L212 HydrophobicContact CG-CD2 4.27Å; M139-L212 HydrophobicContact SD-CD2 3.64Å; L163-L212 HydrophobicContact CD1-CD2 4.4Å; A165-L212 HydrophobicContact CB-CD1 4.04Å; T168-L212 HydrophobicContact CG2-CD1 3.96Å; T168-L212 HydrophobicContact CG2-CG 4.31Å; K209-L212 HydrophobicContact CB-CD2 4.36Å; K209-L212 HydrophobicContact CD-CD2 4.21Å; K209-L212 HydrophobicContact CG-CD2 4.28Å; Q210-L212 PolarHBondContact O-N 3Å; L212-D216 WeakPolarHBondContact CA-OD2 3.39Å
213S98Very high97.1Very high39 Ų3948.6 Ų48.627%0.27327%0.266SS..  trans-151.6163.7-17361.90000111.5Q215 D216S213-Q215 PolarHBondContact O-N 3.32Å; S213-Q215 VanDerWaalsContact O-N 3.16Å; S213-Q215 PolarHBondContact OG-OE1 2.9Å; S213-D216 PolarHBondContact N-OD2 2.95Å; S213-D216 VanDerWaalsContact O-CB 3.27Å; S213-D216 WeakPolarHBondContact O-CB 3.35Å; S213-D216 PolarHBondContact O-N 2.79Å; S213-D216 PolarHBondContact OG-OD2 3.04Å
214P98.3Very high97.2Very high41 Ų4147 Ų4727%0.26625%0.253SS..Hα-helixtrans-42.9-43.1168.6-37.442.3000114.5D216 V217 E218 R241 S245P214-D216 PolarHBondContact O-N 3.26Å; P214-D216 VanDerWaalsContact O-N 3.09Å; P214-V217 WeakPolarHBondContact O-CB 3.38Å; P214-V217 PolarHBondContact O-N 3.44Å; P214-E218 PolarHBondContact O-N 3.09Å; P214-R241 HydrophobicContact CG-CG 3.83Å; P214-S245 WeakPolarHBondContact CA-OG 3.38Å; P214-S245 WeakPolarHBondContact CB-OG 3.24Å; P214-S245 WeakPolarHBondContact O-CB 3.24Å
215Q98.2Very high97.2Very high112 Ų11253 Ų5352%0.52329%0.285SS..Hα-helixtrans-62.6-21.9-178.4-66.777.322.200113.2S213 F219S213-Q215 PolarHBondContact O-N 3.32Å; S213-Q215 VanDerWaalsContact O-N 3.16Å; S213-Q215 PolarHBondContact OG-OE1 2.9Å; Q215-F219 VanDerWaalsContact O-CB 3.25Å; Q215-F219 WeakPolarHBondContact O-CB 3.27Å; Q215-F219 PolarHBondContact O-N 3.42Å
216D98.4Very high97.3Very high6 Ų654.5 Ų54.53%0.03229%0.293CS..Hα-helixtrans-73.3-35.1176.7-66.8-56.6000112.2M139 K209 L212 S213 P214 F219 I220M139-D216 HydrophobicContact CE-CB 4.01Å; M139-D216 WeakPolarHBondContact CE-OD1 3.42Å; M139-D216 HydrophobicContact SD-CB 3.63Å; K209-D216 VanDerWaalsContact NZ-CG 3.34Å; K209-D216 IonicContact NZ-OD1 3.57Å; K209-D216 PolarHBondContact NZ-OD1 3.45Å; K209-D216 IonicContact NZ-OD2 3.36Å; K209-D216 PolarHBondContact NZ-OD2 3.3Å; L212-D216 WeakPolarHBondContact CA-OD2 3.39Å; S213-D216 PolarHBondContact N-OD2 2.95Å; S213-D216 VanDerWaalsContact O-CB 3.27Å; S213-D216 WeakPolarHBondContact O-CB 3.35Å; S213-D216 PolarHBondContact O-N 2.79Å; S213-D216 PolarHBondContact OG-OD2 3.04Å; P214-D216 PolarHBondContact O-N 3.26Å; P214-D216 VanDerWaalsContact O-N 3.09Å; D216-F219 PolarHBondContact O-N 3.4Å; D216-I220 WeakPolarHBondContact O-CD1 3.48Å; D216-I220 WeakPolarHBondContact O-CG1 3.37Å; D216-I220 PolarHBondContact O-N 3.45Å
217V98.6Very high97.5Very high8 Ų854.8 Ų54.85%0.04829%0.287CS..Hα-helixtrans-65.8-47173.1-178.20000109.5L163 P214 F219 I220 A221 V228 V230 S245 A247L163-V217 HydrophobicContact CD2-CG2 3.94Å; P214-V217 WeakPolarHBondContact O-CB 3.38Å; P214-V217 PolarHBondContact O-N 3.44Å; V217-F219 VanDerWaalsContact C-N 3.32Å; V217-F219 PolarHBondContact O-N 2.88Å; V217-I220 PolarHBondContact O-N 3.42Å; V217-A221 WeakPolarHBondContact O-CB 3.41Å; V217-A221 PolarHBondContact O-N 2.89Å; V217-V228 HydrophobicContact CG1-CG1 4.29Å; V217-V230 HydrophobicContact CG1-CG2 4.46Å; V217-V230 HydrophobicContact CG2-CG2 3.87Å; V217-S245 WeakPolarHBondContact CG1-O 3.45Å; V217-A247 HydrophobicContact CG1-CB 4.04Å
218E98.1Very high97.7Very high97 Ų9753.4 Ų53.445%0.45328%0.278SS..Hα-helixtrans-57.5-45.3176.1-63.8170.2-16900111.5P214 A221 S222 S245P214-E218 PolarHBondContact O-N 3.09Å; E218-A221 PolarHBondContact O-N 2.81Å; E218-S222 VanDerWaalsContact O-CB 3.25Å; E218-S222 WeakPolarHBondContact O-CB 3.44Å; E218-S222 PolarHBondContact O-N 3.38Å; E218-S245 WeakPolarHBondContact CG-O 3.32Å
219F98.3Very high97.8Very high41 Ų4153.3 Ų53.318%0.1828%0.277CS..Hα-helixtrans-60.8-47.3177.6172.2-91.3000112.1M139 N143 N146 Q147 L150 Q215 D216 V217 Y223M139-F219 HydrophobicContact CE-CD1 4.04Å; M139-F219 HydrophobicContact CE-CE1 4.36Å; N143-F219 HydrophobicContact CB-CE2 4.25Å; N143-F219 HydrophobicContact CB-CZ 4.17Å; N146-F219 HydrophobicContact CB-CE1 3.89Å; N146-F219 HydrophobicContact CB-CZ 4.23Å; Q147-F219 HydrophobicContact CG-CE2 4.41Å; Q147-F219 HydrophobicContact CG-CZ 3.83Å; L150-F219 HydrophobicContact CD1-CE1 4.15Å; Q215-F219 VanDerWaalsContact O-CB 3.25Å; Q215-F219 WeakPolarHBondContact O-CB 3.27Å; Q215-F219 PolarHBondContact O-N 3.42Å; D216-F219 PolarHBondContact O-N 3.4Å; V217-F219 VanDerWaalsContact C-N 3.32Å; V217-F219 PolarHBondContact O-N 2.88Å; F219-Y223 VanDerWaalsContact O-CB 3.28Å; F219-Y223 WeakPolarHBondContact O-CB 3.41Å; F219-Y223 PolarHBondContact O-N 2.86Å
220I98.5Very high97.9Very high0 Ų052 Ų520%027%0.272CS..Hα-helixtrans-64.3-48.7179.3-66.1161.4000109.8F137 M139 L150 I161 L163 D216 V217 S222 Y223 S224 V228F137-I220 HydrophobicContact CD1-CD1 3.82Å; F137-I220 HydrophobicContact CD1-CG1 4.06Å; F137-I220 HydrophobicContact CE1-CD1 4.21Å; F137-I220 HydrophobicContact CE1-CG1 4.09Å; M139-I220 HydrophobicContact CE-CD1 4.45Å; M139-I220 HydrophobicContact CE-CG1 4.45Å; M139-I220 HydrophobicContact CG-CD1 4.5Å; M139-I220 HydrophobicContact SD-CD1 4.04Å; L150-I220 HydrophobicContact CD1-CG1 4.38Å; L150-I220 HydrophobicContact CD2-CG2 4.13Å; I161-I220 HydrophobicContact CB-CG2 3.92Å; I161-I220 HydrophobicContact CG1-CG2 4.2Å; I161-I220 HydrophobicContact CG2-CG2 3.59Å; L163-I220 HydrophobicContact CB-CD1 4.05Å; L163-I220 HydrophobicContact CD1-CD1 3.85Å; L163-I220 HydrophobicContact CD2-CD1 3.93Å; L163-I220 HydrophobicContact CG-CD1 4.15Å; D216-I220 WeakPolarHBondContact O-CD1 3.48Å; D216-I220 WeakPolarHBondContact O-CG1 3.37Å; D216-I220 PolarHBondContact O-N 3.45Å; V217-I220 PolarHBondContact O-N 3.42Å; I220-S222 PolarHBondContact O-N 2.8Å; I220-Y223 PolarHBondContact O-N 2.81Å; I220-S224 VanDerWaalsContact O-CB 3.28Å; I220-S224 WeakPolarHBondContact O-CB 3.43Å; I220-S224 PolarHBondContact O-N 3.25Å; I220-S224 PolarHBondContact O-OG 2.58Å; I220-V228 HydrophobicContact CB-CG2 4.27Å; I220-V228 HydrophobicContact CG2-CG1 4.17Å; I220-V228 HydrophobicContact CG2-CG2 3.66Å
221A97.1Very high97.9Very high29 Ų2948.9 Ų48.924%0.2426%0.258CS..Hα-helixtrans-59-48.4-179.200000110.9V217 E218 Y223 D225 V228V217-A221 WeakPolarHBondContact O-CB 3.41Å; V217-A221 PolarHBondContact O-N 2.89Å; E218-A221 PolarHBondContact O-N 2.81Å; A221-Y223 PolarHBondContact O-N 2.74Å; A221-D225 PolarHBondContact O-N 2.77Å; A221-D225 VanDerWaalsContact O-N 3.08Å; A221-V228 HydrophobicContact CB-CG2 3.87Å
222S96.2Very high98Very high105 Ų10540.9 Ų40.973%0.73423%0.228SC*.Hα-helixtrans-65.1-38.2180-179.20000113.6E218 I220E218-S222 VanDerWaalsContact O-CB 3.25Å; E218-S222 WeakPolarHBondContact O-CB 3.44Å; E218-S222 PolarHBondContact O-N 3.38Å; I220-S222 PolarHBondContact O-N 2.8Å
223Y96.8Very high98Very high95 Ų9538.9 Ų38.937%0.37322%0.217SC..Hα-helixtrans-87.1-39.9-173.6-167.4-90.1000112.9Q147 L150 S151 F219 I220 A221Q147-Y223 HydrophobicContact CB-CD1 4.29Å; Q147-Y223 HydrophobicContact CB-CE1 3.63Å; Q147-Y223 HydrophobicContact CB-CE2 3.94Å; Q147-Y223 VanDerWaalsContact CB-CZ 3.43Å; Q147-Y223 HydrophobicContact CG-CD1 4.08Å; Q147-Y223 HydrophobicContact CG-CD2 3.75Å; Q147-Y223 HydrophobicContact CG-CE1 3.82Å; Q147-Y223 HydrophobicContact CG-CE2 3.44Å; Q147-Y223 VanDerWaalsContact CG-CE2 3.44Å; Q147-Y223 HydrophobicContact CG-CG 4.06Å; Q147-Y223 VanDerWaalsContact CG-CZ 3.5Å; Q147-Y223 VanDerWaalsContact O-CE1 3.24Å; Q147-Y223 WeakPolarHBondContact O-CE1 3.29Å; L150-Y223 HydrophobicContact CB-CD1 3.98Å; L150-Y223 HydrophobicContact CB-CE1 4.39Å; L150-Y223 HydrophobicContact CD1-CD1 4.03Å; S151-Y223 WeakPolarHBondContact OG-CE1 3.1Å; S151-Y223 PolarHBondContact OG-OH 3.36Å; F219-Y223 VanDerWaalsContact O-CB 3.28Å; F219-Y223 WeakPolarHBondContact O-CB 3.41Å; F219-Y223 PolarHBondContact O-N 2.86Å; I220-Y223 PolarHBondContact O-N 2.81Å; A221-Y223 PolarHBondContact O-N 2.74Å
224S96.5Very high98Very high1 Ų138.9 Ų38.91%0.00721%0.213CC..Hα-helixtrans-75.4-32.6178.666.70000112.3K154 I220 L226K154-S224 WeakPolarHBondContact CD-O 3.39Å; K154-S224 PolarHBondContact NZ-O 3.2Å; I220-S224 VanDerWaalsContact O-CB 3.28Å; I220-S224 WeakPolarHBondContact O-CB 3.43Å; I220-S224 PolarHBondContact O-N 3.25Å; I220-S224 PolarHBondContact O-OG 2.58Å; S224-L226 PolarHBondContact O-N 3.29Å; S224-L226 PolarHBondContact OG-N 2.88Å
225D95.5Very high98Very high126 Ų12638.3 Ų38.367%0.67421%0.21SC*.  trans53.344.2-170.9177.855.5000110.4K154 A221K154-D225 IonicContact NZ-OD2 3.52Å; K154-D225 PolarHBondContact NZ-OD2 3.42Å; A221-D225 PolarHBondContact O-N 2.77Å; A221-D225 VanDerWaalsContact O-N 3.08Å
226L98Very high98Very high32 Ų3238.6 Ų38.617%0.16821%0.211CC..SBendtrans-134154.2177.6-66.8174.1000109.1A158 I161 S224 V228A158-L226 HydrophobicContact CB-CD1 4.35Å; A158-L226 VanDerWaalsContact O-CD1 3.23Å; A158-L226 WeakPolarHBondContact O-CD1 3.33Å; I161-L226 HydrophobicContact CD1-CD1 3.99Å; I161-L226 HydrophobicContact CG1-CB 4.27Å; I161-L226 HydrophobicContact CG1-CD1 4.13Å; S224-L226 PolarHBondContact O-N 3.29Å; S224-L226 PolarHBondContact OG-N 2.88Å; L226-V228 PolarHBondContact O-N 3.37Å
227P98.4Very high98Very high45 Ų4544.5 Ų44.529%0.29224%0.239SC..  trans-53.4135.2169.5-25.533.8000112.1K159 A160 I161 Y229 S248K159-P227 WeakPolarHBondContact O-CD 3.39Å; A160-P227 WeakPolarHBondContact CA-O 3.39Å; A160-P227 HydrophobicContact CB-CB 4.26Å; I161-P227 PolarHBondContact N-O 3.47Å; P227-Y229 HydrophobicContact CB-CE2 4.41Å; P227-S248 WeakPolarHBondContact CA-OG 3.31Å
228V98.8Very high98Very high0 Ų046.5 Ų46.50%025%0.249CC..EExtended strand (participates in β ladder)trans-112119.9178.9-174.30000110.6I161 V217 I220 A221 L226 A247 S248 G249I161-V228 CarbonylContact O-C 3.54Å; I161-V228 WeakPolarHBondContact O-CA 3.4Å; V217-V228 HydrophobicContact CG1-CG1 4.29Å; I220-V228 HydrophobicContact CB-CG2 4.27Å; I220-V228 HydrophobicContact CG2-CG1 4.17Å; I220-V228 HydrophobicContact CG2-CG2 3.66Å; A221-V228 HydrophobicContact CB-CG2 3.87Å; L226-V228 PolarHBondContact O-N 3.37Å; V228-A247 CarbonylContact O-C 3.54Å; V228-A247 WeakPolarHBondContact O-CA 3.42Å; V228-S248 PolarHBondContact N-OG 3.4Å; V228-S248 PolarHBondContact O-N 3.28Å; V228-G249 PolarHBondContact O-N 3.45Å
229Y98.9Very high98Very high1 Ų141.9 Ų41.90%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-96130.5169.9-72.5-102.4000109.9F71 D72 W134 A160 I161 V162 L163 P227 G249 P282 V284F71-Y229 WeakPolarHBondContact CE1-OH 3.26Å; F71-Y229 HydrophobicContact CZ-CE1 4.38Å; F71-Y229 WeakPolarHBondContact CZ-OH 3.44Å; D72-Y229 PolarHBondContact OD2-OH 2.67Å; W134-Y229 HydrophobicContact CH2-CD1 4.46Å; W134-Y229 HydrophobicContact CH2-CD2 4.11Å; W134-Y229 AromaticContact CH2-CE1 3.97Å; W134-Y229 HydrophobicContact CH2-CE1 3.97Å; W134-Y229 AromaticContact CH2-CE2 3.6Å; W134-Y229 HydrophobicContact CH2-CE2 3.6Å; W134-Y229 AromaticContact CH2-CZ 3.54Å; W134-Y229 HydrophobicContact CZ2-CE2 4.02Å; W134-Y229 HydrophobicContact CZ3-CD1 4.32Å; W134-Y229 AromaticContact CZ3-CD2 3.98Å; W134-Y229 HydrophobicContact CZ3-CD2 3.98Å; W134-Y229 HydrophobicContact CZ3-CE1 4.29Å; W134-Y229 AromaticContact CZ3-CE2 3.96Å; W134-Y229 HydrophobicContact CZ3-CE2 3.96Å; W134-Y229 HydrophobicContact CZ3-CG 4.19Å; A160-Y229 HydrophobicContact CB-CD2 4.15Å; A160-Y229 HydrophobicContact CB-CE2 4.12Å; I161-Y229 PolarHBondContact O-N 3.47Å; V162-Y229 CarbonylContact C-O 3.58Å; V162-Y229 WeakPolarHBondContact CA-O 3.24Å; L163-Y229 PolarHBondContact N-O 3.28Å; P227-Y229 HydrophobicContact CB-CE2 4.41Å; Y229-G249 WeakPolarHBondContact CA-O 3.43Å; Y229-P282 HydrophobicContact CE1-CG 4.04Å; Y229-P282 WeakPolarHBondContact OH-CG 3.43Å; Y229-V284 HydrophobicContact CD1-CG2 4.02Å; Y229-V284 HydrophobicContact CE1-CG2 3.87Å
230V98.9Very high98Very high14 Ų1443.8 Ų43.89%0.08524%0.237CC..EExtended strand (participates in β ladder)trans-93.2113.5170.3179.60000108.7A165 V217 V233 A242 A247 G249 W251A165-V230 HydrophobicContact CB-CG1 4.42Å; V217-V230 HydrophobicContact CG1-CG2 4.46Å; V217-V230 HydrophobicContact CG2-CG2 3.87Å; V230-V233 HydrophobicContact CB-CG2 4.4Å; V230-V233 HydrophobicContact CG1-CG2 3.98Å; V230-A242 HydrophobicContact CB-CB 3.91Å; V230-A242 HydrophobicContact CG1-CB 4.23Å; V230-A242 HydrophobicContact CG2-CB 3.81Å; V230-A247 HydrophobicContact CG2-CB 3.78Å; V230-G249 PolarHBondContact N-O 3.39Å; V230-W251 PolarHBondContact O-N 3.03Å
231K98.9Very high98Very high5 Ų549.8 Ų49.82%0.02226%0.26CS..EExtended strand (participates in β ladder)trans-98.8135.6-179.2178.4179.6-178.3-58.20111.9P84 V162 L163 A165 D166 W251 S253 D286P84-K231 HydrophobicContact CG-CD 4.07Å; V162-K231 HydrophobicContact CG1-CB 3.58Å; V162-K231 HydrophobicContact CG1-CD 4.08Å; V162-K231 HydrophobicContact CG1-CG 4.42Å; L163-K231 PolarHBondContact O-N 2.85Å; A165-K231 PolarHBondContact N-O 2.72Å; D166-K231 IonicContact OD2-NZ 2.68Å; K231-W251 WeakPolarHBondContact CA-O 3.47Å; K231-W251 HydrophobicContact CB-CB 3.84Å; K231-W251 HydrophobicContact CB-CD2 4.25Å; K231-W251 HydrophobicContact CB-CG 3.92Å; K231-W251 HydrophobicContact CD-CD2 3.96Å; K231-W251 HydrophobicContact CD-CE3 4.47Å; K231-W251 HydrophobicContact CD-CG 4.17Å; K231-W251 HydrophobicContact CD-CZ2 4.43Å; K231-W251 HydrophobicContact CG-CB 4.16Å; K231-W251 HydrophobicContact CG-CD2 4.06Å; K231-W251 HydrophobicContact CG-CG 3.75Å; K231-S253 PolarHBondContact NZ-OG 3.19Å; K231-D286 VanDerWaalsContact CE-OD2 3.31Å; K231-D286 WeakPolarHBondContact CE-OD2 3.41Å; K231-D286 IonicContact NZ-OD2 2.81Å
232G98.7Very high98.1Very high16 Ų1648.7 Ų48.717%0.16525%0.25CS..EExtended strand (participates in β ladder)trans111.96.5-178.200000113.8D166 W251 S253D166-G232 WeakPolarHBondContact OD2-CA 3.44Å; G232-W251 PolarHBondContact N-O 3.08Å; G232-S253 CarbonylContact C-O 3.49Å; G232-S253 WeakPolarHBondContact CA-O 3.28Å
233V98.8Very high98.2Very high4 Ų445.1 Ų45.12%0.02422%0.223CC..EExtended strand (participates in β ladder)trans-71.2130.9-177.1178.20000109.5V230 D238 V239 I250 W251 V252 V273V230-V233 HydrophobicContact CB-CG2 4.4Å; V230-V233 HydrophobicContact CG1-CG2 3.98Å; V233-D238 HydrophobicContact CG1-CB 4.03Å; V233-D238 HydrophobicContact CG2-CB 4.49Å; V233-V239 HydrophobicContact CG1-CG2 3.76Å; V233-I250 HydrophobicContact CB-CG2 3.84Å; V233-I250 HydrophobicContact CG1-CG2 3.87Å; V233-I250 HydrophobicContact CG2-CD1 4.47Å; V233-I250 HydrophobicContact CG2-CG2 4.07Å; V233-W251 PolarHBondContact N-O 3.27Å; V233-V252 WeakPolarHBondContact O-CA 3.36Å; V233-V273 HydrophobicContact CG1-CG1 4.22Å; V233-V273 HydrophobicContact CG1-CG2 4.07Å
234Q98.7Very high98.3Very high38 Ų3843.8 Ų43.818%0.17824%0.239CC..  trans-135.20.2178.6-66.8-71.5-80.700112.7S253 S269Q234-S253 PolarHBondContact NE2-O 3.32Å; Q234-S269 PolarHBondContact OE1-OG 3.03Å
235S98.2Very high98.3Very high30 Ų3044.2 Ų44.221%0.2124%0.241CC..SBendtrans-139.4158.5-171.870.20000112.1E237 D238 V239S235-E237 WeakPolarHBondContact CB-OE2 3.44Å; S235-D238 WeakPolarHBondContact OG-CB 3.26Å; S235-D238 PolarHBondContact OG-N 3.49Å; S235-D238 PolarHBondContact OG-OD2 3.05Å; S235-V239 WeakPolarHBondContact O-CG2 3.26Å; S235-V239 PolarHBondContact O-N 2.82Å
236E97.9Very high98.4Very high118 Ų11840.2 Ų40.255%0.55123%0.23SC*.Hα-helixtrans-62.6-42.3173.4174.3179.1171.200111.4D238 V239 E240 A276E236-D238 VanDerWaalsContact C-N 3.25Å; E236-D238 PolarHBondContact O-N 3.02Å; E236-V239 WeakPolarHBondContact O-CB 3.5Å; E236-V239 PolarHBondContact O-N 2.81Å; E236-E240 PolarHBondContact O-N 3.02Å; E236-A276 HydrophobicContact CB-CB 3.91Å; E236-A276 HydrophobicContact CG-CB 3.73Å
237E98Very high98.5Very high129 Ų12939.1 Ų39.160%0.60323%0.226SC*.Hα-helixtrans-63.5-34.2-177.6-61.489.9159.300112.2S235 R241S235-E237 WeakPolarHBondContact CB-OE2 3.44Å; E237-R241 WeakPolarHBondContact O-CB 3.41Å; E237-R241 PolarHBondContact O-N 3.28Å
238D98.4Very high98.5Very high50 Ų5039.5 Ų39.527%0.26723%0.229SC..Hα-helixtrans-74.8-29.9175.6-67.4-32000112.2V233 S235 E236 R241 A242V233-D238 HydrophobicContact CG1-CB 4.03Å; V233-D238 HydrophobicContact CG2-CB 4.49Å; S235-D238 WeakPolarHBondContact OG-CB 3.26Å; S235-D238 PolarHBondContact OG-N 3.49Å; S235-D238 PolarHBondContact OG-OD2 3.05Å; E236-D238 VanDerWaalsContact C-N 3.25Å; E236-D238 PolarHBondContact O-N 3.02Å; D238-R241 IonicContact OD1-CZ 2.66Å; D238-R241 IonicContact OD1-NH1 3.3Å; D238-R241 PolarHBondContact OD1-NH1 3.05Å; D238-R241 IonicContact OD1-NH2 2.85Å; D238-R241 PolarHBondContact OD1-NH2 3.32Å; D238-A242 WeakPolarHBondContact O-CB 3.29Å; D238-A242 PolarHBondContact O-N 3.28Å
239V98.7Very high98.5Very high0 Ų039.5 Ų39.50%023%0.229CC..Hα-helixtrans-61.4-52.8170.1171.70000110V233 S235 E236 R241 A242 L243 V273 A276 V277V233-V239 HydrophobicContact CG1-CG2 3.76Å; S235-V239 WeakPolarHBondContact O-CG2 3.26Å; S235-V239 PolarHBondContact O-N 2.82Å; E236-V239 WeakPolarHBondContact O-CB 3.5Å; E236-V239 PolarHBondContact O-N 2.81Å; V239-R241 VanDerWaalsContact C-N 3.3Å; V239-R241 PolarHBondContact O-N 2.85Å; V239-A242 PolarHBondContact O-N 3.02Å; V239-L243 HydrophobicContact CG1-CD1 3.86Å; V239-L243 HydrophobicContact CG1-CG 4.27Å; V239-L243 WeakPolarHBondContact O-CG 3.36Å; V239-L243 PolarHBondContact O-N 3.46Å; V239-V273 HydrophobicContact CG2-CB 4.32Å; V239-V273 HydrophobicContact CG2-CG1 3.61Å; V239-V273 HydrophobicContact CG2-CG2 4.34Å; V239-A276 HydrophobicContact CB-CB 4.18Å; V239-A276 HydrophobicContact CG1-CB 4.2Å; V239-A276 HydrophobicContact CG2-CB 4.17Å; V239-V277 HydrophobicContact CB-CG2 4.48Å; V239-V277 HydrophobicContact CG1-CB 4.39Å; V239-V277 HydrophobicContact CG1-CG2 3.57Å; V239-V277 HydrophobicContact CG2-CG2 4Å
240E98.4Very high98.5Very high81 Ų8139.4 Ų39.438%0.37923%0.229SC..Hα-helixtrans-62-40.7-179.3-65.1-51145.800111.7E236 G244 R280E236-E240 PolarHBondContact O-N 3.02Å; E240-G244 WeakPolarHBondContact O-CA 3.49Å; E240-G244 PolarHBondContact O-N 2.94Å; E240-R280 IonicContact OE1-CZ 2.61Å; E240-R280 IonicContact OE1-NH1 2.8Å; E240-R280 PolarHBondContact OE1-NH1 3.34Å; E240-R280 IonicContact OE1-NH2 3.08Å; E240-R280 PolarHBondContact OE1-NH2 3.33Å; E240-R280 IonicContact OE2-CZ 3.24Å; E240-R280 IonicContact OE2-NH1 3.73Å; E240-R280 PolarHBondContact OE2-NH1 3.06Å; E240-R280 IonicContact OE2-NH2 3.18Å
241R98.4Very high98.5Very high126 Ų12638.8 Ų38.848%0.47523%0.225SC..Hα-helixtrans-63.9-46.2176.2-166.1-176-53123.914.6111.4P214 E237 D238 V239 S245P214-R241 HydrophobicContact CG-CG 3.83Å; E237-R241 WeakPolarHBondContact O-CB 3.41Å; E237-R241 PolarHBondContact O-N 3.28Å; D238-R241 IonicContact OD1-CZ 2.66Å; D238-R241 IonicContact OD1-NH1 3.3Å; D238-R241 PolarHBondContact OD1-NH1 3.05Å; D238-R241 IonicContact OD1-NH2 2.85Å; D238-R241 PolarHBondContact OD1-NH2 3.32Å; V239-R241 VanDerWaalsContact C-N 3.3Å; V239-R241 PolarHBondContact O-N 2.85Å; R241-S245 WeakPolarHBondContact O-CB 3.28Å; R241-S245 PolarHBondContact O-N 3.02Å; R241-S245 PolarHBondContact O-OG 2.84Å
242A98.6Very high98.5Very high6 Ų638.5 Ų38.55%0.0522%0.224CC..Hα-helixtrans-64.7-53.4-178.500000111.7V230 D238 V239 G244 S245 A247 I250V230-A242 HydrophobicContact CB-CB 3.91Å; V230-A242 HydrophobicContact CG1-CB 4.23Å; V230-A242 HydrophobicContact CG2-CB 3.81Å; D238-A242 WeakPolarHBondContact O-CB 3.29Å; D238-A242 PolarHBondContact O-N 3.28Å; V239-A242 PolarHBondContact O-N 3.02Å; A242-G244 PolarHBondContact O-N 3.42Å; A242-S245 PolarHBondContact O-N 3.29Å; A242-S245 VanDerWaalsContact O-N 3.12Å; A242-A247 HydrophobicContact CB-CB 4.12Å; A242-A247 WeakPolarHBondContact O-CB 3.34Å; A242-A247 PolarHBondContact O-N 3.42Å; A242-A247 VanDerWaalsContact O-N 3.1Å; A242-I250 HydrophobicContact CB-CD1 3.63Å
243L98.5Very high98.5Very high30 Ų3037.8 Ų37.816%0.15722%0.216CC..Hα-helixtrans-65.6-40.3-179.2-62.5-174.7000111.6V239 S245 G246 A247 I250 R280 A281V239-L243 HydrophobicContact CG1-CD1 3.86Å; V239-L243 HydrophobicContact CG1-CG 4.27Å; V239-L243 WeakPolarHBondContact O-CG 3.36Å; V239-L243 PolarHBondContact O-N 3.46Å; L243-S245 PolarHBondContact O-N 3.4Å; L243-G246 PolarHBondContact O-N 3.41Å; L243-A247 HydrophobicContact CD2-CB 4.44Å; L243-I250 HydrophobicContact CD2-CD1 3.92Å; L243-I250 HydrophobicContact CD2-CG1 4.04Å; L243-I250 HydrophobicContact CG-CD1 4.15Å; L243-I250 HydrophobicContact CG-CG1 4.39Å; L243-R280 HydrophobicContact CD1-CB 4.12Å; L243-A281 HydrophobicContact CD1-CB 4.48Å; L243-A281 HydrophobicContact CD2-CB 3.65Å
244G98.2Very high98.5Very high68 Ų6838.4 Ų38.470%0.70122%0.219SC*.Hα-helixtrans-63-19.4174.900000114.2E240 A242E240-G244 WeakPolarHBondContact O-CA 3.49Å; E240-G244 PolarHBondContact O-N 2.94Å; A242-G244 PolarHBondContact O-N 3.42Å
245S98Very high98.5Very high9 Ų938.1 Ų38.16%0.06322%0.218CC..THydrogen-bonded Turntrans-95.77.1176-48.10000113.3P214 V217 E218 R241 A242 L243P214-S245 WeakPolarHBondContact CA-OG 3.38Å; P214-S245 WeakPolarHBondContact CB-OG 3.24Å; P214-S245 WeakPolarHBondContact O-CB 3.24Å; V217-S245 WeakPolarHBondContact CG1-O 3.45Å; E218-S245 WeakPolarHBondContact CG-O 3.32Å; R241-S245 WeakPolarHBondContact O-CB 3.28Å; R241-S245 PolarHBondContact O-N 3.02Å; R241-S245 PolarHBondContact O-OG 2.84Å; A242-S245 PolarHBondContact O-N 3.29Å; A242-S245 VanDerWaalsContact O-N 3.12Å; L243-S245 PolarHBondContact O-N 3.4Å
246G97.5Very high98.5Very high42 Ų4237.1 Ų37.143%0.43321%0.212SC..THydrogen-bonded Turntrans89.615178.600000115.4L243 S248L243-G246 PolarHBondContact O-N 3.41Å; G246-S248 PolarHBondContact O-N 3Å
247A98.7Very high98.5Very high10 Ų1031.5 Ų31.58%0.08319%0.187CC..  trans-59.9135169.700000110.2V217 V228 V230 A242 L243V217-A247 HydrophobicContact CG1-CB 4.04Å; V228-A247 CarbonylContact O-C 3.54Å; V228-A247 WeakPolarHBondContact O-CA 3.42Å; V230-A247 HydrophobicContact CG2-CB 3.78Å; A242-A247 HydrophobicContact CB-CB 4.12Å; A242-A247 WeakPolarHBondContact O-CB 3.34Å; A242-A247 PolarHBondContact O-N 3.42Å; A242-A247 VanDerWaalsContact O-N 3.1Å; L243-A247 HydrophobicContact CD2-CB 4.44Å
248S98.6Very high98.6Very high52 Ų5226.4 Ų26.436%0.36416%0.162SC..SBendtrans-88.9-11.7177.8-450000112.5P227 V228 G246 P282P227-S248 WeakPolarHBondContact CA-OG 3.31Å; V228-S248 PolarHBondContact N-OG 3.4Å; V228-S248 PolarHBondContact O-N 3.28Å; G246-S248 PolarHBondContact O-N 3Å; S248-P282 VanDerWaalsContact O-CD 3.31Å; S248-P282 WeakPolarHBondContact O-CD 3.45Å
249G98.8Very high98.6Very high0 Ų024.8 Ų24.80%015%0.153CC..EExtended strand (participates in β ladder)trans-161.6159.7-179.300000112.8V228 Y229 V230 P282V228-G249 PolarHBondContact O-N 3.45Å; Y229-G249 WeakPolarHBondContact CA-O 3.43Å; V230-G249 PolarHBondContact N-O 3.39Å; G249-P282 WeakPolarHBondContact CA-O 3.36Å
250I98.9Very high98.5Very high0 Ų031.6 Ų31.60%019%0.188CC..EExtended strand (participates in β ladder)trans-112.5136.8178.4-62.5-59.5000109.1V233 A242 L243 V252 V273 V277 P282 I283 V284V233-I250 HydrophobicContact CB-CG2 3.84Å; V233-I250 HydrophobicContact CG1-CG2 3.87Å; V233-I250 HydrophobicContact CG2-CD1 4.47Å; V233-I250 HydrophobicContact CG2-CG2 4.07Å; A242-I250 HydrophobicContact CB-CD1 3.63Å; L243-I250 HydrophobicContact CD2-CD1 3.92Å; L243-I250 HydrophobicContact CD2-CG1 4.04Å; L243-I250 HydrophobicContact CG-CD1 4.15Å; L243-I250 HydrophobicContact CG-CG1 4.39Å; I250-V252 HydrophobicContact CG2-CG2 4.25Å; I250-V273 HydrophobicContact CG2-CG1 3.79Å; I250-V277 HydrophobicContact CB-CG2 4.23Å; I250-V277 HydrophobicContact CG1-CG2 3.79Å; I250-P282 PolarHBondContact N-O 3.49Å; I250-I283 CarbonylContact O-C 3.39Å; I250-I283 WeakPolarHBondContact O-CA 3.42Å; I250-V284 PolarHBondContact O-N 3.16Å
251W98.9Very high98.5Very high0 Ų029.6 Ų29.60%018%0.18CC..EExtended strand (participates in β ladder)trans-121103.1173.6-172.6-26.4000110.6I81 A83 P84 T111 W134 V162 V230 K231 G232 V233 S253 V284 D286 A307I81-W251 HydrophobicContact CD1-CH2 3.99Å; I81-W251 HydrophobicContact CD1-CZ3 4.39Å; A83-W251 HydrophobicContact CB-CZ2 4.42Å; P84-W251 HydrophobicContact CG-CH2 4.26Å; P84-W251 HydrophobicContact CG-CZ2 4.47Å; T111-W251 HydrophobicContact CG2-CH2 4.38Å; T111-W251 HydrophobicContact CG2-CZ3 4.4Å; W134-W251 AromaticContact CE3-CZ3 3.99Å; W134-W251 HydrophobicContact CE3-CZ3 3.99Å; W134-W251 HydrophobicContact CZ3-CE3 4.37Å; W134-W251 AromaticContact CZ3-CZ3 3.98Å; W134-W251 HydrophobicContact CZ3-CZ3 3.98Å; V162-W251 HydrophobicContact CB-CE3 4.39Å; V162-W251 HydrophobicContact CB-CZ3 4.38Å; V162-W251 HydrophobicContact CG1-CD2 4.32Å; V162-W251 HydrophobicContact CG1-CE3 3.52Å; V162-W251 HydrophobicContact CG1-CZ3 3.85Å; V162-W251 HydrophobicContact CG2-CE3 3.93Å; V162-W251 HydrophobicContact CG2-CZ3 3.66Å; V230-W251 PolarHBondContact O-N 3.03Å; K231-W251 WeakPolarHBondContact CA-O 3.47Å; K231-W251 HydrophobicContact CB-CB 3.84Å; K231-W251 HydrophobicContact CB-CD2 4.25Å; K231-W251 HydrophobicContact CB-CG 3.92Å; K231-W251 HydrophobicContact CD-CD2 3.96Å; K231-W251 HydrophobicContact CD-CE3 4.47Å; K231-W251 HydrophobicContact CD-CG 4.17Å; K231-W251 HydrophobicContact CD-CZ2 4.43Å; K231-W251 HydrophobicContact CG-CB 4.16Å; K231-W251 HydrophobicContact CG-CD2 4.06Å; K231-W251 HydrophobicContact CG-CG 3.75Å; G232-W251 PolarHBondContact N-O 3.08Å; V233-W251 PolarHBondContact N-O 3.27Å; W251-S253 PolarHBondContact O-N 3.27Å; W251-V284 CarbonylContact C-O 3.59Å; W251-V284 VanDerWaalsContact CA-O 3.26Å; W251-V284 WeakPolarHBondContact CA-O 3.39Å; W251-V284 HydrophobicContact CB-CB 4.1Å; W251-V284 HydrophobicContact CD2-CB 3.75Å; W251-V284 HydrophobicContact CD2-CG1 3.56Å; W251-V284 HydrophobicContact CD2-CG2 4.5Å; W251-V284 VanDerWaalsContact CE2-CG1 3.48Å; W251-V284 HydrophobicContact CE3-CB 4.07Å; W251-V284 HydrophobicContact CE3-CG1 3.96Å; W251-V284 HydrophobicContact CE3-CG2 4.33Å; W251-V284 HydrophobicContact CG-CB 3.77Å; W251-V284 HydrophobicContact CG-CG1 3.95Å; W251-V284 HydrophobicContact CH2-CG1 4.13Å; W251-V284 HydrophobicContact CZ2-CG1 3.81Å; W251-V284 HydrophobicContact CZ3-CG1 4.21Å; W251-D286 PolarHBondContact NE1-OD2 3.01Å; W251-A307 HydrophobicContact CH2-CB 4.12Å; W251-A307 HydrophobicContact CZ2-CB 3.41Å; W251-A307 VanDerWaalsContact CZ2-CB 3.41Å
252V98.9Very high98.5Very high0 Ų026.4 Ų26.40%019%0.187CC..EExtended strand (participates in β ladder)trans-73.5112.6178.4-176.30000109.5V233 I250 L270 V273 I283 V284 F285 D286V233-V252 WeakPolarHBondContact O-CA 3.36Å; I250-V252 HydrophobicContact CG2-CG2 4.25Å; V252-L270 HydrophobicContact CB-CD1 4.32Å; V252-L270 HydrophobicContact CG1-CB 4.23Å; V252-L270 HydrophobicContact CG2-CD1 4Å; V252-V273 HydrophobicContact CG2-CB 3.87Å; V252-V273 HydrophobicContact CG2-CG1 3.4Å; V252-V273 HydrophobicContact CG2-CG2 4.3Å; V252-I283 HydrophobicContact CG2-CG2 3.94Å; V252-V284 PolarHBondContact N-O 3.41Å; V252-F285 HydrophobicContact CB-CD2 4.16Å; V252-F285 HydrophobicContact CG1-CD2 4.06Å; V252-D286 PolarHBondContact O-N 3.19Å
253S98.9Very high98.4Very high0 Ų026.9 Ų26.90%019%0.192CC..  trans-157145.5-175.6-173.30000110K231 G232 Q234 W251 H255 D286K231-S253 PolarHBondContact NZ-OG 3.19Å; G232-S253 CarbonylContact C-O 3.49Å; G232-S253 WeakPolarHBondContact CA-O 3.28Å; Q234-S253 PolarHBondContact NE2-O 3.32Å; W251-S253 PolarHBondContact O-N 3.27Å; S253-H255 PolarHBondContact OG-N 3.1Å; S253-D286 WeakPolarHBondContact CA-OD1 3.46Å; S253-D286 WeakPolarHBondContact CB-OD1 3.28Å; S253-D286 VanDerWaalsContact OG-CG 3.25Å; S253-D286 PolarHBondContact OG-OD1 2.87Å; S253-D286 PolarHBondContact OG-OD2 3.12Å
254N98.8Very high98.4Very high18 Ų1828.9 Ų28.910%0.09621%0.206CC..  trans-114.528.1161.166.519000111.3T41 N45 G256 G257 P264 S266 S287T41-N254 VanDerWaalsContact CG2-ND2 3.32Å; T41-N254 WeakPolarHBondContact CG2-ND2 3.5Å; N45-N254 PolarHBondContact ND2-ND2 3.25Å; N45-N254 PolarHBondContact ND2-OD1 3.3Å; N45-N254 PolarHBondContact OD1-ND2 2.93Å; N45-N254 PolarHBondContact OD1-OD1 3.49Å; N254-G256 PolarHBondContact O-N 3.36Å; N254-G256 PolarHBondContact OD1-N 3.23Å; N254-G257 PolarHBondContact O-N 2.95Å; N254-G257 VanDerWaalsContact O-N 3.15Å; N254-G257 PolarHBondContact OD1-N 3.23Å; N254-P264 PolarHBondContact ND2-O 3.08Å; N254-P264 VanDerWaalsContact ND2-O 3.09Å; N254-S266 PolarHBondContact ND2-N 2.79Å; N254-S287 VanDerWaalsContact OD1-CB 3.29Å; N254-S287 WeakPolarHBondContact OD1-CB 3.25Å; N254-S287 PolarHBondContact OD1-OG 3.46Å
255H98.7Very high98.4Very high31 Ų3125.9 Ų25.914%0.14418%0.175CC..THydrogen-bonded Turntrans60.331.4-179.5-140.8106.3000113.6Y138 D166 S253 G257 R258 Q259Y138-H255 PolarHBondContact OH-CE1 3.36Å; D166-H255 IonicContact OD1-CE1 2.84Å; D166-H255 IonicContact OD1-CG 2.58Å; D166-H255 IonicContact OD1-ND1 3.42Å; D166-H255 PolarHBondContact OD1-ND1 3.5Å; D166-H255 IonicContact OD2-CG 2.85Å; D166-H255 PolarHBondContact OD2-N 2.82Å; D166-H255 IonicContact OD2-ND1 3.53Å; D166-H255 PolarHBondContact OD2-ND1 3.09Å; S253-H255 PolarHBondContact OG-N 3.1Å; H255-G257 VanDerWaalsContact C-N 3.3Å; H255-G257 PolarHBondContact O-N 3.39Å; H255-R258 VanDerWaalsContact O-CB 3.24Å; H255-R258 WeakPolarHBondContact O-CB 3.18Å; H255-R258 VanDerWaalsContact O-CD 3.3Å; H255-R258 WeakPolarHBondContact O-CD 3.42Å; H255-R258 WeakPolarHBondContact O-CG 3.16Å; H255-R258 PolarHBondContact O-N 2.97Å; H255-Q259 HydrophobicContact CB-CB 4.28Å; H255-Q259 HydrophobicContact CB-CG 3.5Å; H255-Q259 VanDerWaalsContact CB-CG 3.5Å
256G98.6Very high98.5Very high9 Ų925.5 Ų25.59%0.09317%0.172CC..THydrogen-bonded Turntrans63.635.5-176.900000113Y42 N254 R258 S287 R310Y42-G256 WeakPolarHBondContact CD2-O 3.33Å; N254-G256 PolarHBondContact O-N 3.36Å; N254-G256 PolarHBondContact OD1-N 3.23Å; G256-R258 VanDerWaalsContact C-N 3.32Å; G256-R258 PolarHBondContact O-N 3.24Å; G256-S287 WeakPolarHBondContact CA-OG 3.45Å; G256-S287 PolarHBondContact N-OG 3.46Å; G256-R310 PolarHBondContact O-NH1 2.77Å; G256-R310 PolarHBondContact O-NH2 2.93Å
257G98.6Very high98.5Very high1 Ų123.5 Ų23.51%0.0115%0.152CC..THydrogen-bonded Turntrans69.125.9-179.700000113.9G35 A36 N45 N254 H255G35-G257 CarbonylContact C-O 3.53Å; G35-G257 WeakPolarHBondContact CA-O 3.34Å; A36-G257 PolarHBondContact N-O 3.13Å; N45-G257 PolarHBondContact ND2-N 2.99Å; N254-G257 PolarHBondContact O-N 2.95Å; N254-G257 VanDerWaalsContact O-N 3.15Å; N254-G257 PolarHBondContact OD1-N 3.23Å; H255-G257 VanDerWaalsContact C-N 3.3Å; H255-G257 PolarHBondContact O-N 3.39Å
258R98.6Very high98.5Very high21 Ų2124.9 Ų24.98%0.07916%0.158CC..THydrogen-bonded Turntrans-99.8-5.4-173.9-66172.660.878.4-20.7114.6Y31 S34 R173 H255 G256 R310Y31-R258 PolarHBondContact O-NH1 2.93Å; Y31-R258 PolarHBondContact O-NH2 3.34Å; S34-R258 PolarHBondContact O-NH1 2.83Å; S34-R258 VanDerWaalsContact O-NH1 3.09Å; R173-R258 VanDerWaalsContact CZ-CZ 3.46Å; R173-R258 PolarHBondContact NE-O 3.11Å; R173-R258 VanDerWaalsContact NH1-CZ 3.26Å; H255-R258 VanDerWaalsContact O-CB 3.24Å; H255-R258 WeakPolarHBondContact O-CB 3.18Å; H255-R258 VanDerWaalsContact O-CD 3.3Å; H255-R258 WeakPolarHBondContact O-CD 3.42Å; H255-R258 WeakPolarHBondContact O-CG 3.16Å; H255-R258 PolarHBondContact O-N 2.97Å; G256-R258 VanDerWaalsContact C-N 3.32Å; G256-R258 PolarHBondContact O-N 3.24Å; R258-R310 VanDerWaalsContact CG-NH2 3.29Å
259Q98.3Very high98.5Very high17 Ų1722.6 Ų22.68%0.07914%0.142CC..SBendtrans-116.7-100.2-170.9-64.8-61.1108.200111A36 D166 A167 V169 G171 H255 D261A36-Q259 WeakPolarHBondContact CB-O 3.34Å; D166-Q259 WeakPolarHBondContact O-CG 3.44Å; D166-Q259 PolarHBondContact O-NE2 3.45Å; D166-Q259 VanDerWaalsContact O-NE2 3.09Å; A167-Q259 VanDerWaalsContact CA-NE2 3.26Å; A167-Q259 HydrophobicContact CB-CG 4.37Å; A167-Q259 VanDerWaalsContact CB-NE2 3.28Å; V169-Q259 PolarHBondContact O-NE2 2.59Å; G171-Q259 WeakPolarHBondContact CA-O 3.46Å; H255-Q259 HydrophobicContact CB-CB 4.28Å; H255-Q259 HydrophobicContact CB-CG 3.5Å; H255-Q259 VanDerWaalsContact CB-CG 3.5Å; Q259-D261 PolarHBondContact O-N 3.01Å
260L98.2Very high98.5Very high142 Ų14222.6 Ų22.674%0.74314%0.142SC*.  trans-83.891.9180-170.671.7000111G263L260-G263 PolarHBondContact O-N 2.9Å
261D98.4Very high98.3Very high40 Ų4024.7 Ų24.721%0.21415%0.152CC..THydrogen-bonded Turntrans-70.5144170.7-166.541.3000111.1A36 G37 D38 F40 T41 Q259 G263A36-D261 HydrophobicContact CB-CB 4.03Å; A36-D261 WeakPolarHBondContact O-CB 3.28Å; G37-D261 WeakPolarHBondContact CA-OD2 3.31Å; D38-D261 PolarHBondContact N-OD2 3.35Å; F40-D261 PolarHBondContact N-OD1 3.49Å; F40-D261 VanDerWaalsContact N-OD1 3.15Å; T41-D261 WeakPolarHBondContact CB-OD1 3.25Å; T41-D261 PolarHBondContact N-OD1 2.99Å; T41-D261 PolarHBondContact OG1-OD1 3.49Å; Q259-D261 PolarHBondContact O-N 3.01Å; D261-G263 VanDerWaalsContact C-N 3.3Å
262G97.7Very high98.1Very high59 Ų5932.1 Ų32.161%0.60818%0.181SC*.THydrogen-bonded Turntrans86.3-3-167.600000114T41T41-G262 PolarHBondContact OG1-N 3.46Å
263G97.3Very high98.1Very high15 Ų1532.1 Ų32.116%0.15518%0.181CC..SBendtrans-76.4170.4167.700000112.9T41 L260 D261T41-G263 PolarHBondContact OG1-N 3.47Å; T41-G263 PolarHBondContact OG1-O 3.45Å; L260-G263 PolarHBondContact O-N 2.9Å; D261-G263 VanDerWaalsContact C-N 3.3Å
264P97.6Very high98.1Very high72 Ų7233 Ų3347%0.46819%0.188SC..PPolyproline II helixtrans-65.5156.2178.929.3-35.7000112.2N254 S269N254-P264 PolarHBondContact ND2-O 3.08Å; N254-P264 VanDerWaalsContact ND2-O 3.09Å; P264-S269 WeakPolarHBondContact CG-OG 3.28Å
265A98.5Very high98.1Very high6 Ų639.5 Ų39.55%0.0522%0.218CC..PPolyproline II helixtrans-65.1138.7166.200000109.9E44 A48 F267 D268 S269E44-A265 HydrophobicContact CB-CB 4.12Å; E44-A265 WeakPolarHBondContact O-CB 3.35Å; A48-A265 HydrophobicContact CB-CB 3.39Å; A265-F267 PolarHBondContact O-N 3.02Å; A265-D268 PolarHBondContact O-N 3.08Å; A265-S269 PolarHBondContact O-N 2.97Å; A265-S269 PolarHBondContact O-OG 3.21Å
266S98.9Very high98.1Very high0 Ų038.6 Ų38.60%022%0.216CC..Hα-helixtrans-59.5-36.7-174-168.30000112.3N45 N254 D268 S269 L270 F285 D286N45-S266 PolarHBondContact OD1-N 3.19Å; N254-S266 PolarHBondContact ND2-N 2.79Å; S266-D268 VanDerWaalsContact C-N 3.31Å; S266-D268 PolarHBondContact O-N 3.46Å; S266-S269 WeakPolarHBondContact O-CB 3.34Å; S266-S269 PolarHBondContact O-N 3.41Å; S266-L270 PolarHBondContact O-N 3.44Å; S266-F285 WeakPolarHBondContact OG-CE2 3.26Å; S266-D286 WeakPolarHBondContact CB-O 3.48Å; S266-D286 PolarHBondContact OG-O 3.2Å
267F98.8Very high98.1Very high0 Ų038.2 Ų38.20%021%0.212CC..Hα-helixtrans-67.7-29.4180-177.6-108.4000113.3A48 F49 K52 A265 L270 Q271 F285 K297 S301 L355A48-F267 HydrophobicContact CB-CB 4.25Å; A48-F267 HydrophobicContact CB-CD1 4.5Å; A48-F267 WeakPolarHBondContact O-CD1 3.28Å; F49-F267 HydrophobicContact CD1-CB 4.4Å; F49-F267 HydrophobicContact CD1-CD1 4.1Å; F49-F267 AromaticContact CD1-CD2 3.77Å; F49-F267 HydrophobicContact CD1-CD2 3.77Å; F49-F267 HydrophobicContact CD1-CE1 4.36Å; F49-F267 HydrophobicContact CD1-CE2 4.08Å; F49-F267 AromaticContact CD1-CG 3.79Å; F49-F267 HydrophobicContact CD1-CG 3.79Å; F49-F267 HydrophobicContact CD1-CZ 4.37Å; F49-F267 HydrophobicContact CE1-CB 4.13Å; F49-F267 AromaticContact CE1-CD2 3.47Å; F49-F267 HydrophobicContact CE1-CD2 3.47Å; F49-F267 VanDerWaalsContact CE1-CD2 3.47Å; F49-F267 HydrophobicContact CE1-CE2 4.03Å; F49-F267 AromaticContact CE1-CG 3.76Å; F49-F267 HydrophobicContact CE1-CG 3.76Å; F49-F267 HydrophobicContact CG-CG 4.41Å; F49-F267 HydrophobicContact CZ-CB 4.2Å; F49-F267 HydrophobicContact CZ-CD2 4.27Å; F49-F267 HydrophobicContact CZ-CG 4.34Å; K52-F267 HydrophobicContact CB-CE1 4.01Å; K52-F267 HydrophobicContact CB-CZ 4.21Å; K52-F267 HydrophobicContact CG-CE1 3.77Å; K52-F267 HydrophobicContact CG-CZ 4.12Å; A265-F267 PolarHBondContact O-N 3.02Å; F267-L270 HydrophobicContact CD2-CD2 4.22Å; F267-L270 HydrophobicContact CE2-CD2 4.35Å; F267-Q271 PolarHBondContact O-NE2 3.3Å; F267-F285 HydrophobicContact CB-CE2 4.29Å; F267-F285 HydrophobicContact CB-CZ 3.9Å; F267-F285 HydrophobicContact CD2-CE1 4.49Å; F267-F285 HydrophobicContact CD2-CZ 4.1Å; F267-K297 HydrophobicContact CE2-CB 3.89Å; F267-K297 HydrophobicContact CZ-CB 3.75Å; F267-S301 WeakPolarHBondContact CZ-OG 3.41Å; F267-L355 HydrophobicContact CZ-CD1 4.31Å
268D98.1Very high98Very high39 Ų3941.7 Ų41.721%0.20924%0.241CC..Hα-helixtrans-73.2-42.4173.5-66.2-31.4000110.2H51 A265 S266 L270 Q271 Y272H51-D268 IonicContact CE1-OD1 3.45Å; H51-D268 IonicContact CE1-OD2 3.13Å; H51-D268 PolarHBondContact CE1-OD2 2.88Å; H51-D268 IonicContact CG-OD1 3.75Å; H51-D268 VanDerWaalsContact ND1-CG 3.31Å; H51-D268 IonicContact ND1-OD1 3.89Å; H51-D268 PolarHBondContact ND1-OD1 2.66Å; H51-D268 IonicContact ND1-OD2 2.63Å; H51-D268 PolarHBondContact ND1-OD2 3.37Å; H51-D268 VanDerWaalsContact ND1-OD2 3.08Å; A265-D268 PolarHBondContact O-N 3.08Å; S266-D268 VanDerWaalsContact C-N 3.31Å; S266-D268 PolarHBondContact O-N 3.46Å; D268-L270 VanDerWaalsContact C-N 3.28Å; D268-L270 PolarHBondContact O-N 2.77Å; D268-Q271 PolarHBondContact O-N 2.78Å; D268-Y272 WeakPolarHBondContact O-CD2 3.47Å
269S98.6Very high98Very high5 Ų544.3 Ų44.34%0.03527%0.274CS..Hα-helixtrans-61-34.3174.7-53.30000113Q234 P264 A265 S266 Q271 Y272 V273Q234-S269 PolarHBondContact OE1-OG 3.03Å; P264-S269 WeakPolarHBondContact CG-OG 3.28Å; A265-S269 PolarHBondContact O-N 2.97Å; A265-S269 PolarHBondContact O-OG 3.21Å; S266-S269 WeakPolarHBondContact O-CB 3.34Å; S266-S269 PolarHBondContact O-N 3.41Å; S269-Q271 PolarHBondContact O-N 3.36Å; S269-Y272 PolarHBondContact O-N 2.87Å; S269-V273 WeakPolarHBondContact O-CB 3.23Å; S269-V273 WeakPolarHBondContact O-CG2 3.49Å; S269-V273 PolarHBondContact O-N 3.24Å
270L98.8Very high98Very high0 Ų049.5 Ų49.50%029%0.293CS..Hα-helixtrans-53.8-40.2-178.8175.161.5000112.7V252 S266 F267 D268 V273 A274 I283 F285 A298 A303V252-L270 HydrophobicContact CB-CD1 4.32Å; V252-L270 HydrophobicContact CG1-CB 4.23Å; V252-L270 HydrophobicContact CG2-CD1 4Å; S266-L270 PolarHBondContact O-N 3.44Å; F267-L270 HydrophobicContact CD2-CD2 4.22Å; F267-L270 HydrophobicContact CE2-CD2 4.35Å; D268-L270 VanDerWaalsContact C-N 3.28Å; D268-L270 PolarHBondContact O-N 2.77Å; L270-V273 PolarHBondContact O-N 2.95Å; L270-A274 WeakPolarHBondContact O-CB 3.49Å; L270-A274 PolarHBondContact O-N 3.47Å; L270-I283 HydrophobicContact CD1-CG2 3.84Å; L270-F285 HydrophobicContact CB-CD2 3.97Å; L270-F285 HydrophobicContact CB-CE2 4.17Å; L270-F285 HydrophobicContact CD1-CB 4.18Å; L270-F285 HydrophobicContact CD1-CD2 4.16Å; L270-F285 HydrophobicContact CD1-CG 4.42Å; L270-F285 HydrophobicContact CD2-CB 4.21Å; L270-F285 HydrophobicContact CD2-CD1 4.35Å; L270-F285 HydrophobicContact CD2-CD2 3.75Å; L270-F285 HydrophobicContact CD2-CE2 4.22Å; L270-F285 HydrophobicContact CD2-CG 3.82Å; L270-F285 HydrophobicContact CG-CD2 4.17Å; L270-A298 HydrophobicContact CD2-CB 4.06Å; L270-A303 HydrophobicContact CD1-CB 4.33Å; L270-A303 HydrophobicContact CD2-CB 4.28Å
271Q94.2Very high98Very high43 Ų4343.3 Ų43.320%0.20126%0.262CS..Hα-helixtrans-67.3-46-175.6-63.1155.64500111.1F267 D268 S269 A274 E275F267-Q271 PolarHBondContact O-NE2 3.3Å; D268-Q271 PolarHBondContact O-N 2.78Å; S269-Q271 PolarHBondContact O-N 3.36Å; Q271-A274 PolarHBondContact O-N 2.86Å; Q271-E275 PolarHBondContact O-N 3.4Å
272Y96.2Very high98Very high157 Ų15742.9 Ų42.962%0.61626%0.261SS*.Hα-helixtrans-65.7-41.6175.9-62.5-76.9000111.8D268 S269 E275 A276D268-Y272 WeakPolarHBondContact O-CD2 3.47Å; S269-Y272 PolarHBondContact O-N 2.87Å; Y272-E275 PolarHBondContact O-N 2.67Å; Y272-A276 WeakPolarHBondContact O-CB 3Å; Y272-A276 PolarHBondContact O-N 2.97Å
273V98.7Very high98.1Very high0 Ų040.3 Ų40.30%023%0.234CC..Hα-helixtrans-66.1-41.1177.6168.70000111.2V233 V239 I250 V252 S269 L270 A276 V277V233-V273 HydrophobicContact CG1-CG1 4.22Å; V233-V273 HydrophobicContact CG1-CG2 4.07Å; V239-V273 HydrophobicContact CG2-CB 4.32Å; V239-V273 HydrophobicContact CG2-CG1 3.61Å; V239-V273 HydrophobicContact CG2-CG2 4.34Å; I250-V273 HydrophobicContact CG2-CG1 3.79Å; V252-V273 HydrophobicContact CG2-CB 3.87Å; V252-V273 HydrophobicContact CG2-CG1 3.4Å; V252-V273 HydrophobicContact CG2-CG2 4.3Å; S269-V273 WeakPolarHBondContact O-CB 3.23Å; S269-V273 WeakPolarHBondContact O-CG2 3.49Å; S269-V273 PolarHBondContact O-N 3.24Å; L270-V273 PolarHBondContact O-N 2.95Å; V273-A276 PolarHBondContact O-N 3.05Å; V273-V277 HydrophobicContact CG1-CG2 4.18Å; V273-V277 WeakPolarHBondContact O-CB 3.22Å; V273-V277 VanDerWaalsContact O-CG2 3.26Å; V273-V277 WeakPolarHBondContact O-CG2 3.35Å; V273-V277 PolarHBondContact O-N 3.37Å
274A98.6Very high98.1Very high19 Ų1939.6 Ų39.616%0.15723%0.226CC..Hα-helixtrans-65-41.217800000112.2L270 Q271 V277 A278 I283 S301L270-A274 WeakPolarHBondContact O-CB 3.49Å; L270-A274 PolarHBondContact O-N 3.47Å; Q271-A274 PolarHBondContact O-N 2.86Å; A274-V277 PolarHBondContact O-N 2.75Å; A274-A278 PolarHBondContact O-N 2.8Å; A274-I283 HydrophobicContact CB-CD1 3.88Å; A274-S301 WeakPolarHBondContact CB-O 3.1Å
275E98.1Very high98.2Very high153 Ų15336.2 Ų36.272%0.71520%0.204SC*.Hα-helixtrans-60.2-48.1172.6-176.6171.3-166.500111.1Q271 Y272 A278Q271-E275 PolarHBondContact O-N 3.4Å; Y272-E275 PolarHBondContact O-N 2.67Å; E275-A278 WeakPolarHBondContact O-CB 3.28Å; E275-A278 PolarHBondContact O-N 3.01Å
276A98.5Very high98.2Very high12 Ų1236.3 Ų36.310%0.09920%0.204CC..Hα-helixtrans-58.9-49.5176.400000111.7E236 V239 Y272 V273 A278 R280E236-A276 HydrophobicContact CB-CB 3.91Å; E236-A276 HydrophobicContact CG-CB 3.73Å; V239-A276 HydrophobicContact CB-CB 4.18Å; V239-A276 HydrophobicContact CG1-CB 4.2Å; V239-A276 HydrophobicContact CG2-CB 4.17Å; Y272-A276 WeakPolarHBondContact O-CB 3Å; Y272-A276 PolarHBondContact O-N 2.97Å; V273-A276 PolarHBondContact O-N 3.05Å; A276-A278 PolarHBondContact O-N 3.27Å; A276-R280 PolarHBondContact O-NH2 2.97Å
277V98.7Very high98.2Very high1 Ų136.8 Ų36.81%0.00621%0.207CC..Hα-helixtrans-57.9-36.6179.2169.50000111.4V239 I250 V273 A274 G279 R280 A281 I283V239-V277 HydrophobicContact CB-CG2 4.48Å; V239-V277 HydrophobicContact CG1-CB 4.39Å; V239-V277 HydrophobicContact CG1-CG2 3.57Å; V239-V277 HydrophobicContact CG2-CG2 4Å; I250-V277 HydrophobicContact CB-CG2 4.23Å; I250-V277 HydrophobicContact CG1-CG2 3.79Å; V273-V277 HydrophobicContact CG1-CG2 4.18Å; V273-V277 WeakPolarHBondContact O-CB 3.22Å; V273-V277 VanDerWaalsContact O-CG2 3.26Å; V273-V277 WeakPolarHBondContact O-CG2 3.35Å; V273-V277 PolarHBondContact O-N 3.37Å; A274-V277 PolarHBondContact O-N 2.75Å; V277-G279 PolarHBondContact O-N 2.85Å; V277-G279 VanDerWaalsContact O-N 3.16Å; V277-R280 VanDerWaalsContact O-CB 3.26Å; V277-R280 WeakPolarHBondContact O-CB 3.32Å; V277-R280 VanDerWaalsContact O-CG 3.28Å; V277-R280 WeakPolarHBondContact O-CG 3.46Å; V277-R280 PolarHBondContact O-N 2.84Å; V277-R280 PolarHBondContact O-NE 3.07Å; V277-A281 HydrophobicContact CG1-CB 4.46Å; V277-A281 WeakPolarHBondContact CG1-O 3.47Å; V277-I283 HydrophobicContact CB-CD1 3.87Å; V277-I283 HydrophobicContact CB-CG1 4.4Å; V277-I283 HydrophobicContact CG1-CD1 4.03Å; V277-I283 HydrophobicContact CG1-CG1 4.15Å; V277-I283 HydrophobicContact CG2-CD1 3.88Å; V277-I283 HydrophobicContact CG2-CG1 4.16Å
278A97.9Very high98.2Very high75 Ų7537.1 Ų37.162%0.6221%0.211SC*.THydrogen-bonded Turntrans51.738.3174.900000113.4A274 E275 A276 R280A274-A278 PolarHBondContact O-N 2.8Å; E275-A278 WeakPolarHBondContact O-CB 3.28Å; E275-A278 PolarHBondContact O-N 3.01Å; A276-A278 PolarHBondContact O-N 3.27Å; A278-R280 PolarHBondContact O-N 3.36Å
279G97.4Very high98.2Very high75 Ų7535.5 Ų35.577%0.77320%0.202SC*.THydrogen-bonded Turntrans70.39.2-179.500000115.7V277 A281V277-G279 PolarHBondContact O-N 2.85Å; V277-G279 VanDerWaalsContact O-N 3.16Å; G279-A281 VanDerWaalsContact C-N 3.27Å; G279-A281 PolarHBondContact O-N 2.9Å
280R98.2Very high98.2Very high126 Ų12635.7 Ų35.748%0.47520%0.202SC..SBendtrans-69.1-24.1178.7-68177.1-71.3166-2.4113.6E240 L243 A276 V277 A278E240-R280 IonicContact OE1-CZ 2.61Å; E240-R280 IonicContact OE1-NH1 2.8Å; E240-R280 PolarHBondContact OE1-NH1 3.34Å; E240-R280 IonicContact OE1-NH2 3.08Å; E240-R280 PolarHBondContact OE1-NH2 3.33Å; E240-R280 IonicContact OE2-CZ 3.24Å; E240-R280 IonicContact OE2-NH1 3.73Å; E240-R280 PolarHBondContact OE2-NH1 3.06Å; E240-R280 IonicContact OE2-NH2 3.18Å; L243-R280 HydrophobicContact CD1-CB 4.12Å; A276-R280 PolarHBondContact O-NH2 2.97Å; V277-R280 VanDerWaalsContact O-CB 3.26Å; V277-R280 WeakPolarHBondContact O-CB 3.32Å; V277-R280 VanDerWaalsContact O-CG 3.28Å; V277-R280 WeakPolarHBondContact O-CG 3.46Å; V277-R280 PolarHBondContact O-N 2.84Å; V277-R280 PolarHBondContact O-NE 3.07Å; A278-R280 PolarHBondContact O-N 3.36Å
281A98.5Very high98.2Very high13 Ų1339.1 Ų39.111%0.10722%0.215CC..SBendtrans-153.8154.3-177.900000110.4L243 V277 G279L243-A281 HydrophobicContact CD1-CB 4.48Å; L243-A281 HydrophobicContact CD2-CB 3.65Å; V277-A281 HydrophobicContact CG1-CB 4.46Å; V277-A281 WeakPolarHBondContact CG1-O 3.47Å; G279-A281 VanDerWaalsContact C-N 3.27Å; G279-A281 PolarHBondContact O-N 2.9Å
282P98.7Very high98.4Very high30 Ų3037 Ų3720%0.19521%0.205CC..  trans-64.6149.7173.426.2-36000112.7F71 Y229 S248 G249 I250 D304F71-P282 HydrophobicContact CE2-CB 3.75Å; F71-P282 HydrophobicContact CZ-CB 3.64Å; F71-P282 HydrophobicContact CZ-CG 4.08Å; Y229-P282 HydrophobicContact CE1-CG 4.04Å; Y229-P282 WeakPolarHBondContact OH-CG 3.43Å; S248-P282 VanDerWaalsContact O-CD 3.31Å; S248-P282 WeakPolarHBondContact O-CD 3.45Å; G249-P282 WeakPolarHBondContact CA-O 3.36Å; I250-P282 PolarHBondContact N-O 3.49Å; P282-D304 VanDerWaalsContact CA-OD2 3.22Å; P282-D304 WeakPolarHBondContact CA-OD2 3.37Å
283I98.9Very high98.5Very high6 Ų631.9 Ų31.93%0.03119%0.187CC..EExtended strand (participates in β ladder)trans-115.9123.7179.2-61.4176.2000110.9I250 V252 L270 A274 V277 D304 L305I250-I283 CarbonylContact O-C 3.39Å; I250-I283 WeakPolarHBondContact O-CA 3.42Å; V252-I283 HydrophobicContact CG2-CG2 3.94Å; L270-I283 HydrophobicContact CD1-CG2 3.84Å; A274-I283 HydrophobicContact CB-CD1 3.88Å; V277-I283 HydrophobicContact CB-CD1 3.87Å; V277-I283 HydrophobicContact CB-CG1 4.4Å; V277-I283 HydrophobicContact CG1-CD1 4.03Å; V277-I283 HydrophobicContact CG1-CG1 4.15Å; V277-I283 HydrophobicContact CG2-CD1 3.88Å; V277-I283 HydrophobicContact CG2-CG1 4.16Å; I283-D304 PolarHBondContact N-OD2 3.1Å; I283-D304 PolarHBondContact O-N 2.67Å; I283-L305 PolarHBondContact O-N 3.38Å
284V99Very high98.5Very high0 Ų032.5 Ų32.50%019%0.19CC..EExtended strand (participates in β ladder)trans-98136.8164.1-174.20000108.9I81 W134 Y229 I250 W251 V252 L305 A307I81-V284 HydrophobicContact CD1-CG1 3.94Å; W134-V284 HydrophobicContact CH2-CG2 4.09Å; W134-V284 HydrophobicContact CZ3-CG2 4Å; Y229-V284 HydrophobicContact CD1-CG2 4.02Å; Y229-V284 HydrophobicContact CE1-CG2 3.87Å; I250-V284 PolarHBondContact O-N 3.16Å; W251-V284 CarbonylContact C-O 3.59Å; W251-V284 VanDerWaalsContact CA-O 3.26Å; W251-V284 WeakPolarHBondContact CA-O 3.39Å; W251-V284 HydrophobicContact CB-CB 4.1Å; W251-V284 HydrophobicContact CD2-CB 3.75Å; W251-V284 HydrophobicContact CD2-CG1 3.56Å; W251-V284 HydrophobicContact CD2-CG2 4.5Å; W251-V284 VanDerWaalsContact CE2-CG1 3.48Å; W251-V284 HydrophobicContact CE3-CB 4.07Å; W251-V284 HydrophobicContact CE3-CG1 3.96Å; W251-V284 HydrophobicContact CE3-CG2 4.33Å; W251-V284 HydrophobicContact CG-CB 3.77Å; W251-V284 HydrophobicContact CG-CG1 3.95Å; W251-V284 HydrophobicContact CH2-CG1 4.13Å; W251-V284 HydrophobicContact CZ2-CG1 3.81Å; W251-V284 HydrophobicContact CZ3-CG1 4.21Å; V252-V284 PolarHBondContact N-O 3.41Å; V284-L305 CarbonylContact C-O 3.53Å; V284-L305 WeakPolarHBondContact CA-O 3.29Å; V284-L305 HydrophobicContact CG1-CB 4.44Å; V284-L305 HydrophobicContact CG2-CB 4.28Å; V284-L305 HydrophobicContact CG2-CD1 4.49Å; V284-A307 HydrophobicContact CG1-CB 4.14Å
285F99Very high98.6Very high0 Ų031.6 Ų31.60%018%0.182CC..EExtended strand (participates in β ladder)trans-122.3138.7178.5168-100.4000111.6F49 V252 S266 F267 L270 V289 A298 A303 L305 V306 A307F49-F285 HydrophobicContact CE1-CE1 4.04Å; F49-F285 HydrophobicContact CE1-CZ 4.26Å; F49-F285 AromaticContact CZ-CE1 3.7Å; F49-F285 HydrophobicContact CZ-CE1 3.7Å; F49-F285 AromaticContact CZ-CZ 3.8Å; F49-F285 HydrophobicContact CZ-CZ 3.8Å; V252-F285 HydrophobicContact CB-CD2 4.16Å; V252-F285 HydrophobicContact CG1-CD2 4.06Å; S266-F285 WeakPolarHBondContact OG-CE2 3.26Å; F267-F285 HydrophobicContact CB-CE2 4.29Å; F267-F285 HydrophobicContact CB-CZ 3.9Å; F267-F285 HydrophobicContact CD2-CE1 4.49Å; F267-F285 HydrophobicContact CD2-CZ 4.1Å; L270-F285 HydrophobicContact CB-CD2 3.97Å; L270-F285 HydrophobicContact CB-CE2 4.17Å; L270-F285 HydrophobicContact CD1-CB 4.18Å; L270-F285 HydrophobicContact CD1-CD2 4.16Å; L270-F285 HydrophobicContact CD1-CG 4.42Å; L270-F285 HydrophobicContact CD2-CB 4.21Å; L270-F285 HydrophobicContact CD2-CD1 4.35Å; L270-F285 HydrophobicContact CD2-CD2 3.75Å; L270-F285 HydrophobicContact CD2-CE2 4.22Å; L270-F285 HydrophobicContact CD2-CG 3.82Å; L270-F285 HydrophobicContact CG-CD2 4.17Å; F285-V289 HydrophobicContact CD1-CG2 4.22Å; F285-V289 HydrophobicContact CE1-CG2 3.66Å; F285-A298 HydrophobicContact CD1-CB 3.36Å; F285-A298 HydrophobicContact CE1-CB 3.74Å; F285-A298 HydrophobicContact CG-CB 4.13Å; F285-A303 HydrophobicContact CB-CB 3.73Å; F285-L305 PolarHBondContact N-O 3.33Å; F285-V306 HydrophobicContact CD1-CG1 4.17Å; F285-V306 HydrophobicContact CD1-CG2 4.49Å; F285-V306 CarbonylContact O-C 3.47Å; F285-V306 WeakPolarHBondContact O-CA 3.28Å; F285-A307 PolarHBondContact O-N 3.08Å
286D99Very high98.6Very high9 Ų924.3 Ų24.35%0.04815%0.148CC..  trans-143.4-174.7168.678.531.6000113.4K231 W251 V252 S253 S266 A307K231-D286 VanDerWaalsContact CE-OD2 3.31Å; K231-D286 WeakPolarHBondContact CE-OD2 3.41Å; K231-D286 IonicContact NZ-OD2 2.81Å; W251-D286 PolarHBondContact NE1-OD2 3.01Å; V252-D286 PolarHBondContact O-N 3.19Å; S253-D286 WeakPolarHBondContact CA-OD1 3.46Å; S253-D286 WeakPolarHBondContact CB-OD1 3.28Å; S253-D286 VanDerWaalsContact OG-CG 3.25Å; S253-D286 PolarHBondContact OG-OD1 2.87Å; S253-D286 PolarHBondContact OG-OD2 3.12Å; S266-D286 WeakPolarHBondContact CB-O 3.48Å; S266-D286 PolarHBondContact OG-O 3.2Å; D286-A307 HydrophobicContact CB-CB 4.02Å
287S98.9Very high98.6Very high10 Ų1024.3 Ų24.37%0.0715%0.146CC..SBendtrans83.6109177.4-55.30000113.9N254 G256N254-S287 VanDerWaalsContact OD1-CB 3.29Å; N254-S287 WeakPolarHBondContact OD1-CB 3.25Å; N254-S287 PolarHBondContact OD1-OG 3.46Å; G256-S287 WeakPolarHBondContact CA-OG 3.45Å; G256-S287 PolarHBondContact N-OG 3.46Å
288G98.4Very high98.6Very high7 Ų724.2 Ų24.27%0.07215%0.146CC..SBendtrans94.6-5.6178.200000115.8F49 R290 H294F49-G288 WeakPolarHBondContact CE2-O 3.47Å; G288-R290 PolarHBondContact O-N 2.82Å; G288-H294 PolarHBondContact O-ND1 3.42Å
289V98.8Very high98.7Very high4 Ų420.7 Ų20.72%0.02412%0.116CC..  trans-67.1123.9-179.7-175.70000110.4F49 F285 H294 V295 V306 I308 F331F49-V289 HydrophobicContact CZ-CG2 3.93Å; F285-V289 HydrophobicContact CD1-CG2 4.22Å; F285-V289 HydrophobicContact CE1-CG2 3.66Å; V289-H294 HydrophobicContact CG1-CB 4.11Å; V289-V295 HydrophobicContact CG1-CG2 3.82Å; V289-V306 HydrophobicContact CB-CG1 4.28Å; V289-V306 HydrophobicContact CG1-CG1 3.92Å; V289-V306 HydrophobicContact CG2-CG1 3.59Å; V289-I308 HydrophobicContact CB-CD1 4.13Å; V289-I308 HydrophobicContact CG1-CD1 3.53Å; V289-F331 HydrophobicContact CG1-CE1 3.8Å; V289-F331 HydrophobicContact CG1-CZ 4.33Å
290R98.4Very high98.7Very high10 Ų1017.9 Ų17.94%0.0389%0.086CC..  trans-139.8-19-177.6-69.3-62.6-177.4-73.4-9.8113.8M13 G288 H294M13-R290 HydrophobicContact CB-CB 4.46Å; M13-R290 WeakPolarHBondContact CG-O 3.27Å; G288-R290 PolarHBondContact O-N 2.82Å; R290-H294 PolarHBondContact N-ND1 2.9Å
291R98.5Very high98.8Very high71 Ų7112.7 Ų12.727%0.2687%0.069SC..SBendtrans-136158.2-172.9-52.8-63-63.1-93.55.9112.2Q293 H294 V295 E334R291-Q293 HydrophobicContact CB-CG 4.17Å; R291-Q293 VanDerWaalsContact CB-NE2 3.32Å; R291-Q293 PolarHBondContact O-N 2.88Å; R291-H294 WeakPolarHBondContact O-CB 3.41Å; R291-H294 PolarHBondContact O-N 3.46Å; R291-V295 PolarHBondContact O-N 3.38Å; R291-E334 WeakPolarHBondContact CA-OE2 3.31Å; R291-E334 WeakPolarHBondContact CB-OE2 3.12Å; R291-E334 IonicContact CZ-OE1 3.72Å; R291-E334 VanDerWaalsContact CZ-OE1 3.29Å; R291-E334 IonicContact NE-OE1 3.61Å; R291-E334 PolarHBondContact NE-OE1 2.84Å; R291-E334 IonicContact NE-OE2 2.82Å; R291-E334 PolarHBondContact NE-OE2 2.91Å; R291-E334 VanDerWaalsContact NE-OE2 3.11Å; R291-E334 IonicContact NH2-OE1 3.42Å; R291-E334 PolarHBondContact NH2-OE1 3.45Å
292G98.6Very high98.8Very high0 Ų013.7 Ų13.70%08%0.08CC..Hα-helixtrans-56.8-35.8173.800000112.9H294 V295 F296 E334G292-H294 VanDerWaalsContact C-N 3.26Å; G292-H294 PolarHBondContact O-N 2.98Å; G292-V295 PolarHBondContact O-N 2.89Å; G292-F296 PolarHBondContact O-N 3.24Å; G292-E334 PolarHBondContact N-OE2 2.94Å
293Q98.6Very high98.8Very high49 Ų4912.2 Ų12.223%0.2297%0.071CC..Hα-helixtrans-67.6-24.4174.867.4-87.316.400113.4I54 R291 K297 V338I54-Q293 HydrophobicContact CD1-CB 3.71Å; R291-Q293 HydrophobicContact CB-CG 4.17Å; R291-Q293 VanDerWaalsContact CB-NE2 3.32Å; R291-Q293 PolarHBondContact O-N 2.88Å; Q293-K297 WeakPolarHBondContact O-CB 3.18Å; Q293-K297 WeakPolarHBondContact O-CD 3.33Å; Q293-K297 WeakPolarHBondContact O-CG 3.24Å; Q293-K297 PolarHBondContact O-N 2.83Å; Q293-V338 HydrophobicContact CB-CG2 4.08Å
294H98.8Very high98.8Very high12 Ų1213.9 Ų13.96%0.0568%0.08CC..Hα-helixtrans-72.6-42.2175.3-59.6179000109.6F49 G288 V289 R290 R291 G292 K297 A298F49-H294 HydrophobicContact CD1-CB 3.7Å; F49-H294 AromaticContact CD1-CD2 4Å; F49-H294 AromaticContact CD1-CG 3.86Å; F49-H294 HydrophobicContact CD2-CB 4.16Å; F49-H294 AromaticContact CD2-CD2 3.95Å; F49-H294 AromaticContact CD2-CE1 3.93Å; F49-H294 AromaticContact CD2-CG 3.66Å; F49-H294 AromaticContact CD2-ND1 3.6Å; F49-H294 HydrophobicContact CE1-CB 3.56Å; F49-H294 WeakPolarHBondContact CE1-O 3.48Å; F49-H294 HydrophobicContact CE2-CB 4.05Å; F49-H294 AromaticContact CE2-CG 3.95Å; F49-H294 AromaticContact CE2-ND1 3.83Å; F49-H294 HydrophobicContact CG-CB 4Å; F49-H294 AromaticContact CG-CD2 3.58Å; F49-H294 AromaticContact CG-CG 3.61Å; F49-H294 HydrophobicContact CZ-CB 3.75Å; G288-H294 PolarHBondContact O-ND1 3.42Å; V289-H294 HydrophobicContact CG1-CB 4.11Å; R290-H294 PolarHBondContact N-ND1 2.9Å; R291-H294 WeakPolarHBondContact O-CB 3.41Å; R291-H294 PolarHBondContact O-N 3.46Å; G292-H294 VanDerWaalsContact C-N 3.26Å; G292-H294 PolarHBondContact O-N 2.98Å; H294-K297 PolarHBondContact O-N 2.9Å; H294-A298 WeakPolarHBondContact O-CB 3.48Å; H294-A298 PolarHBondContact O-N 2.99Å
295V98.9Very high98.8Very high0 Ų013.9 Ų13.90%08%0.08CC..Hα-helixtrans-59.7-50.7173.7-179.70000110.2I80 V289 R291 G292 K297 A298 L299 V306 F331 L335I80-V295 HydrophobicContact CG2-CB 4.48Å; I80-V295 HydrophobicContact CG2-CG1 3.71Å; I80-V295 HydrophobicContact CG2-CG2 3.87Å; V289-V295 HydrophobicContact CG1-CG2 3.82Å; R291-V295 PolarHBondContact O-N 3.38Å; G292-V295 PolarHBondContact O-N 2.89Å; V295-K297 PolarHBondContact O-N 3.21Å; V295-A298 PolarHBondContact O-N 3.06Å; V295-L299 HydrophobicContact CG1-CD1 4.01Å; V295-L299 WeakPolarHBondContact O-CG 3.39Å; V295-L299 PolarHBondContact O-N 3.38Å; V295-V306 HydrophobicContact CG1-CB 4.27Å; V295-V306 HydrophobicContact CG1-CG2 4.1Å; V295-V306 HydrophobicContact CG2-CG1 4.27Å; V295-F331 HydrophobicContact CG2-CD1 3.98Å; V295-F331 HydrophobicContact CG2-CE1 4.47Å; V295-L335 HydrophobicContact CB-CD1 4.34Å; V295-L335 HydrophobicContact CG1-CD1 4.2Å; V295-L335 HydrophobicContact CG1-CD2 3.93Å
296F98.9Very high98.8Very high0 Ų013.9 Ų13.90%08%0.08CC..Hα-helixtrans-55.1-48.9176.9-174.6-75.8000112.1I54 G292 A298 L299 A300 L335 V338 M339 A342 T344 I350 I353 L355I54-F296 HydrophobicContact CD1-CB 3.99Å; I54-F296 HydrophobicContact CD1-CD1 3.45Å; I54-F296 VanDerWaalsContact CD1-CD1 3.45Å; I54-F296 HydrophobicContact CD1-CE1 4.09Å; I54-F296 HydrophobicContact CD1-CG 3.83Å; I54-F296 HydrophobicContact CG1-CD1 3.72Å; I54-F296 HydrophobicContact CG1-CE1 3.99Å; I54-F296 HydrophobicContact CG2-CD1 4.33Å; I54-F296 HydrophobicContact CG2-CE1 3.88Å; I54-F296 HydrophobicContact CG2-CZ 4.21Å; G292-F296 PolarHBondContact O-N 3.24Å; F296-A298 PolarHBondContact O-N 3.38Å; F296-L299 PolarHBondContact O-N 2.92Å; F296-A300 HydrophobicContact CD1-CB 4.47Å; F296-A300 HydrophobicContact CE1-CB 4.38Å; F296-A300 WeakPolarHBondContact O-CB 3.43Å; F296-A300 PolarHBondContact O-N 3.03Å; F296-L335 HydrophobicContact CB-CD1 3.98Å; F296-L335 HydrophobicContact CD2-CD1 4.45Å; F296-V338 HydrophobicContact CB-CG1 3.81Å; F296-V338 HydrophobicContact CD1-CG1 4.48Å; F296-V338 HydrophobicContact CD2-CG1 3.63Å; F296-V338 HydrophobicContact CE2-CG1 4.29Å; F296-V338 HydrophobicContact CG-CG1 3.73Å; F296-M339 HydrophobicContact CD2-CG 4.39Å; F296-A342 HydrophobicContact CE1-CB 4.45Å; F296-A342 HydrophobicContact CE2-CB 3.62Å; F296-A342 HydrophobicContact CZ-CB 3.51Å; F296-T344 HydrophobicContact CE2-CG2 3.97Å; F296-T344 HydrophobicContact CZ-CG2 4.03Å; F296-I350 HydrophobicContact CB-CG2 4.45Å; F296-I350 HydrophobicContact CD1-CG2 3.96Å; F296-I350 HydrophobicContact CD2-CB 4.35Å; F296-I350 HydrophobicContact CD2-CD1 3.94Å; F296-I350 HydrophobicContact CD2-CG1 3.9Å; F296-I350 HydrophobicContact CD2-CG2 3.62Å; F296-I350 HydrophobicContact CE1-CG2 4.07Å; F296-I350 HydrophobicContact CE2-CB 4.21Å; F296-I350 HydrophobicContact CE2-CD1 4.33Å; F296-I350 HydrophobicContact CE2-CG1 3.79Å; F296-I350 HydrophobicContact CE2-CG2 3.76Å; F296-I350 HydrophobicContact CG-CG2 3.74Å; F296-I350 HydrophobicContact CZ-CG2 3.99Å; F296-I350 WeakPolarHBondContact O-CG2 3.3Å; F296-I353 HydrophobicContact CE1-CB 4.28Å; F296-I353 HydrophobicContact CE1-CG1 4.4Å; F296-I353 HydrophobicContact CE1-CG2 3.96Å; F296-I353 HydrophobicContact CZ-CB 4.29Å; F296-I353 HydrophobicContact CZ-CG1 3.9Å; F296-I353 HydrophobicContact CZ-CG2 4.23Å; F296-L355 HydrophobicContact CD1-CD2 4.45Å; F296-L355 HydrophobicContact CE1-CD2 4.26Å
297K98.9Very high98.8Very high12 Ų1213.5 Ų13.55%0.0528%0.078CC..Hα-helixtrans-63.7-39.7-179.1-74.7172.7-170.4-171.80112.3F49 K52 I54 F267 Q293 H294 V295 A300 S301 L355F49-K297 HydrophobicContact CB-CD 4.36Å; F49-K297 HydrophobicContact CD1-CB 4.3Å; F49-K297 HydrophobicContact CD1-CD 4.34Å; F49-K297 WeakPolarHBondContact O-CD 3.46Å; F49-K297 PolarHBondContact O-NZ 3.02Å; K52-K297 WeakPolarHBondContact O-CD 3.48Å; K52-K297 WeakPolarHBondContact O-CE 3.14Å; K52-K297 PolarHBondContact O-NZ 2.87Å; I54-K297 HydrophobicContact CD1-CG 4.06Å; I54-K297 HydrophobicContact CG1-CD 4.49Å; I54-K297 HydrophobicContact CG1-CG 3.85Å; F267-K297 HydrophobicContact CE2-CB 3.89Å; F267-K297 HydrophobicContact CZ-CB 3.75Å; Q293-K297 WeakPolarHBondContact O-CB 3.18Å; Q293-K297 WeakPolarHBondContact O-CD 3.33Å; Q293-K297 WeakPolarHBondContact O-CG 3.24Å; Q293-K297 PolarHBondContact O-N 2.83Å; H294-K297 PolarHBondContact O-N 2.9Å; V295-K297 PolarHBondContact O-N 3.21Å; K297-A300 PolarHBondContact O-N 3.03Å; K297-S301 VanDerWaalsContact O-CB 3.27Å; K297-S301 WeakPolarHBondContact O-CB 3.49Å; K297-S301 PolarHBondContact O-N 3.39Å; K297-S301 PolarHBondContact O-OG 3.48Å; K297-L355 HydrophobicContact CB-CD1 3.95Å; K297-L355 HydrophobicContact CG-CD1 3.98Å; K297-L355 HydrophobicContact CG-CD2 4.15Å
298A98.9Very high98.8Very high0 Ų013.1 Ų13.10%08%0.075CC..Hα-helixtrans-62.5-47.1176.300000111.5L270 F285 H294 V295 F296 A300 S301 G302 A303 V306L270-A298 HydrophobicContact CD2-CB 4.06Å; F285-A298 HydrophobicContact CD1-CB 3.36Å; F285-A298 HydrophobicContact CE1-CB 3.74Å; F285-A298 HydrophobicContact CG-CB 4.13Å; H294-A298 WeakPolarHBondContact O-CB 3.48Å; H294-A298 PolarHBondContact O-N 2.99Å; V295-A298 PolarHBondContact O-N 3.06Å; F296-A298 PolarHBondContact O-N 3.38Å; A298-A300 PolarHBondContact O-N 3.42Å; A298-S301 CarbonylContact O-C 3.59Å; A298-S301 WeakPolarHBondContact O-CA 3.47Å; A298-S301 PolarHBondContact O-N 3.29Å; A298-G302 PolarHBondContact O-N 2.8Å; A298-A303 HydrophobicContact CB-CB 4.3Å; A298-A303 WeakPolarHBondContact O-CB 3.47Å; A298-A303 PolarHBondContact O-N 2.78Å; A298-V306 HydrophobicContact CB-CG2 3.68Å
299L98.9Very high98.8Very high0 Ų013.8 Ų13.80%08%0.082CC..Hα-helixtrans-61.1-46.2176.8-63.5167.8000111.7P79 V295 F296 S301 G302 A303 V306 V347 I350P79-L299 HydrophobicContact CB-CD1 4.2Å; P79-L299 HydrophobicContact CB-CD2 4.01Å; P79-L299 HydrophobicContact CG-CD1 3.54Å; P79-L299 HydrophobicContact CG-CD2 4.28Å; V295-L299 HydrophobicContact CG1-CD1 4.01Å; V295-L299 WeakPolarHBondContact O-CG 3.39Å; V295-L299 PolarHBondContact O-N 3.38Å; F296-L299 PolarHBondContact O-N 2.92Å; L299-S301 PolarHBondContact O-N 3.12Å; L299-G302 PolarHBondContact O-N 3.13Å; L299-G302 VanDerWaalsContact O-N 3.12Å; L299-A303 WeakPolarHBondContact CA-O 3.28Å; L299-A303 WeakPolarHBondContact CD2-O 3.28Å; L299-V306 HydrophobicContact CD2-CG2 4.28Å; L299-V306 HydrophobicContact CG-CG2 4.32Å; L299-V347 HydrophobicContact CD1-CG1 4.42Å; L299-I350 HydrophobicContact CB-CB 4.45Å; L299-I350 HydrophobicContact CB-CG2 3.74Å; L299-I350 HydrophobicContact CD1-CD1 3.98Å; L299-I350 HydrophobicContact CD1-CG2 4.33Å
300A98.8Very high98.8Very high17 Ų1714.7 Ų14.714%0.149%0.085CC..Hα-helixtrans-66-14.6175.500000113.6F296 K297 A298 I350 I353 L355F296-A300 HydrophobicContact CD1-CB 4.47Å; F296-A300 HydrophobicContact CE1-CB 4.38Å; F296-A300 WeakPolarHBondContact O-CB 3.43Å; F296-A300 PolarHBondContact O-N 3.03Å; K297-A300 PolarHBondContact O-N 3.03Å; A298-A300 PolarHBondContact O-N 3.42Å; A300-I350 HydrophobicContact CB-CG2 4.27Å; A300-I350 WeakPolarHBondContact CB-O 3.13Å; A300-I353 HydrophobicContact CB-CB 4.25Å; A300-L355 HydrophobicContact CB-CD1 4.14Å; A300-L355 HydrophobicContact CB-CD2 4.01Å; A300-L355 HydrophobicContact CB-CG 3.92Å
301S98.7Very high98.8Very high17 Ų1714.2 Ų14.212%0.1198%0.083CC..THydrogen-bonded Turntrans-101.310.5176.5-53.80000112.9F267 A274 K297 A298 L299 L355F267-S301 WeakPolarHBondContact CZ-OG 3.41Å; A274-S301 WeakPolarHBondContact CB-O 3.1Å; K297-S301 VanDerWaalsContact O-CB 3.27Å; K297-S301 WeakPolarHBondContact O-CB 3.49Å; K297-S301 PolarHBondContact O-N 3.39Å; K297-S301 PolarHBondContact O-OG 3.48Å; A298-S301 CarbonylContact O-C 3.59Å; A298-S301 WeakPolarHBondContact O-CA 3.47Å; A298-S301 PolarHBondContact O-N 3.29Å; L299-S301 PolarHBondContact O-N 3.12Å; S301-L355 WeakPolarHBondContact OG-CD1 3.46Å
302G98.5Very high98.8Very high33 Ų3310.8 Ų10.834%0.347%0.07SC..THydrogen-bonded Turntrans106.93.417200000116A298 L299A298-G302 PolarHBondContact O-N 2.8Å; L299-G302 PolarHBondContact O-N 3.13Å; L299-G302 VanDerWaalsContact O-N 3.12Å
303A98.9Very high98.8Very high0 Ų011 Ų110%07%0.071CC..  trans-73.8146.2170.600000111.7L270 F285 A298 L299 V306L270-A303 HydrophobicContact CD1-CB 4.33Å; L270-A303 HydrophobicContact CD2-CB 4.28Å; F285-A303 HydrophobicContact CB-CB 3.73Å; A298-A303 HydrophobicContact CB-CB 4.3Å; A298-A303 WeakPolarHBondContact O-CB 3.47Å; A298-A303 PolarHBondContact O-N 2.78Å; L299-A303 WeakPolarHBondContact CA-O 3.28Å; L299-A303 WeakPolarHBondContact CD2-O 3.28Å; A303-V306 HydrophobicContact CB-CG2 4.49Å
304D98.8Very high98.8Very high40 Ų408.7 Ų8.721%0.2146%0.06CC..SBendtrans-95.3-35.7168.6-65.6-69.2000112.1F71 P282 I283 K351F71-D304 HydrophobicContact CD2-CB 4.31Å; F71-D304 HydrophobicContact CE2-CB 3.78Å; P282-D304 VanDerWaalsContact CA-OD2 3.22Å; P282-D304 WeakPolarHBondContact CA-OD2 3.37Å; I283-D304 PolarHBondContact N-OD2 3.1Å; I283-D304 PolarHBondContact O-N 2.67Å; D304-K351 IonicContact OD1-NZ 3.77Å; D304-K351 PolarHBondContact OD1-NZ 2.88Å
305L98.9Very high98.8Very high0 Ų08.1 Ų8.10%06%0.058CC..EExtended strand (participates in β ladder)trans-133.7149.1175.8-63.8175.4000110.9F71 L76 P79 I81 I109 W134 I283 V284 F285F71-L305 HydrophobicContact CB-CD1 4.34Å; F71-L305 HydrophobicContact CB-CD2 4.39Å; F71-L305 HydrophobicContact CD1-CD1 3.67Å; F71-L305 HydrophobicContact CD2-CD1 3.56Å; F71-L305 HydrophobicContact CD2-CD2 4.03Å; F71-L305 HydrophobicContact CD2-CG 3.58Å; F71-L305 HydrophobicContact CE1-CD1 3.74Å; F71-L305 HydrophobicContact CE2-CD1 3.62Å; F71-L305 HydrophobicContact CE2-CG 3.71Å; F71-L305 HydrophobicContact CG-CD1 3.56Å; F71-L305 HydrophobicContact CG-CD2 4.27Å; F71-L305 HydrophobicContact CG-CG 4.03Å; F71-L305 HydrophobicContact CZ-CD1 3.68Å; F71-L305 HydrophobicContact CZ-CG 4.26Å; L76-L305 HydrophobicContact CD1-CD2 3.64Å; P79-L305 HydrophobicContact CB-CD2 4.47Å; I81-L305 HydrophobicContact CD1-CD1 4.31Å; I81-L305 HydrophobicContact CG2-CB 4.42Å; I81-L305 HydrophobicContact CG2-CD1 3.89Å; I81-L305 HydrophobicContact CG2-CD2 4.21Å; I81-L305 HydrophobicContact CG2-CG 4.42Å; I109-L305 HydrophobicContact CD1-CD1 4.11Å; W134-L305 HydrophobicContact CH2-CD1 4.28Å; I283-L305 PolarHBondContact O-N 3.38Å; V284-L305 CarbonylContact C-O 3.53Å; V284-L305 WeakPolarHBondContact CA-O 3.29Å; V284-L305 HydrophobicContact CG1-CB 4.44Å; V284-L305 HydrophobicContact CG2-CB 4.28Å; V284-L305 HydrophobicContact CG2-CD1 4.49Å; F285-L305 PolarHBondContact N-O 3.33Å
306V99Very high98.8Very high0 Ų08.1 Ų8.10%06%0.058CC..EExtended strand (participates in β ladder)trans-119.4118.4177.4-178.50000110.1P79 I80 I81 F285 V289 V295 A298 L299 A303 I308P79-V306 PolarHBondContact O-N 3.34Å; I80-V306 CarbonylContact C-O 3.58Å; I80-V306 WeakPolarHBondContact CA-O 3.43Å; I80-V306 HydrophobicContact CG2-CB 4.37Å; I81-V306 PolarHBondContact N-O 3.19Å; F285-V306 HydrophobicContact CD1-CG1 4.17Å; F285-V306 HydrophobicContact CD1-CG2 4.49Å; F285-V306 CarbonylContact O-C 3.47Å; F285-V306 WeakPolarHBondContact O-CA 3.28Å; V289-V306 HydrophobicContact CB-CG1 4.28Å; V289-V306 HydrophobicContact CG1-CG1 3.92Å; V289-V306 HydrophobicContact CG2-CG1 3.59Å; V295-V306 HydrophobicContact CG1-CB 4.27Å; V295-V306 HydrophobicContact CG1-CG2 4.1Å; V295-V306 HydrophobicContact CG2-CG1 4.27Å; A298-V306 HydrophobicContact CB-CG2 3.68Å; L299-V306 HydrophobicContact CD2-CG2 4.28Å; L299-V306 HydrophobicContact CG-CG2 4.32Å; A303-V306 HydrophobicContact CB-CG2 4.49Å; V306-I308 HydrophobicContact CG1-CD1 4.36Å
307A99Very high98.7Very high2 Ų28.1 Ų8.12%0.0176%0.058CC..EExtended strand (participates in β ladder)trans-92.5133.6-176.800000112.4I81 A83 W251 V284 F285 D286I81-A307 HydrophobicContact CD1-CB 4.21Å; I81-A307 HydrophobicContact CG1-CB 3.66Å; I81-A307 CarbonylContact O-C 3.47Å; I81-A307 WeakPolarHBondContact O-CA 3.42Å; A83-A307 HydrophobicContact CB-CB 3.8Å; W251-A307 HydrophobicContact CH2-CB 4.12Å; W251-A307 HydrophobicContact CZ2-CB 3.41Å; W251-A307 VanDerWaalsContact CZ2-CB 3.41Å; V284-A307 HydrophobicContact CG1-CB 4.14Å; F285-A307 PolarHBondContact O-N 3.08Å; D286-A307 HydrophobicContact CB-CB 4.02Å
308I98.9Very high98.7Very high1 Ų19.4 Ų9.41%0.0057%0.065CC..EExtended strand (participates in β ladder)trans-101.6127.8-177.9-46.9-56.6000110.2I80 I81 A83 V289 V306 P311 V312 F328 F331I80-I308 HydrophobicContact CB-CG1 4.41Å; I81-I308 PolarHBondContact O-N 2.94Å; A83-I308 WeakPolarHBondContact CB-O 3.26Å; A83-I308 PolarHBondContact N-O 2.99Å; V289-I308 HydrophobicContact CB-CD1 4.13Å; V289-I308 HydrophobicContact CG1-CD1 3.53Å; V306-I308 HydrophobicContact CG1-CD1 4.36Å; I308-P311 HydrophobicContact CG2-CB 4.1Å; I308-P311 HydrophobicContact CG2-CG 4.14Å; I308-V312 HydrophobicContact CB-CG2 3.98Å; I308-V312 HydrophobicContact CG2-CG2 3.68Å; I308-F328 HydrophobicContact CB-CZ 4.5Å; I308-F328 HydrophobicContact CG1-CE1 4.28Å; I308-F331 HydrophobicContact CD1-CD1 4.34Å; I308-F331 HydrophobicContact CD1-CD2 4.31Å; I308-F331 HydrophobicContact CD1-CE1 4.11Å; I308-F331 HydrophobicContact CD1-CE2 4.12Å; I308-F331 HydrophobicContact CD1-CG 4.43Å; I308-F331 HydrophobicContact CD1-CZ 4.01Å; I308-F331 HydrophobicContact CG1-CD2 4.21Å; I308-F331 HydrophobicContact CG1-CE2 4.19Å; I308-F331 HydrophobicContact CG2-CD2 4.23Å; I308-F331 HydrophobicContact CG2-CE2 3.52Å; I308-F331 HydrophobicContact CG2-CZ 4.01Å
309G98.7Very high98.7Very high21 Ų219.5 Ų9.522%0.2167%0.066CC..  trans-103.3-113.3-175.900000113.8P311 V312G309-P311 VanDerWaalsContact C-N 3.33Å; G309-P311 WeakPolarHBondContact O-CD 3.42Å; G309-P311 VanDerWaalsContact O-N 3.11Å; G309-V312 WeakPolarHBondContact O-CB 3.28Å; G309-V312 PolarHBondContact O-N 3.1Å
310R98.6Very high98.7Very high23 Ų239.5 Ų9.59%0.0877%0.066CC..Hα-helixtrans-42.4-44.3-177.2-67.2-177.3-177.389.8-10.4115.6I32 S34 Y42 G256 R258 V312 I313 Y314I32-R310 WeakPolarHBondContact O-CD 3.46Å; I32-R310 PolarHBondContact O-NE 3.04Å; S34-R310 PolarHBondContact O-NH2 3.38Å; Y42-R310 VanDerWaalsContact CE2-CZ 3.5Å; G256-R310 PolarHBondContact O-NH1 2.77Å; G256-R310 PolarHBondContact O-NH2 2.93Å; R258-R310 VanDerWaalsContact CG-NH2 3.29Å; R310-V312 PolarHBondContact O-N 3.39Å; R310-V312 VanDerWaalsContact O-N 3.16Å; R310-I313 WeakPolarHBondContact O-CB 3.2Å; R310-I313 PolarHBondContact O-N 3.43Å; R310-Y314 HydrophobicContact CB-CE2 3.88Å; R310-Y314 WeakPolarHBondContact O-CD2 3.35Å; R310-Y314 PolarHBondContact O-N 3.16Å
311P98.7Very high98.7Very high0 Ų08.7 Ų8.70%06%0.059CC..Hα-helixtrans-54.7-37.4179.6-28.537.3000114.3M13 I308 G309 I313 Y314 G315 V327 F331M13-P311 HydrophobicContact CG-CB 4.21Å; M13-P311 HydrophobicContact CG-CG 4.34Å; M13-P311 HydrophobicContact SD-CB 3.52Å; M13-P311 VanDerWaalsContact SD-CB 3.52Å; M13-P311 HydrophobicContact SD-CG 4.27Å; I308-P311 HydrophobicContact CG2-CB 4.1Å; I308-P311 HydrophobicContact CG2-CG 4.14Å; G309-P311 VanDerWaalsContact C-N 3.33Å; G309-P311 WeakPolarHBondContact O-CD 3.42Å; G309-P311 VanDerWaalsContact O-N 3.11Å; P311-I313 VanDerWaalsContact C-N 3.34Å; P311-I313 PolarHBondContact O-N 3.49Å; P311-Y314 PolarHBondContact O-N 2.74Å; P311-G315 PolarHBondContact O-N 3.5Å; P311-V327 HydrophobicContact CB-CG1 4.02Å; P311-F331 HydrophobicContact CB-CE2 4.28Å; P311-F331 HydrophobicContact CG-CZ 4.5Å
312V98.7Very high98.7Very high0 Ų09.4 Ų9.40%06%0.063CC..Hα-helixtrans-67.9-36.7178.4179.90000111.2M82 I308 G309 R310 G315 L316 V324 V327 F328M82-V312 HydrophobicContact CE-CB 4.17Å; M82-V312 HydrophobicContact CE-CG1 3.5Å; M82-V312 HydrophobicContact SD-CG1 3.81Å; I308-V312 HydrophobicContact CB-CG2 3.98Å; I308-V312 HydrophobicContact CG2-CG2 3.68Å; G309-V312 WeakPolarHBondContact O-CB 3.28Å; G309-V312 PolarHBondContact O-N 3.1Å; R310-V312 PolarHBondContact O-N 3.39Å; R310-V312 VanDerWaalsContact O-N 3.16Å; V312-G315 PolarHBondContact O-N 2.95Å; V312-L316 VanDerWaalsContact O-CB 3.31Å; V312-L316 WeakPolarHBondContact O-CB 3.33Å; V312-L316 PolarHBondContact O-N 2.84Å; V312-V324 HydrophobicContact CG1-CB 4.28Å; V312-V324 HydrophobicContact CG1-CG1 3.78Å; V312-V324 HydrophobicContact CG1-CG2 3.89Å; V312-V327 HydrophobicContact CG2-CG1 3.96Å; V312-F328 HydrophobicContact CG1-CE2 4.23Å; V312-F328 HydrophobicContact CG2-CD2 4.33Å; V312-F328 HydrophobicContact CG2-CE2 3.6Å; V312-F328 HydrophobicContact CG2-CZ 4.02Å
313I98.6Very high98.7Very high4 Ų47.8 Ų7.82%0.0215%0.046CC..Hα-helixtrans-69.5-35.6177.2-58.4-57.9000111.4I32 M82 I85 A91 R310 P311 L316 A317I32-I313 HydrophobicContact CD1-CG2 3.74Å; I32-I313 HydrophobicContact CG1-CG2 4.24Å; I32-I313 HydrophobicContact CG2-CB 4.38Å; I32-I313 HydrophobicContact CG2-CG2 3.93Å; M82-I313 HydrophobicContact CE-CD1 4.23Å; I85-I313 HydrophobicContact CB-CD1 4.33Å; I85-I313 HydrophobicContact CD1-CD1 3.84Å; I85-I313 HydrophobicContact CD1-CG1 3.6Å; I85-I313 HydrophobicContact CG2-CD1 3.99Å; I85-I313 HydrophobicContact CG2-CG1 4.01Å; A91-I313 HydrophobicContact CB-CG2 3.63Å; R310-I313 WeakPolarHBondContact O-CB 3.2Å; R310-I313 PolarHBondContact O-N 3.43Å; P311-I313 VanDerWaalsContact C-N 3.34Å; P311-I313 PolarHBondContact O-N 3.49Å; I313-L316 HydrophobicContact CD1-CD2 4.44Å; I313-L316 WeakPolarHBondContact O-CB 3.29Å; I313-L316 PolarHBondContact O-N 2.69Å; I313-A317 PolarHBondContact O-N 2.89Å
314Y98.5Very high98.7Very high0 Ų07.8 Ų7.80%05%0.046CC..Hα-helixtrans-66.7-45173.2-56.4-31.3000111.3E17 A20 Y29 I32 S33 R310 P311 L316 A317 L318E17-Y314 HydrophobicContact CB-CD2 3.77Å; E17-Y314 HydrophobicContact CB-CE2 3.52Å; E17-Y314 HydrophobicContact CG-CD2 4.31Å; E17-Y314 HydrophobicContact CG-CE2 3.6Å; E17-Y314 PolarHBondContact OE1-OH 2.8Å; A20-Y314 HydrophobicContact CB-CD1 3.68Å; A20-Y314 HydrophobicContact CB-CG 3.98Å; Y29-Y314 HydrophobicContact CE2-CE1 4.41Å; I32-Y314 HydrophobicContact CG2-CD1 4.38Å; I32-Y314 HydrophobicContact CG2-CE1 3.63Å; S33-Y314 WeakPolarHBondContact CA-OH 3.19Å; S33-Y314 WeakPolarHBondContact CB-OH 3.34Å; R310-Y314 HydrophobicContact CB-CE2 3.88Å; R310-Y314 WeakPolarHBondContact O-CD2 3.35Å; R310-Y314 PolarHBondContact O-N 3.16Å; P311-Y314 PolarHBondContact O-N 2.74Å; Y314-L316 VanDerWaalsContact C-N 3.31Å; Y314-L316 PolarHBondContact O-N 3Å; Y314-A317 PolarHBondContact O-N 2.6Å; Y314-L318 WeakPolarHBondContact O-CG 3.47Å; Y314-L318 PolarHBondContact O-N 2.98Å
315G98.6Very high98.7Very high0 Ų08.2 Ų8.20%05%0.047CC..Hα-helixtrans-59.5-40.1172.200000112.9P311 V312 A317 L318 G319 G323P311-G315 PolarHBondContact O-N 3.5Å; V312-G315 PolarHBondContact O-N 2.95Å; G315-A317 PolarHBondContact O-N 3.03Å; G315-L318 PolarHBondContact O-N 3.22Å; G315-G319 PolarHBondContact O-N 3.4Å; G315-G323 WeakPolarHBondContact O-CA 3.44Å
316L98.7Very high98.6Very high0 Ų010.7 Ų10.70%06%0.059CC..Hα-helixtrans-60-44.817517567.2000112.1H88 A91 N92 A98 V312 I313 Y314 L318 G320 V324H88-L316 HydrophobicContact CB-CD2 3.77Å; A91-L316 HydrophobicContact CB-CD2 4.13Å; A91-L316 HydrophobicContact CB-CG 4.44Å; N92-L316 HydrophobicContact CB-CD1 3.87Å; N92-L316 HydrophobicContact CB-CD2 4.29Å; N92-L316 HydrophobicContact CB-CG 3.7Å; N92-L316 PolarHBondContact ND2-O 3.43Å; A98-L316 HydrophobicContact CB-CD1 3.56Å; V312-L316 VanDerWaalsContact O-CB 3.31Å; V312-L316 WeakPolarHBondContact O-CB 3.33Å; V312-L316 PolarHBondContact O-N 2.84Å; I313-L316 HydrophobicContact CD1-CD2 4.44Å; I313-L316 WeakPolarHBondContact O-CB 3.29Å; I313-L316 PolarHBondContact O-N 2.69Å; Y314-L316 VanDerWaalsContact C-N 3.31Å; Y314-L316 PolarHBondContact O-N 3Å; L316-L318 VanDerWaalsContact C-N 3.26Å; L316-L318 PolarHBondContact O-N 3.36Å; L316-G320 WeakPolarHBondContact O-CA 3.41Å; L316-G320 PolarHBondContact O-N 3.22Å; L316-V324 HydrophobicContact CB-CG2 3.72Å; L316-V324 HydrophobicContact CD1-CG2 4.01Å; L316-V324 HydrophobicContact CG-CG2 4.44Å
317A98.4Very high98.6Very high0 Ų010.7 Ų10.70%06%0.059CC..Hα-helixtrans-61.5-36.6179.300000112.4A20 V23 I24 A91 I313 Y314 G315A20-A317 HydrophobicContact CB-CB 4.4Å; V23-A317 HydrophobicContact CG2-CB 4.08Å; I24-A317 HydrophobicContact CD1-CB 3.69Å; I24-A317 HydrophobicContact CG1-CB 3.69Å; A91-A317 HydrophobicContact CB-CB 4.02Å; A91-A317 WeakPolarHBondContact O-CA 3.37Å; I313-A317 PolarHBondContact O-N 2.89Å; Y314-A317 PolarHBondContact O-N 2.6Å; G315-A317 PolarHBondContact O-N 3.03Å
318L98.3Very high98.6Very high40 Ų4010.6 Ų10.621%0.2096%0.058CC..Hα-helixtrans-90.2-28.3-172.8-64.2168000114A4 I8 L16 A19 V23 Y314 G315 L316A4-L318 WeakPolarHBondContact CB-O 3.3Å; I8-L318 HydrophobicContact CD1-CB 4.21Å; I8-L318 VanDerWaalsContact CG2-C 3.47Å; I8-L318 HydrophobicContact CG2-CB 3.73Å; I8-L318 VanDerWaalsContact CG2-O 3.28Å; I8-L318 WeakPolarHBondContact CG2-O 3.37Å; L16-L318 HydrophobicContact CD2-CD1 3.75Å; A19-L318 HydrophobicContact CB-CD1 3.66Å; A19-L318 HydrophobicContact CB-CD2 3.89Å; A19-L318 HydrophobicContact CB-CG 4.44Å; V23-L318 HydrophobicContact CG1-CD2 4.36Å; V23-L318 HydrophobicContact CG2-CD2 3.92Å; Y314-L318 WeakPolarHBondContact O-CG 3.47Å; Y314-L318 PolarHBondContact O-N 2.98Å; G315-L318 PolarHBondContact O-N 3.22Å; L316-L318 VanDerWaalsContact C-N 3.26Å; L316-L318 PolarHBondContact O-N 3.36Å
319G98.3Very high98.6Very high1 Ų113.7 Ų13.71%0.017%0.074CC..Hα-helixtrans-146.210.3-170.100000115.8A4 E5 G6 G315 S321 T322 G323A4-G319 CarbonylContact O-C 3.45Å; E5-G319 WeakPolarHBondContact CA-O 3.38Å; G6-G319 PolarHBondContact N-O 2.87Å; G6-G319 VanDerWaalsContact N-O 3.13Å; G6-G319 WeakPolarHBondContact O-CA 3.41Å; G315-G319 PolarHBondContact O-N 3.4Å; G319-S321 PolarHBondContact O-N 3.22Å; G319-T322 PolarHBondContact O-N 3.45Å; G319-G323 PolarHBondContact O-N 2.96Å
320G98.5Very high98.6Very high0 Ų014.2 Ų14.20%07%0.071CC..Hα-helixtrans62.3-136.6177.600000112.2A4 L316 T322 G323 V324A4-G320 WeakPolarHBondContact O-CA 3.37Å; A4-G320 PolarHBondContact O-N 3.18Å; L316-G320 WeakPolarHBondContact O-CA 3.41Å; L316-G320 PolarHBondContact O-N 3.22Å; G320-T322 VanDerWaalsContact C-N 3.28Å; G320-T322 PolarHBondContact O-N 3.32Å; G320-G323 PolarHBondContact O-N 2.93Å; G320-V324 WeakPolarHBondContact O-CG2 3.36Å; G320-V324 PolarHBondContact O-N 2.89Å; G320-V324 VanDerWaalsContact O-N 3.1Å
321S98.6Very high98.6Very high0 Ų013.2 Ų13.20%07%0.067CC..Hα-helixtrans-66.2-32.5179.272.90000112.7E5 A98 G102 R105 G319 Q325E5-S321 VanDerWaalsContact CD-OG 3.28Å; E5-S321 PolarHBondContact OE1-OG 3.24Å; E5-S321 PolarHBondContact OE2-N 3.2Å; E5-S321 PolarHBondContact OE2-OG 3.04Å; A98-S321 VanDerWaalsContact O-CA 3.3Å; A98-S321 WeakPolarHBondContact O-CA 3.33Å; A98-S321 WeakPolarHBondContact O-CB 3.31Å; G102-S321 VanDerWaalsContact CA-O 3.24Å; G102-S321 WeakPolarHBondContact CA-O 3.17Å; R105-S321 PolarHBondContact NH1-OG 3.37Å; G319-S321 PolarHBondContact O-N 3.22Å; S321-Q325 PolarHBondContact O-N 3.05Å; S321-Q325 VanDerWaalsContact O-N 3.11Å
322T98.6Very high98.7Very high32 Ų3215.6 Ų15.620%0.1968%0.078CC..Hα-helixtrans-68.9-43.3176.2-560000111.4E5 G6 G319 G320 V324 Q325 Q326E5-T322 PolarHBondContact OE1-N 3.04Å; E5-T322 VanDerWaalsContact OE1-N 3.12Å; E5-T322 PolarHBondContact OE1-OG1 3.3Å; G6-T322 WeakPolarHBondContact O-CB 3.29Å; G6-T322 WeakPolarHBondContact O-CG2 3.04Å; G319-T322 PolarHBondContact O-N 3.45Å; G320-T322 VanDerWaalsContact C-N 3.28Å; G320-T322 PolarHBondContact O-N 3.32Å; T322-V324 PolarHBondContact O-N 3.29Å; T322-Q325 PolarHBondContact O-N 3.4Å; T322-Q326 WeakPolarHBondContact O-CG 3.4Å; T322-Q326 PolarHBondContact O-N 2.93Å
323G98.6Very high98.7Very high0 Ų022.9 Ų22.90%011%0.109CC..Hα-helixtrans-63.3-39.1175.700000112.9G315 G319 G320 Q326 V327G315-G323 WeakPolarHBondContact O-CA 3.44Å; G319-G323 PolarHBondContact O-N 2.96Å; G320-G323 PolarHBondContact O-N 2.93Å; G323-Q326 PolarHBondContact O-N 3.26Å; G323-V327 WeakPolarHBondContact O-CG2 3.41Å; G323-V327 PolarHBondContact O-N 3.31Å; G323-V327 VanDerWaalsContact O-N 3.14Å
324V98.8Very high98.7Very high0 Ų023.8 Ų23.80%011%0.113CC..Hα-helixtrans-58.7-49.8172167.10000111.2V103 V312 L316 G320 T322 Q326 V327 F328V103-V324 HydrophobicContact CG2-CG1 3.97Å; V312-V324 HydrophobicContact CG1-CB 4.28Å; V312-V324 HydrophobicContact CG1-CG1 3.78Å; V312-V324 HydrophobicContact CG1-CG2 3.89Å; L316-V324 HydrophobicContact CB-CG2 3.72Å; L316-V324 HydrophobicContact CD1-CG2 4.01Å; L316-V324 HydrophobicContact CG-CG2 4.44Å; G320-V324 WeakPolarHBondContact O-CG2 3.36Å; G320-V324 PolarHBondContact O-N 2.89Å; G320-V324 VanDerWaalsContact O-N 3.1Å; T322-V324 PolarHBondContact O-N 3.29Å; V324-Q326 PolarHBondContact O-N 3.1Å; V324-V327 PolarHBondContact O-N 2.61Å; V324-F328 HydrophobicContact CG1-CD2 4.39Å; V324-F328 HydrophobicContact CG1-CE2 4.37Å; V324-F328 WeakPolarHBondContact O-CD2 3.4Å; V324-F328 PolarHBondContact O-N 3.5Å
325Q98.8Very high98.7Very high49 Ų4923.8 Ų23.823%0.22911%0.113CC..Hα-helixtrans-58-47.1178.1-178.6-175.8-2.700111.5R105 S321 T322 V327 F328 D329R105-Q325 HydrophobicContact CB-CG 4.34Å; S321-Q325 PolarHBondContact O-N 3.05Å; S321-Q325 VanDerWaalsContact O-N 3.11Å; T322-Q325 PolarHBondContact O-N 3.4Å; Q325-V327 VanDerWaalsContact C-N 3.27Å; Q325-V327 PolarHBondContact O-N 3.24Å; Q325-F328 PolarHBondContact O-N 3.31Å; Q325-D329 PolarHBondContact O-N 3.44Å
326Q98.8Very high98.7Very high51 Ų5126.4 Ų26.424%0.23813%0.126CC..Hα-helixtrans-62.3-32-179.1-73.7-178.6-72.800113.3I8 F10 T322 G323 V324 D329 F330I8-Q326 VanDerWaalsContact CG1-OE1 3.24Å; I8-Q326 PolarHBondContact O-NE2 2.84Å; F10-Q326 HydrophobicContact CE1-CB 4.11Å; F10-Q326 HydrophobicContact CZ-CB 4.44Å; T322-Q326 WeakPolarHBondContact O-CG 3.4Å; T322-Q326 PolarHBondContact O-N 2.93Å; G323-Q326 PolarHBondContact O-N 3.26Å; V324-Q326 PolarHBondContact O-N 3.1Å; Q326-D329 PolarHBondContact O-N 2.95Å; Q326-F330 WeakPolarHBondContact O-CB 3.24Å; Q326-F330 PolarHBondContact O-N 2.59Å
327V98.9Very high98.7Very high0 Ų031 Ų310%015%0.148CC..Hα-helixtrans-62.7-44.6173171.30000110.8F10 M13 L16 P311 V312 G323 V324 Q325 F330 F331F10-V327 HydrophobicContact CZ-CG2 4.47Å; M13-V327 HydrophobicContact CE-CG1 4.14Å; M13-V327 HydrophobicContact SD-CG1 4.16Å; L16-V327 HydrophobicContact CD1-CG2 3.64Å; P311-V327 HydrophobicContact CB-CG1 4.02Å; V312-V327 HydrophobicContact CG2-CG1 3.96Å; G323-V327 WeakPolarHBondContact O-CG2 3.41Å; G323-V327 PolarHBondContact O-N 3.31Å; G323-V327 VanDerWaalsContact O-N 3.14Å; V324-V327 PolarHBondContact O-N 2.61Å; Q325-V327 VanDerWaalsContact C-N 3.27Å; Q325-V327 PolarHBondContact O-N 3.24Å; V327-F330 WeakPolarHBondContact O-CB 3.44Å; V327-F330 PolarHBondContact O-N 3.25Å; V327-F331 HydrophobicContact CG1-CD2 4.08Å; V327-F331 HydrophobicContact CG1-CE2 3.95Å; V327-F331 VanDerWaalsContact O-CD2 3.25Å; V327-F331 WeakPolarHBondContact O-CD2 3.2Å; V327-F331 PolarHBondContact O-N 3.3Å
328F98.9Very high98.7Very high0 Ų031.7 Ų31.70%015%0.152CC..Hα-helixtrans-67.9-41.6176.5-80.7-85.8000112.3I80 M82 V103 F106 T108 I308 V312 V324 Q325 F330 F331 K332I80-F328 HydrophobicContact CB-CE1 4.44Å; I80-F328 HydrophobicContact CD1-CD1 3.64Å; I80-F328 HydrophobicContact CD1-CE1 4.37Å; I80-F328 HydrophobicContact CG1-CD1 3.84Å; I80-F328 HydrophobicContact CG1-CE1 4.22Å; M82-F328 HydrophobicContact CB-CZ 3.96Å; V103-F328 HydrophobicContact CG2-CD2 4.42Å; V103-F328 HydrophobicContact CG2-CE2 3.71Å; V103-F328 HydrophobicContact CG2-CZ 4.2Å; F106-F328 HydrophobicContact CB-CB 4.09Å; F106-F328 HydrophobicContact CD1-CB 3.8Å; F106-F328 AromaticContact CD1-CD1 3.98Å; F106-F328 HydrophobicContact CD1-CD1 3.98Å; F106-F328 HydrophobicContact CD1-CG 4.06Å; F106-F328 HydrophobicContact CD2-CB 3.45Å; F106-F328 VanDerWaalsContact CD2-CB 3.45Å; F106-F328 HydrophobicContact CE1-CB 4.04Å; F106-F328 AromaticContact CE1-CD1 3.97Å; F106-F328 HydrophobicContact CE1-CD1 3.97Å; F106-F328 HydrophobicContact CE1-CG 4.37Å; F106-F328 HydrophobicContact CE2-CB 3.72Å; F106-F328 HydrophobicContact CG-CB 3.48Å; F106-F328 VanDerWaalsContact CG-CB 3.48Å; F106-F328 HydrophobicContact CG-CD1 4.5Å; F106-F328 HydrophobicContact CG-CG 4.13Å; F106-F328 HydrophobicContact CZ-CB 4Å; T108-F328 HydrophobicContact CG2-CD1 4.19Å; T108-F328 HydrophobicContact CG2-CE1 3.98Å; I308-F328 HydrophobicContact CB-CZ 4.5Å; I308-F328 HydrophobicContact CG1-CE1 4.28Å; V312-F328 HydrophobicContact CG1-CE2 4.23Å; V312-F328 HydrophobicContact CG2-CD2 4.33Å; V312-F328 HydrophobicContact CG2-CE2 3.6Å; V312-F328 HydrophobicContact CG2-CZ 4.02Å; V324-F328 HydrophobicContact CG1-CD2 4.39Å; V324-F328 HydrophobicContact CG1-CE2 4.37Å; V324-F328 WeakPolarHBondContact O-CD2 3.4Å; V324-F328 PolarHBondContact O-N 3.5Å; Q325-F328 PolarHBondContact O-N 3.31Å; F328-F330 VanDerWaalsContact C-N 3.25Å; F328-F330 PolarHBondContact O-N 2.98Å; F328-F331 PolarHBondContact O-N 3.43Å; F328-F331 VanDerWaalsContact O-N 3.16Å; F328-K332 PolarHBondContact O-N 2.93Å
329D98.8Very high98.7Very high66 Ų6629.8 Ų29.835%0.35314%0.142SC..Hα-helixtrans-58.1-39.4174.5-71.8-32.4000111.6F106 Q325 Q326 K332 K333F106-D329 WeakPolarHBondContact CD2-OD1 3.26Å; Q325-D329 PolarHBondContact O-N 3.44Å; Q326-D329 PolarHBondContact O-N 2.95Å; D329-K332 PolarHBondContact O-N 3.45Å; D329-K333 WeakPolarHBondContact O-CB 3.42Å; D329-K333 PolarHBondContact O-N 3.16Å
330F98.7Very high98.8Very high33 Ų3333.2 Ų33.215%0.14516%0.158CC..Hα-helixtrans-60.4-51.2173.9176.2-81.7000111.7F10 I11 N12 M13 Q326 V327 F328 K332 K333 E334F10-F330 HydrophobicContact CD2-CD2 4.48Å; F10-F330 HydrophobicContact CE2-CB 3.98Å; F10-F330 AromaticContact CE2-CD2 3.8Å; F10-F330 HydrophobicContact CE2-CD2 3.8Å; F10-F330 AromaticContact CE2-CG 3.94Å; F10-F330 HydrophobicContact CE2-CG 3.94Å; F10-F330 HydrophobicContact CZ-CB 4.08Å; I11-F330 WeakPolarHBondContact O-CE2 3.49Å; N12-F330 HydrophobicContact CB-CZ 4.35Å; M13-F330 HydrophobicContact CE-CB 3.85Å; M13-F330 HydrophobicContact CE-CD1 2.98Å; M13-F330 HydrophobicContact CE-CD2 4.34Å; M13-F330 HydrophobicContact CE-CE1 3.5Å; M13-F330 VanDerWaalsContact CE-CE1 3.5Å; M13-F330 HydrophobicContact CE-CG 3.46Å; M13-F330 VanDerWaalsContact CE-CG 3.46Å; M13-F330 HydrophobicContact CE-CZ 4.37Å; Q326-F330 WeakPolarHBondContact O-CB 3.24Å; Q326-F330 PolarHBondContact O-N 2.59Å; V327-F330 WeakPolarHBondContact O-CB 3.44Å; V327-F330 PolarHBondContact O-N 3.25Å; F328-F330 VanDerWaalsContact C-N 3.25Å; F328-F330 PolarHBondContact O-N 2.98Å; F330-K332 VanDerWaalsContact C-N 3.3Å; F330-K332 PolarHBondContact O-N 2.86Å; F330-K333 PolarHBondContact O-N 2.9Å; F330-E334 HydrophobicContact CD1-CG 4.26Å; F330-E334 HydrophobicContact CE1-CG 3.72Å; F330-E334 WeakPolarHBondContact CE1-OE2 3.34Å; F330-E334 HydrophobicContact CE2-CG 4.26Å; F330-E334 HydrophobicContact CZ-CG 3.71Å; F330-E334 VanDerWaalsContact CZ-OE1 3.22Å; F330-E334 WeakPolarHBondContact CZ-OE1 3.34Å; F330-E334 PolarHBondContact O-N 3.21Å
331F98.8Very high98.8Very high1 Ų138.4 Ų38.40%0.00419%0.185CC..Hα-helixtrans-60.4-41.6-179.8-86.2-73000111.7M13 I80 V289 V295 I308 P311 V327 F328 L335M13-F331 HydrophobicContact CE-CD2 4.04Å; M13-F331 HydrophobicContact CE-CE2 3.74Å; M13-F331 HydrophobicContact CE-CZ 4.27Å; M13-F331 HydrophobicContact CG-CE2 4.41Å; M13-F331 HydrophobicContact CG-CZ 4.18Å; M13-F331 HydrophobicContact SD-CE2 4.01Å; M13-F331 HydrophobicContact SD-CZ 4.36Å; I80-F331 HydrophobicContact CD1-CB 3.54Å; V289-F331 HydrophobicContact CG1-CE1 3.8Å; V289-F331 HydrophobicContact CG1-CZ 4.33Å; V295-F331 HydrophobicContact CG2-CD1 3.98Å; V295-F331 HydrophobicContact CG2-CE1 4.47Å; I308-F331 HydrophobicContact CD1-CD1 4.34Å; I308-F331 HydrophobicContact CD1-CD2 4.31Å; I308-F331 HydrophobicContact CD1-CE1 4.11Å; I308-F331 HydrophobicContact CD1-CE2 4.12Å; I308-F331 HydrophobicContact CD1-CG 4.43Å; I308-F331 HydrophobicContact CD1-CZ 4.01Å; I308-F331 HydrophobicContact CG1-CD2 4.21Å; I308-F331 HydrophobicContact CG1-CE2 4.19Å; I308-F331 HydrophobicContact CG2-CD2 4.23Å; I308-F331 HydrophobicContact CG2-CE2 3.52Å; I308-F331 HydrophobicContact CG2-CZ 4.01Å; P311-F331 HydrophobicContact CB-CE2 4.28Å; P311-F331 HydrophobicContact CG-CZ 4.5Å; V327-F331 HydrophobicContact CG1-CD2 4.08Å; V327-F331 HydrophobicContact CG1-CE2 3.95Å; V327-F331 VanDerWaalsContact O-CD2 3.25Å; V327-F331 WeakPolarHBondContact O-CD2 3.2Å; V327-F331 PolarHBondContact O-N 3.3Å; F328-F331 PolarHBondContact O-N 3.43Å; F328-F331 VanDerWaalsContact O-N 3.16Å; F331-L335 VanDerWaalsContact O-CB 3.26Å; F331-L335 WeakPolarHBondContact O-CB 3.36Å; F331-L335 PolarHBondContact O-N 3.18Å
332K98.8Very high98.8Very high51 Ų5138.5 Ų38.522%0.22219%0.186CC..Hα-helixtrans-59.7-50.9174.8177.7179.3-178.3-74.60111.6T67 T77 A78 F106 F328 D329 F330 E334 L335 E336T67-K332 WeakPolarHBondContact OG1-CE 3.45Å; T77-K332 HydrophobicContact CG2-CD 3.74Å; A78-K332 HydrophobicContact CB-CB 4.46Å; A78-K332 HydrophobicContact CB-CG 4.44Å; F106-K332 HydrophobicContact CE2-CB 3.99Å; F106-K332 HydrophobicContact CE2-CD 3.89Å; F106-K332 HydrophobicContact CZ-CB 4.04Å; F106-K332 HydrophobicContact CZ-CD 4.13Å; F328-K332 PolarHBondContact O-N 2.93Å; D329-K332 PolarHBondContact O-N 3.45Å; F330-K332 VanDerWaalsContact C-N 3.3Å; F330-K332 PolarHBondContact O-N 2.86Å; K332-E334 PolarHBondContact O-N 3.48Å; K332-L335 WeakPolarHBondContact O-CB 3.45Å; K332-L335 PolarHBondContact O-N 2.99Å; K332-L335 VanDerWaalsContact O-N 3.15Å; K332-E336 IonicContact NZ-OE1 2.66Å; K332-E336 PolarHBondContact NZ-OE1 2.94Å; K332-E336 WeakPolarHBondContact O-CG 3.33Å; K332-E336 PolarHBondContact O-N 3.15Å
333K98.7Very high98.8Very high153 Ų15337 Ų3767%0.66518%0.177SC*.Hα-helixtrans-63.6-42.1-178.7-175.7177.8179.1-178.70112.5D329 F330 L335 M337D329-K333 WeakPolarHBondContact O-CB 3.42Å; D329-K333 PolarHBondContact O-N 3.16Å; F330-K333 PolarHBondContact O-N 2.9Å; K333-L335 VanDerWaalsContact C-N 3.34Å; K333-M337 PolarHBondContact O-N 3.25Å; K333-M337 VanDerWaalsContact O-N 3.16Å
334E98.7Very high98.8Very high22 Ų2237.1 Ų37.110%0.10318%0.178CC..Hα-helixtrans-65.5-38.7173.4-80-155.7151.300111.5R291 G292 F330 K332 M337 V338R291-E334 WeakPolarHBondContact CA-OE2 3.31Å; R291-E334 WeakPolarHBondContact CB-OE2 3.12Å; R291-E334 IonicContact CZ-OE1 3.72Å; R291-E334 VanDerWaalsContact CZ-OE1 3.29Å; R291-E334 IonicContact NE-OE1 3.61Å; R291-E334 PolarHBondContact NE-OE1 2.84Å; R291-E334 IonicContact NE-OE2 2.82Å; R291-E334 PolarHBondContact NE-OE2 2.91Å; R291-E334 VanDerWaalsContact NE-OE2 3.11Å; R291-E334 IonicContact NH2-OE1 3.42Å; R291-E334 PolarHBondContact NH2-OE1 3.45Å; G292-E334 PolarHBondContact N-OE2 2.94Å; F330-E334 HydrophobicContact CD1-CG 4.26Å; F330-E334 HydrophobicContact CE1-CG 3.72Å; F330-E334 WeakPolarHBondContact CE1-OE2 3.34Å; F330-E334 HydrophobicContact CE2-CG 4.26Å; F330-E334 HydrophobicContact CZ-CG 3.71Å; F330-E334 VanDerWaalsContact CZ-OE1 3.22Å; F330-E334 WeakPolarHBondContact CZ-OE1 3.34Å; F330-E334 PolarHBondContact O-N 3.21Å; K332-E334 PolarHBondContact O-N 3.48Å; E334-M337 WeakPolarHBondContact O-CB 3.34Å; E334-M337 PolarHBondContact O-N 3.49Å; E334-V338 WeakPolarHBondContact O-CG2 3.28Å; E334-V338 PolarHBondContact O-N 3.28Å
335L98.9Very high98.8Very high1 Ų140 Ų401%0.00519%0.191CC..Hα-helixtrans-62.7-45176.7-179.161.9000111.5T67 P79 V295 F296 F331 K332 K333 M337 V338 M339 I350T67-L335 HydrophobicContact CG2-CB 4.41Å; T67-L335 HydrophobicContact CG2-CD2 3.86Å; T67-L335 HydrophobicContact CG2-CG 4.04Å; P79-L335 HydrophobicContact CG-CD2 4.02Å; V295-L335 HydrophobicContact CB-CD1 4.34Å; V295-L335 HydrophobicContact CG1-CD1 4.2Å; V295-L335 HydrophobicContact CG1-CD2 3.93Å; F296-L335 HydrophobicContact CB-CD1 3.98Å; F296-L335 HydrophobicContact CD2-CD1 4.45Å; F331-L335 VanDerWaalsContact O-CB 3.26Å; F331-L335 WeakPolarHBondContact O-CB 3.36Å; F331-L335 PolarHBondContact O-N 3.18Å; K332-L335 WeakPolarHBondContact O-CB 3.45Å; K332-L335 PolarHBondContact O-N 2.99Å; K332-L335 VanDerWaalsContact O-N 3.15Å; K333-L335 VanDerWaalsContact C-N 3.34Å; L335-M337 VanDerWaalsContact C-N 3.32Å; L335-M337 PolarHBondContact O-N 2.75Å; L335-V338 PolarHBondContact O-N 3.44Å; L335-V338 VanDerWaalsContact O-N 3.12Å; L335-M339 HydrophobicContact CD1-CG 4.23Å; L335-M339 HydrophobicContact CG-CG 4.26Å; L335-M339 HydrophobicContact CG-SD 3.99Å; L335-M339 WeakPolarHBondContact O-CB 3.49Å; L335-M339 VanDerWaalsContact O-CG 3.24Å; L335-M339 WeakPolarHBondContact O-CG 3.3Å; L335-M339 PolarHBondContact O-N 3.16Å; L335-I350 HydrophobicContact CD1-CD1 4.09Å
336E98.9Very high98.8Very high55 Ų5540.1 Ų40.126%0.25720%0.195SC..Hα-helixtrans-56.1-45.6174.7-72.4168.117100111.6T67 K332 V338 M339 Q340T67-E336 HydrophobicContact CG2-CG 3.65Å; K332-E336 IonicContact NZ-OE1 2.66Å; K332-E336 PolarHBondContact NZ-OE1 2.94Å; K332-E336 WeakPolarHBondContact O-CG 3.33Å; K332-E336 PolarHBondContact O-N 3.15Å; E336-V338 PolarHBondContact O-N 3.36Å; E336-M339 PolarHBondContact O-N 3.34Å; E336-Q340 WeakPolarHBondContact O-CB 3.41Å; E336-Q340 PolarHBondContact O-N 2.71Å
337M98.7Very high98.8Very high95 Ų9537.8 Ų37.847%0.46818%0.184SC..Hα-helixtrans-59.2-47.2175.1178.5-165.961.800111.3K333 E334 L335 Q340 L341K333-M337 PolarHBondContact O-N 3.25Å; K333-M337 VanDerWaalsContact O-N 3.16Å; E334-M337 WeakPolarHBondContact O-CB 3.34Å; E334-M337 PolarHBondContact O-N 3.49Å; L335-M337 VanDerWaalsContact C-N 3.32Å; L335-M337 PolarHBondContact O-N 2.75Å; M337-Q340 PolarHBondContact O-N 2.93Å; M337-L341 HydrophobicContact CG-CD1 4.19Å; M337-L341 WeakPolarHBondContact O-CG 3.46Å; M337-L341 PolarHBondContact O-N 3.43Å; M337-L341 VanDerWaalsContact O-N 3.13Å
338V98.9Very high98.7Very high15 Ų1542 Ų429%0.09120%0.204CC..Hα-helixtrans-64.2-42.8179.4174.60000111I54 Q293 F296 E334 L335 E336 Q340 L341 A342I54-V338 HydrophobicContact CD1-CG1 3.57Å; Q293-V338 HydrophobicContact CB-CG2 4.08Å; F296-V338 HydrophobicContact CB-CG1 3.81Å; F296-V338 HydrophobicContact CD1-CG1 4.48Å; F296-V338 HydrophobicContact CD2-CG1 3.63Å; F296-V338 HydrophobicContact CE2-CG1 4.29Å; F296-V338 HydrophobicContact CG-CG1 3.73Å; E334-V338 WeakPolarHBondContact O-CG2 3.28Å; E334-V338 PolarHBondContact O-N 3.28Å; L335-V338 PolarHBondContact O-N 3.44Å; L335-V338 VanDerWaalsContact O-N 3.12Å; E336-V338 PolarHBondContact O-N 3.36Å; V338-Q340 VanDerWaalsContact C-N 3.34Å; V338-Q340 PolarHBondContact O-N 3.03Å; V338-L341 PolarHBondContact O-N 3.49Å; V338-A342 WeakPolarHBondContact O-CB 3.26Å; V338-A342 PolarHBondContact O-N 3.49Å
339M98.9Very high98.7Very high0 Ų044.2 Ų44.20%022%0.216CC..Hα-helixtrans-59.5-44.2177.3-73.8173.977.400112P65 T67 F296 L335 E336 L341 A342 G343 T344 I350P65-M339 HydrophobicContact CB-CB 3.58Å; P65-M339 HydrophobicContact CB-CE 3.78Å; P65-M339 HydrophobicContact CB-CG 4.42Å; P65-M339 HydrophobicContact CB-SD 4Å; P65-M339 HydrophobicContact CG-CB 3.88Å; T67-M339 HydrophobicContact CG2-SD 3.65Å; F296-M339 HydrophobicContact CD2-CG 4.39Å; L335-M339 HydrophobicContact CD1-CG 4.23Å; L335-M339 HydrophobicContact CG-CG 4.26Å; L335-M339 HydrophobicContact CG-SD 3.99Å; L335-M339 WeakPolarHBondContact O-CB 3.49Å; L335-M339 VanDerWaalsContact O-CG 3.24Å; L335-M339 WeakPolarHBondContact O-CG 3.3Å; L335-M339 PolarHBondContact O-N 3.16Å; E336-M339 PolarHBondContact O-N 3.34Å; M339-L341 PolarHBondContact O-N 3.09Å; M339-A342 PolarHBondContact O-N 2.89Å; M339-G343 PolarHBondContact O-N 2.9Å; M339-T344 VanDerWaalsContact CA-OG1 3.23Å; M339-T344 WeakPolarHBondContact CA-OG1 3.38Å; M339-T344 WeakPolarHBondContact CB-OG1 3.47Å; M339-T344 PolarHBondContact O-N 2.9Å; M339-T344 PolarHBondContact O-OG1 2.95Å; M339-I350 HydrophobicContact CE-CD1 4.05Å; M339-I350 HydrophobicContact CE-CG1 4.34Å; M339-I350 HydrophobicContact CG-CD1 3.63Å; M339-I350 HydrophobicContact CG-CG1 4.11Å; M339-I350 HydrophobicContact SD-CD1 3.86Å
340Q98.8Very high98.7Very high74 Ų7441 Ų4135%0.34620%0.199SC..Hα-helixtrans-60.4-45.8177-17963.760.700111.3V62 P65 E336 M337 V338 G343V62-Q340 PolarHBondContact O-NE2 3.36Å; P65-Q340 HydrophobicContact CG-CB 3.86Å; E336-Q340 WeakPolarHBondContact O-CB 3.41Å; E336-Q340 PolarHBondContact O-N 2.71Å; M337-Q340 PolarHBondContact O-N 2.93Å; V338-Q340 VanDerWaalsContact C-N 3.34Å; V338-Q340 PolarHBondContact O-N 3.03Å; Q340-G343 PolarHBondContact O-N 3.27Å
341L98.7Very high98.7Very high109 Ų10942.2 Ų42.257%0.57120%0.204SC*.Hα-helixtrans-76.2-26.8-177.9-63.6177.9000113.3P56 H57 M337 V338 M339P56-L341 WeakPolarHBondContact CA-O 3.38Å; H57-L341 PolarHBondContact N-O 3.27Å; M337-L341 HydrophobicContact CG-CD1 4.19Å; M337-L341 WeakPolarHBondContact O-CG 3.46Å; M337-L341 PolarHBondContact O-N 3.43Å; M337-L341 VanDerWaalsContact O-N 3.13Å; V338-L341 PolarHBondContact O-N 3.49Å; M339-L341 PolarHBondContact O-N 3.09Å
342A98.6Very high98.7Very high2 Ų249.4 Ų49.42%0.01724%0.235CC..Hα-helixtrans-86.3-7.3173.800000112.8I54 H57 F296 V338 M339I54-A342 HydrophobicContact CG2-CB 3.75Å; H57-A342 PolarHBondContact CD2-O 2.97Å; F296-A342 HydrophobicContact CE1-CB 4.45Å; F296-A342 HydrophobicContact CE2-CB 3.62Å; F296-A342 HydrophobicContact CZ-CB 3.51Å; V338-A342 WeakPolarHBondContact O-CB 3.26Å; V338-A342 PolarHBondContact O-N 3.49Å; M339-A342 PolarHBondContact O-N 2.89Å
343G98.3Very high98.6Very high1 Ų148.1 Ų48.11%0.0123%0.231CC..THydrogen-bonded Turntrans65.746.8178.700000113.6R60 M339 Q340R60-G343 PolarHBondContact NE-O 3.48Å; R60-G343 VanDerWaalsContact NE-O 3.12Å; R60-G343 PolarHBondContact NH2-O 2.94Å; M339-G343 PolarHBondContact O-N 2.9Å; Q340-G343 PolarHBondContact O-N 3.27Å
344T98.7Very high98.5Very high1 Ų147.2 Ų47.21%0.00624%0.238CC..  trans-117.7121.4173.855.30000109.5F296 M339 D349 I350 I353F296-T344 HydrophobicContact CE2-CG2 3.97Å; F296-T344 HydrophobicContact CZ-CG2 4.03Å; M339-T344 VanDerWaalsContact CA-OG1 3.23Å; M339-T344 WeakPolarHBondContact CA-OG1 3.38Å; M339-T344 WeakPolarHBondContact CB-OG1 3.47Å; M339-T344 PolarHBondContact O-N 2.9Å; M339-T344 PolarHBondContact O-OG1 2.95Å; T344-D349 HydrophobicContact CG2-CB 4.05Å; T344-I350 HydrophobicContact CG2-CG1 4.34Å; T344-I353 HydrophobicContact CG2-CD1 3.82Å; T344-I353 HydrophobicContact CG2-CG1 3.62Å
345Q98.7Very high98.5Very high61 Ų6147 Ų4729%0.28524%0.237SC..SBendtrans-81.7-34.9-177.4-174.963.553.100112V62 E63 L64 D66 D349V62-Q345 HydrophobicContact CG2-CB 4.3Å; E63-Q345 PolarHBondContact O-NE2 3.49Å; E63-Q345 PolarHBondContact O-OE1 3.23Å; L64-Q345 PolarHBondContact O-NE2 2.95Å; D66-Q345 PolarHBondContact N-O 3.47Å; Q345-D349 WeakPolarHBondContact CB-OD2 3.29Å; Q345-D349 PolarHBondContact N-OD2 3.36Å; Q345-D349 VanDerWaalsContact N-OD2 3.11Å
346T98.9Very high98.4Very high51 Ų5154 Ų5431%0.31326%0.264SS..BIsolated β-bridgetrans-128.5164.6-174.565.20000111.6E348 D349 I350T346-E348 PolarHBondContact O-N 2.99Å; T346-D349 PolarHBondContact N-OD2 3.23Å; T346-D349 WeakPolarHBondContact O-CB 3.41Å; T346-D349 PolarHBondContact O-N 3.14Å; T346-D349 PolarHBondContact OG1-N 3.44Å; T346-D349 PolarHBondContact OG1-OD2 3.19Å; T346-I350 PolarHBondContact O-N 2.91Å
347V98.8Very high98.4Very high2 Ų256.4 Ų56.41%0.01228%0.275CS..Hα-helixtrans-55.4-38.3171.8174.80000111.9T67 P79 L299 D349 I350 K351T67-V347 VanDerWaalsContact O-CG2 3.23Å; T67-V347 WeakPolarHBondContact O-CG2 3.36Å; P79-V347 HydrophobicContact CB-CG1 4.13Å; P79-V347 HydrophobicContact CG-CG1 4.15Å; P79-V347 HydrophobicContact CG-CG2 3.99Å; L299-V347 HydrophobicContact CD1-CG1 4.42Å; V347-D349 PolarHBondContact O-N 3.25Å; V347-I350 VanDerWaalsContact O-CB 3.31Å; V347-I350 WeakPolarHBondContact O-CB 3.24Å; V347-I350 PolarHBondContact O-N 2.89Å; V347-I350 VanDerWaalsContact O-N 3.09Å; V347-K351 PolarHBondContact O-N 3.06Å
348E98.6Very high98.3Very high89 Ų8953.3 Ų53.342%0.41626%0.26SS..Hα-helixtrans-68.1-23.6177.9-67.3-56.912600113.1T346 K351 K352T346-E348 PolarHBondContact O-N 2.99Å; E348-K351 IonicContact OE1-NZ 2.74Å; E348-K351 PolarHBondContact OE1-NZ 3.43Å; E348-K351 VanDerWaalsContact OE1-NZ 3.14Å; E348-K352 WeakPolarHBondContact O-CD 3.32Å; E348-K352 WeakPolarHBondContact O-CE 3.3Å; E348-K352 WeakPolarHBondContact O-CG 3.44Å
349D98.6Very high98Very high46 Ų4663.4 Ų63.425%0.24630%0.296CS..Hα-helixtrans-72.9-35.7170.9-60.1-41.8000111.3T344 Q345 T346 V347 K351 K352T344-D349 HydrophobicContact CG2-CB 4.05Å; Q345-D349 WeakPolarHBondContact CB-OD2 3.29Å; Q345-D349 PolarHBondContact N-OD2 3.36Å; Q345-D349 VanDerWaalsContact N-OD2 3.11Å; T346-D349 PolarHBondContact N-OD2 3.23Å; T346-D349 WeakPolarHBondContact O-CB 3.41Å; T346-D349 PolarHBondContact O-N 3.14Å; T346-D349 PolarHBondContact OG1-N 3.44Å; T346-D349 PolarHBondContact OG1-OD2 3.19Å; V347-D349 PolarHBondContact O-N 3.25Å; D349-K351 VanDerWaalsContact C-N 3.34Å; D349-K351 PolarHBondContact O-N 3.23Å; D349-K352 PolarHBondContact O-N 3.1Å
350I98.8Very high97.5Very high0 Ų073.6 Ų73.60%034%0.337CS..Hα-helixtrans-59.9-46.8174.9-53.6175.6000110.3F296 L299 A300 L335 M339 T344 T346 V347 K352 I353F296-I350 HydrophobicContact CB-CG2 4.45Å; F296-I350 HydrophobicContact CD1-CG2 3.96Å; F296-I350 HydrophobicContact CD2-CB 4.35Å; F296-I350 HydrophobicContact CD2-CD1 3.94Å; F296-I350 HydrophobicContact CD2-CG1 3.9Å; F296-I350 HydrophobicContact CD2-CG2 3.62Å; F296-I350 HydrophobicContact CE1-CG2 4.07Å; F296-I350 HydrophobicContact CE2-CB 4.21Å; F296-I350 HydrophobicContact CE2-CD1 4.33Å; F296-I350 HydrophobicContact CE2-CG1 3.79Å; F296-I350 HydrophobicContact CE2-CG2 3.76Å; F296-I350 HydrophobicContact CG-CG2 3.74Å; F296-I350 HydrophobicContact CZ-CG2 3.99Å; F296-I350 WeakPolarHBondContact O-CG2 3.3Å; L299-I350 HydrophobicContact CB-CB 4.45Å; L299-I350 HydrophobicContact CB-CG2 3.74Å; L299-I350 HydrophobicContact CD1-CD1 3.98Å; L299-I350 HydrophobicContact CD1-CG2 4.33Å; A300-I350 HydrophobicContact CB-CG2 4.27Å; A300-I350 WeakPolarHBondContact CB-O 3.13Å; L335-I350 HydrophobicContact CD1-CD1 4.09Å; M339-I350 HydrophobicContact CE-CD1 4.05Å; M339-I350 HydrophobicContact CE-CG1 4.34Å; M339-I350 HydrophobicContact CG-CD1 3.63Å; M339-I350 HydrophobicContact CG-CG1 4.11Å; M339-I350 HydrophobicContact SD-CD1 3.86Å; T344-I350 HydrophobicContact CG2-CG1 4.34Å; T346-I350 PolarHBondContact O-N 2.91Å; V347-I350 VanDerWaalsContact O-CB 3.31Å; V347-I350 WeakPolarHBondContact O-CB 3.24Å; V347-I350 PolarHBondContact O-N 2.89Å; V347-I350 VanDerWaalsContact O-N 3.09Å; I350-K352 PolarHBondContact O-N 3.19Å; I350-I353 WeakPolarHBondContact O-CB 3.48Å; I350-I353 PolarHBondContact O-N 2.93Å
351K98.4Very high96.7Very high57 Ų5777.4 Ų77.425%0.24836%0.359CS..THydrogen-bonded Turntrans-60.7-19.1-179.2-66.9-176-178.6175.80113.7D304 V347 E348 D349D304-K351 IonicContact OD1-NZ 3.77Å; D304-K351 PolarHBondContact OD1-NZ 2.88Å; V347-K351 PolarHBondContact O-N 3.06Å; E348-K351 IonicContact OE1-NZ 2.74Å; E348-K351 PolarHBondContact OE1-NZ 3.43Å; E348-K351 VanDerWaalsContact OE1-NZ 3.14Å; D349-K351 VanDerWaalsContact C-N 3.34Å; D349-K351 PolarHBondContact O-N 3.23Å
352K97.5Very high96.6Very high152 Ų15275.9 Ų75.966%0.66135%0.348SS*.THydrogen-bonded Turntrans-92.8-5.7177.4-64.4167.2-168.5163.10113.3E348 D349 I350E348-K352 WeakPolarHBondContact O-CD 3.32Å; E348-K352 WeakPolarHBondContact O-CE 3.3Å; E348-K352 WeakPolarHBondContact O-CG 3.44Å; D349-K352 PolarHBondContact O-N 3.1Å; I350-K352 PolarHBondContact O-N 3.19Å
353I97.7Very high96.5Very high24 Ų2479.7 Ų79.712%0.12337%0.365CS..  trans-74.5129.7-179.9-68.1-73.5000109.8F296 A300 T344 I350 L355F296-I353 HydrophobicContact CE1-CB 4.28Å; F296-I353 HydrophobicContact CE1-CG1 4.4Å; F296-I353 HydrophobicContact CE1-CG2 3.96Å; F296-I353 HydrophobicContact CZ-CB 4.29Å; F296-I353 HydrophobicContact CZ-CG1 3.9Å; F296-I353 HydrophobicContact CZ-CG2 4.23Å; A300-I353 HydrophobicContact CB-CB 4.25Å; T344-I353 HydrophobicContact CG2-CD1 3.82Å; T344-I353 HydrophobicContact CG2-CG1 3.62Å; I350-I353 WeakPolarHBondContact O-CB 3.48Å; I350-I353 PolarHBondContact O-N 2.93Å; I353-L355 HydrophobicContact CG2-CD2 4.22Å
354V97Very high96.4Very high134 Ų13484.1 Ų84.181%0.81239%0.385SS*.  trans-89.6111.5167.9-176.90000108.2
355L98.1Very high96.3Very high19 Ų1989 Ų8910%0.09941%0.407CS..PPolyproline II helixtrans-68148.7174.7-58.9173.7000110.7K52 I54 F267 F296 K297 A300 S301 I353K52-L355 HydrophobicContact CB-CB 3.93Å; K52-L355 HydrophobicContact CB-CD1 3.72Å; K52-L355 HydrophobicContact CB-CG 4.44Å; K52-L355 HydrophobicContact CG-CD1 4.3Å; I54-L355 HydrophobicContact CG1-CD2 4.01Å; F267-L355 HydrophobicContact CZ-CD1 4.31Å; F296-L355 HydrophobicContact CD1-CD2 4.45Å; F296-L355 HydrophobicContact CE1-CD2 4.26Å; K297-L355 HydrophobicContact CB-CD1 3.95Å; K297-L355 HydrophobicContact CG-CD1 3.98Å; K297-L355 HydrophobicContact CG-CD2 4.15Å; A300-L355 HydrophobicContact CB-CD1 4.14Å; A300-L355 HydrophobicContact CB-CD2 4.01Å; A300-L355 HydrophobicContact CB-CG 3.92Å; S301-L355 WeakPolarHBondContact OG-CD1 3.46Å; I353-L355 HydrophobicContact CG2-CD2 4.22Å
356R97.9Very high96.2Very high148 Ų14890.8 Ų90.856%0.55842%0.415SS*.EExtended strand (participates in β ladder)trans-88.6132.9175.8-176.2179.8-65168.84.8110.2K52 L53 I55 N358K52-R356 CarbonylContact C-O 3.58Å; K52-R356 WeakPolarHBondContact CA-O 3.48Å; L53-R356 HydrophobicContact CB-CB 4.41Å; L53-R356 PolarHBondContact N-O 3.1Å; L53-R356 PolarHBondContact O-N 3.35Å; I55-R356 HydrophobicContact CD1-CB 3.7Å; I55-R356 HydrophobicContact CD1-CG 4.35Å; I55-R356 VanDerWaalsContact CD1-NE 3.35Å; I55-R356 HydrophobicContact CG1-CB 4.01Å; R356-N358 PolarHBondContact O-N 3.33Å
357E97.3Very high96Very high104 Ų10493.4 Ų93.449%0.48642%0.422SS..EExtended strand (participates in β ladder)trans-56.6131.8168.3-59.4-52.7145.100111.6K52 R359K52-E357 WeakPolarHBondContact CD-OE2 3.25Å; K52-E357 WeakPolarHBondContact CE-OE1 3.38Å; K52-E357 WeakPolarHBondContact CE-OE2 3.25Å; K52-E357 VanDerWaalsContact NZ-CD 3.29Å; K52-E357 IonicContact NZ-OE1 2.69Å; K52-E357 PolarHBondContact NZ-OE1 3.39Å; K52-E357 IonicContact NZ-OE2 3.31Å; K52-E357 PolarHBondContact NZ-OE2 3.4Å; E357-R359 PolarHBondContact O-N 3.09Å
358N96.9Very high95.8Very high30 Ų3099.9 Ų99.916%0.1645%0.451CS..  trans-82.4101.5170.5-170.8-0.2000110.1N50 H51 L53 R356 Y360N50-N358 WeakPolarHBondContact O-CB 3.45Å; N50-N358 PolarHBondContact O-ND2 3.42Å; H51-N358 WeakPolarHBondContact O-CB 3.35Å; H51-N358 PolarHBondContact O-N 2.95Å; L53-N358 HydrophobicContact CD1-CB 4.03Å; L53-N358 HydrophobicContact CD2-CB 4.04Å; L53-N358 HydrophobicContact CG-CB 3.82Å; R356-N358 PolarHBondContact O-N 3.33Å; N358-Y360 PolarHBondContact O-N 2.84Å; N358-Y360 WeakPolarHBondContact OD1-CB 3.21Å; N358-Y360 WeakPolarHBondContact OD1-CD2 3.39Å; N358-Y360 PolarHBondContact OD1-N 2.77Å; N358-Y360 VanDerWaalsContact OD1-N 3.13Å
359R92.4Very high95.6Very high227 Ų227100.8 Ų100.886%0.85745%0.454SS*.THydrogen-bonded Turntrans-77.23179.5-60.8-175.6179-178.6-1.7114.5E357E357-R359 PolarHBondContact O-N 3.09Å
360Y88Confident95.3Very high215 Ų215105.3 Ų105.384%0.84347%0.471SS*.THydrogen-bonded Turntrans-101.45-178.1-60.7-76.1000113.6N358N358-Y360 PolarHBondContact O-N 2.84Å; N358-Y360 WeakPolarHBondContact OD1-CB 3.21Å; N358-Y360 WeakPolarHBondContact OD1-CD2 3.39Å; N358-Y360 PolarHBondContact OD1-N 2.77Å; N358-Y360 VanDerWaalsContact OD1-N 3.13Å
361L83.6Confident95Very high154 Ų154114.9 Ų114.981%0.80651%0.514SS*.  trans-110.20173.9-69.8173.8000111N50N50-L361 HydrophobicContact CB-CD1 3.64Å; N50-L361 WeakPolarHBondContact O-CD1 3.44Å

Retrieved 361 of 361 residues in 299.6 ms (Link to these results)

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