A0A077ZC64_TRITR Loading...

LamB YcsF and AHS2 and AHS1 and NIF3 domain conta ining protein

AlphaFold DB , UniProt , Accession A0A077ZC64, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 971 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
1M88.2Confident94.7Very high66 Ų6653.5 Ų53.533%0.32527%0.265SS..  0166.4070.1-163.5-56.200110.1E5 L6 L9 V35 T234 L236M1-E5 HydrophobicContact CE-CB 4.12Å; M1-L6 HydrophobicContact CE-CB 4.15Å; M1-L6 HydrophobicContact CE-CD1 4.48Å; M1-L6 HydrophobicContact CG-CB 4.15Å; M1-L6 HydrophobicContact SD-CB 3.85Å; M1-L6 HydrophobicContact SD-CD1 3.8Å; M1-L6 HydrophobicContact SD-CG 4.34Å; M1-L9 HydrophobicContact CE-CD2 4Å; M1-V35 PolarHBondContact N-O 2.79Å; M1-V35 PolarHBondContact O-N 2.96Å; M1-T234 HydrophobicContact SD-CG2 4.39Å; M1-L236 HydrophobicContact CG-CD2 4.42Å; M1-L236 HydrophobicContact SD-CD1 3.78Å; M1-L236 HydrophobicContact SD-CD2 4.43Å; M1-L236 HydrophobicContact SD-CG 4.28Å
2K93.5Very high94.7Very high88 Ų8859.6 Ų59.638%0.38329%0.292SS..BIsolated β-bridgetrans-72.6151.9173.5-66-168.2175.4-142.40111.8T4 E5 L6 E33K2-T4 VanDerWaalsContact C-N 3.3Å; K2-T4 PolarHBondContact O-N 3.47Å; K2-E5 HydrophobicContact CB-CB 4.25Å; K2-E5 HydrophobicContact CB-CG 3.92Å; K2-E5 PolarHBondContact N-OE2 2.81Å; K2-E5 WeakPolarHBondContact O-CB 3.31Å; K2-E5 PolarHBondContact O-N 2.82Å; K2-L6 PolarHBondContact O-N 2.82Å; K2-E33 CarbonylContact C-O 3.58Å; K2-E33 VanDerWaalsContact CA-O 3.29Å; K2-E33 WeakPolarHBondContact CA-O 3.4Å; K2-E33 WeakPolarHBondContact CE-OE1 3.36Å; K2-E33 IonicContact NZ-OE1 2.74Å; K2-E33 PolarHBondContact NZ-OE1 2.89Å
3N95.1Very high94.9Very high4 Ų459 Ų592%0.02129%0.287CS..Hα-helixtrans-59.8-37178.867.1-10.3000112.8E7 E33 V35 N92 Y94N3-E7 PolarHBondContact O-N 3.01Å; N3-E33 PolarHBondContact N-O 2.89Å; N3-V35 HydrophobicContact CB-CG2 4.14Å; N3-N92 PolarHBondContact ND2-OD1 2.98Å; N3-Y94 VanDerWaalsContact C-OH 3.28Å; N3-Y94 WeakPolarHBondContact CA-OH 3.18Å; N3-Y94 VanDerWaalsContact CB-OH 3.22Å; N3-Y94 WeakPolarHBondContact CB-OH 3.35Å; N3-Y94 PolarHBondContact O-OH 2.97Å
4T95Very high94.9Very high77 Ų7755 Ų5547%0.47227%0.268SS..Hα-helixtrans-73.6-33.8175.850.70000113.1K2 E7 Q8K2-T4 VanDerWaalsContact C-N 3.3Å; K2-T4 PolarHBondContact O-N 3.47Å; T4-E7 PolarHBondContact O-N 2.87Å; T4-Q8 WeakPolarHBondContact O-CB 3.42Å; T4-Q8 PolarHBondContact O-N 3.48Å
5E94.4Very high94.8Very high95 Ų9558.2 Ų58.244%0.44429%0.286SS..Hα-helixtrans-65.9-40.5174.1-69.3167.3176.100110.9M1 K2 Q8 L9M1-E5 HydrophobicContact CE-CB 4.12Å; K2-E5 HydrophobicContact CB-CB 4.25Å; K2-E5 HydrophobicContact CB-CG 3.92Å; K2-E5 PolarHBondContact N-OE2 2.81Å; K2-E5 WeakPolarHBondContact O-CB 3.31Å; K2-E5 PolarHBondContact O-N 2.82Å; E5-Q8 PolarHBondContact O-N 3.1Å; E5-L9 VanDerWaalsContact O-CB 3.28Å; E5-L9 WeakPolarHBondContact O-CB 3.31Å; E5-L9 PolarHBondContact O-N 3.27Å
6L95.4Very high94.6Very high0 Ų055.1 Ų55.10%027%0.272CS..Hα-helixtrans-62.9-44.2175.2178.559.5000111.5M1 K2 L9 I10 V35 I61 Y94 L230 L236M1-L6 HydrophobicContact CE-CB 4.15Å; M1-L6 HydrophobicContact CE-CD1 4.48Å; M1-L6 HydrophobicContact CG-CB 4.15Å; M1-L6 HydrophobicContact SD-CB 3.85Å; M1-L6 HydrophobicContact SD-CD1 3.8Å; M1-L6 HydrophobicContact SD-CG 4.34Å; K2-L6 PolarHBondContact O-N 2.82Å; L6-L9 PolarHBondContact O-N 2.77Å; L6-I10 HydrophobicContact CD1-CD1 3.76Å; L6-I10 HydrophobicContact CD1-CG1 4.3Å; L6-I10 HydrophobicContact CG-CD1 4.11Å; L6-I10 WeakPolarHBondContact O-CG1 3.46Å; L6-I10 PolarHBondContact O-N 2.84Å; L6-I10 VanDerWaalsContact O-N 3.13Å; L6-V35 HydrophobicContact CD2-CB 4.45Å; L6-V35 HydrophobicContact CD2-CG1 4.06Å; L6-V35 HydrophobicContact CD2-CG2 4.43Å; L6-I61 HydrophobicContact CD2-CD1 4.42Å; L6-Y94 HydrophobicContact CD2-CE2 4.06Å; L6-L230 HydrophobicContact CD1-CD2 3.9Å; L6-L236 HydrophobicContact CD1-CD1 4.04Å
7E96.5Very high94.3Very high47 Ų4758.1 Ų58.122%0.2231%0.308CS..Hα-helixtrans-59.4-49.4175.4-177.1173.2-151.200111.8N3 T4 L9 I10 N11 G26 L27 Y94 W96N3-E7 PolarHBondContact O-N 3.01Å; T4-E7 PolarHBondContact O-N 2.87Å; E7-L9 PolarHBondContact O-N 2.73Å; E7-I10 PolarHBondContact O-N 2.65Å; E7-N11 WeakPolarHBondContact CG-ND2 3.38Å; E7-N11 VanDerWaalsContact O-CB 3.27Å; E7-N11 WeakPolarHBondContact O-CB 3.34Å; E7-N11 VanDerWaalsContact O-CG 3.23Å; E7-N11 PolarHBondContact O-N 2.75Å; E7-N11 PolarHBondContact O-ND2 3.5Å; E7-G26 WeakPolarHBondContact OE1-CA 3.17Å; E7-L27 PolarHBondContact OE1-N 3.49Å; E7-Y94 HydrophobicContact CB-CD1 4.48Å; E7-Y94 HydrophobicContact CB-CE1 3.95Å; E7-W96 HydrophobicContact CG-CZ2 4.43Å
8Q95.5Very high94Very high115 Ų11558.8 Ų58.854%0.53732%0.324SS..Hα-helixtrans-61.3-45.4-179.6-176.2176.4-8.900111.3T4 E5 I10 N11 E12T4-Q8 WeakPolarHBondContact O-CB 3.42Å; T4-Q8 PolarHBondContact O-N 3.48Å; E5-Q8 PolarHBondContact O-N 3.1Å; Q8-I10 PolarHBondContact O-N 2.72Å; Q8-N11 PolarHBondContact O-N 3.41Å; Q8-E12 HydrophobicContact CG-CG 4.46Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.32Å; Q8-E12 PolarHBondContact NE2-OE1 3Å; Q8-E12 WeakPolarHBondContact O-CB 3.49Å; Q8-E12 WeakPolarHBondContact O-CG 3.43Å; Q8-E12 PolarHBondContact O-N 2.91Å
9L95.5Very high93.8Very high50 Ų5058.4 Ų58.426%0.26232%0.32SS..Hα-helixtrans-57.2-46.7178.717864.6000112M1 E5 L6 E7 K13 W229 L230 T234M1-L9 HydrophobicContact CE-CD2 4Å; E5-L9 VanDerWaalsContact O-CB 3.28Å; E5-L9 WeakPolarHBondContact O-CB 3.31Å; E5-L9 PolarHBondContact O-N 3.27Å; L6-L9 PolarHBondContact O-N 2.77Å; E7-L9 PolarHBondContact O-N 2.73Å; L9-K13 PolarHBondContact O-N 2.87Å; L9-W229 HydrophobicContact CD1-CH2 3.8Å; L9-W229 HydrophobicContact CD2-CH2 4.25Å; L9-W229 HydrophobicContact CD2-CZ3 4.39Å; L9-W229 HydrophobicContact CG-CH2 3.75Å; L9-W229 HydrophobicContact CG-CZ3 4.14Å; L9-L230 HydrophobicContact CD2-CD2 4.36Å; L9-T234 HydrophobicContact CD2-CG2 3.69Å
10I96.2Very high93.5Very high0 Ų061.4 Ų61.40%035%0.345CS..Hα-helixtrans-72.1-39.2179.5-63.3169000110.8L6 E7 Q8 E12 K13 L14 I61 W96 L226 L230L6-I10 HydrophobicContact CD1-CD1 3.76Å; L6-I10 HydrophobicContact CD1-CG1 4.3Å; L6-I10 HydrophobicContact CG-CD1 4.11Å; L6-I10 WeakPolarHBondContact O-CG1 3.46Å; L6-I10 PolarHBondContact O-N 2.84Å; L6-I10 VanDerWaalsContact O-N 3.13Å; E7-I10 PolarHBondContact O-N 2.65Å; Q8-I10 PolarHBondContact O-N 2.72Å; I10-E12 VanDerWaalsContact C-N 3.3Å; I10-E12 PolarHBondContact O-N 3.16Å; I10-K13 PolarHBondContact O-N 2.91Å; I10-L14 HydrophobicContact CG2-CD1 3.63Å; I10-L14 HydrophobicContact CG2-CG 4.01Å; I10-L14 WeakPolarHBondContact O-CB 3.45Å; I10-L14 WeakPolarHBondContact O-CG 3.1Å; I10-L14 PolarHBondContact O-N 2.86Å; I10-I61 HydrophobicContact CD1-CD1 3.97Å; I10-W96 HydrophobicContact CB-CH2 3.68Å; I10-W96 HydrophobicContact CB-CZ2 3.63Å; I10-W96 HydrophobicContact CB-CZ3 4.19Å; I10-W96 HydrophobicContact CD1-CE3 4.48Å; I10-W96 HydrophobicContact CD1-CH2 3.46Å; I10-W96 VanDerWaalsContact CD1-CH2 3.46Å; I10-W96 HydrophobicContact CD1-CZ2 4.33Å; I10-W96 HydrophobicContact CD1-CZ3 3.53Å; I10-W96 HydrophobicContact CG1-CH2 4.15Å; I10-W96 HydrophobicContact CG1-CZ3 4.45Å; I10-W96 HydrophobicContact CG2-CD2 3.65Å; I10-W96 VanDerWaalsContact CG2-CE2 3.5Å; I10-W96 HydrophobicContact CG2-CE3 3.77Å; I10-W96 HydrophobicContact CG2-CG 4.36Å; I10-W96 HydrophobicContact CG2-CH2 3.66Å; I10-W96 HydrophobicContact CG2-CZ2 3.52Å; I10-W96 HydrophobicContact CG2-CZ3 3.76Å; I10-L226 HydrophobicContact CG1-CD1 4.46Å; I10-L226 HydrophobicContact CG2-CD1 4.17Å; I10-L226 HydrophobicContact CG2-CD2 4.12Å; I10-L230 HydrophobicContact CD1-CD1 3.97Å; I10-L230 HydrophobicContact CD1-CD2 4.18Å; I10-L230 HydrophobicContact CG1-CD2 4.03Å
11N96.1Very high93.3Very high46 Ų4659.8 Ų59.825%0.24634%0.336CS..Hα-helixtrans-59.5-41176.3-81-20.2000112.1E7 Q8 N15 S16 W96E7-N11 WeakPolarHBondContact CG-ND2 3.38Å; E7-N11 VanDerWaalsContact O-CB 3.27Å; E7-N11 WeakPolarHBondContact O-CB 3.34Å; E7-N11 VanDerWaalsContact O-CG 3.23Å; E7-N11 PolarHBondContact O-N 2.75Å; E7-N11 PolarHBondContact O-ND2 3.5Å; Q8-N11 PolarHBondContact O-N 3.41Å; N11-N15 WeakPolarHBondContact O-CA 3.25Å; N11-N15 PolarHBondContact O-N 3.42Å; N11-S16 PolarHBondContact O-N 3.34Å; N11-W96 PolarHBondContact OD1-NE1 2.85Å
12E95.3Very high93.2Very high127 Ų12763.9 Ų63.959%0.59335%0.349SS*.Hα-helixtrans-66.7-48.2174.8-73.2174.3-169.200111.3Q8 I10 L14 N15Q8-E12 HydrophobicContact CG-CG 4.46Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.32Å; Q8-E12 PolarHBondContact NE2-OE1 3Å; Q8-E12 WeakPolarHBondContact O-CB 3.49Å; Q8-E12 WeakPolarHBondContact O-CG 3.43Å; Q8-E12 PolarHBondContact O-N 2.91Å; I10-E12 VanDerWaalsContact C-N 3.3Å; I10-E12 PolarHBondContact O-N 3.16Å; E12-L14 PolarHBondContact O-N 3.18Å; E12-N15 PolarHBondContact O-N 3.35Å
13K96.2Very high93Very high52 Ų5260.2 Ų60.223%0.22634%0.335CS..Hα-helixtrans-60.7-44.6178.6176.559.1179.4175.70112.2L9 I10 N15 H103 E105 L106 W229L9-K13 PolarHBondContact O-N 2.87Å; I10-K13 PolarHBondContact O-N 2.91Å; K13-N15 VanDerWaalsContact C-N 3.29Å; K13-N15 PolarHBondContact O-N 2.78Å; K13-H103 PolarHBondContact O-CD2 3.39Å; K13-H103 VanDerWaalsContact O-CD2 3.23Å; K13-H103 PolarHBondContact O-NE2 3.25Å; K13-E105 IonicContact NZ-OE2 3.81Å; K13-E105 PolarHBondContact NZ-OE2 3.38Å; K13-L106 HydrophobicContact CD-CD1 4.22Å; K13-L106 HydrophobicContact CG-CD1 3.81Å; K13-W229 HydrophobicContact CB-CH2 3.6Å; K13-W229 HydrophobicContact CB-CZ2 3.87Å; K13-W229 HydrophobicContact CB-CZ3 4.03Å; K13-W229 HydrophobicContact CD-CD2 4.41Å; K13-W229 HydrophobicContact CD-CH2 4.45Å; K13-W229 HydrophobicContact CD-CZ2 3.85Å; K13-W229 HydrophobicContact CG-CD2 4.09Å; K13-W229 HydrophobicContact CG-CE3 4.2Å; K13-W229 HydrophobicContact CG-CH2 3.85Å; K13-W229 HydrophobicContact CG-CZ2 3.75Å; K13-W229 HydrophobicContact CG-CZ3 4.09Å
14L95.8Very high92.9Very high3 Ų363 Ų632%0.01635%0.353CS..THydrogen-bonded Turntrans-84.3-2.4-178.3-61.6-176.6000113.5I10 E12 S16 W96 P99 L100 H103 L106 L226I10-L14 HydrophobicContact CG2-CD1 3.63Å; I10-L14 HydrophobicContact CG2-CG 4.01Å; I10-L14 WeakPolarHBondContact O-CB 3.45Å; I10-L14 WeakPolarHBondContact O-CG 3.1Å; I10-L14 PolarHBondContact O-N 2.86Å; E12-L14 PolarHBondContact O-N 3.18Å; L14-S16 PolarHBondContact O-N 2.97Å; L14-W96 HydrophobicContact CD1-CB 3.83Å; L14-W96 HydrophobicContact CD1-CD2 4.33Å; L14-W96 HydrophobicContact CD1-CG 3.78Å; L14-P99 HydrophobicContact CB-CB 4.06Å; L14-P99 HydrophobicContact CD1-CB 4.46Å; L14-L100 HydrophobicContact CD1-CD1 4.12Å; L14-L100 HydrophobicContact CD2-CD1 3.96Å; L14-H103 HydrophobicContact CD2-CB 4.09Å; L14-L106 HydrophobicContact CD2-CD1 4.31Å; L14-L226 HydrophobicContact CD1-CD2 4.38Å
15N93.1Very high92.8Very high103 Ų10361.2 Ų61.255%0.55134%0.341SS*.THydrogen-bonded Turntrans47.643.5-172-169.924.2000112.3N11 E12 K13 A17 A18N11-N15 WeakPolarHBondContact O-CA 3.25Å; N11-N15 PolarHBondContact O-N 3.42Å; E12-N15 PolarHBondContact O-N 3.35Å; K13-N15 VanDerWaalsContact C-N 3.29Å; K13-N15 PolarHBondContact O-N 2.78Å; N15-A17 PolarHBondContact O-N 3.08Å; N15-A17 VanDerWaalsContact O-N 3.15Å; N15-A18 PolarHBondContact O-N 2.8Å; N15-A18 VanDerWaalsContact O-N 3.08Å
16S91.9Very high92.9Very high8 Ų856.8 Ų56.86%0.05632%0.321CS..G310 helixtrans-62.4-29.5-166.5-650000113N11 L14 A18 I19 W96N11-S16 PolarHBondContact O-N 3.34Å; L14-S16 PolarHBondContact O-N 2.97Å; S16-A18 PolarHBondContact O-N 3.33Å; S16-I19 PolarHBondContact O-N 3.01Å; S16-W96 VanDerWaalsContact OG-CD1 3.24Å; S16-W96 PolarHBondContact OG-NE1 3.24Å
17A89.6Confident92.9Very high107 Ų10758.8 Ų58.888%0.88433%0.331SS*.G310 helixtrans-65.6-19.6179.400000113.9N15 I19N15-A17 PolarHBondContact O-N 3.08Å; N15-A17 VanDerWaalsContact O-N 3.15Å; A17-I19 VanDerWaalsContact C-N 3.34Å
18A89.3Confident92.9Very high71 Ų7157.8 Ų57.859%0.58733%0.327SS*.G310 helixtrans-83.9-7.7179.200000113.6N15 S16N15-A18 PolarHBondContact O-N 2.8Å; N15-A18 VanDerWaalsContact O-N 3.08Å; S16-A18 PolarHBondContact O-N 3.33Å
19I88.5Confident92.9Very high50 Ų5052.9 Ų52.926%0.25630%0.304SS..  trans-117.6120.4-169.8-63.2170000109.8S16 A17 L98 P99 A102S16-I19 PolarHBondContact O-N 3.01Å; A17-I19 VanDerWaalsContact C-N 3.34Å; I19-L98 HydrophobicContact CG2-CB 3.62Å; I19-L98 HydrophobicContact CG2-CD1 4.44Å; I19-P99 HydrophobicContact CB-CG 4.22Å; I19-P99 HydrophobicContact CD1-CB 4.12Å; I19-P99 HydrophobicContact CD1-CG 4.28Å; I19-P99 HydrophobicContact CG2-CG 4.29Å; I19-A102 HydrophobicContact CD1-CB 3.9Å
20S87.8Confident93Very high118 Ų11856.9 Ų56.983%0.82532%0.322SS*.  trans-84.2125.7172.4-168.70000109.6L98S20-L98 WeakPolarHBondContact O-CD1 3.37Å
21D89.8Confident93Very high28 Ų2857.3 Ų57.315%0.1533%0.326CS..  trans-125.3164.7-170.9-155.8-29.3000112.1A23 N25 H97 L98 P99D21-A23 VanDerWaalsContact C-N 3.33Å; D21-A23 PolarHBondContact OD1-N 2.83Å; D21-N25 VanDerWaalsContact CB-ND2 3.27Å; D21-N25 WeakPolarHBondContact CB-ND2 3.39Å; D21-N25 PolarHBondContact OD2-ND2 3.45Å; D21-N25 PolarHBondContact OD2-OD1 3.33Å; D21-H97 IonicContact OD1-CE1 3.57Å; D21-H97 IonicContact OD1-CG 2.78Å; D21-H97 IonicContact OD1-ND1 3.63Å; D21-H97 PolarHBondContact OD1-ND1 2.86Å; D21-H97 WeakPolarHBondContact OD2-CB 3.27Å; D21-H97 IonicContact OD2-CG 3.82Å; D21-H97 IonicContact OD2-ND1 3.36Å; D21-L98 HydrophobicContact CB-CB 4.49Å; D21-L98 HydrophobicContact CB-CD1 4.28Å; D21-L98 HydrophobicContact CB-CG 4.42Å; D21-L98 WeakPolarHBondContact OD1-CG 3.36Å; D21-L98 WeakPolarHBondContact OD2-CB 3.49Å; D21-L98 PolarHBondContact OD2-N 2.83Å; D21-P99 WeakPolarHBondContact OD2-CD 3.22Å
22Y87.2Confident92.9Very high152 Ų15258.9 Ų58.960%0.59633%0.331SS*.SBendtrans-83.5-10.3173.9-51.9-79.3000112.5W68 K69 L98Y22-W68 CarbonylContact O-C 3.46Å; Y22-K69 WeakPolarHBondContact O-CB 3.45Å; Y22-K69 PolarHBondContact O-N 2.99Å; Y22-L98 HydrophobicContact CD2-CD1 4.22Å; Y22-L98 HydrophobicContact CE2-CD1 4.09Å
23A89Confident92.9Very high12 Ų1258.3 Ų58.310%0.09933%0.328CS..SBendtrans-128.3156.5176.300000111.1D21 N25 F67 W68D21-A23 VanDerWaalsContact C-N 3.33Å; D21-A23 PolarHBondContact OD1-N 2.83Å; A23-N25 PolarHBondContact O-N 2.88Å; A23-F67 WeakPolarHBondContact CA-O 3.44Å; A23-F67 WeakPolarHBondContact CB-O 3.47Å; A23-W68 HydrophobicContact CB-CD2 4.15Å; A23-W68 HydrophobicContact CB-CE3 3.87Å; A23-W68 HydrophobicContact CB-CH2 4.42Å; A23-W68 HydrophobicContact CB-CZ3 4.01Å
24P91.6Very high92.9Very high62 Ų6259.2 Ų59.240%0.40334%0.338SS..  trans-68.9122.4170.828.2-28.5000109.3Q28 F67P24-Q28 HydrophobicContact CG-CG 4.22Å; P24-Q28 PolarHBondContact O-NE2 2.81Å; P24-F67 WeakPolarHBondContact CD-O 3.39Å; P24-F67 HydrophobicContact CG-CB 3.89Å
25N94.2Very high92.8Very high40 Ų4059.1 Ų59.121%0.21434%0.337CS..  trans-83136.1171.6-71.7-56.5000109.7D21 A23 G95 W96 H97 P99D21-N25 VanDerWaalsContact CB-ND2 3.27Å; D21-N25 WeakPolarHBondContact CB-ND2 3.39Å; D21-N25 PolarHBondContact OD2-ND2 3.45Å; D21-N25 PolarHBondContact OD2-OD1 3.33Å; A23-N25 PolarHBondContact O-N 2.88Å; N25-G95 CarbonylContact C-O 3.6Å; N25-G95 VanDerWaalsContact CA-O 3.28Å; N25-G95 WeakPolarHBondContact CA-O 3.35Å; N25-W96 VanDerWaalsContact OD1-CA 3.3Å; N25-W96 WeakPolarHBondContact OD1-CA 3.49Å; N25-H97 PolarHBondContact OD1-N 2.84Å; N25-P99 HydrophobicContact CB-CG 4.37Å; N25-P99 WeakPolarHBondContact ND2-CD 3.3Å; N25-P99 WeakPolarHBondContact ND2-CG 3.3Å; N25-P99 WeakPolarHBondContact OD1-CD 3.42Å
26G95.6Very high92.7Very high1 Ų160.7 Ų60.71%0.0134%0.342CS..EExtended strand (participates in β ladder)trans107.4-152-17600000113.9E7 Q28 Y94 G95E7-G26 WeakPolarHBondContact OE1-CA 3.17Å; G26-Q28 PolarHBondContact O-N 3Å; G26-Y94 CarbonylContact O-C 3.55Å; G26-Y94 VanDerWaalsContact O-CA 3.3Å; G26-Y94 WeakPolarHBondContact O-CA 3.13Å; G26-G95 PolarHBondContact N-O 3.36Å; G26-G95 PolarHBondContact O-N 3.45Å
27L96.6Very high92.7Very high43 Ų4362.8 Ų62.823%0.22535%0.35CS..EExtended strand (participates in β ladder)trans-69121.7-178.5-176.365.7000110.4E7 V29 E30 N92 Y94E7-L27 PolarHBondContact OE1-N 3.49Å; L27-V29 WeakPolarHBondContact CD1-O 3.35Å; L27-E30 HydrophobicContact CD2-CB 4.24Å; L27-E30 HydrophobicContact CD2-CG 4.38Å; L27-N92 HydrophobicContact CD1-CB 3.94Å; L27-Y94 HydrophobicContact CB-CD1 3.86Å; L27-Y94 HydrophobicContact CB-CE1 3.73Å; L27-Y94 HydrophobicContact CD1-CD1 3.94Å; L27-Y94 HydrophobicContact CD1-CD2 4.45Å; L27-Y94 HydrophobicContact CD1-CE1 3.57Å; L27-Y94 HydrophobicContact CD1-CE2 4.12Å; L27-Y94 HydrophobicContact CD1-CG 4.37Å; L27-Y94 HydrophobicContact CG-CE1 4.17Å
28Q95.3Very high92.9Very high26 Ų2657.8 Ų57.812%0.12131%0.308CS..EExtended strand (participates in β ladder)trans-107.5-32.8-179.4-62.8-165.6-0.600113.2P24 G26 G65 F67 L93P24-Q28 HydrophobicContact CG-CG 4.22Å; P24-Q28 PolarHBondContact O-NE2 2.81Å; G26-Q28 PolarHBondContact O-N 3Å; Q28-G65 VanDerWaalsContact OE1-CA 3.29Å; Q28-F67 HydrophobicContact CB-CD2 4Å; Q28-F67 HydrophobicContact CB-CE2 4.07Å; Q28-F67 HydrophobicContact CG-CD2 4.44Å; Q28-F67 WeakPolarHBondContact O-CE2 3.43Å; Q28-L93 HydrophobicContact CB-CD2 4.45Å; Q28-L93 PolarHBondContact N-O 2.8Å
29V96.5Very high93.1Very high12 Ų1254.7 Ų54.77%0.07328%0.282CS..EExtended strand (participates in β ladder)trans-137.1120.3174.9-174.60000107.7L27 F67 L83 L86 L87 N92 L93L27-V29 WeakPolarHBondContact CD1-O 3.35Å; V29-F67 HydrophobicContact CG2-CE2 4.28Å; V29-L83 HydrophobicContact CG2-CD2 3.66Å; V29-L86 HydrophobicContact CB-CD1 4.32Å; V29-L86 HydrophobicContact CG1-CB 4.34Å; V29-L86 HydrophobicContact CG1-CD1 4.48Å; V29-L86 HydrophobicContact CG2-CD1 4.18Å; V29-L87 HydrophobicContact CG1-CD2 3.74Å; V29-L87 HydrophobicContact CG1-CG 4.21Å; V29-N92 CarbonylContact O-C 3.48Å; V29-N92 WeakPolarHBondContact O-CA 3.11Å; V29-L93 HydrophobicContact CB-CB 3.95Å; V29-L93 HydrophobicContact CG2-CB 4.21Å; V29-L93 HydrophobicContact CG2-CD2 4.16Å; V29-L93 PolarHBondContact N-O 3.01Å; V29-L93 PolarHBondContact O-N 3.18Å
30E96.9Very high93.4Very high133 Ų13354.2 Ų54.262%0.62128%0.281SS*.  trans-77.9138.1179.2-172.8173.3-155.500111.3L27L27-E30 HydrophobicContact CD2-CB 4.24Å; L27-E30 HydrophobicContact CD2-CG 4.38Å
31G96.4Very high93.6Very high9 Ų949.2 Ų49.29%0.09325%0.249CC..  trans-127.8-136.9170.500000110.4D90 N92G31-D90 WeakPolarHBondContact CA-O 3.11Å; G31-D90 VanDerWaalsContact CA-OD1 3.27Å; G31-D90 WeakPolarHBondContact CA-OD1 3.15Å; G31-N92 PolarHBondContact N-OD1 3.48Å
32K94.1Very high93.8Very high79 Ų7948.5 Ų48.534%0.34325%0.245SC..  trans-57143.8179.2-71.2175.7-161.5169.70113.1T34 D58 D90 N92K32-T34 VanDerWaalsContact C-N 3.33Å; K32-T34 PolarHBondContact O-N 2.85Å; K32-D58 WeakPolarHBondContact CD-OD1 3.46Å; K32-D58 IonicContact NZ-OD1 3.71Å; K32-D58 PolarHBondContact NZ-OD1 2.88Å; K32-D90 HydrophobicContact CG-CB 3.87Å; K32-D90 WeakPolarHBondContact CG-O 3.28Å; K32-D90 WeakPolarHBondContact CG-OD2 3.35Å; K32-D90 PolarHBondContact N-O 3.02Å; K32-D90 PolarHBondContact N-OD1 2.84Å; K32-N92 PolarHBondContact N-ND2 3.18Å; K32-N92 PolarHBondContact O-ND2 3.44Å
33E95.8Very high94.1Very high115 Ų11543.4 Ų43.454%0.53723%0.23SC..SBendtrans-64.2-36.3174.9-173-177.3174.800112.5K2 N3K2-E33 CarbonylContact C-O 3.58Å; K2-E33 VanDerWaalsContact CA-O 3.29Å; K2-E33 WeakPolarHBondContact CA-O 3.4Å; K2-E33 WeakPolarHBondContact CE-OE1 3.36Å; K2-E33 IonicContact NZ-OE1 2.74Å; K2-E33 PolarHBondContact NZ-OE1 2.89Å; N3-E33 PolarHBondContact N-O 2.89Å
34T95Very high94.4Very high72 Ų7242.8 Ų42.844%0.44223%0.225SC..BIsolated β-bridgetrans-105.7124.1-178-56.60000110.9K32 Q36K32-T34 VanDerWaalsContact C-N 3.33Å; K32-T34 PolarHBondContact O-N 2.85Å; T34-Q36 HydrophobicContact CG2-CG 4.42Å
35V94.1Very high94.5Very high0 Ų041.7 Ų41.70%022%0.218CC..  trans-104.7124.1177-177.20000109.2M1 N3 L6 I38 D58 A59 L236M1-V35 PolarHBondContact N-O 2.79Å; M1-V35 PolarHBondContact O-N 2.96Å; N3-V35 HydrophobicContact CB-CG2 4.14Å; L6-V35 HydrophobicContact CD2-CB 4.45Å; L6-V35 HydrophobicContact CD2-CG1 4.06Å; L6-V35 HydrophobicContact CD2-CG2 4.43Å; V35-I38 HydrophobicContact CG1-CG2 3.66Å; V35-D58 HydrophobicContact CB-CB 4.44Å; V35-D58 HydrophobicContact CG1-CB 4.22Å; V35-A59 HydrophobicContact CG1-CB 3.77Å; V35-A59 HydrophobicContact CG2-CB 4.18Å; V35-L236 HydrophobicContact CG1-CD2 4.12Å; V35-L236 VanDerWaalsContact O-CD2 3.3Å; V35-L236 WeakPolarHBondContact O-CD2 3.43Å
36Q91.9Very high94.6Very high136 Ų13642.2 Ų42.264%0.63622%0.22SC*.  trans-118.4-36172.5-62.9-176.60.300111.6T34 D58 L236 D237T34-Q36 HydrophobicContact CG2-CG 4.42Å; Q36-D58 PolarHBondContact N-OD2 2.81Å; Q36-L236 WeakPolarHBondContact O-CA 3.32Å; Q36-L236 WeakPolarHBondContact O-CD2 3.38Å; Q36-D237 PolarHBondContact O-N 2.87Å
37K92.5Very high94.4Very high53 Ų5345.5 Ų45.523%0.2325%0.247CC..EExtended strand (participates in β ladder)trans-121.6129.2-177.5-167.1170.4-168.8173.20111.7L55 D58 A59 D237K37-L55 WeakPolarHBondContact CD-O 3.27Å; K37-L55 VanDerWaalsContact CE-O 3.28Å; K37-L55 WeakPolarHBondContact CE-O 3.38Å; K37-L55 PolarHBondContact NZ-O 2.81Å; K37-D58 PolarHBondContact N-OD2 3.15Å; K37-D58 VanDerWaalsContact N-OD2 3.09Å; K37-D58 PolarHBondContact O-N 3.28Å; K37-A59 PolarHBondContact O-N 3.18Å; K37-D237 WeakPolarHBondContact CG-O 3.22Å
38I93.1Very high94.3Very high2 Ų244.7 Ų44.71%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-117.5146.2-178.765.2173.6000111.3V35 A59 I61 L230 L236V35-I38 HydrophobicContact CG1-CG2 3.66Å; I38-A59 WeakPolarHBondContact CA-O 3.41Å; I38-A59 HydrophobicContact CG2-CB 4.23Å; I38-I61 HydrophobicContact CD1-CD1 4.29Å; I38-L230 HydrophobicContact CD1-CB 4.26Å; I38-L230 HydrophobicContact CD1-CD1 3.89Å; I38-L236 HydrophobicContact CD1-CD1 4.33Å; I38-L236 HydrophobicContact CG2-CD1 3.94Å
39V93.1Very high94.3Very high6 Ų643.5 Ų43.54%0.03624%0.237CC..EExtended strand (participates in β ladder)trans-121.8135.4167.9167.30000108.6L48 A52 L55 A57 A59 V60 I61V39-L48 HydrophobicContact CG1-CD1 3.8Å; V39-A52 HydrophobicContact CB-CB 4.14Å; V39-A52 HydrophobicContact CG1-CB 4.23Å; V39-A52 HydrophobicContact CG2-CB 4.34Å; V39-L55 HydrophobicContact CG2-CB 4.46Å; V39-L55 HydrophobicContact CG2-CD1 3.89Å; V39-A57 HydrophobicContact CB-CB 4.21Å; V39-A57 HydrophobicContact CG2-CB 3.72Å; V39-A59 PolarHBondContact N-O 2.83Å; V39-V60 HydrophobicContact CB-CG2 4.44Å; V39-V60 CarbonylContact O-C 3.58Å; V39-V60 VanDerWaalsContact O-CA 3.23Å; V39-V60 WeakPolarHBondContact O-CA 3.11Å; V39-I61 PolarHBondContact O-N 2.98Å
40T94.6Very high94.2Very high40 Ų4046.9 Ų46.925%0.24526%0.255CS..EExtended strand (participates in β ladder)trans-115.8150-177.151.50000110.7I61 S227T40-I61 VanDerWaalsContact CA-O 3.3Å; T40-I61 WeakPolarHBondContact CA-O 3.47Å; T40-I61 HydrophobicContact CG2-CB 4.15Å; T40-S227 PolarHBondContact OG1-OG 2.76Å
41G93Very high93.9Very high13 Ų1344 Ų4413%0.13424%0.241CC..EExtended strand (participates in β ladder)trans-169.2163.6175.300000112.9I61 V62 H63 I223G41-I61 PolarHBondContact N-O 3.48Å; G41-I61 VanDerWaalsContact N-O 3.1Å; G41-V62 WeakPolarHBondContact O-CA 3.26Å; G41-V62 WeakPolarHBondContact O-CB 3.36Å; G41-V62 WeakPolarHBondContact O-CG1 3.4Å; G41-H63 PolarHBondContact O-N 3.42Å; G41-I223 WeakPolarHBondContact O-CG1 3.22Å
42V93.7Very high93.8Very high12 Ų1243.5 Ų43.57%0.07324%0.237CC..EExtended strand (participates in β ladder)trans-67.8-50.4-177.5-177.80000110.9H63 H64 E219 R220 I223V42-H63 HydrophobicContact CG1-CB 4.41Å; V42-H63 CarbonylContact O-C 3.48Å; V42-H63 WeakPolarHBondContact O-CA 3.27Å; V42-H63 WeakPolarHBondContact O-CB 3.34Å; V42-H63 PolarHBondContact O-N 2.87Å; V42-H64 PolarHBondContact O-N 3.27Å; V42-E219 HydrophobicContact CG1-CB 4.18Å; V42-R220 HydrophobicContact CG2-CB 4.31Å; V42-R220 HydrophobicContact CG2-CG 3.95Å; V42-I223 HydrophobicContact CG2-CG2 4.14Å
43T93.1Very high93.8Very high45 Ų4542.2 Ų42.228%0.27624%0.235SC..EExtended strand (participates in β ladder)trans-123140.7-178.1-57.90000110.1S45 L48 H64T43-S45 PolarHBondContact O-N 3.12Å; T43-L48 WeakPolarHBondContact O-CD2 3.42Å; T43-H64 HydrophobicContact CG2-CB 4.08Å; T43-H64 PolarHBondContact OG1-ND1 3.43Å; T43-H64 VanDerWaalsContact OG1-ND1 3.11Å
44A94.4Very high93.6Very high0 Ų044.4 Ų44.40%024%0.239CC..  trans-67.770.8172.600000111.3V62 H64 Y66 R82 L93A44-V62 HydrophobicContact CB-CG1 4.06Å; A44-V62 HydrophobicContact CB-CG2 4.01Å; A44-H64 PolarHBondContact N-O 3.28Å; A44-H64 VanDerWaalsContact N-O 3.15Å; A44-Y66 HydrophobicContact CB-CD1 4.12Å; A44-Y66 HydrophobicContact CB-CE1 3.33Å; A44-Y66 HydrophobicContact CB-CE2 4.32Å; A44-Y66 VanDerWaalsContact CB-CZ 3.4Å; A44-Y66 VanDerWaalsContact CB-OH 3.28Å; A44-Y66 WeakPolarHBondContact CB-OH 3.31Å; A44-Y66 WeakPolarHBondContact O-CE1 3.28Å; A44-Y66 PolarHBondContact O-OH 3.19Å; A44-R82 WeakPolarHBondContact O-CD 3.44Å; A44-R82 VanDerWaalsContact O-CZ 3.28Å; A44-R82 PolarHBondContact O-NE 3.45Å; A44-R82 PolarHBondContact O-NH1 2.9Å; A44-L93 HydrophobicContact CB-CD1 3.88Å; A44-L93 HydrophobicContact CB-CD2 4.3Å
45S94.4Very high93.4Very high38 Ų3842.8 Ų42.827%0.26623%0.227SC..  trans-84.2161.1-179.873.20000111T43 A47 L48 L49T43-S45 PolarHBondContact O-N 3.12Å; S45-A47 PolarHBondContact O-N 2.8Å; S45-L48 PolarHBondContact O-N 3.11Å; S45-L48 PolarHBondContact OG-N 3.1Å; S45-L48 VanDerWaalsContact OG-N 3.13Å; S45-L49 WeakPolarHBondContact O-CG 3.36Å; S45-L49 PolarHBondContact O-N 3.07Å
46Q95.7Very high93.3Very high51 Ų5145 Ų4524%0.23825%0.25CC..Hα-helixtrans-59-40.2174.2-172.666.454.700110.9L48 L49 D50 R82 T85Q46-L48 PolarHBondContact O-N 3.39Å; Q46-L49 PolarHBondContact O-N 3.03Å; Q46-D50 PolarHBondContact NE2-OD1 3.46Å; Q46-D50 WeakPolarHBondContact O-CB 3.49Å; Q46-D50 PolarHBondContact O-N 3Å; Q46-R82 HydrophobicContact CB-CG 4.43Å; Q46-T85 PolarHBondContact NE2-OG1 2.84Å
47A93.2Very high93.4Very high71 Ų7138.7 Ų38.759%0.58722%0.221SC*.Hα-helixtrans-61.5-41.3177.600000112.7S45 L49 D50 E51S45-A47 PolarHBondContact O-N 2.8Å; A47-L49 VanDerWaalsContact C-N 3.35Å; A47-D50 PolarHBondContact O-N 3.15Å; A47-E51 WeakPolarHBondContact O-CB 3.49Å; A47-E51 PolarHBondContact O-N 2.96Å; A47-E51 VanDerWaalsContact O-N 3.08Å
48L93.6Very high93.6Very high26 Ų2636.9 Ų36.914%0.13621%0.214CC..Hα-helixtrans-63.9-41.9175-176.868.1000111.3V39 T43 S45 Q46 E51 A52 V60 V62V39-L48 HydrophobicContact CG1-CD1 3.8Å; T43-L48 WeakPolarHBondContact O-CD2 3.42Å; S45-L48 PolarHBondContact O-N 3.11Å; S45-L48 PolarHBondContact OG-N 3.1Å; S45-L48 VanDerWaalsContact OG-N 3.13Å; Q46-L48 PolarHBondContact O-N 3.39Å; L48-E51 PolarHBondContact O-N 2.94Å; L48-A52 WeakPolarHBondContact O-CB 3.26Å; L48-A52 PolarHBondContact O-N 3.39Å; L48-V60 HydrophobicContact CD2-CG1 3.85Å; L48-V60 HydrophobicContact CG-CG1 4.34Å; L48-V62 HydrophobicContact CD2-CG1 3.59Å
49L95.6Very high93.7Very high1 Ų136.8 Ų36.81%0.00521%0.213CC..Hα-helixtrans-67.7-40.5178.8-65.1-172.6000112.6S45 Q46 A47 E51 A52 V53 V60 Y66 R82 T85 L86S45-L49 WeakPolarHBondContact O-CG 3.36Å; S45-L49 PolarHBondContact O-N 3.07Å; Q46-L49 PolarHBondContact O-N 3.03Å; A47-L49 VanDerWaalsContact C-N 3.35Å; L49-E51 VanDerWaalsContact C-N 3.28Å; L49-E51 PolarHBondContact O-N 2.84Å; L49-A52 PolarHBondContact O-N 3.01Å; L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 2.7Å; L49-V60 HydrophobicContact CD2-CG1 4.37Å; L49-V60 HydrophobicContact CD2-CG2 4.23Å; L49-Y66 VanDerWaalsContact CD1-OH 3.28Å; L49-Y66 WeakPolarHBondContact CD1-OH 3.43Å; L49-R82 HydrophobicContact CD1-CB 3.8Å; L49-R82 HydrophobicContact CD1-CG 4.15Å; L49-R82 VanDerWaalsContact CD1-O 3.28Å; L49-R82 WeakPolarHBondContact CD1-O 3.24Å; L49-T85 HydrophobicContact CB-CG2 3.78Å; L49-T85 HydrophobicContact CD1-CG2 4.47Å; L49-L86 HydrophobicContact CD1-CD1 4.21Å; L49-L86 HydrophobicContact CD1-CD2 4.47Å; L49-L86 HydrophobicContact CD1-CG 3.9Å; L49-L86 HydrophobicContact CD2-CD1 4.32Å; L49-L86 HydrophobicContact CD2-CD2 3.51Å; L49-L86 HydrophobicContact CD2-CG 3.87Å
50D94.9Very high93.9Very high82 Ų8236.5 Ų36.544%0.43921%0.211SC..Hα-helixtrans-63.5-38.5177.2-63.7-19.1000110.4Q46 A47 V53 R54Q46-D50 PolarHBondContact NE2-OD1 3.46Å; Q46-D50 WeakPolarHBondContact O-CB 3.49Å; Q46-D50 PolarHBondContact O-N 3Å; A47-D50 PolarHBondContact O-N 3.15Å; D50-V53 PolarHBondContact O-N 3.43Å; D50-R54 PolarHBondContact O-N 2.87Å
51E90.7Very high94Very high72 Ų7234.6 Ų34.634%0.33620%0.2SC..Hα-helixtrans-68.3-39.6174.2-176.360.6-172.900112.6A47 L48 L49 V53 R54 L55A47-E51 WeakPolarHBondContact O-CB 3.49Å; A47-E51 PolarHBondContact O-N 2.96Å; A47-E51 VanDerWaalsContact O-N 3.08Å; L48-E51 PolarHBondContact O-N 2.94Å; L49-E51 VanDerWaalsContact C-N 3.28Å; L49-E51 PolarHBondContact O-N 2.84Å; E51-V53 VanDerWaalsContact C-N 3.31Å; E51-V53 PolarHBondContact O-N 3.14Å; E51-R54 WeakPolarHBondContact O-CB 3.44Å; E51-R54 PolarHBondContact O-N 3.1Å; E51-R54 IonicContact OE1-CZ 2.84Å; E51-R54 IonicContact OE1-NE 3.91Å; E51-R54 PolarHBondContact OE1-NE 3.14Å; E51-R54 IonicContact OE1-NH2 3.69Å; E51-R54 PolarHBondContact OE1-NH2 3.01Å; E51-R54 IonicContact OE2-CZ 3.81Å; E51-R54 IonicContact OE2-NE 3.49Å; E51-R54 PolarHBondContact OE2-NE 2.87Å; E51-R54 IonicContact OE2-NH2 3.78Å; E51-L55 HydrophobicContact CG-CD1 4.1Å; E51-L55 WeakPolarHBondContact O-CB 3.03Å; E51-L55 WeakPolarHBondContact O-CG 3.49Å; E51-L55 PolarHBondContact O-N 2.91Å
52A93.2Very high94.2Very high0 Ų034 Ų340%019%0.193CC..Hα-helixtrans-60.1-41.6174.100000111.9V39 L48 L49 L55 G56 A57 V60 I91V39-A52 HydrophobicContact CB-CB 4.14Å; V39-A52 HydrophobicContact CG1-CB 4.23Å; V39-A52 HydrophobicContact CG2-CB 4.34Å; L48-A52 WeakPolarHBondContact O-CB 3.26Å; L48-A52 PolarHBondContact O-N 3.39Å; L49-A52 PolarHBondContact O-N 3.01Å; A52-L55 PolarHBondContact O-N 2.86Å; A52-G56 PolarHBondContact O-N 2.93Å; A52-A57 HydrophobicContact CB-CB 4.02Å; A52-A57 WeakPolarHBondContact O-CB 3.39Å; A52-A57 PolarHBondContact O-N 3.1Å; A52-V60 HydrophobicContact CB-CG2 3.38Å; A52-I91 HydrophobicContact CB-CD1 4.4Å
53V94.9Very high94.3Very high51 Ų5133.4 Ų33.431%0.30919%0.19SC..Hα-helixtrans-63.1-46.5173.5172.60000111L49 D50 E51 L55 G56 T85 N89 I91L49-V53 WeakPolarHBondContact O-CG2 3.48Å; L49-V53 PolarHBondContact O-N 2.7Å; D50-V53 PolarHBondContact O-N 3.43Å; E51-V53 VanDerWaalsContact C-N 3.31Å; E51-V53 PolarHBondContact O-N 3.14Å; V53-L55 VanDerWaalsContact C-N 3.28Å; V53-L55 PolarHBondContact O-N 3.38Å; V53-G56 PolarHBondContact O-N 3.28Å; V53-T85 HydrophobicContact CG2-CG2 3.72Å; V53-N89 HydrophobicContact CG2-CB 3.99Å; V53-N89 WeakPolarHBondContact CG2-ND2 3.27Å; V53-I91 HydrophobicContact CG2-CD1 3.76Å
54R91.3Very high94.4Very high162 Ų16232.2 Ų32.261%0.61118%0.181SC*.Hα-helixtrans-59.1-38.8179.5-167.3-168.470.677-0.9112.5D50 E51 G56D50-R54 PolarHBondContact O-N 2.87Å; E51-R54 WeakPolarHBondContact O-CB 3.44Å; E51-R54 PolarHBondContact O-N 3.1Å; E51-R54 IonicContact OE1-CZ 2.84Å; E51-R54 IonicContact OE1-NE 3.91Å; E51-R54 PolarHBondContact OE1-NE 3.14Å; E51-R54 IonicContact OE1-NH2 3.69Å; E51-R54 PolarHBondContact OE1-NH2 3.01Å; E51-R54 IonicContact OE2-CZ 3.81Å; E51-R54 IonicContact OE2-NE 3.49Å; E51-R54 PolarHBondContact OE2-NE 2.87Å; E51-R54 IonicContact OE2-NH2 3.78Å; R54-G56 VanDerWaalsContact C-N 3.29Å
55L89.6Confident94.3Very high37 Ų3732.5 Ų32.519%0.19419%0.185CC..Hα-helixtrans-80.7-7.4178.7-69.7174.5000113.6K37 V39 E51 A52 V53K37-L55 WeakPolarHBondContact CD-O 3.27Å; K37-L55 VanDerWaalsContact CE-O 3.28Å; K37-L55 WeakPolarHBondContact CE-O 3.38Å; K37-L55 PolarHBondContact NZ-O 2.81Å; V39-L55 HydrophobicContact CG2-CB 4.46Å; V39-L55 HydrophobicContact CG2-CD1 3.89Å; E51-L55 HydrophobicContact CG-CD1 4.1Å; E51-L55 WeakPolarHBondContact O-CB 3.03Å; E51-L55 WeakPolarHBondContact O-CG 3.49Å; E51-L55 PolarHBondContact O-N 2.91Å; A52-L55 PolarHBondContact O-N 2.86Å; V53-L55 VanDerWaalsContact C-N 3.28Å; V53-L55 PolarHBondContact O-N 3.38Å
56G93Very high93.9Very high47 Ų4731.5 Ų31.549%0.48518%0.175SC..THydrogen-bonded Turntrans66.739.1-175.600000112.6A52 V53 R54A52-G56 PolarHBondContact O-N 2.93Å; V53-G56 PolarHBondContact O-N 3.28Å; R54-G56 VanDerWaalsContact C-N 3.29Å
57A93.6Very high93.6Very high3 Ų332.6 Ų32.63%0.02518%0.179CC..  trans-69.4144.4179.200000111.6V39 A52 I91V39-A57 HydrophobicContact CB-CB 4.21Å; V39-A57 HydrophobicContact CG2-CB 3.72Å; A52-A57 HydrophobicContact CB-CB 4.02Å; A52-A57 WeakPolarHBondContact O-CB 3.39Å; A52-A57 PolarHBondContact O-N 3.1Å; A57-I91 WeakPolarHBondContact O-CG1 3.36Å
58D96.5Very high93.4Very high15 Ų1533.1 Ų33.18%0.0817%0.166CC..SBendtrans-94.3-19.2172.8-55-54.4000111.9K32 V35 Q36 K37 N92K32-D58 WeakPolarHBondContact CD-OD1 3.46Å; K32-D58 IonicContact NZ-OD1 3.71Å; K32-D58 PolarHBondContact NZ-OD1 2.88Å; V35-D58 HydrophobicContact CB-CB 4.44Å; V35-D58 HydrophobicContact CG1-CB 4.22Å; Q36-D58 PolarHBondContact N-OD2 2.81Å; K37-D58 PolarHBondContact N-OD2 3.15Å; K37-D58 VanDerWaalsContact N-OD2 3.09Å; K37-D58 PolarHBondContact O-N 3.28Å; D58-N92 PolarHBondContact O-N 2.88Å; D58-N92 PolarHBondContact O-ND2 3.36Å; D58-N92 VanDerWaalsContact O-ND2 3.07Å
59A96.6Very high93.1Very high0 Ų040.6 Ų40.60%020%0.197CC..EExtended strand (participates in β ladder)trans-146.6147.7177.300000112.8V35 K37 I38 V39 N92 Y94V35-A59 HydrophobicContact CG1-CB 3.77Å; V35-A59 HydrophobicContact CG2-CB 4.18Å; K37-A59 PolarHBondContact O-N 3.18Å; I38-A59 WeakPolarHBondContact CA-O 3.41Å; I38-A59 HydrophobicContact CG2-CB 4.23Å; V39-A59 PolarHBondContact N-O 2.83Å; A59-N92 CarbonylContact C-O 3.56Å; A59-N92 VanDerWaalsContact CA-O 3.3Å; A59-N92 WeakPolarHBondContact CA-O 3.19Å; A59-N92 HydrophobicContact CB-CB 4.03Å; A59-Y94 HydrophobicContact CB-CD2 4.25Å; A59-Y94 HydrophobicContact CB-CE2 3.8Å
60V97.1Very high92.7Very high0 Ų044.6 Ų44.60%024%0.239CC..EExtended strand (participates in β ladder)trans-117.2124.9170.1173.80000108.6V39 L48 L49 A52 V62 I91 N92 L93 Y94V39-V60 HydrophobicContact CB-CG2 4.44Å; V39-V60 CarbonylContact O-C 3.58Å; V39-V60 VanDerWaalsContact O-CA 3.23Å; V39-V60 WeakPolarHBondContact O-CA 3.11Å; L48-V60 HydrophobicContact CD2-CG1 3.85Å; L48-V60 HydrophobicContact CG-CG1 4.34Å; L49-V60 HydrophobicContact CD2-CG1 4.37Å; L49-V60 HydrophobicContact CD2-CG2 4.23Å; A52-V60 HydrophobicContact CB-CG2 3.38Å; V60-V62 HydrophobicContact CG1-CG1 3.85Å; V60-I91 HydrophobicContact CB-CG2 4.43Å; V60-I91 HydrophobicContact CG2-CG2 3.8Å; V60-N92 PolarHBondContact N-O 3.01Å; V60-L93 HydrophobicContact CB-CD1 4.2Å; V60-L93 HydrophobicContact CG1-CD1 3.95Å; V60-L93 WeakPolarHBondContact O-CA 3.5Å; V60-Y94 PolarHBondContact O-N 3.04Å
61I96.8Very high92.3Very high0 Ų044.5 Ų44.50%024%0.236CC..EExtended strand (participates in β ladder)trans-113.4126.9178.5-54.7171.2000108.8L6 I10 I38 V39 T40 G41 Y94 W96 I223 L226 L230L6-I61 HydrophobicContact CD2-CD1 4.42Å; I10-I61 HydrophobicContact CD1-CD1 3.97Å; I38-I61 HydrophobicContact CD1-CD1 4.29Å; V39-I61 PolarHBondContact O-N 2.98Å; T40-I61 VanDerWaalsContact CA-O 3.3Å; T40-I61 WeakPolarHBondContact CA-O 3.47Å; T40-I61 HydrophobicContact CG2-CB 4.15Å; G41-I61 PolarHBondContact N-O 3.48Å; G41-I61 VanDerWaalsContact N-O 3.1Å; I61-Y94 HydrophobicContact CG1-CD2 4.09Å; I61-W96 HydrophobicContact CG2-CE3 3.82Å; I61-W96 HydrophobicContact CG2-CZ3 3.63Å; I61-I223 HydrophobicContact CG2-CD1 3.93Å; I61-L226 HydrophobicContact CG2-CD2 4.21Å; I61-L230 HydrophobicContact CD1-CD1 3.68Å
62V96.7Very high92.3Very high0 Ų044.2 Ų44.20%024%0.242CC..EExtended strand (participates in β ladder)trans-132.4160.9-176.9-61.30000114G41 A44 L48 V60 H64 L93 Y94 G95 W96G41-V62 WeakPolarHBondContact O-CA 3.26Å; G41-V62 WeakPolarHBondContact O-CB 3.36Å; G41-V62 WeakPolarHBondContact O-CG1 3.4Å; A44-V62 HydrophobicContact CB-CG1 4.06Å; A44-V62 HydrophobicContact CB-CG2 4.01Å; L48-V62 HydrophobicContact CD2-CG1 3.59Å; V60-V62 HydrophobicContact CG1-CG1 3.85Å; V62-H64 WeakPolarHBondContact CG2-O 3.45Å; V62-L93 HydrophobicContact CG1-CD1 4.46Å; V62-L93 HydrophobicContact CG2-CD1 4.02Å; V62-Y94 VanDerWaalsContact CG2-O 3.26Å; V62-Y94 WeakPolarHBondContact CG2-O 3.5Å; V62-Y94 PolarHBondContact N-O 3.4Å; V62-G95 WeakPolarHBondContact O-CA 3.26Å; V62-W96 PolarHBondContact O-N 3.34Å
63H96Very high92.1Very high0 Ų050 Ų500%028%0.279CS..EExtended strand (participates in β ladder)trans-77.3-50.4167.7-179.457000110.8G41 V42 W96 H97 L100 D101 N108 E219G41-H63 PolarHBondContact O-N 3.42Å; V42-H63 HydrophobicContact CG1-CB 4.41Å; V42-H63 CarbonylContact O-C 3.48Å; V42-H63 WeakPolarHBondContact O-CA 3.27Å; V42-H63 WeakPolarHBondContact O-CB 3.34Å; V42-H63 PolarHBondContact O-N 2.87Å; H63-W96 WeakPolarHBondContact CA-O 3.44Å; H63-W96 PolarHBondContact ND1-O 2.84Å; H63-W96 VanDerWaalsContact ND1-O 3.12Å; H63-W96 CarbonylContact O-C 3.53Å; H63-H97 AromaticContact CE1-CD2 3.63Å; H63-H97 PolarHBondContact CE1-O 3.33Å; H63-H97 VanDerWaalsContact CE1-O 3.25Å; H63-H97 PolarHBondContact ND1-O 2.9Å; H63-H97 AromaticContact NE2-CD2 3.59Å; H63-L100 HydrophobicContact CB-CD2 4.27Å; H63-D101 VanDerWaalsContact CE1-CG 3.47Å; H63-D101 IonicContact CE1-OD1 2.8Å; H63-D101 PolarHBondContact CE1-OD1 3.28Å; H63-D101 VanDerWaalsContact CE1-OD1 3.27Å; H63-D101 IonicContact CE1-OD2 3.36Å; H63-D101 PolarHBondContact CE1-OD2 2.77Å; H63-D101 VanDerWaalsContact CE1-OD2 3.3Å; H63-D101 IonicContact NE2-OD1 3.94Å; H63-D101 PolarHBondContact NE2-OD1 2.72Å; H63-D101 IonicContact NE2-OD2 3.33Å; H63-N108 PolarHBondContact CE1-ND2 3.36Å; H63-N108 PolarHBondContact NE2-ND2 3.45Å; H63-E219 IonicContact CD2-OE2 3.46Å; H63-E219 IonicContact NE2-OE1 3.53Å
64H94.4Very high92Very high20 Ų2051.2 Ų51.29%0.09329%0.286CS..EExtended strand (participates in β ladder)trans-99.2101.4175.6-58144.9000112.2V42 T43 A44 V62 W68 H97 H215 E219V42-H64 PolarHBondContact O-N 3.27Å; T43-H64 HydrophobicContact CG2-CB 4.08Å; T43-H64 PolarHBondContact OG1-ND1 3.43Å; T43-H64 VanDerWaalsContact OG1-ND1 3.11Å; A44-H64 PolarHBondContact N-O 3.28Å; A44-H64 VanDerWaalsContact N-O 3.15Å; V62-H64 WeakPolarHBondContact CG2-O 3.45Å; H64-W68 HydrophobicContact CB-CZ2 4.14Å; H64-W68 AromaticContact CD2-CH2 3.98Å; H64-W68 AromaticContact CD2-CZ2 3.94Å; H64-H97 AromaticContact CD2-CD2 3.7Å; H64-H97 AromaticContact NE2-CD2 3.92Å; H64-H215 AromaticContact CE1-CD2 3.98Å; H64-H215 AromaticContact CE1-NE2 3.44Å; H64-H215 PolarHBondContact CE1-NE2 3.46Å; H64-H215 AromaticContact NE2-NE2 3.81Å; H64-E219 IonicContact CE1-OE2 3.41Å; H64-E219 PolarHBondContact CE1-OE2 2.68Å; H64-E219 IonicContact NE2-OE1 3.87Å; H64-E219 IonicContact NE2-OE2 3.27Å; H64-E219 PolarHBondContact NE2-OE2 3.29Å
65G92Very high92.2Very high7 Ų747.9 Ų47.97%0.07228%0.28CS..  trans-74.5-162.8169.300000113.7Q28 W68Q28-G65 VanDerWaalsContact OE1-CA 3.29Å; G65-W68 PolarHBondContact O-NE1 3.3Å
66Y86.4Confident92.4Very high17 Ų1755.4 Ų55.47%0.06731%0.306CS..SBendtrans-99.3-35.9-175.5-68.7-30.2000115.7A44 L49 W68 R82 L83 L86 L93A44-Y66 HydrophobicContact CB-CD1 4.12Å; A44-Y66 HydrophobicContact CB-CE1 3.33Å; A44-Y66 HydrophobicContact CB-CE2 4.32Å; A44-Y66 VanDerWaalsContact CB-CZ 3.4Å; A44-Y66 VanDerWaalsContact CB-OH 3.28Å; A44-Y66 WeakPolarHBondContact CB-OH 3.31Å; A44-Y66 WeakPolarHBondContact O-CE1 3.28Å; A44-Y66 PolarHBondContact O-OH 3.19Å; L49-Y66 VanDerWaalsContact CD1-OH 3.28Å; L49-Y66 WeakPolarHBondContact CD1-OH 3.43Å; Y66-W68 PolarHBondContact O-N 3.42Å; Y66-R82 HydrophobicContact CE1-CB 4.39Å; Y66-R82 HydrophobicContact CE2-CB 4.05Å; Y66-R82 WeakPolarHBondContact OH-CB 3.21Å; Y66-R82 WeakPolarHBondContact OH-CD 3.39Å; Y66-L83 HydrophobicContact CD2-CD2 4.3Å; Y66-L86 HydrophobicContact CE2-CD1 3.74Å; Y66-L93 HydrophobicContact CD2-CD2 3.43Å; Y66-L93 VanDerWaalsContact CD2-CD2 3.43Å; Y66-L93 HydrophobicContact CE2-CD2 3.4Å; Y66-L93 HydrophobicContact CG-CD2 4.13Å
67F89.1Confident92.4Very high73 Ų7355.4 Ų55.432%0.3231%0.306SS..  trans-94.4106-167.5-58.4-78.1000110.2A23 P24 Q28 V29A23-F67 WeakPolarHBondContact CA-O 3.44Å; A23-F67 WeakPolarHBondContact CB-O 3.47Å; P24-F67 WeakPolarHBondContact CD-O 3.39Å; P24-F67 HydrophobicContact CG-CB 3.89Å; Q28-F67 HydrophobicContact CB-CD2 4Å; Q28-F67 HydrophobicContact CB-CE2 4.07Å; Q28-F67 HydrophobicContact CG-CD2 4.44Å; Q28-F67 WeakPolarHBondContact O-CE2 3.43Å; V29-F67 HydrophobicContact CG2-CE2 4.28Å
68W90.3Very high92.4Very high83 Ų8361.3 Ų61.331%0.31434%0.335SS..  trans-109144.6178.3-63.788.5000111.2Y22 A23 H64 G65 Y66 G70 E71 H97Y22-W68 CarbonylContact O-C 3.46Å; A23-W68 HydrophobicContact CB-CD2 4.15Å; A23-W68 HydrophobicContact CB-CE3 3.87Å; A23-W68 HydrophobicContact CB-CH2 4.42Å; A23-W68 HydrophobicContact CB-CZ3 4.01Å; H64-W68 HydrophobicContact CB-CZ2 4.14Å; H64-W68 AromaticContact CD2-CH2 3.98Å; H64-W68 AromaticContact CD2-CZ2 3.94Å; G65-W68 PolarHBondContact O-NE1 3.3Å; Y66-W68 PolarHBondContact O-N 3.42Å; W68-G70 PolarHBondContact O-N 3.01Å; W68-E71 HydrophobicContact CB-CB 4.38Å; W68-E71 VanDerWaalsContact O-CB 3.27Å; W68-E71 WeakPolarHBondContact O-CB 3.49Å; W68-E71 PolarHBondContact O-N 2.98Å; W68-H97 HydrophobicContact CH2-CB 4.32Å; W68-H97 AromaticContact CH2-CD2 3.74Å; W68-H97 AromaticContact CH2-CE1 3.77Å; W68-H97 AromaticContact CH2-CG 3.7Å; W68-H97 AromaticContact CH2-ND1 3.73Å; W68-H97 AromaticContact CH2-NE2 3.74Å; W68-H97 AromaticContact CZ3-CE1 3.68Å; W68-H97 AromaticContact CZ3-ND1 3.61Å
69K87.2Confident92.2Very high182 Ų18261.9 Ų61.979%0.79134%0.336SS*.THydrogen-bonded Turntrans-59.6120176.2-173176.8-179.3178.90109.8Y22Y22-K69 WeakPolarHBondContact O-CB 3.45Å; Y22-K69 PolarHBondContact O-N 2.99Å
70G87.3Confident92.1Very high85 Ų8568.2 Ų68.288%0.87636%0.36SS*.THydrogen-bonded Turntrans91.9-3.9-178.400000115.1W68W68-G70 PolarHBondContact O-N 3.01Å
71E86.4Confident92Very high80 Ų8071.9 Ų71.937%0.37438%0.38SS..  trans-68.2150.5173.7-160.6-150.8158.700111.4W68 K79W68-E71 HydrophobicContact CB-CB 4.38Å; W68-E71 VanDerWaalsContact O-CB 3.27Å; W68-E71 WeakPolarHBondContact O-CB 3.49Å; W68-E71 PolarHBondContact O-N 2.98Å; E71-K79 IonicContact OE1-NZ 2.64Å; E71-K79 PolarHBondContact OE1-NZ 3.26Å; E71-K79 IonicContact OE2-NZ 3.31Å; E71-K79 PolarHBondContact OE2-NZ 2.68Å
72S89.4Confident92Very high67 Ų6773.9 Ų73.947%0.46939%0.387SS..  trans-59.7131174.11660000111.4V74S72-V74 PolarHBondContact O-N 2.87Å; S72-V74 WeakPolarHBondContact OG-CB 3.5Å; S72-V74 PolarHBondContact OG-N 3.47Å
73P89.1Confident92Very high120 Ų12074.7 Ų74.778%0.77939%0.391SS*.  trans-73.3-9.5175.430.5-35.2000113I75P73-I75 PolarHBondContact O-N 2.61Å
74V94.1Very high92Very high77 Ų7780.9 Ų80.947%0.46742%0.418SS..  trans-75.6119.8-176.2-177.50000111.6S72 R76S72-V74 PolarHBondContact O-N 2.87Å; S72-V74 WeakPolarHBondContact OG-CB 3.5Å; S72-V74 PolarHBondContact OG-N 3.47Å; V74-R76 HydrophobicContact CG1-CG 3.93Å; V74-R76 PolarHBondContact O-N 2.98Å
75I93.7Very high92.1Very high92 Ų9281 Ų8147%0.47242%0.42SS..  trans-85.899.3178.3-59.1169.2000110.9P73 K79 R80 L83P73-I75 PolarHBondContact O-N 2.61Å; I75-K79 HydrophobicContact CG1-CD 4.49Å; I75-K79 HydrophobicContact CG2-CG 4.49Å; I75-R80 HydrophobicContact CG2-CB 3.97Å; I75-L83 HydrophobicContact CD1-CD1 3.78Å; I75-L83 HydrophobicContact CG1-CD1 4.05Å; I75-L83 HydrophobicContact CG2-CD1 3.87Å
76R93.9Very high92.4Very high195 Ų19580.7 Ų80.774%0.73642%0.417SS*.  trans-143.3168.4173.8-66.3178.8-169.9-175.43.4110.5V74 M78 K79 R80V74-R76 HydrophobicContact CG1-CG 3.93Å; V74-R76 PolarHBondContact O-N 2.98Å; R76-M78 PolarHBondContact O-N 2.84Å; R76-K79 PolarHBondContact O-N 3.28Å; R76-R80 PolarHBondContact O-N 2.97Å
77G94Very high92.9Very high48 Ų4885 Ų8550%0.49544%0.441SS..Hα-helixtrans55.7-127.5174.400000113.9K79 R80 N81G77-K79 VanDerWaalsContact C-N 3.35Å; G77-K79 PolarHBondContact O-N 2.65Å; G77-R80 PolarHBondContact O-N 3.46Å; G77-N81 PolarHBondContact O-N 2.8Å; G77-N81 VanDerWaalsContact O-N 3.16Å
78M92.5Very high93.3Very high126 Ų12685.2 Ų85.262%0.62146%0.456SS*.Hα-helixtrans-54.5-45.6-179.9-175.1-168.9-65.600112.7R76 R80 N81 R82R76-M78 PolarHBondContact O-N 2.84Å; M78-R80 VanDerWaalsContact C-N 3.34Å; M78-R80 PolarHBondContact O-N 3.23Å; M78-N81 PolarHBondContact O-N 2.77Å; M78-R82 WeakPolarHBondContact O-CG 3.44Å; M78-R82 PolarHBondContact O-N 3.02Å; M78-R82 VanDerWaalsContact O-N 3.1Å; M78-R82 PolarHBondContact SD-NH2 2.85Å
79K92.6Very high93.7Very high27 Ų2784.6 Ų84.612%0.11746%0.459CS..Hα-helixtrans-62.1-40.5-179.6-166.8167.7-168.9158.80111.7E71 I75 R76 G77 L83E71-K79 IonicContact OE1-NZ 2.64Å; E71-K79 PolarHBondContact OE1-NZ 3.26Å; E71-K79 IonicContact OE2-NZ 3.31Å; E71-K79 PolarHBondContact OE2-NZ 2.68Å; I75-K79 HydrophobicContact CG1-CD 4.49Å; I75-K79 HydrophobicContact CG2-CG 4.49Å; R76-K79 PolarHBondContact O-N 3.28Å; G77-K79 VanDerWaalsContact C-N 3.35Å; G77-K79 PolarHBondContact O-N 2.65Å; K79-L83 HydrophobicContact CG-CD1 4.06Å; K79-L83 WeakPolarHBondContact O-CB 3.31Å; K79-L83 VanDerWaalsContact O-CG 3.3Å; K79-L83 WeakPolarHBondContact O-CG 3.2Å; K79-L83 PolarHBondContact O-N 3.05Å; K79-L83 VanDerWaalsContact O-N 3.09Å
80R95.1Very high94.1Very high134 Ų13479.7 Ų79.751%0.50644%0.441SS..Hα-helixtrans-62.6-46.5175.3178.7-176.4170.7-91.85.9112I75 R76 G77 M78 K84I75-R80 HydrophobicContact CG2-CB 3.97Å; R76-R80 PolarHBondContact O-N 2.97Å; G77-R80 PolarHBondContact O-N 3.46Å; M78-R80 VanDerWaalsContact C-N 3.34Å; M78-R80 PolarHBondContact O-N 3.23Å; R80-K84 VanDerWaalsContact O-CB 3.24Å; R80-K84 WeakPolarHBondContact O-CB 3.17Å; R80-K84 PolarHBondContact O-N 2.92Å
81N95.9Very high94.6Very high76 Ų7675.8 Ų75.841%0.40640%0.4SS..Hα-helixtrans-66.7-44.1-175.1-68.6-11.8000111.4G77 M78 K84 T85G77-N81 PolarHBondContact O-N 2.8Å; G77-N81 VanDerWaalsContact O-N 3.16Å; M78-N81 PolarHBondContact O-N 2.77Å; N81-K84 WeakPolarHBondContact O-CB 3.47Å; N81-K84 PolarHBondContact O-N 3.42Å; N81-T85 PolarHBondContact O-N 3.28Å; N81-T85 PolarHBondContact O-OG1 2.79Å
82R95.9Very high95.2Very high43 Ų4372 Ų7216%0.16238%0.383CS..Hα-helixtrans-65.2-46.2178.4-70.4179.3-177.1-177.41.2112.8A44 Q46 L49 Y66 M78 K84 T85 L86A44-R82 WeakPolarHBondContact O-CD 3.44Å; A44-R82 VanDerWaalsContact O-CZ 3.28Å; A44-R82 PolarHBondContact O-NE 3.45Å; A44-R82 PolarHBondContact O-NH1 2.9Å; Q46-R82 HydrophobicContact CB-CG 4.43Å; L49-R82 HydrophobicContact CD1-CB 3.8Å; L49-R82 HydrophobicContact CD1-CG 4.15Å; L49-R82 VanDerWaalsContact CD1-O 3.28Å; L49-R82 WeakPolarHBondContact CD1-O 3.24Å; Y66-R82 HydrophobicContact CE1-CB 4.39Å; Y66-R82 HydrophobicContact CE2-CB 4.05Å; Y66-R82 WeakPolarHBondContact OH-CB 3.21Å; Y66-R82 WeakPolarHBondContact OH-CD 3.39Å; M78-R82 WeakPolarHBondContact O-CG 3.44Å; M78-R82 PolarHBondContact O-N 3.02Å; M78-R82 VanDerWaalsContact O-N 3.1Å; M78-R82 PolarHBondContact SD-NH2 2.85Å; R82-K84 VanDerWaalsContact C-N 3.31Å; R82-K84 PolarHBondContact O-N 2.82Å; R82-T85 PolarHBondContact O-N 2.85Å; R82-L86 PolarHBondContact O-N 3.11Å
83L95.9Very high95.6Very high16 Ų1668.8 Ų68.88%0.08436%0.36CS..Hα-helixtrans-62.4-38.6174.4-72.8173.3000111.9V29 Y66 I75 K79 T85 L86 L87V29-L83 HydrophobicContact CG2-CD2 3.66Å; Y66-L83 HydrophobicContact CD2-CD2 4.3Å; I75-L83 HydrophobicContact CD1-CD1 3.78Å; I75-L83 HydrophobicContact CG1-CD1 4.05Å; I75-L83 HydrophobicContact CG2-CD1 3.87Å; K79-L83 HydrophobicContact CG-CD1 4.06Å; K79-L83 WeakPolarHBondContact O-CB 3.31Å; K79-L83 VanDerWaalsContact O-CG 3.3Å; K79-L83 WeakPolarHBondContact O-CG 3.2Å; K79-L83 PolarHBondContact O-N 3.05Å; K79-L83 VanDerWaalsContact O-N 3.09Å; L83-T85 PolarHBondContact O-N 3.02Å; L83-L86 PolarHBondContact O-N 3.49Å; L83-L87 WeakPolarHBondContact O-CB 3.44Å; L83-L87 VanDerWaalsContact O-CG 3.3Å; L83-L87 WeakPolarHBondContact O-CG 3.43Å; L83-L87 PolarHBondContact O-N 3.32Å
84K97Very high96Very high130 Ų13063.1 Ų63.157%0.56532%0.323SS*.Hα-helixtrans-59.8-45.1174.8-178.9-172.5173.3-166.70111.1R80 N81 R82 A88R80-K84 VanDerWaalsContact O-CB 3.24Å; R80-K84 WeakPolarHBondContact O-CB 3.17Å; R80-K84 PolarHBondContact O-N 2.92Å; N81-K84 WeakPolarHBondContact O-CB 3.47Å; N81-K84 PolarHBondContact O-N 3.42Å; R82-K84 VanDerWaalsContact C-N 3.31Å; R82-K84 PolarHBondContact O-N 2.82Å; K84-A88 WeakPolarHBondContact O-CB 3.42Å; K84-A88 PolarHBondContact O-N 3.42Å
85T97.4Very high96.1Very high22 Ų2259.5 Ų59.514%0.13530%0.301CS..Hα-helixtrans-62.5-44.8-179.9-630000111.8Q46 L49 V53 N81 R82 L83 N89Q46-T85 PolarHBondContact NE2-OG1 2.84Å; L49-T85 HydrophobicContact CB-CG2 3.78Å; L49-T85 HydrophobicContact CD1-CG2 4.47Å; V53-T85 HydrophobicContact CG2-CG2 3.72Å; N81-T85 PolarHBondContact O-N 3.28Å; N81-T85 PolarHBondContact O-OG1 2.79Å; R82-T85 PolarHBondContact O-N 2.85Å; L83-T85 PolarHBondContact O-N 3.02Å; T85-N89 PolarHBondContact O-N 3.04Å; T85-N89 PolarHBondContact O-ND2 3.38Å
86L97.5Very high96.2Very high1 Ų155.1 Ų55.11%0.00528%0.279CS..Hα-helixtrans-62.9-55.7177.5-71.8164.9000111.8V29 L49 Y66 R82 L83 A88 N89 D90 I91 L93V29-L86 HydrophobicContact CB-CD1 4.32Å; V29-L86 HydrophobicContact CG1-CB 4.34Å; V29-L86 HydrophobicContact CG1-CD1 4.48Å; V29-L86 HydrophobicContact CG2-CD1 4.18Å; L49-L86 HydrophobicContact CD1-CD1 4.21Å; L49-L86 HydrophobicContact CD1-CD2 4.47Å; L49-L86 HydrophobicContact CD1-CG 3.9Å; L49-L86 HydrophobicContact CD2-CD1 4.32Å; L49-L86 HydrophobicContact CD2-CD2 3.51Å; L49-L86 HydrophobicContact CD2-CG 3.87Å; Y66-L86 HydrophobicContact CE2-CD1 3.74Å; R82-L86 PolarHBondContact O-N 3.11Å; L83-L86 PolarHBondContact O-N 3.49Å; L86-A88 PolarHBondContact O-N 2.87Å; L86-N89 PolarHBondContact O-N 2.84Å; L86-D90 PolarHBondContact O-N 3.14Å; L86-I91 HydrophobicContact CD2-CB 3.91Å; L86-I91 HydrophobicContact CD2-CG2 3.8Å; L86-I91 PolarHBondContact O-N 3.07Å; L86-I91 VanDerWaalsContact O-N 3.11Å; L86-L93 HydrophobicContact CD1-CB 3.81Å; L86-L93 HydrophobicContact CD1-CD2 3.87Å; L86-L93 HydrophobicContact CD1-CG 4.33Å; L86-L93 HydrophobicContact CD2-CB 4.19Å
87L96.9Very high96.3Very high109 Ų10946.9 Ų46.957%0.57125%0.249SC*.Hα-helixtrans-67.6-32.8-174.3-66.1171.1000112.9V29 L83 N89V29-L87 HydrophobicContact CG1-CD2 3.74Å; V29-L87 HydrophobicContact CG1-CG 4.21Å; L83-L87 WeakPolarHBondContact O-CB 3.44Å; L83-L87 VanDerWaalsContact O-CG 3.3Å; L83-L87 WeakPolarHBondContact O-CG 3.43Å; L83-L87 PolarHBondContact O-N 3.32Å; L87-N89 VanDerWaalsContact C-N 3.29Å; L87-N89 PolarHBondContact O-N 2.81Å
88A97.5Very high96.3Very high76 Ų7645.6 Ų45.663%0.62823%0.23SC*.Hα-helixtrans-74.9-18.8178.800000113.5K84 L86K84-A88 WeakPolarHBondContact O-CB 3.42Å; K84-A88 PolarHBondContact O-N 3.42Å; L86-A88 PolarHBondContact O-N 2.87Å
89N97.7Very high96.5Very high71 Ų7139.6 Ų39.638%0.3820%0.201SC..Hα-helixtrans-113.46.1-179.7-64.2-81.7000112.8V53 T85 L86 L87 I91V53-N89 HydrophobicContact CG2-CB 3.99Å; V53-N89 WeakPolarHBondContact CG2-ND2 3.27Å; T85-N89 PolarHBondContact O-N 3.04Å; T85-N89 PolarHBondContact O-ND2 3.38Å; L86-N89 PolarHBondContact O-N 2.84Å; L87-N89 VanDerWaalsContact C-N 3.29Å; L87-N89 PolarHBondContact O-N 2.81Å; N89-I91 VanDerWaalsContact C-N 3.31Å; N89-I91 HydrophobicContact CB-CD1 3.85Å; N89-I91 HydrophobicContact CB-CG1 3.84Å; N89-I91 PolarHBondContact O-N 3.27Å
90D97.3Very high96.6Very high78 Ų7838.3 Ų38.342%0.41720%0.195SC..THydrogen-bonded Turntrans57.840.9177.9-151.119.9000113G31 K32 L86G31-D90 WeakPolarHBondContact CA-O 3.11Å; G31-D90 VanDerWaalsContact CA-OD1 3.27Å; G31-D90 WeakPolarHBondContact CA-OD1 3.15Å; K32-D90 HydrophobicContact CG-CB 3.87Å; K32-D90 WeakPolarHBondContact CG-O 3.28Å; K32-D90 WeakPolarHBondContact CG-OD2 3.35Å; K32-D90 PolarHBondContact N-O 3.02Å; K32-D90 PolarHBondContact N-OD1 2.84Å; L86-D90 PolarHBondContact O-N 3.14Å
91I97.9Very high96.7Very high4 Ų432.3 Ų32.32%0.02117%0.174CC..  trans-99.1124.6-176.6-57.2-177.3000109.8A52 V53 A57 V60 L86 N89A52-I91 HydrophobicContact CB-CD1 4.4Å; V53-I91 HydrophobicContact CG2-CD1 3.76Å; A57-I91 WeakPolarHBondContact O-CG1 3.36Å; V60-I91 HydrophobicContact CB-CG2 4.43Å; V60-I91 HydrophobicContact CG2-CG2 3.8Å; L86-I91 HydrophobicContact CD2-CB 3.91Å; L86-I91 HydrophobicContact CD2-CG2 3.8Å; L86-I91 PolarHBondContact O-N 3.07Å; L86-I91 VanDerWaalsContact O-N 3.11Å; N89-I91 VanDerWaalsContact C-N 3.31Å; N89-I91 HydrophobicContact CB-CD1 3.85Å; N89-I91 HydrophobicContact CB-CG1 3.84Å; N89-I91 PolarHBondContact O-N 3.27Å
92N97.9Very high96.6Very high0 Ų030.5 Ų30.50%017%0.169CC..EExtended strand (participates in β ladder)trans-69.5136.7173.1-63-86.6000110.4N3 L27 V29 G31 K32 D58 A59 V60 Y94N3-N92 PolarHBondContact ND2-OD1 2.98Å; L27-N92 HydrophobicContact CD1-CB 3.94Å; V29-N92 CarbonylContact O-C 3.48Å; V29-N92 WeakPolarHBondContact O-CA 3.11Å; G31-N92 PolarHBondContact N-OD1 3.48Å; K32-N92 PolarHBondContact N-ND2 3.18Å; K32-N92 PolarHBondContact O-ND2 3.44Å; D58-N92 PolarHBondContact O-N 2.88Å; D58-N92 PolarHBondContact O-ND2 3.36Å; D58-N92 VanDerWaalsContact O-ND2 3.07Å; A59-N92 CarbonylContact C-O 3.56Å; A59-N92 VanDerWaalsContact CA-O 3.3Å; A59-N92 WeakPolarHBondContact CA-O 3.19Å; A59-N92 HydrophobicContact CB-CB 4.03Å; V60-N92 PolarHBondContact N-O 3.01Å; N92-Y94 HydrophobicContact CB-CD2 4.25Å; N92-Y94 HydrophobicContact CB-CE2 3.5Å
93L97.8Very high96.5Very high0 Ų029.6 Ų29.60%017%0.166CC..EExtended strand (participates in β ladder)trans-111.6123.2169.3177.270000110.1Q28 V29 A44 V60 V62 Y66 L86Q28-L93 HydrophobicContact CB-CD2 4.45Å; Q28-L93 PolarHBondContact N-O 2.8Å; V29-L93 HydrophobicContact CB-CB 3.95Å; V29-L93 HydrophobicContact CG2-CB 4.21Å; V29-L93 HydrophobicContact CG2-CD2 4.16Å; V29-L93 PolarHBondContact N-O 3.01Å; V29-L93 PolarHBondContact O-N 3.18Å; A44-L93 HydrophobicContact CB-CD1 3.88Å; A44-L93 HydrophobicContact CB-CD2 4.3Å; V60-L93 HydrophobicContact CB-CD1 4.2Å; V60-L93 HydrophobicContact CG1-CD1 3.95Å; V60-L93 WeakPolarHBondContact O-CA 3.5Å; V62-L93 HydrophobicContact CG1-CD1 4.46Å; V62-L93 HydrophobicContact CG2-CD1 4.02Å; Y66-L93 HydrophobicContact CD2-CD2 3.43Å; Y66-L93 VanDerWaalsContact CD2-CD2 3.43Å; Y66-L93 HydrophobicContact CE2-CD2 3.4Å; Y66-L93 HydrophobicContact CG-CD2 4.13Å; L86-L93 HydrophobicContact CD1-CB 3.81Å; L86-L93 HydrophobicContact CD1-CD2 3.87Å; L86-L93 HydrophobicContact CD1-CG 4.33Å; L86-L93 HydrophobicContact CD2-CB 4.19Å
94Y97.4Very high96.4Very high0 Ų034.3 Ų34.30%020%0.198CC..EExtended strand (participates in β ladder)trans-113.4144.4172.4-56.7-94.9000111.2N3 L6 E7 G26 L27 A59 V60 I61 V62 N92 W96N3-Y94 VanDerWaalsContact C-OH 3.28Å; N3-Y94 WeakPolarHBondContact CA-OH 3.18Å; N3-Y94 VanDerWaalsContact CB-OH 3.22Å; N3-Y94 WeakPolarHBondContact CB-OH 3.35Å; N3-Y94 PolarHBondContact O-OH 2.97Å; L6-Y94 HydrophobicContact CD2-CE2 4.06Å; E7-Y94 HydrophobicContact CB-CD1 4.48Å; E7-Y94 HydrophobicContact CB-CE1 3.95Å; G26-Y94 CarbonylContact O-C 3.55Å; G26-Y94 VanDerWaalsContact O-CA 3.3Å; G26-Y94 WeakPolarHBondContact O-CA 3.13Å; L27-Y94 HydrophobicContact CB-CD1 3.86Å; L27-Y94 HydrophobicContact CB-CE1 3.73Å; L27-Y94 HydrophobicContact CD1-CD1 3.94Å; L27-Y94 HydrophobicContact CD1-CD2 4.45Å; L27-Y94 HydrophobicContact CD1-CE1 3.57Å; L27-Y94 HydrophobicContact CD1-CE2 4.12Å; L27-Y94 HydrophobicContact CD1-CG 4.37Å; L27-Y94 HydrophobicContact CG-CE1 4.17Å; A59-Y94 HydrophobicContact CB-CD2 4.25Å; A59-Y94 HydrophobicContact CB-CE2 3.8Å; V60-Y94 PolarHBondContact O-N 3.04Å; I61-Y94 HydrophobicContact CG1-CD2 4.09Å; V62-Y94 VanDerWaalsContact CG2-O 3.26Å; V62-Y94 WeakPolarHBondContact CG2-O 3.5Å; V62-Y94 PolarHBondContact N-O 3.4Å; N92-Y94 HydrophobicContact CB-CD2 4.25Å; N92-Y94 HydrophobicContact CB-CE2 3.5Å; Y94-W96 AromaticContact CD1-CH2 3.69Å; Y94-W96 HydrophobicContact CD1-CH2 3.69Å; Y94-W96 HydrophobicContact CD1-CZ2 4.47Å; Y94-W96 HydrophobicContact CD1-CZ3 4.26Å; Y94-W96 AromaticContact CG-CH2 3.94Å; Y94-W96 HydrophobicContact CG-CH2 3.94Å; Y94-W96 HydrophobicContact CG-CZ3 4.03Å
95G96.3Very high96.3Very high1 Ų133.3 Ų33.31%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-131.8132.5174.700000111.9N25 G26 V62N25-G95 CarbonylContact C-O 3.6Å; N25-G95 VanDerWaalsContact CA-O 3.28Å; N25-G95 WeakPolarHBondContact CA-O 3.35Å; G26-G95 PolarHBondContact N-O 3.36Å; G26-G95 PolarHBondContact O-N 3.45Å; V62-G95 WeakPolarHBondContact O-CA 3.26Å
96W96.4Very high96.2Very high0 Ų032.7 Ų32.70%019%0.191CC..  trans-132.4108.2167.6-71-86.8000110.2E7 I10 N11 L14 S16 N25 I61 V62 H63 Y94 L100E7-W96 HydrophobicContact CG-CZ2 4.43Å; I10-W96 HydrophobicContact CB-CH2 3.68Å; I10-W96 HydrophobicContact CB-CZ2 3.63Å; I10-W96 HydrophobicContact CB-CZ3 4.19Å; I10-W96 HydrophobicContact CD1-CE3 4.48Å; I10-W96 HydrophobicContact CD1-CH2 3.46Å; I10-W96 VanDerWaalsContact CD1-CH2 3.46Å; I10-W96 HydrophobicContact CD1-CZ2 4.33Å; I10-W96 HydrophobicContact CD1-CZ3 3.53Å; I10-W96 HydrophobicContact CG1-CH2 4.15Å; I10-W96 HydrophobicContact CG1-CZ3 4.45Å; I10-W96 HydrophobicContact CG2-CD2 3.65Å; I10-W96 VanDerWaalsContact CG2-CE2 3.5Å; I10-W96 HydrophobicContact CG2-CE3 3.77Å; I10-W96 HydrophobicContact CG2-CG 4.36Å; I10-W96 HydrophobicContact CG2-CH2 3.66Å; I10-W96 HydrophobicContact CG2-CZ2 3.52Å; I10-W96 HydrophobicContact CG2-CZ3 3.76Å; N11-W96 PolarHBondContact OD1-NE1 2.85Å; L14-W96 HydrophobicContact CD1-CB 3.83Å; L14-W96 HydrophobicContact CD1-CD2 4.33Å; L14-W96 HydrophobicContact CD1-CG 3.78Å; S16-W96 VanDerWaalsContact OG-CD1 3.24Å; S16-W96 PolarHBondContact OG-NE1 3.24Å; N25-W96 VanDerWaalsContact OD1-CA 3.3Å; N25-W96 WeakPolarHBondContact OD1-CA 3.49Å; I61-W96 HydrophobicContact CG2-CE3 3.82Å; I61-W96 HydrophobicContact CG2-CZ3 3.63Å; V62-W96 PolarHBondContact O-N 3.34Å; H63-W96 WeakPolarHBondContact CA-O 3.44Å; H63-W96 PolarHBondContact ND1-O 2.84Å; H63-W96 VanDerWaalsContact ND1-O 3.12Å; H63-W96 CarbonylContact O-C 3.53Å; Y94-W96 AromaticContact CD1-CH2 3.69Å; Y94-W96 HydrophobicContact CD1-CH2 3.69Å; Y94-W96 HydrophobicContact CD1-CZ2 4.47Å; Y94-W96 HydrophobicContact CD1-CZ3 4.26Å; Y94-W96 AromaticContact CG-CH2 3.94Å; Y94-W96 HydrophobicContact CG-CH2 3.94Å; Y94-W96 HydrophobicContact CG-CZ3 4.03Å; W96-L100 HydrophobicContact CB-CB 4.36Å; W96-L100 VanDerWaalsContact O-CB 3.29Å; W96-L100 WeakPolarHBondContact O-CB 3.35Å
97H95.6Very high96.1Very high23 Ų2332.7 Ų32.711%0.10619%0.191CC..SBendtrans-93.1-95.1-175.7175.2-123.2000110.5D21 N25 H63 H64 W68 P99 L100 D101D21-H97 IonicContact OD1-CE1 3.57Å; D21-H97 IonicContact OD1-CG 2.78Å; D21-H97 IonicContact OD1-ND1 3.63Å; D21-H97 PolarHBondContact OD1-ND1 2.86Å; D21-H97 WeakPolarHBondContact OD2-CB 3.27Å; D21-H97 IonicContact OD2-CG 3.82Å; D21-H97 IonicContact OD2-ND1 3.36Å; N25-H97 PolarHBondContact OD1-N 2.84Å; H63-H97 AromaticContact CE1-CD2 3.63Å; H63-H97 PolarHBondContact CE1-O 3.33Å; H63-H97 VanDerWaalsContact CE1-O 3.25Å; H63-H97 PolarHBondContact ND1-O 2.9Å; H63-H97 AromaticContact NE2-CD2 3.59Å; H64-H97 AromaticContact CD2-CD2 3.7Å; H64-H97 AromaticContact NE2-CD2 3.92Å; W68-H97 HydrophobicContact CH2-CB 4.32Å; W68-H97 AromaticContact CH2-CD2 3.74Å; W68-H97 AromaticContact CH2-CE1 3.77Å; W68-H97 AromaticContact CH2-CG 3.7Å; W68-H97 AromaticContact CH2-ND1 3.73Å; W68-H97 AromaticContact CH2-NE2 3.74Å; W68-H97 AromaticContact CZ3-CE1 3.68Å; W68-H97 AromaticContact CZ3-ND1 3.61Å; H97-P99 VanDerWaalsContact C-CD 3.44Å; H97-P99 VanDerWaalsContact C-N 3.34Å; H97-L100 CarbonylContact O-C 3.59Å; H97-L100 WeakPolarHBondContact O-CA 3.43Å; H97-L100 WeakPolarHBondContact O-CB 3.49Å; H97-L100 PolarHBondContact O-N 3.25Å; H97-D101 IonicContact CD2-OD2 2.67Å; H97-D101 IonicContact NE2-OD2 3.41Å; H97-D101 PolarHBondContact O-N 3.44Å; H97-D101 VanDerWaalsContact O-N 3.13Å
98L94.9Very high96.1Very high20 Ų2027.5 Ų27.511%0.10516%0.164CC..Hα-helixtrans-58.3-35-176.8-63.7-175.4000114.2I19 S20 D21 Y22 L100 D101 A102 L127I19-L98 HydrophobicContact CG2-CB 3.62Å; I19-L98 HydrophobicContact CG2-CD1 4.44Å; S20-L98 WeakPolarHBondContact O-CD1 3.37Å; D21-L98 HydrophobicContact CB-CB 4.49Å; D21-L98 HydrophobicContact CB-CD1 4.28Å; D21-L98 HydrophobicContact CB-CG 4.42Å; D21-L98 WeakPolarHBondContact OD1-CG 3.36Å; D21-L98 WeakPolarHBondContact OD2-CB 3.49Å; D21-L98 PolarHBondContact OD2-N 2.83Å; Y22-L98 HydrophobicContact CD2-CD1 4.22Å; Y22-L98 HydrophobicContact CE2-CD1 4.09Å; L98-L100 PolarHBondContact O-N 2.83Å; L98-D101 PolarHBondContact O-N 2.92Å; L98-A102 WeakPolarHBondContact O-CB 3.24Å; L98-A102 PolarHBondContact O-N 2.76Å; L98-L127 HydrophobicContact CD2-CD1 3.73Å
99P95.9Very high96.1Very high0 Ų024.3 Ų24.30%014%0.136CC..Hα-helixtrans-55.9-36.6171.1-26.535.2000113.6L14 I19 D21 N25 H97 H103L14-P99 HydrophobicContact CB-CB 4.06Å; L14-P99 HydrophobicContact CD1-CB 4.46Å; I19-P99 HydrophobicContact CB-CG 4.22Å; I19-P99 HydrophobicContact CD1-CB 4.12Å; I19-P99 HydrophobicContact CD1-CG 4.28Å; I19-P99 HydrophobicContact CG2-CG 4.29Å; D21-P99 WeakPolarHBondContact OD2-CD 3.22Å; N25-P99 HydrophobicContact CB-CG 4.37Å; N25-P99 WeakPolarHBondContact ND2-CD 3.3Å; N25-P99 WeakPolarHBondContact ND2-CG 3.3Å; N25-P99 WeakPolarHBondContact OD1-CD 3.42Å; H97-P99 VanDerWaalsContact C-CD 3.44Å; H97-P99 VanDerWaalsContact C-N 3.34Å; P99-H103 WeakPolarHBondContact O-CB 3.29Å; P99-H103 PolarHBondContact O-N 3.15Å; P99-H103 VanDerWaalsContact O-N 3.15Å
100L95.4Very high96.1Very high0 Ų021.9 Ų21.90%013%0.126CC..Hα-helixtrans-85.1-10177.6-161.762000112.9L14 H63 W96 H97 L98 G107 N108 I223 L226L14-L100 HydrophobicContact CD1-CD1 4.12Å; L14-L100 HydrophobicContact CD2-CD1 3.96Å; H63-L100 HydrophobicContact CB-CD2 4.27Å; W96-L100 HydrophobicContact CB-CB 4.36Å; W96-L100 VanDerWaalsContact O-CB 3.29Å; W96-L100 WeakPolarHBondContact O-CB 3.35Å; H97-L100 CarbonylContact O-C 3.59Å; H97-L100 WeakPolarHBondContact O-CA 3.43Å; H97-L100 WeakPolarHBondContact O-CB 3.49Å; H97-L100 PolarHBondContact O-N 3.25Å; L98-L100 PolarHBondContact O-N 2.83Å; L100-G107 CarbonylContact O-C 3.54Å; L100-G107 WeakPolarHBondContact O-CA 3.27Å; L100-N108 PolarHBondContact O-N 3.43Å; L100-I223 HydrophobicContact CD2-CB 4.19Å; L100-I223 HydrophobicContact CD2-CD1 4.03Å; L100-L226 HydrophobicContact CD1-CB 4.22Å; L100-L226 HydrophobicContact CD1-CD2 4.32Å
101D95.7Very high96.1Very high9 Ų921 Ų215%0.04812%0.119CC..Hα-helixtrans-85-38.3166.5-70.2-44.8000112.3H63 H97 L98 N108 N109 L127 T172H63-D101 VanDerWaalsContact CE1-CG 3.47Å; H63-D101 IonicContact CE1-OD1 2.8Å; H63-D101 PolarHBondContact CE1-OD1 3.28Å; H63-D101 VanDerWaalsContact CE1-OD1 3.27Å; H63-D101 IonicContact CE1-OD2 3.36Å; H63-D101 PolarHBondContact CE1-OD2 2.77Å; H63-D101 VanDerWaalsContact CE1-OD2 3.3Å; H63-D101 IonicContact NE2-OD1 3.94Å; H63-D101 PolarHBondContact NE2-OD1 2.72Å; H63-D101 IonicContact NE2-OD2 3.33Å; H97-D101 IonicContact CD2-OD2 2.67Å; H97-D101 IonicContact NE2-OD2 3.41Å; H97-D101 PolarHBondContact O-N 3.44Å; H97-D101 VanDerWaalsContact O-N 3.13Å; L98-D101 PolarHBondContact O-N 2.92Å; D101-N108 WeakPolarHBondContact OD1-CB 3.31Å; D101-N108 PolarHBondContact OD1-ND2 2.76Å; D101-N109 PolarHBondContact O-ND2 2.7Å; D101-L127 HydrophobicContact CB-CD2 3.89Å; D101-T172 PolarHBondContact OD1-OG1 2.89Å
102A93.8Very high96Very high37 Ų3721 Ų2131%0.30612%0.12SC..Hα-helixtrans-85.9-23.6-171.400000114.1I19 L98 L127I19-A102 HydrophobicContact CD1-CB 3.9Å; L98-A102 WeakPolarHBondContact O-CB 3.24Å; L98-A102 PolarHBondContact O-N 2.76Å; A102-L127 HydrophobicContact CB-CD2 3.66Å
103H95.4Very high96Very high24 Ų2421.1 Ų21.111%0.11112%0.12CC..  trans-60.9129.5-171.3-174.6-83000111.5K13 L14 P99 E105 L106 G107K13-H103 PolarHBondContact O-CD2 3.39Å; K13-H103 VanDerWaalsContact O-CD2 3.23Å; K13-H103 PolarHBondContact O-NE2 3.25Å; L14-H103 HydrophobicContact CD2-CB 4.09Å; P99-H103 WeakPolarHBondContact O-CB 3.29Å; P99-H103 PolarHBondContact O-N 3.15Å; P99-H103 VanDerWaalsContact O-N 3.15Å; H103-E105 PolarHBondContact ND1-N 3.48Å; H103-E105 PolarHBondContact O-N 2.98Å; H103-E105 VanDerWaalsContact O-N 3.1Å; H103-L106 PolarHBondContact ND1-N 3.41Å; H103-G107 WeakPolarHBondContact O-CA 3.4Å; H103-G107 PolarHBondContact O-N 2.64Å
104P93Very high95.8Very high115 Ų11524.5 Ų24.575%0.74715%0.149SC*.THydrogen-bonded Turntrans-68.7-17.5-166.225.3-36.2000115A110P104-A110 WeakPolarHBondContact O-CB 3.39Å
105E94.1Very high95.6Very high110 Ų11028.3 Ų28.351%0.51417%0.168SC..THydrogen-bonded Turntrans-115.3-63.9-180176.5-167.3-159.100110.7K13 H103 G107 A110 Q111K13-E105 IonicContact NZ-OE2 3.81Å; K13-E105 PolarHBondContact NZ-OE2 3.38Å; H103-E105 PolarHBondContact ND1-N 3.48Å; H103-E105 PolarHBondContact O-N 2.98Å; H103-E105 VanDerWaalsContact O-N 3.1Å; E105-G107 VanDerWaalsContact C-N 3.28Å; E105-G107 PolarHBondContact O-N 3.29Å; E105-A110 WeakPolarHBondContact O-CB 3.36Å; E105-Q111 PolarHBondContact O-NE2 3.47Å
106L96.2Very high95.4Very high9 Ų928.3 Ų28.35%0.04717%0.168CC..THydrogen-bonded Turntrans-74.3-7.3179-52.5-174.2000115.2K13 L14 H103 G222 A225 L226 W229K13-L106 HydrophobicContact CD-CD1 4.22Å; K13-L106 HydrophobicContact CG-CD1 3.81Å; L14-L106 HydrophobicContact CD2-CD1 4.31Å; H103-L106 PolarHBondContact ND1-N 3.41Å; L106-G222 WeakPolarHBondContact O-CA 3.21Å; L106-A225 HydrophobicContact CB-CB 4.34Å; L106-A225 HydrophobicContact CD2-CB 3.99Å; L106-L226 HydrophobicContact CD1-CD1 4.12Å; L106-W229 HydrophobicContact CD1-CB 4.12Å; L106-W229 HydrophobicContact CD1-CD2 4.41Å; L106-W229 HydrophobicContact CD1-CG 4.1Å; L106-W229 HydrophobicContact CD2-CB 4.18Å
107G95.8Very high95.2Very high0 Ų029.6 Ų29.60%018%0.182CC..SBendtrans-76.4154.4-17000000113.7L100 H103 E105 N109 A110 Q111L100-G107 CarbonylContact O-C 3.54Å; L100-G107 WeakPolarHBondContact O-CA 3.27Å; H103-G107 WeakPolarHBondContact O-CA 3.4Å; H103-G107 PolarHBondContact O-N 2.64Å; E105-G107 VanDerWaalsContact C-N 3.28Å; E105-G107 PolarHBondContact O-N 3.29Å; G107-N109 VanDerWaalsContact C-N 3.26Å; G107-N109 PolarHBondContact O-N 2.7Å; G107-A110 PolarHBondContact O-N 3.11Å; G107-A110 VanDerWaalsContact O-N 3.09Å; G107-Q111 WeakPolarHBondContact O-CB 3.26Å; G107-Q111 VanDerWaalsContact O-CG 3.25Å; G107-Q111 WeakPolarHBondContact O-CG 3.46Å; G107-Q111 PolarHBondContact O-N 2.71Å
108N97.2Very high95.3Very high0 Ų029 Ų290%018%0.179CC..Hα-helixtrans-53.6-43.3177.9-75.2-40.7000112.2H63 L100 D101 Q111 L112 T172 E219 G222H63-N108 PolarHBondContact CE1-ND2 3.36Å; H63-N108 PolarHBondContact NE2-ND2 3.45Å; L100-N108 PolarHBondContact O-N 3.43Å; D101-N108 WeakPolarHBondContact OD1-CB 3.31Å; D101-N108 PolarHBondContact OD1-ND2 2.76Å; N108-Q111 PolarHBondContact O-N 3.04Å; N108-L112 WeakPolarHBondContact O-CB 3.33Å; N108-L112 PolarHBondContact O-N 2.99Å; N108-T172 HydrophobicContact CB-CG2 3.94Å; N108-T172 WeakPolarHBondContact CB-OG1 3.11Å; N108-E219 WeakPolarHBondContact OD1-CA 3.15Å; N108-E219 PolarHBondContact OD1-O 3.48Å; N108-E219 VanDerWaalsContact OD1-O 3.09Å; N108-G222 VanDerWaalsContact OD1-CA 3.32Å; N108-G222 WeakPolarHBondContact OD1-CA 3.49Å; N108-G222 PolarHBondContact OD1-N 2.81Å
109N97.5Very high95.3Very high10 Ų1031.9 Ų31.95%0.05320%0.197CC..Hα-helixtrans-64.6-43.5177.1-73.1-61.3000112.6D101 G107 L112 A113 P129 W170 C171 T172D101-N109 PolarHBondContact O-ND2 2.7Å; G107-N109 VanDerWaalsContact C-N 3.26Å; G107-N109 PolarHBondContact O-N 2.7Å; N109-L112 PolarHBondContact O-N 2.94Å; N109-A113 WeakPolarHBondContact O-CB 3.28Å; N109-A113 PolarHBondContact O-N 2.94Å; N109-P129 HydrophobicContact CB-CG 4.05Å; N109-W170 PolarHBondContact O-NE1 3.42Å; N109-C171 WeakPolarHBondContact OD1-CA 3.43Å; N109-T172 PolarHBondContact OD1-N 3.46Å; N109-T172 PolarHBondContact OD1-OG1 3.43Å
110A96.8Very high95.3Very high20 Ų2035.5 Ų35.517%0.16522%0.22CC..Hα-helixtrans-63.8-43.3177.200000111.7P104 E105 G107 A113 A114P104-A110 WeakPolarHBondContact O-CB 3.39Å; E105-A110 WeakPolarHBondContact O-CB 3.36Å; G107-A110 PolarHBondContact O-N 3.11Å; G107-A110 VanDerWaalsContact O-N 3.09Å; A110-A113 WeakPolarHBondContact O-CB 3.41Å; A110-A113 PolarHBondContact O-N 3.1Å; A110-A114 PolarHBondContact O-N 3.21Å
111Q97.1Very high95.4Very high58 Ų5840.5 Ų40.527%0.27124%0.244SC..Hα-helixtrans-67.2-38.8179.2-66.8-63.6-47.400112.1E105 G107 N108 L115 A225E105-Q111 PolarHBondContact O-NE2 3.47Å; G107-Q111 WeakPolarHBondContact O-CB 3.26Å; G107-Q111 VanDerWaalsContact O-CG 3.25Å; G107-Q111 WeakPolarHBondContact O-CG 3.46Å; G107-Q111 PolarHBondContact O-N 2.71Å; N108-Q111 PolarHBondContact O-N 3.04Å; Q111-L115 VanDerWaalsContact O-CB 3.24Å; Q111-L115 WeakPolarHBondContact O-CB 3.46Å; Q111-L115 PolarHBondContact O-N 3.14Å; Q111-A225 HydrophobicContact CG-CB 3.98Å
112L96.5Very high95.4Very high5 Ų541.4 Ų41.43%0.02626%0.255CS..Hα-helixtrans-64.6-41.6173.6-17761.6000111.5N108 N109 L115 L116 L150 W170 T172 T218N108-L112 WeakPolarHBondContact O-CB 3.33Å; N108-L112 PolarHBondContact O-N 2.99Å; N109-L112 PolarHBondContact O-N 2.94Å; L112-L115 PolarHBondContact O-N 3.29Å; L112-L116 HydrophobicContact CD1-CD1 3.9Å; L112-L116 HydrophobicContact CD1-CG 4.03Å; L112-L116 HydrophobicContact CG-CD1 4.02Å; L112-L116 HydrophobicContact CG-CG 4.44Å; L112-L116 WeakPolarHBondContact O-CB 3.43Å; L112-L116 WeakPolarHBondContact O-CG 3.3Å; L112-L116 PolarHBondContact O-N 3.05Å; L112-L150 HydrophobicContact CD1-CD1 4.09Å; L112-L150 HydrophobicContact CD1-CD2 4.03Å; L112-L150 HydrophobicContact CD1-CG 4.45Å; L112-W170 HydrophobicContact CD2-CG 4.48Å; L112-T172 HydrophobicContact CB-CG2 4.08Å; L112-T172 HydrophobicContact CD2-CG2 3.77Å; L112-T218 HydrophobicContact CD2-CG2 4.18Å
113A96.6Very high95.5Very high2 Ų245.4 Ų45.42%0.01727%0.268CS..Hα-helixtrans-59.4-49.8176.600000111.6N109 A110 L115 L116 G117 I118 V120 W170N109-A113 WeakPolarHBondContact O-CB 3.28Å; N109-A113 PolarHBondContact O-N 2.94Å; A110-A113 WeakPolarHBondContact O-CB 3.41Å; A110-A113 PolarHBondContact O-N 3.1Å; A113-L115 VanDerWaalsContact C-N 3.34Å; A113-L115 PolarHBondContact O-N 2.99Å; A113-L116 PolarHBondContact O-N 3.44Å; A113-G117 PolarHBondContact O-N 2.76Å; A113-I118 HydrophobicContact CB-CB 4.26Å; A113-I118 PolarHBondContact O-N 3.34Å; A113-V120 HydrophobicContact CB-CG2 3.89Å; A113-W170 HydrophobicContact CB-CH2 3.96Å; A113-W170 HydrophobicContact CB-CZ2 3.31Å
114A94.1Very high95.5Very high72 Ų7246 Ų4660%0.59527%0.272SS*.Hα-helixtrans-60.1-44.3177.500000111.6A110 L116 G117A110-A114 PolarHBondContact O-N 3.21Å; A114-L116 VanDerWaalsContact C-N 3.33Å; A114-L116 PolarHBondContact O-N 3.34Å; A114-G117 PolarHBondContact O-N 3.36Å
115L92.5Very high95.5Very high79 Ų7943.4 Ų43.441%0.41425%0.249SC..Hα-helixtrans-60.8-41.4178.8-177.666.8000112.2Q111 L112 A113 G117 R149 L150Q111-L115 VanDerWaalsContact O-CB 3.24Å; Q111-L115 WeakPolarHBondContact O-CB 3.46Å; Q111-L115 PolarHBondContact O-N 3.14Å; L112-L115 PolarHBondContact O-N 3.29Å; A113-L115 VanDerWaalsContact C-N 3.34Å; A113-L115 PolarHBondContact O-N 2.99Å; L115-G117 VanDerWaalsContact C-N 3.34Å; L115-R149 HydrophobicContact CD1-CB 4.12Å; L115-R149 HydrophobicContact CD1-CG 4.41Å; L115-R149 HydrophobicContact CD2-CB 4.01Å; L115-R149 HydrophobicContact CG-CB 3.84Å; L115-R149 HydrophobicContact CG-CG 4.35Å; L115-R149 WeakPolarHBondContact O-CD 3.34Å; L115-R149 PolarHBondContact O-NE 2.94Å; L115-L150 HydrophobicContact CD2-CD2 3.52Å; L115-L150 HydrophobicContact CD2-CG 4.34Å
116L93.2Very high95.4Very high2 Ų243 Ų431%0.0126%0.256CS..Hα-helixtrans-83.8-6.3179.6-63-178.8000113.5L112 A113 A114 I118 I146 R149 I191L112-L116 HydrophobicContact CD1-CD1 3.9Å; L112-L116 HydrophobicContact CD1-CG 4.03Å; L112-L116 HydrophobicContact CG-CD1 4.02Å; L112-L116 HydrophobicContact CG-CG 4.44Å; L112-L116 WeakPolarHBondContact O-CB 3.43Å; L112-L116 WeakPolarHBondContact O-CG 3.3Å; L112-L116 PolarHBondContact O-N 3.05Å; A113-L116 PolarHBondContact O-N 3.44Å; A114-L116 VanDerWaalsContact C-N 3.33Å; A114-L116 PolarHBondContact O-N 3.34Å; L116-I118 HydrophobicContact CB-CD1 3.91Å; L116-I118 HydrophobicContact CB-CG1 4.03Å; L116-I118 HydrophobicContact CD1-CD1 4.08Å; L116-I146 HydrophobicContact CD1-CG1 4.25Å; L116-I146 HydrophobicContact CD2-CG1 3.86Å; L116-R149 HydrophobicContact CD2-CB 4.43Å; L116-I191 HydrophobicContact CD1-CD1 3.71Å
117G93Very high95.3Very high27 Ų2744.4 Ų44.428%0.27826%0.263SS..THydrogen-bonded Turntrans68.743.7-176.100000112.5A113 A114 L115 T134A113-G117 PolarHBondContact O-N 2.76Å; A114-G117 PolarHBondContact O-N 3.36Å; L115-G117 VanDerWaalsContact C-N 3.34Å; G117-T134 PolarHBondContact O-N 3.41Å; G117-T134 PolarHBondContact O-OG1 2.87Å
118I96Very high95.3Very high10 Ų1044.4 Ų44.45%0.05126%0.263CS..EExtended strand (participates in β ladder)trans-99.2125175.6-58.5166.4000108.9A113 L116 V120 E132 L133 V168 W170A113-I118 HydrophobicContact CB-CB 4.26Å; A113-I118 PolarHBondContact O-N 3.34Å; L116-I118 HydrophobicContact CB-CD1 3.91Å; L116-I118 HydrophobicContact CB-CG1 4.03Å; L116-I118 HydrophobicContact CD1-CD1 4.08Å; I118-V120 PolarHBondContact O-N 3.06Å; I118-E132 WeakPolarHBondContact CA-O 3.47Å; I118-L133 HydrophobicContact CD1-CD2 4.39Å; I118-L133 HydrophobicContact CG1-CD2 3.62Å; I118-L133 HydrophobicContact CG1-CG 4.37Å; I118-V168 HydrophobicContact CD1-CB 4.44Å; I118-V168 HydrophobicContact CD1-CG1 4.39Å; I118-W170 HydrophobicContact CB-CH2 4.44Å; I118-W170 HydrophobicContact CB-CZ3 4.41Å; I118-W170 HydrophobicContact CD1-CD2 4.45Å; I118-W170 HydrophobicContact CD1-CE3 3.99Å; I118-W170 HydrophobicContact CD1-CZ3 4.14Å; I118-W170 HydrophobicContact CG2-CE3 4.44Å; I118-W170 HydrophobicContact CG2-CH2 3.71Å; I118-W170 HydrophobicContact CG2-CZ3 3.53Å
119T96.3Very high95.4Very high80 Ų8044.8 Ų44.849%0.49127%0.266SS..EExtended strand (participates in β ladder)trans-82111.8168-61.20000108.6M121 G131 E132T119-M121 HydrophobicContact CG2-SD 4.29Å; T119-M121 PolarHBondContact O-N 2.83Å; T119-G131 CarbonylContact O-C 3.51Å; T119-G131 WeakPolarHBondContact O-CA 3.04Å; T119-E132 PolarHBondContact N-O 3.08Å; T119-E132 PolarHBondContact O-N 3.29Å
120V95.8Very high95.4Very high77 Ų7746 Ų4647%0.46727%0.27SS..EExtended strand (participates in β ladder)trans-67.5125.7-178.6-171.20000109.8A113 I118 P129 W170A113-V120 HydrophobicContact CB-CG2 3.89Å; I118-V120 PolarHBondContact O-N 3.06Å; V120-P129 HydrophobicContact CG1-CB 4.22Å; V120-W170 HydrophobicContact CB-CH2 4.47Å; V120-W170 HydrophobicContact CG1-CH2 4.34Å; V120-W170 HydrophobicContact CG2-CH2 3.92Å; V120-W170 HydrophobicContact CG2-CZ2 3.99Å
121M96.7Very high95.4Very high105 Ų10545.1 Ų45.152%0.51726%0.262SS..EExtended strand (participates in β ladder)trans-108-18.2-176.5-63.2-60.6-75.800113T119 W130 E132T119-M121 HydrophobicContact CG2-SD 4.29Å; T119-M121 PolarHBondContact O-N 2.83Å; M121-W130 HydrophobicContact CB-CD2 4.06Å; M121-W130 HydrophobicContact CB-CE3 4Å; M121-W130 HydrophobicContact CB-CH2 3.49Å; M121-W130 VanDerWaalsContact CB-CH2 3.49Å; M121-W130 HydrophobicContact CB-CZ2 3.55Å; M121-W130 HydrophobicContact CB-CZ3 3.71Å; M121-W130 HydrophobicContact CG-CE3 4.45Å; M121-W130 HydrophobicContact CG-CH2 4.06Å; M121-W130 HydrophobicContact CG-CZ3 3.97Å; M121-W130 PolarHBondContact N-O 2.8Å; M121-E132 HydrophobicContact CG-CG 4.42Å
122G95.8Very high95.5Very high27 Ų2745.3 Ų45.328%0.27826%0.263SS..EExtended strand (participates in β ladder)trans163.2-162.7176.400000111.7P129 W130G122-P129 WeakPolarHBondContact O-CA 3.18Å; G122-W130 PolarHBondContact N-O 3.26Å; G122-W130 PolarHBondContact O-N 2.81Å
123E95.3Very high95.5Very high121 Ų12145.4 Ų45.457%0.56526%0.264SS*.EExtended strand (participates in β ladder)trans-123.8140.5176.1-63.4-176.2157.200110.3P129E123-P129 HydrophobicContact CG-CB 4.47Å
124I96Very high95.1Very high38 Ų3850.5 Ų50.520%0.19530%0.295CS..EExtended strand (participates in β ladder)trans-79.2-45.3174.6-60.2-179.2000109.3V128 W130 A169 A182 F185 V187I124-V128 HydrophobicContact CB-CG1 4.33Å; I124-V128 HydrophobicContact CD1-CG1 4.46Å; I124-V128 PolarHBondContact N-O 3.33Å; I124-W130 HydrophobicContact CD1-CB 4.12Å; I124-W130 HydrophobicContact CG1-CB 4.09Å; I124-W130 HydrophobicContact CG1-CG 4.22Å; I124-A169 HydrophobicContact CD1-CB 3.64Å; I124-A182 HydrophobicContact CD1-CB 4.3Å; I124-F185 HydrophobicContact CB-CD2 4.48Å; I124-F185 HydrophobicContact CD1-CB 3.7Å; I124-F185 HydrophobicContact CD1-CD1 3.76Å; I124-F185 HydrophobicContact CD1-CD2 4.47Å; I124-F185 HydrophobicContact CD1-CG 3.73Å; I124-F185 HydrophobicContact CG1-CB 4.11Å; I124-F185 HydrophobicContact CG1-CD1 3.87Å; I124-F185 HydrophobicContact CG1-CD2 3.97Å; I124-F185 HydrophobicContact CG1-CE1 4.27Å; I124-F185 HydrophobicContact CG1-CE2 4.36Å; I124-F185 HydrophobicContact CG1-CG 3.71Å; I124-F185 HydrophobicContact CG2-CB 4.04Å; I124-F185 HydrophobicContact CG2-CD2 4.19Å; I124-F185 HydrophobicContact CG2-CG 4.25Å; I124-V187 HydrophobicContact CD1-CG1 4.45Å
125E94.1Very high94.9Very high60 Ų6052.2 Ų52.228%0.2829%0.292SS..EExtended strand (participates in β ladder)trans-154.3168.7172.465.4-177.1107.100108.3L127 V128 F178 S181E125-L127 PolarHBondContact O-N 3.07Å; E125-V128 HydrophobicContact CG-CB 3.97Å; E125-V128 HydrophobicContact CG-CG2 3.65Å; E125-V128 PolarHBondContact O-N 3.42Å; E125-F178 VanDerWaalsContact CD-CD1 3.42Å; E125-F178 HydrophobicContact CG-CD1 4.06Å; E125-F178 HydrophobicContact CG-CE1 4.16Å; E125-F178 WeakPolarHBondContact OE2-CE1 3.48Å; E125-S181 WeakPolarHBondContact OE1-CB 3.39Å; E125-S181 PolarHBondContact OE1-OG 3.07Å
126P91.3Very high94.9Very high100 Ų10051.1 Ų51.165%0.64929%0.289SS*.THydrogen-bonded Turntrans-51.5132-177.3-27.535.9000112.3V128P126-V128 PolarHBondContact O-N 2.98Å
127L93.6Very high95Very high39 Ų3951.2 Ų51.220%0.20429%0.29CS..THydrogen-bonded Turntrans71.43.1-175.5-52166.9000116.2L98 D101 A102 E125 P129 C171L98-L127 HydrophobicContact CD2-CD1 3.73Å; D101-L127 HydrophobicContact CB-CD2 3.89Å; A102-L127 HydrophobicContact CB-CD2 3.66Å; E125-L127 PolarHBondContact O-N 3.07Å; L127-P129 VanDerWaalsContact O-CD 3.25Å; L127-P129 WeakPolarHBondContact O-CD 3.2Å; L127-C171 PolarHBondContact O-SG 3.05Å
128V97Very high95.1Very high0 Ų052.8 Ų52.80%030%0.295CS..EExtended strand (participates in β ladder)trans-118.673.5179.8-167.70000110.2I124 E125 P126 C171 F178 F190I124-V128 HydrophobicContact CB-CG1 4.33Å; I124-V128 HydrophobicContact CD1-CG1 4.46Å; I124-V128 PolarHBondContact N-O 3.33Å; E125-V128 HydrophobicContact CG-CB 3.97Å; E125-V128 HydrophobicContact CG-CG2 3.65Å; E125-V128 PolarHBondContact O-N 3.42Å; P126-V128 PolarHBondContact O-N 2.98Å; V128-C171 HydrophobicContact CG2-CB 4.38Å; V128-F178 HydrophobicContact CG1-CB 4.38Å; V128-F178 HydrophobicContact CG2-CB 3.78Å; V128-F178 HydrophobicContact CG2-CD1 3.69Å; V128-F178 HydrophobicContact CG2-CD2 3.55Å; V128-F178 HydrophobicContact CG2-CE1 4.09Å; V128-F178 HydrophobicContact CG2-CE2 3.97Å; V128-F178 HydrophobicContact CG2-CG 3.4Å; V128-F178 VanDerWaalsContact CG2-CG 3.4Å; V128-F178 HydrophobicContact CG2-CZ 4.22Å; V128-F190 HydrophobicContact CG1-CE2 4.12Å
129P97.7Very high95Very high9 Ų952.4 Ų52.46%0.05829%0.294CS..EExtended strand (participates in β ladder)trans-63.3156.5171.429.7-38.9000112.1N109 V120 G122 E123 L127 A169 W170N109-P129 HydrophobicContact CB-CG 4.05Å; V120-P129 HydrophobicContact CG1-CB 4.22Å; G122-P129 WeakPolarHBondContact O-CA 3.18Å; E123-P129 HydrophobicContact CG-CB 4.47Å; L127-P129 VanDerWaalsContact O-CD 3.25Å; L127-P129 WeakPolarHBondContact O-CD 3.2Å; P129-A169 WeakPolarHBondContact O-CA 3.49Å; P129-W170 HydrophobicContact CB-CH2 3.82Å; P129-W170 HydrophobicContact CB-CZ2 3.56Å; P129-W170 HydrophobicContact CB-CZ3 4.46Å; P129-W170 VanDerWaalsContact CD-O 3.27Å; P129-W170 WeakPolarHBondContact CD-O 3.23Å; P129-W170 HydrophobicContact CG-CD2 3.89Å; P129-W170 HydrophobicContact CG-CG 4.3Å; P129-W170 HydrophobicContact CG-CH2 4.08Å; P129-W170 HydrophobicContact CG-CZ2 3.4Å; P129-W170 PolarHBondContact O-N 2.92Å; P129-W170 VanDerWaalsContact O-N 3.12Å
130W98.1Very high94.8Very high36 Ų3653.7 Ų53.714%0.13630%0.297CS..EExtended strand (participates in β ladder)trans-133.8158.1166.777.8-82.2000110.5M121 G122 I124 V168 A169 F185 V187M121-W130 HydrophobicContact CB-CD2 4.06Å; M121-W130 HydrophobicContact CB-CE3 4Å; M121-W130 HydrophobicContact CB-CH2 3.49Å; M121-W130 VanDerWaalsContact CB-CH2 3.49Å; M121-W130 HydrophobicContact CB-CZ2 3.55Å; M121-W130 HydrophobicContact CB-CZ3 3.71Å; M121-W130 HydrophobicContact CG-CE3 4.45Å; M121-W130 HydrophobicContact CG-CH2 4.06Å; M121-W130 HydrophobicContact CG-CZ3 3.97Å; M121-W130 PolarHBondContact N-O 2.8Å; G122-W130 PolarHBondContact N-O 3.26Å; G122-W130 PolarHBondContact O-N 2.81Å; I124-W130 HydrophobicContact CD1-CB 4.12Å; I124-W130 HydrophobicContact CG1-CB 4.09Å; I124-W130 HydrophobicContact CG1-CG 4.22Å; W130-V168 CarbonylContact C-O 3.55Å; W130-V168 VanDerWaalsContact CA-O 3.24Å; W130-V168 WeakPolarHBondContact CA-O 3.31Å; W130-A169 HydrophobicContact CB-CB 4.11Å; W130-F185 AromaticContact CD1-CE1 3.72Å; W130-F185 AromaticContact CD1-CZ 3.76Å; W130-F185 AromaticContact CD2-CE1 3.51Å; W130-F185 HydrophobicContact CD2-CE1 3.51Å; W130-F185 HydrophobicContact CD2-CZ 4.03Å; W130-F185 AromaticContact CE2-CE1 3.48Å; W130-F185 VanDerWaalsContact CE2-CE1 3.48Å; W130-F185 AromaticContact CE2-CZ 3.5Å; W130-F185 VanDerWaalsContact CE2-CZ 3.5Å; W130-F185 HydrophobicContact CE3-CE1 4.12Å; W130-F185 HydrophobicContact CG-CD1 4.4Å; W130-F185 AromaticContact CG-CE1 3.68Å; W130-F185 HydrophobicContact CG-CE1 3.68Å; W130-F185 HydrophobicContact CG-CZ 4.18Å; W130-F185 HydrophobicContact CZ2-CE1 4.04Å; W130-F185 AromaticContact CZ2-CZ 3.94Å; W130-F185 HydrophobicContact CZ2-CZ 3.94Å; W130-F185 AromaticContact NE1-CE1 3.6Å; W130-F185 AromaticContact NE1-CZ 3.32Å; W130-F185 VanDerWaalsContact NE1-CZ 3.32Å; W130-V187 HydrophobicContact CB-CG1 4.27Å
131G97.6Very high94.7Very high0 Ų054 Ų540%029%0.294CS..EExtended strand (participates in β ladder)trans-167.6-172.9-177.800000112.8T119 R167 V168T119-G131 CarbonylContact O-C 3.51Å; T119-G131 WeakPolarHBondContact O-CA 3.04Å; G131-R167 WeakPolarHBondContact O-CA 3.39Å; G131-V168 PolarHBondContact N-O 3.49Å; G131-V168 PolarHBondContact O-N 2.99Å
132E97.7Very high94.6Very high62 Ų6249 Ų4929%0.2927%0.269SS..EExtended strand (participates in β ladder)trans-116.1135.1176.8-65.9-173.8-169.700110.9I118 T119 M121 T134 Q166 R167I118-E132 WeakPolarHBondContact CA-O 3.47Å; T119-E132 PolarHBondContact N-O 3.08Å; T119-E132 PolarHBondContact O-N 3.29Å; M121-E132 HydrophobicContact CG-CG 4.42Å; E132-T134 PolarHBondContact O-N 3.14Å; E132-Q166 CarbonylContact C-O 3.45Å; E132-Q166 VanDerWaalsContact CA-O 3.3Å; E132-Q166 WeakPolarHBondContact CA-O 3.37Å; E132-Q166 HydrophobicContact CB-CG 4.31Å; E132-Q166 HydrophobicContact CG-CG 4.32Å; E132-Q166 PolarHBondContact OE2-NE2 3.46Å; E132-R167 HydrophobicContact CG-CG 4.18Å
133L96.1Very high94.5Very high7 Ų748.1 Ų48.14%0.03726%0.259CS..EExtended strand (participates in β ladder)trans-63.1134.5170.4-73.3165.7000109.5I118 M135 V137 L142 V165 Q166 V168I118-L133 HydrophobicContact CD1-CD2 4.39Å; I118-L133 HydrophobicContact CG1-CD2 3.62Å; I118-L133 HydrophobicContact CG1-CG 4.37Å; L133-M135 PolarHBondContact O-N 3.28Å; L133-M135 VanDerWaalsContact O-N 3.11Å; L133-V137 HydrophobicContact CD1-CG2 4.14Å; L133-L142 HydrophobicContact CD1-CD1 4.12Å; L133-L142 HydrophobicContact CD1-CD2 4.12Å; L133-L142 HydrophobicContact CD2-CD1 4.26Å; L133-V165 HydrophobicContact CD1-CG1 4.02Å; L133-Q166 PolarHBondContact N-O 3.03Å; L133-V168 HydrophobicContact CD1-CG2 3.83Å; L133-V168 HydrophobicContact CG-CG2 3.86Å
134T89.2Confident94.4Very high109 Ų10945.1 Ų45.167%0.66925%0.252SS*.EExtended strand (participates in β ladder)trans-59.7-26.7178.6-39.70000111.8G117 E132G117-T134 PolarHBondContact O-N 3.41Å; G117-T134 PolarHBondContact O-OG1 2.87Å; E132-T134 PolarHBondContact O-N 3.14Å
135M90.2Very high94.2Very high108 Ų10845.4 Ų45.453%0.53225%0.25SS..EExtended strand (participates in β ladder)trans-133.8114.8170.3-178.9170.676.600108.7L133 V137 W145L133-M135 PolarHBondContact O-N 3.28Å; L133-M135 VanDerWaalsContact O-N 3.11Å; M135-V137 HydrophobicContact CE-CG1 4.15Å; M135-W145 HydrophobicContact CB-CH2 4.2Å; M135-W145 HydrophobicContact CE-CH2 3.39Å; M135-W145 HydrophobicContact CE-CZ2 3.31Å
136P93.1Very high94.2Very high57 Ų5742.6 Ų42.637%0.3724%0.237SC..EExtended strand (participates in β ladder)trans-58.9137.1173.4-23.433.4000111.1V164 V165 Q166P136-V164 HydrophobicContact CB-CG1 3.46Å; P136-V164 VanDerWaalsContact CB-CG1 3.46Å; P136-V165 WeakPolarHBondContact CA-O 3.3Å; P136-Q166 HydrophobicContact CB-CB 4.18Å; P136-Q166 HydrophobicContact CG-CB 4.16Å; P136-Q166 HydrophobicContact CG-CG 4.04Å
137V94.6Very high94.4Very high3 Ų341.3 Ų41.32%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-139.7154.9-177-72.70000112.3L133 M135 E141 L142 W145 V165L133-V137 HydrophobicContact CD1-CG2 4.14Å; M135-V137 HydrophobicContact CE-CG1 4.15Å; V137-E141 HydrophobicContact CB-CB 4.33Å; V137-E141 HydrophobicContact CB-CG 4.44Å; V137-E141 HydrophobicContact CG1-CG 4.49Å; V137-L142 HydrophobicContact CG2-CB 3.95Å; V137-L142 HydrophobicContact CG2-CD1 4.45Å; V137-W145 HydrophobicContact CB-CH2 4.42Å; V137-W145 HydrophobicContact CG1-CH2 3.29Å; V137-W145 HydrophobicContact CG1-CZ2 3.43Å; V137-W145 VanDerWaalsContact CG1-CZ2 3.43Å; V137-W145 HydrophobicContact CG1-CZ3 3.89Å; V137-W145 HydrophobicContact CG2-CE3 4.2Å; V137-W145 HydrophobicContact CG2-CH2 4.3Å; V137-W145 HydrophobicContact CG2-CZ3 4.03Å; V137-V165 PolarHBondContact N-O 3.03Å; V137-V165 VanDerWaalsContact N-O 3.17Å; V137-V165 PolarHBondContact O-N 2.84Å
138P95.2Very high94.1Very high60 Ų6043.4 Ų43.439%0.3925%0.245SC..  trans-58.4148.3169-2233.6000112.2L140 E141 L142 E163P138-L140 VanDerWaalsContact C-N 3.3Å; P138-L140 PolarHBondContact O-N 3.47Å; P138-E141 WeakPolarHBondContact CD-OE2 3.5Å; P138-E141 WeakPolarHBondContact O-CB 3.4Å; P138-E141 PolarHBondContact O-N 2.84Å; P138-L142 PolarHBondContact O-N 3.16Å; P138-E163 WeakPolarHBondContact CA-O 3.01Å
139G93.3Very high93.7Very high3 Ų347.7 Ų47.73%0.03126%0.262CS..Hα-helixtrans-57.9-36.3-17600000114.9E141 L142 A143 W156 Y211G139-E141 VanDerWaalsContact C-N 3.32Å; G139-E141 PolarHBondContact O-N 2.77Å; G139-L142 PolarHBondContact O-N 3Å; G139-A143 PolarHBondContact O-N 3.38Å; G139-A143 VanDerWaalsContact O-N 3.08Å; G139-W156 VanDerWaalsContact C-CZ2 3.46Å; G139-Y211 WeakPolarHBondContact CA-OH 3.26Å; G139-Y211 WeakPolarHBondContact O-CE1 3.47Å; G139-Y211 PolarHBondContact O-OH 3.08Å
140L93Very high93.2Very high106 Ų10648.1 Ų48.156%0.55526%0.263SS*.Hα-helixtrans-65.2-38175.8179.759000111.8P138 L142 A143 S144 W156P138-L140 VanDerWaalsContact C-N 3.3Å; P138-L140 PolarHBondContact O-N 3.47Å; L140-L142 VanDerWaalsContact C-N 3.35Å; L140-A143 WeakPolarHBondContact O-CB 3.49Å; L140-A143 PolarHBondContact O-N 3.34Å; L140-S144 PolarHBondContact O-N 3.41Å; L140-S144 VanDerWaalsContact O-N 3.15Å; L140-W156 HydrophobicContact CB-CE3 4.46Å; L140-W156 HydrophobicContact CB-CH2 3.53Å; L140-W156 HydrophobicContact CB-CZ2 4.21Å; L140-W156 HydrophobicContact CB-CZ3 3.67Å; L140-W156 HydrophobicContact CD1-CE3 3.81Å; L140-W156 HydrophobicContact CD1-CH2 4.27Å; L140-W156 HydrophobicContact CD1-CZ3 3.47Å; L140-W156 VanDerWaalsContact CD1-CZ3 3.47Å; L140-W156 HydrophobicContact CG-CH2 4.41Å; L140-W156 HydrophobicContact CG-CZ3 4.07Å; L140-W156 VanDerWaalsContact N-CZ2 3.31Å
141E92.8Very high92.6Very high84 Ų8450 Ų5039%0.39329%0.294SS..Hα-helixtrans-69.7-36.4178.4-171172.7179.100110.8V137 P138 G139 A143 S144 W145V137-E141 HydrophobicContact CB-CB 4.33Å; V137-E141 HydrophobicContact CB-CG 4.44Å; V137-E141 HydrophobicContact CG1-CG 4.49Å; P138-E141 WeakPolarHBondContact CD-OE2 3.5Å; P138-E141 WeakPolarHBondContact O-CB 3.4Å; P138-E141 PolarHBondContact O-N 2.84Å; G139-E141 VanDerWaalsContact C-N 3.32Å; G139-E141 PolarHBondContact O-N 2.77Å; E141-A143 VanDerWaalsContact C-N 3.31Å; E141-A143 PolarHBondContact O-N 2.86Å; E141-S144 PolarHBondContact O-N 2.73Å; E141-W145 WeakPolarHBondContact O-CB 3.17Å; E141-W145 VanDerWaalsContact O-CD1 3.24Å; E141-W145 PolarHBondContact O-N 2.88Å
142L94.7Very high92Very high0 Ų055.5 Ų55.50%032%0.315CS..Hα-helixtrans-61.3-37.8170.9-174.557000112.1L133 V137 P138 G139 L140 W145 I146 V165 A189 Y211L133-L142 HydrophobicContact CD1-CD1 4.12Å; L133-L142 HydrophobicContact CD1-CD2 4.12Å; L133-L142 HydrophobicContact CD2-CD1 4.26Å; V137-L142 HydrophobicContact CG2-CB 3.95Å; V137-L142 HydrophobicContact CG2-CD1 4.45Å; P138-L142 PolarHBondContact O-N 3.16Å; G139-L142 PolarHBondContact O-N 3Å; L140-L142 VanDerWaalsContact C-N 3.35Å; L142-W145 HydrophobicContact CD1-CB 4.43Å; L142-W145 HydrophobicContact CD1-CE3 4.31Å; L142-W145 WeakPolarHBondContact O-CB 3.44Å; L142-W145 PolarHBondContact O-N 2.85Å; L142-I146 HydrophobicContact CD1-CD1 4.43Å; L142-I146 HydrophobicContact CD1-CG1 4.39Å; L142-I146 HydrophobicContact CG-CD1 4.1Å; L142-I146 VanDerWaalsContact O-CG1 3.27Å; L142-I146 WeakPolarHBondContact O-CG1 3.14Å; L142-I146 PolarHBondContact O-N 3.26Å; L142-V165 HydrophobicContact CD2-CB 4.32Å; L142-V165 HydrophobicContact CD2-CG1 3.76Å; L142-A189 HydrophobicContact CD2-CB 4.46Å; L142-Y211 HydrophobicContact CB-CE1 4.27Å; L142-Y211 HydrophobicContact CD2-CE2 3.8Å; L142-Y211 HydrophobicContact CG-CE1 4.3Å; L142-Y211 HydrophobicContact CG-CE2 4.39Å
143A94.8Very high91.7Very high8 Ų859.6 Ų59.67%0.06633%0.331CS..Hα-helixtrans-60.9-46173.700000111.7G139 L140 E141 W145 I146 E147 P154 W156 Y211G139-A143 PolarHBondContact O-N 3.38Å; G139-A143 VanDerWaalsContact O-N 3.08Å; L140-A143 WeakPolarHBondContact O-CB 3.49Å; L140-A143 PolarHBondContact O-N 3.34Å; E141-A143 VanDerWaalsContact C-N 3.31Å; E141-A143 PolarHBondContact O-N 2.86Å; A143-W145 VanDerWaalsContact C-N 3.29Å; A143-W145 PolarHBondContact O-N 3.05Å; A143-I146 PolarHBondContact O-N 3.08Å; A143-E147 WeakPolarHBondContact O-CB 3.47Å; A143-E147 PolarHBondContact O-N 3.39Å; A143-P154 HydrophobicContact CB-CG 4Å; A143-P154 WeakPolarHBondContact O-CG 3.5Å; A143-W156 HydrophobicContact CB-CB 4.15Å; A143-W156 HydrophobicContact CB-CD2 4.42Å; A143-W156 HydrophobicContact CB-CG 4.21Å; A143-Y211 HydrophobicContact CB-CD1 4.16Å; A143-Y211 HydrophobicContact CB-CE1 3.88Å
144S92.5Very high91.6Very high59 Ų5959.7 Ų59.741%0.41333%0.332SS..Hα-helixtrans-63.9-34.8175-63.10000112.4L140 E141 E147 A148L140-S144 PolarHBondContact O-N 3.41Å; L140-S144 VanDerWaalsContact O-N 3.15Å; E141-S144 PolarHBondContact O-N 2.73Å; S144-E147 PolarHBondContact O-N 2.99Å; S144-A148 WeakPolarHBondContact O-CB 3.49Å; S144-A148 PolarHBondContact O-N 2.79Å
145W91.9Very high91.9Very high44 Ų4458.5 Ų58.517%0.16732%0.322CS..Hα-helixtrans-65.8-43.9175.6-84.123.5000112.9M135 V137 E141 L142 A143 R149M135-W145 HydrophobicContact CB-CH2 4.2Å; M135-W145 HydrophobicContact CE-CH2 3.39Å; M135-W145 HydrophobicContact CE-CZ2 3.31Å; V137-W145 HydrophobicContact CB-CH2 4.42Å; V137-W145 HydrophobicContact CG1-CH2 3.29Å; V137-W145 HydrophobicContact CG1-CZ2 3.43Å; V137-W145 VanDerWaalsContact CG1-CZ2 3.43Å; V137-W145 HydrophobicContact CG1-CZ3 3.89Å; V137-W145 HydrophobicContact CG2-CE3 4.2Å; V137-W145 HydrophobicContact CG2-CH2 4.3Å; V137-W145 HydrophobicContact CG2-CZ3 4.03Å; E141-W145 WeakPolarHBondContact O-CB 3.17Å; E141-W145 VanDerWaalsContact O-CD1 3.24Å; E141-W145 PolarHBondContact O-N 2.88Å; L142-W145 HydrophobicContact CD1-CB 4.43Å; L142-W145 HydrophobicContact CD1-CE3 4.31Å; L142-W145 WeakPolarHBondContact O-CB 3.44Å; L142-W145 PolarHBondContact O-N 2.85Å; A143-W145 VanDerWaalsContact C-N 3.29Å; A143-W145 PolarHBondContact O-N 3.05Å; W145-R149 VanDerWaalsContact CA-NH1 3.3Å; W145-R149 WeakPolarHBondContact O-CB 3.25Å; W145-R149 VanDerWaalsContact O-CD 3.27Å; W145-R149 WeakPolarHBondContact O-CD 3.21Å; W145-R149 VanDerWaalsContact O-CG 3.26Å; W145-R149 WeakPolarHBondContact O-CG 3.49Å; W145-R149 PolarHBondContact O-N 3.24Å; W145-R149 PolarHBondContact O-NH1 3.24Å; W145-R149 VanDerWaalsContact O-NH1 3.13Å
146I93.6Very high92.1Very high0 Ų057.7 Ų57.70%031%0.313CS..Hα-helixtrans-63.3-45.8174.8-68.7165.4000109.5L116 L142 A143 A148 R149 L150 P154 I191 Y211 A213L116-I146 HydrophobicContact CD1-CG1 4.25Å; L116-I146 HydrophobicContact CD2-CG1 3.86Å; L142-I146 HydrophobicContact CD1-CD1 4.43Å; L142-I146 HydrophobicContact CD1-CG1 4.39Å; L142-I146 HydrophobicContact CG-CD1 4.1Å; L142-I146 VanDerWaalsContact O-CG1 3.27Å; L142-I146 WeakPolarHBondContact O-CG1 3.14Å; L142-I146 PolarHBondContact O-N 3.26Å; A143-I146 PolarHBondContact O-N 3.08Å; I146-A148 PolarHBondContact O-N 2.98Å; I146-R149 PolarHBondContact O-N 2.95Å; I146-L150 HydrophobicContact CG2-CD1 3.77Å; I146-L150 HydrophobicContact CG2-CG 4.46Å; I146-L150 WeakPolarHBondContact O-CB 3.49Å; I146-L150 PolarHBondContact O-N 3.01Å; I146-P154 HydrophobicContact CB-CG 4.18Å; I146-P154 HydrophobicContact CG2-CB 4.14Å; I146-P154 HydrophobicContact CG2-CG 4.03Å; I146-I191 HydrophobicContact CD1-CD1 3.82Å; I146-I191 HydrophobicContact CD1-CG1 4.2Å; I146-I191 HydrophobicContact CD1-CG2 4.36Å; I146-Y211 HydrophobicContact CD1-CD1 3.74Å; I146-Y211 HydrophobicContact CD1-CD2 4.38Å; I146-Y211 HydrophobicContact CD1-CE1 4.39Å; I146-Y211 HydrophobicContact CD1-CG 3.74Å; I146-A213 HydrophobicContact CG2-CB 3.72Å
147E94.9Very high92.2Very high74 Ų7455.3 Ų55.335%0.34630%0.297SS..Hα-helixtrans-57-50.1177.5179.4169-160.800112A143 S144 R149 G151 R152 K153A143-E147 WeakPolarHBondContact O-CB 3.47Å; A143-E147 PolarHBondContact O-N 3.39Å; S144-E147 PolarHBondContact O-N 2.99Å; E147-R149 PolarHBondContact O-N 3.49Å; E147-G151 WeakPolarHBondContact O-CA 3.41Å; E147-G151 PolarHBondContact O-N 2.75Å; E147-R152 WeakPolarHBondContact CA-O 3.41Å; E147-K153 HydrophobicContact CG-CB 4.3Å; E147-K153 WeakPolarHBondContact OE1-CB 3.44Å
148A87.7Confident91.9Very high83 Ų8356 Ų5669%0.68630%0.304SS*.Hα-helixtrans-61.7-32-179.800000113.2S144 I146S144-A148 WeakPolarHBondContact O-CB 3.49Å; S144-A148 PolarHBondContact O-N 2.79Å; I146-A148 PolarHBondContact O-N 2.98Å
149R88.9Confident91.4Very high90 Ų9058.4 Ų58.434%0.3431%0.314SS..Hα-helixtrans-91.4-31.7-174.9-72.2165.717488.8-11.1113.6L115 L116 W145 I146 E147L115-R149 HydrophobicContact CD1-CB 4.12Å; L115-R149 HydrophobicContact CD1-CG 4.41Å; L115-R149 HydrophobicContact CD2-CB 4.01Å; L115-R149 HydrophobicContact CG-CB 3.84Å; L115-R149 HydrophobicContact CG-CG 4.35Å; L115-R149 WeakPolarHBondContact O-CD 3.34Å; L115-R149 PolarHBondContact O-NE 2.94Å; L116-R149 HydrophobicContact CD2-CB 4.43Å; W145-R149 VanDerWaalsContact CA-NH1 3.3Å; W145-R149 WeakPolarHBondContact O-CB 3.25Å; W145-R149 VanDerWaalsContact O-CD 3.27Å; W145-R149 WeakPolarHBondContact O-CD 3.21Å; W145-R149 VanDerWaalsContact O-CG 3.26Å; W145-R149 WeakPolarHBondContact O-CG 3.49Å; W145-R149 PolarHBondContact O-N 3.24Å; W145-R149 PolarHBondContact O-NH1 3.24Å; W145-R149 VanDerWaalsContact O-NH1 3.13Å; I146-R149 PolarHBondContact O-N 2.95Å; E147-R149 PolarHBondContact O-N 3.49Å
150L87.5Confident91.2Very high18 Ų1861.5 Ų61.59%0.09433%0.333CS..Hα-helixtrans-100.8-10.1-179.6-64.7-179.8000113.7L112 L115 I146 R152 A213 A217 T218L112-L150 HydrophobicContact CD1-CD1 4.09Å; L112-L150 HydrophobicContact CD1-CD2 4.03Å; L112-L150 HydrophobicContact CD1-CG 4.45Å; L115-L150 HydrophobicContact CD2-CD2 3.52Å; L115-L150 HydrophobicContact CD2-CG 4.34Å; I146-L150 HydrophobicContact CG2-CD1 3.77Å; I146-L150 HydrophobicContact CG2-CG 4.46Å; I146-L150 WeakPolarHBondContact O-CB 3.49Å; I146-L150 PolarHBondContact O-N 3.01Å; L150-R152 PolarHBondContact O-N 3.11Å; L150-A213 HydrophobicContact CD1-CB 3.73Å; L150-A217 HydrophobicContact CB-CB 4.37Å; L150-T218 HydrophobicContact CD1-CG2 4.17Å
151G84.3Confident91Very high75 Ų7557.4 Ų57.477%0.77332%0.315SS*.THydrogen-bonded Turntrans66.427.1-177.900000112.9E147E147-G151 WeakPolarHBondContact O-CA 3.41Å; E147-G151 PolarHBondContact O-N 2.75Å
152R85.3Confident91Very high116 Ų11655.5 Ų55.544%0.43831%0.31SS..SBendtrans-148.9125.4178.8-178.3179.5178.8-77.7-2.1109.8E147 L150 P154 A212 A213 A217E147-R152 WeakPolarHBondContact CA-O 3.41Å; L150-R152 PolarHBondContact O-N 3.11Å; R152-P154 WeakPolarHBondContact O-CD 3.48Å; R152-A212 PolarHBondContact NH1-O 3.29Å; R152-A213 VanDerWaalsContact NH1-C 3.27Å; R152-A213 PolarHBondContact NH1-O 3.37Å; R152-A217 HydrophobicContact CB-CB 4.5Å
153K91.7Very high90.9Very high148 Ų14864 Ų6464%0.64335%0.35SS*.PPolyproline II helixtrans-59.3118.9173.3-168.6168.9-176.2172.60110.8E147E147-K153 HydrophobicContact CG-CB 4.3Å; E147-K153 WeakPolarHBondContact OE1-CB 3.44Å
154P94.4Very high90.9Very high9 Ų967.2 Ų67.26%0.05837%0.369CS..PPolyproline II helixtrans-71.3149.2175.130.5-34.5000110.2A143 I146 R152 W156 A212 A213A143-P154 HydrophobicContact CB-CG 4Å; A143-P154 WeakPolarHBondContact O-CG 3.5Å; I146-P154 HydrophobicContact CB-CG 4.18Å; I146-P154 HydrophobicContact CG2-CB 4.14Å; I146-P154 HydrophobicContact CG2-CG 4.03Å; R152-P154 WeakPolarHBondContact O-CD 3.48Å; P154-W156 PolarHBondContact O-N 2.9Å; P154-A212 WeakPolarHBondContact CA-O 3.29Å; P154-A213 HydrophobicContact CB-CB 4.48Å
155L95.2Very high91.1Very high84 Ų8464.4 Ų64.444%0.4435%0.349SS..EExtended strand (participates in β ladder)trans-76.8119.2160.4-177.1155000107.3V195 I200 Y211 A212L155-V195 HydrophobicContact CD1-CG1 4.37Å; L155-V195 HydrophobicContact CD2-CG2 4.27Å; L155-I200 HydrophobicContact CD2-CD1 3.79Å; L155-Y211 WeakPolarHBondContact O-CA 3.28Å; L155-A212 HydrophobicContact CB-CB 4.27Å; L155-A212 PolarHBondContact N-O 3.2Å; L155-A212 PolarHBondContact O-N 3.4Å
156W95.3Very high91.3Very high91 Ų9166 Ų6635%0.34536%0.359SS..EExtended strand (participates in β ladder)trans-111.6131.2-176.9172.651.4000110.8G139 L140 A143 P154 H209 F210 Y211G139-W156 VanDerWaalsContact C-CZ2 3.46Å; L140-W156 HydrophobicContact CB-CE3 4.46Å; L140-W156 HydrophobicContact CB-CH2 3.53Å; L140-W156 HydrophobicContact CB-CZ2 4.21Å; L140-W156 HydrophobicContact CB-CZ3 3.67Å; L140-W156 HydrophobicContact CD1-CE3 3.81Å; L140-W156 HydrophobicContact CD1-CH2 4.27Å; L140-W156 HydrophobicContact CD1-CZ3 3.47Å; L140-W156 VanDerWaalsContact CD1-CZ3 3.47Å; L140-W156 HydrophobicContact CG-CH2 4.41Å; L140-W156 HydrophobicContact CG-CZ3 4.07Å; L140-W156 VanDerWaalsContact N-CZ2 3.31Å; A143-W156 HydrophobicContact CB-CB 4.15Å; A143-W156 HydrophobicContact CB-CD2 4.42Å; A143-W156 HydrophobicContact CB-CG 4.21Å; P154-W156 PolarHBondContact O-N 2.9Å; W156-H209 AromaticContact CE2-ND1 3.72Å; W156-H209 AromaticContact CZ2-CE1 3.86Å; W156-H209 AromaticContact CZ2-ND1 3.72Å; W156-H209 AromaticContact NE1-CG 3.93Å; W156-H209 AromaticContact NE1-ND1 3.16Å; W156-H209 PolarHBondContact NE1-ND1 3.37Å; W156-H209 VanDerWaalsContact NE1-ND1 3.16Å; W156-F210 WeakPolarHBondContact CA-O 3.43Å; W156-Y211 HydrophobicContact CB-CD1 4.17Å; W156-Y211 HydrophobicContact CB-CE1 4.33Å; W156-Y211 AromaticContact CD1-CD1 3.54Å; W156-Y211 AromaticContact CD1-CE1 3.08Å; W156-Y211 AromaticContact CD1-CZ 3.49Å; W156-Y211 VanDerWaalsContact CD1-CZ 3.49Å; W156-Y211 HydrophobicContact CG-CD1 4.08Å; W156-Y211 AromaticContact CG-CE1 3.77Å; W156-Y211 HydrophobicContact CG-CE1 3.77Å; W156-Y211 AromaticContact NE1-CE1 3.48Å; W156-Y211 AromaticContact NE1-CZ 3.49Å; W156-Y211 PolarHBondContact NE1-OH 2.93Å
157C94.7Very high91.5Very high7 Ų769.7 Ų69.75%0.04737%0.372CS..EExtended strand (participates in β ladder)trans-118.3119167.1-175.70000107.9I200 H209 F210C157-I200 HydrophobicContact CB-CD1 3.96Å; C157-H209 CarbonylContact O-C 3.5Å; C157-H209 WeakPolarHBondContact O-CA 3.48Å; C157-F210 HydrophobicContact CB-CB 4.33Å; C157-F210 PolarHBondContact N-O 3.46Å; C157-F210 PolarHBondContact O-N 3.17Å
158G88.4Confident91.7Very high16 Ų1666.1 Ų66.117%0.16536%0.356CS..  trans-13913.4-17500000114.7T160 G161 H209G158-T160 PolarHBondContact O-N 2.95Å; G158-T160 VanDerWaalsContact O-N 3.09Å; G158-G161 PolarHBondContact O-N 3.34Å; G158-H209 WeakPolarHBondContact CA-ND1 3.33Å
159D85.1Confident92.2Very high112 Ų11262.2 Ų62.260%0.59932%0.323SS*.THydrogen-bonded Turntrans-59.3-26.3-169-58.9-34.8000113.7R204D159-R204 IonicContact OD2-CZ 3.33Å; D159-R204 VanDerWaalsContact OD2-CZ 3.23Å; D159-R204 IonicContact OD2-NE 3.19Å; D159-R204 PolarHBondContact OD2-NE 2.75Å; D159-R204 IonicContact OD2-NH2 2.67Å; D159-R204 PolarHBondContact OD2-NH2 3.05Å
160T88.5Confident92.6Very high68 Ų6858 Ų5842%0.41731%0.307SS..THydrogen-bonded Turntrans-128.67.6-176.257.10000113.6G158 R204 G207G158-T160 PolarHBondContact O-N 2.95Å; G158-T160 VanDerWaalsContact O-N 3.09Å; T160-R204 WeakPolarHBondContact CB-O 3.39Å; T160-R204 WeakPolarHBondContact CG2-O 3.34Å; T160-R204 VanDerWaalsContact OG1-CA 3.29Å; T160-R204 WeakPolarHBondContact OG1-CA 3.39Å; T160-R204 PolarHBondContact OG1-O 3.15Å; T160-G207 CarbonylContact O-C 3.49Å; T160-G207 WeakPolarHBondContact O-CA 3.48Å
161G89Confident93.1Very high19 Ų1957.4 Ų57.420%0.19631%0.305CS..SBendtrans-73.7163.2177.500000112.7G158G158-G161 PolarHBondContact O-N 3.34Å
162P93.5Very high93.7Very high44 Ų4454.2 Ų54.229%0.28627%0.27SS..  trans-63.9152.1176.527.6-35.1000112V164 D188 H209P162-V164 PolarHBondContact O-N 2.63Å; P162-V164 VanDerWaalsContact O-N 3.11Å; P162-D188 HydrophobicContact CG-CB 3.65Å; P162-H209 PolarHBondContact O-NE2 3.29Å
163E91.8Very high94.1Very high180 Ų18048.7 Ų48.784%0.84125%0.249SC*.SBendtrans-57.5-31.1-179.3-70.4-172.3166.800113.4P138P138-E163 WeakPolarHBondContact CA-O 3.01Å
164V95.1Very high94.1Very high75 Ų7543.4 Ų43.446%0.45524%0.237SC..SBendtrans-126.8130.3-179.8-178.10000108.8P136 P162P136-V164 HydrophobicContact CB-CG1 3.46Å; P136-V164 VanDerWaalsContact CB-CG1 3.46Å; P162-V164 PolarHBondContact O-N 2.63Å; P162-V164 VanDerWaalsContact O-N 3.11Å
165V96.8Very high94.1Very high0 Ų043.1 Ų43.10%024%0.236CC..EExtended strand (participates in β ladder)trans-95.4123.2174.5178.80000108.8L133 P136 V137 L142 V168 D188 A189 H209L133-V165 HydrophobicContact CD1-CG1 4.02Å; P136-V165 WeakPolarHBondContact CA-O 3.3Å; V137-V165 PolarHBondContact N-O 3.03Å; V137-V165 VanDerWaalsContact N-O 3.17Å; V137-V165 PolarHBondContact O-N 2.84Å; L142-V165 HydrophobicContact CD2-CB 4.32Å; L142-V165 HydrophobicContact CD2-CG1 3.76Å; V165-V168 HydrophobicContact CG1-CG2 3.64Å; V165-D188 HydrophobicContact CB-CB 4.39Å; V165-D188 HydrophobicContact CG1-CB 4.04Å; V165-D188 HydrophobicContact CG2-CB 4.47Å; V165-A189 HydrophobicContact CG1-CB 3.52Å; V165-A189 HydrophobicContact CG2-CB 4.4Å; V165-H209 WeakPolarHBondContact CG2-CD2 3.4Å
166Q96.6Very high94Very high78 Ų7841.1 Ų41.136%0.36422%0.224SC..EExtended strand (participates in β ladder)trans-122.8-52.1171.5178.7173.8-5.400111E132 L133 P136 D188E132-Q166 CarbonylContact C-O 3.45Å; E132-Q166 VanDerWaalsContact CA-O 3.3Å; E132-Q166 WeakPolarHBondContact CA-O 3.37Å; E132-Q166 HydrophobicContact CB-CG 4.31Å; E132-Q166 HydrophobicContact CG-CG 4.32Å; E132-Q166 PolarHBondContact OE2-NE2 3.46Å; L133-Q166 PolarHBondContact N-O 3.03Å; P136-Q166 HydrophobicContact CB-CB 4.18Å; P136-Q166 HydrophobicContact CG-CB 4.16Å; P136-Q166 HydrophobicContact CG-CG 4.04Å; Q166-D188 PolarHBondContact N-OD2 2.74Å
167R97.7Very high94Very high76 Ų7640.9 Ų40.929%0.28724%0.237SC..EExtended strand (participates in β ladder)trans-88.8119.9-177.6-61.1-179.772.7-153.60.3109.4G131 E132 G186 V187 D188 A189G131-R167 WeakPolarHBondContact O-CA 3.39Å; E132-R167 HydrophobicContact CG-CG 4.18Å; R167-G186 PolarHBondContact NH1-O 3.39Å; R167-G186 VanDerWaalsContact NH1-O 3.13Å; R167-V187 HydrophobicContact CB-CB 4.49Å; R167-V187 HydrophobicContact CB-CG1 4.45Å; R167-D188 PolarHBondContact N-OD2 3.24Å; R167-D188 WeakPolarHBondContact O-CB 3.49Å; R167-D188 PolarHBondContact O-N 2.87Å; R167-A189 PolarHBondContact O-N 3.39Å
168V97.9Very high94.1Very high0 Ų042.8 Ų42.80%024%0.244CC..EExtended strand (participates in β ladder)trans-127.4135.5-174.6-171.30000109.2I118 W130 G131 L133 V165 W170 A189 I191I118-V168 HydrophobicContact CD1-CB 4.44Å; I118-V168 HydrophobicContact CD1-CG1 4.39Å; W130-V168 CarbonylContact C-O 3.55Å; W130-V168 VanDerWaalsContact CA-O 3.24Å; W130-V168 WeakPolarHBondContact CA-O 3.31Å; G131-V168 PolarHBondContact N-O 3.49Å; G131-V168 PolarHBondContact O-N 2.99Å; L133-V168 HydrophobicContact CD1-CG2 3.83Å; L133-V168 HydrophobicContact CG-CG2 3.86Å; V165-V168 HydrophobicContact CG1-CG2 3.64Å; V168-W170 WeakPolarHBondContact O-CZ3 3.15Å; V168-A189 WeakPolarHBondContact CA-O 3.37Å; V168-A189 HydrophobicContact CG1-CB 4.1Å; V168-A189 HydrophobicContact CG2-CB 4.21Å; V168-I191 HydrophobicContact CG1-CD1 3.64Å; V168-I191 HydrophobicContact CG1-CG1 3.9Å
169A98.1Very high94.4Very high0 Ų042.1 Ų42.10%024%0.237CC..EExtended strand (participates in β ladder)trans-107.2151.6163.300000109.9I124 P129 W130 A182 V187 A189 F190 I191I124-A169 HydrophobicContact CD1-CB 3.64Å; P129-A169 WeakPolarHBondContact O-CA 3.49Å; W130-A169 HydrophobicContact CB-CB 4.11Å; A169-A182 HydrophobicContact CB-CB 3.99Å; A169-V187 HydrophobicContact CB-CB 4.46Å; A169-V187 HydrophobicContact CB-CG1 4.01Å; A169-V187 HydrophobicContact CB-CG2 3.9Å; A169-A189 PolarHBondContact N-O 3.08Å; A169-F190 HydrophobicContact CB-CD2 3.93Å; A169-F190 HydrophobicContact CB-CE2 4.46Å; A169-F190 CarbonylContact O-C 3.58Å; A169-F190 VanDerWaalsContact O-CA 3.3Å; A169-F190 WeakPolarHBondContact O-CA 3.26Å; A169-F190 WeakPolarHBondContact O-CD2 3.24Å; A169-I191 PolarHBondContact O-N 3.47Å
170W97.9Very high95Very high1 Ų139.1 Ų39.10%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-148158.2176.565.498000112N109 L112 A113 I118 V120 P129 V168 I191N109-W170 PolarHBondContact O-NE1 3.42Å; L112-W170 HydrophobicContact CD2-CG 4.48Å; A113-W170 HydrophobicContact CB-CH2 3.96Å; A113-W170 HydrophobicContact CB-CZ2 3.31Å; I118-W170 HydrophobicContact CB-CH2 4.44Å; I118-W170 HydrophobicContact CB-CZ3 4.41Å; I118-W170 HydrophobicContact CD1-CD2 4.45Å; I118-W170 HydrophobicContact CD1-CE3 3.99Å; I118-W170 HydrophobicContact CD1-CZ3 4.14Å; I118-W170 HydrophobicContact CG2-CE3 4.44Å; I118-W170 HydrophobicContact CG2-CH2 3.71Å; I118-W170 HydrophobicContact CG2-CZ3 3.53Å; V120-W170 HydrophobicContact CB-CH2 4.47Å; V120-W170 HydrophobicContact CG1-CH2 4.34Å; V120-W170 HydrophobicContact CG2-CH2 3.92Å; V120-W170 HydrophobicContact CG2-CZ2 3.99Å; P129-W170 HydrophobicContact CB-CH2 3.82Å; P129-W170 HydrophobicContact CB-CZ2 3.56Å; P129-W170 HydrophobicContact CB-CZ3 4.46Å; P129-W170 VanDerWaalsContact CD-O 3.27Å; P129-W170 WeakPolarHBondContact CD-O 3.23Å; P129-W170 HydrophobicContact CG-CD2 3.89Å; P129-W170 HydrophobicContact CG-CG 4.3Å; P129-W170 HydrophobicContact CG-CH2 4.08Å; P129-W170 HydrophobicContact CG-CZ2 3.4Å; P129-W170 PolarHBondContact O-N 2.92Å; P129-W170 VanDerWaalsContact O-N 3.12Å; V168-W170 WeakPolarHBondContact O-CZ3 3.15Å; W170-I191 CarbonylContact C-O 3.49Å; W170-I191 WeakPolarHBondContact CA-O 3.48Å; W170-I191 HydrophobicContact CB-CB 3.91Å; W170-I191 VanDerWaalsContact CB-O 3.31Å; W170-I191 WeakPolarHBondContact CB-O 3.18Å
171C97.5Very high95.3Very high7 Ų736.9 Ų36.95%0.04721%0.208CC..EExtended strand (participates in β ladder)trans-148.3114.4169.5-174.40000107.8N109 L127 V128 F178 F190 I191 T192N109-C171 WeakPolarHBondContact OD1-CA 3.43Å; L127-C171 PolarHBondContact O-SG 3.05Å; V128-C171 HydrophobicContact CG2-CB 4.38Å; C171-F178 HydrophobicContact CB-CD2 4.17Å; C171-F190 HydrophobicContact CB-CE2 4.42Å; C171-F190 HydrophobicContact CB-CZ 4.16Å; C171-I191 PolarHBondContact N-O 2.84Å; C171-T192 VanDerWaalsContact O-CA 3.22Å; C171-T192 WeakPolarHBondContact O-CA 3.32Å; C171-T192 VanDerWaalsContact O-CB 3.27Å; C171-T192 WeakPolarHBondContact O-CB 3.28Å; C171-T192 PolarHBondContact O-OG1 2.82Å
172T96.7Very high95.7Very high7 Ų736 Ų364%0.04320%0.199CC..SBendtrans-60.1153.5177.552.20000111.6D101 N108 N109 L112 T218D101-T172 PolarHBondContact OD1-OG1 2.89Å; N108-T172 HydrophobicContact CB-CG2 3.94Å; N108-T172 WeakPolarHBondContact CB-OG1 3.11Å; N109-T172 PolarHBondContact OD1-N 3.46Å; N109-T172 PolarHBondContact OD1-OG1 3.43Å; L112-T172 HydrophobicContact CB-CG2 4.08Å; L112-T172 HydrophobicContact CD2-CG2 3.77Å; T172-T218 VanDerWaalsContact CG2-O 3.31Å; T172-T218 WeakPolarHBondContact CG2-O 3.38Å
173G94.2Very high95.8Very high0 Ų034.8 Ų34.80%019%0.192CC..SBendtrans75.8-137.1177.100000114.5G175 T192 G193 E194 T218 E219G173-G175 VanDerWaalsContact C-N 3.26Å; G173-G175 PolarHBondContact O-N 2.85Å; G173-T192 PolarHBondContact O-OG1 3.03Å; G173-G193 WeakPolarHBondContact O-CA 3.35Å; G173-G193 PolarHBondContact O-N 3.36Å; G173-E194 PolarHBondContact O-N 2.96Å; G173-T218 PolarHBondContact N-OG1 3.14Å; G173-E219 WeakPolarHBondContact CA-OE1 3.19Å
174G92.4Very high95.9Very high38 Ų3834.9 Ų34.939%0.39219%0.185SC..SBendtrans-80.828.1-177.300000116.1Q176G174-Q176 PolarHBondContact O-N 3.43Å; G174-Q176 VanDerWaalsContact O-N 3.07Å
175G93.7Very high96Very high3 Ų335.1 Ų35.13%0.03118%0.18CC..G310 helixtrans-75.114.2-173.100000116.9G173 S177 F178 F190 T192G173-G175 VanDerWaalsContact C-N 3.26Å; G173-G175 PolarHBondContact O-N 2.85Å; G175-S177 PolarHBondContact O-N 3.15Å; G175-F178 WeakPolarHBondContact O-CB 3.38Å; G175-F178 VanDerWaalsContact O-CD2 3.29Å; G175-F178 WeakPolarHBondContact O-CD2 3.17Å; G175-F178 PolarHBondContact O-N 2.99Å; G175-F178 VanDerWaalsContact O-N 3.11Å; G175-F190 WeakPolarHBondContact O-CZ 3.4Å; G175-T192 WeakPolarHBondContact CA-OG1 3.42Å; G175-T192 PolarHBondContact N-OG1 2.66Å; G175-T192 VanDerWaalsContact N-OG1 3.15Å
176Q94.2Very high95.9Very high41 Ų4137 Ų3719%0.19220%0.199CC..G310 helixtrans-61.1-28.7-171.774.9-168.5-4.400114.3G174 F178 I179 T192 E194 V195 T199G174-Q176 PolarHBondContact O-N 3.43Å; G174-Q176 VanDerWaalsContact O-N 3.07Å; Q176-F178 PolarHBondContact O-N 3.44Å; Q176-I179 WeakPolarHBondContact O-CG2 3.44Å; Q176-I179 PolarHBondContact O-N 3.12Å; Q176-T192 HydrophobicContact CB-CG2 4.03Å; Q176-E194 VanDerWaalsContact OE1-CB 3.25Å; Q176-V195 PolarHBondContact OE1-O 3.19Å; Q176-T199 HydrophobicContact CB-CG2 3.73Å; Q176-T199 HydrophobicContact CG-CG2 4.04Å; Q176-T199 VanDerWaalsContact O-CG2 3.28Å; Q176-T199 WeakPolarHBondContact O-CG2 3.2Å
177S94.3Very high95.9Very high87 Ų8733.6 Ų33.661%0.60818%0.184SC*.G310 helixtrans-67.1-16.7178.151.90000114G175 I179G175-S177 PolarHBondContact O-N 3.15Å; S177-I179 PolarHBondContact O-N 3.39Å
178F96.2Very high95.9Very high47 Ų4731.9 Ų31.921%0.20618%0.18CC..G310 helixtrans-79.8-3.2179.5-62.2-63.4000113.8E125 V128 C171 G175 Q176 D180 S181 A182 F190E125-F178 VanDerWaalsContact CD-CD1 3.42Å; E125-F178 HydrophobicContact CG-CD1 4.06Å; E125-F178 HydrophobicContact CG-CE1 4.16Å; E125-F178 WeakPolarHBondContact OE2-CE1 3.48Å; V128-F178 HydrophobicContact CG1-CB 4.38Å; V128-F178 HydrophobicContact CG2-CB 3.78Å; V128-F178 HydrophobicContact CG2-CD1 3.69Å; V128-F178 HydrophobicContact CG2-CD2 3.55Å; V128-F178 HydrophobicContact CG2-CE1 4.09Å; V128-F178 HydrophobicContact CG2-CE2 3.97Å; V128-F178 HydrophobicContact CG2-CG 3.4Å; V128-F178 VanDerWaalsContact CG2-CG 3.4Å; V128-F178 HydrophobicContact CG2-CZ 4.22Å; C171-F178 HydrophobicContact CB-CD2 4.17Å; G175-F178 WeakPolarHBondContact O-CB 3.38Å; G175-F178 VanDerWaalsContact O-CD2 3.29Å; G175-F178 WeakPolarHBondContact O-CD2 3.17Å; G175-F178 PolarHBondContact O-N 2.99Å; G175-F178 VanDerWaalsContact O-N 3.11Å; Q176-F178 PolarHBondContact O-N 3.44Å; F178-D180 VanDerWaalsContact C-N 3.28Å; F178-D180 PolarHBondContact O-N 3.12Å; F178-S181 WeakPolarHBondContact O-CB 3.46Å; F178-S181 PolarHBondContact O-N 3.47Å; F178-A182 PolarHBondContact O-N 3.3Å; F178-F190 HydrophobicContact CB-CE2 4.41Å; F178-F190 HydrophobicContact CB-CZ 3.86Å
179I96.2Very high95.9Very high2 Ų231.9 Ų31.91%0.0118%0.18CC..Hα-helixtrans-55.7-40.4-177.5-167.8174.5000112.9Q176 S177 S181 A182 A183 F190 T199 A203 L208 F210Q176-I179 WeakPolarHBondContact O-CG2 3.44Å; Q176-I179 PolarHBondContact O-N 3.12Å; S177-I179 PolarHBondContact O-N 3.39Å; I179-S181 VanDerWaalsContact C-N 3.31Å; I179-S181 PolarHBondContact O-N 2.96Å; I179-A182 PolarHBondContact O-N 3.43Å; I179-A183 VanDerWaalsContact O-CB 3.32Å; I179-A183 WeakPolarHBondContact O-CB 3.25Å; I179-A183 PolarHBondContact O-N 2.69Å; I179-F190 HydrophobicContact CB-CD1 3.8Å; I179-F190 HydrophobicContact CB-CE1 4.14Å; I179-F190 HydrophobicContact CG1-CB 4.44Å; I179-F190 HydrophobicContact CG1-CD1 3.96Å; I179-F190 HydrophobicContact CG1-CG 4.49Å; I179-T199 VanDerWaalsContact CD1-O 3.25Å; I179-T199 WeakPolarHBondContact CD1-O 3.45Å; I179-T199 HydrophobicContact CG2-CG2 4.08Å; I179-A203 HydrophobicContact CD1-CB 3.94Å; I179-L208 HydrophobicContact CG1-CD1 4.25Å; I179-F210 HydrophobicContact CD1-CB 4.29Å; I179-F210 HydrophobicContact CD1-CD2 3.59Å; I179-F210 HydrophobicContact CD1-CE2 4.19Å; I179-F210 HydrophobicContact CD1-CG 4.14Å; I179-F210 HydrophobicContact CG1-CD2 4.39Å
180D96.2Very high95.9Very high48 Ų4831.9 Ų31.926%0.25718%0.18SC..Hα-helixtrans-71-29-179.4-64.6-30.5000112F178 R184 S202 Q206F178-D180 VanDerWaalsContact C-N 3.28Å; F178-D180 PolarHBondContact O-N 3.12Å; D180-R184 WeakPolarHBondContact O-CB 3.39Å; D180-R184 VanDerWaalsContact O-CG 3.31Å; D180-R184 WeakPolarHBondContact O-CG 3.48Å; D180-R184 PolarHBondContact O-N 2.7Å; D180-R184 VanDerWaalsContact O-N 3.14Å; D180-R184 PolarHBondContact O-NE 2.76Å; D180-S202 WeakPolarHBondContact OD1-CB 3.42Å; D180-S202 PolarHBondContact OD1-OG 2.86Å; D180-Q206 PolarHBondContact OD1-NE2 3.19Å
181S96.1Very high95.9Very high22 Ų2231.8 Ų31.815%0.15418%0.18CC..Hα-helixtrans-72.8-42.5172.1-66.20000111.2E125 F178 I179 R184 F185E125-S181 WeakPolarHBondContact OE1-CB 3.39Å; E125-S181 PolarHBondContact OE1-OG 3.07Å; F178-S181 WeakPolarHBondContact O-CB 3.46Å; F178-S181 PolarHBondContact O-N 3.47Å; I179-S181 VanDerWaalsContact C-N 3.31Å; I179-S181 PolarHBondContact O-N 2.96Å; S181-R184 VanDerWaalsContact CA-NH2 3.32Å; S181-R184 PolarHBondContact O-N 3.35Å; S181-R184 PolarHBondContact OG-NH2 3.5Å; S181-F185 PolarHBondContact O-N 3.21Å
182A96.2Very high95.9Very high0 Ų031.5 Ų31.50%018%0.178CC..Hα-helixtrans-59.8-47.3174.600000111.6I124 A169 F178 I179 R184 F185 G186 V187 F190I124-A182 HydrophobicContact CD1-CB 4.3Å; A169-A182 HydrophobicContact CB-CB 3.99Å; F178-A182 PolarHBondContact O-N 3.3Å; I179-A182 PolarHBondContact O-N 3.43Å; A182-R184 PolarHBondContact O-N 3.26Å; A182-F185 WeakPolarHBondContact O-CB 3.25Å; A182-F185 PolarHBondContact O-N 3.38Å; A182-G186 PolarHBondContact O-N 3.19Å; A182-V187 HydrophobicContact CB-CG2 3.96Å; A182-V187 WeakPolarHBondContact O-CG2 3.35Å; A182-F190 HydrophobicContact CB-CB 4.22Å; A182-F190 HydrophobicContact CB-CD2 3.66Å; A182-F190 HydrophobicContact CB-CE2 4.28Å; A182-F190 HydrophobicContact CB-CG 4.02Å
183A95.1Very high95.8Very high18 Ų1831.4 Ų31.415%0.14918%0.179CC..Hα-helixtrans-60.2-46.5176.900000112.4I179 F185 G186 Q206 L208I179-A183 VanDerWaalsContact O-CB 3.32Å; I179-A183 WeakPolarHBondContact O-CB 3.25Å; I179-A183 PolarHBondContact O-N 2.69Å; A183-F185 VanDerWaalsContact C-N 3.26Å; A183-F185 PolarHBondContact O-N 3.17Å; A183-G186 PolarHBondContact O-N 2.81Å; A183-Q206 HydrophobicContact CB-CB 3.78Å; A183-Q206 VanDerWaalsContact CB-CD 3.49Å; A183-Q206 HydrophobicContact CB-CG 4.22Å; A183-L208 HydrophobicContact CB-CD1 4.38Å; A183-L208 HydrophobicContact CB-CD2 3.71Å
184R95.7Very high95.9Very high183 Ų18335.1 Ų35.169%0.69120%0.196SC*.Hα-helixtrans-61.9-30.5175.6-80.6177.1-73.1141-0.3113.6D180 S181 A182 G186D180-R184 WeakPolarHBondContact O-CB 3.39Å; D180-R184 VanDerWaalsContact O-CG 3.31Å; D180-R184 WeakPolarHBondContact O-CG 3.48Å; D180-R184 PolarHBondContact O-N 2.7Å; D180-R184 VanDerWaalsContact O-N 3.14Å; D180-R184 PolarHBondContact O-NE 2.76Å; S181-R184 VanDerWaalsContact CA-NH2 3.32Å; S181-R184 PolarHBondContact O-N 3.35Å; S181-R184 PolarHBondContact OG-NH2 3.5Å; A182-R184 PolarHBondContact O-N 3.26Å; R184-G186 VanDerWaalsContact C-N 3.28Å
185F96.4Very high96Very high79 Ų7936.1 Ų36.135%0.34620%0.195SC..Hα-helixtrans-73.8-21175-170.2-95000112.8I124 W130 S181 A182 A183 V187I124-F185 HydrophobicContact CB-CD2 4.48Å; I124-F185 HydrophobicContact CD1-CB 3.7Å; I124-F185 HydrophobicContact CD1-CD1 3.76Å; I124-F185 HydrophobicContact CD1-CD2 4.47Å; I124-F185 HydrophobicContact CD1-CG 3.73Å; I124-F185 HydrophobicContact CG1-CB 4.11Å; I124-F185 HydrophobicContact CG1-CD1 3.87Å; I124-F185 HydrophobicContact CG1-CD2 3.97Å; I124-F185 HydrophobicContact CG1-CE1 4.27Å; I124-F185 HydrophobicContact CG1-CE2 4.36Å; I124-F185 HydrophobicContact CG1-CG 3.71Å; I124-F185 HydrophobicContact CG2-CB 4.04Å; I124-F185 HydrophobicContact CG2-CD2 4.19Å; I124-F185 HydrophobicContact CG2-CG 4.25Å; W130-F185 AromaticContact CD1-CE1 3.72Å; W130-F185 AromaticContact CD1-CZ 3.76Å; W130-F185 AromaticContact CD2-CE1 3.51Å; W130-F185 HydrophobicContact CD2-CE1 3.51Å; W130-F185 HydrophobicContact CD2-CZ 4.03Å; W130-F185 AromaticContact CE2-CE1 3.48Å; W130-F185 VanDerWaalsContact CE2-CE1 3.48Å; W130-F185 AromaticContact CE2-CZ 3.5Å; W130-F185 VanDerWaalsContact CE2-CZ 3.5Å; W130-F185 HydrophobicContact CE3-CE1 4.12Å; W130-F185 HydrophobicContact CG-CD1 4.4Å; W130-F185 AromaticContact CG-CE1 3.68Å; W130-F185 HydrophobicContact CG-CE1 3.68Å; W130-F185 HydrophobicContact CG-CZ 4.18Å; W130-F185 HydrophobicContact CZ2-CE1 4.04Å; W130-F185 AromaticContact CZ2-CZ 3.94Å; W130-F185 HydrophobicContact CZ2-CZ 3.94Å; W130-F185 AromaticContact NE1-CE1 3.6Å; W130-F185 AromaticContact NE1-CZ 3.32Å; W130-F185 VanDerWaalsContact NE1-CZ 3.32Å; S181-F185 PolarHBondContact O-N 3.21Å; A182-F185 WeakPolarHBondContact O-CB 3.25Å; A182-F185 PolarHBondContact O-N 3.38Å; A183-F185 VanDerWaalsContact C-N 3.26Å; A183-F185 PolarHBondContact O-N 3.17Å; F185-V187 HydrophobicContact CD1-CG1 4.05Å
186G95.2Very high96Very high39 Ų3937.9 Ų37.940%0.40221%0.207SC..THydrogen-bonded Turntrans8443.9175.600000114.2R167 A182 A183 R184R167-G186 PolarHBondContact NH1-O 3.39Å; R167-G186 VanDerWaalsContact NH1-O 3.13Å; A182-G186 PolarHBondContact O-N 3.19Å; A183-G186 PolarHBondContact O-N 2.81Å; R184-G186 VanDerWaalsContact C-N 3.28Å
187V97.1Very high96.1Very high8 Ų842.5 Ų42.55%0.04823%0.228CC..  trans-84.4155.4166.1-64.80000111.4I124 W130 R167 A169 A182 F185 A189I124-V187 HydrophobicContact CD1-CG1 4.45Å; W130-V187 HydrophobicContact CB-CG1 4.27Å; R167-V187 HydrophobicContact CB-CB 4.49Å; R167-V187 HydrophobicContact CB-CG1 4.45Å; A169-V187 HydrophobicContact CB-CB 4.46Å; A169-V187 HydrophobicContact CB-CG1 4.01Å; A169-V187 HydrophobicContact CB-CG2 3.9Å; A182-V187 HydrophobicContact CB-CG2 3.96Å; A182-V187 WeakPolarHBondContact O-CG2 3.35Å; F185-V187 HydrophobicContact CD1-CG1 4.05Å; V187-A189 WeakPolarHBondContact CG2-O 3.49Å
188D97.6Very high96.1Very high39 Ų3944.2 Ų44.221%0.20923%0.226CC..SBendtrans-78.2-26.1178.5-54-37.4000111.9P162 V165 Q166 R167 H209P162-D188 HydrophobicContact CG-CB 3.65Å; V165-D188 HydrophobicContact CB-CB 4.39Å; V165-D188 HydrophobicContact CG1-CB 4.04Å; V165-D188 HydrophobicContact CG2-CB 4.47Å; Q166-D188 PolarHBondContact N-OD2 2.74Å; R167-D188 PolarHBondContact N-OD2 3.24Å; R167-D188 WeakPolarHBondContact O-CB 3.49Å; R167-D188 PolarHBondContact O-N 2.87Å; D188-H209 PolarHBondContact O-N 2.81Å
189A97.7Very high96Very high0 Ų042.1 Ų42.10%022%0.218CC..EExtended strand (participates in β ladder)trans-146.8146.9-176.500000113.7L142 V165 R167 V168 A169 V187 H209 Y211L142-A189 HydrophobicContact CD2-CB 4.46Å; V165-A189 HydrophobicContact CG1-CB 3.52Å; V165-A189 HydrophobicContact CG2-CB 4.4Å; R167-A189 PolarHBondContact O-N 3.39Å; V168-A189 WeakPolarHBondContact CA-O 3.37Å; V168-A189 HydrophobicContact CG1-CB 4.1Å; V168-A189 HydrophobicContact CG2-CB 4.21Å; A169-A189 PolarHBondContact N-O 3.08Å; V187-A189 WeakPolarHBondContact CG2-O 3.49Å; A189-H209 CarbonylContact C-O 3.48Å; A189-H209 VanDerWaalsContact CA-O 3.23Å; A189-H209 WeakPolarHBondContact CA-O 3.42Å; A189-H209 HydrophobicContact CB-CB 4Å; A189-Y211 HydrophobicContact CB-CD2 4.4Å; A189-Y211 HydrophobicContact CB-CE2 3.76Å
190F97.7Very high95.9Very high0 Ų043.4 Ų43.40%022%0.224CC..EExtended strand (participates in β ladder)trans-121.5128.1168.9-174.2-119.4000111.6V128 A169 C171 G175 F178 I179 A182 T192 L208 H209 F210 Y211V128-F190 HydrophobicContact CG1-CE2 4.12Å; A169-F190 HydrophobicContact CB-CD2 3.93Å; A169-F190 HydrophobicContact CB-CE2 4.46Å; A169-F190 CarbonylContact O-C 3.58Å; A169-F190 VanDerWaalsContact O-CA 3.3Å; A169-F190 WeakPolarHBondContact O-CA 3.26Å; A169-F190 WeakPolarHBondContact O-CD2 3.24Å; C171-F190 HydrophobicContact CB-CE2 4.42Å; C171-F190 HydrophobicContact CB-CZ 4.16Å; G175-F190 WeakPolarHBondContact O-CZ 3.4Å; F178-F190 HydrophobicContact CB-CE2 4.41Å; F178-F190 HydrophobicContact CB-CZ 3.86Å; I179-F190 HydrophobicContact CB-CD1 3.8Å; I179-F190 HydrophobicContact CB-CE1 4.14Å; I179-F190 HydrophobicContact CG1-CB 4.44Å; I179-F190 HydrophobicContact CG1-CD1 3.96Å; I179-F190 HydrophobicContact CG1-CG 4.49Å; A182-F190 HydrophobicContact CB-CB 4.22Å; A182-F190 HydrophobicContact CB-CD2 3.66Å; A182-F190 HydrophobicContact CB-CE2 4.28Å; A182-F190 HydrophobicContact CB-CG 4.02Å; F190-T192 HydrophobicContact CE1-CG2 4.12Å; F190-L208 HydrophobicContact CB-CD1 3.84Å; F190-H209 PolarHBondContact N-O 2.78Å; F190-F210 AromaticContact CD1-CD2 3.98Å; F190-F210 HydrophobicContact CD1-CD2 3.98Å; F190-F210 AromaticContact CD1-CE2 3.98Å; F190-F210 HydrophobicContact CD1-CE2 3.98Å; F190-F210 HydrophobicContact CE1-CE2 4.45Å; F190-F210 WeakPolarHBondContact O-CA 3.48Å; F190-Y211 PolarHBondContact O-N 3.12Å
191I97.6Very high95.8Very high0 Ų044.9 Ų44.90%023%0.229CC..EExtended strand (participates in β ladder)trans-115.5128.8-179.6-53172.2000110.1L116 I146 V168 A169 W170 C171 Y211 A213L116-I191 HydrophobicContact CD1-CD1 3.71Å; I146-I191 HydrophobicContact CD1-CD1 3.82Å; I146-I191 HydrophobicContact CD1-CG1 4.2Å; I146-I191 HydrophobicContact CD1-CG2 4.36Å; V168-I191 HydrophobicContact CG1-CD1 3.64Å; V168-I191 HydrophobicContact CG1-CG1 3.9Å; A169-I191 PolarHBondContact O-N 3.47Å; W170-I191 CarbonylContact C-O 3.49Å; W170-I191 WeakPolarHBondContact CA-O 3.48Å; W170-I191 HydrophobicContact CB-CB 3.91Å; W170-I191 VanDerWaalsContact CB-O 3.31Å; W170-I191 WeakPolarHBondContact CB-O 3.18Å; C171-I191 PolarHBondContact N-O 2.84Å; I191-Y211 HydrophobicContact CG1-CD2 3.83Å; I191-Y211 HydrophobicContact CG1-CG 4.3Å; I191-A213 HydrophobicContact CG2-CB 4.29Å
192T97.5Very high95.7Very high0 Ų044.5 Ų44.50%023%0.227CC..EExtended strand (participates in β ladder)trans-146.9179.6172.3-169.20000111.6C171 G173 G175 Q176 F190 E194 F210 Y211 A212 A213C171-T192 VanDerWaalsContact O-CA 3.22Å; C171-T192 WeakPolarHBondContact O-CA 3.32Å; C171-T192 VanDerWaalsContact O-CB 3.27Å; C171-T192 WeakPolarHBondContact O-CB 3.28Å; C171-T192 PolarHBondContact O-OG1 2.82Å; G173-T192 PolarHBondContact O-OG1 3.03Å; G175-T192 WeakPolarHBondContact CA-OG1 3.42Å; G175-T192 PolarHBondContact N-OG1 2.66Å; G175-T192 VanDerWaalsContact N-OG1 3.15Å; Q176-T192 HydrophobicContact CB-CG2 4.03Å; F190-T192 HydrophobicContact CE1-CG2 4.12Å; T192-E194 WeakPolarHBondContact CG2-O 3.32Å; T192-F210 HydrophobicContact CG2-CE2 3.7Å; T192-F210 HydrophobicContact CG2-CZ 3.84Å; T192-Y211 PolarHBondContact N-O 3.43Å; T192-Y211 VanDerWaalsContact O-O 3.11Å; T192-A212 CarbonylContact O-C 3.33Å; T192-A212 WeakPolarHBondContact O-CA 3.42Å; T192-A213 PolarHBondContact O-N 3.05Å
193G94.9Very high95.7Very high6 Ų644.5 Ų44.56%0.06223%0.227CC..SBendtrans-84.1-31.6179.500000114.4G173 G214 H215G173-G193 WeakPolarHBondContact O-CA 3.35Å; G173-G193 PolarHBondContact O-N 3.36Å; G193-G214 VanDerWaalsContact CA-C 3.45Å; G193-G214 CarbonylContact O-C 3.59Å; G193-G214 VanDerWaalsContact O-C 3.28Å; G193-G214 WeakPolarHBondContact O-CA 3.33Å; G193-G214 PolarHBondContact O-N 3Å; G193-H215 PolarHBondContact O-N 2.93Å
194E95.5Very high95.6Very high77 Ų7749 Ų4936%0.3624%0.24SC..  trans-114.6164.6-172.8-62.6-168165.600113.4G173 Q176 T192 F210 H215G173-E194 PolarHBondContact O-N 2.96Å; Q176-E194 VanDerWaalsContact OE1-CB 3.25Å; T192-E194 WeakPolarHBondContact CG2-O 3.32Å; E194-F210 WeakPolarHBondContact O-CZ 3.42Å; E194-H215 HydrophobicContact CG-CB 4.03Å; E194-H215 IonicContact OE1-CE1 3.91Å; E194-H215 IonicContact OE1-CG 3.16Å; E194-H215 IonicContact OE1-ND1 3.23Å; E194-H215 PolarHBondContact OE1-ND1 2.82Å
195V95.1Very high95.6Very high60 Ų6047.7 Ų47.736%0.36424%0.241SC..  trans-138141.8175.556.60000110.2L155 Q176 I200 F210 A212L155-V195 HydrophobicContact CD1-CG1 4.37Å; L155-V195 HydrophobicContact CD2-CG2 4.27Å; Q176-V195 PolarHBondContact OE1-O 3.19Å; V195-I200 HydrophobicContact CG2-CD1 3.77Å; V195-I200 HydrophobicContact CG2-CG1 3.96Å; V195-F210 HydrophobicContact CB-CE1 3.94Å; V195-F210 HydrophobicContact CB-CZ 4.27Å; V195-F210 HydrophobicContact CG2-CE1 3.73Å; V195-F210 HydrophobicContact CG2-CZ 4.36Å; V195-A212 HydrophobicContact CB-CB 3.71Å; V195-A212 HydrophobicContact CG1-CB 4.09Å
196S94.3Very high95.5Very high40 Ų4047.7 Ų47.728%0.2824%0.242SC..  trans-121.8168.8166.575.50000110.3Q198 T199S196-Q198 VanDerWaalsContact C-N 3.3Å; S196-Q198 PolarHBondContact O-N 3.45Å; S196-Q198 PolarHBondContact OG-N 3.3Å; S196-T199 PolarHBondContact N-OG1 3.17Å; S196-T199 PolarHBondContact O-N 3.35Å; S196-T199 PolarHBondContact O-OG1 2.94Å; S196-T199 PolarHBondContact OG-N 2.96Å
197E94.9Very high95.5Very high138 Ų13847.3 Ų47.365%0.64524%0.238SC*.Hα-helixtrans-59.8-44173.4170.5-87.8175.900110.9T199 I200 H201E197-T199 VanDerWaalsContact C-N 3.31Å; E197-T199 PolarHBondContact O-N 3.48Å; E197-I200 PolarHBondContact O-N 2.72Å; E197-I200 VanDerWaalsContact O-N 3.12Å; E197-H201 PolarHBondContact O-CD2 2.72Å; E197-H201 VanDerWaalsContact O-CD2 3.3Å; E197-H201 PolarHBondContact O-N 2.84Å; E197-H201 IonicContact OE1-CD2 2.78Å; E197-H201 PolarHBondContact OE1-CD2 3.25Å; E197-H201 IonicContact OE1-NE2 3.67Å; E197-H201 PolarHBondContact OE1-NE2 3.5Å
198Q94.2Very high95.3Very high122 Ų12247 Ų4757%0.5724%0.237SC*.Hα-helixtrans-56.1-40.1176-173.8-179.8-4.500112.9S196 I200 H201 S202S196-Q198 VanDerWaalsContact C-N 3.3Å; S196-Q198 PolarHBondContact O-N 3.45Å; S196-Q198 PolarHBondContact OG-N 3.3Å; Q198-I200 VanDerWaalsContact C-N 3.28Å; Q198-I200 PolarHBondContact O-N 3.11Å; Q198-H201 PolarHBondContact O-N 3.21Å; Q198-S202 PolarHBondContact O-N 2.94Å; Q198-S202 PolarHBondContact O-OG 3.34Å
199T93.9Very high95.3Very high4 Ų445.6 Ų45.63%0.02523%0.229CC..Hα-helixtrans-66.7-29.8-179.357.50000113Q176 I179 S196 E197 A203Q176-T199 HydrophobicContact CB-CG2 3.73Å; Q176-T199 HydrophobicContact CG-CG2 4.04Å; Q176-T199 VanDerWaalsContact O-CG2 3.28Å; Q176-T199 WeakPolarHBondContact O-CG2 3.2Å; I179-T199 VanDerWaalsContact CD1-O 3.25Å; I179-T199 WeakPolarHBondContact CD1-O 3.45Å; I179-T199 HydrophobicContact CG2-CG2 4.08Å; S196-T199 PolarHBondContact N-OG1 3.17Å; S196-T199 PolarHBondContact O-N 3.35Å; S196-T199 PolarHBondContact O-OG1 2.94Å; S196-T199 PolarHBondContact OG-N 2.96Å; E197-T199 VanDerWaalsContact C-N 3.31Å; E197-T199 PolarHBondContact O-N 3.48Å; T199-A203 WeakPolarHBondContact O-CB 3.43Å; T199-A203 PolarHBondContact O-N 3.46Å
200I94.2Very high95.3Very high29 Ų2945.6 Ų45.615%0.14923%0.229CC..Hα-helixtrans-69.4-40174.7-59.3-59.5000111.1L155 C157 V195 E197 Q198 R204 F210L155-I200 HydrophobicContact CD2-CD1 3.79Å; C157-I200 HydrophobicContact CB-CD1 3.96Å; V195-I200 HydrophobicContact CG2-CD1 3.77Å; V195-I200 HydrophobicContact CG2-CG1 3.96Å; E197-I200 PolarHBondContact O-N 2.72Å; E197-I200 VanDerWaalsContact O-N 3.12Å; Q198-I200 VanDerWaalsContact C-N 3.28Å; Q198-I200 PolarHBondContact O-N 3.11Å; I200-R204 WeakPolarHBondContact O-CG 3.25Å; I200-R204 PolarHBondContact O-N 2.6Å; I200-R204 VanDerWaalsContact O-N 3.14Å; I200-F210 HydrophobicContact CD1-CD1 4.1Å; I200-F210 HydrophobicContact CD1-CE1 4.36Å
201H94.6Very high95.3Very high78 Ų7845.6 Ų45.636%0.36123%0.229SC..Hα-helixtrans-62.9-49.5173.7-74.7-71.5000111.5E197 Q198 A203 R204 E205E197-H201 PolarHBondContact O-CD2 2.72Å; E197-H201 VanDerWaalsContact O-CD2 3.3Å; E197-H201 PolarHBondContact O-N 2.84Å; E197-H201 IonicContact OE1-CD2 2.78Å; E197-H201 PolarHBondContact OE1-CD2 3.25Å; E197-H201 IonicContact OE1-NE2 3.67Å; E197-H201 PolarHBondContact OE1-NE2 3.5Å; Q198-H201 PolarHBondContact O-N 3.21Å; H201-A203 VanDerWaalsContact C-N 3.32Å; H201-A203 PolarHBondContact O-N 2.77Å; H201-R204 PolarHBondContact O-N 2.85Å; H201-E205 IonicContact ND1-OE1 3.3Å; H201-E205 WeakPolarHBondContact O-CB 3.44Å; H201-E205 WeakPolarHBondContact O-CG 3.46Å; H201-E205 PolarHBondContact O-N 3.02Å
202S94.9Very high95.3Very high14 Ų1445.7 Ų45.710%0.09823%0.23CC..Hα-helixtrans-55.7-44.1176.4-73.10000112.6D180 Q198 Q206D180-S202 WeakPolarHBondContact OD1-CB 3.42Å; D180-S202 PolarHBondContact OD1-OG 2.86Å; Q198-S202 PolarHBondContact O-N 2.94Å; Q198-S202 PolarHBondContact O-OG 3.34Å; S202-Q206 VanDerWaalsContact O-CB 3.23Å; S202-Q206 WeakPolarHBondContact O-CB 3.39Å; S202-Q206 WeakPolarHBondContact O-CG 3.29Å; S202-Q206 PolarHBondContact O-N 3.38Å; S202-Q206 PolarHBondContact O-NE2 3.37Å
203A95.1Very high95.2Very high0 Ų045.7 Ų45.70%023%0.23CC..Hα-helixtrans-61.3-49.617800000112.2I179 T199 H201 G207 L208 F210I179-A203 HydrophobicContact CD1-CB 3.94Å; T199-A203 WeakPolarHBondContact O-CB 3.43Å; T199-A203 PolarHBondContact O-N 3.46Å; H201-A203 VanDerWaalsContact C-N 3.32Å; H201-A203 PolarHBondContact O-N 2.77Å; A203-G207 PolarHBondContact O-N 3.46Å; A203-G207 VanDerWaalsContact O-N 3.08Å; A203-L208 PolarHBondContact O-N 3.06Å; A203-F210 HydrophobicContact CB-CB 3.63Å
204R94.4Very high95.2Very high114 Ų11445.7 Ų45.743%0.4323%0.23SC..Hα-helixtrans-65.3-46.3-177.9-75.4175.8169.5156.8-1.6112.4D159 T160 I200 H201D159-R204 IonicContact OD2-CZ 3.33Å; D159-R204 VanDerWaalsContact OD2-CZ 3.23Å; D159-R204 IonicContact OD2-NE 3.19Å; D159-R204 PolarHBondContact OD2-NE 2.75Å; D159-R204 IonicContact OD2-NH2 2.67Å; D159-R204 PolarHBondContact OD2-NH2 3.05Å; T160-R204 WeakPolarHBondContact CB-O 3.39Å; T160-R204 WeakPolarHBondContact CG2-O 3.34Å; T160-R204 VanDerWaalsContact OG1-CA 3.29Å; T160-R204 WeakPolarHBondContact OG1-CA 3.39Å; T160-R204 PolarHBondContact OG1-O 3.15Å; I200-R204 WeakPolarHBondContact O-CG 3.25Å; I200-R204 PolarHBondContact O-N 2.6Å; I200-R204 VanDerWaalsContact O-N 3.14Å; H201-R204 PolarHBondContact O-N 2.85Å
205E94.6Very high95.1Very high154 Ų15445 Ų4572%0.7223%0.226SC*.Hα-helixtrans-78.7-23.9-173.3-66.4176.5-155.400112.6H201H201-E205 IonicContact ND1-OE1 3.3Å; H201-E205 WeakPolarHBondContact O-CB 3.44Å; H201-E205 WeakPolarHBondContact O-CG 3.46Å; H201-E205 PolarHBondContact O-N 3.02Å
206Q95Very high94.8Very high79 Ų7946.5 Ų46.537%0.36923%0.229SC..Hα-helixtrans-101.1-0.2177.4-6217591.400114.1D180 A183 S202 L208D180-Q206 PolarHBondContact OD1-NE2 3.19Å; A183-Q206 HydrophobicContact CB-CB 3.78Å; A183-Q206 VanDerWaalsContact CB-CD 3.49Å; A183-Q206 HydrophobicContact CB-CG 4.22Å; S202-Q206 VanDerWaalsContact O-CB 3.23Å; S202-Q206 WeakPolarHBondContact O-CB 3.39Å; S202-Q206 WeakPolarHBondContact O-CG 3.29Å; S202-Q206 PolarHBondContact O-N 3.38Å; S202-Q206 PolarHBondContact O-NE2 3.37Å; Q206-L208 HydrophobicContact CB-CD2 3.79Å
207G94Very high94.7Very high31 Ų3144.9 Ų44.932%0.3222%0.218SC..THydrogen-bonded Turntrans73.738.2168.800000115.1T160 A203T160-G207 CarbonylContact O-C 3.49Å; T160-G207 WeakPolarHBondContact O-CA 3.48Å; A203-G207 PolarHBondContact O-N 3.46Å; A203-G207 VanDerWaalsContact O-N 3.08Å
208L94.6Very high94.7Very high3 Ų338.5 Ų38.52%0.01619%0.189CC..  trans-125.3156.4176.171.1156.8000111.8I179 A183 F190 A203 Q206I179-L208 HydrophobicContact CG1-CD1 4.25Å; A183-L208 HydrophobicContact CB-CD1 4.38Å; A183-L208 HydrophobicContact CB-CD2 3.71Å; F190-L208 HydrophobicContact CB-CD1 3.84Å; A203-L208 PolarHBondContact O-N 3.06Å; Q206-L208 HydrophobicContact CB-CD2 3.79Å
209H97.3Very high94.7Very high8 Ų832.9 Ų32.94%0.03716%0.162CC..EExtended strand (participates in β ladder)trans-74.3142.1168-67.8-80.4000111.2W156 C157 G158 P162 V165 D188 A189 F190 Y211W156-H209 AromaticContact CE2-ND1 3.72Å; W156-H209 AromaticContact CZ2-CE1 3.86Å; W156-H209 AromaticContact CZ2-ND1 3.72Å; W156-H209 AromaticContact NE1-CG 3.93Å; W156-H209 AromaticContact NE1-ND1 3.16Å; W156-H209 PolarHBondContact NE1-ND1 3.37Å; W156-H209 VanDerWaalsContact NE1-ND1 3.16Å; C157-H209 CarbonylContact O-C 3.5Å; C157-H209 WeakPolarHBondContact O-CA 3.48Å; G158-H209 WeakPolarHBondContact CA-ND1 3.33Å; P162-H209 PolarHBondContact O-NE2 3.29Å; V165-H209 WeakPolarHBondContact CG2-CD2 3.4Å; D188-H209 PolarHBondContact O-N 2.81Å; A189-H209 CarbonylContact C-O 3.48Å; A189-H209 VanDerWaalsContact CA-O 3.23Å; A189-H209 WeakPolarHBondContact CA-O 3.42Å; A189-H209 HydrophobicContact CB-CB 4Å; F190-H209 PolarHBondContact N-O 2.78Å; H209-Y211 HydrophobicContact CB-CE2 3.54Å
210F97.4Very high94.7Very high0 Ų038.5 Ų38.50%018%0.183CC..EExtended strand (participates in β ladder)trans-125135.9173.8174.3-99000111W156 C157 I179 F190 T192 E194 V195 I200 A203 A212W156-F210 WeakPolarHBondContact CA-O 3.43Å; C157-F210 HydrophobicContact CB-CB 4.33Å; C157-F210 PolarHBondContact N-O 3.46Å; C157-F210 PolarHBondContact O-N 3.17Å; I179-F210 HydrophobicContact CD1-CB 4.29Å; I179-F210 HydrophobicContact CD1-CD2 3.59Å; I179-F210 HydrophobicContact CD1-CE2 4.19Å; I179-F210 HydrophobicContact CD1-CG 4.14Å; I179-F210 HydrophobicContact CG1-CD2 4.39Å; F190-F210 AromaticContact CD1-CD2 3.98Å; F190-F210 HydrophobicContact CD1-CD2 3.98Å; F190-F210 AromaticContact CD1-CE2 3.98Å; F190-F210 HydrophobicContact CD1-CE2 3.98Å; F190-F210 HydrophobicContact CE1-CE2 4.45Å; F190-F210 WeakPolarHBondContact O-CA 3.48Å; T192-F210 HydrophobicContact CG2-CE2 3.7Å; T192-F210 HydrophobicContact CG2-CZ 3.84Å; E194-F210 WeakPolarHBondContact O-CZ 3.42Å; V195-F210 HydrophobicContact CB-CE1 3.94Å; V195-F210 HydrophobicContact CB-CZ 4.27Å; V195-F210 HydrophobicContact CG2-CE1 3.73Å; V195-F210 HydrophobicContact CG2-CZ 4.36Å; I200-F210 HydrophobicContact CD1-CD1 4.1Å; I200-F210 HydrophobicContact CD1-CE1 4.36Å; A203-F210 HydrophobicContact CB-CB 3.63Å; F210-A212 HydrophobicContact CE1-CB 3.87Å; F210-A212 HydrophobicContact CZ-CB 4.17Å
211Y97.5Very high94.5Very high0 Ų038.1 Ų38.10%019%0.186CC..EExtended strand (participates in β ladder)trans-129.4115.9179.1-52.9-95.6000110.8G139 L142 A143 I146 L155 W156 A189 F190 I191 T192 H209G139-Y211 WeakPolarHBondContact CA-OH 3.26Å; G139-Y211 WeakPolarHBondContact O-CE1 3.47Å; G139-Y211 PolarHBondContact O-OH 3.08Å; L142-Y211 HydrophobicContact CB-CE1 4.27Å; L142-Y211 HydrophobicContact CD2-CE2 3.8Å; L142-Y211 HydrophobicContact CG-CE1 4.3Å; L142-Y211 HydrophobicContact CG-CE2 4.39Å; A143-Y211 HydrophobicContact CB-CD1 4.16Å; A143-Y211 HydrophobicContact CB-CE1 3.88Å; I146-Y211 HydrophobicContact CD1-CD1 3.74Å; I146-Y211 HydrophobicContact CD1-CD2 4.38Å; I146-Y211 HydrophobicContact CD1-CE1 4.39Å; I146-Y211 HydrophobicContact CD1-CG 3.74Å; L155-Y211 WeakPolarHBondContact O-CA 3.28Å; W156-Y211 HydrophobicContact CB-CD1 4.17Å; W156-Y211 HydrophobicContact CB-CE1 4.33Å; W156-Y211 AromaticContact CD1-CD1 3.54Å; W156-Y211 AromaticContact CD1-CE1 3.08Å; W156-Y211 AromaticContact CD1-CZ 3.49Å; W156-Y211 VanDerWaalsContact CD1-CZ 3.49Å; W156-Y211 HydrophobicContact CG-CD1 4.08Å; W156-Y211 AromaticContact CG-CE1 3.77Å; W156-Y211 HydrophobicContact CG-CE1 3.77Å; W156-Y211 AromaticContact NE1-CE1 3.48Å; W156-Y211 AromaticContact NE1-CZ 3.49Å; W156-Y211 PolarHBondContact NE1-OH 2.93Å; A189-Y211 HydrophobicContact CB-CD2 4.4Å; A189-Y211 HydrophobicContact CB-CE2 3.76Å; F190-Y211 PolarHBondContact O-N 3.12Å; I191-Y211 HydrophobicContact CG1-CD2 3.83Å; I191-Y211 HydrophobicContact CG1-CG 4.3Å; T192-Y211 PolarHBondContact N-O 3.43Å; T192-Y211 VanDerWaalsContact O-O 3.11Å; H209-Y211 HydrophobicContact CB-CE2 3.54Å
212A97.2Very high94.5Very high3 Ų334.4 Ų34.43%0.02517%0.169CC..EExtended strand (participates in β ladder)trans-96.391.9167.900000110.5R152 P154 L155 T192 V195 F210 G214R152-A212 PolarHBondContact NH1-O 3.29Å; P154-A212 WeakPolarHBondContact CA-O 3.29Å; L155-A212 HydrophobicContact CB-CB 4.27Å; L155-A212 PolarHBondContact N-O 3.2Å; L155-A212 PolarHBondContact O-N 3.4Å; T192-A212 CarbonylContact O-C 3.33Å; T192-A212 WeakPolarHBondContact O-CA 3.42Å; V195-A212 HydrophobicContact CB-CB 3.71Å; V195-A212 HydrophobicContact CG1-CB 4.09Å; F210-A212 HydrophobicContact CE1-CB 3.87Å; F210-A212 HydrophobicContact CZ-CB 4.17Å; A212-G214 VanDerWaalsContact C-N 3.31Å; A212-G214 PolarHBondContact O-N 3.16Å
213A95.9Very high94.5Very high0 Ų034.1 Ų34.10%017%0.166CC..  trans-80.4-8.4-172.200000114.2I146 L150 R152 P154 I191 T192 T218I146-A213 HydrophobicContact CG2-CB 3.72Å; L150-A213 HydrophobicContact CD1-CB 3.73Å; R152-A213 VanDerWaalsContact NH1-C 3.27Å; R152-A213 PolarHBondContact NH1-O 3.37Å; P154-A213 HydrophobicContact CB-CB 4.48Å; I191-A213 HydrophobicContact CG2-CB 4.29Å; T192-A213 PolarHBondContact O-N 3.05Å; A213-T218 HydrophobicContact CB-CG2 3.77Å
214G93.9Very high94.3Very high6 Ų639 Ų396%0.06219%0.185CC..  trans99.4121.5178.600000112.2G193 A212 H216 A217 T218G193-G214 VanDerWaalsContact CA-C 3.45Å; G193-G214 CarbonylContact O-C 3.59Å; G193-G214 VanDerWaalsContact O-C 3.28Å; G193-G214 WeakPolarHBondContact O-CA 3.33Å; G193-G214 PolarHBondContact O-N 3Å; A212-G214 VanDerWaalsContact C-N 3.31Å; A212-G214 PolarHBondContact O-N 3.16Å; G214-H216 PolarHBondContact O-N 3.09Å; G214-A217 WeakPolarHBondContact O-CA 3.36Å; G214-A217 WeakPolarHBondContact O-CB 3.25Å; G214-A217 PolarHBondContact O-N 2.88Å; G214-T218 PolarHBondContact O-N 3.06Å; G214-T218 PolarHBondContact O-OG1 2.76Å
215H93.4Very high94.3Very high61 Ų6133.9 Ų33.928%0.28217%0.167SC..Hα-helixtrans-45-66.1-177.5-169.6133.5000112.9H64 G193 E194 A217 T218 E219H64-H215 AromaticContact CE1-CD2 3.98Å; H64-H215 AromaticContact CE1-NE2 3.44Å; H64-H215 PolarHBondContact CE1-NE2 3.46Å; H64-H215 AromaticContact NE2-NE2 3.81Å; G193-H215 PolarHBondContact O-N 2.93Å; E194-H215 HydrophobicContact CG-CB 4.03Å; E194-H215 IonicContact OE1-CE1 3.91Å; E194-H215 IonicContact OE1-CG 3.16Å; E194-H215 IonicContact OE1-ND1 3.23Å; E194-H215 PolarHBondContact OE1-ND1 2.82Å; H215-A217 PolarHBondContact O-N 2.87Å; H215-A217 VanDerWaalsContact O-N 3.14Å; H215-T218 PolarHBondContact O-N 3.24Å; H215-T218 VanDerWaalsContact O-N 3.16Å; H215-T218 PolarHBondContact O-OG1 2.89Å; H215-E219 VanDerWaalsContact CD2-CD 3.42Å; H215-E219 IonicContact CD2-OE1 3.65Å; H215-E219 PolarHBondContact CD2-OE1 2.86Å; H215-E219 IonicContact CD2-OE2 3.76Å; H215-E219 PolarHBondContact CD2-OE2 3.37Å; H215-E219 IonicContact NE2-OE1 3.5Å; H215-E219 PolarHBondContact NE2-OE1 2.79Å; H215-E219 IonicContact NE2-OE2 3.13Å; H215-E219 PolarHBondContact NE2-OE2 3.41Å; H215-E219 PolarHBondContact O-N 3.24Å
216H90.6Very high94.3Very high92 Ų9226.5 Ų26.543%0.42613%0.132SC..Hα-helixtrans-65.9-18.4178.6-172.7-67.2000113.3G214 R220G214-H216 PolarHBondContact O-N 3.09Å; H216-R220 PolarHBondContact ND1-NE 2.88Å; H216-R220 WeakPolarHBondContact O-CG 3.13Å; H216-R220 PolarHBondContact O-NE 3.01Å
217A90.5Very high94.1Very high6 Ų623.6 Ų23.65%0.0512%0.12CC..Hα-helixtrans-75.4-40.7175.900000110.7L150 R152 G214 H215 E219L150-A217 HydrophobicContact CB-CB 4.37Å; R152-A217 HydrophobicContact CB-CB 4.5Å; G214-A217 WeakPolarHBondContact O-CA 3.36Å; G214-A217 WeakPolarHBondContact O-CB 3.25Å; G214-A217 PolarHBondContact O-N 2.88Å; H215-A217 PolarHBondContact O-N 2.87Å; H215-A217 VanDerWaalsContact O-N 3.14Å; A217-E219 VanDerWaalsContact C-N 3.34Å; A217-E219 PolarHBondContact O-N 3.48Å
218T95.2Very high93.8Very high4 Ų425.9 Ų25.93%0.02512%0.123CC..Hα-helixtrans-73.9-19.9-17952.60000114.4L112 L150 T172 G173 A213 G214 H215L112-T218 HydrophobicContact CD2-CG2 4.18Å; L150-T218 HydrophobicContact CD1-CG2 4.17Å; T172-T218 VanDerWaalsContact CG2-O 3.31Å; T172-T218 WeakPolarHBondContact CG2-O 3.38Å; G173-T218 PolarHBondContact N-OG1 3.14Å; A213-T218 HydrophobicContact CB-CG2 3.77Å; G214-T218 PolarHBondContact O-N 3.06Å; G214-T218 PolarHBondContact O-OG1 2.76Å; H215-T218 PolarHBondContact O-N 3.24Å; H215-T218 VanDerWaalsContact O-N 3.16Å; H215-T218 PolarHBondContact O-OG1 2.89Å
219E95Very high93.8Very high4 Ų427.6 Ų27.62%0.01913%0.129CC..THydrogen-bonded Turntrans-106.117.9-174.2-64.5167.8165.500114.5V42 H63 H64 N108 G173 H215 A217V42-E219 HydrophobicContact CG1-CB 4.18Å; H63-E219 IonicContact CD2-OE2 3.46Å; H63-E219 IonicContact NE2-OE1 3.53Å; H64-E219 IonicContact CE1-OE2 3.41Å; H64-E219 PolarHBondContact CE1-OE2 2.68Å; H64-E219 IonicContact NE2-OE1 3.87Å; H64-E219 IonicContact NE2-OE2 3.27Å; H64-E219 PolarHBondContact NE2-OE2 3.29Å; N108-E219 WeakPolarHBondContact OD1-CA 3.15Å; N108-E219 PolarHBondContact OD1-O 3.48Å; N108-E219 VanDerWaalsContact OD1-O 3.09Å; G173-E219 WeakPolarHBondContact CA-OE1 3.19Å; H215-E219 VanDerWaalsContact CD2-CD 3.42Å; H215-E219 IonicContact CD2-OE1 3.65Å; H215-E219 PolarHBondContact CD2-OE1 2.86Å; H215-E219 IonicContact CD2-OE2 3.76Å; H215-E219 PolarHBondContact CD2-OE2 3.37Å; H215-E219 IonicContact NE2-OE1 3.5Å; H215-E219 PolarHBondContact NE2-OE1 2.79Å; H215-E219 IonicContact NE2-OE2 3.13Å; H215-E219 PolarHBondContact NE2-OE2 3.41Å; H215-E219 PolarHBondContact O-N 3.24Å; A217-E219 VanDerWaalsContact C-N 3.34Å; A217-E219 PolarHBondContact O-N 3.48Å
220R92.9Very high93.5Very high123 Ų12327.2 Ų27.246%0.46413%0.128SC..Hα-helixtrans-82.2-27.6176.9-53.4-176.6-169.3174.40.8112.5V42 H216 R224V42-R220 HydrophobicContact CG2-CB 4.31Å; V42-R220 HydrophobicContact CG2-CG 3.95Å; H216-R220 PolarHBondContact ND1-NE 2.88Å; H216-R220 WeakPolarHBondContact O-CG 3.13Å; H216-R220 PolarHBondContact O-NE 3.01Å; R220-R224 WeakPolarHBondContact O-CB 3.49Å; R220-R224 PolarHBondContact O-N 2.79Å
221G91.7Very high92.8Very high20 Ų2029.2 Ų29.221%0.20614%0.138CC..Hα-helixtrans-63.5-46.1-170.100000111.9R224 A225G221-R224 PolarHBondContact O-N 2.9Å; G221-A225 WeakPolarHBondContact O-CB 3.25Å; G221-A225 PolarHBondContact O-N 2.99Å
222G94.7Very high92.1Very high0 Ų036.8 Ų36.80%017%0.174CC..Hα-helixtrans-70.3-44.6-170.500000113.4L106 N108 R224 A225 L226L106-G222 WeakPolarHBondContact O-CA 3.21Å; N108-G222 VanDerWaalsContact OD1-CA 3.32Å; N108-G222 WeakPolarHBondContact OD1-CA 3.49Å; N108-G222 PolarHBondContact OD1-N 2.81Å; G222-R224 VanDerWaalsContact C-N 3.26Å; G222-R224 PolarHBondContact O-N 3.03Å; G222-A225 PolarHBondContact O-N 2.97Å; G222-L226 WeakPolarHBondContact O-CB 3.42Å; G222-L226 PolarHBondContact O-N 3.31Å
223I94.4Very high91.6Very high8 Ų841.3 Ų41.34%0.04120%0.197CC..Hα-helixtrans-65.1-34.2177.3-164.266.9000112.1G41 V42 I61 L100 L226 S227G41-I223 WeakPolarHBondContact O-CG1 3.22Å; V42-I223 HydrophobicContact CG2-CG2 4.14Å; I61-I223 HydrophobicContact CG2-CD1 3.93Å; L100-I223 HydrophobicContact CD2-CB 4.19Å; L100-I223 HydrophobicContact CD2-CD1 4.03Å; I223-L226 HydrophobicContact CD1-CD2 4.39Å; I223-S227 WeakPolarHBondContact O-CB 3.11Å; I223-S227 PolarHBondContact O-N 2.79Å
224R90.5Very high91.1Very high103 Ų10342.4 Ų42.439%0.38920%0.204SC..Hα-helixtrans-66.1-48.9174.3179.5-172.9172.4142.312.4111.2R220 G221 G222 L226 S227 E228 R243R220-R224 WeakPolarHBondContact O-CB 3.49Å; R220-R224 PolarHBondContact O-N 2.79Å; G221-R224 PolarHBondContact O-N 2.9Å; G222-R224 VanDerWaalsContact C-N 3.26Å; G222-R224 PolarHBondContact O-N 3.03Å; R224-L226 VanDerWaalsContact C-N 3.3Å; R224-L226 PolarHBondContact O-N 2.67Å; R224-S227 WeakPolarHBondContact O-CB 3.17Å; R224-S227 PolarHBondContact O-N 3.33Å; R224-S227 VanDerWaalsContact O-N 3.1Å; R224-E228 IonicContact CZ-OE1 3.41Å; R224-E228 IonicContact NE-OE1 3.48Å; R224-E228 PolarHBondContact NE-OE1 3.15Å; R224-E228 IonicContact NH2-OE1 2.67Å; R224-E228 PolarHBondContact NH2-OE1 3.16Å; R224-E228 WeakPolarHBondContact O-CG 3.44Å; R224-E228 PolarHBondContact O-N 2.67Å; R224-R243 VanDerWaalsContact NH2-NH2 3.14Å
225A93.9Very high90.2Very high6 Ų650.7 Ų50.75%0.0525%0.247CC..Hα-helixtrans-62-39.3178.900000111.5L106 Q111 G221 G222 S227 E228 W229L106-A225 HydrophobicContact CB-CB 4.34Å; L106-A225 HydrophobicContact CD2-CB 3.99Å; Q111-A225 HydrophobicContact CG-CB 3.98Å; G221-A225 WeakPolarHBondContact O-CB 3.25Å; G221-A225 PolarHBondContact O-N 2.99Å; G222-A225 PolarHBondContact O-N 2.97Å; A225-S227 VanDerWaalsContact C-N 3.35Å; A225-E228 PolarHBondContact O-N 3.19Å; A225-W229 WeakPolarHBondContact O-CB 3.38Å; A225-W229 PolarHBondContact O-N 3.11Å
226L94.8Very high89.3Confident0 Ų048.4 Ų48.40%024%0.237CC..Hα-helixtrans-62.4-41.3172.6-178.362000111.9I10 L14 I61 L100 L106 G222 I223 R224 W229 L230I10-L226 HydrophobicContact CG1-CD1 4.46Å; I10-L226 HydrophobicContact CG2-CD1 4.17Å; I10-L226 HydrophobicContact CG2-CD2 4.12Å; L14-L226 HydrophobicContact CD1-CD2 4.38Å; I61-L226 HydrophobicContact CG2-CD2 4.21Å; L100-L226 HydrophobicContact CD1-CB 4.22Å; L100-L226 HydrophobicContact CD1-CD2 4.32Å; L106-L226 HydrophobicContact CD1-CD1 4.12Å; G222-L226 WeakPolarHBondContact O-CB 3.42Å; G222-L226 PolarHBondContact O-N 3.31Å; I223-L226 HydrophobicContact CD1-CD2 4.39Å; R224-L226 VanDerWaalsContact C-N 3.3Å; R224-L226 PolarHBondContact O-N 2.67Å; L226-W229 HydrophobicContact CD1-CE3 4.03Å; L226-W229 PolarHBondContact O-N 2.88Å; L226-L230 HydrophobicContact CD1-CG 4.48Å; L226-L230 HydrophobicContact CG-CD1 4.24Å; L226-L230 WeakPolarHBondContact O-CB 3.41Å; L226-L230 WeakPolarHBondContact O-CG 3.35Å; L226-L230 PolarHBondContact O-N 3.02Å
227S90.4Very high87.7Confident17 Ų1748.9 Ų48.912%0.11924%0.243CC..Hα-helixtrans-63.5-41.3176-165.80000112.5T40 I223 R224 A225 N231T40-S227 PolarHBondContact OG1-OG 2.76Å; I223-S227 WeakPolarHBondContact O-CB 3.11Å; I223-S227 PolarHBondContact O-N 2.79Å; R224-S227 WeakPolarHBondContact O-CB 3.17Å; R224-S227 PolarHBondContact O-N 3.33Å; R224-S227 VanDerWaalsContact O-N 3.1Å; A225-S227 VanDerWaalsContact C-N 3.35Å; S227-N231 VanDerWaalsContact O-CG 3.28Å; S227-N231 PolarHBondContact O-N 3.24Å; S227-N231 VanDerWaalsContact O-N 3.15Å; S227-N231 PolarHBondContact O-ND2 3Å; S227-N231 VanDerWaalsContact O-ND2 3.17Å
228E88.6Confident85.9Confident80 Ų8049.2 Ų49.237%0.37425%0.246SC..Hα-helixtrans-65.3-46.5176.7-71.8169.4-178.600110.1R224 A225 L230 N231 E232R224-E228 IonicContact CZ-OE1 3.41Å; R224-E228 IonicContact NE-OE1 3.48Å; R224-E228 PolarHBondContact NE-OE1 3.15Å; R224-E228 IonicContact NH2-OE1 2.67Å; R224-E228 PolarHBondContact NH2-OE1 3.16Å; R224-E228 WeakPolarHBondContact O-CG 3.44Å; R224-E228 PolarHBondContact O-N 2.67Å; A225-E228 PolarHBondContact O-N 3.19Å; E228-L230 PolarHBondContact O-N 2.79Å; E228-N231 PolarHBondContact O-N 3.22Å; E228-E232 WeakPolarHBondContact O-CG 3.27Å; E228-E232 PolarHBondContact O-N 2.92Å; E228-E232 VanDerWaalsContact O-N 3.14Å
229W93.4Very high83.7Confident39 Ų3951.8 Ų51.815%0.14827%0.265CS..Hα-helixtrans-59.6-43175.7179.180.4000112.9L9 K13 L106 A225 L226 E232 N233L9-W229 HydrophobicContact CD1-CH2 3.8Å; L9-W229 HydrophobicContact CD2-CH2 4.25Å; L9-W229 HydrophobicContact CD2-CZ3 4.39Å; L9-W229 HydrophobicContact CG-CH2 3.75Å; L9-W229 HydrophobicContact CG-CZ3 4.14Å; K13-W229 HydrophobicContact CB-CH2 3.6Å; K13-W229 HydrophobicContact CB-CZ2 3.87Å; K13-W229 HydrophobicContact CB-CZ3 4.03Å; K13-W229 HydrophobicContact CD-CD2 4.41Å; K13-W229 HydrophobicContact CD-CH2 4.45Å; K13-W229 HydrophobicContact CD-CZ2 3.85Å; K13-W229 HydrophobicContact CG-CD2 4.09Å; K13-W229 HydrophobicContact CG-CE3 4.2Å; K13-W229 HydrophobicContact CG-CH2 3.85Å; K13-W229 HydrophobicContact CG-CZ2 3.75Å; K13-W229 HydrophobicContact CG-CZ3 4.09Å; L106-W229 HydrophobicContact CD1-CB 4.12Å; L106-W229 HydrophobicContact CD1-CD2 4.41Å; L106-W229 HydrophobicContact CD1-CG 4.1Å; L106-W229 HydrophobicContact CD2-CB 4.18Å; A225-W229 WeakPolarHBondContact O-CB 3.38Å; A225-W229 PolarHBondContact O-N 3.11Å; L226-W229 HydrophobicContact CD1-CE3 4.03Å; L226-W229 PolarHBondContact O-N 2.88Å; W229-E232 PolarHBondContact O-N 2.84Å; W229-N233 HydrophobicContact CZ2-CB 4.48Å; W229-N233 PolarHBondContact NE1-ND2 3.3Å; W229-N233 WeakPolarHBondContact O-CB 3.15Å; W229-N233 PolarHBondContact O-N 3.42Å; W229-N233 PolarHBondContact O-ND2 2.91Å
230L91.4Very high81.3Confident0 Ų060.1 Ų60.10%030%0.301CS..Hα-helixtrans-62.2-43.7176.5-77168.7000112L6 L9 I10 I38 I61 L226 E228 E232 N233 T234L6-L230 HydrophobicContact CD1-CD2 3.9Å; L9-L230 HydrophobicContact CD2-CD2 4.36Å; I10-L230 HydrophobicContact CD1-CD1 3.97Å; I10-L230 HydrophobicContact CD1-CD2 4.18Å; I10-L230 HydrophobicContact CG1-CD2 4.03Å; I38-L230 HydrophobicContact CD1-CB 4.26Å; I38-L230 HydrophobicContact CD1-CD1 3.89Å; I61-L230 HydrophobicContact CD1-CD1 3.68Å; L226-L230 HydrophobicContact CD1-CG 4.48Å; L226-L230 HydrophobicContact CG-CD1 4.24Å; L226-L230 WeakPolarHBondContact O-CB 3.41Å; L226-L230 WeakPolarHBondContact O-CG 3.35Å; L226-L230 PolarHBondContact O-N 3.02Å; E228-L230 PolarHBondContact O-N 2.79Å; L230-E232 PolarHBondContact O-N 2.83Å; L230-N233 PolarHBondContact O-N 2.93Å; L230-T234 HydrophobicContact CD2-CG2 4.38Å; L230-T234 WeakPolarHBondContact O-CB 3.5Å; L230-T234 PolarHBondContact O-N 3.12Å; L230-T234 PolarHBondContact O-OG1 3.05Å
231N83Confident79.4Confident42 Ų4260.4 Ų60.423%0.22532%0.316CS..Hα-helixtrans-64.7-28.5178.4-71.7-28.9000113S227 E228 L236 G238S227-N231 VanDerWaalsContact O-CG 3.28Å; S227-N231 PolarHBondContact O-N 3.24Å; S227-N231 VanDerWaalsContact O-N 3.15Å; S227-N231 PolarHBondContact O-ND2 3Å; S227-N231 VanDerWaalsContact O-ND2 3.17Å; E228-N231 PolarHBondContact O-N 3.22Å; N231-L236 PolarHBondContact OD1-O 3.1Å; N231-G238 WeakPolarHBondContact OD1-CA 3.27Å; N231-G238 PolarHBondContact OD1-N 2.9Å
232E83.4Confident78.1Confident159 Ų15961.3 Ų61.374%0.74331%0.314SS*.Hα-helixtrans-83.4-25.6178.5-71.3175.1-179.500113E228 W229 L230E228-E232 WeakPolarHBondContact O-CG 3.27Å; E228-E232 PolarHBondContact O-N 2.92Å; E228-E232 VanDerWaalsContact O-N 3.14Å; W229-E232 PolarHBondContact O-N 2.84Å; L230-E232 PolarHBondContact O-N 2.83Å
233N86.9Confident76.7Confident97 Ų9767.4 Ų67.452%0.51934%0.337SS..Hα-helixtrans-111-1.3-173.4-67.7-92.6000113.4W229 L230W229-N233 HydrophobicContact CZ2-CB 4.48Å; W229-N233 PolarHBondContact NE1-ND2 3.3Å; W229-N233 WeakPolarHBondContact O-CB 3.15Å; W229-N233 PolarHBondContact O-N 3.42Å; W229-N233 PolarHBondContact O-ND2 2.91Å; L230-N233 PolarHBondContact O-N 2.93Å
234T84.2Confident75.7Confident24 Ų2468.3 Ų68.315%0.14735%0.346CS..SBendtrans-143.9156.3179.473.40000111.1M1 L9 L230 L236M1-T234 HydrophobicContact SD-CG2 4.39Å; L9-T234 HydrophobicContact CD2-CG2 3.69Å; L230-T234 HydrophobicContact CD2-CG2 4.38Å; L230-T234 WeakPolarHBondContact O-CB 3.5Å; L230-T234 PolarHBondContact O-N 3.12Å; L230-T234 PolarHBondContact O-OG1 3.05Å; T234-L236 PolarHBondContact O-N 3.28Å; T234-L236 WeakPolarHBondContact OG1-CB 3.45Å; T234-L236 WeakPolarHBondContact OG1-CD1 3.43Å; T234-L236 WeakPolarHBondContact OG1-CG 3.35Å; T234-L236 PolarHBondContact OG1-N 3.5Å
235D75.2Confident75.1Confident179 Ų17971.3 Ų71.396%0.95736%0.358SS*.  trans-81.925.4174-61.8-40.7000113
236L75.5Confident74.5Confident13 Ų1372 Ų727%0.06836%0.362CS..  trans-77.8132.3178.9-65.5174000110.5M1 L6 V35 Q36 I38 N231 T234 G238M1-L236 HydrophobicContact CG-CD2 4.42Å; M1-L236 HydrophobicContact SD-CD1 3.78Å; M1-L236 HydrophobicContact SD-CD2 4.43Å; M1-L236 HydrophobicContact SD-CG 4.28Å; L6-L236 HydrophobicContact CD1-CD1 4.04Å; V35-L236 HydrophobicContact CG1-CD2 4.12Å; V35-L236 VanDerWaalsContact O-CD2 3.3Å; V35-L236 WeakPolarHBondContact O-CD2 3.43Å; Q36-L236 WeakPolarHBondContact O-CA 3.32Å; Q36-L236 WeakPolarHBondContact O-CD2 3.38Å; I38-L236 HydrophobicContact CD1-CD1 4.33Å; I38-L236 HydrophobicContact CG2-CD1 3.94Å; N231-L236 PolarHBondContact OD1-O 3.1Å; T234-L236 PolarHBondContact O-N 3.28Å; T234-L236 WeakPolarHBondContact OG1-CB 3.45Å; T234-L236 WeakPolarHBondContact OG1-CD1 3.43Å; T234-L236 WeakPolarHBondContact OG1-CG 3.35Å; T234-L236 PolarHBondContact OG1-N 3.5Å; L236-G238 PolarHBondContact O-N 3.26Å; L236-G238 VanDerWaalsContact O-N 3.12Å
237D56.7Low73.6Confident103 Ų10375.1 Ų75.155%0.55137%0.374SS*.EExtended strand (participates in β ladder)trans-78.496.5178.2-174.520.9000110.2Q36 K37Q36-D237 PolarHBondContact O-N 2.87Å; K37-D237 WeakPolarHBondContact CG-O 3.22Å
238G51.8Low72.8Confident12 Ų1278 Ų7812%0.12439%0.388CS..EExtended strand (participates in β ladder)trans-88.4124174.600000112.9N231 L236 K240N231-G238 WeakPolarHBondContact OD1-CA 3.27Å; N231-G238 PolarHBondContact OD1-N 2.9Å; L236-G238 PolarHBondContact O-N 3.26Å; L236-G238 VanDerWaalsContact O-N 3.12Å; G238-K240 PolarHBondContact O-N 2.94Å
239S48.9Very low71.8Confident59 Ų5978.4 Ų78.441%0.41339%0.392SS..  trans-69.197.3177.859.60000112.3V241S239-V241 PolarHBondContact O-N 3.23Å
240K45.8Very low70.5Confident179 Ų17979.4 Ų79.478%0.77841%0.414SS*.PPolyproline II helixtrans-74.2118.8173.6-74.8-177.5177178.20111.3G238G238-K240 PolarHBondContact O-N 2.94Å
241V52.8Low69.5Low128 Ų12887.5 Ų87.578%0.77645%0.452SS*.PPolyproline II helixtrans-80.2119.5161.3-179.50000108.2S239 R243S239-V241 PolarHBondContact O-N 3.23Å; V241-R243 PolarHBondContact O-N 2.84Å
242Q64.2Low69Low39 Ų3989 Ų8918%0.18246%0.463CS..PPolyproline II helixtrans-65.5128.7178.3-164.2165.833.700110.3A244 E259 P261 S266Q242-A244 PolarHBondContact O-N 3.28Å; Q242-E259 VanDerWaalsContact CD-O 3.27Å; Q242-E259 WeakPolarHBondContact CG-O 3.47Å; Q242-E259 PolarHBondContact NE2-O 3.16Å; Q242-P261 PolarHBondContact NE2-O 3.06Å; Q242-S266 VanDerWaalsContact OE1-CB 3.27Å
243R65.1Low68.8Low128 Ų12881.8 Ų81.848%0.48343%0.43SS..PPolyproline II helixtrans-63.3132.5179.1-84.4179.9167.9165.11.1110.1R224 V241 E259R224-R243 VanDerWaalsContact NH2-NH2 3.14Å; V241-R243 PolarHBondContact O-N 2.84Å; R243-E259 HydrophobicContact CB-CB 4.36Å; R243-E259 VanDerWaalsContact CB-CD 3.5Å; R243-E259 HydrophobicContact CB-CG 4.01Å; R243-E259 WeakPolarHBondContact CB-OE2 3.44Å; R243-E259 WeakPolarHBondContact CD-OE2 3.25Å; R243-E259 PolarHBondContact O-N 2.79Å
244A74.1Confident68.5Low28 Ų2877.2 Ų77.223%0.23141%0.406CS..EExtended strand (participates in β ladder)trans-111126.3173.200000109.2Q242 L256 E257 L258Q242-A244 PolarHBondContact O-N 3.28Å; A244-L256 HydrophobicContact CB-CD2 4.33Å; A244-L256 HydrophobicContact CB-CG 4.29Å; A244-E257 CarbonylContact C-O 3.28Å; A244-E257 WeakPolarHBondContact CA-O 3.4Å; A244-L258 HydrophobicContact CB-CD2 3.59Å
245R77.8Confident68.5Low165 Ų16576.1 Ų76.162%0.62340%0.399SS*.EExtended strand (participates in β ladder)trans-98.9126170.3-173.6-174.1176.2-176.9-1.2108.2Y247 E257R245-Y247 HydrophobicContact CG-CD1 4.11Å; R245-E257 PolarHBondContact N-O 2.85Å; R245-E257 PolarHBondContact O-N 3.49Å
246C80.6Confident69.1Low21 Ų2167.6 Ų67.614%0.14235%0.353CS..EExtended strand (participates in β ladder)trans-108.4137.8169.8-73.30000110.6V255 L256 I308 Q312C246-V255 CarbonylContact C-O 3.52Å; C246-V255 WeakPolarHBondContact CA-O 3.26Å; C246-L256 VanDerWaalsContact SG-CB 3.57Å; C246-I308 HydrophobicContact CB-CG2 3.73Å; C246-Q312 HydrophobicContact CB-CG 4.39Å
247Y75.8Confident69.6Low66 Ų6670.4 Ų70.426%0.25937%0.366SS..EExtended strand (participates in β ladder)trans-153.4162.6178.356.4-87.4000110.9R245 I249 V254 V255 E257R245-Y247 HydrophobicContact CG-CD1 4.11Å; Y247-I249 HydrophobicContact CD2-CG1 4.11Å; Y247-I249 HydrophobicContact CE2-CD1 4.04Å; Y247-I249 HydrophobicContact CE2-CG1 3.78Å; Y247-V254 CarbonylContact O-C 3.58Å; Y247-V255 HydrophobicContact CD2-CB 4.21Å; Y247-V255 HydrophobicContact CE1-CB 4.22Å; Y247-V255 HydrophobicContact CE1-CG1 4.02Å; Y247-V255 HydrophobicContact CE2-CB 3.84Å; Y247-V255 HydrophobicContact CE2-CG1 4.17Å; Y247-V255 HydrophobicContact CE2-CG2 4.18Å; Y247-V255 PolarHBondContact N-O 2.76Å; Y247-V255 PolarHBondContact O-N 3.48Å; Y247-E257 HydrophobicContact CE1-CB 3.95Å; Y247-E257 VanDerWaalsContact CE1-OE2 3.26Å; Y247-E257 WeakPolarHBondContact CE1-OE2 3.05Å; Y247-E257 PolarHBondContact OH-OE2 2.72Å
248L72.9Confident70.9Confident76 Ų7665.7 Ų65.740%0.39834%0.341SS..EExtended strand (participates in β ladder)trans-86.7141.3174.5-68163.8000110.7A253 V254 A304 I308L248-A253 CarbonylContact C-O 3.28Å; L248-A253 WeakPolarHBondContact CA-O 3.34Å; L248-A253 WeakPolarHBondContact CD2-O 3.46Å; L248-V254 HydrophobicContact CD2-CB 4.46Å; L248-V254 HydrophobicContact CD2-CG2 3.52Å; L248-A304 HydrophobicContact CD1-CB 4.06Å; L248-A304 HydrophobicContact CD2-CB 3.92Å; L248-I308 HydrophobicContact CG-CD1 4.21Å
249I67.6Low72.2Confident90 Ų9069.6 Ų69.646%0.46236%0.356SS..EExtended strand (participates in β ladder)trans-111.1110161.3-68-173.1000107.6Y247 A253 V255Y247-I249 HydrophobicContact CD2-CG1 4.11Å; Y247-I249 HydrophobicContact CE2-CD1 4.04Å; Y247-I249 HydrophobicContact CE2-CG1 3.78Å; I249-A253 PolarHBondContact N-O 2.71Å; I249-V255 HydrophobicContact CB-CG2 4.3Å; I249-V255 HydrophobicContact CD1-CG2 3.4Å; I249-V255 HydrophobicContact CG1-CG2 3.6Å
250G68Low73.3Confident60 Ų6072 Ų7262%0.61937%0.37SS*.THydrogen-bonded Turntrans64-156.3-171.900000112
251E69.9Low74.7Confident169 Ų16967.8 Ų67.879%0.7936%0.361SS*.THydrogen-bonded Turntrans-88.7-20-176.6-56.2176.4-160.800111.9P300E251-P300 WeakPolarHBondContact O-CB 3Å
252T72.7Confident75.9Confident74 Ų7465 Ų6545%0.45434%0.344SS..THydrogen-bonded Turntrans-109.4-11.9-163.957.70000115L297 P300T252-L297 PolarHBondContact O-N 2.94Å; T252-P300 HydrophobicContact CG2-CG 4.07Å
253A77.7Confident76.8Confident7 Ų765.5 Ų65.56%0.05835%0.35CS..EExtended strand (participates in β ladder)trans-132.7140.1-170.200000113.5L248 I249 T294 V295 I296L248-A253 CarbonylContact C-O 3.28Å; L248-A253 WeakPolarHBondContact CA-O 3.34Å; L248-A253 WeakPolarHBondContact CD2-O 3.46Å; I249-A253 PolarHBondContact N-O 2.71Å; A253-T294 HydrophobicContact CB-CG2 4Å; A253-V295 CarbonylContact C-O 3.45Å; A253-V295 VanDerWaalsContact CA-O 3.25Å; A253-V295 WeakPolarHBondContact CA-O 3.39Å; A253-I296 HydrophobicContact CB-CG1 4.28Å
254V81.9Confident77.8Confident1 Ų162 Ų621%0.00634%0.341CS..EExtended strand (participates in β ladder)trans-107.2135.5170.9-179.50000108.6Y247 L248 V295 L297 A307 I308 L311Y247-V254 CarbonylContact O-C 3.58Å; L248-V254 HydrophobicContact CD2-CB 4.46Å; L248-V254 HydrophobicContact CD2-CG2 3.52Å; V254-V295 PolarHBondContact N-O 2.67Å; V254-V295 PolarHBondContact O-N 3.38Å; V254-L297 HydrophobicContact CG2-CD1 4Å; V254-A307 HydrophobicContact CG2-CB 3.86Å; V254-I308 HydrophobicContact CG1-CG1 3.77Å; V254-I308 HydrophobicContact CG2-CG1 4.18Å; V254-L311 HydrophobicContact CB-CD2 4.32Å; V254-L311 HydrophobicContact CG1-CD2 3.71Å
255V84.1Confident78.1Confident1 Ų163.6 Ų63.61%0.00635%0.354CS..EExtended strand (participates in β ladder)trans-110.1133.3172.71800000109.5C246 Y247 I249 E257 N292 I293 T294C246-V255 CarbonylContact C-O 3.52Å; C246-V255 WeakPolarHBondContact CA-O 3.26Å; Y247-V255 HydrophobicContact CD2-CB 4.21Å; Y247-V255 HydrophobicContact CE1-CB 4.22Å; Y247-V255 HydrophobicContact CE1-CG1 4.02Å; Y247-V255 HydrophobicContact CE2-CB 3.84Å; Y247-V255 HydrophobicContact CE2-CG1 4.17Å; Y247-V255 HydrophobicContact CE2-CG2 4.18Å; Y247-V255 PolarHBondContact N-O 2.76Å; Y247-V255 PolarHBondContact O-N 3.48Å; I249-V255 HydrophobicContact CB-CG2 4.3Å; I249-V255 HydrophobicContact CD1-CG2 3.4Å; I249-V255 HydrophobicContact CG1-CG2 3.6Å; V255-E257 HydrophobicContact CG1-CB 4.4Å; V255-N292 HydrophobicContact CG1-CB 4.46Å; V255-I293 WeakPolarHBondContact CA-O 3.07Å; V255-T294 HydrophobicContact CG2-CG2 3.94Å; V255-T294 WeakPolarHBondContact CG2-OG1 2.98Å
256L87Confident78.4Confident0 Ų055.9 Ų55.90%033%0.325CS..EExtended strand (participates in β ladder)trans-106.9118.9162.3-179.5156.1000108.2A244 C246 L258 N292 I293 L311 W315A244-L256 HydrophobicContact CB-CD2 4.33Å; A244-L256 HydrophobicContact CB-CG 4.29Å; C246-L256 VanDerWaalsContact SG-CB 3.57Å; L256-L258 HydrophobicContact CD2-CD2 3.64Å; L256-L258 HydrophobicContact CD2-CG 4.06Å; L256-N292 CarbonylContact O-C 3.44Å; L256-N292 WeakPolarHBondContact O-CA 3.38Å; L256-N292 WeakPolarHBondContact O-CB 3.38Å; L256-I293 HydrophobicContact CB-CG2 3.91Å; L256-I293 HydrophobicContact CD2-CG2 4.49Å; L256-I293 PolarHBondContact N-O 2.88Å; L256-I293 PolarHBondContact O-N 3.44Å; L256-L311 HydrophobicContact CB-CD2 3.61Å; L256-L311 HydrophobicContact CB-CG 4.01Å; L256-L311 HydrophobicContact CD1-CG 4.04Å; L256-W315 HydrophobicContact CD1-CB 3.44Å; L256-W315 VanDerWaalsContact CD1-CB 3.44Å; L256-W315 HydrophobicContact CD1-CD2 4.39Å; L256-W315 HydrophobicContact CD1-CG 3.79Å; L256-W315 HydrophobicContact CD2-CD2 4.29Å; L256-W315 HydrophobicContact CD2-CE3 4.38Å; L256-W315 HydrophobicContact CD2-CG 4.46Å
257E86.6Confident78.8Confident73 Ų7354.9 Ų54.934%0.34132%0.319SS..EExtended strand (participates in β ladder)trans-119.8131.5-179.7-178.5173.8-162.700109.6A244 R245 Y247 V255 N292A244-E257 CarbonylContact C-O 3.28Å; A244-E257 WeakPolarHBondContact CA-O 3.4Å; R245-E257 PolarHBondContact N-O 2.85Å; R245-E257 PolarHBondContact O-N 3.49Å; Y247-E257 HydrophobicContact CE1-CB 3.95Å; Y247-E257 VanDerWaalsContact CE1-OE2 3.26Å; Y247-E257 WeakPolarHBondContact CE1-OE2 3.05Å; Y247-E257 PolarHBondContact OH-OE2 2.72Å; V255-E257 HydrophobicContact CG1-CB 4.4Å; E257-N292 HydrophobicContact CB-CB 4.16Å; E257-N292 HydrophobicContact CG-CB 4.31Å
258L84.1Confident79.3Confident4 Ų454 Ų542%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-95.5135.9179.2-55174.9000109.8A244 L256 I270 N291 W315A244-L258 HydrophobicContact CB-CD2 3.59Å; L256-L258 HydrophobicContact CD2-CD2 3.64Å; L256-L258 HydrophobicContact CD2-CG 4.06Å; L258-I270 HydrophobicContact CD1-CD1 3.77Å; L258-I270 HydrophobicContact CD1-CG1 4.28Å; L258-I270 HydrophobicContact CG-CD1 4.48Å; L258-N291 WeakPolarHBondContact CB-ND2 3.43Å; L258-N291 PolarHBondContact N-O 3.12Å; L258-N291 PolarHBondContact O-ND2 2.85Å; L258-W315 HydrophobicContact CD1-CH2 3.25Å; L258-W315 HydrophobicContact CD1-CZ2 3.49Å; L258-W315 VanDerWaalsContact CD1-CZ2 3.49Å; L258-W315 HydrophobicContact CD1-CZ3 3.99Å; L258-W315 HydrophobicContact CD2-CD2 4.24Å; L258-W315 HydrophobicContact CD2-CH2 3.95Å; L258-W315 HydrophobicContact CD2-CZ2 3.36Å; L258-W315 HydrophobicContact CG-CH2 4.2Å; L258-W315 HydrophobicContact CG-CZ2 4.07Å
259E77.9Confident79.9Confident93 Ų9353 Ų5344%0.43531%0.307SS..PPolyproline II helixtrans-61.6147172.5-72.3-178.8-177.100110.3Q242 R243Q242-E259 VanDerWaalsContact CD-O 3.27Å; Q242-E259 WeakPolarHBondContact CG-O 3.47Å; Q242-E259 PolarHBondContact NE2-O 3.16Å; R243-E259 HydrophobicContact CB-CB 4.36Å; R243-E259 VanDerWaalsContact CB-CD 3.5Å; R243-E259 HydrophobicContact CB-CG 4.01Å; R243-E259 WeakPolarHBondContact CB-OE2 3.44Å; R243-E259 WeakPolarHBondContact CD-OE2 3.25Å; R243-E259 PolarHBondContact O-N 2.79Å
260P73.8Confident80.9Confident110 Ų11048.7 Ų48.771%0.71429%0.285SS*.SBendtrans-52.7155.2172.9-26.335000113.1
261P73.5Confident81.8Confident90 Ų9046.3 Ų46.358%0.58426%0.257SS*.PPolyproline II helixcis-82.1148.5932.2-34.9000113.6Q242 T263Q242-P261 PolarHBondContact NE2-O 3.06Å; P261-T263 HydrophobicContact CB-CG2 4.42Å; P261-T263 HydrophobicContact CG-CG2 4.05Å; P261-T263 PolarHBondContact O-N 2.87Å
262V78.6Confident82.5Confident70 Ų7042.1 Ų42.142%0.42423%0.234SC..PPolyproline II helixtrans-70.1116.6171178.40000108.4M290 N291 W368V262-M290 HydrophobicContact CG1-CG 3.88Å; V262-M290 HydrophobicContact CG1-SD 3.53Å; V262-M290 VanDerWaalsContact CG1-SD 3.53Å; V262-M290 HydrophobicContact CG2-CG 4.48Å; V262-N291 HydrophobicContact CB-CB 4.49Å; V262-N291 HydrophobicContact CG1-CB 4.27Å; V262-N291 HydrophobicContact CG2-CB 3.89Å; V262-W368 HydrophobicContact CG1-CE3 4.11Å; V262-W368 HydrophobicContact CG1-CH2 3.82Å; V262-W368 HydrophobicContact CG1-CZ3 3.37Å
263T83.9Confident83.1Confident49 Ų4938.6 Ų38.630%0.30121%0.213SC..  trans-123149.6-178.672.40000111.2P261 A265 S266 Q267 W368P261-T263 HydrophobicContact CB-CG2 4.42Å; P261-T263 HydrophobicContact CG-CG2 4.05Å; P261-T263 PolarHBondContact O-N 2.87Å; T263-A265 PolarHBondContact O-N 2.98Å; T263-S266 PolarHBondContact N-OG 2.94Å; T263-S266 PolarHBondContact O-N 2.8Å; T263-S266 PolarHBondContact O-OG 3.1Å; T263-S266 WeakPolarHBondContact OG1-CB 3.43Å; T263-S266 PolarHBondContact OG1-N 3.47Å; T263-S266 PolarHBondContact OG1-OG 2.9Å; T263-Q267 PolarHBondContact O-N 3Å; T263-W368 WeakPolarHBondContact O-CZ3 3.32Å
264L84.8Confident83.6Confident55 Ų5538.7 Ų38.729%0.28821%0.213SC..Hα-helixtrans-63.9-30.1176.6-176.661.7000111.2Q267 K268 W271 V366 W368L264-Q267 PolarHBondContact O-N 2.79Å; L264-K268 HydrophobicContact CG-CD 4.33Å; L264-K268 HydrophobicContact CG-CG 4.45Å; L264-K268 WeakPolarHBondContact O-CB 3.33Å; L264-K268 VanDerWaalsContact O-CG 3.25Å; L264-K268 WeakPolarHBondContact O-CG 3.26Å; L264-K268 PolarHBondContact O-N 3.07Å; L264-W271 HydrophobicContact CD1-CH2 3.64Å; L264-W271 HydrophobicContact CD1-CZ2 4.37Å; L264-W271 HydrophobicContact CD1-CZ3 4.32Å; L264-V366 HydrophobicContact CD1-CB 4.39Å; L264-V366 HydrophobicContact CD1-CG1 4.02Å; L264-V366 HydrophobicContact CD2-CG2 4.25Å; L264-W368 HydrophobicContact CB-CH2 4.16Å; L264-W368 HydrophobicContact CB-CZ2 4.19Å; L264-W368 HydrophobicContact CD1-CZ2 4.33Å; L264-W368 VanDerWaalsContact N-CH2 3.3Å
265A81.9Confident83.7Confident62 Ų6242.8 Ų42.851%0.51223%0.232SC..Hα-helixtrans-65.1-45.2175.700000112.2T263 K268 R269T263-A265 PolarHBondContact O-N 2.98Å; A265-K268 PolarHBondContact O-N 2.97Å; A265-R269 PolarHBondContact O-N 2.94Å
266S83.6Confident83.6Confident3 Ų347 Ų472%0.02125%0.248CC..Hα-helixtrans-66.2-40.3174.962.50000111.6Q242 T263 R269 I270 N291Q242-S266 VanDerWaalsContact OE1-CB 3.27Å; T263-S266 PolarHBondContact N-OG 2.94Å; T263-S266 PolarHBondContact O-N 2.8Å; T263-S266 PolarHBondContact O-OG 3.1Å; T263-S266 WeakPolarHBondContact OG1-CB 3.43Å; T263-S266 PolarHBondContact OG1-N 3.47Å; T263-S266 PolarHBondContact OG1-OG 2.9Å; S266-R269 WeakPolarHBondContact O-CB 3.45Å; S266-R269 PolarHBondContact O-N 3.36Å; S266-I270 PolarHBondContact O-N 3.2Å; S266-N291 PolarHBondContact OG-OD1 3.22Å
267Q87.7Confident83.5Confident0 Ų047 Ų470%025%0.248CC..Hα-helixtrans-64-40.8175.4-165.770.616.900112.8T263 L264 R269 I270 W271 G289 W368T263-Q267 PolarHBondContact O-N 3Å; L264-Q267 PolarHBondContact O-N 2.79Å; Q267-R269 VanDerWaalsContact C-N 3.28Å; Q267-R269 PolarHBondContact O-N 3.09Å; Q267-I270 WeakPolarHBondContact O-CA 3.24Å; Q267-I270 WeakPolarHBondContact O-CB 3.35Å; Q267-I270 PolarHBondContact O-N 3.44Å; Q267-I270 VanDerWaalsContact O-N 3.08Å; Q267-W271 HydrophobicContact CB-CZ2 4.46Å; Q267-W271 HydrophobicContact CG-CD2 4.42Å; Q267-W271 HydrophobicContact CG-CZ2 3.64Å; Q267-W271 PolarHBondContact O-N 2.86Å; Q267-G289 PolarHBondContact NE2-O 2.79Å; Q267-G289 PolarHBondContact OE1-O 2.96Å; Q267-W368 HydrophobicContact CB-CE3 3.49Å; Q267-W368 VanDerWaalsContact CB-CE3 3.49Å; Q267-W368 HydrophobicContact CB-CZ3 3.49Å; Q267-W368 VanDerWaalsContact CB-CZ3 3.49Å; Q267-W368 HydrophobicContact CG-CD2 4.18Å; Q267-W368 HydrophobicContact CG-CE3 3.36Å; Q267-W368 HydrophobicContact CG-CZ3 3.93Å; Q267-W368 PolarHBondContact NE2-O 2.79Å
268K87Confident83.1Confident46 Ų4648.1 Ų48.120%0.226%0.26CS..Hα-helixtrans-57.5-41.6174.5-82173175.1-178.60111.8L264 A265 W271 R272 E322L264-K268 HydrophobicContact CG-CD 4.33Å; L264-K268 HydrophobicContact CG-CG 4.45Å; L264-K268 WeakPolarHBondContact O-CB 3.33Å; L264-K268 VanDerWaalsContact O-CG 3.25Å; L264-K268 WeakPolarHBondContact O-CG 3.26Å; L264-K268 PolarHBondContact O-N 3.07Å; A265-K268 PolarHBondContact O-N 2.97Å; K268-W271 HydrophobicContact CB-CE3 4.17Å; K268-W271 HydrophobicContact CB-CZ3 4.34Å; K268-W271 HydrophobicContact CG-CE3 3.72Å; K268-W271 HydrophobicContact CG-CH2 4.31Å; K268-W271 HydrophobicContact CG-CZ3 3.43Å; K268-W271 VanDerWaalsContact CG-CZ3 3.43Å; K268-W271 PolarHBondContact O-N 2.86Å; K268-R272 PolarHBondContact O-N 2.79Å; K268-R272 VanDerWaalsContact O-N 3.1Å; K268-E322 HydrophobicContact CD-CG 4.5Å; K268-E322 IonicContact NZ-OE1 3.72Å; K268-E322 PolarHBondContact NZ-OE1 3.14Å
269R86.4Confident82.9Confident55 Ų5554.7 Ų54.721%0.20830%0.295CS..Hα-helixtrans-64.9-40.4174.4-68.6173.666.5-161-2.8111.9A265 S266 Q267 R272 L273 W315 S318 A320A265-R269 PolarHBondContact O-N 2.94Å; S266-R269 WeakPolarHBondContact O-CB 3.45Å; S266-R269 PolarHBondContact O-N 3.36Å; Q267-R269 VanDerWaalsContact C-N 3.28Å; Q267-R269 PolarHBondContact O-N 3.09Å; R269-R272 PolarHBondContact O-N 2.86Å; R269-L273 WeakPolarHBondContact O-CB 3.22Å; R269-L273 PolarHBondContact O-N 2.98Å; R269-W315 HydrophobicContact CB-CE3 4.29Å; R269-W315 HydrophobicContact CB-CH2 3.67Å; R269-W315 HydrophobicContact CB-CZ3 3.36Å; R269-W315 HydrophobicContact CG-CH2 4.46Å; R269-W315 HydrophobicContact CG-CZ3 4.49Å; R269-W315 PolarHBondContact NH2-O 3.39Å; R269-S318 PolarHBondContact NE-O 3.32Å; R269-S318 VanDerWaalsContact NE-O 3.13Å; R269-A320 HydrophobicContact CG-CB 4.08Å
270I87.9Confident83Confident0 Ų052.7 Ų52.70%029%0.286CS..Hα-helixtrans-60-45.7173.9-74.5162.6000111.6L258 S266 Q267 R272 L273 A274 P288 I293 W315L258-I270 HydrophobicContact CD1-CD1 3.77Å; L258-I270 HydrophobicContact CD1-CG1 4.28Å; L258-I270 HydrophobicContact CG-CD1 4.48Å; S266-I270 PolarHBondContact O-N 3.2Å; Q267-I270 WeakPolarHBondContact O-CA 3.24Å; Q267-I270 WeakPolarHBondContact O-CB 3.35Å; Q267-I270 PolarHBondContact O-N 3.44Å; Q267-I270 VanDerWaalsContact O-N 3.08Å; I270-R272 VanDerWaalsContact C-N 3.29Å; I270-R272 PolarHBondContact O-N 3.03Å; I270-L273 PolarHBondContact O-N 3.32Å; I270-A274 PolarHBondContact O-N 3.5Å; I270-P288 HydrophobicContact CG2-CB 3.72Å; I270-I293 HydrophobicContact CG2-CB 4.14Å; I270-W315 HydrophobicContact CG1-CZ3 4.01Å
271W87.7Confident83.3Confident11 Ų1152.7 Ų52.74%0.04229%0.286CS..Hα-helixtrans-59.2-42.9176.4-59.5-29.9000112L264 Q267 K268 A274 Q275 P323 V366 V367 W368L264-W271 HydrophobicContact CD1-CH2 3.64Å; L264-W271 HydrophobicContact CD1-CZ2 4.37Å; L264-W271 HydrophobicContact CD1-CZ3 4.32Å; Q267-W271 HydrophobicContact CB-CZ2 4.46Å; Q267-W271 HydrophobicContact CG-CD2 4.42Å; Q267-W271 HydrophobicContact CG-CZ2 3.64Å; Q267-W271 PolarHBondContact O-N 2.86Å; K268-W271 HydrophobicContact CB-CE3 4.17Å; K268-W271 HydrophobicContact CB-CZ3 4.34Å; K268-W271 HydrophobicContact CG-CE3 3.72Å; K268-W271 HydrophobicContact CG-CH2 4.31Å; K268-W271 HydrophobicContact CG-CZ3 3.43Å; K268-W271 VanDerWaalsContact CG-CZ3 3.43Å; K268-W271 PolarHBondContact O-N 2.86Å; W271-A274 WeakPolarHBondContact O-CB 3.35Å; W271-A274 PolarHBondContact O-N 2.72Å; W271-Q275 WeakPolarHBondContact O-CG 3.38Å; W271-Q275 PolarHBondContact O-N 2.82Å; W271-P323 HydrophobicContact CE3-CG 3.61Å; W271-P323 HydrophobicContact CZ3-CG 4.1Å; W271-V366 HydrophobicContact CH2-CG1 3.7Å; W271-V366 HydrophobicContact CZ2-CG1 4.36Å; W271-V367 WeakPolarHBondContact CZ2-O 3.43Å; W271-W368 PolarHBondContact NE1-O 3.18Å
272R83.6Confident83.7Confident80 Ų8051.9 Ų51.930%0.30228%0.277SS..Hα-helixtrans-67.2-40.5179.2-173.255.9173.7165.61.6111.9K268 R269 I270 A274 Q275 R276K268-R272 PolarHBondContact O-N 2.79Å; K268-R272 VanDerWaalsContact O-N 3.1Å; R269-R272 PolarHBondContact O-N 2.86Å; I270-R272 VanDerWaalsContact C-N 3.29Å; I270-R272 PolarHBondContact O-N 3.03Å; R272-A274 VanDerWaalsContact C-N 3.35Å; R272-Q275 PolarHBondContact O-N 3.02Å; R272-R276 PolarHBondContact O-N 2.57Å
273L86.4Confident83.9Confident1 Ų149 Ų491%0.00526%0.26CS..Hα-helixtrans-60.8-45.7173.6-178.556.5000110.4R269 I270 Q275 R276 L277 I293 L311 W314 W315R269-L273 WeakPolarHBondContact O-CB 3.22Å; R269-L273 PolarHBondContact O-N 2.98Å; I270-L273 PolarHBondContact O-N 3.32Å; L273-Q275 PolarHBondContact O-N 3.38Å; L273-R276 PolarHBondContact O-N 2.96Å; L273-L277 HydrophobicContact CD1-CD1 4Å; L273-L277 HydrophobicContact CD1-CG 4.06Å; L273-L277 HydrophobicContact CG-CD1 3.82Å; L273-L277 HydrophobicContact CG-CG 4.36Å; L273-L277 WeakPolarHBondContact O-CB 3.28Å; L273-L277 WeakPolarHBondContact O-CG 3.39Å; L273-L277 PolarHBondContact O-N 2.86Å; L273-I293 HydrophobicContact CB-CD1 4.5Å; L273-I293 HydrophobicContact CD2-CG2 4.06Å; L273-I293 HydrophobicContact CG-CD1 4.23Å; L273-L311 HydrophobicContact CD1-CD1 4.46Å; L273-L311 HydrophobicContact CD2-CD1 4.02Å; L273-L311 HydrophobicContact CG-CD1 4.46Å; L273-W314 HydrophobicContact CD1-CB 3.57Å; L273-W315 HydrophobicContact CD2-CB 4.39Å; L273-W315 HydrophobicContact CD2-CE3 4.33Å
274A87.3Confident84Confident8 Ų849.9 Ų49.97%0.06627%0.265CS..Hα-helixtrans-56.7-49.7174.900000111.8I270 W271 R272 R276 L277 V278 A286 P288 I293I270-A274 PolarHBondContact O-N 3.5Å; W271-A274 WeakPolarHBondContact O-CB 3.35Å; W271-A274 PolarHBondContact O-N 2.72Å; R272-A274 VanDerWaalsContact C-N 3.35Å; A274-R276 VanDerWaalsContact C-N 3.33Å; A274-R276 PolarHBondContact O-N 2.72Å; A274-L277 PolarHBondContact O-N 3.41Å; A274-L277 VanDerWaalsContact O-N 3.14Å; A274-V278 VanDerWaalsContact O-CG2 3.26Å; A274-V278 WeakPolarHBondContact O-CG2 3.19Å; A274-V278 PolarHBondContact O-N 2.75Å; A274-V278 VanDerWaalsContact O-N 3.14Å; A274-A286 HydrophobicContact CB-CB 4.4Å; A274-P288 HydrophobicContact CB-CB 4.27Å; A274-P288 HydrophobicContact CB-CG 4.13Å; A274-I293 HydrophobicContact CB-CD1 3.69Å
275Q83.3Confident84Confident87 Ų8752.5 Ų52.541%0.40728%0.275SS..Hα-helixtrans-56.5-43.7176.3-73.7175.8-4.600112.7W271 R272 L273 L277W271-Q275 WeakPolarHBondContact O-CG 3.38Å; W271-Q275 PolarHBondContact O-N 2.82Å; R272-Q275 PolarHBondContact O-N 3.02Å; L273-Q275 PolarHBondContact O-N 3.38Å; Q275-L277 VanDerWaalsContact C-N 3.33Å
276R82.8Confident84.3Confident89 Ų8950.4 Ų50.434%0.33626%0.258SS..Hα-helixtrans-66.8-35.1178.2-76.9-173.9174177.51.8112.6R272 L273 A274 E317R272-R276 PolarHBondContact O-N 2.57Å; L273-R276 PolarHBondContact O-N 2.96Å; A274-R276 VanDerWaalsContact C-N 3.33Å; A274-R276 PolarHBondContact O-N 2.72Å; R276-E317 PolarHBondContact NH1-O 3.04Å
277L84.9Confident84.6Confident0 Ų054 Ų540%028%0.276CS..Hα-helixtrans-74.1-29.2-177.4-72.4169.7000113L273 A274 Q275 D279 M280 V283 A286 I293 V295 L311 W314L273-L277 HydrophobicContact CD1-CD1 4Å; L273-L277 HydrophobicContact CD1-CG 4.06Å; L273-L277 HydrophobicContact CG-CD1 3.82Å; L273-L277 HydrophobicContact CG-CG 4.36Å; L273-L277 WeakPolarHBondContact O-CB 3.28Å; L273-L277 WeakPolarHBondContact O-CG 3.39Å; L273-L277 PolarHBondContact O-N 2.86Å; A274-L277 PolarHBondContact O-N 3.41Å; A274-L277 VanDerWaalsContact O-N 3.14Å; Q275-L277 VanDerWaalsContact C-N 3.33Å; L277-D279 PolarHBondContact O-N 2.8Å; L277-M280 HydrophobicContact CD2-CE 4.49Å; L277-M280 HydrophobicContact CD2-SD 4.01Å; L277-M280 WeakPolarHBondContact O-CB 3.45Å; L277-M280 PolarHBondContact O-N 3.12Å; L277-V283 HydrophobicContact CB-CG1 4.36Å; L277-V283 HydrophobicContact CB-CG2 4.48Å; L277-V283 HydrophobicContact CD2-CG2 4.08Å; L277-V283 WeakPolarHBondContact O-CB 3.29Å; L277-A286 HydrophobicContact CB-CB 3.75Å; L277-A286 HydrophobicContact CD1-CB 4.1Å; L277-I293 HydrophobicContact CD1-CD1 3.77Å; L277-V295 HydrophobicContact CD1-CG1 4.39Å; L277-V295 HydrophobicContact CD1-CG2 3.56Å; L277-L311 HydrophobicContact CD1-CD1 3.91Å; L277-L311 HydrophobicContact CD2-CD1 4.44Å; L277-W314 HydrophobicContact CD2-CD2 4.25Å; L277-W314 HydrophobicContact CD2-CE3 3.33Å; L277-W314 HydrophobicContact CD2-CH2 4.08Å; L277-W314 HydrophobicContact CD2-CZ3 3.21Å
278V78.3Confident84.6Confident98 Ų9855.4 Ų55.459%0.59429%0.285SS*.Hα-helixtrans-56.9-35.8179.3177.50000112A274 M280A274-V278 VanDerWaalsContact O-CG2 3.26Å; A274-V278 WeakPolarHBondContact O-CG2 3.19Å; A274-V278 PolarHBondContact O-N 2.75Å; A274-V278 VanDerWaalsContact O-N 3.14Å; V278-M280 VanDerWaalsContact C-N 3.32Å; V278-M280 PolarHBondContact O-N 2.89Å
279D79Confident84.6Confident142 Ų14253.7 Ų53.776%0.75928%0.281SS*.THydrogen-bonded Turntrans-86.50.3-178.2-63.8-35000113.6L277L277-D279 PolarHBondContact O-N 2.8Å
280M80.8Confident84.6Confident50 Ų5053.2 Ų53.225%0.24628%0.281CS..  trans-84.4128.3-177.2-69.8-162.4-174.100112.3L277 V278 N282 V283 W314L277-M280 HydrophobicContact CD2-CE 4.49Å; L277-M280 HydrophobicContact CD2-SD 4.01Å; L277-M280 WeakPolarHBondContact O-CB 3.45Å; L277-M280 PolarHBondContact O-N 3.12Å; V278-M280 VanDerWaalsContact C-N 3.32Å; V278-M280 PolarHBondContact O-N 2.89Å; M280-N282 PolarHBondContact O-N 2.89Å; M280-V283 HydrophobicContact CB-CB 4.27Å; M280-V283 HydrophobicContact CB-CG2 3.86Å; M280-V283 PolarHBondContact O-N 3.01Å; M280-W314 HydrophobicContact CE-CD2 3.98Å; M280-W314 VanDerWaalsContact CE-CE2 3.47Å; M280-W314 HydrophobicContact CE-CE3 4.49Å; M280-W314 HydrophobicContact CE-CH2 4.1Å; M280-W314 HydrophobicContact CE-CZ2 3.56Å; M280-W314 HydrophobicContact SD-CD2 4.31Å; M280-W314 HydrophobicContact SD-CE3 4.36Å; M280-W314 HydrophobicContact SD-CH2 3.18Å; M280-W314 WeakPolarHBondContact SD-CH2 3.46Å; M280-W314 HydrophobicContact SD-CZ2 3.11Å; M280-W314 WeakPolarHBondContact SD-CZ2 3.4Å; M280-W314 HydrophobicContact SD-CZ3 3.85Å
281P79.8Confident84.6Confident110 Ų11053.5 Ų53.571%0.71428%0.283SS*.THydrogen-bonded Turntrans-55.6-32-172-27.132.4000115.9R298P281-R298 PolarHBondContact O-NE 3.45Å
282N81.8Confident84.7Confident74 Ų7455 Ų5540%0.39629%0.292SS..THydrogen-bonded Turntrans-95.2-2.4-175.7-68.1-23.5000113.6M280 L297 R298 L303M280-N282 PolarHBondContact O-N 2.89Å; N282-L297 WeakPolarHBondContact O-CA 3.36Å; N282-R298 PolarHBondContact O-N 2.89Å; N282-L303 HydrophobicContact CB-CD1 3.77Å
283V83.4Confident85Confident10 Ų1051.1 Ų51.16%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-93.6130.7173.8177.30000108L277 M280 A286 V295L277-V283 HydrophobicContact CB-CG1 4.36Å; L277-V283 HydrophobicContact CB-CG2 4.48Å; L277-V283 HydrophobicContact CD2-CG2 4.08Å; L277-V283 WeakPolarHBondContact O-CB 3.29Å; M280-V283 HydrophobicContact CB-CB 4.27Å; M280-V283 HydrophobicContact CB-CG2 3.86Å; M280-V283 PolarHBondContact O-N 3.01Å; V283-A286 HydrophobicContact CG1-CB 4.48Å; V283-V295 HydrophobicContact CB-CG1 4.35Å; V283-V295 HydrophobicContact CG1-CG1 3.71Å; V283-V295 HydrophobicContact CG2-CG1 3.79Å
284V85.1Confident85.1Confident66 Ų6652.6 Ų52.640%0.429%0.286SS..EExtended strand (participates in β ladder)trans-88.5-50.8173.6178.70000109I296 R298V284-I296 HydrophobicContact CB-CB 4.26Å; V284-I296 HydrophobicContact CB-CG2 4.02Å; V284-I296 HydrophobicContact CG1-CG2 4.48Å; V284-I296 HydrophobicContact CG2-CG2 4.47Å; V284-I296 PolarHBondContact N-O 2.97Å; V284-R298 HydrophobicContact CG2-CB 3.75Å; V284-R298 HydrophobicContact CG2-CG 4.31Å
285E86.2Confident85.1Confident110 Ų11052.4 Ų52.451%0.51428%0.284SS..EExtended strand (participates in β ladder)trans-146.4146.5178.6-72.7178-16700110.2I287 V295 I296E285-I287 HydrophobicContact CB-CG1 4.37Å; E285-V295 WeakPolarHBondContact O-CA 3.27Å; E285-I296 HydrophobicContact CB-CB 4.46Å; E285-I296 HydrophobicContact CB-CD1 4.3Å; E285-I296 PolarHBondContact O-N 3.21Å
286A87.8Confident85.1Confident18 Ų1850.5 Ų50.515%0.14928%0.276CS..EExtended strand (participates in β ladder)trans-121.1114.5170.200000108.5A274 L277 V283 P288 I293A274-A286 HydrophobicContact CB-CB 4.4Å; L277-A286 HydrophobicContact CB-CB 3.75Å; L277-A286 HydrophobicContact CD1-CB 4.1Å; V283-A286 HydrophobicContact CG1-CB 4.48Å; A286-P288 VanDerWaalsContact O-CD 3.27Å; A286-P288 WeakPolarHBondContact O-CD 3.45Å; A286-I293 HydrophobicContact CB-CD1 4.32Å
287I88.9Confident85Confident79 Ų7947 Ų4741%0.40526%0.264SS..EExtended strand (participates in β ladder)trans-111.796.5-170-52.7170.8000108E285 G289 T294 I296E285-I287 HydrophobicContact CB-CG1 4.37Å; I287-G289 PolarHBondContact O-N 2.94Å; I287-T294 PolarHBondContact N-O 3.15Å; I287-T294 PolarHBondContact O-N 3.28Å; I287-I296 HydrophobicContact CD1-CD1 4.16Å
288P89.4Confident84.8Confident29 Ų2954 Ų5419%0.18829%0.291CS..EExtended strand (participates in β ladder)trans-72.3124.5175.929.1-33.1000110.3I270 A274 A286 F369I270-P288 HydrophobicContact CG2-CB 3.72Å; A274-P288 HydrophobicContact CB-CB 4.27Å; A274-P288 HydrophobicContact CB-CG 4.13Å; A286-P288 VanDerWaalsContact O-CD 3.27Å; A286-P288 WeakPolarHBondContact O-CD 3.45Å; P288-F369 WeakPolarHBondContact O-CB 3.48Å
289G87Confident84.7Confident10 Ų1053.4 Ų53.410%0.10328%0.284CS..EExtended strand (participates in β ladder)trans-107.2-168.5169.200000111.3Q267 I287 N291 N292Q267-G289 PolarHBondContact NE2-O 2.79Å; Q267-G289 PolarHBondContact OE1-O 2.96Å; I287-G289 PolarHBondContact O-N 2.94Å; G289-N291 PolarHBondContact O-N 2.89Å; G289-N292 CarbonylContact C-O 3.56Å; G289-N292 WeakPolarHBondContact CA-OD1 3.16Å; G289-N292 PolarHBondContact N-O 2.89Å
290M86.1Confident84.1Confident45 Ų4547.5 Ų47.522%0.22225%0.254CS..THydrogen-bonded Turntrans-74.7113174.1-172.565.579.600110.3V262 N292 W368 F369V262-M290 HydrophobicContact CG1-CG 3.88Å; V262-M290 HydrophobicContact CG1-SD 3.53Å; V262-M290 VanDerWaalsContact CG1-SD 3.53Å; V262-M290 HydrophobicContact CG2-CG 4.48Å; M290-N292 PolarHBondContact O-N 3.28Å; M290-N292 VanDerWaalsContact O-N 3.15Å; M290-N292 PolarHBondContact O-ND2 3.4Å; M290-W368 HydrophobicContact CE-CB 3.49Å; M290-W368 VanDerWaalsContact CE-CB 3.49Å; M290-W368 HydrophobicContact CE-CD2 3.79Å; M290-W368 HydrophobicContact CE-CE3 3.94Å; M290-W368 HydrophobicContact CE-CG 3.6Å; M290-W368 HydrophobicContact SD-CB 4.04Å; M290-W368 HydrophobicContact SD-CD2 3.66Å; M290-W368 HydrophobicContact SD-CE3 3.14Å; M290-W368 HydrophobicContact SD-CG 4.04Å; M290-W368 HydrophobicContact SD-CZ3 3.77Å; M290-F369 HydrophobicContact CB-CD1 4.25Å; M290-F369 HydrophobicContact CB-CE1 3.85Å; M290-F369 HydrophobicContact CE-CD1 4.34Å; M290-F369 HydrophobicContact CE-CE1 4.09Å
291N87.8Confident83.3Confident7 Ų754.6 Ų54.64%0.03729%0.286CS..THydrogen-bonded Turntrans58.520.2-179.2-141.641000114.7L258 V262 S266 G289L258-N291 WeakPolarHBondContact CB-ND2 3.43Å; L258-N291 PolarHBondContact N-O 3.12Å; L258-N291 PolarHBondContact O-ND2 2.85Å; V262-N291 HydrophobicContact CB-CB 4.49Å; V262-N291 HydrophobicContact CG1-CB 4.27Å; V262-N291 HydrophobicContact CG2-CB 3.89Å; S266-N291 PolarHBondContact OG-OD1 3.22Å; G289-N291 PolarHBondContact O-N 2.89Å
292N89.7Confident82.4Confident41 Ų4153.7 Ų53.722%0.21928%0.282CS..EExtended strand (participates in β ladder)trans-148165.3174.365.460.3000112V255 L256 E257 G289 M290V255-N292 HydrophobicContact CG1-CB 4.46Å; L256-N292 CarbonylContact O-C 3.44Å; L256-N292 WeakPolarHBondContact O-CA 3.38Å; L256-N292 WeakPolarHBondContact O-CB 3.38Å; E257-N292 HydrophobicContact CB-CB 4.16Å; E257-N292 HydrophobicContact CG-CB 4.31Å; G289-N292 CarbonylContact C-O 3.56Å; G289-N292 WeakPolarHBondContact CA-OD1 3.16Å; G289-N292 PolarHBondContact N-O 2.89Å; M290-N292 PolarHBondContact O-N 3.28Å; M290-N292 VanDerWaalsContact O-N 3.15Å; M290-N292 PolarHBondContact O-ND2 3.4Å
293I89.5Confident81.6Confident0 Ų051.3 Ų51.30%027%0.27CS..EExtended strand (participates in β ladder)trans-138.9133.6169.8-172.5169.4000109.7V255 L256 I270 L273 A274 L277 A286 V295V255-I293 WeakPolarHBondContact CA-O 3.07Å; L256-I293 HydrophobicContact CB-CG2 3.91Å; L256-I293 HydrophobicContact CD2-CG2 4.49Å; L256-I293 PolarHBondContact N-O 2.88Å; L256-I293 PolarHBondContact O-N 3.44Å; I270-I293 HydrophobicContact CG2-CB 4.14Å; L273-I293 HydrophobicContact CB-CD1 4.5Å; L273-I293 HydrophobicContact CD2-CG2 4.06Å; L273-I293 HydrophobicContact CG-CD1 4.23Å; A274-I293 HydrophobicContact CB-CD1 3.69Å; L277-I293 HydrophobicContact CD1-CD1 3.77Å; A286-I293 HydrophobicContact CB-CD1 4.32Å; I293-V295 HydrophobicContact CG1-CG2 4.3Å
294T88.4Confident80.5Confident32 Ų3252 Ų5220%0.19628%0.276CS..EExtended strand (participates in β ladder)trans-104.4128.7172.3-56.60000109.3A253 V255 I287A253-T294 HydrophobicContact CB-CG2 4Å; V255-T294 HydrophobicContact CG2-CG2 3.94Å; V255-T294 WeakPolarHBondContact CG2-OG1 2.98Å; I287-T294 PolarHBondContact N-O 3.15Å; I287-T294 PolarHBondContact O-N 3.28Å
295V86.7Confident79.4Confident4 Ų455.5 Ų55.52%0.02429%0.292CS..EExtended strand (participates in β ladder)trans-118.2114.1-178.2-171.40000108.7A253 V254 L277 V283 E285 I293 L297 L311A253-V295 CarbonylContact C-O 3.45Å; A253-V295 VanDerWaalsContact CA-O 3.25Å; A253-V295 WeakPolarHBondContact CA-O 3.39Å; V254-V295 PolarHBondContact N-O 2.67Å; V254-V295 PolarHBondContact O-N 3.38Å; L277-V295 HydrophobicContact CD1-CG1 4.39Å; L277-V295 HydrophobicContact CD1-CG2 3.56Å; V283-V295 HydrophobicContact CB-CG1 4.35Å; V283-V295 HydrophobicContact CG1-CG1 3.71Å; V283-V295 HydrophobicContact CG2-CG1 3.79Å; E285-V295 WeakPolarHBondContact O-CA 3.27Å; I293-V295 HydrophobicContact CG1-CG2 4.3Å; V295-L297 HydrophobicContact CG1-CD2 4.18Å; V295-L311 HydrophobicContact CG2-CD1 3.77Å; V295-L311 HydrophobicContact CG2-CD2 3.94Å
296I84.4Confident78.8Confident47 Ų4754 Ų5424%0.24129%0.287CS..EExtended strand (participates in β ladder)trans-85.7128.3175.4-56.4-179000108.2A253 V284 E285 I287A253-I296 HydrophobicContact CB-CG1 4.28Å; V284-I296 HydrophobicContact CB-CB 4.26Å; V284-I296 HydrophobicContact CB-CG2 4.02Å; V284-I296 HydrophobicContact CG1-CG2 4.48Å; V284-I296 HydrophobicContact CG2-CG2 4.47Å; V284-I296 PolarHBondContact N-O 2.97Å; E285-I296 HydrophobicContact CB-CB 4.46Å; E285-I296 HydrophobicContact CB-CD1 4.3Å; E285-I296 PolarHBondContact O-N 3.21Å; I287-I296 HydrophobicContact CD1-CD1 4.16Å
297L81Confident77.9Confident15 Ų1553.5 Ų53.58%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-99.9144.5-176.4-56.8174.5000111.2T252 V254 N282 V295 P300 L303 A307T252-L297 PolarHBondContact O-N 2.94Å; V254-L297 HydrophobicContact CG2-CD1 4Å; N282-L297 WeakPolarHBondContact O-CA 3.36Å; V295-L297 HydrophobicContact CG1-CD2 4.18Å; L297-P300 HydrophobicContact CB-CB 4.5Å; L297-L303 HydrophobicContact CD1-CB 4.32Å; L297-A307 HydrophobicContact CD1-CB 3.42Å; L297-A307 VanDerWaalsContact CD1-CB 3.42Å; L297-A307 HydrophobicContact CD2-CB 4.05Å; L297-A307 HydrophobicContact CG-CB 4.37Å
298R79.9Confident77.1Confident147 Ų14751.3 Ų51.356%0.55527%0.272SS*.SBendtrans-74.3-38.4179.7-170.7176.1-64.4-77.6-3.9112.6P281 N282 V284P281-R298 PolarHBondContact O-NE 3.45Å; N282-R298 PolarHBondContact O-N 2.89Å; V284-R298 HydrophobicContact CG2-CB 3.75Å; V284-R298 HydrophobicContact CG2-CG 4.31Å
299N76.8Confident76.2Confident85 Ų8556.6 Ų56.646%0.45529%0.294SS..SBendtrans-127.668.5-178.3-62.4-33.8000110.1E301 S302 L303N299-E301 VanDerWaalsContact C-N 3.28Å; N299-E301 PolarHBondContact O-N 3.42Å; N299-S302 PolarHBondContact O-OG 2.97Å; N299-L303 HydrophobicContact CB-CD1 4.05Å; N299-L303 WeakPolarHBondContact O-CB 3.4Å; N299-L303 WeakPolarHBondContact O-CD1 3.43Å; N299-L303 WeakPolarHBondContact O-CG 3.34Å; N299-L303 PolarHBondContact O-N 3.32Å
300P66.2Low75.7Confident19 Ų1962.1 Ų62.112%0.12331%0.312CS..Hα-helixtrans-61.9-33.6-17121.3-31.4000114.2E251 T252 L297 S302 L303 A304E251-P300 WeakPolarHBondContact O-CB 3Å; T252-P300 HydrophobicContact CG2-CG 4.07Å; L297-P300 HydrophobicContact CB-CB 4.5Å; P300-S302 PolarHBondContact O-N 2.77Å; P300-S302 VanDerWaalsContact O-N 3.15Å; P300-L303 PolarHBondContact O-N 3.31Å; P300-A304 WeakPolarHBondContact O-CB 3.47Å; P300-A304 PolarHBondContact O-N 3.29Å
301E63.2Low75.3Confident199 Ų19960.1 Ų60.193%0.9330%0.302SS*.Hα-helixtrans-59.5-30.9-173-51.1-169.5-138.700113.2N299N299-E301 VanDerWaalsContact C-N 3.28Å; N299-E301 PolarHBondContact O-N 3.42Å
302S61.4Low74.8Confident90 Ų9063.1 Ų63.163%0.62932%0.316SS*.Hα-helixtrans-102.4-7.9177.357.60000113.8N299 P300N299-S302 PolarHBondContact O-OG 2.97Å; P300-S302 PolarHBondContact O-N 2.77Å; P300-S302 VanDerWaalsContact O-N 3.15Å
303L65.4Low74.1Confident25 Ų2568.3 Ų68.313%0.13133%0.332CS..Hα-helixtrans-122.2-13.6-167-66.7173.6000114.2N282 L297 N299 P300 L305 D306 A307N282-L303 HydrophobicContact CB-CD1 3.77Å; L297-L303 HydrophobicContact CD1-CB 4.32Å; N299-L303 HydrophobicContact CB-CD1 4.05Å; N299-L303 WeakPolarHBondContact O-CB 3.4Å; N299-L303 WeakPolarHBondContact O-CD1 3.43Å; N299-L303 WeakPolarHBondContact O-CG 3.34Å; N299-L303 PolarHBondContact O-N 3.32Å; P300-L303 PolarHBondContact O-N 3.31Å; L303-L305 PolarHBondContact O-N 3.16Å; L303-D306 CarbonylContact O-C 3.6Å; L303-D306 PolarHBondContact O-N 2.78Å; L303-A307 WeakPolarHBondContact O-CA 3.28Å; L303-A307 WeakPolarHBondContact O-CB 3.49Å; L303-A307 PolarHBondContact O-N 3.32Å
304A59.1Low73.5Confident23 Ų2370.7 Ų70.719%0.1934%0.342CS..Hα-helixtrans-57.1-47.3-167.900000114.1L248 P300 I308L248-A304 HydrophobicContact CD1-CB 4.06Å; L248-A304 HydrophobicContact CD2-CB 3.92Å; P300-A304 WeakPolarHBondContact O-CB 3.47Å; P300-A304 PolarHBondContact O-N 3.29Å; A304-I308 PolarHBondContact O-N 3.01Å
305L63.4Low73.1Confident141 Ų14169.5 Ų69.574%0.73833%0.333SS*.Hα-helixtrans-71.2-46.8176.7-83158.1000111.9L303 A307 I308 E309L303-L305 PolarHBondContact O-N 3.16Å; L305-A307 PolarHBondContact O-N 3.27Å; L305-I308 WeakPolarHBondContact O-CB 3.36Å; L305-I308 PolarHBondContact O-N 3.01Å; L305-I308 VanDerWaalsContact O-N 3.14Å; L305-E309 PolarHBondContact O-N 2.96Å
306D72Confident72.5Confident77 Ų7776.3 Ų76.341%0.41237%0.365SS..Hα-helixtrans-56.8-34174.6-95.433000112.2L303 R310L303-D306 CarbonylContact O-C 3.6Å; L303-D306 PolarHBondContact O-N 2.78Å; D306-R310 WeakPolarHBondContact O-CB 3.41Å; D306-R310 WeakPolarHBondContact O-CD 3.27Å; D306-R310 WeakPolarHBondContact O-CG 3.37Å; D306-R310 PolarHBondContact O-N 3.39Å
307A69.5Low71.8Confident9 Ų978 Ų787%0.07437%0.372CS..Hα-helixtrans-75.6-33.1-178.600000111.7V254 L297 L303 L305 L311V254-A307 HydrophobicContact CG2-CB 3.86Å; L297-A307 HydrophobicContact CD1-CB 3.42Å; L297-A307 VanDerWaalsContact CD1-CB 3.42Å; L297-A307 HydrophobicContact CD2-CB 4.05Å; L297-A307 HydrophobicContact CG-CB 4.37Å; L303-A307 WeakPolarHBondContact O-CA 3.28Å; L303-A307 WeakPolarHBondContact O-CB 3.49Å; L303-A307 PolarHBondContact O-N 3.32Å; L305-A307 PolarHBondContact O-N 3.27Å; A307-L311 WeakPolarHBondContact O-CB 3.47Å; A307-L311 PolarHBondContact O-N 2.75Å
308I71.8Confident71Confident33 Ų3377.4 Ų77.417%0.16937%0.369CS..Hα-helixtrans-60.4-52.9170.6-72.3166.7000109.7C246 L248 V254 A304 L305 R310 L311 Q312C246-I308 HydrophobicContact CB-CG2 3.73Å; L248-I308 HydrophobicContact CG-CD1 4.21Å; V254-I308 HydrophobicContact CG1-CG1 3.77Å; V254-I308 HydrophobicContact CG2-CG1 4.18Å; A304-I308 PolarHBondContact O-N 3.01Å; L305-I308 WeakPolarHBondContact O-CB 3.36Å; L305-I308 PolarHBondContact O-N 3.01Å; L305-I308 VanDerWaalsContact O-N 3.14Å; I308-R310 PolarHBondContact O-N 2.89Å; I308-L311 PolarHBondContact O-N 3.2Å; I308-Q312 PolarHBondContact O-N 3.07Å
309E71.5Confident69.9Low139 Ų13977 Ų7765%0.6537%0.373SS*.Hα-helixtrans-62.8-43.3179.5-72.2-171.5171.200111.6L305 L311 Q312 R313L305-E309 PolarHBondContact O-N 2.96Å; E309-L311 PolarHBondContact O-N 3.44Å; E309-Q312 PolarHBondContact O-N 3.06Å; E309-R313 VanDerWaalsContact O-CB 3.22Å; E309-R313 WeakPolarHBondContact O-CB 3.36Å; E309-R313 PolarHBondContact O-N 2.65Å
310R76.5Confident68.9Low127 Ų12776.4 Ų76.448%0.47938%0.38SS..Hα-helixtrans-62.6-41176.3-76.1167.1-174.2-94.30.8111.9D306 I308 R313 W314D306-R310 WeakPolarHBondContact O-CB 3.41Å; D306-R310 WeakPolarHBondContact O-CD 3.27Å; D306-R310 WeakPolarHBondContact O-CG 3.37Å; D306-R310 PolarHBondContact O-N 3.39Å; I308-R310 PolarHBondContact O-N 2.89Å; R310-R313 PolarHBondContact O-N 3.27Å; R310-W314 HydrophobicContact CB-CD2 4.4Å; R310-W314 HydrophobicContact CB-CE3 4.33Å; R310-W314 HydrophobicContact CB-CH2 3.97Å; R310-W314 HydrophobicContact CB-CZ2 3.99Å; R310-W314 HydrophobicContact CB-CZ3 4.14Å; R310-W314 HydrophobicContact CG-CZ2 4.44Å; R310-W314 WeakPolarHBondContact O-CB 3.44Å; R310-W314 PolarHBondContact O-N 2.73Å
311L77.4Confident68.3Low2 Ų280 Ų801%0.0140%0.398CS..Hα-helixtrans-69.8-41-179.3-168.164.2000111.4V254 L256 L273 L277 V295 A307 I308 E309 R313 W314 W315V254-L311 HydrophobicContact CB-CD2 4.32Å; V254-L311 HydrophobicContact CG1-CD2 3.71Å; L256-L311 HydrophobicContact CB-CD2 3.61Å; L256-L311 HydrophobicContact CB-CG 4.01Å; L256-L311 HydrophobicContact CD1-CG 4.04Å; L273-L311 HydrophobicContact CD1-CD1 4.46Å; L273-L311 HydrophobicContact CD2-CD1 4.02Å; L273-L311 HydrophobicContact CG-CD1 4.46Å; L277-L311 HydrophobicContact CD1-CD1 3.91Å; L277-L311 HydrophobicContact CD2-CD1 4.44Å; V295-L311 HydrophobicContact CG2-CD1 3.77Å; V295-L311 HydrophobicContact CG2-CD2 3.94Å; A307-L311 WeakPolarHBondContact O-CB 3.47Å; A307-L311 PolarHBondContact O-N 2.75Å; I308-L311 PolarHBondContact O-N 3.2Å; E309-L311 PolarHBondContact O-N 3.44Å; L311-R313 VanDerWaalsContact C-N 3.35Å; L311-W314 HydrophobicContact CD1-CE3 4.06Å; L311-W314 PolarHBondContact O-N 2.92Å; L311-W315 WeakPolarHBondContact O-CB 3.49Å; L311-W315 PolarHBondContact O-N 3.48Å
312Q76.5Confident68Low70 Ų7077.5 Ų77.533%0.32739%0.386SS..Hα-helixtrans-58.2-47.9169.7-96.6170.5-25.600111.3C246 I308 E309 W314 W315 E316C246-Q312 HydrophobicContact CB-CG 4.39Å; I308-Q312 PolarHBondContact O-N 3.07Å; E309-Q312 PolarHBondContact O-N 3.06Å; Q312-W314 PolarHBondContact O-N 2.86Å; Q312-W315 WeakPolarHBondContact O-CB 3.45Å; Q312-W315 PolarHBondContact O-N 3.49Å; Q312-E316 WeakPolarHBondContact O-CG 3.43Å; Q312-E316 PolarHBondContact O-N 2.9Å
313R76.5Confident68.1Low150 Ų15074.6 Ų74.657%0.56637%0.365SS*.Hα-helixtrans-63.5-42.9178.6-175.8-178.9147.1-178.4-5.4112.1E309 R310 L311 W315 E316 E317E309-R313 VanDerWaalsContact O-CB 3.22Å; E309-R313 WeakPolarHBondContact O-CB 3.36Å; E309-R313 PolarHBondContact O-N 2.65Å; R310-R313 PolarHBondContact O-N 3.27Å; L311-R313 VanDerWaalsContact C-N 3.35Å; R313-W315 VanDerWaalsContact C-N 3.29Å; R313-W315 PolarHBondContact O-N 3.1Å; R313-E316 PolarHBondContact O-N 3.08Å; R313-E317 HydrophobicContact CG-CG 4.34Å; R313-E317 IonicContact CZ-OE1 3.47Å; R313-E317 VanDerWaalsContact CZ-OE1 3.31Å; R313-E317 IonicContact NE-OE1 3.24Å; R313-E317 PolarHBondContact NE-OE1 3.49Å; R313-E317 IonicContact NH2-OE1 2.74Å; R313-E317 PolarHBondContact NH2-OE1 3.49Å; R313-E317 WeakPolarHBondContact O-CB 3.11Å; R313-E317 VanDerWaalsContact O-CG 3.27Å; R313-E317 WeakPolarHBondContact O-CG 3.18Å; R313-E317 PolarHBondContact O-N 3.06Å
314W76.7Confident68.2Low51 Ų5182.4 Ų82.419%0.19340%0.401CS..Hα-helixtrans-66.3-33.2175.8-67.2-33.3000112.3L273 L277 M280 R310 L311 Q312 E317 S318L273-W314 HydrophobicContact CD1-CB 3.57Å; L277-W314 HydrophobicContact CD2-CD2 4.25Å; L277-W314 HydrophobicContact CD2-CE3 3.33Å; L277-W314 HydrophobicContact CD2-CH2 4.08Å; L277-W314 HydrophobicContact CD2-CZ3 3.21Å; M280-W314 HydrophobicContact CE-CD2 3.98Å; M280-W314 VanDerWaalsContact CE-CE2 3.47Å; M280-W314 HydrophobicContact CE-CE3 4.49Å; M280-W314 HydrophobicContact CE-CH2 4.1Å; M280-W314 HydrophobicContact CE-CZ2 3.56Å; M280-W314 HydrophobicContact SD-CD2 4.31Å; M280-W314 HydrophobicContact SD-CE3 4.36Å; M280-W314 HydrophobicContact SD-CH2 3.18Å; M280-W314 WeakPolarHBondContact SD-CH2 3.46Å; M280-W314 HydrophobicContact SD-CZ2 3.11Å; M280-W314 WeakPolarHBondContact SD-CZ2 3.4Å; M280-W314 HydrophobicContact SD-CZ3 3.85Å; R310-W314 HydrophobicContact CB-CD2 4.4Å; R310-W314 HydrophobicContact CB-CE3 4.33Å; R310-W314 HydrophobicContact CB-CH2 3.97Å; R310-W314 HydrophobicContact CB-CZ2 3.99Å; R310-W314 HydrophobicContact CB-CZ3 4.14Å; R310-W314 HydrophobicContact CG-CZ2 4.44Å; R310-W314 WeakPolarHBondContact O-CB 3.44Å; R310-W314 PolarHBondContact O-N 2.73Å; L311-W314 HydrophobicContact CD1-CE3 4.06Å; L311-W314 PolarHBondContact O-N 2.92Å; Q312-W314 PolarHBondContact O-N 2.86Å; W314-E317 CarbonylContact O-C 3.41Å; W314-S318 WeakPolarHBondContact O-CA 3.47Å; W314-S318 WeakPolarHBondContact O-CB 3.17Å; W314-S318 PolarHBondContact O-N 2.87Å; W314-S318 PolarHBondContact O-OG 3.27Å
315W79.4Confident69.1Low6 Ų684.7 Ų84.72%0.02342%0.415CS..Hα-helixtrans-63.2-46.1170.6170.1-108.2000111.3L256 L258 R269 I270 L273 L311 Q312 R313 S318L256-W315 HydrophobicContact CD1-CB 3.44Å; L256-W315 VanDerWaalsContact CD1-CB 3.44Å; L256-W315 HydrophobicContact CD1-CD2 4.39Å; L256-W315 HydrophobicContact CD1-CG 3.79Å; L256-W315 HydrophobicContact CD2-CD2 4.29Å; L256-W315 HydrophobicContact CD2-CE3 4.38Å; L256-W315 HydrophobicContact CD2-CG 4.46Å; L258-W315 HydrophobicContact CD1-CH2 3.25Å; L258-W315 HydrophobicContact CD1-CZ2 3.49Å; L258-W315 VanDerWaalsContact CD1-CZ2 3.49Å; L258-W315 HydrophobicContact CD1-CZ3 3.99Å; L258-W315 HydrophobicContact CD2-CD2 4.24Å; L258-W315 HydrophobicContact CD2-CH2 3.95Å; L258-W315 HydrophobicContact CD2-CZ2 3.36Å; L258-W315 HydrophobicContact CG-CH2 4.2Å; L258-W315 HydrophobicContact CG-CZ2 4.07Å; R269-W315 HydrophobicContact CB-CE3 4.29Å; R269-W315 HydrophobicContact CB-CH2 3.67Å; R269-W315 HydrophobicContact CB-CZ3 3.36Å; R269-W315 HydrophobicContact CG-CH2 4.46Å; R269-W315 HydrophobicContact CG-CZ3 4.49Å; R269-W315 PolarHBondContact NH2-O 3.39Å; I270-W315 HydrophobicContact CG1-CZ3 4.01Å; L273-W315 HydrophobicContact CD2-CB 4.39Å; L273-W315 HydrophobicContact CD2-CE3 4.33Å; L311-W315 WeakPolarHBondContact O-CB 3.49Å; L311-W315 PolarHBondContact O-N 3.48Å; Q312-W315 WeakPolarHBondContact O-CB 3.45Å; Q312-W315 PolarHBondContact O-N 3.49Å; R313-W315 VanDerWaalsContact C-N 3.29Å; R313-W315 PolarHBondContact O-N 3.1Å; W315-S318 WeakPolarHBondContact CA-OG 3.44Å; W315-S318 PolarHBondContact O-N 2.92Å; W315-S318 PolarHBondContact O-OG 3.45Å
316E73.2Confident70.4Confident147 Ų14781.5 Ų81.569%0.68739%0.394SS*.Hα-helixtrans-63.7-39.7175.9-70171.2-179.200112.2Q312 R313 S318Q312-E316 WeakPolarHBondContact O-CG 3.43Å; Q312-E316 PolarHBondContact O-N 2.9Å; R313-E316 PolarHBondContact O-N 3.08Å; E316-S318 VanDerWaalsContact C-N 3.29Å; E316-S318 PolarHBondContact O-N 2.83Å
317E69.6Low71.4Confident83 Ų8382.4 Ų82.439%0.38839%0.394SS..THydrogen-bonded Turntrans-78.1-8.6175.4-68.8174.3175.100113.5R276 R313 W314 E319R276-E317 PolarHBondContact NH1-O 3.04Å; R313-E317 HydrophobicContact CG-CG 4.34Å; R313-E317 IonicContact CZ-OE1 3.47Å; R313-E317 VanDerWaalsContact CZ-OE1 3.31Å; R313-E317 IonicContact NE-OE1 3.24Å; R313-E317 PolarHBondContact NE-OE1 3.49Å; R313-E317 IonicContact NH2-OE1 2.74Å; R313-E317 PolarHBondContact NH2-OE1 3.49Å; R313-E317 WeakPolarHBondContact O-CB 3.11Å; R313-E317 VanDerWaalsContact O-CG 3.27Å; R313-E317 WeakPolarHBondContact O-CG 3.18Å; R313-E317 PolarHBondContact O-N 3.06Å; W314-E317 CarbonylContact O-C 3.41Å; E317-E319 PolarHBondContact O-N 3.37Å; E317-E319 VanDerWaalsContact O-N 3.13Å
318S64.9Low72.4Confident2 Ų283.1 Ų83.11%0.01440%0.396CS..  trans-82.994.1-17961.90000110.3R269 W314 W315 E316R269-S318 PolarHBondContact NE-O 3.32Å; R269-S318 VanDerWaalsContact NE-O 3.13Å; W314-S318 WeakPolarHBondContact O-CA 3.47Å; W314-S318 WeakPolarHBondContact O-CB 3.17Å; W314-S318 PolarHBondContact O-N 2.87Å; W314-S318 PolarHBondContact O-OG 3.27Å; W315-S318 WeakPolarHBondContact CA-OG 3.44Å; W315-S318 PolarHBondContact O-N 2.92Å; W315-S318 PolarHBondContact O-OG 3.45Å; E316-S318 VanDerWaalsContact C-N 3.29Å; E316-S318 PolarHBondContact O-N 2.83Å
319E57.1Low73.5Confident139 Ų13985.5 Ų85.565%0.6541%0.407SS*.  trans-64.4144.7165.6-68-176.4165.700110.8E317 L321E317-E319 PolarHBondContact O-N 3.37Å; E317-E319 VanDerWaalsContact O-N 3.13Å; E319-L321 PolarHBondContact O-N 3.43Å
320A55.4Low74.5Confident72 Ų7278.9 Ų78.960%0.59538%0.376SS*.  trans-71.499.3172.800000109.7R269R269-A320 HydrophobicContact CG-CB 4.08Å
321L53.5Low75Confident96 Ų9674.7 Ų74.750%0.50337%0.365SS..  trans-105.4128.4163.6-100.5148.1000107.9E319 P323E319-L321 PolarHBondContact O-N 3.43Å; L321-P323 WeakPolarHBondContact O-CD 3.48Å
322E58Low75.7Confident146 Ų14674.6 Ų74.668%0.68237%0.365SS*.  trans-70.2120179-63.3-161.8140.800109.8K268K268-E322 HydrophobicContact CD-CG 4.5Å; K268-E322 IonicContact NZ-OE1 3.72Å; K268-E322 PolarHBondContact NZ-OE1 3.14Å
323P62.6Low76.3Confident28 Ų2873 Ų7318%0.18236%0.36CS..  trans-62.8153.8169.225.3-30.1000110W271 L321 S325W271-P323 HydrophobicContact CE3-CG 3.61Å; W271-P323 HydrophobicContact CZ3-CG 4.1Å; L321-P323 WeakPolarHBondContact O-CD 3.48Å; P323-S325 PolarHBondContact O-N 2.9Å
324E68.1Low77Confident190 Ų19067.4 Ų67.489%0.88834%0.339SS*.  trans-58.6111.9174.2-134.2-179.5-174.100109
325S77.8Confident77.7Confident70 Ų7065.2 Ų65.249%0.4933%0.332SS..PPolyproline II helixtrans-92.5122-179.3-172.50000109.1P323 G445 S447P323-S325 PolarHBondContact O-N 2.9Å; S325-G445 WeakPolarHBondContact CB-O 3.4Å; S325-G445 PolarHBondContact OG-O 3.48Å; S325-S447 PolarHBondContact OG-N 2.94Å
326R90.3Very high78Confident75 Ų7567.9 Ų67.928%0.28336%0.361SS..PPolyproline II helixtrans-91.5138.8170.6-50.4176.8-63.5167.19108.6I328 E438 L441 D446 S447R326-I328 HydrophobicContact CB-CG1 4.45Å; R326-E438 IonicContact NH1-OE2 2.63Å; R326-L441 PolarHBondContact NH2-O 2.92Å; R326-D446 VanDerWaalsContact CB-OD1 3.25Å; R326-D446 WeakPolarHBondContact CB-OD1 3.39Å; R326-D446 WeakPolarHBondContact CG-OD1 3.24Å; R326-D446 IonicContact CZ-OD1 2.84Å; R326-D446 IonicContact CZ-OD2 2.72Å; R326-D446 PolarHBondContact N-OD1 3.41Å; R326-D446 IonicContact NE-OD1 3.95Å; R326-D446 PolarHBondContact NE-OD1 2.81Å; R326-D446 IonicContact NE-OD2 2.93Å; R326-D446 PolarHBondContact NE-OD2 2.72Å; R326-D446 IonicContact NH2-OD1 3.42Å; R326-D446 IonicContact NH2-OD2 2.92Å; R326-D446 PolarHBondContact NH2-OD2 3.3Å; R326-D446 CarbonylContact O-C 3.24Å; R326-D446 WeakPolarHBondContact O-CA 3.32Å; R326-S447 PolarHBondContact O-N 3.33Å
327F92.5Very high78.4Confident95 Ų9565.5 Ų65.542%0.41737%0.367SS..EExtended strand (participates in β ladder)trans-93.2123.2171.8-178-100.8000110.1E329 E364 S447 R449F327-E329 HydrophobicContact CD1-CG 4.35Å; F327-E329 HydrophobicContact CE1-CG 3.54Å; F327-E329 HydrophobicContact CZ-CG 4.1Å; F327-E364 HydrophobicContact CD2-CG 4.37Å; F327-E364 HydrophobicContact CE2-CG 3.99Å; F327-S447 CarbonylContact C-O 3.6Å; F327-S447 VanDerWaalsContact CA-O 3.32Å; F327-S447 WeakPolarHBondContact CA-O 3.33Å; F327-S447 WeakPolarHBondContact CD2-OG 3.18Å; F327-R449 HydrophobicContact CE2-CB 3.95Å; F327-R449 HydrophobicContact CZ-CB 3.67Å
328I92.2Very high79Confident25 Ų2562.3 Ų62.313%0.12836%0.356CS..EExtended strand (participates in β ladder)trans-127.5123.5-174.3-60.1175.2000109.9R326 I330 L442 D446 S447 V448 R449R326-I328 HydrophobicContact CB-CG1 4.45Å; I328-I330 HydrophobicContact CG2-CG1 4.5Å; I328-L442 HydrophobicContact CB-CD2 4.03Å; I328-L442 HydrophobicContact CD1-CD2 3.47Å; I328-L442 VanDerWaalsContact CD1-CD2 3.47Å; I328-L442 HydrophobicContact CG1-CD2 4.32Å; I328-L442 HydrophobicContact CG2-CD2 3.84Å; I328-D446 HydrophobicContact CD1-CB 4.44Å; I328-D446 WeakPolarHBondContact CD1-OD2 3.46Å; I328-S447 PolarHBondContact N-O 3.24Å; I328-V448 VanDerWaalsContact O-CA 3.26Å; I328-V448 WeakPolarHBondContact O-CA 3.34Å; I328-R449 PolarHBondContact O-N 3.31Å
329E93Very high80.3Confident82 Ų8262.3 Ų62.338%0.38336%0.357SS..EExtended strand (participates in β ladder)trans-93.3128.2174.8-65.2-167.2133.500111.2F327 R449 V451F327-E329 HydrophobicContact CD1-CG 4.35Å; F327-E329 HydrophobicContact CE1-CG 3.54Å; F327-E329 HydrophobicContact CZ-CG 4.1Å; E329-R449 CarbonylContact C-O 3.48Å; E329-R449 WeakPolarHBondContact CA-O 3.41Å; E329-R449 IonicContact OE1-CZ 3.32Å; E329-R449 IonicContact OE1-NE 2.88Å; E329-R449 PolarHBondContact OE1-NE 3.07Å; E329-R449 IonicContact OE1-NH2 3.71Å; E329-R449 PolarHBondContact OE1-NH2 2.64Å; E329-V451 HydrophobicContact CB-CG2 3.83Å; E329-V451 HydrophobicContact CG-CG2 4.06Å
330I92.6Very high82.1Confident0 Ų059 Ų590%035%0.347CS..EExtended strand (participates in β ladder)trans-108.6110.7177-59.7-178.5000108.6I328 V332 V412 T427 L429 L442 V448 R449 F450 V451I328-I330 HydrophobicContact CG2-CG1 4.5Å; I330-V332 HydrophobicContact CG2-CG2 4.12Å; I330-V332 PolarHBondContact O-N 3.41Å; I330-V412 HydrophobicContact CD1-CG2 4.29Å; I330-T427 HydrophobicContact CG2-CG2 3.84Å; I330-T427 WeakPolarHBondContact CG2-OG1 3.46Å; I330-L429 HydrophobicContact CG1-CD2 4.27Å; I330-L442 HydrophobicContact CD1-CD1 4.26Å; I330-V448 HydrophobicContact CD1-CG1 3.57Å; I330-V448 HydrophobicContact CG1-CG1 3.91Å; I330-R449 PolarHBondContact N-O 3.2Å; I330-F450 HydrophobicContact CB-CD1 3.9Å; I330-F450 HydrophobicContact CB-CE1 4.22Å; I330-F450 HydrophobicContact CD1-CE1 4.2Å; I330-F450 HydrophobicContact CG2-CD1 4.06Å; I330-F450 HydrophobicContact CG2-CE1 4.19Å; I330-F450 CarbonylContact O-C 3.54Å; I330-F450 WeakPolarHBondContact O-CA 3.21Å; I330-V451 PolarHBondContact O-N 3.25Å
331P88.6Confident84Confident40 Ų4055.8 Ų55.826%0.2632%0.32SS..EExtended strand (participates in β ladder)trans-69.8129.3176.426.6-31.2000110.3T427 V451 Q453P331-T427 WeakPolarHBondContact O-CA 3.31Å; P331-T427 WeakPolarHBondContact O-CB 3.35Å; P331-T427 PolarHBondContact O-OG1 3.36Å; P331-V451 CarbonylContact C-O 3.52Å; P331-V451 WeakPolarHBondContact CA-O 3.49Å; P331-Q453 HydrophobicContact CB-CG 3.57Å
332V91Very high86.1Confident0 Ų051.5 Ų51.50%030%0.297CS..EExtended strand (participates in β ladder)trans-131.3125.4-176.6-176.30000110.6I330 Y334 V403 H426 F450 V451 P452 Q453I330-V332 HydrophobicContact CG2-CG2 4.12Å; I330-V332 PolarHBondContact O-N 3.41Å; V332-Y334 HydrophobicContact CB-CD2 4.06Å; V332-Y334 HydrophobicContact CB-CE2 3.62Å; V332-Y334 HydrophobicContact CG1-CD1 4.22Å; V332-Y334 HydrophobicContact CG1-CD2 3.88Å; V332-Y334 HydrophobicContact CG1-CE1 4.1Å; V332-Y334 HydrophobicContact CG1-CE2 3.75Å; V332-Y334 HydrophobicContact CG1-CG 4.12Å; V332-Y334 WeakPolarHBondContact O-CD2 3.41Å; V332-V403 HydrophobicContact CB-CG2 4.48Å; V332-V403 HydrophobicContact CG1-CB 4.31Å; V332-V403 HydrophobicContact CG1-CG2 3.83Å; V332-V403 HydrophobicContact CG2-CG2 3.75Å; V332-H426 WeakPolarHBondContact CA-O 3.25Å; V332-F450 HydrophobicContact CG2-CB 4.14Å; V332-F450 HydrophobicContact CG2-CD1 3.49Å; V332-F450 VanDerWaalsContact CG2-CD1 3.49Å; V332-F450 HydrophobicContact CG2-CE1 4.31Å; V332-F450 HydrophobicContact CG2-CG 4.24Å; V332-V451 PolarHBondContact N-O 3.06Å; V332-P452 CarbonylContact O-C 3.45Å; V332-P452 WeakPolarHBondContact O-CA 3.43Å; V332-Q453 PolarHBondContact O-N 3.5Å
333V88.7Confident87.9Confident37 Ų3747 Ų4722%0.22429%0.285CS..EExtended strand (participates in β ladder)trans-82.7111.9163176.80000107.5G425 H426 Q453 E455V333-G425 CarbonylContact O-C 3.44Å; V333-G425 WeakPolarHBondContact O-CA 3.47Å; V333-H426 PolarHBondContact N-O 3.04Å; V333-H426 PolarHBondContact O-N 3.48Å; V333-Q453 HydrophobicContact CG2-CB 4.2Å; V333-E455 HydrophobicContact CG1-CG 3.48Å; V333-E455 VanDerWaalsContact CG1-CG 3.48Å; V333-E455 HydrophobicContact CG2-CG 4.34Å
334Y92.2Very high89.4Confident31 Ų3149 Ų4912%0.12230%0.297CS..EExtended strand (participates in β ladder)trans-87.5145.3180-72-92.4000111.7V332 V357 H360 I424 F450 P452V332-Y334 HydrophobicContact CB-CD2 4.06Å; V332-Y334 HydrophobicContact CB-CE2 3.62Å; V332-Y334 HydrophobicContact CG1-CD1 4.22Å; V332-Y334 HydrophobicContact CG1-CD2 3.88Å; V332-Y334 HydrophobicContact CG1-CE1 4.1Å; V332-Y334 HydrophobicContact CG1-CE2 3.75Å; V332-Y334 HydrophobicContact CG1-CG 4.12Å; V332-Y334 WeakPolarHBondContact O-CD2 3.41Å; Y334-V357 HydrophobicContact CD1-CB 4.48Å; Y334-V357 HydrophobicContact CD1-CG1 4.34Å; Y334-V357 HydrophobicContact CD1-CG2 3.76Å; Y334-V357 HydrophobicContact CD2-CG1 3.66Å; Y334-V357 HydrophobicContact CD2-CG2 4.29Å; Y334-V357 HydrophobicContact CE2-CG1 3.96Å; Y334-V357 HydrophobicContact CG-CB 4.32Å; Y334-V357 HydrophobicContact CG-CG1 3.85Å; Y334-V357 HydrophobicContact CG-CG2 3.6Å; Y334-H360 AromaticContact CE1-ND1 3.52Å; Y334-H360 AromaticContact CZ-ND1 3.58Å; Y334-H360 PolarHBondContact OH-ND1 2.87Å; Y334-I424 WeakPolarHBondContact CA-O 3.35Å; Y334-I424 HydrophobicContact CD1-CD1 4.47Å; Y334-I424 HydrophobicContact CD1-CG1 4.42Å; Y334-I424 WeakPolarHBondContact CD1-O 3.41Å; Y334-I424 HydrophobicContact CE1-CD1 3.97Å; Y334-I424 HydrophobicContact CE1-CG1 4.28Å; Y334-F450 WeakPolarHBondContact OH-CB 3.43Å; Y334-P452 HydrophobicContact CD2-CB 3.97Å; Y334-P452 HydrophobicContact CD2-CG 4.25Å; Y334-P452 HydrophobicContact CE2-CB 3.94Å; Y334-P452 HydrophobicContact CE2-CG 3.78Å
335G90.8Very high90.7Very high6 Ų640 Ų406%0.06226%0.255CS..SBendtrans72.9-162.5178.200000113.7G338 G339 I424G335-G338 PolarHBondContact O-N 3.44Å; G335-G339 PolarHBondContact O-N 2.96Å; G335-I424 PolarHBondContact N-O 3.33Å
336G85.2Confident91.6Very high61 Ų6136.9 Ų36.963%0.62923%0.233SC*.THydrogen-bonded Turntrans60-145.5-178.600000113.1G338 G339G336-G338 VanDerWaalsContact C-N 3.3Å; G336-G338 PolarHBondContact O-N 3.21Å; G336-G339 CarbonylContact O-C 3.59Å
337A81.5Confident91.8Very high98 Ų9837.1 Ų37.181%0.8125%0.251SS*.THydrogen-bonded Turntrans-70.5-26.2178.600000113.1
338G83.3Confident91.9Very high15 Ų1537.7 Ų37.716%0.15526%0.255CS..THydrogen-bonded Turntrans-79.3-27.3179.100000113.9G335 G336 P340 G425G335-G338 PolarHBondContact O-N 3.44Å; G336-G338 VanDerWaalsContact C-N 3.3Å; G336-G338 PolarHBondContact O-N 3.21Å; G338-P340 VanDerWaalsContact C-CD 3.5Å; G338-G425 CarbonylContact O-C 3.19Å; G338-G425 VanDerWaalsContact O-C 3.28Å; G338-G425 VanDerWaalsContact O-O 3.08Å
339G92.5Very high92Very high3 Ų337.8 Ų37.83%0.03126%0.257CS..  trans-129.161179.900000113.5G335 G336 D341 L342 L423G335-G339 PolarHBondContact O-N 2.96Å; G336-G339 CarbonylContact O-C 3.59Å; G339-D341 PolarHBondContact O-N 3.25Å; G339-D341 VanDerWaalsContact O-N 3.12Å; G339-L342 WeakPolarHBondContact O-CB 3.41Å; G339-L342 PolarHBondContact O-N 3.31Å; G339-L342 VanDerWaalsContact O-N 3.1Å; G339-L423 CarbonylContact C-O 3.57Å; G339-L423 VanDerWaalsContact CA-O 3.28Å; G339-L423 WeakPolarHBondContact CA-O 3.36Å
340P93.7Very high92.1Very high68 Ų6837.2 Ų37.244%0.44227%0.273SS..THydrogen-bonded Turntrans-64.5-17.1-172.527.2-37.2000114.7G338 L423G338-P340 VanDerWaalsContact C-CD 3.5Å; P340-L423 HydrophobicContact CG-CB 4.27Å; P340-L423 HydrophobicContact CG-CD1 4.48Å
341D96.3Very high92.2Very high5 Ų539.3 Ų39.33%0.02729%0.285CS..THydrogen-bonded Turntrans-97.62.2178-56.3-50.4000113G339 A343 V344 V345 R391 R395 Q422 L423G339-D341 PolarHBondContact O-N 3.25Å; G339-D341 VanDerWaalsContact O-N 3.12Å; D341-A343 VanDerWaalsContact C-N 3.3Å; D341-A343 PolarHBondContact O-N 3.01Å; D341-V344 HydrophobicContact CB-CB 4.45Å; D341-V344 WeakPolarHBondContact O-CA 2.8Å; D341-V344 WeakPolarHBondContact O-CB 3.47Å; D341-V344 PolarHBondContact O-N 3.4Å; D341-V345 WeakPolarHBondContact O-CG2 3.17Å; D341-V345 PolarHBondContact O-N 2.83Å; D341-R391 IonicContact OD1-NH1 3.85Å; D341-R391 PolarHBondContact OD1-NH1 3.47Å; D341-R395 IonicContact OD1-CZ 3.67Å; D341-R395 IonicContact OD1-NH1 3.39Å; D341-R395 IonicContact OD1-NH2 3.89Å; D341-R395 PolarHBondContact OD1-NH2 3.17Å; D341-R395 IonicContact OD2-CZ 3.24Å; D341-R395 IonicContact OD2-NH1 3.68Å; D341-R395 PolarHBondContact OD2-NH1 3.32Å; D341-R395 IonicContact OD2-NH2 2.69Å; D341-R395 PolarHBondContact OD2-NH2 3.09Å; D341-Q422 HydrophobicContact CB-CB 3.98Å; D341-Q422 WeakPolarHBondContact OD2-CA 3.22Å; D341-L423 WeakPolarHBondContact CA-O 3.32Å; D341-L423 WeakPolarHBondContact CB-O 3.35Å; D341-L423 PolarHBondContact N-O 2.77Å; D341-L423 PolarHBondContact OD2-N 2.76Å
342L96.7Very high92.5Very high6 Ų640 Ų403%0.03129%0.291CS..Hα-helixtrans-55.6-44.6-178-179.463000112.1G339 V344 V345 A346 E353 V356 V357 I424G339-L342 WeakPolarHBondContact O-CB 3.41Å; G339-L342 PolarHBondContact O-N 3.31Å; G339-L342 VanDerWaalsContact O-N 3.1Å; L342-V344 VanDerWaalsContact C-N 3.31Å; L342-V344 PolarHBondContact O-N 3.45Å; L342-V345 PolarHBondContact O-N 3.47Å; L342-A346 VanDerWaalsContact O-CB 3.29Å; L342-A346 WeakPolarHBondContact O-CB 3.38Å; L342-A346 PolarHBondContact O-N 2.88Å; L342-E353 HydrophobicContact CD2-CB 4.02Å; L342-E353 HydrophobicContact CD2-CG 4.4Å; L342-E353 HydrophobicContact CG-CB 4.06Å; L342-E353 HydrophobicContact CG-CG 4.09Å; L342-V356 HydrophobicContact CD1-CB 4.04Å; L342-V356 HydrophobicContact CD1-CG1 3.62Å; L342-V357 HydrophobicContact CD1-CG2 4.15Å; L342-V357 HydrophobicContact CD2-CG2 3.97Å; L342-I424 HydrophobicContact CD1-CB 4.15Å; L342-I424 HydrophobicContact CD1-CG2 4.35Å
343A95.5Very high92.7Very high51 Ų5144.7 Ų44.742%0.42131%0.312SS..Hα-helixtrans-64.8-33.3175.800000112.9D341 A347 E353D341-A343 VanDerWaalsContact C-N 3.3Å; D341-A343 PolarHBondContact O-N 3.01Å; A343-A347 WeakPolarHBondContact O-CB 3.49Å; A343-A347 PolarHBondContact O-N 3.26Å; A343-E353 HydrophobicContact CB-CG 4.39Å
344V94Very high92.8Very high72 Ų7249.8 Ų49.844%0.43633%0.332SS..Hα-helixtrans-70.3-44.2177.2178.10000110.6D341 L342 A347 H348D341-V344 HydrophobicContact CB-CB 4.45Å; D341-V344 WeakPolarHBondContact O-CA 2.8Å; D341-V344 WeakPolarHBondContact O-CB 3.47Å; D341-V344 PolarHBondContact O-N 3.4Å; L342-V344 VanDerWaalsContact C-N 3.31Å; L342-V344 PolarHBondContact O-N 3.45Å; V344-A347 PolarHBondContact O-N 3.47Å; V344-H348 WeakPolarHBondContact O-CB 3.4Å; V344-H348 PolarHBondContact O-N 2.98Å
345V96.3Very high92.9Very high0 Ų052.7 Ų52.70%035%0.346CS..Hα-helixtrans-61.8-47.4174.4173.60000110.1D341 L342 A347 H348 C349 V356 T388 I405 Q422 I424D341-V345 WeakPolarHBondContact O-CG2 3.17Å; D341-V345 PolarHBondContact O-N 2.83Å; L342-V345 PolarHBondContact O-N 3.47Å; V345-A347 PolarHBondContact O-N 2.95Å; V345-H348 PolarHBondContact O-N 2.96Å; V345-C349 WeakPolarHBondContact O-CB 3.36Å; V345-C349 PolarHBondContact O-N 3.18Å; V345-C349 PolarHBondContact O-SG 3.23Å; V345-V356 HydrophobicContact CG1-CG1 3.9Å; V345-V356 HydrophobicContact CG1-CG2 4.34Å; V345-T388 HydrophobicContact CG2-CG2 4.27Å; V345-I405 HydrophobicContact CG1-CD1 4.37Å; V345-Q422 HydrophobicContact CG2-CB 3.58Å; V345-Q422 HydrophobicContact CG2-CG 4.08Å; V345-I424 HydrophobicContact CB-CG2 4.31Å; V345-I424 HydrophobicContact CG2-CG2 3.8Å
346A96.4Very high93.2Very high5 Ų552.4 Ų52.44%0.04134%0.343CS..Hα-helixtrans-55.3-49.5176.800000112.1L342 H348 C349 G350 L351 E353 V356L342-A346 VanDerWaalsContact O-CB 3.29Å; L342-A346 WeakPolarHBondContact O-CB 3.38Å; L342-A346 PolarHBondContact O-N 2.88Å; A346-H348 PolarHBondContact O-N 2.81Å; A346-C349 PolarHBondContact O-N 2.87Å; A346-G350 PolarHBondContact O-N 2.94Å; A346-G350 VanDerWaalsContact O-N 3.14Å; A346-L351 CarbonylContact C-O 3.52Å; A346-L351 VanDerWaalsContact C-O 3.25Å; A346-L351 WeakPolarHBondContact CB-O 3.4Å; A346-L351 PolarHBondContact O-N 3.27Å; A346-E353 HydrophobicContact CB-CG 3.94Å; A346-V356 HydrophobicContact CB-CG2 3.83Å
347A95.3Very high93.6Very high79 Ų7950.6 Ų50.665%0.65332%0.32SS*.Hα-helixtrans-62.1-41.5176.700000112.9A343 V344 V345 C349 G350A343-A347 WeakPolarHBondContact O-CB 3.49Å; A343-A347 PolarHBondContact O-N 3.26Å; V344-A347 PolarHBondContact O-N 3.47Å; V345-A347 PolarHBondContact O-N 2.95Å; A347-C349 VanDerWaalsContact C-N 3.34Å; A347-C349 PolarHBondContact O-N 2.84Å; A347-G350 PolarHBondContact O-N 3.14Å
348H94Very high94.2Very high107 Ų10750.5 Ų50.550%0.49530%0.303SS..Hα-helixtrans-62.8-40.9178.1-176.473.1000112.3V344 V345 A346 G350 T388 P389V344-H348 WeakPolarHBondContact O-CB 3.4Å; V344-H348 PolarHBondContact O-N 2.98Å; V345-H348 PolarHBondContact O-N 2.96Å; A346-H348 PolarHBondContact O-N 2.81Å; H348-G350 VanDerWaalsContact C-N 3.35Å; H348-T388 HydrophobicContact CB-CG2 4.28Å; H348-P389 WeakPolarHBondContact NE2-CD 3.41Å
349C94.4Very high94.7Very high27 Ų2752 Ų5218%0.18231%0.307CS..Hα-helixtrans-83.5-6-177-620000113.9V345 A346 A347 L351 Q385V345-C349 WeakPolarHBondContact O-CB 3.36Å; V345-C349 PolarHBondContact O-N 3.18Å; V345-C349 PolarHBondContact O-SG 3.23Å; A346-C349 PolarHBondContact O-N 2.87Å; A347-C349 VanDerWaalsContact C-N 3.34Å; A347-C349 PolarHBondContact O-N 2.84Å; C349-L351 HydrophobicContact CB-CB 4.33Å; C349-L351 HydrophobicContact CB-CD1 4.01Å; C349-L351 HydrophobicContact CB-CG 4.01Å; C349-L351 PolarHBondContact O-N 2.87Å; C349-Q385 VanDerWaalsContact CB-O 3.24Å; C349-Q385 WeakPolarHBondContact CB-O 3.48Å; C349-Q385 PolarHBondContact SG-O 3Å
350G94.6Very high94.9Very high70 Ų7051.8 Ų51.872%0.72231%0.305SS*.THydrogen-bonded Turntrans66.127.2-172.500000113.4A346 A347 H348A346-G350 PolarHBondContact O-N 2.94Å; A346-G350 VanDerWaalsContact O-N 3.14Å; A347-G350 PolarHBondContact O-N 3.14Å; H348-G350 VanDerWaalsContact C-N 3.35Å
351L95.5Very high95Very high45 Ų4549.5 Ų49.524%0.23629%0.29CS..  trans-115.1158.9-178.2-63.7178.5000110.2A346 C349 Q355 V356 L359 L386A346-L351 CarbonylContact C-O 3.52Å; A346-L351 VanDerWaalsContact C-O 3.25Å; A346-L351 WeakPolarHBondContact CB-O 3.4Å; A346-L351 PolarHBondContact O-N 3.27Å; C349-L351 HydrophobicContact CB-CB 4.33Å; C349-L351 HydrophobicContact CB-CD1 4.01Å; C349-L351 HydrophobicContact CB-CG 4.01Å; C349-L351 PolarHBondContact O-N 2.87Å; L351-Q355 HydrophobicContact CB-CB 4.01Å; L351-Q355 HydrophobicContact CD2-CB 4.27Å; L351-V356 HydrophobicContact CB-CG2 3.98Å; L351-V356 HydrophobicContact CD1-CG2 4.32Å; L351-L359 HydrophobicContact CD1-CD2 4.26Å; L351-L386 HydrophobicContact CD1-CD2 3.94Å
352S94Very high94.8Very high55 Ų5553.1 Ų53.139%0.38532%0.317SS..  trans-74.5156.3163.262.50000110.9K354 Q355 V356S352-K354 PolarHBondContact O-N 2.99Å; S352-K354 VanDerWaalsContact O-N 3.16Å; S352-Q355 WeakPolarHBondContact O-CB 3.42Å; S352-Q355 PolarHBondContact O-N 3.18Å; S352-Q355 VanDerWaalsContact OG-CG 3.31Å; S352-Q355 WeakPolarHBondContact OG-CG 3.25Å; S352-Q355 PolarHBondContact OG-N 2.87Å; S352-Q355 PolarHBondContact OG-OE1 2.92Å; S352-V356 PolarHBondContact O-N 3.15Å
353E95.5Very high94.6Very high98 Ų9854.3 Ų54.346%0.45832%0.324SS..Hα-helixtrans-52.5-39.2174.5-66.8-179.1-116.900111.8L342 A343 A346 V356 V357L342-E353 HydrophobicContact CD2-CB 4.02Å; L342-E353 HydrophobicContact CD2-CG 4.4Å; L342-E353 HydrophobicContact CG-CB 4.06Å; L342-E353 HydrophobicContact CG-CG 4.09Å; A343-E353 HydrophobicContact CB-CG 4.39Å; A346-E353 HydrophobicContact CB-CG 3.94Å; E353-V356 PolarHBondContact O-N 3.24Å; E353-V357 WeakPolarHBondContact O-CG2 3.45Å; E353-V357 PolarHBondContact O-N 2.98Å
354K91.4Very high94.6Very high144 Ų14457.5 Ų57.563%0.62633%0.33SS*.Hα-helixtrans-61.8-45175.8-177.3179167.9-173.60112.3S352 V356 V357 E358S352-K354 PolarHBondContact O-N 2.99Å; S352-K354 VanDerWaalsContact O-N 3.16Å; K354-V356 VanDerWaalsContact C-N 3.33Å; K354-V356 PolarHBondContact O-N 3.35Å; K354-V357 PolarHBondContact O-N 2.77Å; K354-E358 WeakPolarHBondContact CE-OE1 3.44Å; K354-E358 IonicContact NZ-OE1 3.14Å; K354-E358 WeakPolarHBondContact O-CB 3.41Å; K354-E358 WeakPolarHBondContact O-CG 3.44Å; K354-E358 PolarHBondContact O-N 2.89Å
355Q94.4Very high94.6Very high91 Ų9154.1 Ų54.143%0.42531%0.309SS..Hα-helixtrans-65.2-36.3177.2-75.8165.8-57.400111.9L351 S352 E358 L359L351-Q355 HydrophobicContact CB-CB 4.01Å; L351-Q355 HydrophobicContact CD2-CB 4.27Å; S352-Q355 WeakPolarHBondContact O-CB 3.42Å; S352-Q355 PolarHBondContact O-N 3.18Å; S352-Q355 VanDerWaalsContact OG-CG 3.31Å; S352-Q355 WeakPolarHBondContact OG-CG 3.25Å; S352-Q355 PolarHBondContact OG-N 2.87Å; S352-Q355 PolarHBondContact OG-OE1 2.92Å; Q355-E358 PolarHBondContact O-N 3.21Å; Q355-L359 VanDerWaalsContact O-CB 3.25Å; Q355-L359 WeakPolarHBondContact O-CB 3.48Å; Q355-L359 PolarHBondContact O-N 2.89Å
356V96.2Very high94.4Very high0 Ų055.4 Ų55.40%032%0.317CS..Hα-helixtrans-61.1-46.9172.6173.80000110.8L342 V345 A346 L351 S352 E353 K354 L359 H360 L386L342-V356 HydrophobicContact CD1-CB 4.04Å; L342-V356 HydrophobicContact CD1-CG1 3.62Å; V345-V356 HydrophobicContact CG1-CG1 3.9Å; V345-V356 HydrophobicContact CG1-CG2 4.34Å; A346-V356 HydrophobicContact CB-CG2 3.83Å; L351-V356 HydrophobicContact CB-CG2 3.98Å; L351-V356 HydrophobicContact CD1-CG2 4.32Å; S352-V356 PolarHBondContact O-N 3.15Å; E353-V356 PolarHBondContact O-N 3.24Å; K354-V356 VanDerWaalsContact C-N 3.33Å; K354-V356 PolarHBondContact O-N 3.35Å; V356-L359 PolarHBondContact O-N 3.48Å; V356-H360 WeakPolarHBondContact O-CB 3.49Å; V356-H360 PolarHBondContact O-N 3.39Å; V356-L386 HydrophobicContact CB-CD2 4.32Å; V356-L386 HydrophobicContact CG1-CD2 4.03Å; V356-L386 HydrophobicContact CG2-CD2 4.14Å
357V95.2Very high94.3Very high23 Ų2355.1 Ų55.114%0.13932%0.315CS..Hα-helixtrans-62.7-46.6178.1174.80000111.5Y334 L342 E353 K354 H360 S361 P452Y334-V357 HydrophobicContact CD1-CB 4.48Å; Y334-V357 HydrophobicContact CD1-CG1 4.34Å; Y334-V357 HydrophobicContact CD1-CG2 3.76Å; Y334-V357 HydrophobicContact CD2-CG1 3.66Å; Y334-V357 HydrophobicContact CD2-CG2 4.29Å; Y334-V357 HydrophobicContact CE2-CG1 3.96Å; Y334-V357 HydrophobicContact CG-CB 4.32Å; Y334-V357 HydrophobicContact CG-CG1 3.85Å; Y334-V357 HydrophobicContact CG-CG2 3.6Å; L342-V357 HydrophobicContact CD1-CG2 4.15Å; L342-V357 HydrophobicContact CD2-CG2 3.97Å; E353-V357 WeakPolarHBondContact O-CG2 3.45Å; E353-V357 PolarHBondContact O-N 2.98Å; K354-V357 PolarHBondContact O-N 2.77Å; V357-H360 PolarHBondContact O-N 3.05Å; V357-S361 VanDerWaalsContact O-CB 3.3Å; V357-S361 WeakPolarHBondContact O-CB 3.34Å; V357-S361 PolarHBondContact O-N 3.27Å; V357-S361 PolarHBondContact O-OG 3.47Å; V357-P452 HydrophobicContact CG1-CB 4.06Å; V357-P452 HydrophobicContact CG1-CG 3.78Å
358E93Very high94Very high97 Ų9752.4 Ų52.445%0.45329%0.288SS..Hα-helixtrans-59.3-48.8178.1-76172.6168.300111.2K354 Q355 S361 S362K354-E358 WeakPolarHBondContact CE-OE1 3.44Å; K354-E358 IonicContact NZ-OE1 3.14Å; K354-E358 WeakPolarHBondContact O-CB 3.41Å; K354-E358 WeakPolarHBondContact O-CG 3.44Å; K354-E358 PolarHBondContact O-N 2.89Å; Q355-E358 PolarHBondContact O-N 3.21Å; E358-S361 PolarHBondContact O-N 2.81Å; E358-S361 PolarHBondContact O-OG 2.98Å; E358-S362 WeakPolarHBondContact O-CB 3.34Å; E358-S362 PolarHBondContact O-N 2.73Å; E358-S362 PolarHBondContact O-OG 3.49Å
359L94.5Very high93.9Very high45 Ų4548.9 Ų48.924%0.23627%0.271CS..Hα-helixtrans-69.4-38.8-178.8-17259.1000112.4L351 Q355 V356 S362 P383 Q385 L386L351-L359 HydrophobicContact CD1-CD2 4.26Å; Q355-L359 VanDerWaalsContact O-CB 3.25Å; Q355-L359 WeakPolarHBondContact O-CB 3.48Å; Q355-L359 PolarHBondContact O-N 2.89Å; V356-L359 PolarHBondContact O-N 3.48Å; L359-S362 PolarHBondContact O-OG 3.41Å; L359-S362 VanDerWaalsContact O-OG 3.05Å; L359-P383 HydrophobicContact CD1-CB 4Å; L359-P383 HydrophobicContact CD1-CG 3.93Å; L359-P383 HydrophobicContact CD2-CB 4.04Å; L359-P383 HydrophobicContact CG-CB 3.95Å; L359-P383 HydrophobicContact CG-CG 3.95Å; L359-Q385 HydrophobicContact CD2-CB 3.83Å; L359-Q385 HydrophobicContact CD2-CG 4.43Å; L359-L386 HydrophobicContact CB-CD1 4.07Å; L359-L386 HydrophobicContact CB-CG 4.41Å; L359-L386 HydrophobicContact CD2-CD1 4.19Å; L359-L386 HydrophobicContact CD2-CD2 3.98Å; L359-L386 HydrophobicContact CD2-CG 3.7Å; L359-L386 HydrophobicContact CG-CD1 3.93Å; L359-L386 HydrophobicContact CG-CG 4.02Å
360H97.1Very high93.6Very high0 Ų049.7 Ų49.70%027%0.274CS..Hα-helixtrans-68.1-38.2177.1-177.4-98.9000111.5Y334 V356 V357 Y365 L386 T410 I424 F450Y334-H360 AromaticContact CE1-ND1 3.52Å; Y334-H360 AromaticContact CZ-ND1 3.58Å; Y334-H360 PolarHBondContact OH-ND1 2.87Å; V356-H360 WeakPolarHBondContact O-CB 3.49Å; V356-H360 PolarHBondContact O-N 3.39Å; V357-H360 PolarHBondContact O-N 3.05Å; H360-Y365 WeakPolarHBondContact CA-OH 3.41Å; H360-Y365 PolarHBondContact CD2-OH 2.93Å; H360-Y365 WeakPolarHBondContact O-CE2 3.47Å; H360-Y365 PolarHBondContact O-OH 3.21Å; H360-L386 HydrophobicContact CB-CD1 3.81Å; H360-T410 PolarHBondContact NE2-OG1 2.71Å; H360-I424 HydrophobicContact CB-CD1 4.46Å; H360-F450 AromaticContact CE1-CD2 3.15Å; H360-F450 WeakPolarHBondContact CE1-CD2 3.48Å; H360-F450 AromaticContact CE1-CE2 3.4Å; H360-F450 WeakPolarHBondContact CE1-CE2 3.45Å; H360-F450 AromaticContact CE1-CG 3.62Å; H360-F450 AromaticContact ND1-CD2 3.8Å; H360-F450 AromaticContact NE2-CD2 3.8Å; H360-F450 AromaticContact NE2-CE2 3.68Å
361S94.8Very high93Very high19 Ų1947.4 Ų47.413%0.13325%0.25CS..Hα-helixtrans-85.3-17.2-179.358.50000115V357 E358 V363 F450 P452V357-S361 VanDerWaalsContact O-CB 3.3Å; V357-S361 WeakPolarHBondContact O-CB 3.34Å; V357-S361 PolarHBondContact O-N 3.27Å; V357-S361 PolarHBondContact O-OG 3.47Å; E358-S361 PolarHBondContact O-N 2.81Å; E358-S361 PolarHBondContact O-OG 2.98Å; S361-V363 VanDerWaalsContact C-N 3.26Å; S361-V363 PolarHBondContact O-N 2.8Å; S361-F450 WeakPolarHBondContact CB-O 3.5Å; S361-P452 VanDerWaalsContact CB-CD 3.5Å; S361-P452 WeakPolarHBondContact OG-CG 3.33Å
362S92.9Very high92.3Very high82 Ų8251.1 Ų51.157%0.57326%0.264SS*.SBendtrans-74.2-17179.463.10000113.8E358 L359E358-S362 WeakPolarHBondContact O-CB 3.34Å; E358-S362 PolarHBondContact O-N 2.73Å; E358-S362 PolarHBondContact O-OG 3.49Å; L359-S362 PolarHBondContact O-OG 3.41Å; L359-S362 VanDerWaalsContact O-OG 3.05Å
363V92.6Very high91.9Very high30 Ų3050 Ų5018%0.18225%0.253CS..  trans-91.1136.1-174.7-179.70000111S361 Y365 P383S361-V363 VanDerWaalsContact C-N 3.26Å; S361-V363 PolarHBondContact O-N 2.8Å; V363-Y365 HydrophobicContact CB-CD2 4.21Å; V363-Y365 HydrophobicContact CB-CE1 4.12Å; V363-Y365 HydrophobicContact CB-CE2 3.69Å; V363-Y365 HydrophobicContact CG1-CD1 3.97Å; V363-Y365 HydrophobicContact CG1-CD2 4.18Å; V363-Y365 HydrophobicContact CG1-CE1 3.88Å; V363-Y365 HydrophobicContact CG1-CE2 4.07Å; V363-Y365 HydrophobicContact CG1-CG 4.12Å; V363-Y365 WeakPolarHBondContact O-CD2 3.29Å; V363-Y365 WeakPolarHBondContact O-CE2 3.01Å; V363-P383 HydrophobicContact CG2-CG 3.44Å; V363-P383 VanDerWaalsContact CG2-CG 3.44Å
364E94.4Very high91.5Very high119 Ų11948.5 Ų48.556%0.55625%0.252SS*.EExtended strand (participates in β ladder)trans-87.399.9164.1-176.4172.2143.800108.2F327 S447F327-E364 HydrophobicContact CD2-CG 4.37Å; F327-E364 HydrophobicContact CE2-CG 3.99Å; E364-S447 WeakPolarHBondContact CG-OG 3.49Å; E364-S447 WeakPolarHBondContact OE1-CB 3.35Å; E364-S447 PolarHBondContact OE1-OG 3.48Å
365Y94.7Very high91.3Very high0 Ų041.8 Ų41.80%022%0.224CC..EExtended strand (participates in β ladder)trans-82.9148.1-177.7-61-90.6000110.7H360 V363 L379 L382 T410 S447 V448 F450H360-Y365 WeakPolarHBondContact CA-OH 3.41Å; H360-Y365 PolarHBondContact CD2-OH 2.93Å; H360-Y365 WeakPolarHBondContact O-CE2 3.47Å; H360-Y365 PolarHBondContact O-OH 3.21Å; V363-Y365 HydrophobicContact CB-CD2 4.21Å; V363-Y365 HydrophobicContact CB-CE1 4.12Å; V363-Y365 HydrophobicContact CB-CE2 3.69Å; V363-Y365 HydrophobicContact CG1-CD1 3.97Å; V363-Y365 HydrophobicContact CG1-CD2 4.18Å; V363-Y365 HydrophobicContact CG1-CE1 3.88Å; V363-Y365 HydrophobicContact CG1-CE2 4.07Å; V363-Y365 HydrophobicContact CG1-CG 4.12Å; V363-Y365 WeakPolarHBondContact O-CD2 3.29Å; V363-Y365 WeakPolarHBondContact O-CE2 3.01Å; Y365-L379 HydrophobicContact CD1-CB 4.31Å; Y365-L379 HydrophobicContact CG-CB 4.27Å; Y365-L382 HydrophobicContact CE1-CB 4.44Å; Y365-L382 HydrophobicContact CE1-CD1 4.01Å; Y365-T410 HydrophobicContact CD1-CG2 3.67Å; Y365-T410 HydrophobicContact CE1-CG2 3.44Å; Y365-T410 VanDerWaalsContact CE1-CG2 3.44Å; Y365-T410 HydrophobicContact CE2-CG2 4.37Å; Y365-T410 HydrophobicContact CG-CG2 4.22Å; Y365-S447 CarbonylContact O-C 3.55Å; Y365-S447 WeakPolarHBondContact O-CA 3.4Å; Y365-V448 PolarHBondContact N-O 3Å; Y365-V448 PolarHBondContact O-N 3.42Å; Y365-F450 AromaticContact CD2-CD2 3.9Å; Y365-F450 HydrophobicContact CD2-CD2 3.9Å; Y365-F450 AromaticContact CD2-CE2 3.95Å; Y365-F450 HydrophobicContact CD2-CE2 3.95Å; Y365-F450 AromaticContact CE2-CD2 3.66Å; Y365-F450 HydrophobicContact CE2-CD2 3.66Å; Y365-F450 AromaticContact CE2-CE2 3.95Å; Y365-F450 HydrophobicContact CE2-CE2 3.95Å
366V92.7Very high91.3Very high27 Ų2737.5 Ų37.516%0.16420%0.204CC..EExtended strand (participates in β ladder)trans-101.8139.6169.9-175.10000109.1L264 W271 W368 L379 G380 D446L264-V366 HydrophobicContact CD1-CB 4.39Å; L264-V366 HydrophobicContact CD1-CG1 4.02Å; L264-V366 HydrophobicContact CD2-CG2 4.25Å; W271-V366 HydrophobicContact CH2-CG1 3.7Å; W271-V366 HydrophobicContact CZ2-CG1 4.36Å; V366-W368 PolarHBondContact O-N 2.64Å; V366-L379 WeakPolarHBondContact O-CA 3.46Å; V366-G380 PolarHBondContact N-O 3.05Å; V366-G380 PolarHBondContact O-N 3.44Å; V366-D446 WeakPolarHBondContact CA-O 3.49Å
367V93.1Very high91.2Very high0 Ų037.5 Ų37.50%020%0.204CC..EExtended strand (participates in β ladder)trans-73.3103.5169.7-177.70000108.4W271 L370 P377 L379 L442 R443 P444 G445 D446 V448W271-V367 WeakPolarHBondContact CZ2-O 3.43Å; V367-L370 HydrophobicContact CG1-CD2 3.56Å; V367-L370 HydrophobicContact CG1-CG 4.1Å; V367-P377 HydrophobicContact CG1-CB 4.22Å; V367-P377 HydrophobicContact CG2-CB 4.47Å; V367-L379 HydrophobicContact CB-CD2 4.27Å; V367-L379 HydrophobicContact CG2-CD2 3.53Å; V367-L442 HydrophobicContact CG2-CB 4.3Å; V367-L442 HydrophobicContact CG2-CD1 4.36Å; V367-R443 VanDerWaalsContact CB-O 3.32Å; V367-R443 WeakPolarHBondContact CB-O 3.46Å; V367-R443 WeakPolarHBondContact CG1-O 3.36Å; V367-P444 WeakPolarHBondContact O-CA 3.46Å; V367-G445 PolarHBondContact O-N 3.25Å; V367-D446 HydrophobicContact CG2-CB 4.03Å; V367-D446 PolarHBondContact N-O 2.86Å; V367-V448 HydrophobicContact CG2-CG2 3.77Å
368W90.3Very high91.1Very high22 Ų2237.8 Ų37.88%0.08320%0.202CC..EExtended strand (participates in β ladder)trans-71.4-42.3-177.9-76.770.9000112.4V262 T263 L264 Q267 W271 M290 V366 Y378 G380V262-W368 HydrophobicContact CG1-CE3 4.11Å; V262-W368 HydrophobicContact CG1-CH2 3.82Å; V262-W368 HydrophobicContact CG1-CZ3 3.37Å; T263-W368 WeakPolarHBondContact O-CZ3 3.32Å; L264-W368 HydrophobicContact CB-CH2 4.16Å; L264-W368 HydrophobicContact CB-CZ2 4.19Å; L264-W368 HydrophobicContact CD1-CZ2 4.33Å; L264-W368 VanDerWaalsContact N-CH2 3.3Å; Q267-W368 HydrophobicContact CB-CE3 3.49Å; Q267-W368 VanDerWaalsContact CB-CE3 3.49Å; Q267-W368 HydrophobicContact CB-CZ3 3.49Å; Q267-W368 VanDerWaalsContact CB-CZ3 3.49Å; Q267-W368 HydrophobicContact CG-CD2 4.18Å; Q267-W368 HydrophobicContact CG-CE3 3.36Å; Q267-W368 HydrophobicContact CG-CZ3 3.93Å; Q267-W368 PolarHBondContact NE2-O 2.79Å; W271-W368 PolarHBondContact NE1-O 3.18Å; M290-W368 HydrophobicContact CE-CB 3.49Å; M290-W368 VanDerWaalsContact CE-CB 3.49Å; M290-W368 HydrophobicContact CE-CD2 3.79Å; M290-W368 HydrophobicContact CE-CE3 3.94Å; M290-W368 HydrophobicContact CE-CG 3.6Å; M290-W368 HydrophobicContact SD-CB 4.04Å; M290-W368 HydrophobicContact SD-CD2 3.66Å; M290-W368 HydrophobicContact SD-CE3 3.14Å; M290-W368 HydrophobicContact SD-CG 4.04Å; M290-W368 HydrophobicContact SD-CZ3 3.77Å; V366-W368 PolarHBondContact O-N 2.64Å; W368-Y378 PolarHBondContact N-O 3.27Å; W368-G380 VanDerWaalsContact NE1-C 3.29Å; W368-G380 PolarHBondContact NE1-O 3.29Å
369F89.8Confident91.1Very high32 Ų3233.2 Ų33.214%0.1418%0.181CC..EExtended strand (participates in β ladder)trans-162.5168.9172.368.1-76.8000108.9P288 M290 Y378P288-F369 WeakPolarHBondContact O-CB 3.48Å; M290-F369 HydrophobicContact CB-CD1 4.25Å; M290-F369 HydrophobicContact CB-CE1 3.85Å; M290-F369 HydrophobicContact CE-CD1 4.34Å; M290-F369 HydrophobicContact CE-CE1 4.09Å; F369-Y378 HydrophobicContact CD1-CD2 4.4Å; F369-Y378 HydrophobicContact CD1-CG 4.29Å; F369-Y378 AromaticContact CD2-CD2 3.92Å; F369-Y378 HydrophobicContact CD2-CD2 3.92Å; F369-Y378 HydrophobicContact CD2-CE2 4.5Å; F369-Y378 VanDerWaalsContact CE1-CB 3.45Å; F369-Y378 HydrophobicContact CE1-CD1 4.19Å; F369-Y378 AromaticContact CE1-CD2 3.8Å; F369-Y378 HydrophobicContact CE1-CD2 3.8Å; F369-Y378 AromaticContact CE1-CG 3.54Å; F369-Y378 HydrophobicContact CE1-CG 3.54Å; F369-Y378 AromaticContact CE2-CD2 3.26Å; F369-Y378 HydrophobicContact CE2-CD2 3.26Å; F369-Y378 AromaticContact CE2-CE2 3.55Å; F369-Y378 HydrophobicContact CE2-CE2 3.55Å; F369-Y378 AromaticContact CE2-CG 3.92Å; F369-Y378 HydrophobicContact CE2-CG 3.92Å; F369-Y378 HydrophobicContact CG-CD2 4.44Å; F369-Y378 AromaticContact CZ-CD1 3.9Å; F369-Y378 HydrophobicContact CZ-CD1 3.9Å; F369-Y378 AromaticContact CZ-CD2 3.18Å; F369-Y378 HydrophobicContact CZ-CD2 3.18Å; F369-Y378 HydrophobicContact CZ-CE1 4.23Å; F369-Y378 AromaticContact CZ-CE2 3.59Å; F369-Y378 HydrophobicContact CZ-CE2 3.59Å; F369-Y378 AromaticContact CZ-CG 3.33Å; F369-Y378 HydrophobicContact CZ-CG 3.33Å; F369-Y378 PolarHBondContact O-N 2.98Å; F369-Y378 VanDerWaalsContact O-N 3.07Å
370L89.3Confident90.7Very high45 Ų4531.4 Ų31.424%0.23617%0.173CC..EExtended strand (participates in β ladder)trans-115.4138.3173.7-58.8172.8000108.5V367 F376 P377 I440 L442 P444V367-L370 HydrophobicContact CG1-CD2 3.56Å; V367-L370 HydrophobicContact CG1-CG 4.1Å; L370-F376 WeakPolarHBondContact CA-O 3.4Å; L370-P377 HydrophobicContact CD2-CB 3.8Å; L370-I440 HydrophobicContact CD1-CG2 4.06Å; L370-L442 VanDerWaalsContact CD1-O 3.22Å; L370-L442 WeakPolarHBondContact CD1-O 3.15Å; L370-L442 HydrophobicContact CD2-CB 4.38Å; L370-P444 HydrophobicContact CD1-CG 4.44Å; L370-P444 HydrophobicContact CG-CG 4.27Å
371G81.7Confident90.1Very high22 Ų2235.7 Ų35.723%0.22720%0.203CC..  trans171-175.1-177.500000111.8Q373 F376G371-Q373 PolarHBondContact O-N 3.26Å; G371-Q373 VanDerWaalsContact O-N 3.09Å; G371-F376 PolarHBondContact N-O 3.13Å; G371-F376 VanDerWaalsContact N-O 3.09Å; G371-F376 VanDerWaalsContact O-CB 3.27Å; G371-F376 WeakPolarHBondContact O-CB 3.37Å
372F80.7Confident89.9Confident122 Ų12234.9 Ų34.954%0.53520%0.197SC..SBendtrans73.6-48.1-166.5-177.9-104.2000114.1F376 Y378 Y413 T417F372-F376 AromaticContact CD1-CD2 3.97Å; F372-F376 HydrophobicContact CD1-CD2 3.97Å; F372-F376 HydrophobicContact CD1-CE2 4.27Å; F372-F376 HydrophobicContact CD1-CG 4.3Å; F372-Y378 HydrophobicContact CB-CE2 4.21Å; F372-Y413 HydrophobicContact CE1-CE1 4.08Å; F372-T417 HydrophobicContact CE1-CG2 4.01Å
373Q85.9Confident89.9Confident32 Ų3232 Ų3215%0.1518%0.176CC..SBendtrans-143.3161.7168.8-68.3-170-61.300110.2G371 G375 F376 L415 T417G371-Q373 PolarHBondContact O-N 3.26Å; G371-Q373 VanDerWaalsContact O-N 3.09Å; Q373-G375 PolarHBondContact O-N 3.25Å; Q373-F376 HydrophobicContact CB-CB 4.18Å; Q373-F376 PolarHBondContact O-N 3.46Å; Q373-L415 PolarHBondContact OE1-O 3.31Å; Q373-T417 VanDerWaalsContact CD-CG2 3.4Å; Q373-T417 HydrophobicContact CG-CG2 4.47Å; Q373-T417 PolarHBondContact NE2-OG1 3.07Å
374P86.9Confident89.9Confident67 Ų6738.1 Ų38.144%0.43520%0.203SC..THydrogen-bonded Turntrans-50.4114.5171.5-27.636000111.5P414 F432P374-P414 WeakPolarHBondContact O-CG 3.35Å; P374-F432 HydrophobicContact CB-CD1 4.39Å; P374-F432 HydrophobicContact CB-CD2 3.86Å; P374-F432 HydrophobicContact CB-CE1 4.32Å; P374-F432 HydrophobicContact CB-CE2 3.78Å; P374-F432 HydrophobicContact CB-CG 4.16Å; P374-F432 HydrophobicContact CB-CZ 4.01Å
375G88.3Confident89.8Confident3 Ų337.9 Ų37.93%0.03120%0.202CC..THydrogen-bonded Turntrans79.95.817800000117.4Q373 P377 P414 I440Q373-G375 PolarHBondContact O-N 3.25Å; G375-P377 VanDerWaalsContact O-CD 3.27Å; G375-P377 WeakPolarHBondContact O-CD 3.39Å; G375-P414 WeakPolarHBondContact O-CG 3.11Å; G375-I440 VanDerWaalsContact CA-CG2 3.41Å
376F93.1Very high89.9Confident1 Ų137.9 Ų37.90%0.00420%0.202CC..  trans-73.8119.4178.3-178.5-64.6000109.5L370 G371 F372 Q373 Y378 Y413 P414 W421L370-F376 WeakPolarHBondContact CA-O 3.4Å; G371-F376 PolarHBondContact N-O 3.13Å; G371-F376 VanDerWaalsContact N-O 3.09Å; G371-F376 VanDerWaalsContact O-CB 3.27Å; G371-F376 WeakPolarHBondContact O-CB 3.37Å; F372-F376 AromaticContact CD1-CD2 3.97Å; F372-F376 HydrophobicContact CD1-CD2 3.97Å; F372-F376 HydrophobicContact CD1-CE2 4.27Å; F372-F376 HydrophobicContact CD1-CG 4.3Å; Q373-F376 HydrophobicContact CB-CB 4.18Å; Q373-F376 PolarHBondContact O-N 3.46Å; F376-Y378 HydrophobicContact CD1-CD2 4.2Å; F376-Y378 AromaticContact CD1-CE2 3.98Å; F376-Y378 HydrophobicContact CD1-CE2 3.98Å; F376-Y378 HydrophobicContact CE1-CD2 4.45Å; F376-Y378 HydrophobicContact CE1-CE1 4.4Å; F376-Y378 HydrophobicContact CE1-CE2 4.22Å; F376-Y413 HydrophobicContact CD2-CD1 4.21Å; F376-Y413 HydrophobicContact CD2-CG 4.31Å; F376-Y413 AromaticContact CE2-CD1 3.72Å; F376-Y413 HydrophobicContact CE2-CD1 3.72Å; F376-Y413 AromaticContact CE2-CD2 3.86Å; F376-Y413 HydrophobicContact CE2-CD2 3.86Å; F376-Y413 AromaticContact CE2-CE1 3.85Å; F376-Y413 HydrophobicContact CE2-CE1 3.85Å; F376-Y413 AromaticContact CE2-CE2 3.95Å; F376-Y413 HydrophobicContact CE2-CE2 3.95Å; F376-Y413 AromaticContact CE2-CG 3.74Å; F376-Y413 HydrophobicContact CE2-CG 3.74Å; F376-Y413 AromaticContact CE2-CZ 3.95Å; F376-Y413 HydrophobicContact CZ-CE2 4.38Å; F376-P414 VanDerWaalsContact CA-CG 3.48Å; F376-P414 HydrophobicContact CB-CG 3.85Å; F376-P414 VanDerWaalsContact N-CG 3.33Å; F376-W421 HydrophobicContact CE1-CH2 4.05Å; F376-W421 HydrophobicContact CE1-CZ2 4.42Å; F376-W421 HydrophobicContact CE1-CZ3 4.28Å; F376-W421 HydrophobicContact CZ-CD2 4.49Å; F376-W421 HydrophobicContact CZ-CE3 4.19Å; F376-W421 HydrophobicContact CZ-CH2 4.14Å; F376-W421 HydrophobicContact CZ-CZ2 4.41Å; F376-W421 AromaticContact CZ-CZ3 4Å; F376-W421 HydrophobicContact CZ-CZ3 4Å
377P94.6Very high90Very high0 Ų039.8 Ų39.80%021%0.209CC..EExtended strand (participates in β ladder)trans-92.2132.4-17637.4-34.2000112.1V367 L370 G375 L379 G411 V412 L431 L442V367-P377 HydrophobicContact CG1-CB 4.22Å; V367-P377 HydrophobicContact CG2-CB 4.47Å; L370-P377 HydrophobicContact CD2-CB 3.8Å; G375-P377 VanDerWaalsContact O-CD 3.27Å; G375-P377 WeakPolarHBondContact O-CD 3.39Å; P377-L379 HydrophobicContact CB-CD2 4.13Å; P377-L379 HydrophobicContact CB-CG 4.07Å; P377-L379 HydrophobicContact CG-CD1 4.29Å; P377-L379 HydrophobicContact CG-CG 4.26Å; P377-G411 WeakPolarHBondContact O-CA 3.41Å; P377-V412 VanDerWaalsContact CD-O 3.32Å; P377-V412 WeakPolarHBondContact CD-O 3.36Å; P377-L431 HydrophobicContact CG-CD2 4.02Å; P377-L442 HydrophobicContact CB-CD1 3.68Å; P377-L442 HydrophobicContact CG-CD1 3.65Å
378Y92.5Very high90Very high29 Ų2939.9 Ų39.911%0.11421%0.209CC..EExtended strand (participates in β ladder)trans-92.2102.3164.6-74.7-88.4000109W368 F369 F372 F376 W421W368-Y378 PolarHBondContact N-O 3.27Å; F369-Y378 HydrophobicContact CD1-CD2 4.4Å; F369-Y378 HydrophobicContact CD1-CG 4.29Å; F369-Y378 AromaticContact CD2-CD2 3.92Å; F369-Y378 HydrophobicContact CD2-CD2 3.92Å; F369-Y378 HydrophobicContact CD2-CE2 4.5Å; F369-Y378 VanDerWaalsContact CE1-CB 3.45Å; F369-Y378 HydrophobicContact CE1-CD1 4.19Å; F369-Y378 AromaticContact CE1-CD2 3.8Å; F369-Y378 HydrophobicContact CE1-CD2 3.8Å; F369-Y378 AromaticContact CE1-CG 3.54Å; F369-Y378 HydrophobicContact CE1-CG 3.54Å; F369-Y378 AromaticContact CE2-CD2 3.26Å; F369-Y378 HydrophobicContact CE2-CD2 3.26Å; F369-Y378 AromaticContact CE2-CE2 3.55Å; F369-Y378 HydrophobicContact CE2-CE2 3.55Å; F369-Y378 AromaticContact CE2-CG 3.92Å; F369-Y378 HydrophobicContact CE2-CG 3.92Å; F369-Y378 HydrophobicContact CG-CD2 4.44Å; F369-Y378 AromaticContact CZ-CD1 3.9Å; F369-Y378 HydrophobicContact CZ-CD1 3.9Å; F369-Y378 AromaticContact CZ-CD2 3.18Å; F369-Y378 HydrophobicContact CZ-CD2 3.18Å; F369-Y378 HydrophobicContact CZ-CE1 4.23Å; F369-Y378 AromaticContact CZ-CE2 3.59Å; F369-Y378 HydrophobicContact CZ-CE2 3.59Å; F369-Y378 AromaticContact CZ-CG 3.33Å; F369-Y378 HydrophobicContact CZ-CG 3.33Å; F369-Y378 PolarHBondContact O-N 2.98Å; F369-Y378 VanDerWaalsContact O-N 3.07Å; F372-Y378 HydrophobicContact CB-CE2 4.21Å; F376-Y378 HydrophobicContact CD1-CD2 4.2Å; F376-Y378 AromaticContact CD1-CE2 3.98Å; F376-Y378 HydrophobicContact CD1-CE2 3.98Å; F376-Y378 HydrophobicContact CE1-CD2 4.45Å; F376-Y378 HydrophobicContact CE1-CE1 4.4Å; F376-Y378 HydrophobicContact CE1-CE2 4.22Å; Y378-W421 HydrophobicContact CD1-CH2 4.05Å; Y378-W421 HydrophobicContact CD1-CZ2 4.12Å; Y378-W421 HydrophobicContact CE1-CH2 4.09Å; Y378-W421 AromaticContact CE1-CZ2 3.72Å; Y378-W421 HydrophobicContact CE1-CZ2 3.72Å
379L94Very high90Very high1 Ų142.3 Ų42.31%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-97.5136.5-174.1-61167.6000110.4Y365 V366 V367 P377 T410 V448 F450Y365-L379 HydrophobicContact CD1-CB 4.31Å; Y365-L379 HydrophobicContact CG-CB 4.27Å; V366-L379 WeakPolarHBondContact O-CA 3.46Å; V367-L379 HydrophobicContact CB-CD2 4.27Å; V367-L379 HydrophobicContact CG2-CD2 3.53Å; P377-L379 HydrophobicContact CB-CD2 4.13Å; P377-L379 HydrophobicContact CB-CG 4.07Å; P377-L379 HydrophobicContact CG-CD1 4.29Å; P377-L379 HydrophobicContact CG-CG 4.26Å; L379-T410 HydrophobicContact CB-CG2 3.77Å; L379-T410 WeakPolarHBondContact CB-O 3.42Å; L379-T410 HydrophobicContact CD1-CG2 4.28Å; L379-T410 PolarHBondContact N-O 3.42Å; L379-T410 PolarHBondContact O-N 3.05Å; L379-V448 HydrophobicContact CD1-CG1 4.36Å; L379-V448 HydrophobicContact CD2-CB 3.96Å; L379-V448 HydrophobicContact CD2-CG1 4.43Å; L379-V448 HydrophobicContact CD2-CG2 3.93Å; L379-F450 HydrophobicContact CD1-CE1 4.48Å; L379-F450 HydrophobicContact CD1-CE2 3.73Å; L379-F450 HydrophobicContact CD1-CZ 3.41Å; L379-F450 VanDerWaalsContact CD1-CZ 3.41Å
380G85.6Confident90Very high7 Ų747.1 Ų47.17%0.07225%0.245CC..EExtended strand (participates in β ladder)trans-159.9165.4178.400000113.5V366 W368V366-G380 PolarHBondContact N-O 3.05Å; V366-G380 PolarHBondContact O-N 3.44Å; W368-G380 VanDerWaalsContact NE1-C 3.29Å; W368-G380 PolarHBondContact NE1-O 3.29Å
381S83.8Confident90.1Very high89 Ų8949.6 Ų49.662%0.62225%0.252SS*.PPolyproline II helixcis-87.5129.1-151.50000112.2
382L92.2Very high90.1Very high3 Ų353.7 Ų53.72%0.01628%0.283CS..PPolyproline II helixtrans-67.3135.8168.3-176.371.9000109.6Y365 E384 L386 H387 I405 P408 T410Y365-L382 HydrophobicContact CE1-CB 4.44Å; Y365-L382 HydrophobicContact CE1-CD1 4.01Å; L382-E384 PolarHBondContact O-N 3.46Å; L382-L386 HydrophobicContact CD1-CB 3.99Å; L382-L386 HydrophobicContact CD1-CD1 3.96Å; L382-L386 HydrophobicContact CD2-CB 3.97Å; L382-L386 HydrophobicContact CG-CB 3.89Å; L382-H387 PolarHBondContact O-NE2 3.16Å; L382-I405 HydrophobicContact CD1-CD1 4.32Å; L382-I405 HydrophobicContact CD1-CG1 4.48Å; L382-I405 HydrophobicContact CD2-CD1 4.27Å; L382-I405 HydrophobicContact CD2-CG1 4.18Å; L382-I405 HydrophobicContact CD2-CG2 3.61Å; L382-P408 WeakPolarHBondContact CB-O 3.34Å; L382-T410 HydrophobicContact CD1-CG2 4.39Å
383P92.3Very high90.3Very high20 Ų2055.6 Ų55.613%0.1329%0.294CS..PPolyproline II helixtrans-52135.2174.5-28.838000111.1L359 V363 Q385 L386 H387L359-P383 HydrophobicContact CD1-CB 4Å; L359-P383 HydrophobicContact CD1-CG 3.93Å; L359-P383 HydrophobicContact CD2-CB 4.04Å; L359-P383 HydrophobicContact CG-CB 3.95Å; L359-P383 HydrophobicContact CG-CG 3.95Å; V363-P383 HydrophobicContact CG2-CG 3.44Å; V363-P383 VanDerWaalsContact CG2-CG 3.44Å; P383-Q385 VanDerWaalsContact CB-OE1 3.27Å; P383-Q385 PolarHBondContact O-N 3.13Å; P383-Q385 VanDerWaalsContact O-N 3.07Å; P383-L386 PolarHBondContact O-N 3.41Å; P383-H387 PolarHBondContact O-CD2 3.04Å
384E92Very high90.2Very high159 Ų15958 Ų5874%0.74331%0.312SS*.G310 helixtrans-54.1-32.3-176.9-69.2-173.6166.900112.6L382 L386 H387L382-E384 PolarHBondContact O-N 3.46Å; E384-L386 PolarHBondContact O-N 2.81Å; E384-H387 WeakPolarHBondContact CA-NE2 3.44Å; E384-H387 WeakPolarHBondContact O-CB 3.41Å; E384-H387 PolarHBondContact O-N 2.8Å; E384-H387 VanDerWaalsContact O-N 3.14Å
385Q93.2Very high90.4Very high115 Ų11557.3 Ų57.354%0.53730%0.301SS..G310 helixtrans-64.1-22.4178-52.885.4-8.200113.3C349 L359 P383C349-Q385 VanDerWaalsContact CB-O 3.24Å; C349-Q385 WeakPolarHBondContact CB-O 3.48Å; C349-Q385 PolarHBondContact SG-O 3Å; L359-Q385 HydrophobicContact CD2-CB 3.83Å; L359-Q385 HydrophobicContact CD2-CG 4.43Å; P383-Q385 VanDerWaalsContact CB-OE1 3.27Å; P383-Q385 PolarHBondContact O-N 3.13Å; P383-Q385 VanDerWaalsContact O-N 3.07Å
386L95.9Very high90.3Very high0 Ų064.8 Ų64.80%034%0.34CS..G310 helixtrans-97-1.4178.8-63.6-174.7000113.5L351 V356 L359 H360 L382 P383 E384 T388 I405L351-L386 HydrophobicContact CD1-CD2 3.94Å; V356-L386 HydrophobicContact CB-CD2 4.32Å; V356-L386 HydrophobicContact CG1-CD2 4.03Å; V356-L386 HydrophobicContact CG2-CD2 4.14Å; L359-L386 HydrophobicContact CB-CD1 4.07Å; L359-L386 HydrophobicContact CB-CG 4.41Å; L359-L386 HydrophobicContact CD2-CD1 4.19Å; L359-L386 HydrophobicContact CD2-CD2 3.98Å; L359-L386 HydrophobicContact CD2-CG 3.7Å; L359-L386 HydrophobicContact CG-CD1 3.93Å; L359-L386 HydrophobicContact CG-CG 4.02Å; H360-L386 HydrophobicContact CB-CD1 3.81Å; L382-L386 HydrophobicContact CD1-CB 3.99Å; L382-L386 HydrophobicContact CD1-CD1 3.96Å; L382-L386 HydrophobicContact CD2-CB 3.97Å; L382-L386 HydrophobicContact CG-CB 3.89Å; P383-L386 PolarHBondContact O-N 3.41Å; E384-L386 PolarHBondContact O-N 2.81Å; L386-T388 PolarHBondContact O-N 3.18Å; L386-T388 PolarHBondContact O-OG1 3.39Å; L386-I405 HydrophobicContact CB-CD1 4.37Å
387H95.4Very high90.2Very high66 Ų6670.3 Ų70.331%0.30637%0.369SS..  trans-61.5104.1-178.8-73.1-166.5000109.8L382 P383 E384 G407 P408L382-H387 PolarHBondContact O-NE2 3.16Å; P383-H387 PolarHBondContact O-CD2 3.04Å; E384-H387 WeakPolarHBondContact CA-NE2 3.44Å; E384-H387 WeakPolarHBondContact O-CB 3.41Å; E384-H387 PolarHBondContact O-N 2.8Å; E384-H387 VanDerWaalsContact O-N 3.14Å; H387-G407 WeakPolarHBondContact CA-O 3.35Å; H387-P408 WeakPolarHBondContact CE1-CB 3.43Å
388T93.3Very high90.1Very high2 Ų270.3 Ų70.31%0.01237%0.369CS..BIsolated β-bridgetrans-124124.8-176-550000108.7V345 H348 L386 G407 Q422V345-T388 HydrophobicContact CG2-CG2 4.27Å; H348-T388 HydrophobicContact CB-CG2 4.28Å; L386-T388 PolarHBondContact O-N 3.18Å; L386-T388 PolarHBondContact O-OG1 3.39Å; T388-G407 PolarHBondContact N-O 2.92Å; T388-G407 WeakPolarHBondContact O-CA 3.46Å; T388-G407 PolarHBondContact O-N 3.19Å; T388-Q422 HydrophobicContact CG2-CG 3.88Å
389P88.6Confident90Very high74 Ų7472.2 Ų72.248%0.48138%0.384SS..PPolyproline II helixtrans-60.4152-179.425.5-33.5000111.5H348 Q422H348-P389 WeakPolarHBondContact NE2-CD 3.41Å; P389-Q422 PolarHBondContact O-NE2 3.46Å
390R91.8Very high89.9Confident132 Ų13274.2 Ų74.250%0.49840%0.401SS..PPolyproline II helixtrans-57.6153.1170.5-59.8177.1-173179.92.9109.4G420R390-G420 CarbonylContact C-O 3.57Å; R390-G420 WeakPolarHBondContact CA-O 3.35Å; R390-G420 WeakPolarHBondContact CB-O 3.45Å
391R90.4Very high90.2Very high98 Ų9874.1 Ų74.137%0.3740%0.4SS..PPolyproline II helixtrans-56.2139.4170.8-62.4179.463.992.24.3109.7D341 E393 G420D341-R391 IonicContact OD1-NH1 3.85Å; D341-R391 PolarHBondContact OD1-NH1 3.47Å; R391-E393 VanDerWaalsContact C-N 3.26Å; R391-E393 WeakPolarHBondContact CB-O 3.14Å; R391-E393 PolarHBondContact O-N 2.96Å; R391-G420 PolarHBondContact N-O 3.13Å
392A81.8Confident90.8Very high108 Ų10870 Ų7089%0.89337%0.372SS*.SBendtrans-60.3-39.2176.100000111.7
393E84.6Confident91.1Very high161 Ų16169.9 Ų69.975%0.75237%0.371SS*.SBendtrans-111.4120.4172.2-67.1179.7-17700109.8R391R391-E393 VanDerWaalsContact C-N 3.26Å; R391-E393 WeakPolarHBondContact CB-O 3.14Å; R391-E393 PolarHBondContact O-N 2.96Å
394P84.3Confident91.2Very high82 Ų8269 Ų6953%0.53237%0.365SS..  trans-68.8147.5177.928.8-33.6000111.2
395R90Very high91.4Very high53 Ų5361.4 Ų61.420%0.233%0.329CS..EExtended strand (participates in β ladder)trans-65140.3170.2-67.8-178.2173.185.33.6109.1D341 L397 V398 P418 G419 W421D341-R395 IonicContact OD1-CZ 3.67Å; D341-R395 IonicContact OD1-NH1 3.39Å; D341-R395 IonicContact OD1-NH2 3.89Å; D341-R395 PolarHBondContact OD1-NH2 3.17Å; D341-R395 IonicContact OD2-CZ 3.24Å; D341-R395 IonicContact OD2-NH1 3.68Å; D341-R395 PolarHBondContact OD2-NH1 3.32Å; D341-R395 IonicContact OD2-NH2 2.69Å; D341-R395 PolarHBondContact OD2-NH2 3.09Å; R395-L397 PolarHBondContact O-N 2.97Å; R395-V398 HydrophobicContact CB-CG2 4.04Å; R395-P418 CarbonylContact O-C 3.54Å; R395-P418 WeakPolarHBondContact O-CA 3.34Å; R395-P418 WeakPolarHBondContact O-CB 3.12Å; R395-G419 PolarHBondContact N-O 3.46Å; R395-G419 PolarHBondContact O-N 3.09Å; R395-W421 PolarHBondContact NH1-O 2.93Å
396L87Confident91.3Very high161 Ų16156 Ų5684%0.84331%0.305SS*.EExtended strand (participates in β ladder)trans-63.8-28.3171.5-65.1176000112.2P418L396-P418 WeakPolarHBondContact O-CG 3.2Å
397L91.1Very high91Very high117 Ų11756.9 Ų56.961%0.61331%0.314SS*.EExtended strand (participates in β ladder)trans-145.7122.3178.2-168.171.1000110.2R395 A416R395-L397 PolarHBondContact O-N 2.97Å; L397-A416 HydrophobicContact CD1-CB 3.94Å
398V91.8Very high90.7Very high0 Ų057.1 Ų57.10%032%0.321CS..EExtended strand (participates in β ladder)trans-107.5125.4164.4176.70000106.7R395 S402 Y413 A416 T417 L423R395-V398 HydrophobicContact CB-CG2 4.04Å; V398-S402 VanDerWaalsContact CG1-CB 3.5Å; V398-Y413 HydrophobicContact CB-CD1 4.19Å; V398-Y413 HydrophobicContact CB-CE1 4.25Å; V398-Y413 HydrophobicContact CB-CG 4.4Å; V398-Y413 HydrophobicContact CG1-CD1 3.96Å; V398-Y413 HydrophobicContact CG1-CD2 3.69Å; V398-Y413 HydrophobicContact CG1-CE1 4.22Å; V398-Y413 HydrophobicContact CG1-CE2 3.99Å; V398-Y413 HydrophobicContact CG1-CG 3.67Å; V398-Y413 HydrophobicContact CG2-CE1 4.4Å; V398-A416 WeakPolarHBondContact O-CA 3.22Å; V398-T417 WeakPolarHBondContact CB-O 3.34Å; V398-T417 PolarHBondContact N-O 3.26Å; V398-T417 PolarHBondContact O-N 2.98Å; V398-T417 VanDerWaalsContact O-N 3.12Å; V398-L423 HydrophobicContact CG1-CD1 3.9Å; V398-L423 HydrophobicContact CG1-CD2 3.73Å; V398-L423 HydrophobicContact CG1-CG 4.47Å; V398-L423 HydrophobicContact CG2-CD1 4.36Å; V398-L423 HydrophobicContact CG2-CD2 4.43Å
399P90.2Very high90.6Very high68 Ų6858.6 Ų58.644%0.44233%0.328SS..  trans-59.7151177.6-24.634.5000113.3S402P399-S402 WeakPolarHBondContact O-CB 3.34Å; P399-S402 PolarHBondContact O-N 3.49Å; P399-S402 PolarHBondContact O-OG 3.35Å
400A91.9Very high91Very high43 Ų4355 Ų5536%0.35531%0.305SS..THydrogen-bonded Turntrans-60.7141.7167.200000109.9S402 H426A400-S402 VanDerWaalsContact C-N 3.31Å; A400-H426 PolarHBondContact O-NE2 3.47Å
401G93.3Very high91.1Very high6 Ų648.8 Ų48.86%0.06228%0.281CS..THydrogen-bonded Turntrans85.5-7-175.200000114.5V403 Y413 H426 T427G401-V403 PolarHBondContact O-N 2.98Å; G401-Y413 PolarHBondContact N-O 3.42Å; G401-H426 CarbonylContact O-C 3.5Å; G401-H426 WeakPolarHBondContact O-CA 3.3Å; G401-T427 WeakPolarHBondContact CA-O 3.21Å; G401-T427 WeakPolarHBondContact O-CG2 2.89Å; G401-T427 PolarHBondContact O-N 3.14Å
402S96.2Very high91.4Very high3 Ų344.1 Ų44.12%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-64.4129.8176.3-72.20000111.8V398 P399 A400 V412 Y413V398-S402 VanDerWaalsContact CG1-CB 3.5Å; P399-S402 WeakPolarHBondContact O-CB 3.34Å; P399-S402 PolarHBondContact O-N 3.49Å; P399-S402 PolarHBondContact O-OG 3.35Å; A400-S402 VanDerWaalsContact C-N 3.31Å; S402-V412 CarbonylContact O-C 3.56Å; S402-V412 WeakPolarHBondContact O-CA 3.38Å; S402-Y413 WeakPolarHBondContact O-CD2 3.5Å; S402-Y413 PolarHBondContact O-N 2.7Å
403V97.4Very high92.1Very high0 Ų039.1 Ų39.10%022%0.222CC..EExtended strand (participates in β ladder)trans-98.1130.4174.1-174.60000108.3V332 G401 G411 V412 L423 I424 G425 F450V332-V403 HydrophobicContact CB-CG2 4.48Å; V332-V403 HydrophobicContact CG1-CB 4.31Å; V332-V403 HydrophobicContact CG1-CG2 3.83Å; V332-V403 HydrophobicContact CG2-CG2 3.75Å; G401-V403 PolarHBondContact O-N 2.98Å; V403-G411 WeakPolarHBondContact CA-O 3.25Å; V403-V412 HydrophobicContact CG1-CG2 4.45Å; V403-V412 HydrophobicContact CG2-CG1 4.35Å; V403-V412 HydrophobicContact CG2-CG2 4.03Å; V403-L423 WeakPolarHBondContact O-CA 3.35Å; V403-I424 HydrophobicContact CG1-CD1 4.47Å; V403-I424 HydrophobicContact CG1-CG1 4.28Å; V403-I424 PolarHBondContact O-N 2.67Å; V403-G425 PolarHBondContact N-O 2.78Å; V403-G425 PolarHBondContact O-N 3.4Å; V403-F450 HydrophobicContact CG1-CD1 4.27Å; V403-F450 HydrophobicContact CG1-CE1 3.75Å; V403-F450 HydrophobicContact CG1-CZ 3.95Å; V403-F450 HydrophobicContact CG2-CE1 4.25Å
404G96Very high92.4Very high0 Ų031.8 Ų31.80%019%0.188CC..EExtended strand (participates in β ladder)trans-145.9163.5-177.800000115.3T410 G411 W421 Q422G404-T410 WeakPolarHBondContact O-CA 3.21Å; G404-T410 PolarHBondContact O-OG1 2.9Å; G404-T410 VanDerWaalsContact O-OG1 3.12Å; G404-G411 PolarHBondContact N-O 2.95Å; G404-G411 PolarHBondContact O-N 2.9Å; G404-W421 WeakPolarHBondContact O-CZ3 3.41Å; G404-Q422 CarbonylContact C-O 3.59Å; G404-Q422 WeakPolarHBondContact CA-O 3.34Å
405I96.3Very high92.7Very high0 Ų031 Ų310%018%0.179CC..EExtended strand (participates in β ladder)trans-112.5137.4176.8-68.8171.1000109.5V345 L382 L386 Q409 W421 Q422 I424V345-I405 HydrophobicContact CG1-CD1 4.37Å; L382-I405 HydrophobicContact CD1-CD1 4.32Å; L382-I405 HydrophobicContact CD1-CG1 4.48Å; L382-I405 HydrophobicContact CD2-CD1 4.27Å; L382-I405 HydrophobicContact CD2-CG1 4.18Å; L382-I405 HydrophobicContact CD2-CG2 3.61Å; L386-I405 HydrophobicContact CB-CD1 4.37Å; I405-Q409 WeakPolarHBondContact CA-O 3.4Å; I405-W421 WeakPolarHBondContact O-CB 3.48Å; I405-Q422 PolarHBondContact N-O 3.21Å; I405-Q422 PolarHBondContact O-N 2.78Å; I405-I424 HydrophobicContact CD1-CD1 3.76Å; I405-I424 HydrophobicContact CD1-CG2 4.32Å; I405-I424 HydrophobicContact CG1-CD1 3.97Å
406G90.1Very high92.8Very high2 Ų231.2 Ų31.22%0.02119%0.192CC..  trans-146.290.4177.400000112.7Q409G406-Q409 PolarHBondContact N-O 3.14Å
407G89.4Confident93Very high18 Ų1824.7 Ų24.719%0.18616%0.159CC..BIsolated β-bridgetrans74-131.1-172.200000110.6H387 T388 Q409H387-G407 WeakPolarHBondContact CA-O 3.35Å; T388-G407 PolarHBondContact N-O 2.92Å; T388-G407 WeakPolarHBondContact O-CA 3.46Å; T388-G407 PolarHBondContact O-N 3.19Å; G407-Q409 PolarHBondContact O-N 2.88Å
408P90Very high92.8Very high72 Ų7222.6 Ų22.647%0.46815%0.153SC..SBendtrans-83.117.6179.835.7-36.9000114.1L382 H387L382-P408 WeakPolarHBondContact CB-O 3.34Å; H387-P408 WeakPolarHBondContact CE1-CB 3.43Å
409Q91Very high92.6Very high32 Ų3222.8 Ų22.815%0.1515%0.154CC..  trans-130.1150.7-170.7-68.4175.4-15.300111.7I405 G406 G407 W421I405-Q409 WeakPolarHBondContact CA-O 3.4Å; G406-Q409 PolarHBondContact N-O 3.14Å; G407-Q409 PolarHBondContact O-N 2.88Å; Q409-W421 HydrophobicContact CB-CH2 3.99Å; Q409-W421 HydrophobicContact CB-CZ2 4.46Å
410T96.6Very high92.6Very high0 Ų020.2 Ų20.20%014%0.14CC..EExtended strand (participates in β ladder)trans-125.3168.8167.7-170.70000110.1H360 Y365 L379 L382 G404 W421 F450H360-T410 PolarHBondContact NE2-OG1 2.71Å; Y365-T410 HydrophobicContact CD1-CG2 3.67Å; Y365-T410 HydrophobicContact CE1-CG2 3.44Å; Y365-T410 VanDerWaalsContact CE1-CG2 3.44Å; Y365-T410 HydrophobicContact CE2-CG2 4.37Å; Y365-T410 HydrophobicContact CG-CG2 4.22Å; L379-T410 HydrophobicContact CB-CG2 3.77Å; L379-T410 WeakPolarHBondContact CB-O 3.42Å; L379-T410 HydrophobicContact CD1-CG2 4.28Å; L379-T410 PolarHBondContact N-O 3.42Å; L379-T410 PolarHBondContact O-N 3.05Å; L382-T410 HydrophobicContact CD1-CG2 4.39Å; G404-T410 WeakPolarHBondContact O-CA 3.21Å; G404-T410 PolarHBondContact O-OG1 2.9Å; G404-T410 VanDerWaalsContact O-OG1 3.12Å; T410-W421 VanDerWaalsContact C-CZ3 3.42Å; T410-F450 HydrophobicContact CG2-CE2 3.88Å
411G94.8Very high92.7Very high0 Ų018.5 Ų18.50%013%0.125CC..EExtended strand (participates in β ladder)trans173.2169-166.400000112.2P377 V403 G404P377-G411 WeakPolarHBondContact O-CA 3.41Å; V403-G411 WeakPolarHBondContact CA-O 3.25Å; G404-G411 PolarHBondContact N-O 2.95Å; G404-G411 PolarHBondContact O-N 2.9Å
412V96.6Very high92.8Very high0 Ų019 Ų190%013%0.125CC..EExtended strand (participates in β ladder)trans-132.5127.1-174.7-173.90000109I330 P377 S402 V403 P414 T427 L431 F450I330-V412 HydrophobicContact CD1-CG2 4.29Å; P377-V412 VanDerWaalsContact CD-O 3.32Å; P377-V412 WeakPolarHBondContact CD-O 3.36Å; S402-V412 CarbonylContact O-C 3.56Å; S402-V412 WeakPolarHBondContact O-CA 3.38Å; V403-V412 HydrophobicContact CG1-CG2 4.45Å; V403-V412 HydrophobicContact CG2-CG1 4.35Å; V403-V412 HydrophobicContact CG2-CG2 4.03Å; V412-P414 WeakPolarHBondContact O-CD 3.08Å; V412-T427 HydrophobicContact CG1-CG2 3.74Å; V412-L431 HydrophobicContact CB-CD1 4.42Å; V412-L431 HydrophobicContact CB-CD2 3.59Å; V412-L431 HydrophobicContact CG1-CD1 3.85Å; V412-L431 HydrophobicContact CG1-CD2 3.87Å; V412-L431 HydrophobicContact CG2-CD2 4.33Å; V412-F450 HydrophobicContact CG2-CE1 3.55Å; V412-F450 HydrophobicContact CG2-CZ 3.89Å
413Y95.4Very high92.9Very high3 Ų319.1 Ų19.11%0.01213%0.125CC..  trans-72.4111.1177.3-72.4-99000109.7F372 F376 V398 G401 S402 L415 T417 W421 L423F372-Y413 HydrophobicContact CE1-CE1 4.08Å; F376-Y413 HydrophobicContact CD2-CD1 4.21Å; F376-Y413 HydrophobicContact CD2-CG 4.31Å; F376-Y413 AromaticContact CE2-CD1 3.72Å; F376-Y413 HydrophobicContact CE2-CD1 3.72Å; F376-Y413 AromaticContact CE2-CD2 3.86Å; F376-Y413 HydrophobicContact CE2-CD2 3.86Å; F376-Y413 AromaticContact CE2-CE1 3.85Å; F376-Y413 HydrophobicContact CE2-CE1 3.85Å; F376-Y413 AromaticContact CE2-CE2 3.95Å; F376-Y413 HydrophobicContact CE2-CE2 3.95Å; F376-Y413 AromaticContact CE2-CG 3.74Å; F376-Y413 HydrophobicContact CE2-CG 3.74Å; F376-Y413 AromaticContact CE2-CZ 3.95Å; F376-Y413 HydrophobicContact CZ-CE2 4.38Å; V398-Y413 HydrophobicContact CB-CD1 4.19Å; V398-Y413 HydrophobicContact CB-CE1 4.25Å; V398-Y413 HydrophobicContact CB-CG 4.4Å; V398-Y413 HydrophobicContact CG1-CD1 3.96Å; V398-Y413 HydrophobicContact CG1-CD2 3.69Å; V398-Y413 HydrophobicContact CG1-CE1 4.22Å; V398-Y413 HydrophobicContact CG1-CE2 3.99Å; V398-Y413 HydrophobicContact CG1-CG 3.67Å; V398-Y413 HydrophobicContact CG2-CE1 4.4Å; G401-Y413 PolarHBondContact N-O 3.42Å; S402-Y413 WeakPolarHBondContact O-CD2 3.5Å; S402-Y413 PolarHBondContact O-N 2.7Å; Y413-L415 VanDerWaalsContact C-N 3.32Å; Y413-L415 PolarHBondContact O-N 2.87Å; Y413-T417 HydrophobicContact CD1-CG2 3.55Å; Y413-T417 HydrophobicContact CE1-CG2 3.91Å; Y413-W421 HydrophobicContact CE2-CB 4.15Å; Y413-W421 WeakPolarHBondContact OH-CB 3.48Å; Y413-L423 HydrophobicContact CE2-CD2 4.15Å
414P91.7Very high92.9Very high8 Ų819.1 Ų19.15%0.05213%0.125CC..SBendtrans-73.4-27.3-178-15.130.7000112.6P374 G375 F376 V412 L431 F432P374-P414 WeakPolarHBondContact O-CG 3.35Å; G375-P414 WeakPolarHBondContact O-CG 3.11Å; F376-P414 VanDerWaalsContact CA-CG 3.48Å; F376-P414 HydrophobicContact CB-CG 3.85Å; F376-P414 VanDerWaalsContact N-CG 3.33Å; V412-P414 WeakPolarHBondContact O-CD 3.08Å; P414-L431 HydrophobicContact CB-CB 3.87Å; P414-L431 HydrophobicContact CG-CB 4.23Å; P414-F432 HydrophobicContact CB-CB 3.81Å
415L90.8Very high92.8Very high65 Ų6519.1 Ų19.134%0.3413%0.125SC..SBendtrans-133.6158.4-177-67.3172.3000109.4Q373 Y413 T417 F432Q373-L415 PolarHBondContact OE1-O 3.31Å; Y413-L415 VanDerWaalsContact C-N 3.32Å; Y413-L415 PolarHBondContact O-N 2.87Å; L415-T417 PolarHBondContact O-N 2.89Å; L415-F432 HydrophobicContact CD1-CD1 3.88Å; L415-F432 HydrophobicContact CD1-CE1 4.2Å; L415-F432 HydrophobicContact CD2-CD1 4.1Å; L415-F432 HydrophobicContact CG-CD1 4.12Å
416A92.2Very high92.8Very high58 Ų5822.1 Ų22.148%0.47914%0.14SC..  trans-72.3127.6176.400000110.8L397 V398L397-A416 HydrophobicContact CD1-CB 3.94Å; V398-A416 WeakPolarHBondContact O-CA 3.22Å
417T89.9Confident92.9Very high24 Ų2422.1 Ų22.115%0.14714%0.139CC..EExtended strand (participates in β ladder)trans-160.4161.5-174-173.60000111.9F372 Q373 V398 Y413 L415F372-T417 HydrophobicContact CE1-CG2 4.01Å; Q373-T417 VanDerWaalsContact CD-CG2 3.4Å; Q373-T417 HydrophobicContact CG-CG2 4.47Å; Q373-T417 PolarHBondContact NE2-OG1 3.07Å; V398-T417 WeakPolarHBondContact CB-O 3.34Å; V398-T417 PolarHBondContact N-O 3.26Å; V398-T417 PolarHBondContact O-N 2.98Å; V398-T417 VanDerWaalsContact O-N 3.12Å; Y413-T417 HydrophobicContact CD1-CG2 3.55Å; Y413-T417 HydrophobicContact CE1-CG2 3.91Å; L415-T417 PolarHBondContact O-N 2.89Å
418P88.2Confident92.8Very high73 Ų7326.6 Ų26.647%0.47417%0.167SC..EExtended strand (participates in β ladder)trans-57.7142.8164.5-22.231.4000111.9R395 L396R395-P418 CarbonylContact O-C 3.54Å; R395-P418 WeakPolarHBondContact O-CA 3.34Å; R395-P418 WeakPolarHBondContact O-CB 3.12Å; L396-P418 WeakPolarHBondContact O-CG 3.2Å
419G86.2Confident92.8Very high3 Ų325.8 Ų25.83%0.03116%0.159CC..EExtended strand (participates in β ladder)trans-163.4139.8-176.200000113.4R395R395-G419 PolarHBondContact N-O 3.46Å; R395-G419 PolarHBondContact O-N 3.09Å
420G90Very high92.8Very high14 Ų1426.5 Ų26.514%0.14417%0.167CC..  trans-100.93.8-179.100000114.8R390 R391R390-G420 CarbonylContact C-O 3.57Å; R390-G420 WeakPolarHBondContact CA-O 3.35Å; R390-G420 WeakPolarHBondContact CB-O 3.45Å; R391-G420 PolarHBondContact N-O 3.13Å
421W94.4Very high92.6Very high8 Ų826.6 Ų26.63%0.0317%0.168CC..SBendtrans-78.3152-177-69.524.1000111.3F376 Y378 R395 G404 I405 Q409 T410 Y413 L423F376-W421 HydrophobicContact CE1-CH2 4.05Å; F376-W421 HydrophobicContact CE1-CZ2 4.42Å; F376-W421 HydrophobicContact CE1-CZ3 4.28Å; F376-W421 HydrophobicContact CZ-CD2 4.49Å; F376-W421 HydrophobicContact CZ-CE3 4.19Å; F376-W421 HydrophobicContact CZ-CH2 4.14Å; F376-W421 HydrophobicContact CZ-CZ2 4.41Å; F376-W421 AromaticContact CZ-CZ3 4Å; F376-W421 HydrophobicContact CZ-CZ3 4Å; Y378-W421 HydrophobicContact CD1-CH2 4.05Å; Y378-W421 HydrophobicContact CD1-CZ2 4.12Å; Y378-W421 HydrophobicContact CE1-CH2 4.09Å; Y378-W421 AromaticContact CE1-CZ2 3.72Å; Y378-W421 HydrophobicContact CE1-CZ2 3.72Å; R395-W421 PolarHBondContact NH1-O 2.93Å; G404-W421 WeakPolarHBondContact O-CZ3 3.41Å; I405-W421 WeakPolarHBondContact O-CB 3.48Å; Q409-W421 HydrophobicContact CB-CH2 3.99Å; Q409-W421 HydrophobicContact CB-CZ2 4.46Å; T410-W421 VanDerWaalsContact C-CZ3 3.42Å; Y413-W421 HydrophobicContact CE2-CB 4.15Å; Y413-W421 WeakPolarHBondContact OH-CB 3.48Å; W421-L423 PolarHBondContact O-N 3.26Å
422Q96.5Very high92.4Very high16 Ų1628.7 Ų28.78%0.07518%0.177CC..EExtended strand (participates in β ladder)trans-74.9116.1174.8-55.2-674.500108.6D341 V345 T388 P389 G404 I405D341-Q422 HydrophobicContact CB-CB 3.98Å; D341-Q422 WeakPolarHBondContact OD2-CA 3.22Å; V345-Q422 HydrophobicContact CG2-CB 3.58Å; V345-Q422 HydrophobicContact CG2-CG 4.08Å; T388-Q422 HydrophobicContact CG2-CG 3.88Å; P389-Q422 PolarHBondContact O-NE2 3.46Å; G404-Q422 CarbonylContact C-O 3.59Å; G404-Q422 WeakPolarHBondContact CA-O 3.34Å; I405-Q422 PolarHBondContact N-O 3.21Å; I405-Q422 PolarHBondContact O-N 2.78Å
423L97.1Very high92.1Very high5 Ų530.9 Ų30.93%0.02619%0.189CC..EExtended strand (participates in β ladder)trans-84.3115.1-175.7-52.1-175.8000110.1G339 P340 D341 V398 V403 Y413 W421G339-L423 CarbonylContact C-O 3.57Å; G339-L423 VanDerWaalsContact CA-O 3.28Å; G339-L423 WeakPolarHBondContact CA-O 3.36Å; P340-L423 HydrophobicContact CG-CB 4.27Å; P340-L423 HydrophobicContact CG-CD1 4.48Å; D341-L423 WeakPolarHBondContact CA-O 3.32Å; D341-L423 WeakPolarHBondContact CB-O 3.35Å; D341-L423 PolarHBondContact N-O 2.77Å; D341-L423 PolarHBondContact OD2-N 2.76Å; V398-L423 HydrophobicContact CG1-CD1 3.9Å; V398-L423 HydrophobicContact CG1-CD2 3.73Å; V398-L423 HydrophobicContact CG1-CG 4.47Å; V398-L423 HydrophobicContact CG2-CD1 4.36Å; V398-L423 HydrophobicContact CG2-CD2 4.43Å; V403-L423 WeakPolarHBondContact O-CA 3.35Å; Y413-L423 HydrophobicContact CE2-CD2 4.15Å; W421-L423 PolarHBondContact O-N 3.26Å
424I97.4Very high91.6Very high0 Ų035.3 Ų35.30%022%0.218CC..EExtended strand (participates in β ladder)trans-107.6-14.5-174.160.2170.8000113.3Y334 G335 L342 V345 H360 V403 I405Y334-I424 WeakPolarHBondContact CA-O 3.35Å; Y334-I424 HydrophobicContact CD1-CD1 4.47Å; Y334-I424 HydrophobicContact CD1-CG1 4.42Å; Y334-I424 WeakPolarHBondContact CD1-O 3.41Å; Y334-I424 HydrophobicContact CE1-CD1 3.97Å; Y334-I424 HydrophobicContact CE1-CG1 4.28Å; G335-I424 PolarHBondContact N-O 3.33Å; L342-I424 HydrophobicContact CD1-CB 4.15Å; L342-I424 HydrophobicContact CD1-CG2 4.35Å; V345-I424 HydrophobicContact CB-CG2 4.31Å; V345-I424 HydrophobicContact CG2-CG2 3.8Å; H360-I424 HydrophobicContact CB-CD1 4.46Å; V403-I424 HydrophobicContact CG1-CD1 4.47Å; V403-I424 HydrophobicContact CG1-CG1 4.28Å; V403-I424 PolarHBondContact O-N 2.67Å; I405-I424 HydrophobicContact CD1-CD1 3.76Å; I405-I424 HydrophobicContact CD1-CG2 4.32Å; I405-I424 HydrophobicContact CG1-CD1 3.97Å
425G95.2Very high91.4Very high0 Ų039.3 Ų39.30%025%0.251CS..EExtended strand (participates in β ladder)trans-175.3-176.7177.500000112.5V333 G338 V403V333-G425 CarbonylContact O-C 3.44Å; V333-G425 WeakPolarHBondContact O-CA 3.47Å; G338-G425 CarbonylContact O-C 3.19Å; G338-G425 VanDerWaalsContact O-C 3.28Å; G338-G425 VanDerWaalsContact O-O 3.08Å; V403-G425 PolarHBondContact N-O 2.78Å; V403-G425 PolarHBondContact O-N 3.4Å
426H94.8Very high91.2Very high64 Ų6441.5 Ų41.530%0.29626%0.255SS..EExtended strand (participates in β ladder)trans-139.6137.5-178-178.8-81.9000111.1V332 V333 A400 G401V332-H426 WeakPolarHBondContact CA-O 3.25Å; V333-H426 PolarHBondContact N-O 3.04Å; V333-H426 PolarHBondContact O-N 3.48Å; A400-H426 PolarHBondContact O-NE2 3.47Å; G401-H426 CarbonylContact O-C 3.5Å; G401-H426 WeakPolarHBondContact O-CA 3.3Å
427T93.1Very high90.7Very high2 Ų247.1 Ų47.11%0.01228%0.277CS..  trans-107.3141.8170.5-170.70000110.8I330 P331 G401 V412 L429 L431I330-T427 HydrophobicContact CG2-CG2 3.84Å; I330-T427 WeakPolarHBondContact CG2-OG1 3.46Å; P331-T427 WeakPolarHBondContact O-CA 3.31Å; P331-T427 WeakPolarHBondContact O-CB 3.35Å; P331-T427 PolarHBondContact O-OG1 3.36Å; G401-T427 WeakPolarHBondContact CA-O 3.21Å; G401-T427 WeakPolarHBondContact O-CG2 2.89Å; G401-T427 PolarHBondContact O-N 3.14Å; V412-T427 HydrophobicContact CG1-CG2 3.74Å; T427-L429 VanDerWaalsContact C-N 3.27Å; T427-L429 HydrophobicContact CG2-CB 4.36Å; T427-L429 WeakPolarHBondContact OG1-CB 3.11Å; T427-L429 PolarHBondContact OG1-N 3.25Å; T427-L429 VanDerWaalsContact OG1-N 3.15Å; T427-L431 HydrophobicContact CG2-CD1 4.2Å
428S87.8Confident90.5Very high111 Ų11150.8 Ų50.878%0.77629%0.292SS*.  trans-84.2-4.5168.6550000112.9S430S428-S430 PolarHBondContact O-N 3.14Å
429L89.7Confident90.5Very high56 Ų5649.7 Ų49.729%0.29329%0.285SS..SBendtrans-72.7124.1179.3-16866.6000109.8I330 T427 L431 L441I330-L429 HydrophobicContact CG1-CD2 4.27Å; T427-L429 VanDerWaalsContact C-N 3.27Å; T427-L429 HydrophobicContact CG2-CB 4.36Å; T427-L429 WeakPolarHBondContact OG1-CB 3.11Å; T427-L429 PolarHBondContact OG1-N 3.25Å; T427-L429 VanDerWaalsContact OG1-N 3.15Å; L429-L431 WeakPolarHBondContact O-CD1 3.35Å; L429-L431 PolarHBondContact O-N 2.9Å; L429-L441 HydrophobicContact CD2-CD2 3.43Å; L429-L441 VanDerWaalsContact CD2-CD2 3.43Å; L429-L441 HydrophobicContact CG-CD2 3.83Å
430S91.2Very high90.7Very high46 Ų4652.3 Ų52.332%0.32230%0.298SS..  trans-75.2116.1173.8-171.80000110.3S428 F432S428-S430 PolarHBondContact O-N 3.14Å; S430-F432 PolarHBondContact OG-O 3.43Å
431L91.6Very high90.8Very high3 Ų353.6 Ų53.62%0.01630%0.302CS..SBendtrans-83-22.3176.2-87.972.9000113.1P377 V412 P414 T427 L429 L441 L442P377-L431 HydrophobicContact CG-CD2 4.02Å; V412-L431 HydrophobicContact CB-CD1 4.42Å; V412-L431 HydrophobicContact CB-CD2 3.59Å; V412-L431 HydrophobicContact CG1-CD1 3.85Å; V412-L431 HydrophobicContact CG1-CD2 3.87Å; V412-L431 HydrophobicContact CG2-CD2 4.33Å; P414-L431 HydrophobicContact CB-CB 3.87Å; P414-L431 HydrophobicContact CG-CB 4.23Å; T427-L431 HydrophobicContact CG2-CD1 4.2Å; L429-L431 WeakPolarHBondContact O-CD1 3.35Å; L429-L431 PolarHBondContact O-N 2.9Å; L431-L441 HydrophobicContact CG-CD2 4.49Å; L431-L441 PolarHBondContact O-N 2.9Å; L431-L442 HydrophobicContact CD2-CD1 4.04Å
432F90.5Very high90.8Very high43 Ų4353.3 Ų53.319%0.18930%0.301CS..BIsolated β-bridgetrans-136.7121.2177.2176-106.6000110.3P374 P414 L415 S430 P434 P439 I440P374-F432 HydrophobicContact CB-CD1 4.39Å; P374-F432 HydrophobicContact CB-CD2 3.86Å; P374-F432 HydrophobicContact CB-CE1 4.32Å; P374-F432 HydrophobicContact CB-CE2 3.78Å; P374-F432 HydrophobicContact CB-CG 4.16Å; P374-F432 HydrophobicContact CB-CZ 4.01Å; P414-F432 HydrophobicContact CB-CB 3.81Å; L415-F432 HydrophobicContact CD1-CD1 3.88Å; L415-F432 HydrophobicContact CD1-CE1 4.2Å; L415-F432 HydrophobicContact CD2-CD1 4.1Å; L415-F432 HydrophobicContact CG-CD1 4.12Å; S430-F432 PolarHBondContact OG-O 3.43Å; F432-P434 HydrophobicContact CE1-CB 4.37Å; F432-P434 HydrophobicContact CE1-CG 4.23Å; F432-P434 HydrophobicContact CZ-CB 4.02Å; F432-P434 HydrophobicContact CZ-CG 4.38Å; F432-P439 CarbonylContact C-O 3.56Å; F432-P439 VanDerWaalsContact CA-O 3.25Å; F432-P439 WeakPolarHBondContact CA-O 3.22Å; F432-P439 HydrophobicContact CD2-CB 4.2Å; F432-P439 WeakPolarHBondContact CD2-O 3.27Å; F432-P439 HydrophobicContact CE2-CB 3.84Å; F432-I440 HydrophobicContact CD2-CG1 3.94Å; F432-I440 HydrophobicContact CE2-CG1 4.44Å
433D89.5Confident90.5Very high47 Ų4757.8 Ų57.825%0.25132%0.317SS..  trans-140.6100.6178.4-179-2.8000109.1A435 R436 P439D433-A435 PolarHBondContact O-N 2.88Å; D433-A435 WeakPolarHBondContact OD1-CB 3.45Å; D433-A435 PolarHBondContact OD1-N 3.11Å; D433-A435 VanDerWaalsContact OD1-N 3.14Å; D433-R436 HydrophobicContact CB-CG 3.94Å; D433-R436 PolarHBondContact O-N 2.83Å; D433-R436 VanDerWaalsContact O-N 3.1Å; D433-R436 WeakPolarHBondContact OD2-CG 3.49Å; D433-R436 IonicContact OD2-CZ 2.84Å; D433-R436 IonicContact OD2-NE 3.79Å; D433-R436 PolarHBondContact OD2-NE 3.05Å; D433-R436 IonicContact OD2-NH2 3.15Å; D433-P439 PolarHBondContact N-O 2.94Å; D433-P439 VanDerWaalsContact O-CA 3.27Å; D433-P439 WeakPolarHBondContact O-CA 3.28Å
434P85.7Confident90.1Very high96 Ų9659.8 Ų59.862%0.62333%0.33SS*.THydrogen-bonded Turntrans-65.1-8.7-175.528.2-35.1000114F432F432-P434 HydrophobicContact CE1-CB 4.37Å; F432-P434 HydrophobicContact CE1-CG 4.23Å; F432-P434 HydrophobicContact CZ-CB 4.02Å; F432-P434 HydrophobicContact CZ-CG 4.38Å
435A87.7Confident89.7Confident91 Ų9160 Ų6075%0.75233%0.333SS*.THydrogen-bonded Turntrans-86.5-7.6176.400000113.7D433D433-A435 PolarHBondContact O-N 2.88Å; D433-A435 WeakPolarHBondContact OD1-CB 3.45Å; D433-A435 PolarHBondContact OD1-N 3.11Å; D433-A435 VanDerWaalsContact OD1-N 3.14Å
436R86Confident89.5Confident112 Ų11260.1 Ų60.142%0.42333%0.333SS..SBendtrans-89.2150.5177.4-62.7-180-170.8-171.1-3111.4D433 E438 P439D433-R436 HydrophobicContact CB-CG 3.94Å; D433-R436 PolarHBondContact O-N 2.83Å; D433-R436 VanDerWaalsContact O-N 3.1Å; D433-R436 WeakPolarHBondContact OD2-CG 3.49Å; D433-R436 IonicContact OD2-CZ 2.84Å; D433-R436 IonicContact OD2-NE 3.79Å; D433-R436 PolarHBondContact OD2-NE 3.05Å; D433-R436 IonicContact OD2-NH2 3.15Å; R436-E438 PolarHBondContact O-N 3.35Å; R436-P439 WeakPolarHBondContact O-CD 3.3Å; R436-P439 WeakPolarHBondContact O-CG 3.41Å
437D82.2Confident89.4Confident175 Ų17557.3 Ų57.394%0.93632%0.321SS*.SBendtrans-57.9-33.5173.5-66.8-24.7000112.2P439D437-P439 WeakPolarHBondContact O-CD 3.35Å
438E85.3Confident89.6Confident101 Ų10157.2 Ų57.247%0.47232%0.32SS..SBendtrans-11293.9166.5-65.1-175.3-172.800109R326 R436 I440 R443R326-E438 IonicContact NH1-OE2 2.63Å; R436-E438 PolarHBondContact O-N 3.35Å; E438-I440 PolarHBondContact O-N 3.16Å; E438-I440 VanDerWaalsContact O-N 3.17Å; E438-R443 IonicContact OE1-CZ 3.72Å; E438-R443 IonicContact OE1-NH2 3.63Å; E438-R443 PolarHBondContact OE1-NH2 2.99Å; E438-R443 IonicContact OE2-CZ 3.55Å; E438-R443 IonicContact OE2-NE 2.65Å; E438-R443 IonicContact OE2-NH2 2.73Å; E438-R443 PolarHBondContact OE2-NH2 3Å
439P88.6Confident89.9Confident50 Ų5056.8 Ų56.833%0.32530%0.301SS..  trans-62.1-26.6-173.8-29.136.5000114.4F432 D433 R436 D437F432-P439 CarbonylContact C-O 3.56Å; F432-P439 VanDerWaalsContact CA-O 3.25Å; F432-P439 WeakPolarHBondContact CA-O 3.22Å; F432-P439 HydrophobicContact CD2-CB 4.2Å; F432-P439 WeakPolarHBondContact CD2-O 3.27Å; F432-P439 HydrophobicContact CE2-CB 3.84Å; D433-P439 PolarHBondContact N-O 2.94Å; D433-P439 VanDerWaalsContact O-CA 3.27Å; D433-P439 WeakPolarHBondContact O-CA 3.28Å; R436-P439 WeakPolarHBondContact O-CD 3.3Å; R436-P439 WeakPolarHBondContact O-CG 3.41Å; D437-P439 WeakPolarHBondContact O-CD 3.35Å
440I91.3Very high90.2Very high58 Ų5854.1 Ų54.130%0.29729%0.288SS..BIsolated β-bridgetrans-107.1123.8-177.1-58.4171.1000108.7L370 G375 F432 E438 L442L370-I440 HydrophobicContact CD1-CG2 4.06Å; G375-I440 VanDerWaalsContact CA-CG2 3.41Å; F432-I440 HydrophobicContact CD2-CG1 3.94Å; F432-I440 HydrophobicContact CE2-CG1 4.44Å; E438-I440 PolarHBondContact O-N 3.16Å; E438-I440 VanDerWaalsContact O-N 3.17Å; I440-L442 VanDerWaalsContact CG2-O 3.25Å; I440-L442 WeakPolarHBondContact CG2-O 3.48Å
441L92.2Very high90.2Very high42 Ų4253.8 Ų53.822%0.2228%0.283CS..SBendtrans-65.1-44-177.5178.965.1000112.9R326 L429 L431R326-L441 PolarHBondContact NH2-O 2.92Å; L429-L441 HydrophobicContact CD2-CD2 3.43Å; L429-L441 VanDerWaalsContact CD2-CD2 3.43Å; L429-L441 HydrophobicContact CG-CD2 3.83Å; L431-L441 HydrophobicContact CG-CD2 4.49Å; L431-L441 PolarHBondContact O-N 2.9Å
442L93.1Very high90Very high2 Ų256.4 Ų56.41%0.0130%0.301CS..  trans-100.2155.8-173.8-57.1177.7000111.7I328 I330 V367 L370 P377 L431 I440 V448I328-L442 HydrophobicContact CB-CD2 4.03Å; I328-L442 HydrophobicContact CD1-CD2 3.47Å; I328-L442 VanDerWaalsContact CD1-CD2 3.47Å; I328-L442 HydrophobicContact CG1-CD2 4.32Å; I328-L442 HydrophobicContact CG2-CD2 3.84Å; I330-L442 HydrophobicContact CD1-CD1 4.26Å; V367-L442 HydrophobicContact CG2-CB 4.3Å; V367-L442 HydrophobicContact CG2-CD1 4.36Å; L370-L442 VanDerWaalsContact CD1-O 3.22Å; L370-L442 WeakPolarHBondContact CD1-O 3.15Å; L370-L442 HydrophobicContact CD2-CB 4.38Å; P377-L442 HydrophobicContact CB-CD1 3.68Å; P377-L442 HydrophobicContact CG-CD1 3.65Å; L431-L442 HydrophobicContact CD2-CD1 4.04Å; I440-L442 VanDerWaalsContact CG2-O 3.25Å; I440-L442 WeakPolarHBondContact CG2-O 3.48Å; L442-V448 HydrophobicContact CD1-CG2 4.25Å; L442-V448 HydrophobicContact CD2-CG2 3.82Å
443R89.9Confident89.2Confident109 Ų10956.6 Ų56.641%0.41130%0.302SS..  trans-130.3152.3174.9-66.3171.2-170.2-172.71.5110.2V367 E438 G445 D446V367-R443 VanDerWaalsContact CB-O 3.32Å; V367-R443 WeakPolarHBondContact CB-O 3.46Å; V367-R443 WeakPolarHBondContact CG1-O 3.36Å; E438-R443 IonicContact OE1-CZ 3.72Å; E438-R443 IonicContact OE1-NH2 3.63Å; E438-R443 PolarHBondContact OE1-NH2 2.99Å; E438-R443 IonicContact OE2-CZ 3.55Å; E438-R443 IonicContact OE2-NE 2.65Å; E438-R443 IonicContact OE2-NH2 2.73Å; E438-R443 PolarHBondContact OE2-NH2 3Å; R443-G445 PolarHBondContact O-N 3.29Å; R443-D446 PolarHBondContact N-OD2 2.58Å; R443-D446 WeakPolarHBondContact O-CB 3.26Å; R443-D446 PolarHBondContact O-N 2.91Å
444P88.6Confident87.8Confident48 Ų4861.6 Ų61.631%0.31232%0.322SS..THydrogen-bonded Turntrans-53.7131.5168.9-23.134.2000111V367 L370V367-P444 WeakPolarHBondContact O-CA 3.46Å; L370-P444 HydrophobicContact CD1-CG 4.44Å; L370-P444 HydrophobicContact CG-CG 4.27Å
445G89Confident86.2Confident5 Ų562.6 Ų62.65%0.05232%0.318CS..THydrogen-bonded Turntrans90.7-12.2-17500000115.5S325 V367 R443S325-G445 WeakPolarHBondContact CB-O 3.4Å; S325-G445 PolarHBondContact OG-O 3.48Å; V367-G445 PolarHBondContact O-N 3.25Å; R443-G445 PolarHBondContact O-N 3.29Å
446D92.1Very high84.3Confident2 Ų260.3 Ų60.31%0.01130%0.303CS..  trans-61.7143.3169.6-75.1-19000110.1R326 I328 V366 V367 R443R326-D446 VanDerWaalsContact CB-OD1 3.25Å; R326-D446 WeakPolarHBondContact CB-OD1 3.39Å; R326-D446 WeakPolarHBondContact CG-OD1 3.24Å; R326-D446 IonicContact CZ-OD1 2.84Å; R326-D446 IonicContact CZ-OD2 2.72Å; R326-D446 PolarHBondContact N-OD1 3.41Å; R326-D446 IonicContact NE-OD1 3.95Å; R326-D446 PolarHBondContact NE-OD1 2.81Å; R326-D446 IonicContact NE-OD2 2.93Å; R326-D446 PolarHBondContact NE-OD2 2.72Å; R326-D446 IonicContact NH2-OD1 3.42Å; R326-D446 IonicContact NH2-OD2 2.92Å; R326-D446 PolarHBondContact NH2-OD2 3.3Å; R326-D446 CarbonylContact O-C 3.24Å; R326-D446 WeakPolarHBondContact O-CA 3.32Å; I328-D446 HydrophobicContact CD1-CB 4.44Å; I328-D446 WeakPolarHBondContact CD1-OD2 3.46Å; V366-D446 WeakPolarHBondContact CA-O 3.49Å; V367-D446 HydrophobicContact CG2-CB 4.03Å; V367-D446 PolarHBondContact N-O 2.86Å; R443-D446 PolarHBondContact N-OD2 2.58Å; R443-D446 WeakPolarHBondContact O-CB 3.26Å; R443-D446 PolarHBondContact O-N 2.91Å
447S93.3Very high82.7Confident4 Ų455.5 Ų55.53%0.02829%0.286CS..EExtended strand (participates in β ladder)trans-93.3131.8171.3178.50000109.4S325 R326 F327 I328 E364 Y365S325-S447 PolarHBondContact OG-N 2.94Å; R326-S447 PolarHBondContact O-N 3.33Å; F327-S447 CarbonylContact C-O 3.6Å; F327-S447 VanDerWaalsContact CA-O 3.32Å; F327-S447 WeakPolarHBondContact CA-O 3.33Å; F327-S447 WeakPolarHBondContact CD2-OG 3.18Å; I328-S447 PolarHBondContact N-O 3.24Å; E364-S447 WeakPolarHBondContact CG-OG 3.49Å; E364-S447 WeakPolarHBondContact OE1-CB 3.35Å; E364-S447 PolarHBondContact OE1-OG 3.48Å; Y365-S447 CarbonylContact O-C 3.55Å; Y365-S447 WeakPolarHBondContact O-CA 3.4Å
448V95.4Very high81.5Confident0 Ų047.6 Ų47.60%025%0.246CC..EExtended strand (participates in β ladder)trans-129.3129.7-172.7177.50000110I328 I330 Y365 V367 L379 L442I328-V448 VanDerWaalsContact O-CA 3.26Å; I328-V448 WeakPolarHBondContact O-CA 3.34Å; I330-V448 HydrophobicContact CD1-CG1 3.57Å; I330-V448 HydrophobicContact CG1-CG1 3.91Å; Y365-V448 PolarHBondContact N-O 3Å; Y365-V448 PolarHBondContact O-N 3.42Å; V367-V448 HydrophobicContact CG2-CG2 3.77Å; L379-V448 HydrophobicContact CD1-CG1 4.36Å; L379-V448 HydrophobicContact CD2-CB 3.96Å; L379-V448 HydrophobicContact CD2-CG1 4.43Å; L379-V448 HydrophobicContact CD2-CG2 3.93Å; L442-V448 HydrophobicContact CD1-CG2 4.25Å; L442-V448 HydrophobicContact CD2-CG2 3.82Å
449R95.5Very high80.8Confident102 Ų10242.9 Ų42.939%0.38522%0.224SC..EExtended strand (participates in β ladder)trans-120.3128.6170.4-175.116966.2-179.9-2.5110.6F327 I328 E329 I330F327-R449 HydrophobicContact CE2-CB 3.95Å; F327-R449 HydrophobicContact CZ-CB 3.67Å; I328-R449 PolarHBondContact O-N 3.31Å; E329-R449 CarbonylContact C-O 3.48Å; E329-R449 WeakPolarHBondContact CA-O 3.41Å; E329-R449 IonicContact OE1-CZ 3.32Å; E329-R449 IonicContact OE1-NE 2.88Å; E329-R449 PolarHBondContact OE1-NE 3.07Å; E329-R449 IonicContact OE1-NH2 3.71Å; E329-R449 PolarHBondContact OE1-NH2 2.64Å; I330-R449 PolarHBondContact N-O 3.2Å
450F95.3Very high80.6Confident1 Ų140.5 Ų40.50%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-80.8128171.7-63.2-76.4000110.3I330 V332 Y334 H360 S361 Y365 L379 V403 T410 V412I330-F450 HydrophobicContact CB-CD1 3.9Å; I330-F450 HydrophobicContact CB-CE1 4.22Å; I330-F450 HydrophobicContact CD1-CE1 4.2Å; I330-F450 HydrophobicContact CG2-CD1 4.06Å; I330-F450 HydrophobicContact CG2-CE1 4.19Å; I330-F450 CarbonylContact O-C 3.54Å; I330-F450 WeakPolarHBondContact O-CA 3.21Å; V332-F450 HydrophobicContact CG2-CB 4.14Å; V332-F450 HydrophobicContact CG2-CD1 3.49Å; V332-F450 VanDerWaalsContact CG2-CD1 3.49Å; V332-F450 HydrophobicContact CG2-CE1 4.31Å; V332-F450 HydrophobicContact CG2-CG 4.24Å; Y334-F450 WeakPolarHBondContact OH-CB 3.43Å; H360-F450 AromaticContact CE1-CD2 3.15Å; H360-F450 WeakPolarHBondContact CE1-CD2 3.48Å; H360-F450 AromaticContact CE1-CE2 3.4Å; H360-F450 WeakPolarHBondContact CE1-CE2 3.45Å; H360-F450 AromaticContact CE1-CG 3.62Å; H360-F450 AromaticContact ND1-CD2 3.8Å; H360-F450 AromaticContact NE2-CD2 3.8Å; H360-F450 AromaticContact NE2-CE2 3.68Å; S361-F450 WeakPolarHBondContact CB-O 3.5Å; Y365-F450 AromaticContact CD2-CD2 3.9Å; Y365-F450 HydrophobicContact CD2-CD2 3.9Å; Y365-F450 AromaticContact CD2-CE2 3.95Å; Y365-F450 HydrophobicContact CD2-CE2 3.95Å; Y365-F450 AromaticContact CE2-CD2 3.66Å; Y365-F450 HydrophobicContact CE2-CD2 3.66Å; Y365-F450 AromaticContact CE2-CE2 3.95Å; Y365-F450 HydrophobicContact CE2-CE2 3.95Å; L379-F450 HydrophobicContact CD1-CE1 4.48Å; L379-F450 HydrophobicContact CD1-CE2 3.73Å; L379-F450 HydrophobicContact CD1-CZ 3.41Å; L379-F450 VanDerWaalsContact CD1-CZ 3.41Å; V403-F450 HydrophobicContact CG1-CD1 4.27Å; V403-F450 HydrophobicContact CG1-CE1 3.75Å; V403-F450 HydrophobicContact CG1-CZ 3.95Å; V403-F450 HydrophobicContact CG2-CE1 4.25Å; T410-F450 HydrophobicContact CG2-CE2 3.88Å; V412-F450 HydrophobicContact CG2-CE1 3.55Å; V412-F450 HydrophobicContact CG2-CZ 3.89Å
451V91.6Very high80Confident39 Ų3941.7 Ų41.724%0.23621%0.212CC..EExtended strand (participates in β ladder)trans-109.9110.4-178.4-175.80000108.8E329 I330 P331 V332 Q453E329-V451 HydrophobicContact CB-CG2 3.83Å; E329-V451 HydrophobicContact CG-CG2 4.06Å; I330-V451 PolarHBondContact O-N 3.25Å; P331-V451 CarbonylContact C-O 3.52Å; P331-V451 WeakPolarHBondContact CA-O 3.49Å; V332-V451 PolarHBondContact N-O 3.06Å; V451-Q453 PolarHBondContact O-N 3.4Å
452P86.5Confident79Confident58 Ų5841.5 Ų41.538%0.37722%0.221SC..EExtended strand (participates in β ladder)trans-57.1125.4177.3-23.633.1000111.3V332 Y334 V357 S361V332-P452 CarbonylContact O-C 3.45Å; V332-P452 WeakPolarHBondContact O-CA 3.43Å; Y334-P452 HydrophobicContact CD2-CB 3.97Å; Y334-P452 HydrophobicContact CD2-CG 4.25Å; Y334-P452 HydrophobicContact CE2-CB 3.94Å; Y334-P452 HydrophobicContact CE2-CG 3.78Å; V357-P452 HydrophobicContact CG1-CB 4.06Å; V357-P452 HydrophobicContact CG1-CG 3.78Å; S361-P452 VanDerWaalsContact CB-CD 3.5Å; S361-P452 WeakPolarHBondContact OG-CG 3.33Å
453Q75.1Confident78.3Confident46 Ų4644.7 Ų44.722%0.21524%0.235CC..EExtended strand (participates in β ladder)trans-110.9148.5170-65.7-66-3500108.7P331 V332 V333 V451P331-Q453 HydrophobicContact CB-CG 3.57Å; V332-Q453 PolarHBondContact O-N 3.5Å; V333-Q453 HydrophobicContact CG2-CB 4.2Å; V451-Q453 PolarHBondContact O-N 3.4Å
454K59.2Low77.7Confident153 Ų15343.2 Ų43.267%0.66523%0.229SC*.PPolyproline II helixtrans-87.5148.5164.1-69.4-177.8177.2179.10108.3G456K454-G456 PolarHBondContact O-N 2.9Å
455E52Low76.8Confident116 Ų11647.8 Ų47.854%0.54225%0.246SC..SBendtrans-53.7129.6165.4-68.1-175.4154.200108.5V333V333-E455 HydrophobicContact CG1-CG 3.48Å; V333-E455 VanDerWaalsContact CG1-CG 3.48Å; V333-E455 HydrophobicContact CG2-CG 4.34Å
456G47.3Very low76.3Confident43 Ų4351.6 Ų51.644%0.44327%0.272SS..SBendtrans-71.6157.6179.500000111.8K454 N491K454-G456 PolarHBondContact O-N 2.9Å; G456-N491 CarbonylContact C-O 3.59Å
457D53.1Low75.7Confident12 Ų1253.5 Ų53.56%0.06429%0.293CS..  cis-120.499.216.966.2-22000115.4G459 N491 A492 P493 C570D457-G459 VanDerWaalsContact C-N 3.26Å; D457-N491 CarbonylContact C-O 3.55Å; D457-N491 VanDerWaalsContact C-O 3.24Å; D457-N491 WeakPolarHBondContact CA-O 3.45Å; D457-N491 PolarHBondContact N-O 3.42Å; D457-N491 VanDerWaalsContact O-O 3.12Å; D457-A492 WeakPolarHBondContact OD1-CA 3.28Å; D457-P493 VanDerWaalsContact OD1-CA 3.29Å; D457-P493 WeakPolarHBondContact OD1-CA 3.16Å; D457-P493 VanDerWaalsContact OD1-CD 3.24Å; D457-P493 WeakPolarHBondContact OD1-CD 3.44Å; D457-P493 WeakPolarHBondContact OD1-CG 3.4Å; D457-P493 WeakPolarHBondContact OD2-CA 3.3Å; D457-P493 WeakPolarHBondContact OD2-CB 3.45Å; D457-C570 HydrophobicContact CB-CB 4.31Å; D457-C570 WeakPolarHBondContact OD2-CB 3.27Å
458G56.7Low75.1Confident9 Ų954.7 Ų54.79%0.09330%0.298CS..SBendtrans-9410.5154.200000112.1
459G71.6Confident74.5Confident1 Ų155 Ų551%0.0130%0.3CS..SBendtrans127.1177.1-160.600000112.1D457 H461 H470 S569D457-G459 VanDerWaalsContact C-N 3.26Å; G459-H461 PolarHBondContact O-CD2 3.46Å; G459-H470 CarbonylContact C-O 3.58Å; G459-H470 WeakPolarHBondContact CA-O 3.48Å; G459-S569 WeakPolarHBondContact O-CB 3.43Å; G459-S569 PolarHBondContact O-OG 3.07Å
460R84.2Confident74Confident1 Ų151 Ų510%0.00429%0.286CS..  trans-101.991.5179.1-174.6174.4-67.71008109.4F463 I468 H470 V566 M567 S569 S571R460-F463 HydrophobicContact CG-CD2 3.83Å; R460-F463 HydrophobicContact CG-CE2 4.35Å; R460-I468 VanDerWaalsContact CD-CG2 3.47Å; R460-I468 HydrophobicContact CG-CG2 4.21Å; R460-H470 PolarHBondContact N-O 3.3Å; R460-H470 VanDerWaalsContact O-CA 3.3Å; R460-H470 WeakPolarHBondContact O-CA 3.36Å; R460-H470 WeakPolarHBondContact O-CB 3.36Å; R460-V566 PolarHBondContact NE-O 3.03Å; R460-V566 PolarHBondContact NH2-O 3.1Å; R460-M567 HydrophobicContact CG-CB 4.19Å; R460-S569 PolarHBondContact N-OG 3.39Å; R460-S569 PolarHBondContact NH2-O 2.66Å; R460-S571 PolarHBondContact NH1-O 2.86Å; R460-S571 PolarHBondContact NH2-O 3.37Å
461H77.3Confident73.8Confident82 Ų8251 Ų5138%0.3829%0.286SS..  trans-92.4156.7-173-60-83.2000111.9G459 F463G459-H461 PolarHBondContact O-CD2 3.46Å; H461-F463 WeakPolarHBondContact O-CD2 3.24Å; H461-F463 WeakPolarHBondContact O-CE2 3.5Å
462G71.9Confident73.8Confident38 Ų3849.6 Ų49.639%0.39228%0.279SS..SBendtrans82.95.3174.900000116.6Q465G462-Q465 PolarHBondContact O-NE2 2.93Å; G462-Q465 PolarHBondContact O-OE1 2.86Å; G462-Q465 VanDerWaalsContact O-OE1 3.12Å
463F78.7Confident74.2Confident70 Ų7047.1 Ų47.131%0.30726%0.264SS..  trans-121.58.4-178.2-56.1-78.7000114.5R460 H461 Q465 S466 I468 M567R460-F463 HydrophobicContact CG-CD2 3.83Å; R460-F463 HydrophobicContact CG-CE2 4.35Å; H461-F463 WeakPolarHBondContact O-CD2 3.24Å; H461-F463 WeakPolarHBondContact O-CE2 3.5Å; F463-Q465 VanDerWaalsContact C-N 3.28Å; F463-Q465 PolarHBondContact O-N 2.88Å; F463-S466 WeakPolarHBondContact O-CB 3.31Å; F463-S466 PolarHBondContact O-N 2.91Å; F463-I468 HydrophobicContact CB-CB 3.8Å; F463-I468 HydrophobicContact CB-CG1 4.23Å; F463-I468 HydrophobicContact CB-CG2 4.25Å; F463-I468 PolarHBondContact O-N 3.22Å; F463-M567 HydrophobicContact CD1-SD 4.4Å; F463-M567 HydrophobicContact CD2-CB 4.18Å; F463-M567 HydrophobicContact CE1-CB 4.46Å; F463-M567 HydrophobicContact CE2-CB 3.75Å; F463-M567 VanDerWaalsContact CE2-O 3.26Å; F463-M567 WeakPolarHBondContact CE2-O 3.35Å; F463-M567 HydrophobicContact CG-SD 4.46Å; F463-M567 HydrophobicContact CZ-CB 3.91Å
464R76.5Confident75.1Confident77 Ų7745.2 Ų45.229%0.29126%0.256SS..G310 helixtrans-63.5-34.2-178.3-81.6-154.7175.297.5-5.3113.1S466 G467 I468 H470 T693R464-S466 PolarHBondContact O-N 3.02Å; R464-G467 PolarHBondContact O-N 3.17Å; R464-I468 WeakPolarHBondContact CA-O 3.48Å; R464-H470 PolarHBondContact NH2-CD2 3.11Å; R464-H470 VanDerWaalsContact NH2-CG 3.26Å; R464-H470 PolarHBondContact NH2-NE2 3.03Å; R464-T693 HydrophobicContact CB-CG2 4.11Å; R464-T693 HydrophobicContact CG-CG2 4.01Å; R464-T693 WeakPolarHBondContact O-CB 3.31Å; R464-T693 WeakPolarHBondContact O-CG2 3.28Å; R464-T693 PolarHBondContact O-OG1 3.28Å
465Q71.4Confident76.9Confident144 Ų14438 Ų3867%0.67322%0.224SC*.G310 helixtrans-61.4-20.6174.171.3-78.114.200112.7G462 F463G462-Q465 PolarHBondContact O-NE2 2.93Å; G462-Q465 PolarHBondContact O-OE1 2.86Å; G462-Q465 VanDerWaalsContact O-OE1 3.12Å; F463-Q465 VanDerWaalsContact C-N 3.28Å; F463-Q465 PolarHBondContact O-N 2.88Å
466S78.3Confident78.9Confident86 Ų8634.2 Ų34.260%0.60121%0.207SC*.G310 helixtrans-100.512.8176.5-52.60000113.1F463 R464F463-S466 WeakPolarHBondContact O-CB 3.31Å; F463-S466 PolarHBondContact O-N 2.91Å; R464-S466 PolarHBondContact O-N 3.02Å
467G79.4Confident81.2Confident42 Ų4233.8 Ų33.843%0.43320%0.196SC..THydrogen-bonded Turntrans85.33.5178.200000115.4R464 T693R464-G467 PolarHBondContact O-N 3.17Å; G467-T693 WeakPolarHBondContact CA-OG1 3.27Å
468I80.8Confident83.3Confident28 Ų2833.4 Ų33.414%0.14420%0.195CC..  trans-91.7122.8-176.5-57.2-62.9000110.9R460 F463 R464 M567 T693R460-I468 VanDerWaalsContact CD-CG2 3.47Å; R460-I468 HydrophobicContact CG-CG2 4.21Å; F463-I468 HydrophobicContact CB-CB 3.8Å; F463-I468 HydrophobicContact CB-CG1 4.23Å; F463-I468 HydrophobicContact CB-CG2 4.25Å; F463-I468 PolarHBondContact O-N 3.22Å; R464-I468 WeakPolarHBondContact CA-O 3.48Å; I468-M567 HydrophobicContact CD1-CE 4.31Å; I468-M567 HydrophobicContact CG1-CE 4.39Å; I468-M567 HydrophobicContact CG1-SD 4.45Å; I468-M567 HydrophobicContact CG2-CE 4.23Å; I468-T693 WeakPolarHBondContact O-CG2 3.28Å
469S82.9Confident85.2Confident7 Ų733.4 Ų33.45%0.04919%0.192CC..  trans-69.9145.7175.5-57.60000111A691S469-A691 PolarHBondContact OG-O 3.11Å
470H84.6Confident86.4Confident18 Ų1837.5 Ų37.58%0.08321%0.208CC..  trans-76-22.5-178.382.9109000113.5G459 R460 R464 G472 P673 N689G459-H470 CarbonylContact C-O 3.58Å; G459-H470 WeakPolarHBondContact CA-O 3.48Å; R460-H470 PolarHBondContact N-O 3.3Å; R460-H470 VanDerWaalsContact O-CA 3.3Å; R460-H470 WeakPolarHBondContact O-CA 3.36Å; R460-H470 WeakPolarHBondContact O-CB 3.36Å; R464-H470 PolarHBondContact NH2-CD2 3.11Å; R464-H470 VanDerWaalsContact NH2-CG 3.26Å; R464-H470 PolarHBondContact NH2-NE2 3.03Å; H470-G472 PolarHBondContact O-N 3.44Å; H470-P673 WeakPolarHBondContact NE2-CG 3.47Å; H470-N689 PolarHBondContact CD2-O 2.84Å; H470-N689 PolarHBondContact CE1-ND2 2.97Å; H470-N689 VanDerWaalsContact CE1-ND2 3.34Å; H470-N689 WeakPolarHBondContact NE2-CA 3.4Å; H470-N689 WeakPolarHBondContact NE2-CB 3.12Å; H470-N689 VanDerWaalsContact NE2-CG 3.32Å; H470-N689 PolarHBondContact NE2-O 3.43Å
471C91.4Very high87.1Confident0 Ų038.9 Ų38.90%022%0.215CC..  trans53.7-136178.2-51.50000112.6D573 N689 D690C471-D573 VanDerWaalsContact SG-CB 3.54Å; C471-D573 VanDerWaalsContact SG-CG 3.59Å; C471-D573 PolarHBondContact SG-OD2 3.4Å; C471-N689 PolarHBondContact N-O 2.94Å; C471-N689 VanDerWaalsContact N-O 3.14Å; C471-N689 VanDerWaalsContact O-CB 3.26Å; C471-N689 WeakPolarHBondContact O-CB 3.35Å; C471-N689 PolarHBondContact O-ND2 3.34Å; C471-D690 WeakPolarHBondContact CA-OD1 3.28Å
472G90.5Very high88Confident10 Ų1035 Ų3510%0.10320%0.197CC..  trans76.8-176-176.700000112.9H470 S571 R648H470-G472 PolarHBondContact O-N 3.44Å; G472-S571 VanDerWaalsContact CA-OG 3.28Å; G472-S571 WeakPolarHBondContact CA-OG 3.41Å; G472-S571 PolarHBondContact N-OG 3.03Å; G472-R648 PolarHBondContact O-NH1 3.43Å; G472-R648 PolarHBondContact O-NH2 3.45Å
473A94.8Very high89.2Confident7 Ų733.2 Ų33.26%0.05818%0.178CC..  trans-65.7137.1-178.100000112.4M476 L479 E496 Y554 N689A473-M476 HydrophobicContact CB-SD 3.87Å; A473-M476 WeakPolarHBondContact O-CG 3.46Å; A473-L479 HydrophobicContact CB-CB 3.69Å; A473-L479 HydrophobicContact CB-CD2 3.65Å; A473-L479 HydrophobicContact CB-CG 4.16Å; A473-E496 WeakPolarHBondContact CA-OE2 3.36Å; A473-Y554 HydrophobicContact CB-CD1 4.29Å; A473-Y554 HydrophobicContact CB-CE1 3.37Å; A473-N689 PolarHBondContact O-ND2 3.5Å
474L95.2Very high90Very high6 Ų635 Ų353%0.03119%0.19CC..SBendtrans-71.3-33.1171.4-70.7-172.1000112.4E496 Y554 R648 M688 N689 A712L474-E496 PolarHBondContact N-OE2 3.43Å; L474-Y554 PolarHBondContact N-OH 3.49Å; L474-R648 HydrophobicContact CD1-CB 4.39Å; L474-R648 HydrophobicContact CD1-CG 3.91Å; L474-M688 HydrophobicContact CD1-CE 4.24Å; L474-M688 HydrophobicContact CD2-CB 4.22Å; L474-M688 HydrophobicContact CD2-CE 4.09Å; L474-N689 HydrophobicContact CD2-CB 3.62Å; L474-N689 VanDerWaalsContact CD2-CG 3.4Å; L474-N689 WeakPolarHBondContact CD2-OD1 3.42Å; L474-A712 HydrophobicContact CB-CB 3.69Å
475D96.7Very high91Very high2 Ų231.6 Ų31.61%0.01118%0.178CC..SBendtrans-105.476.9171-167.5-24.5000109.1P477 A478 L479 Y554 W612 A712 Q713D475-P477 WeakPolarHBondContact OD1-CD 3.5Å; D475-A478 HydrophobicContact CB-CB 3.95Å; D475-A478 VanDerWaalsContact CG-CB 3.42Å; D475-A478 WeakPolarHBondContact O-CB 3.3Å; D475-A478 PolarHBondContact O-N 3.11Å; D475-A478 VanDerWaalsContact O-N 3.1Å; D475-A478 WeakPolarHBondContact OD1-CB 3.37Å; D475-A478 PolarHBondContact OD1-N 3.23Å; D475-A478 VanDerWaalsContact OD1-N 3.07Å; D475-L479 PolarHBondContact O-N 3Å; D475-L479 VanDerWaalsContact O-N 3.11Å; D475-Y554 HydrophobicContact CB-CE2 3.64Å; D475-Y554 PolarHBondContact N-OH 2.84Å; D475-W612 PolarHBondContact OD2-NE1 3.45Å; D475-A712 HydrophobicContact CB-CB 3.78Å; D475-Q713 PolarHBondContact OD2-NE2 3.06Å
476M94Very high92.2Very high36 Ų3624.8 Ų24.818%0.17715%0.146CC..Hα-helixtrans-54.5-41.7179.5-79-59.8-61.400113.8A473 A478 L479 R480A473-M476 HydrophobicContact CB-SD 3.87Å; A473-M476 WeakPolarHBondContact O-CG 3.46Å; M476-A478 PolarHBondContact O-N 3.42Å; M476-L479 HydrophobicContact CE-CD2 4.26Å; M476-L479 PolarHBondContact O-N 3.28Å; M476-L479 HydrophobicContact SD-CD2 4.06Å; M476-R480 HydrophobicContact CE-CG 4.49Å; M476-R480 WeakPolarHBondContact O-CB 3.18Å; M476-R480 VanDerWaalsContact O-CG 3.32Å; M476-R480 WeakPolarHBondContact O-CG 3.37Å; M476-R480 PolarHBondContact O-N 3.49Å
477P95.9Very high93Very high34 Ų3421.6 Ų21.622%0.22113%0.127CC..Hα-helixtrans-58.3-42.4173.1-2635.5000113.4D475 R480 I481 L610 Y709D475-P477 WeakPolarHBondContact OD1-CD 3.5Å; P477-R480 PolarHBondContact O-N 2.99Å; P477-I481 WeakPolarHBondContact O-CB 3.41Å; P477-I481 WeakPolarHBondContact O-CD1 3.49Å; P477-I481 WeakPolarHBondContact O-CG1 3.39Å; P477-I481 PolarHBondContact O-N 3.13Å; P477-L610 HydrophobicContact CB-CD1 3.73Å; P477-L610 HydrophobicContact CG-CD1 4.08Å; P477-Y709 HydrophobicContact CG-CD1 4.4Å; P477-Y709 HydrophobicContact CG-CD2 4.43Å; P477-Y709 HydrophobicContact CG-CG 3.99Å
478A97.3Very high93.7Very high3 Ų320.6 Ų20.63%0.02511%0.111CC..Hα-helixtrans-62.7-47.9177.100000112D475 M476 R480 I481 A482 T515 Y554D475-A478 HydrophobicContact CB-CB 3.95Å; D475-A478 VanDerWaalsContact CG-CB 3.42Å; D475-A478 WeakPolarHBondContact O-CB 3.3Å; D475-A478 PolarHBondContact O-N 3.11Å; D475-A478 VanDerWaalsContact O-N 3.1Å; D475-A478 WeakPolarHBondContact OD1-CB 3.37Å; D475-A478 PolarHBondContact OD1-N 3.23Å; D475-A478 VanDerWaalsContact OD1-N 3.07Å; M476-A478 PolarHBondContact O-N 3.42Å; A478-R480 PolarHBondContact O-N 3Å; A478-I481 PolarHBondContact O-N 3.46Å; A478-A482 PolarHBondContact O-N 3.37Å; A478-T515 VanDerWaalsContact C-OG1 3.23Å; A478-T515 WeakPolarHBondContact O-CB 3.46Å; A478-T515 PolarHBondContact O-OG1 2.87Å; A478-Y554 HydrophobicContact CB-CD2 3.56Å; A478-Y554 HydrophobicContact CB-CE2 3.84Å; A478-Y554 HydrophobicContact CB-CG 4.42Å
479L96.8Very high94.1Very high9 Ų923.4 Ų23.45%0.04713%0.127CC..Hα-helixtrans-53.4-52.9174.5173.770.1000111.1A473 D475 M476 I481 A482 N483 A494 Y554A473-L479 HydrophobicContact CB-CB 3.69Å; A473-L479 HydrophobicContact CB-CD2 3.65Å; A473-L479 HydrophobicContact CB-CG 4.16Å; D475-L479 PolarHBondContact O-N 3Å; D475-L479 VanDerWaalsContact O-N 3.11Å; M476-L479 HydrophobicContact CE-CD2 4.26Å; M476-L479 PolarHBondContact O-N 3.28Å; M476-L479 HydrophobicContact SD-CD2 4.06Å; L479-I481 VanDerWaalsContact C-N 3.35Å; L479-I481 PolarHBondContact O-N 3.23Å; L479-A482 WeakPolarHBondContact O-CB 3.39Å; L479-A482 PolarHBondContact O-N 3.45Å; L479-A482 VanDerWaalsContact O-N 3.12Å; L479-N483 PolarHBondContact O-N 3.49Å; L479-A494 HydrophobicContact CD1-CB 3.49Å; L479-A494 VanDerWaalsContact CD1-CB 3.49Å; L479-Y554 HydrophobicContact CB-CD1 4.07Å; L479-Y554 HydrophobicContact CB-CE1 4.31Å; L479-Y554 HydrophobicContact CD1-CD1 4.21Å
480R96.6Very high94.4Very high88 Ų8824 Ų2433%0.33213%0.133SC..Hα-helixtrans-60.4-43.7-177.4-73.4180173.7159.86112.4M476 P477 A478 A482 N483 L484 A490 N491M476-R480 HydrophobicContact CE-CG 4.49Å; M476-R480 WeakPolarHBondContact O-CB 3.18Å; M476-R480 VanDerWaalsContact O-CG 3.32Å; M476-R480 WeakPolarHBondContact O-CG 3.37Å; M476-R480 PolarHBondContact O-N 3.49Å; P477-R480 PolarHBondContact O-N 2.99Å; A478-R480 PolarHBondContact O-N 3Å; R480-A482 VanDerWaalsContact C-N 3.32Å; R480-A482 PolarHBondContact O-N 3.1Å; R480-N483 PolarHBondContact O-N 2.79Å; R480-L484 VanDerWaalsContact O-CB 3.32Å; R480-L484 WeakPolarHBondContact O-CB 3.41Å; R480-L484 WeakPolarHBondContact O-CD1 3.45Å; R480-L484 WeakPolarHBondContact O-CG 3.29Å; R480-L484 PolarHBondContact O-N 2.92Å; R480-A490 WeakPolarHBondContact CA-O 3.43Å; R480-A490 HydrophobicContact CB-CB 4.26Å; R480-A490 HydrophobicContact CG-CB 4.02Å; R480-A490 WeakPolarHBondContact CG-O 3.48Å; R480-N491 PolarHBondContact NE-OD1 2.99Å; R480-N491 VanDerWaalsContact NE-OD1 3.15Å; R480-N491 PolarHBondContact NH2-OD1 3.42Å
481I97.5Very high94.6Very high30 Ų3023.9 Ų23.915%0.15413%0.132CC..Hα-helixtrans-62-41.6177.1-69.4166.5000110.6P477 A478 L479 L484 L485 T515 V607P477-I481 WeakPolarHBondContact O-CB 3.41Å; P477-I481 WeakPolarHBondContact O-CD1 3.49Å; P477-I481 WeakPolarHBondContact O-CG1 3.39Å; P477-I481 PolarHBondContact O-N 3.13Å; A478-I481 PolarHBondContact O-N 3.46Å; L479-I481 VanDerWaalsContact C-N 3.35Å; L479-I481 PolarHBondContact O-N 3.23Å; I481-L484 PolarHBondContact O-N 3.01Å; I481-L485 HydrophobicContact CG2-CD1 3.92Å; I481-L485 HydrophobicContact CG2-CG 4.38Å; I481-L485 WeakPolarHBondContact O-CB 3.34Å; I481-L485 VanDerWaalsContact O-CG 3.24Å; I481-L485 WeakPolarHBondContact O-CG 3.33Å; I481-L485 PolarHBondContact O-N 2.97Å; I481-T515 HydrophobicContact CB-CG2 4.08Å; I481-T515 HydrophobicContact CG2-CG2 3.72Å; I481-V607 HydrophobicContact CG2-CG2 3.49Å; I481-V607 VanDerWaalsContact CG2-CG2 3.49Å
482A97.5Very high94.6Very high0 Ų024.5 Ų24.50%014%0.137CC..Hα-helixtrans-62-47.6178.900000111.6A478 L479 R480 L485 V486 A513 T515 A556A478-A482 PolarHBondContact O-N 3.37Å; L479-A482 WeakPolarHBondContact O-CB 3.39Å; L479-A482 PolarHBondContact O-N 3.45Å; L479-A482 VanDerWaalsContact O-N 3.12Å; R480-A482 VanDerWaalsContact C-N 3.32Å; R480-A482 PolarHBondContact O-N 3.1Å; A482-L485 PolarHBondContact O-N 3.08Å; A482-V486 PolarHBondContact O-N 3.46Å; A482-A513 HydrophobicContact CB-CB 4.5Å; A482-T515 HydrophobicContact CB-CG2 3.78Å; A482-A556 HydrophobicContact CB-CB 3.67Å
483N96.7Very high94.8Very high0 Ų025.2 Ų25.20%014%0.14CC..Hα-helixtrans-64.1-44.8178-83-37.1000113L479 R480 L485 V486 G487 N488 D489 A490 A492L479-N483 PolarHBondContact O-N 3.49Å; R480-N483 PolarHBondContact O-N 2.79Å; N483-L485 VanDerWaalsContact C-N 3.29Å; N483-L485 PolarHBondContact O-N 2.97Å; N483-V486 CarbonylContact O-C 3.54Å; N483-V486 VanDerWaalsContact O-CG2 3.3Å; N483-V486 WeakPolarHBondContact O-CG2 3.46Å; N483-V486 PolarHBondContact O-N 3.39Å; N483-G487 PolarHBondContact O-N 2.81Å; N483-G487 VanDerWaalsContact O-N 3.11Å; N483-N488 HydrophobicContact CB-CB 4.03Å; N483-N488 PolarHBondContact O-N 2.85Å; N483-N488 PolarHBondContact OD1-ND2 3.18Å; N483-D489 VanDerWaalsContact CB-O 3.26Å; N483-D489 WeakPolarHBondContact CB-O 3.5Å; N483-A490 PolarHBondContact ND2-O 2.92Å; N483-A490 VanDerWaalsContact ND2-O 3.15Å; N483-A492 PolarHBondContact ND2-N 2.98Å; N483-A492 PolarHBondContact ND2-O 3.47Å
484L96Very high94.9Very high107 Ų10726 Ų2656%0.5615%0.146SC*.Hα-helixtrans-61.2-39.1177.8-74.1169.2000111.8R480 I481 V486 G487 A490R480-L484 VanDerWaalsContact O-CB 3.32Å; R480-L484 WeakPolarHBondContact O-CB 3.41Å; R480-L484 WeakPolarHBondContact O-CD1 3.45Å; R480-L484 WeakPolarHBondContact O-CG 3.29Å; R480-L484 PolarHBondContact O-N 2.92Å; I481-L484 PolarHBondContact O-N 3.01Å; L484-V486 VanDerWaalsContact C-N 3.29Å; L484-V486 PolarHBondContact O-N 3.46Å; L484-G487 PolarHBondContact O-N 3.35Å; L484-A490 HydrophobicContact CD2-CB 4.23Å; L484-A490 HydrophobicContact CG-CB 4.17Å
485L97.2Very high95Very high7 Ų727 Ų274%0.03715%0.152CC..Hα-helixtrans-59.3-39.5177.4-81.3167.5000112.1I481 A482 N483 A513 T515 R533 Q605 V607I481-L485 HydrophobicContact CG2-CD1 3.92Å; I481-L485 HydrophobicContact CG2-CG 4.38Å; I481-L485 WeakPolarHBondContact O-CB 3.34Å; I481-L485 VanDerWaalsContact O-CG 3.24Å; I481-L485 WeakPolarHBondContact O-CG 3.33Å; I481-L485 PolarHBondContact O-N 2.97Å; A482-L485 PolarHBondContact O-N 3.08Å; N483-L485 VanDerWaalsContact C-N 3.29Å; N483-L485 PolarHBondContact O-N 2.97Å; L485-A513 HydrophobicContact CB-CB 3.74Å; L485-A513 HydrophobicContact CD1-CB 3.95Å; L485-T515 HydrophobicContact CD1-CG2 4.37Å; L485-R533 HydrophobicContact CB-CB 4.23Å; L485-R533 HydrophobicContact CD2-CB 4.36Å; L485-R533 WeakPolarHBondContact O-CB 3.43Å; L485-R533 WeakPolarHBondContact O-CD 3.33Å; L485-R533 WeakPolarHBondContact O-CG 3.41Å; L485-R533 PolarHBondContact O-NH1 3.29Å; L485-Q605 WeakPolarHBondContact CD2-O 3.46Å; L485-V607 HydrophobicContact CD1-CG2 4.05Å; L485-V607 HydrophobicContact CD2-CB 4.46Å; L485-V607 HydrophobicContact CD2-CG1 3.92Å; L485-V607 HydrophobicContact CD2-CG2 3.87Å; L485-V607 HydrophobicContact CG-CG2 4.05Å
486V96.5Very high95Very high0 Ų029.5 Ų29.50%016%0.163CC..THydrogen-bonded Turntrans-936.6-179.5-58.60000114.2A482 N483 L484 N488 F512 A513 A556 A558 F601A482-V486 PolarHBondContact O-N 3.46Å; N483-V486 CarbonylContact O-C 3.54Å; N483-V486 VanDerWaalsContact O-CG2 3.3Å; N483-V486 WeakPolarHBondContact O-CG2 3.46Å; N483-V486 PolarHBondContact O-N 3.39Å; L484-V486 VanDerWaalsContact C-N 3.29Å; L484-V486 PolarHBondContact O-N 3.46Å; V486-N488 HydrophobicContact CG2-CB 4.35Å; V486-N488 WeakPolarHBondContact CG2-ND2 3.41Å; V486-F512 VanDerWaalsContact CG1-C 3.41Å; V486-A513 HydrophobicContact CG1-CB 3.71Å; V486-A556 HydrophobicContact CG2-CB 4.01Å; V486-A558 HydrophobicContact CB-CB 4.16Å; V486-F601 WeakPolarHBondContact O-CE2 3.27Å
487G93.8Very high95.2Very high19 Ų1928.4 Ų28.420%0.19616%0.158CC..THydrogen-bonded Turntrans77.816176.700000115.5N483 L484 H599N483-G487 PolarHBondContact O-N 2.81Å; N483-G487 VanDerWaalsContact O-N 3.11Å; L484-G487 PolarHBondContact O-N 3.35Å; G487-H599 PolarHBondContact O-CD2 3.24Å
488N93.9Very high95.1Very high21 Ų2130 Ų3011%0.11217%0.168CC..SBendtrans-79.5168.9173.2-62.2-16.5000110.9N483 V486 A492 V557 G559 G560N483-N488 HydrophobicContact CB-CB 4.03Å; N483-N488 PolarHBondContact O-N 2.85Å; N483-N488 PolarHBondContact OD1-ND2 3.18Å; V486-N488 HydrophobicContact CG2-CB 4.35Å; V486-N488 WeakPolarHBondContact CG2-ND2 3.41Å; N488-A492 HydrophobicContact CB-CB 3.67Å; N488-V557 PolarHBondContact ND2-O 3.42Å; N488-G559 PolarHBondContact OD1-N 3.15Å; N488-G560 PolarHBondContact ND2-N 3.48Å; N488-G560 PolarHBondContact OD1-N 3.14Å
489D89.6Confident94.9Very high88 Ų8832.2 Ų32.247%0.47118%0.179SC..  trans-55.6142.7158.9-178.1-96.4000109.3N483 N491 A492N483-D489 VanDerWaalsContact CB-O 3.26Å; N483-D489 WeakPolarHBondContact CB-O 3.5Å; D489-N491 PolarHBondContact O-N 2.91Å; D489-N491 WeakPolarHBondContact OD1-CA 3.41Å; D489-N491 PolarHBondContact OD1-N 3.46Å; D489-N491 PolarHBondContact OD1-ND2 3.27Å; D489-A492 VanDerWaalsContact O-CB 3.31Å; D489-A492 WeakPolarHBondContact O-CB 3.24Å; D489-A492 PolarHBondContact O-N 3.06Å
490A90.1Very high94.7Very high20 Ų2032.1 Ų32.117%0.16518%0.179CC..THydrogen-bonded Turntrans-56.9-27.9-175.700000112.5R480 N483 L484R480-A490 WeakPolarHBondContact CA-O 3.43Å; R480-A490 HydrophobicContact CB-CB 4.26Å; R480-A490 HydrophobicContact CG-CB 4.02Å; R480-A490 WeakPolarHBondContact CG-O 3.48Å; N483-A490 PolarHBondContact ND2-O 2.92Å; N483-A490 VanDerWaalsContact ND2-O 3.15Å; L484-A490 HydrophobicContact CD2-CB 4.23Å; L484-A490 HydrophobicContact CG-CB 4.17Å
491N88.8Confident94.7Very high15 Ų1534.8 Ų34.88%0.0820%0.196CC..THydrogen-bonded Turntrans-108.336.3177.5-41.5-72.7000111.2G456 D457 R480 D489G456-N491 CarbonylContact C-O 3.59Å; D457-N491 CarbonylContact C-O 3.55Å; D457-N491 VanDerWaalsContact C-O 3.24Å; D457-N491 WeakPolarHBondContact CA-O 3.45Å; D457-N491 PolarHBondContact N-O 3.42Å; D457-N491 VanDerWaalsContact O-O 3.12Å; R480-N491 PolarHBondContact NE-OD1 2.99Å; R480-N491 VanDerWaalsContact NE-OD1 3.15Å; R480-N491 PolarHBondContact NH2-OD1 3.42Å; D489-N491 PolarHBondContact O-N 2.91Å; D489-N491 WeakPolarHBondContact OD1-CA 3.41Å; D489-N491 PolarHBondContact OD1-N 3.46Å; D489-N491 PolarHBondContact OD1-ND2 3.27Å
492A91.1Very high94.6Very high12 Ų1235.1 Ų35.110%0.09920%0.197CC..  trans-78.4157.1172.200000112D457 N483 N488 D489 A494D457-A492 WeakPolarHBondContact OD1-CA 3.28Å; N483-A492 PolarHBondContact ND2-N 2.98Å; N483-A492 PolarHBondContact ND2-O 3.47Å; N488-A492 HydrophobicContact CB-CB 3.67Å; D489-A492 VanDerWaalsContact O-CB 3.31Å; D489-A492 WeakPolarHBondContact O-CB 3.24Å; D489-A492 PolarHBondContact O-N 3.06Å; A492-A494 PolarHBondContact O-N 2.94Å
493P94.5Very high94.6Very high25 Ų2539.4 Ų39.416%0.16222%0.224CC..  trans-65.6127.3-176.2-21.932.2000111.5D457 I561 C570D457-P493 VanDerWaalsContact OD1-CA 3.29Å; D457-P493 WeakPolarHBondContact OD1-CA 3.16Å; D457-P493 VanDerWaalsContact OD1-CD 3.24Å; D457-P493 WeakPolarHBondContact OD1-CD 3.44Å; D457-P493 WeakPolarHBondContact OD1-CG 3.4Å; D457-P493 WeakPolarHBondContact OD2-CA 3.3Å; D457-P493 WeakPolarHBondContact OD2-CB 3.45Å; P493-I561 HydrophobicContact CB-CB 4.16Å; P493-I561 WeakPolarHBondContact CB-O 3.44Å; P493-I561 PolarHBondContact O-N 3.1Å; P493-I561 VanDerWaalsContact O-N 3.14Å; P493-C570 HydrophobicContact CB-CB 4.06Å; P493-C570 HydrophobicContact CG-CB 3.69Å
494A96.5Very high94.7Very high23 Ų2340.9 Ų40.919%0.1923%0.233CC..  trans-140.7162.1178.100000110.6L479 A492 L555 A556L479-A494 HydrophobicContact CD1-CB 3.49Å; L479-A494 VanDerWaalsContact CD1-CB 3.49Å; A492-A494 PolarHBondContact O-N 2.94Å; A494-L555 WeakPolarHBondContact CB-O 3.44Å; A494-A556 HydrophobicContact CB-CB 4.06Å
495L97.5Very high94.8Very high29 Ų2940.6 Ų40.615%0.15223%0.229CC..EExtended strand (participates in β ladder)trans-81.2127.8-179.6-60.3-174.2000111.4I497 Y554 L555 I561 L586 L592L495-I497 HydrophobicContact CB-CG1 4.37Å; L495-Y554 CarbonylContact O-C 3.47Å; L495-Y554 WeakPolarHBondContact O-CA 3.42Å; L495-L555 HydrophobicContact CB-CB 4.3Å; L495-L555 HydrophobicContact CD1-CD2 4.4Å; L495-L555 PolarHBondContact N-O 3.04Å; L495-L555 PolarHBondContact O-N 2.84Å; L495-I561 HydrophobicContact CD2-CD1 3.48Å; L495-I561 VanDerWaalsContact CD2-CD1 3.48Å; L495-I561 HydrophobicContact CG-CD1 3.59Å; L495-L586 HydrophobicContact CD1-CD1 4.19Å; L495-L586 HydrophobicContact CD2-CD1 3.76Å; L495-L592 HydrophobicContact CD1-CD1 4.15Å; L495-L592 HydrophobicContact CD2-CD1 3.73Å; L495-L592 HydrophobicContact CG-CD1 4.43Å
496E97.5Very high94.8Very high53 Ų5340.9 Ų40.925%0.24823%0.23CC..EExtended strand (participates in β ladder)trans-93.7129.2163.1-176-179.4113.200109.9A473 L474 R552 Y554 R648A473-E496 WeakPolarHBondContact CA-OE2 3.36Å; L474-E496 PolarHBondContact N-OE2 3.43Å; E496-R552 IonicContact OE1-NE 3.4Å; E496-R552 PolarHBondContact OE1-NE 3.33Å; E496-Y554 HydrophobicContact CB-CD1 4.04Å; E496-Y554 HydrophobicContact CB-CE1 3.6Å; E496-Y554 VanDerWaalsContact CD-OH 3.29Å; E496-Y554 HydrophobicContact CG-CD1 4.27Å; E496-Y554 HydrophobicContact CG-CE1 3.53Å; E496-Y554 WeakPolarHBondContact OE2-CE1 3.44Å; E496-Y554 PolarHBondContact OE2-OH 2.91Å; E496-R648 IonicContact OE1-CZ 3.54Å; E496-R648 IonicContact OE1-NH1 2.76Å; E496-R648 PolarHBondContact OE1-NH1 3.2Å; E496-R648 IonicContact OE2-NH1 3.28Å; E496-R648 PolarHBondContact OE2-NH1 3.18Å
497I97.2Very high94.8Very high14 Ų1446.2 Ų46.27%0.07225%0.254CS..EExtended strand (participates in β ladder)trans-124.5115.1-171.4-52.2159.7000108.5L495 G500 L502 L544 R552 S553 L555L495-I497 HydrophobicContact CB-CG1 4.37Å; I497-G500 WeakPolarHBondContact CG2-O 3.34Å; I497-L502 HydrophobicContact CD1-CD2 3.37Å; I497-L502 HydrophobicContact CG1-CD2 3.87Å; I497-L502 HydrophobicContact CG2-CB 4.11Å; I497-L544 HydrophobicContact CD1-CD2 3.89Å; I497-R552 CarbonylContact O-C 3.57Å; I497-R552 VanDerWaalsContact O-CA 3.28Å; I497-R552 WeakPolarHBondContact O-CA 3.49Å; I497-S553 PolarHBondContact N-O 2.87Å; I497-S553 PolarHBondContact O-N 3.05Å; I497-L555 HydrophobicContact CD1-CB 4.04Å
498T94.5Very high94.9Very high68 Ų6848.7 Ų48.742%0.41727%0.266SS..EExtended strand (participates in β ladder)trans-94.2124.3178.1-59.50000110.5G500 M551T498-G500 VanDerWaalsContact C-N 3.3Å; T498-G500 PolarHBondContact O-N 2.78Å; T498-M551 HydrophobicContact CG2-CE 4.18Å
499L93.7Very high94.9Very high49 Ų4952.1 Ų52.126%0.25728%0.284SS..SBendtrans61.728.4-179-67.7170.9000115.3Q501 P547 M551L499-Q501 PolarHBondContact O-N 3.02Å; L499-Q501 PolarHBondContact O-NE2 3.37Å; L499-P547 HydrophobicContact CD2-CG 4.47Å; L499-M551 HydrophobicContact CD1-CE 4.2Å; L499-M551 HydrophobicContact CD2-CE 4.1Å; L499-M551 HydrophobicContact CD2-SD 3.55Å; L499-M551 VanDerWaalsContact CD2-SD 3.55Å; L499-M551 HydrophobicContact CG-CE 3.95Å; L499-M551 HydrophobicContact CG-SD 4.09Å; L499-M551 PolarHBondContact N-O 3.36Å
500G93Very high95.2Very high6 Ų649.1 Ų49.16%0.06227%0.274CS..  trans60.5-130.3176.400000111.8I497 T498 L502 K545I497-G500 WeakPolarHBondContact CG2-O 3.34Å; T498-G500 VanDerWaalsContact C-N 3.3Å; T498-G500 PolarHBondContact O-N 2.78Å; G500-L502 VanDerWaalsContact C-N 3.29Å; G500-L502 PolarHBondContact O-N 3.46Å; G500-K545 WeakPolarHBondContact CA-O 3.37Å
501Q95Very high95.6Very high144 Ų14450 Ų5067%0.67327%0.273SS*.  trans5642.7176.3-63.2171.295.100113L499 L544 R546L499-Q501 PolarHBondContact O-N 3.02Å; L499-Q501 PolarHBondContact O-NE2 3.37Å; Q501-L544 WeakPolarHBondContact CA-O 3.41Å; Q501-L544 PolarHBondContact N-O 3.04Å; Q501-R546 HydrophobicContact CG-CB 4.43Å
502L96.6Very high96Very high37 Ų3749.2 Ų49.219%0.19427%0.269CS..EExtended strand (participates in β ladder)trans-115.7135.1178.4179.271.4000109.3I497 G500 V504 T543 L544 L555I497-L502 HydrophobicContact CD1-CD2 3.37Å; I497-L502 HydrophobicContact CG1-CD2 3.87Å; I497-L502 HydrophobicContact CG2-CB 4.11Å; G500-L502 VanDerWaalsContact C-N 3.29Å; G500-L502 PolarHBondContact O-N 3.46Å; L502-V504 HydrophobicContact CD1-CG1 4.01Å; L502-V504 HydrophobicContact CD2-CG1 3.89Å; L502-V504 HydrophobicContact CG-CG1 3.91Å; L502-T543 CarbonylContact O-C 3.57Å; L502-T543 WeakPolarHBondContact O-CA 3.34Å; L502-L544 HydrophobicContact CB-CB 4.43Å; L502-L544 PolarHBondContact N-O 2.82Å; L502-L544 PolarHBondContact O-N 3.19Å; L502-L555 HydrophobicContact CD2-CD2 4.45Å
503T97.9Very high96.4Very high90 Ų9048.7 Ų48.755%0.55227%0.265SS*.EExtended strand (participates in β ladder)trans-122.6124.6165.7-570000108.6L542T503-L542 WeakPolarHBondContact CA-O 3.47Å
504V97.5Very high96.6Very high32 Ų3247.5 Ų47.519%0.19426%0.257CS..EExtended strand (participates in β ladder)trans-124.5143173.6-63.20000110.1L502 F506 R541 L542 L555L502-V504 HydrophobicContact CD1-CG1 4.01Å; L502-V504 HydrophobicContact CD2-CG1 3.89Å; L502-V504 HydrophobicContact CG-CG1 3.91Å; V504-F506 HydrophobicContact CG2-CE1 4.33Å; V504-F506 HydrophobicContact CG2-CZ 4.25Å; V504-R541 CarbonylContact O-C 3.52Å; V504-R541 WeakPolarHBondContact O-CA 3.45Å; V504-L542 HydrophobicContact CG2-CB 3.81Å; V504-L542 HydrophobicContact CG2-CD2 4.25Å; V504-L542 HydrophobicContact CG2-CG 4.45Å; V504-L542 PolarHBondContact N-O 2.74Å; V504-L542 PolarHBondContact O-N 3.15Å; V504-L555 HydrophobicContact CG2-CD2 4.02Å
505E98.2Very high96.6Very high101 Ų10146.4 Ų46.447%0.47225%0.248SC..EExtended strand (participates in β ladder)trans-106.8128.8172.2-171.3173.2119.400108.4Q540 R541E505-Q540 WeakPolarHBondContact CA-O 3.38Å; E505-R541 HydrophobicContact CB-CG 4.19Å; E505-R541 HydrophobicContact CG-CG 4.1Å; E505-R541 IonicContact OE2-CZ 3.26Å; E505-R541 VanDerWaalsContact OE2-CZ 3.26Å; E505-R541 IonicContact OE2-NE 2.81Å; E505-R541 PolarHBondContact OE2-NE 2.81Å; E505-R541 IonicContact OE2-NH2 2.82Å; E505-R541 PolarHBondContact OE2-NH2 2.76Å
506F97.9Very high96.6Very high12 Ų1245 Ų455%0.05324%0.241CC..  trans-85.3127.2178.6-62-65.2000110.3V504 F512 L523 M536 A538 G539 Q540 L542 V557V504-F506 HydrophobicContact CG2-CE1 4.33Å; V504-F506 HydrophobicContact CG2-CZ 4.25Å; F506-F512 HydrophobicContact CE2-CD1 4.48Å; F506-F512 HydrophobicContact CZ-CB 4.38Å; F506-F512 HydrophobicContact CZ-CD1 4.29Å; F506-F512 HydrophobicContact CZ-CD2 4.43Å; F506-F512 HydrophobicContact CZ-CG 4.11Å; F506-L523 HydrophobicContact CD2-CD1 4.22Å; F506-L523 HydrophobicContact CE2-CD1 3.82Å; F506-M536 HydrophobicContact CB-SD 4.37Å; F506-M536 HydrophobicContact CD1-CE 4.26Å; F506-M536 HydrophobicContact CD1-CG 4.38Å; F506-M536 HydrophobicContact CD1-SD 3.26Å; F506-M536 WeakPolarHBondContact CD1-SD 3.38Å; F506-M536 HydrophobicContact CD2-CB 3.67Å; F506-M536 HydrophobicContact CD2-CG 4.36Å; F506-M536 HydrophobicContact CD2-SD 4.15Å; F506-M536 HydrophobicContact CE1-SD 3.36Å; F506-M536 WeakPolarHBondContact CE1-SD 3.39Å; F506-M536 HydrophobicContact CE2-CB 3.84Å; F506-M536 HydrophobicContact CE2-SD 4.21Å; F506-M536 HydrophobicContact CG-CB 4.02Å; F506-M536 HydrophobicContact CG-CG 4.21Å; F506-M536 HydrophobicContact CG-SD 3.68Å; F506-M536 HydrophobicContact CZ-CB 4.35Å; F506-M536 HydrophobicContact CZ-SD 3.84Å; F506-A538 CarbonylContact O-C 3.25Å; F506-A538 WeakPolarHBondContact O-CA 3.44Å; F506-G539 PolarHBondContact O-N 2.98Å; F506-Q540 PolarHBondContact N-O 2.81Å; F506-L542 HydrophobicContact CE2-CB 3.81Å; F506-L542 HydrophobicContact CZ-CB 4.05Å; F506-L542 HydrophobicContact CZ-CD2 4.03Å; F506-V557 HydrophobicContact CE1-CG1 4.22Å
507E97Very high96.5Very high112 Ų11242.5 Ų42.552%0.52323%0.229SC..SBendtrans-93.3-11.8178.8-61.2-174.3161.500113.2R591E507-R591 IonicContact OE1-CZ 3.05Å; E507-R591 IonicContact OE1-NE 2.82Å; E507-R591 PolarHBondContact OE1-NE 2.95Å; E507-R591 IonicContact OE1-NH2 3.63Å; E507-R591 PolarHBondContact OE1-NH2 3.47Å; E507-R591 IonicContact OE2-CZ 3.45Å; E507-R591 IonicContact OE2-NE 3.47Å; E507-R591 PolarHBondContact OE2-NE 3.13Å; E507-R591 IonicContact OE2-NH2 2.87Å; E507-R591 PolarHBondContact OE2-NH2 3.21Å
508T94.8Very high96.4Very high72 Ų7243.7 Ų43.744%0.44225%0.245SC..SBendtrans-134.9146.5-177.256.20000111
509D95.3Very high96.3Very high93 Ų9340.7 Ų40.750%0.49723%0.227SC..  trans-64.9146.4169.5-80.118.4000111.2M536 K537 A538D509-M536 WeakPolarHBondContact CA-O 3.43Å; D509-K537 WeakPolarHBondContact OD1-CA 3.33Å; D509-K537 VanDerWaalsContact OD2-CD 3.27Å; D509-K537 WeakPolarHBondContact OD2-CD 3.11Å; D509-K537 IonicContact OD2-NZ 3.5Å; D509-K537 PolarHBondContact OD2-NZ 2.99Å; D509-A538 PolarHBondContact OD1-N 2.9Å
510G95.5Very high96.3Very high25 Ų2543 Ų4326%0.25824%0.236SC..EExtended strand (participates in β ladder)trans169.1-147.5175.100000113.5M536G510-M536 PolarHBondContact N-O 3.45Å; G510-M536 PolarHBondContact O-N 3.45Å
511W97.8Very high96.5Very high37 Ų3743 Ų4314%0.1424%0.235CC..EExtended strand (participates in β ladder)trans-129.4144.1179.1-62.687.7000110.5R533 L534 P535 A558 F601 E603 A604W511-R533 HydrophobicContact CB-CG 4.22Å; W511-R533 HydrophobicContact CD2-CG 4.12Å; W511-R533 HydrophobicContact CE3-CG 3.53Å; W511-R533 HydrophobicContact CG-CG 4.43Å; W511-R533 HydrophobicContact CZ3-CG 4.19Å; W511-L534 CarbonylContact C-O 3.59Å; W511-L534 WeakPolarHBondContact CA-O 3.38Å; W511-L534 VanDerWaalsContact CE3-C 3.44Å; W511-P535 HydrophobicContact CE3-CB 4.14Å; W511-P535 HydrophobicContact CH2-CB 4.32Å; W511-P535 HydrophobicContact CZ3-CB 4.01Å; W511-P535 HydrophobicContact CZ3-CG 4.34Å; W511-A558 HydrophobicContact CB-CB 4.11Å; W511-A558 PolarHBondContact O-N 3.17Å; W511-F601 HydrophobicContact CD2-CB 4.24Å; W511-F601 HydrophobicContact CG-CD2 4.49Å; W511-F601 HydrophobicContact CZ2-CB 3.98Å; W511-F601 WeakPolarHBondContact CZ2-O 3.48Å; W511-F601 PolarHBondContact NE1-O 3.47Å; W511-E603 VanDerWaalsContact CH2-C 3.48Å; W511-A604 HydrophobicContact CZ3-CB 4.43Å
512F97.9Very high96.6Very high0 Ų041.4 Ų41.40%022%0.223CC..EExtended strand (participates in β ladder)trans-132.8164.9173.578.5-76.7000110.9V486 F506 L514 L523 L534 M536 L542 L555 A556 V557V486-F512 VanDerWaalsContact CG1-C 3.41Å; F506-F512 HydrophobicContact CE2-CD1 4.48Å; F506-F512 HydrophobicContact CZ-CB 4.38Å; F506-F512 HydrophobicContact CZ-CD1 4.29Å; F506-F512 HydrophobicContact CZ-CD2 4.43Å; F506-F512 HydrophobicContact CZ-CG 4.11Å; F512-L514 HydrophobicContact CD2-CG 4.41Å; F512-L514 HydrophobicContact CE2-CD1 4.2Å; F512-L514 HydrophobicContact CE2-CG 4.17Å; F512-L523 HydrophobicContact CE1-CD2 4.09Å; F512-L523 HydrophobicContact CZ-CD2 4.41Å; F512-L534 HydrophobicContact CD1-CB 4.01Å; F512-L534 VanDerWaalsContact CD1-O 3.31Å; F512-L534 WeakPolarHBondContact CD1-O 3.41Å; F512-L534 HydrophobicContact CE1-CB 3.53Å; F512-L534 HydrophobicContact CE1-CD1 4.41Å; F512-L534 HydrophobicContact CE2-CB 4.42Å; F512-L534 HydrophobicContact CE2-CD1 4.1Å; F512-L534 HydrophobicContact CZ-CB 3.77Å; F512-L534 HydrophobicContact CZ-CD1 3.78Å; F512-L534 HydrophobicContact CZ-CG 4.45Å; F512-L534 PolarHBondContact N-O 3.31Å; F512-L534 PolarHBondContact O-N 2.93Å; F512-M536 HydrophobicContact CB-SD 4.04Å; F512-M536 HydrophobicContact CD1-CB 3.85Å; F512-M536 HydrophobicContact CD1-CG 4.43Å; F512-M536 HydrophobicContact CD1-SD 4.43Å; F512-M536 HydrophobicContact CE1-CB 4.3Å; F512-L542 HydrophobicContact CD2-CD2 4Å; F512-L542 HydrophobicContact CE2-CD1 4.03Å; F512-L542 HydrophobicContact CE2-CD2 3.7Å; F512-L542 HydrophobicContact CZ-CD1 4.19Å; F512-L542 HydrophobicContact CZ-CD2 4.45Å; F512-L555 HydrophobicContact CB-CD1 4.16Å; F512-L555 HydrophobicContact CD2-CD1 3.62Å; F512-L555 HydrophobicContact CG-CD1 4.33Å; F512-A556 CarbonylContact C-O 3.54Å; F512-A556 WeakPolarHBondContact CA-O 3.45Å; F512-A556 WeakPolarHBondContact CB-O 3.43Å; F512-V557 HydrophobicContact CB-CG1 4.13Å
513A98.3Very high96.7Very high0 Ų040.2 Ų40.20%022%0.217CC..EExtended strand (participates in β ladder)trans-141.7143.3171.700000110.8A482 L485 V486 W532 L555 A556A482-A513 HydrophobicContact CB-CB 4.5Å; L485-A513 HydrophobicContact CB-CB 3.74Å; L485-A513 HydrophobicContact CD1-CB 3.95Å; V486-A513 HydrophobicContact CG1-CB 3.71Å; A513-W532 WeakPolarHBondContact CA-O 3.3Å; A513-W532 WeakPolarHBondContact CB-O 3.16Å; A513-L555 WeakPolarHBondContact O-CA 3.43Å; A513-A556 PolarHBondContact N-O 2.86Å; A513-A556 PolarHBondContact O-N 3.27Å
514L98.3Very high96.6Very high1 Ų139.3 Ų39.31%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-111.2137.1171.6-75171000110.3F512 A521 V528 T530 G531 L542 L544 Y554 L555F512-L514 HydrophobicContact CD2-CG 4.41Å; F512-L514 HydrophobicContact CE2-CD1 4.2Å; F512-L514 HydrophobicContact CE2-CG 4.17Å; L514-A521 HydrophobicContact CD1-CB 3.52Å; L514-V528 HydrophobicContact CD1-CG2 4.37Å; L514-T530 HydrophobicContact CB-CG2 4.21Å; L514-T530 CarbonylContact O-C 3.58Å; L514-T530 WeakPolarHBondContact O-CA 3.22Å; L514-T530 WeakPolarHBondContact O-CB 3.04Å; L514-G531 PolarHBondContact O-N 2.91Å; L514-L542 HydrophobicContact CD1-CD1 4.22Å; L514-L542 HydrophobicContact CD1-CD2 4.25Å; L514-L542 HydrophobicContact CD2-CD2 4.46Å; L514-L544 HydrophobicContact CD1-CD1 4.16Å; L514-L544 HydrophobicContact CD2-CD1 4.36Å; L514-L544 HydrophobicContact CD2-CD2 4.16Å; L514-Y554 VanDerWaalsContact CA-O 3.31Å; L514-Y554 WeakPolarHBondContact CA-O 3.37Å; L514-L555 HydrophobicContact CD2-CB 3.91Å; L514-L555 HydrophobicContact CD2-CD1 3.86Å; L514-L555 HydrophobicContact CD2-CG 4.42Å; L514-L555 HydrophobicContact CG-CD1 4.3Å
515T98.3Very high96.4Very high0 Ų044.7 Ų44.70%024%0.236CC..EExtended strand (participates in β ladder)trans-140.9-175172.762.50000110.5A478 I481 A482 L485 S553 Y554A478-T515 VanDerWaalsContact C-OG1 3.23Å; A478-T515 WeakPolarHBondContact O-CB 3.46Å; A478-T515 PolarHBondContact O-OG1 2.87Å; I481-T515 HydrophobicContact CB-CG2 4.08Å; I481-T515 HydrophobicContact CG2-CG2 3.72Å; A482-T515 HydrophobicContact CB-CG2 3.78Å; L485-T515 HydrophobicContact CD1-CG2 4.37Å; T515-S553 VanDerWaalsContact O-CA 3.3Å; T515-S553 WeakPolarHBondContact O-CA 3.31Å; T515-S553 PolarHBondContact O-OG 3.38Å; T515-Y554 PolarHBondContact N-O 3.31Å; T515-Y554 PolarHBondContact O-N 3.38Å
516G96.5Very high96.2Very high0 Ų045 Ų450%024%0.242CC..EExtended strand (participates in β ladder)trans73.5-149.3-173.600000111.9R552 W612G516-R552 CarbonylContact C-O 3.5Å; G516-R552 WeakPolarHBondContact CA-O 3.42Å; G516-W612 VanDerWaalsContact C-CH2 3.49Å; G516-W612 WeakPolarHBondContact O-CH2 3.47Å
517A96.4Very high96.1Very high0 Ų046.7 Ų46.70%026%0.258CS..SBendtrans-56.6134-178.600000112.6C519 P547 R552A517-C519 PolarHBondContact O-N 2.92Å; A517-P547 HydrophobicContact CB-CB 4.15Å; A517-P547 HydrophobicContact CB-CG 4.35Å; A517-R552 PolarHBondContact N-O 3.39Å
518G93.4Very high96.1Very high39 Ų3942.3 Ų42.340%0.40224%0.238SC..  trans-73.4111.617600000111.4P547G518-P547 WeakPolarHBondContact O-CB 3.24Å
519C94.3Very high96.1Very high5 Ų548 Ų483%0.03425%0.252CS..  trans-104.725.7-173.9-71.30000114.2A517 A521 L544 K545A517-C519 PolarHBondContact O-N 2.92Å; C519-A521 PolarHBondContact O-N 3.16Å; C519-A521 VanDerWaalsContact O-N 3.15Å; C519-L544 HydrophobicContact CB-CB 3.89Å; C519-L544 HydrophobicContact CB-CD2 3.96Å; C519-L544 HydrophobicContact CB-CG 3.84Å; C519-K545 VanDerWaalsContact CB-O 3.26Å; C519-K545 WeakPolarHBondContact CB-O 3.4Å; C519-K545 PolarHBondContact O-N 2.76Å
520E93.4Very high96.2Very high96 Ų9645.5 Ų45.545%0.44924%0.24SC..  trans47.645.2-177.3-61.1172.1-138.300112.4K545 Q548E520-K545 HydrophobicContact CB-CB 4.42Å; E520-K545 HydrophobicContact CB-CD 4.35Å; E520-Q548 PolarHBondContact OE1-NE2 3.04Å; E520-Q548 VanDerWaalsContact OE1-NE2 3.12Å
521A96.4Very high96.3Very high6 Ų644.3 Ų44.35%0.0523%0.228CC..  trans-64.3141.1-170.300000111.7L514 C519 V528 L542 T543 L544L514-A521 HydrophobicContact CD1-CB 3.52Å; C519-A521 PolarHBondContact O-N 3.16Å; C519-A521 VanDerWaalsContact O-N 3.15Å; A521-V528 HydrophobicContact CB-CG2 3.67Å; A521-V528 PolarHBondContact O-N 3.07Å; A521-L542 HydrophobicContact CB-CD1 4.35Å; A521-T543 CarbonylContact C-O 3.58Å; A521-T543 WeakPolarHBondContact CA-O 3.37Å; A521-L544 HydrophobicContact CB-CD1 3.95Å; A521-L544 HydrophobicContact CB-CG 4.09Å
522R97.7Very high96.3Very high111 Ų11148.2 Ų48.242%0.41924%0.242SC..EExtended strand (participates in β ladder)trans-128.2129.9175.9-72-178.8169.9-91.8-1.8110.7D525 N526 L542 T543R522-D525 PolarHBondContact NH1-O 2.89Å; R522-N526 CarbonylContact C-O 3.56Å; R522-N526 VanDerWaalsContact CA-O 3.22Å; R522-N526 WeakPolarHBondContact CA-O 3.06Å; R522-L542 CarbonylContact O-C 3.46Å; R522-L542 WeakPolarHBondContact O-CA 3.34Å; R522-T543 PolarHBondContact N-O 3.38Å; R522-T543 PolarHBondContact O-N 3.37Å
523L97.4Very high96.3Very high13 Ų1349 Ų497%0.06825%0.246CC..EExtended strand (participates in β ladder)trans-100.2104.6167.5-17667.7000107.2F506 F512 D525 N526 V528 Q540 R541 L542F506-L523 HydrophobicContact CD2-CD1 4.22Å; F506-L523 HydrophobicContact CE2-CD1 3.82Å; F512-L523 HydrophobicContact CE1-CD2 4.09Å; F512-L523 HydrophobicContact CZ-CD2 4.41Å; L523-D525 PolarHBondContact O-N 3.31Å; L523-N526 PolarHBondContact N-O 3.16Å; L523-N526 PolarHBondContact O-N 3.01Å; L523-V528 HydrophobicContact CB-CG1 4.03Å; L523-Q540 HydrophobicContact CD1-CB 3.84Å; L523-Q540 HydrophobicContact CG-CB 4.42Å; L523-R541 WeakPolarHBondContact CA-O 3.38Å; L523-L542 HydrophobicContact CB-CD1 4.49Å; L523-L542 HydrophobicContact CD1-CB 4.21Å
524D96.7Very high96.3Very high70 Ų7050.2 Ų50.237%0.37425%0.252SS..THydrogen-bonded Turntrans48.5-116.4-163.9-53.8-34.5000110.8Q540 R541D524-Q540 VanDerWaalsContact OD2-CG 3.31Å; D524-Q540 WeakPolarHBondContact OD2-CG 3.31Å; D524-Q540 PolarHBondContact OD2-NE2 3.22Å; D524-R541 PolarHBondContact N-O 2.76Å; D524-R541 PolarHBondContact OD1-N 3.27Å
525D92.1Very high96.2Very high145 Ų14553.2 Ų53.278%0.77527%0.272SS*.THydrogen-bonded Turntrans-83.6-13.6-178.8-63.6-48.4000113.9R522 L523R522-D525 PolarHBondContact NH1-O 2.89Å; L523-D525 PolarHBondContact O-N 3.31Å
526N95.5Very high96Very high109 Ų10953.4 Ų53.458%0.58327%0.273SS*.EExtended strand (participates in β ladder)trans-94.3129.9-171.7-64.4-55000112R522 L523R522-N526 CarbonylContact C-O 3.56Å; R522-N526 VanDerWaalsContact CA-O 3.22Å; R522-N526 WeakPolarHBondContact CA-O 3.06Å; L523-N526 PolarHBondContact N-O 3.16Å; L523-N526 PolarHBondContact O-N 3.01Å
527A96.2Very high96Very high47 Ų4758.9 Ų58.939%0.38830%0.296SS..EExtended strand (participates in β ladder)trans-71.3134.9170.300000110.4
528V96.1Very high96.1Very high20 Ų2061.5 Ų61.512%0.12132%0.318CS..  trans-125.2146.5177.4-650000110.6L514 A521 L523 L534 L542L514-V528 HydrophobicContact CD1-CG2 4.37Å; A521-V528 HydrophobicContact CB-CG2 3.67Å; A521-V528 PolarHBondContact O-N 3.07Å; L523-V528 HydrophobicContact CB-CG1 4.03Å; V528-L534 HydrophobicContact CB-CD1 3.65Å; V528-L534 HydrophobicContact CG1-CD1 3.94Å; V528-L534 HydrophobicContact CG2-CD1 4.35Å; V528-L542 HydrophobicContact CG2-CD1 3.95Å
529W95.7Very high96.3Very high192 Ų19262 Ų6273%0.72732%0.323SS*.  trans-112.9156.2-175.2-64-79.8000112.3
530T97.2Very high96.4Very high39 Ų3963.6 Ų63.624%0.23933%0.33CS..SBendtrans-71.6156.5176.758.90000111.6L514 Q609L514-T530 HydrophobicContact CB-CG2 4.21Å; L514-T530 CarbonylContact O-C 3.58Å; L514-T530 WeakPolarHBondContact O-CA 3.22Å; L514-T530 WeakPolarHBondContact O-CB 3.04Å; T530-Q609 VanDerWaalsContact C-OE1 3.27Å; T530-Q609 PolarHBondContact OG1-OE1 3.3Å
531G97.3Very high96.6Very high1 Ų165.6 Ų65.61%0.0133%0.334CS..SBendtrans82.718.3177.400000114.3L514 G606 V607L514-G531 PolarHBondContact O-N 2.91Å; G531-G606 CarbonylContact O-C 3.58Å; G531-G606 VanDerWaalsContact O-CA 3.28Å; G531-G606 WeakPolarHBondContact O-CA 3.1Å; G531-V607 PolarHBondContact O-N 2.81Å
532W97.9Very high96.7Very high118 Ų11865.3 Ų65.345%0.44733%0.331SS..EExtended strand (participates in β ladder)trans-127141.8-179.8-74.880.1000112.2A513 L534 A604 Q605A513-W532 WeakPolarHBondContact CA-O 3.3Å; A513-W532 WeakPolarHBondContact CB-O 3.16Å; W532-L534 HydrophobicContact CB-CD1 4.49Å; W532-L534 HydrophobicContact CB-CD2 3.9Å; W532-L534 HydrophobicContact CB-CG 3.95Å; W532-A604 HydrophobicContact CE3-CB 4.4Å; W532-Q605 WeakPolarHBondContact CA-O 3.41Å
533R97.8Very high96.7Very high17 Ų1762.7 Ų62.76%0.06433%0.328CS..EExtended strand (participates in β ladder)trans-77121.9158.7177.5-178.150.3-102.95.8108L485 W511 E603 A604 Q605L485-R533 HydrophobicContact CB-CB 4.23Å; L485-R533 HydrophobicContact CD2-CB 4.36Å; L485-R533 WeakPolarHBondContact O-CB 3.43Å; L485-R533 WeakPolarHBondContact O-CD 3.33Å; L485-R533 WeakPolarHBondContact O-CG 3.41Å; L485-R533 PolarHBondContact O-NH1 3.29Å; W511-R533 HydrophobicContact CB-CG 4.22Å; W511-R533 HydrophobicContact CD2-CG 4.12Å; W511-R533 HydrophobicContact CE3-CG 3.53Å; W511-R533 HydrophobicContact CG-CG 4.43Å; W511-R533 HydrophobicContact CZ3-CG 4.19Å; R533-E603 PolarHBondContact NE-O 3.24Å; R533-E603 PolarHBondContact NH2-O 3.26Å; R533-A604 VanDerWaalsContact O-CA 3.3Å; R533-A604 WeakPolarHBondContact O-CA 3.26Å; R533-A604 VanDerWaalsContact O-CB 3.22Å; R533-A604 WeakPolarHBondContact O-CB 3.06Å; R533-Q605 PolarHBondContact N-O 3.03Å; R533-Q605 VanDerWaalsContact NH2-OE1 3.1Å
534L97.1Very high96.7Very high25 Ų2562.2 Ų62.213%0.13133%0.325CS..EExtended strand (participates in β ladder)trans-126.6142.1-174.4-63172.4000111W511 F512 V528 W532W511-L534 CarbonylContact C-O 3.59Å; W511-L534 WeakPolarHBondContact CA-O 3.38Å; W511-L534 VanDerWaalsContact CE3-C 3.44Å; F512-L534 HydrophobicContact CD1-CB 4.01Å; F512-L534 VanDerWaalsContact CD1-O 3.31Å; F512-L534 WeakPolarHBondContact CD1-O 3.41Å; F512-L534 HydrophobicContact CE1-CB 3.53Å; F512-L534 HydrophobicContact CE1-CD1 4.41Å; F512-L534 HydrophobicContact CE2-CB 4.42Å; F512-L534 HydrophobicContact CE2-CD1 4.1Å; F512-L534 HydrophobicContact CZ-CB 3.77Å; F512-L534 HydrophobicContact CZ-CD1 3.78Å; F512-L534 HydrophobicContact CZ-CG 4.45Å; F512-L534 PolarHBondContact N-O 3.31Å; F512-L534 PolarHBondContact O-N 2.93Å; V528-L534 HydrophobicContact CB-CD1 3.65Å; V528-L534 HydrophobicContact CG1-CD1 3.94Å; V528-L534 HydrophobicContact CG2-CD1 4.35Å; W532-L534 HydrophobicContact CB-CD1 4.49Å; W532-L534 HydrophobicContact CB-CD2 3.9Å; W532-L534 HydrophobicContact CB-CG 3.95Å
535P96.3Very high96.7Very high65 Ų6563.9 Ų63.942%0.42233%0.329SS..EExtended strand (participates in β ladder)trans-75146.1177.331.6-34.1000110.8W511W511-P535 HydrophobicContact CE3-CB 4.14Å; W511-P535 HydrophobicContact CH2-CB 4.32Å; W511-P535 HydrophobicContact CZ3-CB 4.01Å; W511-P535 HydrophobicContact CZ3-CG 4.34Å
536M95.7Very high96.8Very high4 Ų465 Ų652%0.0232%0.322CS..EExtended strand (participates in β ladder)trans-126.2143169.464-169.5-169.100110.5F506 D509 G510 F512 V557 I594F506-M536 HydrophobicContact CB-SD 4.37Å; F506-M536 HydrophobicContact CD1-CE 4.26Å; F506-M536 HydrophobicContact CD1-CG 4.38Å; F506-M536 HydrophobicContact CD1-SD 3.26Å; F506-M536 WeakPolarHBondContact CD1-SD 3.38Å; F506-M536 HydrophobicContact CD2-CB 3.67Å; F506-M536 HydrophobicContact CD2-CG 4.36Å; F506-M536 HydrophobicContact CD2-SD 4.15Å; F506-M536 HydrophobicContact CE1-SD 3.36Å; F506-M536 WeakPolarHBondContact CE1-SD 3.39Å; F506-M536 HydrophobicContact CE2-CB 3.84Å; F506-M536 HydrophobicContact CE2-SD 4.21Å; F506-M536 HydrophobicContact CG-CB 4.02Å; F506-M536 HydrophobicContact CG-CG 4.21Å; F506-M536 HydrophobicContact CG-SD 3.68Å; F506-M536 HydrophobicContact CZ-CB 4.35Å; F506-M536 HydrophobicContact CZ-SD 3.84Å; D509-M536 WeakPolarHBondContact CA-O 3.43Å; G510-M536 PolarHBondContact N-O 3.45Å; G510-M536 PolarHBondContact O-N 3.45Å; F512-M536 HydrophobicContact CB-SD 4.04Å; F512-M536 HydrophobicContact CD1-CB 3.85Å; F512-M536 HydrophobicContact CD1-CG 4.43Å; F512-M536 HydrophobicContact CD1-SD 4.43Å; F512-M536 HydrophobicContact CE1-CB 4.3Å; M536-V557 HydrophobicContact CE-CB 4.45Å; M536-V557 HydrophobicContact CE-CG1 4.34Å; M536-V557 HydrophobicContact SD-CG1 4.29Å; M536-I594 HydrophobicContact CE-CD1 4.27Å
537K96.4Very high96.7Very high115 Ų11560.4 Ų60.450%0.530%0.298SS..  trans-111.1148.6172.2-62.3-58.2-168.4-1790111.1D509 G539 Q540D509-K537 WeakPolarHBondContact OD1-CA 3.33Å; D509-K537 VanDerWaalsContact OD2-CD 3.27Å; D509-K537 WeakPolarHBondContact OD2-CD 3.11Å; D509-K537 IonicContact OD2-NZ 3.5Å; D509-K537 PolarHBondContact OD2-NZ 2.99Å; K537-G539 PolarHBondContact O-N 3.25Å; K537-Q540 HydrophobicContact CB-CG 3.94Å; K537-Q540 WeakPolarHBondContact O-CB 3.37Å; K537-Q540 WeakPolarHBondContact O-CG 3.4Å; K537-Q540 PolarHBondContact O-N 2.82Å; K537-Q540 VanDerWaalsContact O-N 3.16Å
538A97.2Very high96.4Very high54 Ų5465.2 Ų65.245%0.44631%0.313SS..THydrogen-bonded Turntrans-56.1133.417300000110.7F506 D509F506-A538 CarbonylContact O-C 3.25Å; F506-A538 WeakPolarHBondContact O-CA 3.44Å; D509-A538 PolarHBondContact OD1-N 2.9Å
539G96.9Very high96.2Very high50 Ų5071.3 Ų71.352%0.51534%0.339SS..THydrogen-bonded Turntrans89.8-10.4-176.600000115.4F506 K537F506-G539 PolarHBondContact O-N 2.98Å; K537-G539 PolarHBondContact O-N 3.25Å
540Q97.9Very high96.1Very high39 Ų3962.7 Ų62.718%0.18231%0.311CS..  trans-76.3148.2178.3-61.9-164-80.200112.2E505 F506 L523 D524 K537E505-Q540 WeakPolarHBondContact CA-O 3.38Å; F506-Q540 PolarHBondContact N-O 2.81Å; L523-Q540 HydrophobicContact CD1-CB 3.84Å; L523-Q540 HydrophobicContact CG-CB 4.42Å; D524-Q540 VanDerWaalsContact OD2-CG 3.31Å; D524-Q540 WeakPolarHBondContact OD2-CG 3.31Å; D524-Q540 PolarHBondContact OD2-NE2 3.22Å; K537-Q540 HydrophobicContact CB-CG 3.94Å; K537-Q540 WeakPolarHBondContact O-CB 3.37Å; K537-Q540 WeakPolarHBondContact O-CG 3.4Å; K537-Q540 PolarHBondContact O-N 2.82Å; K537-Q540 VanDerWaalsContact O-N 3.16Å
541R98.1Very high96Very high138 Ų13861.7 Ų61.752%0.52130%0.303SS..EExtended strand (participates in β ladder)trans-111.2122.1178.7-68.4-178.1175.9176.80.7111.7V504 E505 L523 D524V504-R541 CarbonylContact O-C 3.52Å; V504-R541 WeakPolarHBondContact O-CA 3.45Å; E505-R541 HydrophobicContact CB-CG 4.19Å; E505-R541 HydrophobicContact CG-CG 4.1Å; E505-R541 IonicContact OE2-CZ 3.26Å; E505-R541 VanDerWaalsContact OE2-CZ 3.26Å; E505-R541 IonicContact OE2-NE 2.81Å; E505-R541 PolarHBondContact OE2-NE 2.81Å; E505-R541 IonicContact OE2-NH2 2.82Å; E505-R541 PolarHBondContact OE2-NH2 2.76Å; L523-R541 WeakPolarHBondContact CA-O 3.38Å; D524-R541 PolarHBondContact N-O 2.76Å; D524-R541 PolarHBondContact OD1-N 3.27Å
542L98.2Very high96Very high0 Ų062.2 Ų62.20%031%0.305CS..EExtended strand (participates in β ladder)trans-94.7119.2170.6178.567.4000109.6T503 V504 F506 F512 L514 A521 R522 L523 V528 L544 L555T503-L542 WeakPolarHBondContact CA-O 3.47Å; V504-L542 HydrophobicContact CG2-CB 3.81Å; V504-L542 HydrophobicContact CG2-CD2 4.25Å; V504-L542 HydrophobicContact CG2-CG 4.45Å; V504-L542 PolarHBondContact N-O 2.74Å; V504-L542 PolarHBondContact O-N 3.15Å; F506-L542 HydrophobicContact CE2-CB 3.81Å; F506-L542 HydrophobicContact CZ-CB 4.05Å; F506-L542 HydrophobicContact CZ-CD2 4.03Å; F512-L542 HydrophobicContact CD2-CD2 4Å; F512-L542 HydrophobicContact CE2-CD1 4.03Å; F512-L542 HydrophobicContact CE2-CD2 3.7Å; F512-L542 HydrophobicContact CZ-CD1 4.19Å; F512-L542 HydrophobicContact CZ-CD2 4.45Å; L514-L542 HydrophobicContact CD1-CD1 4.22Å; L514-L542 HydrophobicContact CD1-CD2 4.25Å; L514-L542 HydrophobicContact CD2-CD2 4.46Å; A521-L542 HydrophobicContact CB-CD1 4.35Å; R522-L542 CarbonylContact O-C 3.46Å; R522-L542 WeakPolarHBondContact O-CA 3.34Å; L523-L542 HydrophobicContact CB-CD1 4.49Å; L523-L542 HydrophobicContact CD1-CB 4.21Å; V528-L542 HydrophobicContact CG2-CD1 3.95Å; L542-L544 HydrophobicContact CD1-CD1 4.18Å; L542-L544 HydrophobicContact CD2-CD1 4.09Å; L542-L544 HydrophobicContact CG-CD1 3.78Å; L542-L555 HydrophobicContact CD2-CD1 3.89Å; L542-L555 HydrophobicContact CD2-CD2 4.03Å
543T98Very high95.9Very high56 Ų5656.6 Ų56.634%0.34428%0.284SS..EExtended strand (participates in β ladder)trans-116.6124.5-179.7-52.20000110.8L502 A521 R522L502-T543 CarbonylContact O-C 3.57Å; L502-T543 WeakPolarHBondContact O-CA 3.34Å; A521-T543 CarbonylContact C-O 3.58Å; A521-T543 WeakPolarHBondContact CA-O 3.37Å; R522-T543 PolarHBondContact N-O 3.38Å; R522-T543 PolarHBondContact O-N 3.37Å
544L97.5Very high96Very high3 Ų355.9 Ų55.92%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-107.5132174.1-83.966.1000110I497 Q501 L502 L514 C519 A521 L542I497-L544 HydrophobicContact CD1-CD2 3.89Å; Q501-L544 WeakPolarHBondContact CA-O 3.41Å; Q501-L544 PolarHBondContact N-O 3.04Å; L502-L544 HydrophobicContact CB-CB 4.43Å; L502-L544 PolarHBondContact N-O 2.82Å; L502-L544 PolarHBondContact O-N 3.19Å; L514-L544 HydrophobicContact CD1-CD1 4.16Å; L514-L544 HydrophobicContact CD2-CD1 4.36Å; L514-L544 HydrophobicContact CD2-CD2 4.16Å; C519-L544 HydrophobicContact CB-CB 3.89Å; C519-L544 HydrophobicContact CB-CD2 3.96Å; C519-L544 HydrophobicContact CB-CG 3.84Å; A521-L544 HydrophobicContact CB-CD1 3.95Å; A521-L544 HydrophobicContact CB-CG 4.09Å; L542-L544 HydrophobicContact CD1-CD1 4.18Å; L542-L544 HydrophobicContact CD2-CD1 4.09Å; L542-L544 HydrophobicContact CG-CD1 3.78Å
545K95.7Very high96Very high104 Ų10455 Ų5545%0.45228%0.277SS..PPolyproline II helixtrans-91.3174172.7-63.7-174.2179.7-179.90111.5G500 C519 E520G500-K545 WeakPolarHBondContact CA-O 3.37Å; C519-K545 VanDerWaalsContact CB-O 3.26Å; C519-K545 WeakPolarHBondContact CB-O 3.4Å; C519-K545 PolarHBondContact O-N 2.76Å; E520-K545 HydrophobicContact CB-CB 4.42Å; E520-K545 HydrophobicContact CB-CD 4.35Å
546R94.7Very high96.1Very high170 Ų17051.9 Ų51.964%0.64226%0.256SS*.PPolyproline II helixtrans-63.4128.3171.2-177.5177.2177.7170.60.7109.9Q501Q501-R546 HydrophobicContact CG-CB 4.43Å
547P93.7Very high96.2Very high11 Ų1152.3 Ų52.37%0.07126%0.259CS..PPolyproline II helixtrans-72.9147.8179.929.7-33.9000112L499 A517 G518L499-P547 HydrophobicContact CD2-CG 4.47Å; A517-P547 HydrophobicContact CB-CB 4.15Å; A517-P547 HydrophobicContact CB-CG 4.35Å; G518-P547 WeakPolarHBondContact O-CB 3.24Å
548Q89.8Confident96.2Very high148 Ų14847.3 Ų47.369%0.69224%0.239SC*.SBendtrans-81.9-30.3170.7-62.4179.828.600112.2E520E520-Q548 PolarHBondContact OE1-NE2 3.04Å; E520-Q548 VanDerWaalsContact OE1-NE2 3.12Å
549H91.7Very high96Very high148 Ų14845.8 Ų45.869%0.68523%0.229SC*.SBendtrans-132.8143.3179.2-53.894.5000109.6
550G93.6Very high95.9Very high12 Ų1243.6 Ų43.612%0.12421%0.206CC..  trans81.9177.6-174.700000112.8Q713G550-Q713 CarbonylContact C-O 3.47Å; G550-Q713 VanDerWaalsContact CA-O 3.27Å; G550-Q713 WeakPolarHBondContact CA-O 3.43Å
551M94.3Very high95.8Very high17 Ų1742.5 Ų42.58%0.08420%0.201CC..SBendtrans-128.9-40-179-77.8-72.5-66.600112.8T498 L499 P715 L716T498-M551 HydrophobicContact CG2-CE 4.18Å; L499-M551 HydrophobicContact CD1-CE 4.2Å; L499-M551 HydrophobicContact CD2-CE 4.1Å; L499-M551 HydrophobicContact CD2-SD 3.55Å; L499-M551 VanDerWaalsContact CD2-SD 3.55Å; L499-M551 HydrophobicContact CG-CE 3.95Å; L499-M551 HydrophobicContact CG-SD 4.09Å; L499-M551 PolarHBondContact N-O 3.36Å; M551-P715 HydrophobicContact SD-CB 4.43Å; M551-L716 HydrophobicContact CE-CG 4.47Å
552R97Very high95.5Very high12 Ų1240.9 Ų40.95%0.04520%0.203CC..EExtended strand (participates in β ladder)trans-119.7127.9-168.7-71.8171.417886-4111.9E496 I497 G516 A517 Y554 Y651 A712 Q713E496-R552 IonicContact OE1-NE 3.4Å; E496-R552 PolarHBondContact OE1-NE 3.33Å; I497-R552 CarbonylContact O-C 3.57Å; I497-R552 VanDerWaalsContact O-CA 3.28Å; I497-R552 WeakPolarHBondContact O-CA 3.49Å; G516-R552 CarbonylContact C-O 3.5Å; G516-R552 WeakPolarHBondContact CA-O 3.42Å; A517-R552 PolarHBondContact N-O 3.39Å; R552-Y554 HydrophobicContact CB-CE2 4.23Å; R552-Y651 PolarHBondContact NH1-OH 2.92Å; R552-A712 PolarHBondContact NH1-O 3.02Å; R552-Q713 PolarHBondContact O-NE2 2.88Å; R552-Q713 PolarHBondContact O-OE1 2.73Å
553S97.5Very high95.2Very high1 Ų141.4 Ų41.41%0.00721%0.206CC..EExtended strand (participates in β ladder)trans-110.9155.7172.2-172.90000110.1I497 T515I497-S553 PolarHBondContact N-O 2.87Å; I497-S553 PolarHBondContact O-N 3.05Å; T515-S553 VanDerWaalsContact O-CA 3.3Å; T515-S553 WeakPolarHBondContact O-CA 3.31Å; T515-S553 PolarHBondContact O-OG 3.38Å
554Y98.2Very high94.7Very high1 Ų143.4 Ų43.40%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-125.8136.2178.7-62.7-97.2000110.5A473 L474 D475 A478 L479 L495 E496 L514 T515 R552A473-Y554 HydrophobicContact CB-CD1 4.29Å; A473-Y554 HydrophobicContact CB-CE1 3.37Å; L474-Y554 PolarHBondContact N-OH 3.49Å; D475-Y554 HydrophobicContact CB-CE2 3.64Å; D475-Y554 PolarHBondContact N-OH 2.84Å; A478-Y554 HydrophobicContact CB-CD2 3.56Å; A478-Y554 HydrophobicContact CB-CE2 3.84Å; A478-Y554 HydrophobicContact CB-CG 4.42Å; L479-Y554 HydrophobicContact CB-CD1 4.07Å; L479-Y554 HydrophobicContact CB-CE1 4.31Å; L479-Y554 HydrophobicContact CD1-CD1 4.21Å; L495-Y554 CarbonylContact O-C 3.47Å; L495-Y554 WeakPolarHBondContact O-CA 3.42Å; E496-Y554 HydrophobicContact CB-CD1 4.04Å; E496-Y554 HydrophobicContact CB-CE1 3.6Å; E496-Y554 VanDerWaalsContact CD-OH 3.29Å; E496-Y554 HydrophobicContact CG-CD1 4.27Å; E496-Y554 HydrophobicContact CG-CE1 3.53Å; E496-Y554 WeakPolarHBondContact OE2-CE1 3.44Å; E496-Y554 PolarHBondContact OE2-OH 2.91Å; L514-Y554 VanDerWaalsContact CA-O 3.31Å; L514-Y554 WeakPolarHBondContact CA-O 3.37Å; T515-Y554 PolarHBondContact N-O 3.31Å; T515-Y554 PolarHBondContact O-N 3.38Å; R552-Y554 HydrophobicContact CB-CE2 4.23Å
555L98.2Very high94.2Very high7 Ų747.6 Ų47.64%0.03725%0.248CC..EExtended strand (participates in β ladder)trans-119.5113176.6173.361.4000109.7A494 L495 I497 L502 V504 F512 A513 L514 L542A494-L555 WeakPolarHBondContact CB-O 3.44Å; L495-L555 HydrophobicContact CB-CB 4.3Å; L495-L555 HydrophobicContact CD1-CD2 4.4Å; L495-L555 PolarHBondContact N-O 3.04Å; L495-L555 PolarHBondContact O-N 2.84Å; I497-L555 HydrophobicContact CD1-CB 4.04Å; L502-L555 HydrophobicContact CD2-CD2 4.45Å; V504-L555 HydrophobicContact CG2-CD2 4.02Å; F512-L555 HydrophobicContact CB-CD1 4.16Å; F512-L555 HydrophobicContact CD2-CD1 3.62Å; F512-L555 HydrophobicContact CG-CD1 4.33Å; A513-L555 WeakPolarHBondContact O-CA 3.43Å; L514-L555 HydrophobicContact CD2-CB 3.91Å; L514-L555 HydrophobicContact CD2-CD1 3.86Å; L514-L555 HydrophobicContact CD2-CG 4.42Å; L514-L555 HydrophobicContact CG-CD1 4.3Å; L542-L555 HydrophobicContact CD2-CD1 3.89Å; L542-L555 HydrophobicContact CD2-CD2 4.03Å
556A97.9Very high93.7Very high0 Ų045.1 Ų45.10%024%0.241CC..EExtended strand (participates in β ladder)trans-107.7146172.200000110.4A482 V486 A494 F512 A513A482-A556 HydrophobicContact CB-CB 3.67Å; V486-A556 HydrophobicContact CG2-CB 4.01Å; A494-A556 HydrophobicContact CB-CB 4.06Å; F512-A556 CarbonylContact C-O 3.54Å; F512-A556 WeakPolarHBondContact CA-O 3.45Å; F512-A556 WeakPolarHBondContact CB-O 3.43Å; A513-A556 PolarHBondContact N-O 2.86Å; A513-A556 PolarHBondContact O-N 3.27Å
557V97.5Very high93Very high12 Ų1240.5 Ų40.57%0.07323%0.228CC..EExtended strand (participates in β ladder)trans-122.6144.9174.7-68.60000109.3N488 F506 F512 M536 G559 G560 I561 I594N488-V557 PolarHBondContact ND2-O 3.42Å; F506-V557 HydrophobicContact CE1-CG1 4.22Å; F512-V557 HydrophobicContact CB-CG1 4.13Å; M536-V557 HydrophobicContact CE-CB 4.45Å; M536-V557 HydrophobicContact CE-CG1 4.34Å; M536-V557 HydrophobicContact SD-CG1 4.29Å; V557-G559 PolarHBondContact O-N 3.46Å; V557-G560 PolarHBondContact O-N 3.41Å; V557-I561 HydrophobicContact CG2-CG1 4.27Å; V557-I594 HydrophobicContact CB-CD1 4.39Å; V557-I594 HydrophobicContact CB-CG2 4.47Å; V557-I594 HydrophobicContact CG2-CD1 4.13Å; V557-I594 HydrophobicContact CG2-CG1 4.1Å; V557-I594 HydrophobicContact CG2-CG2 3.87Å
558A96.9Very high92.3Very high10 Ų1042.6 Ų42.68%0.08325%0.252CS..THydrogen-bonded Turntrans-60.7127.4179.200000110.7V486 W511 I594V486-A558 HydrophobicContact CB-CB 4.16Å; W511-A558 HydrophobicContact CB-CB 4.11Å; W511-A558 PolarHBondContact O-N 3.17Å; A558-I594 WeakPolarHBondContact O-CG2 3.21Å
559G93.4Very high92Very high23 Ų2335.6 Ų35.624%0.23722%0.219CC..THydrogen-bonded Turntrans98.3-16.2-171.500000114.4N488 V557 G595N488-G559 PolarHBondContact OD1-N 3.15Å; V557-G559 PolarHBondContact O-N 3.46Å; G559-G595 WeakPolarHBondContact O-CA 3.38Å
560G94Very high92.1Very high3 Ų329.4 Ų29.43%0.03119%0.192CC..  trans77.5168.9-178.800000113.3N488 V557 I594 G595N488-G560 PolarHBondContact ND2-N 3.48Å; N488-G560 PolarHBondContact OD1-N 3.14Å; V557-G560 PolarHBondContact O-N 3.41Å; G560-I594 WeakPolarHBondContact O-CA 3.5Å; G560-G595 PolarHBondContact O-N 3.03Å
561I95.3Very high92Very high16 Ų1629.3 Ų29.38%0.08219%0.19CC..BIsolated β-bridgetrans-86120.9174.8-59.4171.8000109P493 L495 V557 V563 L592P493-I561 HydrophobicContact CB-CB 4.16Å; P493-I561 WeakPolarHBondContact CB-O 3.44Å; P493-I561 PolarHBondContact O-N 3.1Å; P493-I561 VanDerWaalsContact O-N 3.14Å; L495-I561 HydrophobicContact CD2-CD1 3.48Å; L495-I561 VanDerWaalsContact CD2-CD1 3.48Å; L495-I561 HydrophobicContact CG-CD1 3.59Å; V557-I561 HydrophobicContact CG2-CG1 4.27Å; I561-V563 HydrophobicContact CG2-CG1 4.05Å; I561-V563 PolarHBondContact O-N 3.21Å; I561-V563 VanDerWaalsContact O-N 3.1Å; I561-L592 HydrophobicContact CG2-CB 4.17Å; I561-L592 HydrophobicContact CG2-CD2 4.18Å
562D93.6Very high91.9Very high104 Ų10430.7 Ų30.756%0.55620%0.199SC*.  trans-89.372.3-171.4-169.814.4000112.1P593D562-P593 HydrophobicContact CB-CB 4.31Å; D562-P593 HydrophobicContact CB-CG 4.23Å; D562-P593 PolarHBondContact N-O 3.44Å; D562-P593 WeakPolarHBondContact O-CG 3.44Å
563V91Very high91.6Very high12 Ų1230.2 Ų30.27%0.07320%0.197CC..  trans-105.7147.5174.1-71.40000110.9I561 C570 L592I561-V563 HydrophobicContact CG2-CG1 4.05Å; I561-V563 PolarHBondContact O-N 3.21Å; I561-V563 VanDerWaalsContact O-N 3.1Å; V563-C570 HydrophobicContact CG2-CB 3.71Å; V563-C570 PolarHBondContact O-SG 2.84Å; V563-L592 HydrophobicContact CG1-CD2 4.34Å
564P88.1Confident91.1Very high97 Ų9733.9 Ų33.963%0.6322%0.216SC*.  trans-60.3129.7-178.2-23.433.4000112.3V566P564-V566 PolarHBondContact O-N 3.31Å
565P87.5Confident90.5Very high92 Ų9239.5 Ų39.560%0.59725%0.246SC*.  trans-70.2126.4174.927.8-33.2000110.3
566V83.5Confident89.8Confident51 Ų5142.5 Ų42.531%0.30927%0.265SS..BIsolated β-bridgetrans-107.8114.4175.7-177.20000108.7R460 P564 S569 I578R460-V566 PolarHBondContact NE-O 3.03Å; R460-V566 PolarHBondContact NH2-O 3.1Å; P564-V566 PolarHBondContact O-N 3.31Å; V566-S569 PolarHBondContact N-O 3.01Å; V566-S569 PolarHBondContact O-N 3.34Å; V566-I578 HydrophobicContact CG1-CB 4.16Å
567M80.5Confident89.5Confident73 Ų7344.5 Ų44.536%0.3629%0.285SS..THydrogen-bonded Turntrans54.649.8-171.2-63.3179.2-84.400112R460 F463 I468 S569 I578R460-M567 HydrophobicContact CG-CB 4.19Å; F463-M567 HydrophobicContact CD1-SD 4.4Å; F463-M567 HydrophobicContact CD2-CB 4.18Å; F463-M567 HydrophobicContact CE1-CB 4.46Å; F463-M567 HydrophobicContact CE2-CB 3.75Å; F463-M567 VanDerWaalsContact CE2-O 3.26Å; F463-M567 WeakPolarHBondContact CE2-O 3.35Å; F463-M567 HydrophobicContact CG-SD 4.46Å; F463-M567 HydrophobicContact CZ-CB 3.91Å; I468-M567 HydrophobicContact CD1-CE 4.31Å; I468-M567 HydrophobicContact CG1-CE 4.39Å; I468-M567 HydrophobicContact CG1-SD 4.45Å; I468-M567 HydrophobicContact CG2-CE 4.23Å; M567-S569 VanDerWaalsContact C-N 3.25Å; M567-S569 PolarHBondContact O-N 2.87Å; M567-I578 HydrophobicContact CE-CD1 3.22Å
568G78.4Confident89.2Confident56 Ų5645.6 Ų45.658%0.57729%0.29SS*.THydrogen-bonded Turntrans70.712.6177.200000115.4
569S84.7Confident88.8Confident1 Ų145.3 Ų45.31%0.00729%0.289CS..BIsolated β-bridgetrans-145.9141.4-179.3-176.80000112.6G459 R460 V566 M567 S571G459-S569 WeakPolarHBondContact O-CB 3.43Å; G459-S569 PolarHBondContact O-OG 3.07Å; R460-S569 PolarHBondContact N-OG 3.39Å; R460-S569 PolarHBondContact NH2-O 2.66Å; V566-S569 PolarHBondContact N-O 3.01Å; V566-S569 PolarHBondContact O-N 3.34Å; M567-S569 VanDerWaalsContact C-N 3.25Å; M567-S569 PolarHBondContact O-N 2.87Å; S569-S571 WeakPolarHBondContact OG-CB 3.26Å; S569-S571 PolarHBondContact OG-N 3.25Å; S569-S571 PolarHBondContact OG-OG 3.08Å
570C92.2Very high88.7Confident17 Ų1744.8 Ų44.812%0.11528%0.284CS..  trans-90.20.7173.5-60.30000113D457 P493 V563 T572 G580D457-C570 HydrophobicContact CB-CB 4.31Å; D457-C570 WeakPolarHBondContact OD2-CB 3.27Å; P493-C570 HydrophobicContact CB-CB 4.06Å; P493-C570 HydrophobicContact CG-CB 3.69Å; V563-C570 HydrophobicContact CG2-CB 3.71Å; V563-C570 PolarHBondContact O-SG 2.84Å; C570-T572 PolarHBondContact O-N 3.17Å; C570-G580 VanDerWaalsContact O-CA 3.27Å; C570-G580 WeakPolarHBondContact O-CA 3.47Å; C570-G580 PolarHBondContact O-N 3.47Å
571S92.1Very high88.6Confident11 Ų1146.4 Ų46.48%0.07729%0.291CS..  trans-66.3128.8-179.8-63.20000112.4R460 G472 S569 D573R460-S571 PolarHBondContact NH1-O 2.86Å; R460-S571 PolarHBondContact NH2-O 3.37Å; G472-S571 VanDerWaalsContact CA-OG 3.28Å; G472-S571 WeakPolarHBondContact CA-OG 3.41Å; G472-S571 PolarHBondContact N-OG 3.03Å; S569-S571 WeakPolarHBondContact OG-CB 3.26Å; S569-S571 PolarHBondContact OG-N 3.25Å; S569-S571 PolarHBondContact OG-OG 3.08Å; S571-D573 PolarHBondContact O-N 3.49Å
572T93.1Very high88.5Confident46 Ų4652.4 Ų52.428%0.28232%0.319SS..  trans-68.9124.4174.7-45.30000110.9C570 L574 I578C570-T572 PolarHBondContact O-N 3.17Å; T572-L574 HydrophobicContact CG2-CD2 3.99Å; T572-L574 HydrophobicContact CG2-CG 4.33Å; T572-I578 CarbonylContact C-O 3.57Å; T572-I578 WeakPolarHBondContact CA-O 3.32Å
573D91.1Very high88.4Confident1 Ų147.7 Ų47.71%0.00530%0.295CS..BIsolated β-bridgetrans-105.7104.9165.7-171.7-34.7000108C471 S571 N575 V576 G577 I578C471-D573 VanDerWaalsContact SG-CB 3.54Å; C471-D573 VanDerWaalsContact SG-CG 3.59Å; C471-D573 PolarHBondContact SG-OD2 3.4Å; S571-D573 PolarHBondContact O-N 3.49Å; D573-N575 VanDerWaalsContact C-N 3.3Å; D573-N575 PolarHBondContact O-N 3.48Å; D573-N575 PolarHBondContact OD1-N 3.33Å; D573-V576 HydrophobicContact CB-CB 4.34Å; D573-V576 PolarHBondContact OD1-N 3.05Å; D573-G577 WeakPolarHBondContact O-CA 3.37Å; D573-G577 PolarHBondContact O-N 3.43Å; D573-I578 HydrophobicContact CB-CD1 4.43Å; D573-I578 HydrophobicContact CB-CG1 3.77Å; D573-I578 PolarHBondContact N-O 3.16Å; D573-I578 PolarHBondContact O-N 3.23Å
574L87Confident88.5Confident78 Ų7850 Ų5041%0.40830%0.302SS..THydrogen-bonded Turntrans-72.4-24.3-177-67.3168.5000112.9T572 L585T572-L574 HydrophobicContact CG2-CD2 3.99Å; T572-L574 HydrophobicContact CG2-CG 4.33Å; L574-L585 HydrophobicContact CD1-CD2 3.78Å; L574-L585 HydrophobicContact CD1-CG 4.33Å; L574-L585 HydrophobicContact CD2-CD2 3.98Å; L574-L585 HydrophobicContact CD2-CG 3.95Å
575N83.7Confident88.9Confident119 Ų11951.3 Ų51.364%0.63630%0.303SS*.THydrogen-bonded Turntrans-78.1-37.8-178.4-171.340.6000110.6D573D573-N575 VanDerWaalsContact C-N 3.3Å; D573-N575 PolarHBondContact O-N 3.48Å; D573-N575 PolarHBondContact OD1-N 3.33Å
576V85Confident89.3Confident71 Ų7150.7 Ų50.743%0.4329%0.294SS..THydrogen-bonded Turntrans-89.9-25.5178-176.90000112.1D573 I578D573-V576 HydrophobicContact CB-CB 4.34Å; D573-V576 PolarHBondContact OD1-N 3.05Å; V576-I578 HydrophobicContact CB-CD1 4.3Å; V576-I578 HydrophobicContact CB-CG1 4.04Å; V576-I578 HydrophobicContact CG1-CD1 3.91Å; V576-I578 HydrophobicContact CG1-CG1 3.94Å; V576-I578 HydrophobicContact CG1-CG2 4.04Å
577G90.2Very high89.9Confident41 Ų4154.3 Ų54.342%0.42331%0.306SS..THydrogen-bonded Turntrans79.342.9-178.500000113.2D573D573-G577 WeakPolarHBondContact O-CA 3.37Å; D573-G577 PolarHBondContact O-N 3.43Å
578I91.2Very high90.7Very high35 Ų3558.9 Ų58.918%0.17933%0.332CS..BIsolated β-bridgetrans-134.3159-176.458.6169.1000112.8V566 M567 T572 D573 V576V566-I578 HydrophobicContact CG1-CB 4.16Å; M567-I578 HydrophobicContact CE-CD1 3.22Å; T572-I578 CarbonylContact C-O 3.57Å; T572-I578 WeakPolarHBondContact CA-O 3.32Å; D573-I578 HydrophobicContact CB-CD1 4.43Å; D573-I578 HydrophobicContact CB-CG1 3.77Å; D573-I578 PolarHBondContact N-O 3.16Å; D573-I578 PolarHBondContact O-N 3.23Å; V576-I578 HydrophobicContact CB-CD1 4.3Å; V576-I578 HydrophobicContact CB-CG1 4.04Å; V576-I578 HydrophobicContact CG1-CD1 3.91Å; V576-I578 HydrophobicContact CG1-CG1 3.94Å; V576-I578 HydrophobicContact CG1-CG2 4.04Å
579G89.4Confident91.5Very high5 Ų559.9 Ų59.95%0.05234%0.342CS..SBendtrans76177.117800000114G583G579-G583 WeakPolarHBondContact O-CA 3.41Å; G579-G583 PolarHBondContact O-N 3.23Å
580G90.3Very high92.1Very high12 Ų1261.9 Ų61.912%0.12435%0.353CS..THydrogen-bonded Turntrans56-141.3-176.100000112.8C570 E582C570-G580 VanDerWaalsContact O-CA 3.27Å; C570-G580 WeakPolarHBondContact O-CA 3.47Å; C570-G580 PolarHBondContact O-N 3.47Å; G580-E582 PolarHBondContact O-N 2.75Å
581L93.4Very high92.3Very high36 Ų3669.3 Ų69.319%0.18838%0.379CS..THydrogen-bonded Turntrans-88.9101.7169.4-173.267.1000109.1G583 R584 L586 D590 L592L581-G583 PolarHBondContact O-N 3.15Å; L581-G583 VanDerWaalsContact O-N 3.08Å; L581-R584 VanDerWaalsContact O-CG 3.25Å; L581-R584 WeakPolarHBondContact O-CG 3.03Å; L581-R584 PolarHBondContact O-N 2.83Å; L581-L586 HydrophobicContact CB-CD2 4.07Å; L581-L586 HydrophobicContact CD2-CD2 3.82Å; L581-D590 HydrophobicContact CD2-CB 3.85Å; L581-L592 HydrophobicContact CB-CD2 4.15Å; L581-L592 HydrophobicContact CD2-CD2 4.15Å
582E91.8Very high92.5Very high142 Ų14271.1 Ų71.166%0.66439%0.387SS*.THydrogen-bonded Turntrans58.120.7175.1-52.8171.5159.600115.2G580 R584G580-E582 PolarHBondContact O-N 2.75Å; E582-R584 VanDerWaalsContact C-N 3.34Å; E582-R584 HydrophobicContact CB-CG 4.24Å; E582-R584 PolarHBondContact O-N 3.21Å; E582-R584 IonicContact OE2-CZ 3.27Å; E582-R584 IonicContact OE2-NE 3.47Å; E582-R584 PolarHBondContact OE2-NE 3.46Å; E582-R584 IonicContact OE2-NH2 2.75Å; E582-R584 PolarHBondContact OE2-NH2 2.97Å
583G91.1Very high92.6Very high5 Ų572.2 Ų72.25%0.05240%0.395CS..THydrogen-bonded Turntrans74.517.4177.500000115.5G579 L581G579-G583 WeakPolarHBondContact O-CA 3.41Å; G579-G583 PolarHBondContact O-N 3.23Å; L581-G583 PolarHBondContact O-N 3.15Å; L581-G583 VanDerWaalsContact O-N 3.08Å
584R95.1Very high92.8Very high60 Ų6075 Ų7523%0.22641%0.409CS..SBendtrans-128172.4-172.359170.2179.381.6-0.5113.3L581 E582 D590L581-R584 VanDerWaalsContact O-CG 3.25Å; L581-R584 WeakPolarHBondContact O-CG 3.03Å; L581-R584 PolarHBondContact O-N 2.83Å; E582-R584 VanDerWaalsContact C-N 3.34Å; E582-R584 HydrophobicContact CB-CG 4.24Å; E582-R584 PolarHBondContact O-N 3.21Å; E582-R584 IonicContact OE2-CZ 3.27Å; E582-R584 IonicContact OE2-NE 3.47Å; E582-R584 PolarHBondContact OE2-NE 3.46Å; E582-R584 IonicContact OE2-NH2 2.75Å; E582-R584 PolarHBondContact OE2-NH2 2.97Å; R584-D590 IonicContact CZ-OD1 3.26Å; R584-D590 IonicContact CZ-OD2 2.77Å; R584-D590 IonicContact NH1-OD1 3.68Å; R584-D590 PolarHBondContact NH1-OD1 3.45Å; R584-D590 IonicContact NH1-OD2 3.01Å; R584-D590 PolarHBondContact NH1-OD2 3.43Å; R584-D590 IonicContact NH2-OD1 3.51Å; R584-D590 PolarHBondContact NH2-OD1 2.93Å; R584-D590 IonicContact NH2-OD2 3.32Å; R584-D590 PolarHBondContact NH2-OD2 3.36Å
585L94.5Very high93.1Very high125 Ų12572.2 Ų72.265%0.65440%0.399SS*.  trans-65147.3165.1-62.4178.4000110.2L574L574-L585 HydrophobicContact CD1-CD2 3.78Å; L574-L585 HydrophobicContact CD1-CG 4.33Å; L574-L585 HydrophobicContact CD2-CD2 3.98Å; L574-L585 HydrophobicContact CD2-CG 3.95Å
586L96.4Very high93.5Very high79 Ų7976 Ų7641%0.41441%0.41SS..  trans-66.4146.5170.1-61.4179000110.2L495 L581 D590 L592L495-L586 HydrophobicContact CD1-CD1 4.19Å; L495-L586 HydrophobicContact CD2-CD1 3.76Å; L581-L586 HydrophobicContact CB-CD2 4.07Å; L581-L586 HydrophobicContact CD2-CD2 3.82Å; L586-D590 WeakPolarHBondContact CA-OD2 3.39Å; L586-L592 HydrophobicContact CD1-CD1 3.87Å; L586-L592 HydrophobicContact CD2-CD1 4.25Å; L586-L592 HydrophobicContact CD2-CD2 4.19Å
587K95.8Very high93.8Very high128 Ų12874.6 Ų74.656%0.55740%0.403SS*.  trans-128.4160.9176.965.9-174.1177.4-171.70110.3G589 D590K587-G589 PolarHBondContact O-N 3.45Å; K587-D590 VanDerWaalsContact CE-OD1 3.31Å; K587-D590 WeakPolarHBondContact CE-OD1 3.06Å; K587-D590 WeakPolarHBondContact CG-OD2 3.32Å; K587-D590 PolarHBondContact N-OD2 2.92Å; K587-D590 WeakPolarHBondContact O-CB 3.42Å; K587-D590 PolarHBondContact O-N 3.24Å; K587-D590 VanDerWaalsContact O-N 3.1Å
588D97.2Very high93.6Very high168 Ų16882 Ų8290%0.89842%0.424SS*.THydrogen-bonded Turntrans-52.5127.5175-64.820.1000110.7
589G95.8Very high93.3Very high77 Ų7785.1 Ų85.179%0.79444%0.437SS*.THydrogen-bonded Turntrans92.7-5.8-179.600000115.7K587K587-G589 PolarHBondContact O-N 3.45Å
590D97.4Very high93.2Very high44 Ų4491.9 Ų91.924%0.23547%0.472CS..  trans-62.7144.4170.8-74.4-26.6000111.2L581 R584 L586 K587L581-D590 HydrophobicContact CD2-CB 3.85Å; R584-D590 IonicContact CZ-OD1 3.26Å; R584-D590 IonicContact CZ-OD2 2.77Å; R584-D590 IonicContact NH1-OD1 3.68Å; R584-D590 PolarHBondContact NH1-OD1 3.45Å; R584-D590 IonicContact NH1-OD2 3.01Å; R584-D590 PolarHBondContact NH1-OD2 3.43Å; R584-D590 IonicContact NH2-OD1 3.51Å; R584-D590 PolarHBondContact NH2-OD1 2.93Å; R584-D590 IonicContact NH2-OD2 3.32Å; R584-D590 PolarHBondContact NH2-OD2 3.36Å; L586-D590 WeakPolarHBondContact CA-OD2 3.39Å; K587-D590 VanDerWaalsContact CE-OD1 3.31Å; K587-D590 WeakPolarHBondContact CE-OD1 3.06Å; K587-D590 WeakPolarHBondContact CG-OD2 3.32Å; K587-D590 PolarHBondContact N-OD2 2.92Å; K587-D590 WeakPolarHBondContact O-CB 3.42Å; K587-D590 PolarHBondContact O-N 3.24Å; K587-D590 VanDerWaalsContact O-N 3.1Å
591R97Very high93.1Very high173 Ų17393.4 Ų93.465%0.65348%0.475SS*.  trans-121.2131.3173.8-65.3174.175.2-177.74.7108.9E507E507-R591 IonicContact OE1-CZ 3.05Å; E507-R591 IonicContact OE1-NE 2.82Å; E507-R591 PolarHBondContact OE1-NE 2.95Å; E507-R591 IonicContact OE1-NH2 3.63Å; E507-R591 PolarHBondContact OE1-NH2 3.47Å; E507-R591 IonicContact OE2-CZ 3.45Å; E507-R591 IonicContact OE2-NE 3.47Å; E507-R591 PolarHBondContact OE2-NE 3.13Å; E507-R591 IonicContact OE2-NH2 2.87Å; E507-R591 PolarHBondContact OE2-NH2 3.21Å
592L96.3Very high92.8Very high49 Ų4999.5 Ų99.526%0.25751%0.505SS..  trans-111.4120.1-178.9-69.5166.7000109.4L495 I561 V563 L581 L586L495-L592 HydrophobicContact CD1-CD1 4.15Å; L495-L592 HydrophobicContact CD2-CD1 3.73Å; L495-L592 HydrophobicContact CG-CD1 4.43Å; I561-L592 HydrophobicContact CG2-CB 4.17Å; I561-L592 HydrophobicContact CG2-CD2 4.18Å; V563-L592 HydrophobicContact CG1-CD2 4.34Å; L581-L592 HydrophobicContact CB-CD2 4.15Å; L581-L592 HydrophobicContact CD2-CD2 4.15Å; L586-L592 HydrophobicContact CD1-CD1 3.87Å; L586-L592 HydrophobicContact CD2-CD1 4.25Å; L586-L592 HydrophobicContact CD2-CD2 4.19Å
593P96Very high92.7Very high68 Ų68100 Ų10044%0.44251%0.507SS..  trans-66.5143.8174.830.4-37.1000110.6D562D562-P593 HydrophobicContact CB-CB 4.31Å; D562-P593 HydrophobicContact CB-CG 4.23Å; D562-P593 PolarHBondContact N-O 3.44Å; D562-P593 WeakPolarHBondContact O-CG 3.44Å
594I95.3Very high92.8Very high61 Ų61102 Ų10231%0.31352%0.523SS..BIsolated β-bridgetrans-105.7133.1177.4-56.3179.2000108.1M536 V557 A558 G560M536-I594 HydrophobicContact CE-CD1 4.27Å; V557-I594 HydrophobicContact CB-CD1 4.39Å; V557-I594 HydrophobicContact CB-CG2 4.47Å; V557-I594 HydrophobicContact CG2-CD1 4.13Å; V557-I594 HydrophobicContact CG2-CG1 4.1Å; V557-I594 HydrophobicContact CG2-CG2 3.87Å; A558-I594 WeakPolarHBondContact O-CG2 3.21Å; G560-I594 WeakPolarHBondContact O-CA 3.5Å
595G93Very high92.7Very high18 Ų18104.5 Ų104.519%0.18654%0.538CS..PPolyproline II helixtrans-68.6170.4176.300000112.6G559 G560 S597G559-G595 WeakPolarHBondContact O-CA 3.38Å; G560-G595 PolarHBondContact O-N 3.03Å; G595-S597 PolarHBondContact O-N 2.86Å
596K91.6Very high92.7Very high199 Ų199100 Ų10087%0.86552%0.522SS*.PPolyproline II helixtrans-78.9117.4177.8-171.6178-179.3-179.90110.7K598K596-K598 PolarHBondContact O-N 3.27Å
597S91.4Very high92.6Very high42 Ų4299.6 Ų99.629%0.29452%0.522SS..PPolyproline II helixtrans-58.5137.3172-176.50000111.4G595 H599G595-S597 PolarHBondContact O-N 2.86Å; S597-H599 PolarHBondContact OG-N 2.88Å; S597-H599 PolarHBondContact OG-O 3.23Å
598K85.2Confident92.6Very high197 Ų197103.3 Ų103.386%0.85754%0.539SS*.SBendtrans-90.1-12.3173-63.8-179.9-176.7173.90112.8K596K596-K598 PolarHBondContact O-N 3.27Å
599H86.1Confident92.5Very high99 Ų9997.6 Ų97.646%0.45851%0.506SS..  trans-121.2139.4-173.9-62.1-78.7000110.6G487 S597 F601G487-H599 PolarHBondContact O-CD2 3.24Å; S597-H599 PolarHBondContact OG-N 2.88Å; S597-H599 PolarHBondContact OG-O 3.23Å; H599-F601 HydrophobicContact CB-CD2 4.26Å; H599-F601 HydrophobicContact CB-CE1 4.45Å; H599-F601 HydrophobicContact CB-CE2 3.61Å; H599-F601 HydrophobicContact CB-CZ 3.73Å
600D85.8Confident92.4Very high147 Ų14798.1 Ų98.179%0.78649%0.49SS*.  trans-108.8110.8170.9-165.412000108.1
601F90.1Very high92.3Very high44 Ų44103.1 Ų103.119%0.19352%0.516CS..  trans-99.9142.3-179.4-64.2-75.3000109.8V486 W511 H599V486-F601 WeakPolarHBondContact O-CE2 3.27Å; W511-F601 HydrophobicContact CD2-CB 4.24Å; W511-F601 HydrophobicContact CG-CD2 4.49Å; W511-F601 HydrophobicContact CZ2-CB 3.98Å; W511-F601 WeakPolarHBondContact CZ2-O 3.48Å; W511-F601 PolarHBondContact NE1-O 3.47Å; H599-F601 HydrophobicContact CB-CD2 4.26Å; H599-F601 HydrophobicContact CB-CE1 4.45Å; H599-F601 HydrophobicContact CB-CE2 3.61Å; H599-F601 HydrophobicContact CB-CZ 3.73Å
602M87Confident92.2Very high165 Ų16599.2 Ų99.281%0.81350%0.502SS*.  trans-99-25.3177.7-61.8-61.4-69.700113
603E89.8Confident92Very high151 Ų15198.5 Ų98.571%0.70651%0.506SS*.SBendtrans-138.7152.2-169.4-63.1-175.7177.200113W511 R533W511-E603 VanDerWaalsContact CH2-C 3.48Å; R533-E603 PolarHBondContact NE-O 3.24Å; R533-E603 PolarHBondContact NH2-O 3.26Å
604A91.8Very high91.9Very high47 Ų4798 Ų9839%0.38850%0.5SS..  trans-70.7142.2169.400000110.7W511 W532 R533W511-A604 HydrophobicContact CZ3-CB 4.43Å; W532-A604 HydrophobicContact CE3-CB 4.4Å; R533-A604 VanDerWaalsContact O-CA 3.3Å; R533-A604 WeakPolarHBondContact O-CA 3.26Å; R533-A604 VanDerWaalsContact O-CB 3.22Å; R533-A604 WeakPolarHBondContact O-CB 3.06Å
605Q92.7Very high91.9Very high114 Ų114100.5 Ų100.553%0.53351%0.505SS..EExtended strand (participates in β ladder)trans-144.3136.3179.2-167.3166.6-4.600110.5L485 W532 R533L485-Q605 WeakPolarHBondContact CD2-O 3.46Å; W532-Q605 WeakPolarHBondContact CA-O 3.41Å; R533-Q605 PolarHBondContact N-O 3.03Å; R533-Q605 VanDerWaalsContact NH2-OE1 3.1Å
606G95Very high91.9Very high31 Ų3199.7 Ų99.732%0.3250%0.496SS..EExtended strand (participates in β ladder)trans-105149.3-178.900000112.5G531G531-G606 CarbonylContact O-C 3.58Å; G531-G606 VanDerWaalsContact O-CA 3.28Å; G531-G606 WeakPolarHBondContact O-CA 3.1Å
607V95.7Very high92Very high70 Ų7095.8 Ų95.842%0.42448%0.476SS..  trans-131.3152.3172.9-60.70000110.4I481 L485 G531 Q609I481-V607 HydrophobicContact CG2-CG2 3.49Å; I481-V607 VanDerWaalsContact CG2-CG2 3.49Å; L485-V607 HydrophobicContact CD1-CG2 4.05Å; L485-V607 HydrophobicContact CD2-CB 4.46Å; L485-V607 HydrophobicContact CD2-CG1 3.92Å; L485-V607 HydrophobicContact CD2-CG2 3.87Å; L485-V607 HydrophobicContact CG-CG2 4.05Å; G531-V607 PolarHBondContact O-N 2.81Å; V607-Q609 PolarHBondContact O-N 3.14Å
608K95.5Very high91.9Very high206 Ų20693.8 Ų93.890%0.89646%0.462SS*.PPolyproline II helixtrans-71.7127175-63.8-177.2-178-176.90109.4
609Q95.1Very high92Very high48 Ų4887.5 Ų87.522%0.22444%0.438CS..PPolyproline II helixtrans-82.9157.1170.7-67.4-179.1-109.600111T530 V607T530-Q609 VanDerWaalsContact C-OE1 3.27Å; T530-Q609 PolarHBondContact OG1-OE1 3.3Å; V607-Q609 PolarHBondContact O-N 3.14Å
610L93.6Very high91.9Very high87 Ų8786.4 Ų86.446%0.45544%0.439SS..PPolyproline II helixtrans-72138.6172.3-60.3-178.2000110.3P477 Y709P477-L610 HydrophobicContact CB-CD1 3.73Å; P477-L610 HydrophobicContact CG-CD1 4.08Å; L610-Y709 HydrophobicContact CB-CE2 3.83Å; L610-Y709 HydrophobicContact CD1-CE2 4.36Å
611L94.1Very high91.9Very high150 Ų15079.9 Ų79.979%0.78541%0.407SS*.PPolyproline II helixtrans-72.9147.8173.5-68.9171.5000110.4Y709 H710L611-Y709 WeakPolarHBondContact O-CE2 3.49Å; L611-Y709 PolarHBondContact O-OH 3.48Å; L611-H710 PolarHBondContact O-CE1 3.04Å
612W94.8Very high91.4Very high91 Ų9181.6 Ų81.635%0.34542%0.422SS..PPolyproline II helixtrans-103.3154.7171.1-45.1-80.3000111.6D475 G516 Y709 H710 Q713D475-W612 PolarHBondContact OD2-NE1 3.45Å; G516-W612 VanDerWaalsContact C-CH2 3.49Å; G516-W612 WeakPolarHBondContact O-CH2 3.47Å; W612-Y709 AromaticContact CD1-CD2 3.43Å; W612-Y709 VanDerWaalsContact CD1-CD2 3.43Å; W612-Y709 AromaticContact CD1-CE2 3.4Å; W612-Y709 VanDerWaalsContact CD1-CE2 3.4Å; W612-Y709 HydrophobicContact CG-CE2 4.36Å; W612-Y709 AromaticContact NE1-CD2 3.68Å; W612-Y709 AromaticContact NE1-CE2 3.84Å; W612-H710 WeakPolarHBondContact CA-ND1 3.43Å; W612-Q713 HydrophobicContact CB-CB 4.22Å; W612-Q713 VanDerWaalsContact CD1-CG 3.42Å; W612-Q713 HydrophobicContact CD2-CB 4.16Å; W612-Q713 HydrophobicContact CD2-CG 3.78Å; W612-Q713 HydrophobicContact CG-CB 3.87Å; W612-Q713 HydrophobicContact CG-CG 3.7Å; W612-Q713 HydrophobicContact CZ2-CG 4.36Å
613G92.8Very high91.6Very high33 Ų3374.1 Ų74.134%0.3439%0.386SS..  trans-152.1172.5176.300000111.3H710G613-H710 PolarHBondContact N-ND1 3.33Å; G613-H710 VanDerWaalsContact N-ND1 3.19Å
614N94.5Very high91.6Very high59 Ų5969.3 Ų69.332%0.31636%0.361SS..SBendtrans-97.27.9178.563.99.9000113.6P719 H721N614-P719 VanDerWaalsContact CB-O 3.28Å; N614-P719 WeakPolarHBondContact CB-O 3.23Å; N614-H721 PolarHBondContact O-N 2.98Å
615R94.2Very high91.4Very high113 Ų11373.5 Ų73.543%0.42637%0.373SS..EExtended strand (participates in β ladder)trans-103.2113.5-178.7-55.1-162.469.693.424.6109H721 R723R615-H721 WeakPolarHBondContact CA-O 3.45Å; R615-R723 VanDerWaalsContact CZ-CZ 3.42Å; R615-R723 VanDerWaalsContact NE-CZ 3.26Å; R615-R723 VanDerWaalsContact NE-NE 3.16Å; R615-R723 VanDerWaalsContact NE-NH2 3.2Å
616I94.5Very high91.3Very high0 Ų068.4 Ų68.40%035%0.349CS..EExtended strand (participates in β ladder)trans-119.6121.3-169.5-52.6-60.4000109.3I703 D707 H710 L711 I720 H721 F722 R723I616-I703 HydrophobicContact CG2-CB 4.23Å; I616-I703 HydrophobicContact CG2-CD1 3.99Å; I616-I703 HydrophobicContact CG2-CG1 3.88Å; I616-I703 HydrophobicContact CG2-CG2 3.38Å; I616-D707 HydrophobicContact CG2-CB 4.1Å; I616-H710 HydrophobicContact CD1-CB 3.34Å; I616-L711 HydrophobicContact CD1-CD2 4.32Å; I616-L711 HydrophobicContact CG1-CD2 4.15Å; I616-I720 HydrophobicContact CB-CG2 4.41Å; I616-I720 HydrophobicContact CG1-CG2 3.69Å; I616-H721 PolarHBondContact N-O 3.19Å; I616-F722 HydrophobicContact CB-CD1 4.12Å; I616-F722 HydrophobicContact CB-CE1 4.28Å; I616-F722 HydrophobicContact CG2-CD1 4.31Å; I616-F722 HydrophobicContact CG2-CE1 4.25Å; I616-F722 CarbonylContact O-C 3.32Å; I616-F722 VanDerWaalsContact O-CA 3.28Å; I616-F722 WeakPolarHBondContact O-CA 3.26Å; I616-R723 PolarHBondContact O-N 3.21Å
617R92Very high91.2Very high117 Ų11767.1 Ų67.144%0.44234%0.335SS..EExtended strand (participates in β ladder)trans-75.7131.5173.7-66.1172-71.6175.10.4109.6I704 D707 R723R617-I704 HydrophobicContact CB-CD1 3.72Å; R617-I704 HydrophobicContact CB-CG1 4.05Å; R617-I704 PolarHBondContact O-N 3.08Å; R617-D707 VanDerWaalsContact CB-OD2 3.22Å; R617-D707 WeakPolarHBondContact CB-OD2 3.46Å; R617-D707 WeakPolarHBondContact CG-OD2 3.27Å; R617-D707 IonicContact CZ-OD1 2.86Å; R617-D707 IonicContact CZ-OD2 2.75Å; R617-D707 PolarHBondContact N-OD2 3.27Å; R617-D707 IonicContact NE-OD1 3.54Å; R617-D707 PolarHBondContact NE-OD1 2.92Å; R617-D707 IonicContact NE-OD2 3.8Å; R617-D707 PolarHBondContact NE-OD2 3.05Å; R617-D707 IonicContact NH2-OD1 2.75Å; R617-D707 PolarHBondContact NH2-OD1 2.86Å; R617-D707 IonicContact NH2-OD2 2.83Å; R617-R723 WeakPolarHBondContact CA-O 3.41Å
618A90Very high91Very high0 Ų066.2 Ų66.20%033%0.327CS..EExtended strand (participates in β ladder)trans-134.6147.9175.100000110.6W636 A701 C702 I703 F722 R723 G725A618-W636 HydrophobicContact CB-CH2 4.32Å; A618-W636 HydrophobicContact CB-CZ3 4.11Å; A618-A701 HydrophobicContact CB-CB 4.15Å; A618-C702 CarbonylContact C-O 3.43Å; A618-C702 WeakPolarHBondContact CA-O 3.15Å; A618-I703 HydrophobicContact CB-CG1 4.15Å; A618-F722 HydrophobicContact CB-CD1 4.23Å; A618-R723 PolarHBondContact N-O 3.25Å; A618-G725 PolarHBondContact O-N 3.39Å
619L86.3Confident90.7Very high66 Ų6666 Ų6635%0.34632%0.321SS..EExtended strand (participates in β ladder)trans-89.9142.4171.2-61.1178.7000109.3G621 A701 C702 I704 C726L619-G621 PolarHBondContact O-N 2.87Å; L619-A701 CarbonylContact O-C 3.59Å; L619-A701 WeakPolarHBondContact O-CA 3.43Å; L619-A701 WeakPolarHBondContact O-CB 3.39Å; L619-C702 PolarHBondContact N-O 3.2Å; L619-C702 PolarHBondContact O-N 3.09Å; L619-I704 HydrophobicContact CD1-CG2 4.36Å; L619-I704 HydrophobicContact CG-CG2 4.01Å; L619-C726 HydrophobicContact CD2-CB 3.44Å; L619-C726 VanDerWaalsContact CD2-CB 3.44Å; L619-C726 VanDerWaalsContact CD2-SG 3.58Å
620P85.1Confident90.5Very high75 Ų7566.4 Ų66.449%0.48733%0.332SS..EExtended strand (participates in β ladder)trans-53.7135167.6-22.833.2000110.8Y624 W636P620-Y624 HydrophobicContact CB-CD1 4.24Å; P620-Y624 HydrophobicContact CB-CD2 4.13Å; P620-Y624 HydrophobicContact CB-CG 3.89Å; P620-W636 HydrophobicContact CG-CZ2 4.17Å
621G86.1Confident90.5Very high11 Ų1162.3 Ų62.311%0.11331%0.311CS..PPolyproline II helixtrans-87.1171.6-179.400000112.4L619 E623 Y624 R699 I700L619-G621 PolarHBondContact O-N 2.87Å; G621-E623 VanDerWaalsContact C-N 3.26Å; G621-E623 PolarHBondContact O-N 2.95Å; G621-Y624 WeakPolarHBondContact O-CB 3.46Å; G621-Y624 PolarHBondContact O-N 3.12Å; G621-R699 CarbonylContact C-O 3.54Å; G621-R699 WeakPolarHBondContact CA-O 3.38Å; G621-I700 PolarHBondContact N-O 2.99Å
622P79.1Confident90.4Very high79 Ų7957.3 Ų57.351%0.51328%0.283SS..THydrogen-bonded Turntrans-57.4-37.1-177.4-24.934.3000113.4H625P622-H625 PolarHBondContact O-CE1 3.29Å; P622-H625 PolarHBondContact O-ND1 3.13Å; P622-H625 VanDerWaalsContact O-ND1 3.1Å
623E91.1Very high90.1Very high9 Ų955.6 Ų55.64%0.04228%0.281CS..THydrogen-bonded Turntrans-93.111.1180-7077-144.100113.6G621 H625 E626 F627 R664 L666 P698 R699G621-E623 VanDerWaalsContact C-N 3.26Å; G621-E623 PolarHBondContact O-N 2.95Å; E623-H625 PolarHBondContact O-N 2.7Å; E623-E626 HydrophobicContact CB-CG 4.37Å; E623-E626 WeakPolarHBondContact O-CB 3.28Å; E623-E626 PolarHBondContact O-N 2.94Å; E623-F627 HydrophobicContact CB-CE2 4.48Å; E623-F627 VanDerWaalsContact O-CD2 3.25Å; E623-F627 WeakPolarHBondContact O-CD2 3.28Å; E623-F627 WeakPolarHBondContact O-CE2 3.39Å; E623-R664 IonicContact OE1-NH2 3.46Å; E623-L666 HydrophobicContact CG-CD2 3.88Å; E623-P698 HydrophobicContact CB-CB 3.9Å; E623-P698 HydrophobicContact CG-CB 4.01Å; E623-R699 PolarHBondContact N-O 3.15Å; E623-R699 IonicContact OE1-CZ 3.72Å; E623-R699 IonicContact OE1-NE 2.65Å; E623-R699 IonicContact OE1-NH2 2.91Å; E623-R699 PolarHBondContact OE1-NH2 3.33Å; E623-R699 WeakPolarHBondContact OE2-CB 3.36Å; E623-R699 IonicContact OE2-CZ 3.77Å; E623-R699 PolarHBondContact OE2-N 2.9Å; E623-R699 IonicContact OE2-NE 3.82Å; E623-R699 PolarHBondContact OE2-NE 2.99Å; E623-R699 IonicContact OE2-NH2 2.97Å; E623-R699 PolarHBondContact OE2-NH2 3.16Å
624Y90.7Very high90.1Very high49 Ų4954.2 Ų54.219%0.19227%0.266CS..G310 helixtrans-54.3-39.9-177.8177.9-96.2000113.3P620 G621 E626 F627 Q632 W636 I700P620-Y624 HydrophobicContact CB-CD1 4.24Å; P620-Y624 HydrophobicContact CB-CD2 4.13Å; P620-Y624 HydrophobicContact CB-CG 3.89Å; G621-Y624 WeakPolarHBondContact O-CB 3.46Å; G621-Y624 PolarHBondContact O-N 3.12Å; Y624-E626 PolarHBondContact O-N 2.84Å; Y624-F627 PolarHBondContact O-N 3.08Å; Y624-Q632 HydrophobicContact CD1-CG 4.44Å; Y624-Q632 HydrophobicContact CE1-CB 4.43Å; Y624-Q632 VanDerWaalsContact CE1-CD 3.47Å; Y624-Q632 HydrophobicContact CE1-CG 3.85Å; Y624-Q632 HydrophobicContact CE2-CB 4.2Å; Y624-Q632 HydrophobicContact CE2-CG 3.94Å; Y624-Q632 PolarHBondContact O-NE2 2.94Å; Y624-Q632 WeakPolarHBondContact OH-CB 3.25Å; Y624-Q632 PolarHBondContact OH-OE1 3.09Å; Y624-W636 HydrophobicContact CD2-CZ2 4.48Å; Y624-W636 AromaticContact CE2-CE2 3.9Å; Y624-W636 AromaticContact CE2-CZ2 3.86Å; Y624-W636 HydrophobicContact CE2-CZ2 3.86Å; Y624-W636 AromaticContact CE2-NE1 3.41Å; Y624-W636 AromaticContact CZ-NE1 3.53Å; Y624-W636 PolarHBondContact OH-NE1 3.3Å; Y624-I700 HydrophobicContact CD2-CG1 3.96Å; Y624-I700 WeakPolarHBondContact CD2-O 3.46Å
625H86Confident90.1Very high135 Ų13551.4 Ų51.463%0.62525%0.251SS*.G310 helixtrans-70.7-12.818062.5-85.6000113.7P622 E623 F627P622-H625 PolarHBondContact O-CE1 3.29Å; P622-H625 PolarHBondContact O-ND1 3.13Å; P622-H625 VanDerWaalsContact O-ND1 3.1Å; E623-H625 PolarHBondContact O-N 2.7Å; H625-F627 VanDerWaalsContact C-N 3.28Å
626E91.1Very high90Very high8 Ų848.4 Ų48.44%0.03724%0.24CC..G310 helixtrans-84.6-0.6175.4-55-169.9-174.500112.8E623 Y624 R660 T661 T662 R664E623-E626 HydrophobicContact CB-CG 4.37Å; E623-E626 WeakPolarHBondContact O-CB 3.28Å; E623-E626 PolarHBondContact O-N 2.94Å; Y624-E626 PolarHBondContact O-N 2.84Å; E626-R660 HydrophobicContact CB-CG 4.01Å; E626-R660 CarbonylContact O-C 3.59Å; E626-R660 WeakPolarHBondContact O-CA 3.28Å; E626-R660 VanDerWaalsContact O-CG 3.25Å; E626-R660 WeakPolarHBondContact O-CG 3.44Å; E626-R660 IonicContact OE2-CZ 3.48Å; E626-R660 VanDerWaalsContact OE2-CZ 3.24Å; E626-R660 IonicContact OE2-NE 3.25Å; E626-R660 PolarHBondContact OE2-NE 3.2Å; E626-R660 IonicContact OE2-NH2 3.42Å; E626-R660 PolarHBondContact OE2-NH2 2.93Å; E626-T661 PolarHBondContact O-N 3.29Å; E626-T661 PolarHBondContact O-OG1 2.78Å; E626-T662 HydrophobicContact CB-CG2 4.2Å; E626-T662 HydrophobicContact CG-CG2 4.17Å; E626-T662 PolarHBondContact OE2-OG1 3.36Å; E626-R664 IonicContact OE1-CZ 2.92Å; E626-R664 IonicContact OE1-NE 2.77Å; E626-R664 PolarHBondContact OE1-NE 2.97Å; E626-R664 IonicContact OE1-NH2 3.72Å; E626-R664 PolarHBondContact OE1-NH2 3.48Å; E626-R664 IonicContact OE2-NE 3.53Å; E626-R664 IonicContact OE2-NH2 3.79Å
627F92.8Very high89.8Confident4 Ų457.3 Ų57.32%0.01827%0.274CS..BIsolated β-bridgetrans-99.3142.8173.1-64.3-88.2000109.9E623 Y624 H625 Q632 L658 K659 R660 V678 P698 I700E623-F627 HydrophobicContact CB-CE2 4.48Å; E623-F627 VanDerWaalsContact O-CD2 3.25Å; E623-F627 WeakPolarHBondContact O-CD2 3.28Å; E623-F627 WeakPolarHBondContact O-CE2 3.39Å; Y624-F627 PolarHBondContact O-N 3.08Å; H625-F627 VanDerWaalsContact C-N 3.28Å; F627-Q632 HydrophobicContact CB-CG 4.22Å; F627-Q632 PolarHBondContact O-NE2 3.06Å; F627-L658 HydrophobicContact CD1-CB 4.14Å; F627-L658 HydrophobicContact CE1-CB 4.3Å; F627-K659 WeakPolarHBondContact CA-O 3.39Å; F627-R660 HydrophobicContact CD1-CB 4.29Å; F627-R660 HydrophobicContact CE1-CB 4.13Å; F627-R660 HydrophobicContact CE1-CG 4.5Å; F627-V678 HydrophobicContact CE1-CB 3.96Å; F627-V678 HydrophobicContact CE1-CG1 3.86Å; F627-V678 HydrophobicContact CE1-CG2 4.2Å; F627-V678 HydrophobicContact CZ-CB 3.8Å; F627-V678 HydrophobicContact CZ-CG1 4.24Å; F627-V678 HydrophobicContact CZ-CG2 3.96Å; F627-P698 HydrophobicContact CE2-CB 4.48Å; F627-P698 HydrophobicContact CZ-CB 4.19Å; F627-P698 HydrophobicContact CZ-CG 4.17Å; F627-I700 HydrophobicContact CB-CD1 4.43Å; F627-I700 HydrophobicContact CD1-CD1 4.24Å; F627-I700 HydrophobicContact CD2-CB 4.19Å; F627-I700 HydrophobicContact CD2-CD1 3.86Å; F627-I700 HydrophobicContact CD2-CG1 3.78Å; F627-I700 HydrophobicContact CE2-CB 3.76Å; F627-I700 HydrophobicContact CE2-CD1 4.18Å; F627-I700 HydrophobicContact CE2-CG1 3.9Å; F627-I700 HydrophobicContact CG-CD1 3.9Å; F627-I700 HydrophobicContact CG-CG1 4.33Å; F627-I700 HydrophobicContact CZ-CB 4.19Å
628D92.8Very high89.7Confident50 Ų5053.2 Ų53.227%0.26726%0.263SS..  trans-62.8161.1177.374.79.4000111.4A630 S631 Q632 K659 T661D628-A630 PolarHBondContact O-N 3.37Å; D628-A630 PolarHBondContact OD1-N 3.03Å; D628-S631 WeakPolarHBondContact O-CB 3.38Å; D628-S631 PolarHBondContact O-N 2.66Å; D628-S631 WeakPolarHBondContact OD1-CB 3.49Å; D628-S631 PolarHBondContact OD1-N 3.28Å; D628-S631 PolarHBondContact OD1-OG 2.98Å; D628-Q632 WeakPolarHBondContact O-CG 3.32Å; D628-Q632 PolarHBondContact O-N 3.33Å; D628-K659 PolarHBondContact N-O 3.4Å; D628-T661 HydrophobicContact CB-CG2 3.93Å
629R87.6Confident89.9Confident203 Ų20356.7 Ų56.777%0.76629%0.285SS*.Hα-helixtrans-58.3-35.3-176.3-171.1174-177.1171.53.7112.5Q632 D633R629-Q632 PolarHBondContact O-N 3.47Å; R629-D633 WeakPolarHBondContact O-CB 3.46Å; R629-D633 PolarHBondContact O-N 3.26Å
630A91.6Very high90.4Very high55 Ų5553.5 Ų53.546%0.45527%0.269SS..Hα-helixtrans-65.7-39.4177.800000111.9D628 A634D628-A630 PolarHBondContact O-N 3.37Å; D628-A630 PolarHBondContact OD1-N 3.03Å; A630-A634 WeakPolarHBondContact O-CB 3.04Å; A630-A634 PolarHBondContact O-N 3.44Å
631S94.1Very high91Very high2 Ų254.5 Ų54.51%0.01427%0.267CS..Hα-helixtrans-71.4-40.7177.6-59.50000111.6D628 A634 F635 L658 K659D628-S631 WeakPolarHBondContact O-CB 3.38Å; D628-S631 PolarHBondContact O-N 2.66Å; D628-S631 WeakPolarHBondContact OD1-CB 3.49Å; D628-S631 PolarHBondContact OD1-N 3.28Å; D628-S631 PolarHBondContact OD1-OG 2.98Å; S631-A634 PolarHBondContact O-N 3.35Å; S631-F635 PolarHBondContact O-N 2.85Å; S631-L658 WeakPolarHBondContact O-CD2 3.43Å; S631-K659 PolarHBondContact OG-N 2.95Å
632Q91.6Very high91.5Very high44 Ų4454 Ų5421%0.20626%0.262CS..Hα-helixtrans-58.4-51.8171.6-72.9-177.820.700111.3Y624 F627 D628 R629 A634 F635Y624-Q632 HydrophobicContact CD1-CG 4.44Å; Y624-Q632 HydrophobicContact CE1-CB 4.43Å; Y624-Q632 VanDerWaalsContact CE1-CD 3.47Å; Y624-Q632 HydrophobicContact CE1-CG 3.85Å; Y624-Q632 HydrophobicContact CE2-CB 4.2Å; Y624-Q632 HydrophobicContact CE2-CG 3.94Å; Y624-Q632 PolarHBondContact O-NE2 2.94Å; Y624-Q632 WeakPolarHBondContact OH-CB 3.25Å; Y624-Q632 PolarHBondContact OH-OE1 3.09Å; F627-Q632 HydrophobicContact CB-CG 4.22Å; F627-Q632 PolarHBondContact O-NE2 3.06Å; D628-Q632 WeakPolarHBondContact O-CG 3.32Å; D628-Q632 PolarHBondContact O-N 3.33Å; R629-Q632 PolarHBondContact O-N 3.47Å; Q632-A634 VanDerWaalsContact C-N 3.35Å; Q632-A634 PolarHBondContact O-N 3.42Å; Q632-F635 PolarHBondContact O-N 2.97Å
633D88.4Confident92.1Very high55 Ų5550.7 Ų50.729%0.29424%0.24SC..Hα-helixtrans-62.2-41.2176.7-86-44.1000111.8R629 F635 W636 R637R629-D633 WeakPolarHBondContact O-CB 3.46Å; R629-D633 PolarHBondContact O-N 3.26Å; D633-F635 VanDerWaalsContact C-N 3.34Å; D633-F635 PolarHBondContact O-N 3.03Å; D633-W636 PolarHBondContact O-N 2.63Å; D633-R637 VanDerWaalsContact O-CB 3.27Å; D633-R637 WeakPolarHBondContact O-CB 3.47Å; D633-R637 VanDerWaalsContact O-CG 3.29Å; D633-R637 WeakPolarHBondContact O-CG 3.3Å; D633-R637 PolarHBondContact O-N 3.36Å; D633-R637 IonicContact OD1-CZ 3.98Å; D633-R637 IonicContact OD1-NE 2.7Å; D633-R637 PolarHBondContact OD1-NE 3.49Å; D633-R637 IonicContact OD1-NH2 2.84Å; D633-R637 PolarHBondContact OD1-NH2 2.99Å; D633-R637 VanDerWaalsContact OD1-NH2 3.16Å
634A92.8Very high92.1Very high4 Ų454.8 Ų54.83%0.03327%0.268CS..Hα-helixtrans-60.6-41.917800000112.2A630 S631 Q632 W636 R637 S638 Q656 L658A630-A634 WeakPolarHBondContact O-CB 3.04Å; A630-A634 PolarHBondContact O-N 3.44Å; S631-A634 PolarHBondContact O-N 3.35Å; Q632-A634 VanDerWaalsContact C-N 3.35Å; Q632-A634 PolarHBondContact O-N 3.42Å; A634-W636 VanDerWaalsContact C-N 3.27Å; A634-W636 PolarHBondContact O-N 2.9Å; A634-R637 PolarHBondContact O-N 2.85Å; A634-S638 WeakPolarHBondContact O-CB 3.36Å; A634-S638 PolarHBondContact O-N 3.32Å; A634-S638 PolarHBondContact O-OG 3.19Å; A634-Q656 HydrophobicContact CB-CB 4.4Å; A634-Q656 HydrophobicContact CB-CG 4.33Å; A634-L658 HydrophobicContact CB-CD2 4.23Å
635F95Very high91.9Very high0 Ų059.1 Ų59.10%029%0.29CS..Hα-helixtrans-56.4-41.8178.4-173.2-103000112.5S631 Q632 D633 W640 L658 V676 I700 A701 F722S631-F635 PolarHBondContact O-N 2.85Å; Q632-F635 PolarHBondContact O-N 2.97Å; D633-F635 VanDerWaalsContact C-N 3.34Å; D633-F635 PolarHBondContact O-N 3.03Å; F635-W640 HydrophobicContact CD2-CZ2 4.15Å; F635-W640 PolarHBondContact O-NE1 3.26Å; F635-L658 HydrophobicContact CD2-CD1 4.29Å; F635-V676 HydrophobicContact CE2-CG1 3.97Å; F635-V676 HydrophobicContact CZ-CB 4.49Å; F635-V676 HydrophobicContact CZ-CG1 4.22Å; F635-V676 HydrophobicContact CZ-CG2 4.38Å; F635-I700 HydrophobicContact CB-CD1 4.13Å; F635-I700 HydrophobicContact CD2-CD1 4.21Å; F635-I700 HydrophobicContact CD2-CG2 4.12Å; F635-I700 HydrophobicContact CE2-CG2 3.86Å; F635-I700 HydrophobicContact CG-CD1 4.11Å; F635-I700 HydrophobicContact CZ-CG2 4.2Å; F635-A701 HydrophobicContact CD1-CB 4.43Å; F635-A701 HydrophobicContact CE1-CB 3.41Å; F635-A701 VanDerWaalsContact CE1-CB 3.41Å; F635-A701 HydrophobicContact CZ-CB 3.51Å; F635-F722 HydrophobicContact CD1-CB 4.44Å; F635-F722 HydrophobicContact CD2-CD2 4.18Å; F635-F722 HydrophobicContact CE1-CB 3.96Å; F635-F722 HydrophobicContact CE1-CD2 4.03Å; F635-F722 AromaticContact CE1-CG 3.95Å; F635-F722 HydrophobicContact CE1-CG 3.95Å; F635-F722 AromaticContact CE2-CD2 3.54Å; F635-F722 HydrophobicContact CE2-CD2 3.54Å; F635-F722 AromaticContact CE2-CE2 3.68Å; F635-F722 HydrophobicContact CE2-CE2 3.68Å; F635-F722 HydrophobicContact CE2-CG 4.25Å; F635-F722 HydrophobicContact CE2-CZ 4.49Å; F635-F722 HydrophobicContact CZ-CB 4.22Å; F635-F722 HydrophobicContact CZ-CD1 4.21Å; F635-F722 AromaticContact CZ-CD2 3.44Å; F635-F722 HydrophobicContact CZ-CD2 3.44Å; F635-F722 VanDerWaalsContact CZ-CD2 3.44Å; F635-F722 AromaticContact CZ-CE2 3.79Å; F635-F722 HydrophobicContact CZ-CE2 3.79Å; F635-F722 AromaticContact CZ-CG 3.68Å; F635-F722 HydrophobicContact CZ-CG 3.68Å; F635-F722 HydrophobicContact CZ-CZ 4.32Å
636W92.2Very high92.2Very high50 Ų5053.6 Ų53.619%0.18927%0.266CS..Hα-helixtrans-86.9-31.5-178-56.1118.6000114.8A618 P620 Y624 D633 A634 F722 R723 G724A618-W636 HydrophobicContact CB-CH2 4.32Å; A618-W636 HydrophobicContact CB-CZ3 4.11Å; P620-W636 HydrophobicContact CG-CZ2 4.17Å; Y624-W636 HydrophobicContact CD2-CZ2 4.48Å; Y624-W636 AromaticContact CE2-CE2 3.9Å; Y624-W636 AromaticContact CE2-CZ2 3.86Å; Y624-W636 HydrophobicContact CE2-CZ2 3.86Å; Y624-W636 AromaticContact CE2-NE1 3.41Å; Y624-W636 AromaticContact CZ-NE1 3.53Å; Y624-W636 PolarHBondContact OH-NE1 3.3Å; D633-W636 PolarHBondContact O-N 2.63Å; A634-W636 VanDerWaalsContact C-N 3.27Å; A634-W636 PolarHBondContact O-N 2.9Å; W636-F722 HydrophobicContact CE3-CB 4.04Å; W636-F722 HydrophobicContact CZ3-CB 4.19Å; W636-F722 VanDerWaalsContact O-O 3.1Å; W636-R723 VanDerWaalsContact CZ3-C 3.48Å; W636-G724 VanDerWaalsContact CE3-N 3.33Å
637R88.7Confident92.2Very high188 Ų18856.9 Ų56.971%0.70928%0.284SS*.Hα-helixtrans-98.3-30-170.8-62.4179.4-170.3-152.24.4112.9D633 A634D633-R637 VanDerWaalsContact O-CB 3.27Å; D633-R637 WeakPolarHBondContact O-CB 3.47Å; D633-R637 VanDerWaalsContact O-CG 3.29Å; D633-R637 WeakPolarHBondContact O-CG 3.3Å; D633-R637 PolarHBondContact O-N 3.36Å; D633-R637 IonicContact OD1-CZ 3.98Å; D633-R637 IonicContact OD1-NE 2.7Å; D633-R637 PolarHBondContact OD1-NE 3.49Å; D633-R637 IonicContact OD1-NH2 2.84Å; D633-R637 PolarHBondContact OD1-NH2 2.99Å; D633-R637 VanDerWaalsContact OD1-NH2 3.16Å; A634-R637 PolarHBondContact O-N 2.85Å
638S90.1Very high92.3Very high30 Ų3058.8 Ų58.821%0.2129%0.291CS..SBendtrans-87.7147.2-174.8-58.40000112.2A634A634-S638 WeakPolarHBondContact O-CB 3.36Å; A634-S638 PolarHBondContact O-N 3.32Å; A634-S638 PolarHBondContact O-OG 3.19Å
639P94.6Very high92.2Very high73 Ų7359.2 Ų59.247%0.47429%0.292SS..  trans-72.1144.2166.629.4-31.8000110.9P719P639-P719 HydrophobicContact CB-CB 3.98Å
640W97.4Very high92.5Very high0 Ų049.9 Ų49.90%026%0.259CS..EExtended strand (participates in β ladder)trans-115.8117.1176.4-66.294.4000110.3F635 L653 Q656 L658 P684 P719 I720 F722F635-W640 HydrophobicContact CD2-CZ2 4.15Å; F635-W640 PolarHBondContact O-NE1 3.26Å; W640-L653 HydrophobicContact CB-CB 4.18Å; W640-L653 HydrophobicContact CB-CD1 3.91Å; W640-L653 HydrophobicContact CE3-CB 4.17Å; W640-L653 HydrophobicContact CG-CD1 4.26Å; W640-Q656 VanDerWaalsContact CH2-O 3.23Å; W640-Q656 WeakPolarHBondContact CH2-O 3.46Å; W640-Q656 WeakPolarHBondContact CZ3-O 3.38Å; W640-L658 HydrophobicContact CH2-CD1 3.94Å; W640-L658 HydrophobicContact CH2-CD2 3.74Å; W640-L658 HydrophobicContact CH2-CG 3.77Å; W640-L658 HydrophobicContact CZ2-CD1 4.25Å; W640-L658 HydrophobicContact CZ2-CD2 3.98Å; W640-L658 HydrophobicContact CZ2-CG 4.35Å; W640-P684 HydrophobicContact CD2-CG 4.42Å; W640-P684 HydrophobicContact CE3-CG 3.93Å; W640-P684 HydrophobicContact CH2-CG 3.79Å; W640-P684 HydrophobicContact CZ2-CG 4.3Å; W640-P684 HydrophobicContact CZ3-CG 3.59Å; W640-P719 CarbonylContact O-C 3.5Å; W640-P719 WeakPolarHBondContact O-CA 3.44Å; W640-I720 HydrophobicContact CB-CB 4.47Å; W640-I720 PolarHBondContact N-O 2.98Å; W640-I720 PolarHBondContact O-N 3.1Å; W640-F722 AromaticContact CD1-CD2 3.53Å; W640-F722 AromaticContact CD1-CE2 3.72Å; W640-F722 HydrophobicContact CG-CD2 4.35Å; W640-F722 HydrophobicContact CG-CE2 4.11Å; W640-F722 AromaticContact NE1-CD2 3.81Å
641Q97.3Very high92.8Very high95 Ų9547.5 Ų47.544%0.44424%0.238SC..EExtended strand (participates in β ladder)trans-81.1131.9-177.6-169.6175.828.300111.4S643 L653 Q654 G717Q641-S643 PolarHBondContact O-N 3.44Å; Q641-L653 CarbonylContact O-C 3.58Å; Q641-L653 WeakPolarHBondContact O-CA 3.45Å; Q641-Q654 HydrophobicContact CB-CB 4.35Å; Q641-Q654 PolarHBondContact N-O 3.09Å; Q641-Q654 PolarHBondContact O-N 2.99Å; Q641-G717 WeakPolarHBondContact CG-O 3.46Å; Q641-G717 PolarHBondContact NE2-O 3.42Å
642L95.8Very high92.9Very high2 Ų253.3 Ų53.31%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-74.2120178.1-17260.9000111.5S646 Y651 L653 I714 L716 G717 Q718 I720L642-S646 VanDerWaalsContact CD1-OG 3.26Å; L642-S646 WeakPolarHBondContact CD1-OG 3.15Å; L642-Y651 HydrophobicContact CD1-CD2 3.33Å; L642-Y651 HydrophobicContact CD1-CE2 4.09Å; L642-Y651 HydrophobicContact CD1-CG 3.67Å; L642-Y651 HydrophobicContact CD2-CD2 3.83Å; L642-Y651 HydrophobicContact CD2-CE2 3.69Å; L642-Y651 HydrophobicContact CG-CD2 4.24Å; L642-L653 HydrophobicContact CD1-CD2 3.84Å; L642-I714 HydrophobicContact CD2-CB 4.38Å; L642-I714 HydrophobicContact CD2-CG2 4.08Å; L642-I714 WeakPolarHBondContact CD2-O 3.3Å; L642-L716 HydrophobicContact CD2-CD2 4.12Å; L642-L716 HydrophobicContact CG-CD2 4.15Å; L642-G717 WeakPolarHBondContact O-CA 3.35Å; L642-G717 PolarHBondContact O-N 3.25Å; L642-Q718 PolarHBondContact N-O 3.24Å; L642-I720 HydrophobicContact CD1-CD1 4.33Å
643S93.4Very high93.1Very high8 Ų851.4 Ų51.46%0.05625%0.251CS..PPolyproline II helixtrans-74.9146.5-177-176.40000112.6Q641 Q645 S646 R652 L716Q641-S643 PolarHBondContact O-N 3.44Å; S643-Q645 PolarHBondContact O-N 3.43Å; S643-Q645 PolarHBondContact OG-N 3.39Å; S643-S646 VanDerWaalsContact O-CB 3.24Å; S643-S646 WeakPolarHBondContact O-CB 3.46Å; S643-S646 PolarHBondContact O-N 3.11Å; S643-S646 VanDerWaalsContact O-N 3.1Å; S643-S646 PolarHBondContact O-OG 3.18Å; S643-R652 WeakPolarHBondContact CB-O 3.5Å; S643-R652 PolarHBondContact N-O 3.41Å; S643-L716 WeakPolarHBondContact O-CD2 3.42Å
644P89.2Confident93.5Very high96 Ų9653.3 Ų53.362%0.62326%0.259SS*.THydrogen-bonded Turntrans-57.8-16.9170.5-25.535000115.4S646P644-S646 PolarHBondContact O-N 3.44Å
645Q87.2Confident93.6Very high140 Ų14054.7 Ų54.765%0.65427%0.273SS*.THydrogen-bonded Turntrans-80.99.2176.4-65.8-65.6-32.600113.4S643S643-Q645 PolarHBondContact O-N 3.43Å; S643-Q645 PolarHBondContact OG-N 3.39Å
646S92.5Very high93.6Very high19 Ų1959.3 Ų59.313%0.13330%0.295CS..  trans-84134.3-178.4-57.80000111.4L642 S643 P644 G650 R652L642-S646 VanDerWaalsContact CD1-OG 3.26Å; L642-S646 WeakPolarHBondContact CD1-OG 3.15Å; S643-S646 VanDerWaalsContact O-CB 3.24Å; S643-S646 WeakPolarHBondContact O-CB 3.46Å; S643-S646 PolarHBondContact O-N 3.11Å; S643-S646 VanDerWaalsContact O-N 3.1Å; S643-S646 PolarHBondContact O-OG 3.18Å; P644-S646 PolarHBondContact O-N 3.44Å; S646-G650 WeakPolarHBondContact CA-O 3.45Å; S646-R652 PolarHBondContact OG-N 2.95Å; S646-R652 PolarHBondContact OG-O 2.84Å
647N91.9Very high93.8Very high77 Ų7762 Ų6241%0.41231%0.311SS..  trans-141.5-167.6-179.469.74.5000111.1M649 G650 Y651N647-M649 PolarHBondContact O-N 3.15Å; N647-M649 WeakPolarHBondContact OD1-CB 3.45Å; N647-M649 PolarHBondContact OD1-N 2.94Å; N647-G650 PolarHBondContact N-O 3.26Å; N647-G650 VanDerWaalsContact N-O 3.11Å; N647-G650 PolarHBondContact O-N 3.35Å; N647-G650 PolarHBondContact OD1-N 3.03Å; N647-G650 VanDerWaalsContact OD1-N 3.15Å; N647-Y651 WeakPolarHBondContact O-CD1 3.36Å; N647-Y651 WeakPolarHBondContact O-CE1 3.46Å
648R93.5Very high94.2Very high43 Ų4353.3 Ų53.316%0.16228%0.279CS..SBendtrans-69.9-13.6179.7-67-1775086.914114.9G472 L474 E496 M688 N689 D690G472-R648 PolarHBondContact O-NH1 3.43Å; G472-R648 PolarHBondContact O-NH2 3.45Å; L474-R648 HydrophobicContact CD1-CB 4.39Å; L474-R648 HydrophobicContact CD1-CG 3.91Å; E496-R648 IonicContact OE1-CZ 3.54Å; E496-R648 IonicContact OE1-NH1 2.76Å; E496-R648 PolarHBondContact OE1-NH1 3.2Å; E496-R648 IonicContact OE2-NH1 3.28Å; E496-R648 PolarHBondContact OE2-NH1 3.18Å; R648-M688 WeakPolarHBondContact O-CB 3.16Å; R648-N689 PolarHBondContact O-N 3.45Å; R648-D690 HydrophobicContact CB-CB 4.16Å; R648-D690 WeakPolarHBondContact CB-OD2 3.24Å; R648-D690 IonicContact CZ-OD1 2.78Å; R648-D690 IonicContact CZ-OD2 3.96Å; R648-D690 IonicContact NE-OD1 2.74Å; R648-D690 PolarHBondContact NE-OD1 3.48Å; R648-D690 IonicContact NE-OD2 2.81Å; R648-D690 PolarHBondContact NE-OD2 2.93Å; R648-D690 IonicContact NH2-OD1 2.84Å; R648-D690 PolarHBondContact NH2-OD1 3.4Å; R648-D690 IonicContact NH2-OD2 3.23Å; R648-D690 WeakPolarHBondContact O-CB 3.35Å; R648-D690 PolarHBondContact O-N 3.45Å
649M92Very high94.4Very high59 Ų5958.4 Ų58.429%0.29130%0.298SS..SBendtrans-83.2-43.4173.7-56.5-179.671.500111.4N647 M688 D690 A691N647-M649 PolarHBondContact O-N 3.15Å; N647-M649 WeakPolarHBondContact OD1-CB 3.45Å; N647-M649 PolarHBondContact OD1-N 2.94Å; M649-M688 PolarHBondContact O-N 3.28Å; M649-D690 HydrophobicContact CG-CB 4.11Å; M649-D690 WeakPolarHBondContact CG-O 3.21Å; M649-A691 VanDerWaalsContact O-CB 3.28Å; M649-A691 WeakPolarHBondContact O-CB 3.2Å
650G92.8Very high94.4Very high7 Ų757.7 Ų57.77%0.07229%0.286CS..EExtended strand (participates in β ladder)trans-167146.5-176.500000113.8S646 N647 V686S646-G650 WeakPolarHBondContact CA-O 3.45Å; N647-G650 PolarHBondContact N-O 3.26Å; N647-G650 VanDerWaalsContact N-O 3.11Å; N647-G650 PolarHBondContact O-N 3.35Å; N647-G650 PolarHBondContact OD1-N 3.03Å; N647-G650 VanDerWaalsContact OD1-N 3.15Å; G650-V686 CarbonylContact C-O 3.6Å; G650-V686 WeakPolarHBondContact CA-O 3.19Å
651Y97.3Very high94.2Very high5 Ų562.1 Ų62.12%0.0231%0.313CS..EExtended strand (participates in β ladder)trans-99.1117177.7-83.426.6000109.3R552 L642 N647 I685 V686 M688 L711R552-Y651 PolarHBondContact NH1-OH 2.92Å; L642-Y651 HydrophobicContact CD1-CD2 3.33Å; L642-Y651 HydrophobicContact CD1-CE2 4.09Å; L642-Y651 HydrophobicContact CD1-CG 3.67Å; L642-Y651 HydrophobicContact CD2-CD2 3.83Å; L642-Y651 HydrophobicContact CD2-CE2 3.69Å; L642-Y651 HydrophobicContact CG-CD2 4.24Å; N647-Y651 WeakPolarHBondContact O-CD1 3.36Å; N647-Y651 WeakPolarHBondContact O-CE1 3.46Å; Y651-I685 CarbonylContact O-C 3.59Å; Y651-I685 WeakPolarHBondContact O-CA 3.3Å; Y651-V686 PolarHBondContact N-O 2.76Å; Y651-V686 PolarHBondContact O-N 3.25Å; Y651-M688 HydrophobicContact CD1-CG 3.61Å; Y651-M688 HydrophobicContact CD1-SD 4.18Å; Y651-M688 HydrophobicContact CE1-CE 4.21Å; Y651-M688 HydrophobicContact CE1-CG 4Å; Y651-M688 HydrophobicContact CE1-SD 4.44Å; Y651-M688 HydrophobicContact CG-CG 4.17Å; Y651-M688 HydrophobicContact CG-SD 4.27Å; Y651-L711 HydrophobicContact CD2-CB 4.47Å; Y651-L711 HydrophobicContact CE2-CB 4.17Å; Y651-L711 WeakPolarHBondContact CE2-O 3.22Å; Y651-L711 PolarHBondContact OH-O 2.97Å
652R96.3Very high93.6Very high125 Ų12559.7 Ų59.747%0.47230%0.304SS..EExtended strand (participates in β ladder)trans-90.6126.6-179.7-59.1-177.2-172.8-95.60.9108.7S643 S646 I685S643-R652 WeakPolarHBondContact CB-O 3.5Å; S643-R652 PolarHBondContact N-O 3.41Å; S646-R652 PolarHBondContact OG-N 2.95Å; S646-R652 PolarHBondContact OG-O 2.84Å; R652-I685 HydrophobicContact CG-CG1 4.35Å; R652-I685 HydrophobicContact CG-CG2 4.48Å
653L97.4Very high93.1Very high3 Ų367.5 Ų67.52%0.01635%0.346CS..EExtended strand (participates in β ladder)trans-104.3141.8-176.4-53.9-171.2000110.6W640 Q641 L642 Q683 P684 V686 I720 F722W640-L653 HydrophobicContact CB-CB 4.18Å; W640-L653 HydrophobicContact CB-CD1 3.91Å; W640-L653 HydrophobicContact CE3-CB 4.17Å; W640-L653 HydrophobicContact CG-CD1 4.26Å; Q641-L653 CarbonylContact O-C 3.58Å; Q641-L653 WeakPolarHBondContact O-CA 3.45Å; L642-L653 HydrophobicContact CD1-CD2 3.84Å; L653-Q683 PolarHBondContact O-OE1 3.15Å; L653-P684 HydrophobicContact CB-CB 4.3Å; L653-P684 WeakPolarHBondContact CB-O 3.12Å; L653-P684 HydrophobicContact CD1-CB 4.21Å; L653-P684 HydrophobicContact CG-CB 4.49Å; L653-P684 PolarHBondContact N-O 2.82Å; L653-V686 HydrophobicContact CD1-CG2 3.83Å; L653-V686 HydrophobicContact CG-CG2 4.26Å; L653-I720 HydrophobicContact CD2-CD1 3.81Å; L653-F722 HydrophobicContact CD1-CE2 3.62Å; L653-F722 HydrophobicContact CD1-CZ 3.7Å
654Q96.3Very high92.7Very high96 Ų9672.5 Ų72.545%0.44936%0.364SS..EExtended strand (participates in β ladder)trans-111127.1174.1-69.1-178.1-6.300109.6Q641Q641-Q654 HydrophobicContact CB-CB 4.35Å; Q641-Q654 PolarHBondContact N-O 3.09Å; Q641-Q654 PolarHBondContact O-N 2.99Å
655G94.5Very high92.3Very high33 Ų3374.8 Ų74.834%0.3437%0.366SS..SBendtrans-176.1-154.6179.600000112.4Q683G655-Q683 PolarHBondContact O-NE2 2.87Å; G655-Q683 PolarHBondContact O-OE1 3.24Å
656Q94.1Very high91.9Very high96 Ų9668.9 Ų68.945%0.44934%0.339SS..SBendtrans-61137176.8-177.2172.6-7.300110.8A634 W640 L658A634-Q656 HydrophobicContact CB-CB 4.4Å; A634-Q656 HydrophobicContact CB-CG 4.33Å; W640-Q656 VanDerWaalsContact CH2-O 3.23Å; W640-Q656 WeakPolarHBondContact CH2-O 3.46Å; W640-Q656 WeakPolarHBondContact CZ3-O 3.38Å; Q656-L658 PolarHBondContact O-N 3.38Å
657I96.6Very high90.9Very high106 Ų10675.4 Ų75.454%0.54437%0.372SS..PPolyproline II helixtrans-68.4117.7176.8-60173.6000108.8
658L96.9Very high90.2Very high7 Ų776 Ų764%0.03738%0.382CS..PPolyproline II helixtrans-81.7124.8176.7-56.4-179.1000110.2F627 S631 A634 F635 W640 Q656 V678 G682 P684 I700F627-L658 HydrophobicContact CD1-CB 4.14Å; F627-L658 HydrophobicContact CE1-CB 4.3Å; S631-L658 WeakPolarHBondContact O-CD2 3.43Å; A634-L658 HydrophobicContact CB-CD2 4.23Å; F635-L658 HydrophobicContact CD2-CD1 4.29Å; W640-L658 HydrophobicContact CH2-CD1 3.94Å; W640-L658 HydrophobicContact CH2-CD2 3.74Å; W640-L658 HydrophobicContact CH2-CG 3.77Å; W640-L658 HydrophobicContact CZ2-CD1 4.25Å; W640-L658 HydrophobicContact CZ2-CD2 3.98Å; W640-L658 HydrophobicContact CZ2-CG 4.35Å; Q656-L658 PolarHBondContact O-N 3.38Å; L658-V678 HydrophobicContact CB-CG1 4.08Å; L658-V678 HydrophobicContact CD1-CG1 4.29Å; L658-V678 HydrophobicContact CD1-CG2 3.97Å; L658-G682 PolarHBondContact N-O 2.82Å; L658-G682 WeakPolarHBondContact O-CA 3.19Å; L658-P684 HydrophobicContact CD1-CG 3.78Å; L658-I700 HydrophobicContact CD1-CD1 3.75Å
659K96.3Very high89.7Confident136 Ų13675.5 Ų75.559%0.59138%0.381SS*.PPolyproline II helixtrans-99.1120.3-179.2-66.9-175.9-178.4-179.70110.5F627 D628 S631F627-K659 WeakPolarHBondContact CA-O 3.39Å; D628-K659 PolarHBondContact N-O 3.4Å; S631-K659 PolarHBondContact OG-N 2.95Å
660R94.1Very high88.9Confident59 Ų5975.6 Ų75.622%0.22340%0.397CS..BIsolated β-bridgetrans-84.1138.8170.1-164.7174.9166.7-140.6-9.2109.1E626 F627 T662 R664E626-R660 HydrophobicContact CB-CG 4.01Å; E626-R660 CarbonylContact O-C 3.59Å; E626-R660 WeakPolarHBondContact O-CA 3.28Å; E626-R660 VanDerWaalsContact O-CG 3.25Å; E626-R660 WeakPolarHBondContact O-CG 3.44Å; E626-R660 IonicContact OE2-CZ 3.48Å; E626-R660 VanDerWaalsContact OE2-CZ 3.24Å; E626-R660 IonicContact OE2-NE 3.25Å; E626-R660 PolarHBondContact OE2-NE 3.2Å; E626-R660 IonicContact OE2-NH2 3.42Å; E626-R660 PolarHBondContact OE2-NH2 2.93Å; F627-R660 HydrophobicContact CD1-CB 4.29Å; F627-R660 HydrophobicContact CE1-CB 4.13Å; F627-R660 HydrophobicContact CE1-CG 4.5Å; R660-T662 PolarHBondContact NE-OG1 3.35Å; R660-T662 PolarHBondContact NH2-OG1 2.93Å; R660-T662 VanDerWaalsContact NH2-OG1 3.11Å; R660-R664 VanDerWaalsContact CZ-O 3.31Å; R660-R664 PolarHBondContact NH1-O 3.49Å; R660-R664 PolarHBondContact NH2-O 2.93Å
661T92.5Very high88.5Confident93 Ų9375.7 Ų75.757%0.57140%0.396SS*.SBendtrans-87.9-8.5-179.256.70000112.8E626 D628E626-T661 PolarHBondContact O-N 3.29Å; E626-T661 PolarHBondContact O-OG1 2.78Å; D628-T661 HydrophobicContact CB-CG2 3.93Å
662T85.1Confident88.1Confident44 Ų4479.7 Ų79.727%0.2742%0.417SS..  trans-119.3142.9-179.678.20000110.2E626 R660E626-T662 HydrophobicContact CB-CG2 4.2Å; E626-T662 HydrophobicContact CG-CG2 4.17Å; E626-T662 PolarHBondContact OE2-OG1 3.36Å; R660-T662 PolarHBondContact NE-OG1 3.35Å; R660-T662 PolarHBondContact NH2-OG1 2.93Å; R660-T662 VanDerWaalsContact NH2-OG1 3.11Å
663D85.2Confident87.9Confident166 Ų16674.9 Ų74.989%0.88840%0.402SS*.  trans-99.213.3172.6-62.6-35.8000111.7E665D663-E665 PolarHBondContact O-N 3.23Å
664R85.5Confident87.7Confident112 Ų11274.7 Ų74.742%0.42340%0.401SS..PPolyproline II helixtrans-67.2131.9-177.975.5174.6-171.890-0.6110.1E623 E626 R660 L666E623-R664 IonicContact OE1-NH2 3.46Å; E626-R664 IonicContact OE1-CZ 2.92Å; E626-R664 IonicContact OE1-NE 2.77Å; E626-R664 PolarHBondContact OE1-NE 2.97Å; E626-R664 IonicContact OE1-NH2 3.72Å; E626-R664 PolarHBondContact OE1-NH2 3.48Å; E626-R664 IonicContact OE2-NE 3.53Å; E626-R664 IonicContact OE2-NH2 3.79Å; R660-R664 VanDerWaalsContact CZ-O 3.31Å; R660-R664 PolarHBondContact NH1-O 3.49Å; R660-R664 PolarHBondContact NH2-O 2.93Å; R664-L666 HydrophobicContact CG-CD1 4.36Å
665E80.8Confident87.7Confident145 Ų14570.8 Ų70.868%0.67838%0.384SS*.PPolyproline II helixtrans-68.7142.7167.5-73.1-64.3153.800110.1D663D663-E665 PolarHBondContact O-N 3.23Å
666L77.9Confident87.8Confident15 Ų1569.2 Ų69.28%0.07937%0.367CS..PPolyproline II helixtrans-100.7131.1175-89.573.1000109.4E623 R664 G696 P698E623-L666 HydrophobicContact CG-CD2 3.88Å; R664-L666 HydrophobicContact CG-CD1 4.36Å; L666-G696 WeakPolarHBondContact CB-O 3.4Å; L666-P698 HydrophobicContact CD2-CB 4.41Å
667L72.2Confident87.9Confident157 Ų15764.7 Ų64.782%0.82235%0.346SS*.PPolyproline II helixtrans-60.5143.1165-60.6178.9000109.3H669L667-H669 PolarHBondContact O-CD2 3.39Å; L667-H669 PolarHBondContact O-N 3.03Å
668S76.9Confident87.9Confident90 Ų9059.9 Ų59.963%0.62932%0.322SS*.PPolyproline II helixtrans-59.2129.3175.9-73.90000110.2G695S668-G695 WeakPolarHBondContact CA-O 3.38Å
669H83.4Confident87.8Confident32 Ų3260.3 Ų60.315%0.14833%0.325CS..EExtended strand (participates in β ladder)trans-129.8157.2-175.446.858.3000110.3L667 T694 G695 R699L667-H669 PolarHBondContact O-CD2 3.39Å; L667-H669 PolarHBondContact O-N 3.03Å; H669-T694 VanDerWaalsContact O-CA 3.29Å; H669-T694 WeakPolarHBondContact O-CA 3.31Å; H669-G695 PolarHBondContact CE1-O 3.21Å; H669-G695 PolarHBondContact N-O 3.48Å; H669-G695 PolarHBondContact ND1-O 3.04Å; H669-G695 VanDerWaalsContact ND1-O 3.08Å; H669-G695 PolarHBondContact NE2-O 3.46Å; H669-G695 PolarHBondContact O-N 3.44Å; H669-G695 VanDerWaalsContact O-N 3.14Å; H669-R699 VanDerWaalsContact CD2-CZ 3.47Å; H669-R699 WeakPolarHBondContact CE1-CD 3.43Å; H669-R699 PolarHBondContact CE1-NE 3.42Å; H669-R699 VanDerWaalsContact CE1-NE 3.34Å; H669-R699 PolarHBondContact CE1-NH1 2.94Å; H669-R699 PolarHBondContact ND1-NH1 3.13Å; H669-R699 PolarHBondContact NE2-NE 3.33Å
670G75.1Confident87.4Confident60 Ų6061 Ų6162%0.61933%0.33SS*.EExtended strand (participates in β ladder)trans-56.8140.917700000112.7T693G670-T693 CarbonylContact C-O 3.5Å; G670-T693 WeakPolarHBondContact CA-O 3.11Å
671L84.7Confident87.3Confident9 Ų962.8 Ų62.85%0.04734%0.344CS..  trans-126.7154.5-178.2-63174.1000110.8V675 L687 Q692 T693 T694 G695 R699L671-V675 HydrophobicContact CD2-CG1 4.15Å; L671-L687 HydrophobicContact CB-CD1 3.84Å; L671-L687 HydrophobicContact CD1-CD1 3.66Å; L671-L687 HydrophobicContact CD2-CD1 4.06Å; L671-L687 HydrophobicContact CG-CD1 4.06Å; L671-Q692 HydrophobicContact CD1-CG 3.95Å; L671-T693 PolarHBondContact N-O 3.3Å; L671-T694 VanDerWaalsContact CD1-C 3.4Å; L671-G695 VanDerWaalsContact CD1-N 3.27Å; L671-R699 HydrophobicContact CD2-CG 4.49Å
672L88.9Confident87.3Confident89 Ų8958.5 Ų58.547%0.46632%0.318SS..  trans-141.6156.5175.860.683.4000110.4G674 V675L672-G674 PolarHBondContact O-N 3.02Å; L672-V675 HydrophobicContact CD1-CG2 3.98Å; L672-V675 HydrophobicContact CG-CG2 4.03Å; L672-V675 WeakPolarHBondContact O-CB 3.41Å; L672-V675 VanDerWaalsContact O-CG2 3.29Å; L672-V675 WeakPolarHBondContact O-CG2 3.24Å; L672-V675 PolarHBondContact O-N 3.48Å
673P90.9Very high87.9Confident24 Ų2458.5 Ų58.516%0.15632%0.315CS..THydrogen-bonded Turntrans-56.7136.7175.9-20.327.3000111.6H470 L687 M708H470-P673 WeakPolarHBondContact NE2-CG 3.47Å; P673-L687 CarbonylContact C-O 3.47Å; P673-L687 WeakPolarHBondContact CA-O 3.41Å; P673-M708 HydrophobicContact CB-CE 3.8Å
674G94.2Very high88.5Confident0 Ų050.7 Ų50.70%027%0.273CS..THydrogen-bonded Turntrans99.6-18.6-175.400000113.8L672 V676 L687 C702 I703 M708L672-G674 PolarHBondContact O-N 3.02Å; G674-V676 PolarHBondContact O-N 3.22Å; G674-L687 PolarHBondContact N-O 3.09Å; G674-C702 WeakPolarHBondContact O-CA 3.41Å; G674-I703 PolarHBondContact O-N 2.92Å; G674-M708 WeakPolarHBondContact CA-SD 3.2Å
675V95.3Very high89.1Confident13 Ų1346.4 Ų46.48%0.07926%0.259CS..EExtended strand (participates in β ladder)trans-61.5131.7172.31720000110L671 L672 Q677 L687 R699L671-V675 HydrophobicContact CD2-CG1 4.15Å; L672-V675 HydrophobicContact CD1-CG2 3.98Å; L672-V675 HydrophobicContact CG-CG2 4.03Å; L672-V675 WeakPolarHBondContact O-CB 3.41Å; L672-V675 VanDerWaalsContact O-CG2 3.29Å; L672-V675 WeakPolarHBondContact O-CG2 3.24Å; L672-V675 PolarHBondContact O-N 3.48Å; V675-Q677 HydrophobicContact CG1-CG 4.06Å; V675-L687 HydrophobicContact CB-CD1 4.09Å; V675-L687 HydrophobicContact CB-CG 4.46Å; V675-L687 HydrophobicContact CG1-CD1 4.27Å; V675-L687 WeakPolarHBondContact O-CG 3.27Å; V675-L687 PolarHBondContact O-N 2.82Å; V675-R699 HydrophobicContact CG1-CB 3.98Å; V675-R699 HydrophobicContact CG1-CG 3.58Å
676V97.6Very high89.9Confident0 Ų039.5 Ų39.50%023%0.226CC..EExtended strand (participates in β ladder)trans-104.6101.4178.6-1700000108.9F635 G674 P684 I685 V686 R699 I700 A701 I703F635-V676 HydrophobicContact CE2-CG1 3.97Å; F635-V676 HydrophobicContact CZ-CB 4.49Å; F635-V676 HydrophobicContact CZ-CG1 4.22Å; F635-V676 HydrophobicContact CZ-CG2 4.38Å; G674-V676 PolarHBondContact O-N 3.22Å; V676-P684 HydrophobicContact CG1-CB 3.73Å; V676-I685 CarbonylContact C-O 3.55Å; V676-I685 WeakPolarHBondContact CA-O 3.36Å; V676-V686 HydrophobicContact CG1-CG2 4.3Å; V676-V686 HydrophobicContact CG2-CG2 4.13Å; V676-R699 WeakPolarHBondContact O-CA 3.32Å; V676-I700 HydrophobicContact CB-CG2 4.15Å; V676-I700 HydrophobicContact CG1-CG2 3.97Å; V676-I700 PolarHBondContact O-N 3.04Å; V676-A701 HydrophobicContact CB-CB 4.25Å; V676-A701 HydrophobicContact CG2-CB 4.18Å; V676-A701 PolarHBondContact N-O 3.34Å; V676-I703 HydrophobicContact CG2-CD1 4.18Å; V676-I703 HydrophobicContact CG2-CG1 4.1Å
677Q96.6Very high90.8Very high2 Ų238.9 Ų38.91%0.00922%0.223CC..EExtended strand (participates in β ladder)trans-86.5145.3178-64.3-165.6-63.700111.1V675 P684 I685 L687 Y697 P698 R699V675-Q677 HydrophobicContact CG1-CG 4.06Å; Q677-P684 CarbonylContact O-C 3.56Å; Q677-P684 WeakPolarHBondContact O-CA 3.43Å; Q677-I685 PolarHBondContact N-O 3.45Å; Q677-I685 PolarHBondContact O-N 3.28Å; Q677-L687 HydrophobicContact CG-CD1 4.17Å; Q677-L687 HydrophobicContact CG-CG 4.34Å; Q677-Y697 PolarHBondContact NE2-O 3.06Å; Q677-P698 CarbonylContact C-O 3.56Å; Q677-P698 WeakPolarHBondContact CA-O 3.04Å; Q677-R699 HydrophobicContact CG-CG 4.41Å
678V96.9Very high91.9Very high5 Ų531.4 Ų31.43%0.0318%0.184CC..  trans-122.697.8175.9-173.20000109.2F627 L658 P698 I700F627-V678 HydrophobicContact CE1-CB 3.96Å; F627-V678 HydrophobicContact CE1-CG1 3.86Å; F627-V678 HydrophobicContact CE1-CG2 4.2Å; F627-V678 HydrophobicContact CZ-CB 3.8Å; F627-V678 HydrophobicContact CZ-CG1 4.24Å; F627-V678 HydrophobicContact CZ-CG2 3.96Å; L658-V678 HydrophobicContact CB-CG1 4.08Å; L658-V678 HydrophobicContact CD1-CG1 4.29Å; L658-V678 HydrophobicContact CD1-CG2 3.97Å; V678-P698 PolarHBondContact N-O 3.38Å; V678-P698 VanDerWaalsContact O-CD 3.31Å; V678-P698 WeakPolarHBondContact O-CD 3.48Å; V678-P698 WeakPolarHBondContact O-CG 3.43Å; V678-I700 HydrophobicContact CG2-CB 3.83Å; V678-I700 HydrophobicContact CG2-CG2 3.52Å
679P92.8Very high92.6Very high15 Ų1527.7 Ų27.710%0.09716%0.157CC..  trans-66.5176.6175.2-18.332.6000112.7N681 G682 Q683 I685 Y697P679-N681 PolarHBondContact O-N 2.95Å; P679-G682 PolarHBondContact O-N 2.75Å; P679-Q683 VanDerWaalsContact CD-O 3.27Å; P679-Q683 WeakPolarHBondContact CD-O 3.45Å; P679-I685 HydrophobicContact CG-CD1 3.65Å; P679-I685 HydrophobicContact CG-CG1 4.16Å; P679-Y697 HydrophobicContact CB-CD1 4.03Å; P679-Y697 HydrophobicContact CB-CD2 4.5Å; P679-Y697 HydrophobicContact CB-CE1 3.93Å; P679-Y697 HydrophobicContact CB-CE2 4.39Å; P679-Y697 HydrophobicContact CB-CG 4.33Å; P679-Y697 HydrophobicContact CG-CD1 4.49Å; P679-Y697 HydrophobicContact CG-CD2 4.16Å; P679-Y697 HydrophobicContact CG-CE2 4.23Å; P679-Y697 HydrophobicContact CG-CG 4.29Å
680H88.5Confident93Very high151 Ų15126.5 Ų26.570%0.69915%0.152SC*.THydrogen-bonded Turntrans-53.9-24.7179.8-61.3102.5000115.5G682H680-G682 PolarHBondContact O-N 3.46Å
681N91.7Very high93.6Very high97 Ų9724 Ų2452%0.51913%0.125SC..THydrogen-bonded Turntrans-76.6-4.1176.366.32.6000113.6P679 Q683P679-N681 PolarHBondContact O-N 2.95Å; N681-Q683 PolarHBondContact O-N 2.9Å; N681-Q683 PolarHBondContact OD1-N 2.85Å
682G94.2Very high93.4Very high3 Ų326.8 Ų26.83%0.03114%0.138CC..  trans70.89.6179.400000114.9L658 P679 H680L658-G682 PolarHBondContact N-O 2.82Å; L658-G682 WeakPolarHBondContact O-CA 3.19Å; P679-G682 PolarHBondContact O-N 2.75Å; H680-G682 PolarHBondContact O-N 3.46Å
683Q96.8Very high92.9Very high44 Ų4423.3 Ų23.321%0.20612%0.12CC..  trans-99.9118.7-179.2-64.4-62.4-38.200110.4L653 G655 P679 N681L653-Q683 PolarHBondContact O-OE1 3.15Å; G655-Q683 PolarHBondContact O-NE2 2.87Å; G655-Q683 PolarHBondContact O-OE1 3.24Å; P679-Q683 VanDerWaalsContact CD-O 3.27Å; P679-Q683 WeakPolarHBondContact CD-O 3.45Å; N681-Q683 PolarHBondContact O-N 2.9Å; N681-Q683 PolarHBondContact OD1-N 2.85Å
684P97.6Very high92.4Very high1 Ų125.8 Ų25.81%0.00614%0.136CC..  trans-64146.2-174.5-2232.3000114.3W640 L653 L658 V676 Q677W640-P684 HydrophobicContact CD2-CG 4.42Å; W640-P684 HydrophobicContact CE3-CG 3.93Å; W640-P684 HydrophobicContact CH2-CG 3.79Å; W640-P684 HydrophobicContact CZ2-CG 4.3Å; W640-P684 HydrophobicContact CZ3-CG 3.59Å; L653-P684 HydrophobicContact CB-CB 4.3Å; L653-P684 WeakPolarHBondContact CB-O 3.12Å; L653-P684 HydrophobicContact CD1-CB 4.21Å; L653-P684 HydrophobicContact CG-CB 4.49Å; L653-P684 PolarHBondContact N-O 2.82Å; L658-P684 HydrophobicContact CD1-CG 3.78Å; V676-P684 HydrophobicContact CG1-CB 3.73Å; Q677-P684 CarbonylContact O-C 3.56Å; Q677-P684 WeakPolarHBondContact O-CA 3.43Å
685I97.6Very high91.5Very high22 Ų2226.3 Ų26.311%0.11314%0.141CC..EExtended strand (participates in β ladder)trans-123.6116.4170.9-53.2178.4000108.1Y651 R652 V676 Q677 P679 L687Y651-I685 CarbonylContact O-C 3.59Å; Y651-I685 WeakPolarHBondContact O-CA 3.3Å; R652-I685 HydrophobicContact CG-CG1 4.35Å; R652-I685 HydrophobicContact CG-CG2 4.48Å; V676-I685 CarbonylContact C-O 3.55Å; V676-I685 WeakPolarHBondContact CA-O 3.36Å; Q677-I685 PolarHBondContact N-O 3.45Å; Q677-I685 PolarHBondContact O-N 3.28Å; P679-I685 HydrophobicContact CG-CD1 3.65Å; P679-I685 HydrophobicContact CG-CG1 4.16Å; I685-L687 HydrophobicContact CG2-CD2 4.44Å
686V97.9Very high90.9Very high0 Ų026.9 Ų26.90%015%0.149CC..EExtended strand (participates in β ladder)trans-86.2120.6173.8-176.30000108.7G650 Y651 L653 V676 M688 I703 L711 F722G650-V686 CarbonylContact C-O 3.6Å; G650-V686 WeakPolarHBondContact CA-O 3.19Å; Y651-V686 PolarHBondContact N-O 2.76Å; Y651-V686 PolarHBondContact O-N 3.25Å; L653-V686 HydrophobicContact CD1-CG2 3.83Å; L653-V686 HydrophobicContact CG-CG2 4.26Å; V676-V686 HydrophobicContact CG1-CG2 4.3Å; V676-V686 HydrophobicContact CG2-CG2 4.13Å; V686-M688 HydrophobicContact CG1-SD 4.31Å; V686-I703 HydrophobicContact CB-CD1 4.42Å; V686-I703 HydrophobicContact CG1-CD1 3.4Å; V686-I703 HydrophobicContact CG2-CD1 4.14Å; V686-L711 HydrophobicContact CG1-CD1 3.76Å; V686-F722 HydrophobicContact CG2-CZ 4.13Å
687L96.5Very high90.6Very high2 Ų231.6 Ų31.61%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-74.3135.8178.7-58.8-174.3000110.9L671 P673 G674 V675 Q677 I685 A691L671-L687 HydrophobicContact CB-CD1 3.84Å; L671-L687 HydrophobicContact CD1-CD1 3.66Å; L671-L687 HydrophobicContact CD2-CD1 4.06Å; L671-L687 HydrophobicContact CG-CD1 4.06Å; P673-L687 CarbonylContact C-O 3.47Å; P673-L687 WeakPolarHBondContact CA-O 3.41Å; G674-L687 PolarHBondContact N-O 3.09Å; V675-L687 HydrophobicContact CB-CD1 4.09Å; V675-L687 HydrophobicContact CB-CG 4.46Å; V675-L687 HydrophobicContact CG1-CD1 4.27Å; V675-L687 WeakPolarHBondContact O-CG 3.27Å; V675-L687 PolarHBondContact O-N 2.82Å; Q677-L687 HydrophobicContact CG-CD1 4.17Å; Q677-L687 HydrophobicContact CG-CG 4.34Å; I685-L687 HydrophobicContact CG2-CD2 4.44Å; L687-A691 HydrophobicContact CB-CB 3.8Å; L687-A691 HydrophobicContact CD2-CB 4.23Å; L687-A691 HydrophobicContact CG-CB 4.39Å
688M95.6Very high90.4Very high0 Ų031.9 Ų31.90%017%0.17CC..  trans-114.2-170.1-179.4-59.7-57.7-71.600110L474 R648 M649 Y651 V686 D690 A691 M708 L711L474-M688 HydrophobicContact CD1-CE 4.24Å; L474-M688 HydrophobicContact CD2-CB 4.22Å; L474-M688 HydrophobicContact CD2-CE 4.09Å; R648-M688 WeakPolarHBondContact O-CB 3.16Å; M649-M688 PolarHBondContact O-N 3.28Å; Y651-M688 HydrophobicContact CD1-CG 3.61Å; Y651-M688 HydrophobicContact CD1-SD 4.18Å; Y651-M688 HydrophobicContact CE1-CE 4.21Å; Y651-M688 HydrophobicContact CE1-CG 4Å; Y651-M688 HydrophobicContact CE1-SD 4.44Å; Y651-M688 HydrophobicContact CG-CG 4.17Å; Y651-M688 HydrophobicContact CG-SD 4.27Å; V686-M688 HydrophobicContact CG1-SD 4.31Å; M688-D690 VanDerWaalsContact C-N 3.3Å; M688-D690 PolarHBondContact O-N 3.47Å; M688-A691 WeakPolarHBondContact O-CB 3.37Å; M688-A691 PolarHBondContact O-N 3.23Å; M688-A691 VanDerWaalsContact O-N 3.11Å; M688-M708 HydrophobicContact CE-CE 4.3Å; M688-M708 HydrophobicContact SD-CE 4.06Å; M688-L711 HydrophobicContact CE-CB 3.9Å; M688-L711 HydrophobicContact CE-CD1 4.25Å; M688-L711 HydrophobicContact SD-CB 4.4Å; M688-L711 HydrophobicContact SD-CD1 3.8Å
689N92.3Very high90.4Very high12 Ų1233.7 Ų33.76%0.06418%0.176CC..THydrogen-bonded Turntrans-66.5-28.9-167.4-6623000115.2H470 C471 A473 L474 R648 A691H470-N689 PolarHBondContact CD2-O 2.84Å; H470-N689 PolarHBondContact CE1-ND2 2.97Å; H470-N689 VanDerWaalsContact CE1-ND2 3.34Å; H470-N689 WeakPolarHBondContact NE2-CA 3.4Å; H470-N689 WeakPolarHBondContact NE2-CB 3.12Å; H470-N689 VanDerWaalsContact NE2-CG 3.32Å; H470-N689 PolarHBondContact NE2-O 3.43Å; C471-N689 PolarHBondContact N-O 2.94Å; C471-N689 VanDerWaalsContact N-O 3.14Å; C471-N689 VanDerWaalsContact O-CB 3.26Å; C471-N689 WeakPolarHBondContact O-CB 3.35Å; C471-N689 PolarHBondContact O-ND2 3.34Å; A473-N689 PolarHBondContact O-ND2 3.5Å; L474-N689 HydrophobicContact CD2-CB 3.62Å; L474-N689 VanDerWaalsContact CD2-CG 3.4Å; L474-N689 WeakPolarHBondContact CD2-OD1 3.42Å; R648-N689 PolarHBondContact O-N 3.45Å; N689-A691 VanDerWaalsContact C-N 3.27Å
690D90.6Very high90.5Very high7 Ų733 Ų334%0.03717%0.171CC..THydrogen-bonded Turntrans-9411.4-179.4-52.29.9000110.6C471 R648 M649 M688C471-D690 WeakPolarHBondContact CA-OD1 3.28Å; R648-D690 HydrophobicContact CB-CB 4.16Å; R648-D690 WeakPolarHBondContact CB-OD2 3.24Å; R648-D690 IonicContact CZ-OD1 2.78Å; R648-D690 IonicContact CZ-OD2 3.96Å; R648-D690 IonicContact NE-OD1 2.74Å; R648-D690 PolarHBondContact NE-OD1 3.48Å; R648-D690 IonicContact NE-OD2 2.81Å; R648-D690 PolarHBondContact NE-OD2 2.93Å; R648-D690 IonicContact NH2-OD1 2.84Å; R648-D690 PolarHBondContact NH2-OD1 3.4Å; R648-D690 IonicContact NH2-OD2 3.23Å; R648-D690 WeakPolarHBondContact O-CB 3.35Å; R648-D690 PolarHBondContact O-N 3.45Å; M649-D690 HydrophobicContact CG-CB 4.11Å; M649-D690 WeakPolarHBondContact CG-O 3.21Å; M688-D690 VanDerWaalsContact C-N 3.3Å; M688-D690 PolarHBondContact O-N 3.47Å
691A88.5Confident90.8Very high7 Ų725.8 Ų25.86%0.05814%0.138CC..  trans-61.8155.7179.300000112S469 M649 L687 M688 N689S469-A691 PolarHBondContact OG-O 3.11Å; M649-A691 VanDerWaalsContact O-CB 3.28Å; M649-A691 WeakPolarHBondContact O-CB 3.2Å; L687-A691 HydrophobicContact CB-CB 3.8Å; L687-A691 HydrophobicContact CD2-CB 4.23Å; L687-A691 HydrophobicContact CG-CB 4.39Å; M688-A691 WeakPolarHBondContact O-CB 3.37Å; M688-A691 PolarHBondContact O-N 3.23Å; M688-A691 VanDerWaalsContact O-N 3.11Å; N689-A691 VanDerWaalsContact C-N 3.27Å
692Q80.3Confident90.9Very high69 Ų6922.9 Ų22.932%0.32213%0.125SC..  trans-54.2142.2168.168.3-77.411.600111.5L671 T694L671-Q692 HydrophobicContact CD1-CG 3.95Å; Q692-T694 VanDerWaalsContact C-N 3.33Å; Q692-T694 WeakPolarHBondContact CG-O 3.36Å
693T78.5Confident90.9Very high15 Ų1523 Ų239%0.09213%0.125CC..SBendtrans-77.4-20.2-179.463.90000113R464 G467 I468 G670 L671R464-T693 HydrophobicContact CB-CG2 4.11Å; R464-T693 HydrophobicContact CG-CG2 4.01Å; R464-T693 WeakPolarHBondContact O-CB 3.31Å; R464-T693 WeakPolarHBondContact O-CG2 3.28Å; R464-T693 PolarHBondContact O-OG1 3.28Å; G467-T693 WeakPolarHBondContact CA-OG1 3.27Å; I468-T693 WeakPolarHBondContact O-CG2 3.28Å; G670-T693 CarbonylContact C-O 3.5Å; G670-T693 WeakPolarHBondContact CA-O 3.11Å; L671-T693 PolarHBondContact N-O 3.3Å
694T80.7Confident90.6Very high77 Ų7722.7 Ų22.747%0.47212%0.124SC..EExtended strand (participates in β ladder)trans-136.7152.1177.256.90000111.6H669 L671 Q692H669-T694 VanDerWaalsContact O-CA 3.29Å; H669-T694 WeakPolarHBondContact O-CA 3.31Å; L671-T694 VanDerWaalsContact CD1-C 3.4Å; Q692-T694 VanDerWaalsContact C-N 3.33Å; Q692-T694 WeakPolarHBondContact CG-O 3.36Å
695G75.9Confident90.1Very high11 Ų1131 Ų3111%0.11316%0.163CC..EExtended strand (participates in β ladder)trans-169.6166.4171.100000112S668 H669 L671S668-G695 WeakPolarHBondContact CA-O 3.38Å; H669-G695 PolarHBondContact CE1-O 3.21Å; H669-G695 PolarHBondContact N-O 3.48Å; H669-G695 PolarHBondContact ND1-O 3.04Å; H669-G695 VanDerWaalsContact ND1-O 3.08Å; H669-G695 PolarHBondContact NE2-O 3.46Å; H669-G695 PolarHBondContact O-N 3.44Å; H669-G695 VanDerWaalsContact O-N 3.14Å; L671-G695 VanDerWaalsContact CD1-N 3.27Å
696G82.2Confident89.7Confident24 Ų2432.7 Ų32.725%0.24718%0.181CC..  trans-115.417.3-174.200000115L666L666-G696 WeakPolarHBondContact CB-O 3.4Å
697Y90.5Very high89.5Confident99 Ų9933 Ų3339%0.38818%0.182SC..SBendtrans-86.4143.1173.6-65.2-50.8000111.3Q677 P679Q677-Y697 PolarHBondContact NE2-O 3.06Å; P679-Y697 HydrophobicContact CB-CD1 4.03Å; P679-Y697 HydrophobicContact CB-CD2 4.5Å; P679-Y697 HydrophobicContact CB-CE1 3.93Å; P679-Y697 HydrophobicContact CB-CE2 4.39Å; P679-Y697 HydrophobicContact CB-CG 4.33Å; P679-Y697 HydrophobicContact CG-CD1 4.49Å; P679-Y697 HydrophobicContact CG-CD2 4.16Å; P679-Y697 HydrophobicContact CG-CE2 4.23Å; P679-Y697 HydrophobicContact CG-CG 4.29Å
698P92.9Very high89.4Confident9 Ų933.8 Ų33.86%0.05819%0.186CC..  trans-62.3139.6179.428-35.9000111.1E623 F627 L666 Q677 V678E623-P698 HydrophobicContact CB-CB 3.9Å; E623-P698 HydrophobicContact CG-CB 4.01Å; F627-P698 HydrophobicContact CE2-CB 4.48Å; F627-P698 HydrophobicContact CZ-CB 4.19Å; F627-P698 HydrophobicContact CZ-CG 4.17Å; L666-P698 HydrophobicContact CD2-CB 4.41Å; Q677-P698 CarbonylContact C-O 3.56Å; Q677-P698 WeakPolarHBondContact CA-O 3.04Å; V678-P698 PolarHBondContact N-O 3.38Å; V678-P698 VanDerWaalsContact O-CD 3.31Å; V678-P698 WeakPolarHBondContact O-CD 3.48Å; V678-P698 WeakPolarHBondContact O-CG 3.43Å
699R96Very high89.5Confident42 Ų4235.3 Ų35.316%0.15819%0.192CC..EExtended strand (participates in β ladder)trans-106.8100.5-173-57.4155.8-71.5-166.2-3108.9G621 E623 H669 L671 V675 V676 Q677G621-R699 CarbonylContact C-O 3.54Å; G621-R699 WeakPolarHBondContact CA-O 3.38Å; E623-R699 PolarHBondContact N-O 3.15Å; E623-R699 IonicContact OE1-CZ 3.72Å; E623-R699 IonicContact OE1-NE 2.65Å; E623-R699 IonicContact OE1-NH2 2.91Å; E623-R699 PolarHBondContact OE1-NH2 3.33Å; E623-R699 WeakPolarHBondContact OE2-CB 3.36Å; E623-R699 IonicContact OE2-CZ 3.77Å; E623-R699 PolarHBondContact OE2-N 2.9Å; E623-R699 IonicContact OE2-NE 3.82Å; E623-R699 PolarHBondContact OE2-NE 2.99Å; E623-R699 IonicContact OE2-NH2 2.97Å; E623-R699 PolarHBondContact OE2-NH2 3.16Å; H669-R699 VanDerWaalsContact CD2-CZ 3.47Å; H669-R699 WeakPolarHBondContact CE1-CD 3.43Å; H669-R699 PolarHBondContact CE1-NE 3.42Å; H669-R699 VanDerWaalsContact CE1-NE 3.34Å; H669-R699 PolarHBondContact CE1-NH1 2.94Å; H669-R699 PolarHBondContact ND1-NH1 3.13Å; H669-R699 PolarHBondContact NE2-NE 3.33Å; L671-R699 HydrophobicContact CD2-CG 4.49Å; V675-R699 HydrophobicContact CG1-CB 3.98Å; V675-R699 HydrophobicContact CG1-CG 3.58Å; V676-R699 WeakPolarHBondContact O-CA 3.32Å; Q677-R699 HydrophobicContact CG-CG 4.41Å
700I95.3Very high89.7Confident0 Ų035.9 Ų35.90%019%0.194CC..EExtended strand (participates in β ladder)trans-73.6-31.7-176.8-167.7170000112.3G621 Y624 F627 F635 L658 V676 V678G621-I700 PolarHBondContact N-O 2.99Å; Y624-I700 HydrophobicContact CD2-CG1 3.96Å; Y624-I700 WeakPolarHBondContact CD2-O 3.46Å; F627-I700 HydrophobicContact CB-CD1 4.43Å; F627-I700 HydrophobicContact CD1-CD1 4.24Å; F627-I700 HydrophobicContact CD2-CB 4.19Å; F627-I700 HydrophobicContact CD2-CD1 3.86Å; F627-I700 HydrophobicContact CD2-CG1 3.78Å; F627-I700 HydrophobicContact CE2-CB 3.76Å; F627-I700 HydrophobicContact CE2-CD1 4.18Å; F627-I700 HydrophobicContact CE2-CG1 3.9Å; F627-I700 HydrophobicContact CG-CD1 3.9Å; F627-I700 HydrophobicContact CG-CG1 4.33Å; F627-I700 HydrophobicContact CZ-CB 4.19Å; F635-I700 HydrophobicContact CB-CD1 4.13Å; F635-I700 HydrophobicContact CD2-CD1 4.21Å; F635-I700 HydrophobicContact CD2-CG2 4.12Å; F635-I700 HydrophobicContact CE2-CG2 3.86Å; F635-I700 HydrophobicContact CG-CD1 4.11Å; F635-I700 HydrophobicContact CZ-CG2 4.2Å; L658-I700 HydrophobicContact CD1-CD1 3.75Å; V676-I700 HydrophobicContact CB-CG2 4.15Å; V676-I700 HydrophobicContact CG1-CG2 3.97Å; V676-I700 PolarHBondContact O-N 3.04Å; V678-I700 HydrophobicContact CG2-CB 3.83Å; V678-I700 HydrophobicContact CG2-CG2 3.52Å
701A95.2Very high90Very high1 Ų135.6 Ų35.61%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-154.2167.4-177.300000111.8A618 L619 F635 V676A618-A701 HydrophobicContact CB-CB 4.15Å; L619-A701 CarbonylContact O-C 3.59Å; L619-A701 WeakPolarHBondContact O-CA 3.43Å; L619-A701 WeakPolarHBondContact O-CB 3.39Å; F635-A701 HydrophobicContact CD1-CB 4.43Å; F635-A701 HydrophobicContact CE1-CB 3.41Å; F635-A701 VanDerWaalsContact CE1-CB 3.41Å; F635-A701 HydrophobicContact CZ-CB 3.51Å; V676-A701 HydrophobicContact CB-CB 4.25Å; V676-A701 HydrophobicContact CG2-CB 4.18Å; V676-A701 PolarHBondContact N-O 3.34Å
702C93.9Very high90.4Very high35 Ų3535.2 Ų35.224%0.23619%0.19CC..EExtended strand (participates in β ladder)trans-132.8121.5167-169.80000109.7A618 L619 G674A618-C702 CarbonylContact C-O 3.43Å; A618-C702 WeakPolarHBondContact CA-O 3.15Å; L619-C702 PolarHBondContact N-O 3.2Å; L619-C702 PolarHBondContact O-N 3.09Å; G674-C702 WeakPolarHBondContact O-CA 3.41Å
703I95Very high91.2Very high5 Ų532.2 Ų32.23%0.02618%0.176CC..EExtended strand (participates in β ladder)trans-67.5138.5174.7-63.2166.6000108.7I616 A618 G674 V676 V686 D707 M708 L711 F722I616-I703 HydrophobicContact CG2-CB 4.23Å; I616-I703 HydrophobicContact CG2-CD1 3.99Å; I616-I703 HydrophobicContact CG2-CG1 3.88Å; I616-I703 HydrophobicContact CG2-CG2 3.38Å; A618-I703 HydrophobicContact CB-CG1 4.15Å; G674-I703 PolarHBondContact O-N 2.92Å; V676-I703 HydrophobicContact CG2-CD1 4.18Å; V676-I703 HydrophobicContact CG2-CG1 4.1Å; V686-I703 HydrophobicContact CB-CD1 4.42Å; V686-I703 HydrophobicContact CG1-CD1 3.4Å; V686-I703 HydrophobicContact CG2-CD1 4.14Å; I703-D707 HydrophobicContact CG2-CB 4.35Å; I703-M708 HydrophobicContact CB-SD 4.12Å; I703-M708 HydrophobicContact CG2-CG 4.35Å; I703-M708 HydrophobicContact CG2-SD 3.85Å; I703-L711 HydrophobicContact CD1-CD1 3.72Å; I703-F722 HydrophobicContact CD1-CE1 3.68Å; I703-F722 HydrophobicContact CD1-CZ 4.37Å; I703-F722 HydrophobicContact CG1-CD1 4.48Å; I703-F722 HydrophobicContact CG1-CE1 3.92Å
704I89.6Confident92.1Very high38 Ų3832 Ų3220%0.19517%0.174CC..  trans-72.8144.5178.667.3174.5000110.2R617 L619 A706 D707 M708R617-I704 HydrophobicContact CB-CD1 3.72Å; R617-I704 HydrophobicContact CB-CG1 4.05Å; R617-I704 PolarHBondContact O-N 3.08Å; L619-I704 HydrophobicContact CD1-CG2 4.36Å; L619-I704 HydrophobicContact CG-CG2 4.01Å; I704-A706 HydrophobicContact CD1-CB 4.1Å; I704-A706 HydrophobicContact CG1-CB 4.29Å; I704-A706 PolarHBondContact O-N 2.81Å; I704-A706 VanDerWaalsContact O-N 3.11Å; I704-D707 HydrophobicContact CG1-CB 3.99Å; I704-D707 PolarHBondContact O-N 2.78Å; I704-M708 PolarHBondContact O-N 2.85Å
705E86.4Confident92.7Very high175 Ų17530.5 Ų30.582%0.81817%0.165SC*.Hα-helixtrans-53.2-37.4-179.5-173.1178.3123.300112.5D707 M708E705-D707 PolarHBondContact O-N 3.32Å; E705-D707 VanDerWaalsContact O-N 3.15Å; E705-M708 WeakPolarHBondContact O-CB 3.49Å; E705-M708 PolarHBondContact O-N 3.03Å; E705-M708 VanDerWaalsContact O-N 3.16Å
706A89.3Confident93.5Very high59 Ų5933.7 Ų33.749%0.48818%0.18SC..Hα-helixtrans-60.7-23179.300000114.3I704 Y709I704-A706 HydrophobicContact CD1-CB 4.1Å; I704-A706 HydrophobicContact CG1-CB 4.29Å; I704-A706 PolarHBondContact O-N 2.81Å; I704-A706 VanDerWaalsContact O-N 3.11Å; A706-Y709 VanDerWaalsContact O-CD1 3.25Å; A706-Y709 WeakPolarHBondContact O-CD1 3.39Å; A706-Y709 VanDerWaalsContact O-CE1 3.24Å; A706-Y709 WeakPolarHBondContact O-CE1 3.45Å
707D94.9Very high94Very high5 Ų534 Ų343%0.02718%0.183CC..Hα-helixtrans-107.3-3.6-179.3-71.619.1000112.2I616 R617 I703 I704 E705 Y709 H710I616-D707 HydrophobicContact CG2-CB 4.1Å; R617-D707 VanDerWaalsContact CB-OD2 3.22Å; R617-D707 WeakPolarHBondContact CB-OD2 3.46Å; R617-D707 WeakPolarHBondContact CG-OD2 3.27Å; R617-D707 IonicContact CZ-OD1 2.86Å; R617-D707 IonicContact CZ-OD2 2.75Å; R617-D707 PolarHBondContact N-OD2 3.27Å; R617-D707 IonicContact NE-OD1 3.54Å; R617-D707 PolarHBondContact NE-OD1 2.92Å; R617-D707 IonicContact NE-OD2 3.8Å; R617-D707 PolarHBondContact NE-OD2 3.05Å; R617-D707 IonicContact NH2-OD1 2.75Å; R617-D707 PolarHBondContact NH2-OD1 2.86Å; R617-D707 IonicContact NH2-OD2 2.83Å; I703-D707 HydrophobicContact CG2-CB 4.35Å; I704-D707 HydrophobicContact CG1-CB 3.99Å; I704-D707 PolarHBondContact O-N 2.78Å; E705-D707 PolarHBondContact O-N 3.32Å; E705-D707 VanDerWaalsContact O-N 3.15Å; D707-Y709 VanDerWaalsContact C-N 3.28Å; D707-Y709 PolarHBondContact O-N 2.94Å; D707-H710 WeakPolarHBondContact O-CB 3.34Å; D707-H710 PolarHBondContact O-N 2.98Å
708M94.9Very high94.1Very high20 Ų2034.2 Ų34.210%0.09919%0.187CC..Hα-helixtrans-59.5-37.5-179.5-78.1-64.2-6700112.7P673 G674 M688 I703 I704 E705 H710 L711P673-M708 HydrophobicContact CB-CE 3.8Å; G674-M708 WeakPolarHBondContact CA-SD 3.2Å; M688-M708 HydrophobicContact CE-CE 4.3Å; M688-M708 HydrophobicContact SD-CE 4.06Å; I703-M708 HydrophobicContact CB-SD 4.12Å; I703-M708 HydrophobicContact CG2-CG 4.35Å; I703-M708 HydrophobicContact CG2-SD 3.85Å; I704-M708 PolarHBondContact O-N 2.85Å; E705-M708 WeakPolarHBondContact O-CB 3.49Å; E705-M708 PolarHBondContact O-N 3.03Å; E705-M708 VanDerWaalsContact O-N 3.16Å; M708-H710 PolarHBondContact O-N 2.93Å; M708-L711 HydrophobicContact CE-CD1 4.34Å; M708-L711 WeakPolarHBondContact O-CB 3.33Å; M708-L711 PolarHBondContact O-N 3.49Å; M708-L711 VanDerWaalsContact O-N 3.08Å; M708-L711 HydrophobicContact SD-CD1 3.98Å
709Y96.3Very high94.3Very high31 Ų3135.6 Ų35.612%0.12220%0.196CC..Hα-helixtrans-63.2-25.5-17984.3-81.5000113.1P477 L610 L611 W612 A706 D707 A712P477-Y709 HydrophobicContact CG-CD1 4.4Å; P477-Y709 HydrophobicContact CG-CD2 4.43Å; P477-Y709 HydrophobicContact CG-CG 3.99Å; L610-Y709 HydrophobicContact CB-CE2 3.83Å; L610-Y709 HydrophobicContact CD1-CE2 4.36Å; L611-Y709 WeakPolarHBondContact O-CE2 3.49Å; L611-Y709 PolarHBondContact O-OH 3.48Å; W612-Y709 AromaticContact CD1-CD2 3.43Å; W612-Y709 VanDerWaalsContact CD1-CD2 3.43Å; W612-Y709 AromaticContact CD1-CE2 3.4Å; W612-Y709 VanDerWaalsContact CD1-CE2 3.4Å; W612-Y709 HydrophobicContact CG-CE2 4.36Å; W612-Y709 AromaticContact NE1-CD2 3.68Å; W612-Y709 AromaticContact NE1-CE2 3.84Å; A706-Y709 VanDerWaalsContact O-CD1 3.25Å; A706-Y709 WeakPolarHBondContact O-CD1 3.39Å; A706-Y709 VanDerWaalsContact O-CE1 3.24Å; A706-Y709 WeakPolarHBondContact O-CE1 3.45Å; D707-Y709 VanDerWaalsContact C-N 3.28Å; D707-Y709 PolarHBondContact O-N 2.94Å; Y709-A712 WeakPolarHBondContact O-CB 3.26Å; Y709-A712 PolarHBondContact O-N 3.29Å
710H97.4Very high94.3Very high25 Ų2533.6 Ų33.612%0.11619%0.189CC..Hα-helixtrans-62.1-44174-68.6-55.2000111.3L611 W612 G613 I616 D707 M708 A712 Q713 I714L611-H710 PolarHBondContact O-CE1 3.04Å; W612-H710 WeakPolarHBondContact CA-ND1 3.43Å; G613-H710 PolarHBondContact N-ND1 3.33Å; G613-H710 VanDerWaalsContact N-ND1 3.19Å; I616-H710 HydrophobicContact CD1-CB 3.34Å; D707-H710 WeakPolarHBondContact O-CB 3.34Å; D707-H710 PolarHBondContact O-N 2.98Å; M708-H710 PolarHBondContact O-N 2.93Å; H710-A712 PolarHBondContact O-N 3.37Å; H710-Q713 PolarHBondContact O-N 2.78Å; H710-Q713 VanDerWaalsContact O-N 3.07Å; H710-I714 WeakPolarHBondContact O-CG1 3.34Å; H710-I714 PolarHBondContact O-N 2.85Å
711L97Very high94.3Very high0 Ų036 Ų360%020%0.2CC..Hα-helixtrans-58.9-36.8-179.1-63.9176.5000112.1I616 Y651 V686 M688 I703 M708 Q713 I714 I720I616-L711 HydrophobicContact CD1-CD2 4.32Å; I616-L711 HydrophobicContact CG1-CD2 4.15Å; Y651-L711 HydrophobicContact CD2-CB 4.47Å; Y651-L711 HydrophobicContact CE2-CB 4.17Å; Y651-L711 WeakPolarHBondContact CE2-O 3.22Å; Y651-L711 PolarHBondContact OH-O 2.97Å; V686-L711 HydrophobicContact CG1-CD1 3.76Å; M688-L711 HydrophobicContact CE-CB 3.9Å; M688-L711 HydrophobicContact CE-CD1 4.25Å; M688-L711 HydrophobicContact SD-CB 4.4Å; M688-L711 HydrophobicContact SD-CD1 3.8Å; I703-L711 HydrophobicContact CD1-CD1 3.72Å; M708-L711 HydrophobicContact CE-CD1 4.34Å; M708-L711 WeakPolarHBondContact O-CB 3.33Å; M708-L711 PolarHBondContact O-N 3.49Å; M708-L711 VanDerWaalsContact O-N 3.08Å; M708-L711 HydrophobicContact SD-CD1 3.98Å; L711-Q713 PolarHBondContact O-N 3.38Å; L711-I714 HydrophobicContact CD2-CD1 4.2Å; L711-I714 PolarHBondContact O-N 3.02Å; L711-I720 HydrophobicContact CD2-CD1 3.95Å
712A96.6Very high94.3Very high0 Ų036 Ų360%020%0.2CC..Hα-helixtrans-58-24.3179.600000113.2L474 D475 R552 Y709 H710L474-A712 HydrophobicContact CB-CB 3.69Å; D475-A712 HydrophobicContact CB-CB 3.78Å; R552-A712 PolarHBondContact NH1-O 3.02Å; Y709-A712 WeakPolarHBondContact O-CB 3.26Å; Y709-A712 PolarHBondContact O-N 3.29Å; H710-A712 PolarHBondContact O-N 3.37Å
713Q97.5Very high93.8Very high6 Ų640.9 Ų40.93%0.02821%0.213CC..Hα-helixtrans-107.8-7.9-175.3-57.7-57.9-14.800115D475 G550 R552 W612 H710 L711 P715D475-Q713 PolarHBondContact OD2-NE2 3.06Å; G550-Q713 CarbonylContact C-O 3.47Å; G550-Q713 VanDerWaalsContact CA-O 3.27Å; G550-Q713 WeakPolarHBondContact CA-O 3.43Å; R552-Q713 PolarHBondContact O-NE2 2.88Å; R552-Q713 PolarHBondContact O-OE1 2.73Å; W612-Q713 HydrophobicContact CB-CB 4.22Å; W612-Q713 VanDerWaalsContact CD1-CG 3.42Å; W612-Q713 HydrophobicContact CD2-CB 4.16Å; W612-Q713 HydrophobicContact CD2-CG 3.78Å; W612-Q713 HydrophobicContact CG-CB 3.87Å; W612-Q713 HydrophobicContact CG-CG 3.7Å; W612-Q713 HydrophobicContact CZ2-CG 4.36Å; H710-Q713 PolarHBondContact O-N 2.78Å; H710-Q713 VanDerWaalsContact O-N 3.07Å; L711-Q713 PolarHBondContact O-N 3.38Å; Q713-P715 WeakPolarHBondContact O-CD 3.23Å
714I96.2Very high92.4Very high10 Ų1042.7 Ų42.75%0.05123%0.233CC..PPolyproline II helixtrans-69.4119.5179.8-63.1178.2000109.4L642 H710 L711 Q718 I720L642-I714 HydrophobicContact CD2-CB 4.38Å; L642-I714 HydrophobicContact CD2-CG2 4.08Å; L642-I714 WeakPolarHBondContact CD2-O 3.3Å; H710-I714 WeakPolarHBondContact O-CG1 3.34Å; H710-I714 PolarHBondContact O-N 2.85Å; L711-I714 HydrophobicContact CD2-CD1 4.2Å; L711-I714 PolarHBondContact O-N 3.02Å; I714-Q718 HydrophobicContact CG2-CB 3.92Å; I714-I720 HydrophobicContact CD1-CD1 3.97Å; I714-I720 HydrophobicContact CD1-CG1 3.79Å; I714-I720 HydrophobicContact CD1-CG2 4.48Å; I714-I720 HydrophobicContact CG2-CG1 4.27Å
715P94.6Very high90.6Very high45 Ų4542.2 Ų42.229%0.29224%0.238SC..PPolyproline II helixtrans-63.1148.6175.9-21.833.8000112.4M551 Q713 G717 Q718M551-P715 HydrophobicContact SD-CB 4.43Å; Q713-P715 WeakPolarHBondContact O-CD 3.23Å; P715-G717 PolarHBondContact O-N 2.98Å; P715-Q718 HydrophobicContact CB-CG 3.92Å; P715-Q718 HydrophobicContact CG-CG 4.12Å; P715-Q718 WeakPolarHBondContact O-CB 3.46Å; P715-Q718 PolarHBondContact O-N 2.8Å; P715-Q718 VanDerWaalsContact O-N 3.14Å
716L92.6Very high89Confident79 Ų7938.3 Ų38.341%0.41423%0.229SC..THydrogen-bonded Turntrans-55.3137.4171.9-62.1175.4000110.4M551 L642 S643 Q718M551-L716 HydrophobicContact CE-CG 4.47Å; L642-L716 HydrophobicContact CD2-CD2 4.12Å; L642-L716 HydrophobicContact CG-CD2 4.15Å; S643-L716 WeakPolarHBondContact O-CD2 3.42Å; L716-Q718 VanDerWaalsContact C-N 3.31Å; L716-Q718 PolarHBondContact O-N 2.91Å
717G91.8Very high87.5Confident31 Ų3139.3 Ų39.332%0.3223%0.229SC..THydrogen-bonded Turntrans83.2-8.5-177.400000115.6Q641 L642 P715Q641-G717 WeakPolarHBondContact CG-O 3.46Å; Q641-G717 PolarHBondContact NE2-O 3.42Å; L642-G717 WeakPolarHBondContact O-CA 3.35Å; L642-G717 PolarHBondContact O-N 3.25Å; P715-G717 PolarHBondContact O-N 2.98Å
718Q93.6Very high86.3Confident102 Ų10242.5 Ų42.548%0.47725%0.245SC..  trans-80.7151.8174.2-69.4-69.7-33.200111.7L642 I714 P715 L716L642-Q718 PolarHBondContact N-O 3.24Å; I714-Q718 HydrophobicContact CG2-CB 3.92Å; P715-Q718 HydrophobicContact CB-CG 3.92Å; P715-Q718 HydrophobicContact CG-CG 4.12Å; P715-Q718 WeakPolarHBondContact O-CB 3.46Å; P715-Q718 PolarHBondContact O-N 2.8Å; P715-Q718 VanDerWaalsContact O-N 3.14Å; L716-Q718 VanDerWaalsContact C-N 3.31Å; L716-Q718 PolarHBondContact O-N 2.91Å
719P95.6Very high85.8Confident39 Ų3948.6 Ų48.625%0.25327%0.27SS..EExtended strand (participates in β ladder)trans-78.815317932.7-34.5000111.9N614 P639 W640N614-P719 VanDerWaalsContact CB-O 3.28Å; N614-P719 WeakPolarHBondContact CB-O 3.23Å; P639-P719 HydrophobicContact CB-CB 3.98Å; W640-P719 CarbonylContact O-C 3.5Å; W640-P719 WeakPolarHBondContact O-CA 3.44Å
720I96.4Very high85.5Confident0 Ų047.2 Ų47.20%027%0.265CS..EExtended strand (participates in β ladder)trans-120.9134.6171.6-51.3-174.2000107.7I616 W640 L642 L653 L711 I714 F722I616-I720 HydrophobicContact CB-CG2 4.41Å; I616-I720 HydrophobicContact CG1-CG2 3.69Å; W640-I720 HydrophobicContact CB-CB 4.47Å; W640-I720 PolarHBondContact N-O 2.98Å; W640-I720 PolarHBondContact O-N 3.1Å; L642-I720 HydrophobicContact CD1-CD1 4.33Å; L653-I720 HydrophobicContact CD2-CD1 3.81Å; L711-I720 HydrophobicContact CD2-CD1 3.95Å; I714-I720 HydrophobicContact CD1-CD1 3.97Å; I714-I720 HydrophobicContact CD1-CG1 3.79Å; I714-I720 HydrophobicContact CD1-CG2 4.48Å; I714-I720 HydrophobicContact CG2-CG1 4.27Å; I720-F722 HydrophobicContact CG2-CE1 4.22Å; I720-F722 HydrophobicContact CG2-CZ 4.17Å
721H95.8Very high85.4Confident51 Ų5146.6 Ų46.624%0.23626%0.262CS..EExtended strand (participates in β ladder)trans-116.8112.8177.4-65.9-88.3000110.4N614 R615 I616N614-H721 PolarHBondContact O-N 2.98Å; R615-H721 WeakPolarHBondContact CA-O 3.45Å; I616-H721 PolarHBondContact N-O 3.19Å
722F94.2Very high85.3Confident0 Ų046.6 Ų46.60%026%0.262CS..EExtended strand (participates in β ladder)trans-77.2143.4173.9-64-64.5000111.7I616 A618 F635 W636 W640 L653 V686 I703 I720I616-F722 HydrophobicContact CB-CD1 4.12Å; I616-F722 HydrophobicContact CB-CE1 4.28Å; I616-F722 HydrophobicContact CG2-CD1 4.31Å; I616-F722 HydrophobicContact CG2-CE1 4.25Å; I616-F722 CarbonylContact O-C 3.32Å; I616-F722 VanDerWaalsContact O-CA 3.28Å; I616-F722 WeakPolarHBondContact O-CA 3.26Å; A618-F722 HydrophobicContact CB-CD1 4.23Å; F635-F722 HydrophobicContact CD1-CB 4.44Å; F635-F722 HydrophobicContact CD2-CD2 4.18Å; F635-F722 HydrophobicContact CE1-CB 3.96Å; F635-F722 HydrophobicContact CE1-CD2 4.03Å; F635-F722 AromaticContact CE1-CG 3.95Å; F635-F722 HydrophobicContact CE1-CG 3.95Å; F635-F722 AromaticContact CE2-CD2 3.54Å; F635-F722 HydrophobicContact CE2-CD2 3.54Å; F635-F722 AromaticContact CE2-CE2 3.68Å; F635-F722 HydrophobicContact CE2-CE2 3.68Å; F635-F722 HydrophobicContact CE2-CG 4.25Å; F635-F722 HydrophobicContact CE2-CZ 4.49Å; F635-F722 HydrophobicContact CZ-CB 4.22Å; F635-F722 HydrophobicContact CZ-CD1 4.21Å; F635-F722 AromaticContact CZ-CD2 3.44Å; F635-F722 HydrophobicContact CZ-CD2 3.44Å; F635-F722 VanDerWaalsContact CZ-CD2 3.44Å; F635-F722 AromaticContact CZ-CE2 3.79Å; F635-F722 HydrophobicContact CZ-CE2 3.79Å; F635-F722 AromaticContact CZ-CG 3.68Å; F635-F722 HydrophobicContact CZ-CG 3.68Å; F635-F722 HydrophobicContact CZ-CZ 4.32Å; W636-F722 HydrophobicContact CE3-CB 4.04Å; W636-F722 HydrophobicContact CZ3-CB 4.19Å; W636-F722 VanDerWaalsContact O-O 3.1Å; W640-F722 AromaticContact CD1-CD2 3.53Å; W640-F722 AromaticContact CD1-CE2 3.72Å; W640-F722 HydrophobicContact CG-CD2 4.35Å; W640-F722 HydrophobicContact CG-CE2 4.11Å; W640-F722 AromaticContact NE1-CD2 3.81Å; L653-F722 HydrophobicContact CD1-CE2 3.62Å; L653-F722 HydrophobicContact CD1-CZ 3.7Å; V686-F722 HydrophobicContact CG2-CZ 4.13Å; I703-F722 HydrophobicContact CD1-CE1 3.68Å; I703-F722 HydrophobicContact CD1-CZ 4.37Å; I703-F722 HydrophobicContact CG1-CD1 4.48Å; I703-F722 HydrophobicContact CG1-CE1 3.92Å; I720-F722 HydrophobicContact CG2-CE1 4.22Å; I720-F722 HydrophobicContact CG2-CZ 4.17Å
723R83.6Confident85.1Confident137 Ų13746.6 Ų46.652%0.51726%0.263SS..EExtended strand (participates in β ladder)trans-127135.5169.9-73.7-163.5168.8178.14110R615 I616 R617 A618 W636 G725R615-R723 VanDerWaalsContact CZ-CZ 3.42Å; R615-R723 VanDerWaalsContact NE-CZ 3.26Å; R615-R723 VanDerWaalsContact NE-NE 3.16Å; R615-R723 VanDerWaalsContact NE-NH2 3.2Å; I616-R723 PolarHBondContact O-N 3.21Å; R617-R723 WeakPolarHBondContact CA-O 3.41Å; A618-R723 PolarHBondContact N-O 3.25Å; W636-R723 VanDerWaalsContact CZ3-C 3.48Å; R723-G725 PolarHBondContact O-N 3.16Å; R723-G725 VanDerWaalsContact O-N 3.12Å
724G66.6Low84.8Confident43 Ų4346.3 Ų46.344%0.44326%0.261SS..EExtended strand (participates in β ladder)trans-60.2114.2171.900000110W636W636-G724 VanDerWaalsContact CE3-N 3.33Å
725G51.8Low84.5Confident28 Ų2846.5 Ų46.529%0.28926%0.262SS..  trans-92-16.8-161.900000117A618 R723A618-G725 PolarHBondContact O-N 3.39Å; R723-G725 PolarHBondContact O-N 3.16Å; R723-G725 VanDerWaalsContact O-N 3.12Å
726C51.8Low84.2Confident94 Ų9444.4 Ų44.464%0.63525%0.249SC*.  trans-149.137-175.5-69.50000114.6L619 M728L619-C726 HydrophobicContact CD2-CB 3.44Å; L619-C726 VanDerWaalsContact CD2-CB 3.44Å; L619-C726 VanDerWaalsContact CD2-SG 3.58Å; C726-M728 PolarHBondContact O-N 2.92Å
727T58Low83.8Confident79 Ų7940.7 Ų40.749%0.48523%0.229SC..  trans-69.7115.9161.7160000107.8K729 V968T727-K729 PolarHBondContact O-N 3.44Å; T727-V968 HydrophobicContact CG2-CG2 3.98Å
728M69.8Low83.4Confident73 Ų7341.3 Ų41.336%0.3622%0.224SC..  trans-59.2127.2173.7-73.5-143.1-66.900108.6C726 V922 Q923 I967 V968C726-M728 PolarHBondContact O-N 2.92Å; M728-V922 HydrophobicContact CE-CG1 3.9Å; M728-V922 WeakPolarHBondContact CE-O 3.28Å; M728-Q923 HydrophobicContact CE-CB 3.98Å; M728-Q923 HydrophobicContact CE-CG 3.61Å; M728-I967 HydrophobicContact CB-CG1 4.35Å; M728-I967 HydrophobicContact CE-CD1 4.24Å; M728-I967 HydrophobicContact CE-CG1 4.12Å; M728-I967 CarbonylContact O-C 3.59Å; M728-I967 WeakPolarHBondContact O-CA 3.46Å; M728-V968 PolarHBondContact O-N 3.47Å
729K84.2Confident82.4Confident148 Ų14839.6 Ų39.664%0.64323%0.233SC*.EExtended strand (participates in β ladder)trans-108.5133.5176-69.6-175.7179.6-174.10108.4T727 V968T727-K729 PolarHBondContact O-N 3.44Å; K729-V968 VanDerWaalsContact CA-O 3.28Å; K729-V968 WeakPolarHBondContact CA-O 3.48Å; K729-V968 HydrophobicContact CG-CB 4.23Å
730I91.1Very high81.1Confident1 Ų140.3 Ų40.31%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-129.9134.1174.6-161.569.6000108.4V922 A939 V942 F962 I967 V968 V969 A970I730-V922 HydrophobicContact CD1-CG1 4.46Å; I730-V922 HydrophobicContact CD1-CG2 3.95Å; I730-V922 HydrophobicContact CG1-CG2 4.14Å; I730-A939 HydrophobicContact CD1-CB 4.31Å; I730-A939 VanDerWaalsContact CD1-O 3.24Å; I730-A939 WeakPolarHBondContact CD1-O 3.42Å; I730-V942 HydrophobicContact CD1-CG2 4.06Å; I730-V942 HydrophobicContact CG1-CG2 3.72Å; I730-F962 HydrophobicContact CG2-CD2 3.8Å; I730-F962 HydrophobicContact CG2-CE2 3.56Å; I730-F962 HydrophobicContact CG2-CZ 4.18Å; I730-I967 HydrophobicContact CB-CG2 4.16Å; I730-I967 HydrophobicContact CG2-CG2 3.62Å; I730-V968 PolarHBondContact N-O 2.84Å; I730-V969 HydrophobicContact CG2-CG2 4.31Å; I730-V969 CarbonylContact O-C 3.55Å; I730-V969 VanDerWaalsContact O-CA 3.3Å; I730-V969 WeakPolarHBondContact O-CA 3.37Å; I730-A970 CarbonylContact C-O 3.52Å; I730-A970 PolarHBondContact O-N 2.79Å
731D94.7Very high79.8Confident12 Ų1245.6 Ų45.66%0.06428%0.282CS..EExtended strand (participates in β ladder)trans-79.4126.4165.617743.1000108.3S751 S752 Q940 T941 V942 A970D731-S751 WeakPolarHBondContact CA-OG 3.12Å; D731-S751 WeakPolarHBondContact OD1-CB 3.21Å; D731-S751 PolarHBondContact OD1-OG 3.42Å; D731-S752 VanDerWaalsContact CG-OG 3.25Å; D731-S752 VanDerWaalsContact OD1-CB 3.3Å; D731-S752 WeakPolarHBondContact OD1-CB 3.3Å; D731-S752 PolarHBondContact OD1-N 2.74Å; D731-S752 PolarHBondContact OD1-OG 3.35Å; D731-S752 PolarHBondContact OD2-OG 3.09Å; D731-Q940 PolarHBondContact N-O 2.8Å; D731-Q940 VanDerWaalsContact N-O 3.16Å; D731-T941 CarbonylContact O-C 3.54Å; D731-T941 WeakPolarHBondContact O-CA 3.39Å; D731-T941 PolarHBondContact O-OG1 3.22Å; D731-T941 PolarHBondContact OD2-OG1 2.74Å; D731-V942 PolarHBondContact O-N 3.3Å; D731-A970 WeakPolarHBondContact CA-O 3.44Å
732L94.1Very high78.6Confident0 Ų045.1 Ų45.10%029%0.285CS..EExtended strand (participates in β ladder)trans-102.2110.7170.9-17564.8000106.9V750 S751 S752 V942 L944 L958 V969L732-V750 HydrophobicContact CG-CG1 4.39Å; L732-V750 VanDerWaalsContact O-CB 3.26Å; L732-V750 WeakPolarHBondContact O-CB 3.44Å; L732-S751 PolarHBondContact N-OG 3.36Å; L732-S751 PolarHBondContact O-N 3.38Å; L732-S751 PolarHBondContact O-OG 3.17Å; L732-S752 PolarHBondContact O-N 3.34Å; L732-V942 HydrophobicContact CD1-CB 4.22Å; L732-V942 HydrophobicContact CD1-CG1 4.32Å; L732-L944 HydrophobicContact CD1-CD1 3.79Å; L732-L944 HydrophobicContact CD1-CD2 4.49Å; L732-L944 HydrophobicContact CD1-CG 3.95Å; L732-L944 HydrophobicContact CD2-CD1 4.17Å; L732-L944 HydrophobicContact CG-CD1 3.96Å; L732-L958 HydrophobicContact CD1-CD1 4.44Å; L732-V969 HydrophobicContact CB-CG1 3.66Å
733N93.1Very high77.9Confident1 Ų146.4 Ų46.41%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-111.5154.8-17584.773.5000112.2S752 N754 K831 E885 T941 V942 L944N733-S752 WeakPolarHBondContact CA-O 3.45Å; N733-S752 WeakPolarHBondContact CB-OG 3.39Å; N733-N754 PolarHBondContact OD1-ND2 2.8Å; N733-K831 PolarHBondContact OD1-NZ 2.76Å; N733-E885 PolarHBondContact ND2-OE2 2.91Å; N733-E885 PolarHBondContact OD1-OE2 3.31Å; N733-T941 PolarHBondContact ND2-OG1 3.24Å; N733-V942 PolarHBondContact N-O 2.98Å; N733-L944 PolarHBondContact O-N 2.85Å
734A90.5Very high77.8Confident0 Ų042.4 Ų42.40%029%0.288CS..EExtended strand (participates in β ladder)trans-137.6147.6172.300000111.4L736 L746 V750 S752 N754A734-L736 HydrophobicContact CB-CD2 4.38Å; A734-L736 HydrophobicContact CB-CG 4.33Å; A734-L746 HydrophobicContact CB-CD2 3.8Å; A734-V750 HydrophobicContact CB-CG1 3.92Å; A734-S752 PolarHBondContact N-O 3.15Å; A734-N754 PolarHBondContact O-N 2.93Å; A734-N754 PolarHBondContact O-ND2 3.15Å
735D90.4Very high78.7Confident13 Ų1345.1 Ų45.17%0.0729%0.289CS..EExtended strand (participates in β ladder)trans-84.9123172.6-57-26.7000108.5N754 H784 K831D735-N754 WeakPolarHBondContact OD1-CB 3.44Å; D735-N754 PolarHBondContact OD1-ND2 3.27Å; D735-H784 IonicContact OD1-CE1 2.98Å; D735-H784 IonicContact OD1-NE2 3.07Å; D735-H784 IonicContact OD2-NE2 3.66Å; D735-K831 IonicContact OD1-NZ 3.95Å; D735-K831 PolarHBondContact OD1-NZ 3.15Å; D735-K831 IonicContact OD2-NZ 3.93Å; D735-K831 PolarHBondContact OD2-NZ 3.2Å
736L88.4Confident80.4Confident2 Ų243.9 Ų43.91%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-136.7165-168.7-64.3179.9000112.2A734 E738 D743 L746 L747 A753 N754 I755 A756A734-L736 HydrophobicContact CB-CD2 4.38Å; A734-L736 HydrophobicContact CB-CG 4.33Å; L736-E738 VanDerWaalsContact C-N 3.32Å; L736-D743 HydrophobicContact CD2-CB 4.03Å; L736-L746 HydrophobicContact CD2-CB 4.36Å; L736-L747 HydrophobicContact CD1-CD1 4.27Å; L736-L747 HydrophobicContact CD1-CD2 3.48Å; L736-L747 VanDerWaalsContact CD1-CD2 3.48Å; L736-L747 HydrophobicContact CD1-CG 3.67Å; L736-A753 HydrophobicContact CD1-CB 3.81Å; L736-N754 PolarHBondContact N-O 2.5Å; L736-I755 WeakPolarHBondContact O-CA 3.21Å; L736-A756 PolarHBondContact O-N 2.62Å
737G84.4Confident82.2Confident0 Ų039.7 Ų39.70%025%0.247CC..SBendtrans80.120.4-177.300000112.9D743 G762 I766 C770G737-D743 PolarHBondContact N-OD2 3.35Å; G737-G762 WeakPolarHBondContact O-CA 3.3Å; G737-G762 PolarHBondContact O-N 3.26Å; G737-I766 WeakPolarHBondContact O-CG2 3.45Å; G737-C770 VanDerWaalsContact CA-SG 3.59Å
738E82.6Confident83.7Confident44 Ų4439.1 Ų39.121%0.20624%0.244CC..SBendtrans-97.4-5.7-178-66.6-166.8160.400113.6L736 A756 H760 A761 F793 H833L736-E738 VanDerWaalsContact C-N 3.32Å; E738-A756 HydrophobicContact CG-CB 4.31Å; E738-H760 IonicContact OE1-CD2 3.95Å; E738-H760 IonicContact OE1-NE2 2.92Å; E738-H760 PolarHBondContact OE1-NE2 3.43Å; E738-A761 HydrophobicContact CB-CB 4.19Å; E738-A761 HydrophobicContact CG-CB 4.05Å; E738-F793 HydrophobicContact CB-CZ 3.84Å; E738-F793 VanDerWaalsContact CD-CE1 3.49Å; E738-F793 HydrophobicContact CG-CE1 4.43Å; E738-F793 HydrophobicContact CG-CZ 3.88Å; E738-F793 WeakPolarHBondContact OE1-CE1 3.34Å; E738-F793 VanDerWaalsContact OE2-CE1 3.29Å; E738-F793 WeakPolarHBondContact OE2-CE1 3.4Å; E738-F793 WeakPolarHBondContact OE2-CZ 3.41Å; E738-H833 IonicContact OE1-CE1 3.04Å
739G73.1Confident84.7Confident66 Ų6636.3 Ų36.368%0.6823%0.23SC*.SBendtrans101.516.2178.200000115.3
740C68.7Low85.1Confident54 Ų5429.6 Ų29.637%0.36520%0.202SC..  trans-78.3146175.8-89.70000112.6S742 D743 G946C740-S742 PolarHBondContact O-N 3.1Å; C740-D743 WeakPolarHBondContact CB-OD1 3.3Å; C740-G946 PolarHBondContact SG-O 3.19Å; C740-G946 VanDerWaalsContact SG-O 3.42Å
741A68.1Low85.2Confident111 Ų11130.3 Ų30.392%0.91721%0.206SC*.THydrogen-bonded Turntrans-69.2-16.9179.900000113.4
742S72.2Confident85.3Confident42 Ų4229.8 Ų29.829%0.29420%0.204SC..THydrogen-bonded Turntrans-102.61.2-168.5-47.40000114.7C740 A744 E745 L746C740-S742 PolarHBondContact O-N 3.1Å; S742-A744 VanDerWaalsContact C-N 3.29Å; S742-A744 PolarHBondContact O-N 3.44Å; S742-E745 PolarHBondContact O-N 2.63Å; S742-L746 PolarHBondContact O-N 3.11Å
743D79.3Confident85.3Confident26 Ų2629.8 Ų29.814%0.13920%0.204CC..Hα-helixtrans-53.8-42.9-173.1-76.217.9000112.9L736 G737 C740 E745 L746 L747L736-D743 HydrophobicContact CD2-CB 4.03Å; G737-D743 PolarHBondContact N-OD2 3.35Å; C740-D743 WeakPolarHBondContact CB-OD1 3.3Å; D743-E745 PolarHBondContact O-N 3.25Å; D743-L746 PolarHBondContact O-N 2.78Å; D743-L747 WeakPolarHBondContact O-CG 3.44Å; D743-L747 PolarHBondContact O-N 3.04Å; D743-L747 VanDerWaalsContact O-N 3.17Å
744A82Confident85.4Confident53 Ų5329.7 Ų29.744%0.43820%0.203SC..Hα-helixtrans-66.7-35.5-179.100000112.8S742 E773S742-A744 VanDerWaalsContact C-N 3.29Å; S742-A744 PolarHBondContact O-N 3.44Å; A744-E773 HydrophobicContact CB-CG 4.34Å
745E85.6Confident85.6Confident101 Ų10129.8 Ų29.847%0.47220%0.204SC..Hα-helixtrans-75.7-38178-68.6-171.6-163.300111.6S742 D743 L747 T748 L952S742-E745 PolarHBondContact O-N 2.63Å; D743-E745 PolarHBondContact O-N 3.25Å; E745-L747 VanDerWaalsContact C-N 3.29Å; E745-L747 PolarHBondContact O-N 2.92Å; E745-T748 WeakPolarHBondContact O-CB 3.39Å; E745-T748 PolarHBondContact O-N 2.93Å; E745-T748 PolarHBondContact O-OG1 3.42Å; E745-L952 HydrophobicContact CB-CD1 3.61Å; E745-L952 HydrophobicContact CB-CD2 4.47Å; E745-L952 WeakPolarHBondContact OE2-CD2 2.88Å
746L86.3Confident85.8Confident2 Ų229.1 Ų29.11%0.0120%0.2CC..Hα-helixtrans-58.7-39.8174.5-103.2134.3000112.1A734 L736 S742 D743 T748 L749 V750 L952A734-L746 HydrophobicContact CB-CD2 3.8Å; L736-L746 HydrophobicContact CD2-CB 4.36Å; S742-L746 PolarHBondContact O-N 3.11Å; D743-L746 PolarHBondContact O-N 2.78Å; L746-T748 PolarHBondContact O-N 3.47Å; L746-T748 VanDerWaalsContact O-N 3.08Å; L746-L749 PolarHBondContact O-N 2.99Å; L746-V750 HydrophobicContact CD2-CG1 4.24Å; L746-V750 WeakPolarHBondContact O-CG2 3.29Å; L746-V750 PolarHBondContact O-N 3.31Å; L746-V750 VanDerWaalsContact O-N 3.15Å; L746-L952 HydrophobicContact CG-CD1 4.46Å
747L89.2Confident86.2Confident5 Ų529.2 Ų29.23%0.02620%0.201CC..THydrogen-bonded Turntrans-59.8-18.3175.9-75.6169.9000114L736 D743 E745 L749 V750 A753 E773 A774 N777 V779L736-L747 HydrophobicContact CD1-CD1 4.27Å; L736-L747 HydrophobicContact CD1-CD2 3.48Å; L736-L747 VanDerWaalsContact CD1-CD2 3.48Å; L736-L747 HydrophobicContact CD1-CG 3.67Å; D743-L747 WeakPolarHBondContact O-CG 3.44Å; D743-L747 PolarHBondContact O-N 3.04Å; D743-L747 VanDerWaalsContact O-N 3.17Å; E745-L747 VanDerWaalsContact C-N 3.29Å; E745-L747 PolarHBondContact O-N 2.92Å; L747-L749 VanDerWaalsContact C-N 3.31Å; L747-V750 HydrophobicContact CD2-CG2 4.43Å; L747-A753 HydrophobicContact CD2-CB 3.97Å; L747-E773 HydrophobicContact CD1-CB 3.58Å; L747-E773 HydrophobicContact CD1-CG 3.52Å; L747-A774 HydrophobicContact CD2-CB 4.16Å; L747-N777 HydrophobicContact CB-CB 4.43Å; L747-N777 WeakPolarHBondContact O-CB 3.5Å; L747-V779 HydrophobicContact CD2-CB 4.1Å; L747-V779 HydrophobicContact CD2-CG1 3.87Å; L747-V779 HydrophobicContact CD2-CG2 4.04Å; L747-V779 WeakPolarHBondContact O-CG2 3.19Å
748T90Very high86.6Confident67 Ų6730.1 Ų30.141%0.41121%0.21SC..THydrogen-bonded Turntrans-79.8-17.3173.673.90000112.8E745 L746 R959E745-T748 WeakPolarHBondContact O-CB 3.39Å; E745-T748 PolarHBondContact O-N 2.93Å; E745-T748 PolarHBondContact O-OG1 3.42Å; L746-T748 PolarHBondContact O-N 3.47Å; L746-T748 VanDerWaalsContact O-N 3.08Å; T748-R959 PolarHBondContact O-NH1 2.57Å
749L90Very high87.2Confident14 Ų1430.2 Ų30.27%0.07321%0.21CC..THydrogen-bonded Turntrans-106.6-32.1-170.5-62176000113.4L746 L747 L952 A955 R956 R959L746-L749 PolarHBondContact O-N 2.99Å; L747-L749 VanDerWaalsContact C-N 3.31Å; L749-L952 HydrophobicContact CD1-CD1 3.83Å; L749-L952 HydrophobicContact CD1-CG 4.41Å; L749-A955 HydrophobicContact CB-CB 4.3Å; L749-A955 HydrophobicContact CD1-CB 3.75Å; L749-R956 HydrophobicContact CD1-CG 3.61Å; L749-R956 HydrophobicContact CD2-CG 4.06Å; L749-R959 VanDerWaalsContact C-NH1 3.3Å; L749-R959 VanDerWaalsContact CA-NH1 3.27Å; L749-R959 PolarHBondContact O-NH1 3.1Å
750V92.5Very high88.2Confident8 Ų827.1 Ų27.15%0.04818%0.178CC..  trans-89.9162.1-176.1-59.90000113.2L732 A734 L746 L747 V779 L944L732-V750 HydrophobicContact CG-CG1 4.39Å; L732-V750 VanDerWaalsContact O-CB 3.26Å; L732-V750 WeakPolarHBondContact O-CB 3.44Å; A734-V750 HydrophobicContact CB-CG1 3.92Å; L746-V750 HydrophobicContact CD2-CG1 4.24Å; L746-V750 WeakPolarHBondContact O-CG2 3.29Å; L746-V750 PolarHBondContact O-N 3.31Å; L746-V750 VanDerWaalsContact O-N 3.15Å; L747-V750 HydrophobicContact CD2-CG2 4.43Å; V750-V779 HydrophobicContact CG2-CG1 4.14Å; V750-V779 HydrophobicContact CG2-CG2 4.39Å; V750-L944 HydrophobicContact CG1-CD1 4.32Å
751S94.6Very high89.3Confident15 Ų1524.8 Ų24.811%0.10516%0.163CC..SBendtrans-100.3-22.6173.245.70000113.4D731 L732 A780D731-S751 WeakPolarHBondContact CA-OG 3.12Å; D731-S751 WeakPolarHBondContact OD1-CB 3.21Å; D731-S751 PolarHBondContact OD1-OG 3.42Å; L732-S751 PolarHBondContact N-OG 3.36Å; L732-S751 PolarHBondContact O-N 3.38Å; L732-S751 PolarHBondContact O-OG 3.17Å; S751-A780 PolarHBondContact O-N 3.37Å
752S95.4Very high90.3Very high1 Ų119.7 Ų19.71%0.00712%0.121CC..EExtended strand (participates in β ladder)trans-140.6155.8176.275.40000112.3D731 L732 N733 A734 A780D731-S752 VanDerWaalsContact CG-OG 3.25Å; D731-S752 VanDerWaalsContact OD1-CB 3.3Å; D731-S752 WeakPolarHBondContact OD1-CB 3.3Å; D731-S752 PolarHBondContact OD1-N 2.74Å; D731-S752 PolarHBondContact OD1-OG 3.35Å; D731-S752 PolarHBondContact OD2-OG 3.09Å; L732-S752 PolarHBondContact O-N 3.34Å; N733-S752 WeakPolarHBondContact CA-O 3.45Å; N733-S752 WeakPolarHBondContact CB-OG 3.39Å; A734-S752 PolarHBondContact N-O 3.15Å; S752-A780 CarbonylContact C-O 3.53Å; S752-A780 WeakPolarHBondContact CA-O 3.44Å
753A94.4Very high91.3Very high0 Ų020.7 Ų20.70%012%0.123CC..EExtended strand (participates in β ladder)trans-130.9127.7-177.700000110.9L736 L747 I755 V779 A780 G782 H829L736-A753 HydrophobicContact CD1-CB 3.81Å; L747-A753 HydrophobicContact CD2-CB 3.97Å; A753-I755 HydrophobicContact CB-CG1 4.42Å; A753-V779 HydrophobicContact CB-CG1 3.81Å; A753-A780 PolarHBondContact N-O 3.28Å; A753-G782 PolarHBondContact O-N 2.86Å; A753-H829 PolarHBondContact O-CE1 3.01Å
754N95.2Very high91.9Very high0 Ų022.6 Ų22.60%014%0.142CC..EExtended strand (participates in β ladder)trans-96105.7171.9-44-60.8000108.3N733 A734 D735 L736 H784 H829 K831N733-N754 PolarHBondContact OD1-ND2 2.8Å; A734-N754 PolarHBondContact O-N 2.93Å; A734-N754 PolarHBondContact O-ND2 3.15Å; D735-N754 WeakPolarHBondContact OD1-CB 3.44Å; D735-N754 PolarHBondContact OD1-ND2 3.27Å; L736-N754 PolarHBondContact N-O 2.5Å; N754-H784 HydrophobicContact CB-CB 3.93Å; N754-H829 PolarHBondContact OD1-CD2 2.95Å; N754-H829 PolarHBondContact OD1-NE2 3.28Å; N754-K831 HydrophobicContact CB-CD 4.22Å; N754-K831 VanDerWaalsContact CG-CD 3.42Å; N754-K831 WeakPolarHBondContact ND2-CD 3.43Å; N754-K831 PolarHBondContact ND2-NZ 2.95Å
755I95.3Very high92.4Very high1 Ų127.4 Ų27.41%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-94.1125-172.7-56.2177.4000110.1L736 A753 C757 M767 C770 V771 I781 G782 H784 L816L736-I755 WeakPolarHBondContact O-CA 3.21Å; A753-I755 HydrophobicContact CB-CG1 4.42Å; I755-C757 PolarHBondContact O-N 2.88Å; I755-C757 PolarHBondContact O-SG 2.98Å; I755-C757 VanDerWaalsContact O-SG 3.33Å; I755-M767 HydrophobicContact CG2-CG 4.08Å; I755-C770 HydrophobicContact CD1-CB 3.87Å; I755-C770 HydrophobicContact CG1-CB 4.21Å; I755-C770 HydrophobicContact CG2-CB 3.98Å; I755-V771 HydrophobicContact CD1-CG2 3.82Å; I755-I781 HydrophobicContact CD1-CG2 3.97Å; I755-G782 PolarHBondContact N-O 2.75Å; I755-H784 WeakPolarHBondContact O-CB 3.49Å; I755-H784 PolarHBondContact O-N 2.83Å; I755-L816 HydrophobicContact CB-CD1 4.13Å; I755-L816 HydrophobicContact CB-CD2 4.01Å; I755-L816 HydrophobicContact CD1-CD1 4.35Å; I755-L816 HydrophobicContact CG2-CD1 3.98Å
756A95.2Very high92.7Very high0 Ų025.2 Ų25.20%015%0.146CC..EExtended strand (participates in β ladder)trans-54.3128.517800000112.9L736 E738 H760 A761 M767L736-A756 PolarHBondContact O-N 2.62Å; E738-A756 HydrophobicContact CG-CB 4.31Å; A756-H760 VanDerWaalsContact CB-NE2 3.31Å; A756-H760 WeakPolarHBondContact CB-NE2 3.41Å; A756-A761 HydrophobicContact CB-CB 4.26Å; A756-A761 WeakPolarHBondContact CB-O 3.35Å; A756-M767 VanDerWaalsContact O-CG 3.23Å; A756-M767 WeakPolarHBondContact O-CG 3.48Å
757C95.8Very high93.1Very high4 Ų425.7 Ų25.73%0.02715%0.148CC..  trans-98.313.2-173.4-58.10000115I755 H784 Q812I755-C757 PolarHBondContact O-N 2.88Å; I755-C757 PolarHBondContact O-SG 2.98Å; I755-C757 VanDerWaalsContact O-SG 3.33Å; C757-H784 PolarHBondContact SG-N 3.07Å; C757-H784 VanDerWaalsContact SG-N 3.41Å; C757-Q812 HydrophobicContact CB-CB 3.61Å; C757-Q812 HydrophobicContact CB-CG 3.91Å
758G92.8Very high93.3Very high19 Ų1929.2 Ų29.220%0.19617%0.165CC..SBendtrans104.4-20.3171.400000116.4A761 R790G758-A761 CarbonylContact C-O 3.6Å; G758-A761 WeakPolarHBondContact CA-O 3.4Å; G758-A761 PolarHBondContact N-O 2.94Å; G758-R790 PolarHBondContact O-NH1 3.36Å
759F95.4Very high93.5Very high46 Ų4628.8 Ų28.820%0.20217%0.168CC..SBendtrans-81.5-31.7-175-84.423.9000114.1S786 P788 D789 R790 Q808 Y811 Q812F759-S786 VanDerWaalsContact CB-OG 3.23Å; F759-S786 WeakPolarHBondContact CB-OG 3.44Å; F759-S786 WeakPolarHBondContact CD2-O 3.37Å; F759-P788 HydrophobicContact CD2-CB 3.69Å; F759-P788 HydrophobicContact CD2-CG 4.41Å; F759-P788 HydrophobicContact CE2-CB 3.89Å; F759-P788 HydrophobicContact CE2-CG 4.45Å; F759-P788 HydrophobicContact CG-CB 4.28Å; F759-D789 PolarHBondContact O-N 2.84Å; F759-R790 WeakPolarHBondContact O-CA 3.37Å; F759-R790 WeakPolarHBondContact O-CB 3.4Å; F759-R790 PolarHBondContact O-N 2.78Å; F759-R790 VanDerWaalsContact O-N 3.14Å; F759-Q808 HydrophobicContact CE2-CB 3.99Å; F759-Q808 HydrophobicContact CE2-CG 4Å; F759-Y811 HydrophobicContact CE1-CD1 4.01Å; F759-Y811 AromaticContact CE1-CE1 3.87Å; F759-Y811 HydrophobicContact CE1-CE1 3.87Å; F759-Y811 HydrophobicContact CZ-CD1 4.09Å; F759-Y811 HydrophobicContact CZ-CE1 4.34Å; F759-Q812 HydrophobicContact CD1-CG 4.2Å; F759-Q812 HydrophobicContact CD2-CG 4.32Å; F759-Q812 HydrophobicContact CE1-CG 4.38Å; F759-Q812 HydrophobicContact CG-CG 4.18Å
760H94Very high93.6Very high1 Ų128.8 Ų28.81%0.00517%0.169CC..SBendtrans-105.6-39.6172.960.9-77.9000111.8E738 A756 H784 S786 H833E738-H760 IonicContact OE1-CD2 3.95Å; E738-H760 IonicContact OE1-NE2 2.92Å; E738-H760 PolarHBondContact OE1-NE2 3.43Å; A756-H760 VanDerWaalsContact CB-NE2 3.31Å; A756-H760 WeakPolarHBondContact CB-NE2 3.41Å; H760-H784 PolarHBondContact CE1-O 3.43Å; H760-H784 AromaticContact NE2-CD2 3.89Å; H760-S786 VanDerWaalsContact CB-OG 3.31Å; H760-S786 WeakPolarHBondContact CB-OG 3.21Å; H760-S786 PolarHBondContact N-OG 2.81Å; H760-S786 VanDerWaalsContact ND1-CB 3.34Å; H760-S786 WeakPolarHBondContact ND1-CB 3.23Å; H760-S786 PolarHBondContact ND1-OG 2.99Å; H760-H833 AromaticContact CD2-CD2 3.34Å; H760-H833 PolarHBondContact CD2-CD2 3.44Å; H760-H833 AromaticContact CD2-CG 3.97Å; H760-H833 AromaticContact CD2-NE2 3.38Å; H760-H833 PolarHBondContact CD2-NE2 3.09Å; H760-H833 AromaticContact CE1-CD2 3.98Å; H760-H833 AromaticContact CG-CD2 3.2Å; H760-H833 AromaticContact CG-NE2 3.65Å; H760-H833 AromaticContact ND1-CD2 3.64Å; H760-H833 AromaticContact NE2-CD2 3.88Å
761A92.3Very high93.7Very high5 Ų528.4 Ų28.44%0.04117%0.167CC..SBendtrans-157.5175.7179.900000110E738 A756 G758 F793E738-A761 HydrophobicContact CB-CB 4.19Å; E738-A761 HydrophobicContact CG-CB 4.05Å; A756-A761 HydrophobicContact CB-CB 4.26Å; A756-A761 WeakPolarHBondContact CB-O 3.35Å; G758-A761 CarbonylContact C-O 3.6Å; G758-A761 WeakPolarHBondContact CA-O 3.4Å; G758-A761 PolarHBondContact N-O 2.94Å; A761-F793 HydrophobicContact CB-CD2 4.43Å; A761-F793 HydrophobicContact CB-CE2 3.77Å; A761-F793 HydrophobicContact CB-CZ 4.13Å
762G88.6Confident93.7Very high3 Ų334.3 Ų34.33%0.03119%0.187CC..  trans75.9172.5-179.800000114.2G737 R790G737-G762 WeakPolarHBondContact O-CA 3.3Å; G737-G762 PolarHBondContact O-N 3.26Å; G762-R790 PolarHBondContact O-NH1 3.42Å; G762-R790 PolarHBondContact O-NH2 2.96Å; G762-R790 VanDerWaalsContact O-NH2 3.11Å
763D92.6Very high93.6Very high64 Ų6436.5 Ų36.534%0.34220%0.197SC..  trans-154.5-177.1172.362.142000109.2Q765 I766 M767D763-Q765 VanDerWaalsContact C-N 3.29Å; D763-Q765 PolarHBondContact O-N 3.28Å; D763-Q765 WeakPolarHBondContact OD1-CA 3.47Å; D763-Q765 WeakPolarHBondContact OD1-CB 3.4Å; D763-Q765 PolarHBondContact OD1-N 3.11Å; D763-I766 PolarHBondContact O-N 3.15Å; D763-I766 PolarHBondContact OD1-N 3.49Å; D763-M767 WeakPolarHBondContact O-CB 3.48Å; D763-M767 WeakPolarHBondContact O-CE 3.38Å; D763-M767 WeakPolarHBondContact O-CG 3.44Å; D763-M767 PolarHBondContact O-N 3.21Å
764A92.7Very high93.5Very high65 Ų6536.5 Ų36.554%0.53720%0.197SC..Hα-helixtrans-61-34.8-178.700000113.7Q768A764-Q768 WeakPolarHBondContact O-CB 3.44Å; A764-Q768 PolarHBondContact O-N 2.83Å; A764-Q768 VanDerWaalsContact O-N 3.13Å
765Q92.9Very high93.5Very high154 Ų15439.8 Ų39.872%0.7221%0.214SC*.Hα-helixtrans-73.6-43.4-179.9-66178.9-10.800110.5D763 Q768 A769D763-Q765 VanDerWaalsContact C-N 3.29Å; D763-Q765 PolarHBondContact O-N 3.28Å; D763-Q765 WeakPolarHBondContact OD1-CA 3.47Å; D763-Q765 WeakPolarHBondContact OD1-CB 3.4Å; D763-Q765 PolarHBondContact OD1-N 3.11Å; Q765-Q768 PolarHBondContact O-N 3.15Å; Q765-A769 PolarHBondContact O-N 2.91Å
766I92Very high93.4Very high55 Ų5546.8 Ų46.828%0.28224%0.244SC..Hα-helixtrans-63.2-47.2176.1-65170.4000110.5G737 D763 Q768 A769 C770G737-I766 WeakPolarHBondContact O-CG2 3.45Å; D763-I766 PolarHBondContact O-N 3.15Å; D763-I766 PolarHBondContact OD1-N 3.49Å; I766-Q768 VanDerWaalsContact C-N 3.3Å; I766-Q768 PolarHBondContact O-N 2.93Å; I766-A769 PolarHBondContact O-N 3.06Å; I766-A769 VanDerWaalsContact O-N 3.15Å; I766-C770 PolarHBondContact O-N 3.47Å; I766-C770 PolarHBondContact O-SG 3.01Å; I766-C770 VanDerWaalsContact O-SG 3.38Å
767M94Very high93.3Very high12 Ų1249.5 Ų49.56%0.05926%0.259CS..Hα-helixtrans-55.3-45.8175.4-79.6-173.6-97.100111.5I755 A756 D763 A769 C770 V771 L816 I819I755-M767 HydrophobicContact CG2-CG 4.08Å; A756-M767 VanDerWaalsContact O-CG 3.23Å; A756-M767 WeakPolarHBondContact O-CG 3.48Å; D763-M767 WeakPolarHBondContact O-CB 3.48Å; D763-M767 WeakPolarHBondContact O-CE 3.38Å; D763-M767 WeakPolarHBondContact O-CG 3.44Å; D763-M767 PolarHBondContact O-N 3.21Å; M767-A769 PolarHBondContact O-N 2.88Å; M767-C770 PolarHBondContact O-N 2.75Å; M767-V771 WeakPolarHBondContact O-CB 3.43Å; M767-V771 VanDerWaalsContact O-CG2 3.24Å; M767-V771 WeakPolarHBondContact O-CG2 3.33Å; M767-V771 PolarHBondContact O-N 3.02Å; M767-L816 HydrophobicContact CB-CD1 4.18Å; M767-L816 HydrophobicContact CG-CD1 4.1Å; M767-L816 HydrophobicContact SD-CB 4.46Å; M767-L816 HydrophobicContact SD-CD1 4.1Å; M767-I819 HydrophobicContact CB-CD1 3.67Å; M767-I819 HydrophobicContact CE-CD1 4.41Å; M767-I819 HydrophobicContact CG-CD1 4.45Å; M767-I819 HydrophobicContact SD-CD1 3.97Å
768Q94.4Very high93.1Very high80 Ų8052.7 Ų52.737%0.37429%0.292SS..Hα-helixtrans-63.6-40.6178.9-171.5-1804200112.3A764 Q765 I766 R772 I819 Q823A764-Q768 WeakPolarHBondContact O-CB 3.44Å; A764-Q768 PolarHBondContact O-N 2.83Å; A764-Q768 VanDerWaalsContact O-N 3.13Å; Q765-Q768 PolarHBondContact O-N 3.15Å; I766-Q768 VanDerWaalsContact C-N 3.3Å; I766-Q768 PolarHBondContact O-N 2.93Å; Q768-R772 PolarHBondContact O-N 2.99Å; Q768-R772 VanDerWaalsContact O-N 3.16Å; Q768-I819 HydrophobicContact CB-CG2 4.02Å; Q768-I819 HydrophobicContact CG-CG2 4.39Å; Q768-Q823 HydrophobicContact CG-CG 4.27Å
769A92.7Very high93.2Very high57 Ų5752.2 Ų52.247%0.47129%0.285SS..Hα-helixtrans-64.9-48.8176.900000111.7Q765 I766 M767 V771 R772 E773Q765-A769 PolarHBondContact O-N 2.91Å; I766-A769 PolarHBondContact O-N 3.06Å; I766-A769 VanDerWaalsContact O-N 3.15Å; M767-A769 PolarHBondContact O-N 2.88Å; A769-V771 PolarHBondContact O-N 3.07Å; A769-R772 PolarHBondContact O-N 3.32Å; A769-E773 PolarHBondContact O-N 2.95Å
770C92.8Very high93.3Very high14 Ų1450.9 Ų50.910%0.09528%0.282CS..Hα-helixtrans-61.2-43.2178.5-680000112.2G737 I755 I766 M767 R772 E773 A774G737-C770 VanDerWaalsContact CA-SG 3.59Å; I755-C770 HydrophobicContact CD1-CB 3.87Å; I755-C770 HydrophobicContact CG1-CB 4.21Å; I755-C770 HydrophobicContact CG2-CB 3.98Å; I766-C770 PolarHBondContact O-N 3.47Å; I766-C770 PolarHBondContact O-SG 3.01Å; I766-C770 VanDerWaalsContact O-SG 3.38Å; M767-C770 PolarHBondContact O-N 2.75Å; C770-R772 VanDerWaalsContact C-N 3.33Å; C770-R772 PolarHBondContact O-N 3.19Å; C770-E773 PolarHBondContact O-N 2.98Å; C770-A774 WeakPolarHBondContact O-CB 3.49Å; C770-A774 PolarHBondContact O-N 3.01Å
771V94.7Very high93.4Very high0 Ų051 Ų510%028%0.283CS..Hα-helixtrans-58.8-45.5176161.80000111.2I755 M767 A769 E773 A774 I775 I781 L816 I819 A820 Q823I755-V771 HydrophobicContact CD1-CG2 3.82Å; M767-V771 WeakPolarHBondContact O-CB 3.43Å; M767-V771 VanDerWaalsContact O-CG2 3.24Å; M767-V771 WeakPolarHBondContact O-CG2 3.33Å; M767-V771 PolarHBondContact O-N 3.02Å; A769-V771 PolarHBondContact O-N 3.07Å; V771-E773 VanDerWaalsContact C-N 3.34Å; V771-E773 PolarHBondContact O-N 2.79Å; V771-A774 PolarHBondContact O-N 3.15Å; V771-I775 HydrophobicContact CG1-CD1 3.97Å; V771-I775 VanDerWaalsContact O-CG1 3.29Å; V771-I775 WeakPolarHBondContact O-CG1 3.08Å; V771-I775 PolarHBondContact O-N 3.46Å; V771-I781 HydrophobicContact CG1-CD1 4.24Å; V771-I781 HydrophobicContact CG2-CG2 4.32Å; V771-L816 HydrophobicContact CG2-CD1 3.87Å; V771-I819 HydrophobicContact CB-CG2 4.49Å; V771-I819 HydrophobicContact CG2-CG2 4.2Å; V771-A820 HydrophobicContact CG1-CB 4.46Å; V771-Q823 HydrophobicContact CG1-CB 3.63Å; V771-Q823 HydrophobicContact CG1-CG 3.7Å
772R94.2Very high93.7Very high140 Ų14050.8 Ų50.853%0.52828%0.281SS..Hα-helixtrans-63.1-42.9-179.8-171.7178.9-56.8166.110.3111.6Q768 A769 C770 I775 K776 Q823Q768-R772 PolarHBondContact O-N 2.99Å; Q768-R772 VanDerWaalsContact O-N 3.16Å; A769-R772 PolarHBondContact O-N 3.32Å; C770-R772 VanDerWaalsContact C-N 3.33Å; C770-R772 PolarHBondContact O-N 3.19Å; R772-I775 PolarHBondContact O-N 3.36Å; R772-K776 PolarHBondContact O-N 3.13Å; R772-K776 VanDerWaalsContact O-N 3.11Å; R772-Q823 VanDerWaalsContact NE-OE1 3.07Å
773E92.9Very high94.1Very high46 Ų4650.7 Ų50.722%0.21528%0.28CS..Hα-helixtrans-70.6-36179.4-161.361.3-148.800111.8A744 L747 A769 C770 V771 K776 N777A744-E773 HydrophobicContact CB-CG 4.34Å; L747-E773 HydrophobicContact CD1-CB 3.58Å; L747-E773 HydrophobicContact CD1-CG 3.52Å; A769-E773 PolarHBondContact O-N 2.95Å; C770-E773 PolarHBondContact O-N 2.98Å; V771-E773 VanDerWaalsContact C-N 3.34Å; V771-E773 PolarHBondContact O-N 2.79Å; E773-K776 PolarHBondContact O-N 2.93Å; E773-K776 IonicContact OE1-NZ 2.99Å; E773-K776 PolarHBondContact OE1-NZ 3.43Å; E773-K776 IonicContact OE2-NZ 3.82Å; E773-K776 PolarHBondContact OE2-NZ 2.76Å; E773-N777 PolarHBondContact O-N 2.89Å; E773-N777 VanDerWaalsContact O-N 3.11Å; E773-N777 PolarHBondContact O-ND2 2.86Å; E773-N777 PolarHBondContact OE1-ND2 2.9Å
774A93.8Very high94.3Very high0 Ų047.7 Ų47.70%026%0.264CS..Hα-helixtrans-62.7-44.7173.900000111.9L747 C770 V771 K776 N777 G778 V779 I781L747-A774 HydrophobicContact CD2-CB 4.16Å; C770-A774 WeakPolarHBondContact O-CB 3.49Å; C770-A774 PolarHBondContact O-N 3.01Å; V771-A774 PolarHBondContact O-N 3.15Å; A774-K776 VanDerWaalsContact C-N 3.33Å; A774-K776 PolarHBondContact O-N 3.01Å; A774-N777 CarbonylContact O-C 3.59Å; A774-N777 PolarHBondContact O-N 3.09Å; A774-G778 PolarHBondContact O-N 3.38Å; A774-V779 HydrophobicContact CB-CB 4.19Å; A774-V779 PolarHBondContact O-N 3.47Å; A774-I781 HydrophobicContact CB-CG1 3.94Å
775I93.9Very high94.5Very high69 Ų6944.6 Ų44.635%0.35424%0.238SC..Hα-helixtrans-59.4-45.9175.5-67.9167.8000110.7V771 R772 N777 G778 I781 Q823V771-I775 HydrophobicContact CG1-CD1 3.97Å; V771-I775 VanDerWaalsContact O-CG1 3.29Å; V771-I775 WeakPolarHBondContact O-CG1 3.08Å; V771-I775 PolarHBondContact O-N 3.46Å; R772-I775 PolarHBondContact O-N 3.36Å; I775-N777 PolarHBondContact O-N 2.93Å; I775-G778 PolarHBondContact O-N 2.97Å; I775-G778 VanDerWaalsContact O-N 3.17Å; I775-I781 HydrophobicContact CD1-CD1 4.49Å; I775-I781 HydrophobicContact CG1-CD1 3.96Å; I775-Q823 HydrophobicContact CD1-CB 3.87Å; I775-Q823 WeakPolarHBondContact CD1-O 3.27Å
776K93.7Very high94.7Very high149 Ų14937.3 Ų37.365%0.64820%0.204SC*.Hα-helixtrans-58.9-35178.9175.5-179.3160.1-146.60112.7R772 E773 A774R772-K776 PolarHBondContact O-N 3.13Å; R772-K776 VanDerWaalsContact O-N 3.11Å; E773-K776 PolarHBondContact O-N 2.93Å; E773-K776 IonicContact OE1-NZ 2.99Å; E773-K776 PolarHBondContact OE1-NZ 3.43Å; E773-K776 IonicContact OE2-NZ 3.82Å; E773-K776 PolarHBondContact OE2-NZ 2.76Å; A774-K776 VanDerWaalsContact C-N 3.33Å; A774-K776 PolarHBondContact O-N 3.01Å
777N92.6Very high95Very high57 Ų5734.8 Ų34.831%0.30519%0.192SC..Hα-helixtrans-94.2-0.5-179.6-70.1-76.7000113.9L747 E773 A774 I775 V779L747-N777 HydrophobicContact CB-CB 4.43Å; L747-N777 WeakPolarHBondContact O-CB 3.5Å; E773-N777 PolarHBondContact O-N 2.89Å; E773-N777 VanDerWaalsContact O-N 3.11Å; E773-N777 PolarHBondContact O-ND2 2.86Å; E773-N777 PolarHBondContact OE1-ND2 2.9Å; A774-N777 CarbonylContact O-C 3.59Å; A774-N777 PolarHBondContact O-N 3.09Å; I775-N777 PolarHBondContact O-N 2.93Å; N777-V779 VanDerWaalsContact C-N 3.28Å; N777-V779 HydrophobicContact CB-CG2 3.87Å; N777-V779 PolarHBondContact O-N 3.02Å
778G92.6Very high95Very high70 Ų7037.1 Ų37.172%0.72221%0.207SC*.THydrogen-bonded Turntrans69.224.5-177.600000114A774 I775A774-G778 PolarHBondContact O-N 3.38Å; I775-G778 PolarHBondContact O-N 2.97Å; I775-G778 VanDerWaalsContact O-N 3.17Å
779V94.6Very high95Very high10 Ų1033.8 Ų33.86%0.06119%0.192CC..PPolyproline II helixtrans-85.4137.3-178.2176.30000110.4L747 V750 A753 A774 N777L747-V779 HydrophobicContact CD2-CB 4.1Å; L747-V779 HydrophobicContact CD2-CG1 3.87Å; L747-V779 HydrophobicContact CD2-CG2 4.04Å; L747-V779 WeakPolarHBondContact O-CG2 3.19Å; V750-V779 HydrophobicContact CG2-CG1 4.14Å; V750-V779 HydrophobicContact CG2-CG2 4.39Å; A753-V779 HydrophobicContact CB-CG1 3.81Å; A774-V779 HydrophobicContact CB-CB 4.19Å; A774-V779 PolarHBondContact O-N 3.47Å; N777-V779 VanDerWaalsContact C-N 3.28Å; N777-V779 HydrophobicContact CB-CG2 3.87Å; N777-V779 PolarHBondContact O-N 3.02Å
780A96.7Very high95Very high17 Ų1737.4 Ų37.414%0.1419%0.193CC..EExtended strand (participates in β ladder)trans-68.6131.5176.100000111.4S751 S752 A753 R828 A971S751-A780 PolarHBondContact O-N 3.37Å; S752-A780 CarbonylContact C-O 3.53Å; S752-A780 WeakPolarHBondContact CA-O 3.44Å; A753-A780 PolarHBondContact N-O 3.28Å; A780-R828 HydrophobicContact CB-CB 4.34Å; A780-R828 HydrophobicContact CB-CG 4.18Å; A780-A971 HydrophobicContact CB-CB 3.66Å
781I97.2Very high94.9Very high5 Ų545.5 Ų45.53%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-94.2128.6-174.1-59.8165.9000109.7I755 V771 A774 I775 L816 M827 R828I755-I781 HydrophobicContact CD1-CG2 3.97Å; V771-I781 HydrophobicContact CG1-CD1 4.24Å; V771-I781 HydrophobicContact CG2-CG2 4.32Å; A774-I781 HydrophobicContact CB-CG1 3.94Å; I775-I781 HydrophobicContact CD1-CD1 4.49Å; I775-I781 HydrophobicContact CG1-CD1 3.96Å; I781-L816 HydrophobicContact CG2-CD2 4.33Å; I781-M827 CarbonylContact O-C 3.49Å; I781-M827 WeakPolarHBondContact O-CA 3.25Å; I781-R828 PolarHBondContact O-N 3.3Å
782G97.3Very high94.8Very high0 Ų049.6 Ų49.60%025%0.252CS..EExtended strand (participates in β ladder)trans-135.9155.7173.300000114.3A753 I755 L816 H829A753-G782 PolarHBondContact O-N 2.86Å; I755-G782 PolarHBondContact N-O 2.75Å; G782-L816 WeakPolarHBondContact O-CD2 3.33Å; G782-H829 CarbonylContact C-O 3.59Å; G782-H829 WeakPolarHBondContact CA-CE1 3.34Å; G782-H829 WeakPolarHBondContact CA-O 2.93Å; G782-H829 PolarHBondContact N-CE1 3.49Å; G782-H829 VanDerWaalsContact N-CE1 3.31Å
783A97.9Very high94.6Very high0 Ų045.5 Ų45.50%024%0.238CC..EExtended strand (participates in β ladder)trans-83.9138.2177.400000111.5P785 I813 L816 M827 H829 V830 K831A783-P785 WeakPolarHBondContact O-CD 3.31Å; A783-I813 HydrophobicContact CB-CG1 4.23Å; A783-L816 VanDerWaalsContact CA-CD2 3.43Å; A783-L816 HydrophobicContact CB-CB 4.49Å; A783-L816 HydrophobicContact CB-CD2 3.85Å; A783-M827 HydrophobicContact CB-SD 3.98Å; A783-H829 PolarHBondContact N-O 3.34Å; A783-V830 HydrophobicContact CB-CG1 4.47Å; A783-V830 HydrophobicContact CB-CG2 4.31Å; A783-K831 PolarHBondContact O-N 3.27Å
784H96.5Very high94.5Very high1 Ų143.3 Ų43.31%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-113.972176.1-153.340.5000111.7D735 N754 I755 C757 H760 K831 P832 H833D735-H784 IonicContact OD1-CE1 2.98Å; D735-H784 IonicContact OD1-NE2 3.07Å; D735-H784 IonicContact OD2-NE2 3.66Å; N754-H784 HydrophobicContact CB-CB 3.93Å; I755-H784 WeakPolarHBondContact O-CB 3.49Å; I755-H784 PolarHBondContact O-N 2.83Å; C757-H784 PolarHBondContact SG-N 3.07Å; C757-H784 VanDerWaalsContact SG-N 3.41Å; H760-H784 PolarHBondContact CE1-O 3.43Å; H760-H784 AromaticContact NE2-CD2 3.89Å; H784-K831 WeakPolarHBondContact CA-O 3.32Å; H784-K831 PolarHBondContact ND1-O 3.07Å; H784-P832 PolarHBondContact CE1-O 3.47Å; H784-H833 AromaticContact CD2-CG 3.91Å; H784-H833 AromaticContact CD2-ND1 3.79Å; H784-H833 AromaticContact CE1-ND1 3.86Å; H784-H833 WeakPolarHBondContact NE2-CB 3.39Å; H784-H833 AromaticContact NE2-CG 3.52Å; H784-H833 AromaticContact NE2-ND1 3.07Å; H784-H833 PolarHBondContact NE2-ND1 2.87Å
785P97.4Very high94.3Very high0 Ų048.5 Ų48.50%025%0.247CC..  trans-73.8146.5-17829.7-35.6000112.3A783 T809 Q812 V830 K831 P832 H833A783-P785 WeakPolarHBondContact O-CD 3.31Å; P785-T809 HydrophobicContact CG-CG2 4.33Å; P785-Q812 VanDerWaalsContact CA-OE1 3.28Å; P785-Q812 HydrophobicContact CB-CB 3.88Å; P785-Q812 HydrophobicContact CB-CG 4.44Å; P785-V830 HydrophobicContact CG-CG1 3.88Å; P785-K831 WeakPolarHBondContact CD-O 3.41Å; P785-P832 CarbonylContact O-C 3.5Å; P785-P832 WeakPolarHBondContact O-CA 3.04Å; P785-H833 PolarHBondContact O-N 3.26Å
786S97.3Very high94.2Very high1 Ų147 Ų471%0.00724%0.243CC..  trans-133.7175.8176.969.60000112.6F759 H760 Q812F759-S786 VanDerWaalsContact CB-OG 3.23Å; F759-S786 WeakPolarHBondContact CB-OG 3.44Å; F759-S786 WeakPolarHBondContact CD2-O 3.37Å; H760-S786 VanDerWaalsContact CB-OG 3.31Å; H760-S786 WeakPolarHBondContact CB-OG 3.21Å; H760-S786 PolarHBondContact N-OG 2.81Å; H760-S786 VanDerWaalsContact ND1-CB 3.34Å; H760-S786 WeakPolarHBondContact ND1-CB 3.23Å; H760-S786 PolarHBondContact ND1-OG 2.99Å; S786-Q812 PolarHBondContact O-NE2 3.49Å
787F97Very high94.1Very high3 Ų343.5 Ų43.51%0.01324%0.242CC..  trans-62.3152.4158.1-73.6-52.6000111.2D789 M798 L800 V805 M835 L836 L846F787-D789 HydrophobicContact CB-CB 4.41Å; F787-D789 PolarHBondContact O-N 2.91Å; F787-M798 HydrophobicContact CB-CG 4.5Å; F787-M798 HydrophobicContact CB-SD 3.76Å; F787-M798 HydrophobicContact CD1-CB 4.09Å; F787-M798 HydrophobicContact CD1-SD 4.16Å; F787-M798 HydrophobicContact CD2-CB 4.22Å; F787-M798 HydrophobicContact CD2-CG 4.36Å; F787-M798 HydrophobicContact CE1-CB 4.07Å; F787-M798 HydrophobicContact CE2-CB 4.21Å; F787-M798 HydrophobicContact CG-CB 4.18Å; F787-M798 HydrophobicContact CG-CG 4.23Å; F787-M798 HydrophobicContact CG-SD 3.96Å; F787-M798 HydrophobicContact CZ-CB 4.13Å; F787-L800 HydrophobicContact CD1-CD1 3.79Å; F787-L800 HydrophobicContact CE1-CD1 3.91Å; F787-L800 HydrophobicContact CE1-CG 4.42Å; F787-V805 HydrophobicContact CE1-CG2 4.39Å; F787-M835 HydrophobicContact CD2-CB 4.18Å; F787-M835 HydrophobicContact CE2-CB 4.34Å; F787-M835 HydrophobicContact CE2-CG 4.32Å; F787-L836 HydrophobicContact CD1-CD1 4.23Å; F787-L836 HydrophobicContact CD2-CB 4.03Å; F787-L836 HydrophobicContact CE1-CD1 3.75Å; F787-L836 HydrophobicContact CE2-CB 4.05Å; F787-L836 HydrophobicContact CE2-CD1 4.2Å; F787-L836 HydrophobicContact CG-CB 4.38Å; F787-L836 HydrophobicContact CZ-CB 4.44Å; F787-L836 HydrophobicContact CZ-CD1 3.73Å; F787-L846 HydrophobicContact CZ-CD2 4.45Å
788P95.1Very high94.1Very high60 Ų6043 Ų4339%0.3924%0.238SC..SBendtrans-74.570.6177.232.7-36.1000110.9F759F759-P788 HydrophobicContact CD2-CB 3.69Å; F759-P788 HydrophobicContact CD2-CG 4.41Å; F759-P788 HydrophobicContact CE2-CB 3.89Å; F759-P788 HydrophobicContact CE2-CG 4.45Å; F759-P788 HydrophobicContact CG-CB 4.28Å
789D94Very high94.1Very high10 Ų1046.6 Ų46.65%0.05324%0.236CC..  trans-137.354.6-168.9-17929.8000110.4F759 F787 E791 N792 F793 G794 R795 S796 M798F759-D789 PolarHBondContact O-N 2.84Å; F787-D789 HydrophobicContact CB-CB 4.41Å; F787-D789 PolarHBondContact O-N 2.91Å; D789-E791 PolarHBondContact O-N 3.42Å; D789-N792 CarbonylContact O-C 3.58Å; D789-N792 PolarHBondContact O-N 3.15Å; D789-N792 WeakPolarHBondContact OD1-CB 3.46Å; D789-N792 PolarHBondContact OD1-ND2 3.18Å; D789-N792 WeakPolarHBondContact OD2-CB 3.47Å; D789-F793 PolarHBondContact O-N 2.86Å; D789-G794 PolarHBondContact O-N 3.03Å; D789-R795 PolarHBondContact OD2-N 3.18Å; D789-S796 PolarHBondContact OD1-OG 2.84Å; D789-S796 WeakPolarHBondContact OD2-CA 3.36Å; D789-S796 WeakPolarHBondContact OD2-CB 3.36Å; D789-S796 PolarHBondContact OD2-N 3.35Å; D789-S796 PolarHBondContact OD2-OG 3.46Å; D789-M798 HydrophobicContact CB-CE 3.61Å
790R93.1Very high94Very high133 Ų13348.3 Ų48.350%0.50225%0.245SC..G310 helixtrans-60.3-36.5-174.4-165.3174.8-176.3112-1.6112.4G758 F759 G762 N792 F793G758-R790 PolarHBondContact O-NH1 3.36Å; F759-R790 WeakPolarHBondContact O-CA 3.37Å; F759-R790 WeakPolarHBondContact O-CB 3.4Å; F759-R790 PolarHBondContact O-N 2.78Å; F759-R790 VanDerWaalsContact O-N 3.14Å; G762-R790 PolarHBondContact O-NH1 3.42Å; G762-R790 PolarHBondContact O-NH2 2.96Å; G762-R790 VanDerWaalsContact O-NH2 3.11Å; R790-N792 VanDerWaalsContact C-N 3.28Å; R790-N792 PolarHBondContact O-N 2.74Å; R790-F793 PolarHBondContact O-N 3.39Å
791E91.4Very high94Very high185 Ų18551.1 Ų51.186%0.86426%0.262SS*.G310 helixtrans-62.4-33.9-179.2-65.1165.7-177.600112.5D789D789-E791 PolarHBondContact O-N 3.42Å
792N90.8Very high93.9Very high85 Ų8553.4 Ų53.446%0.45528%0.277SS..G310 helixtrans-11221.2177-47.6-81.8000112.1D789 R790 G794 R795 S796D789-N792 CarbonylContact O-C 3.58Å; D789-N792 PolarHBondContact O-N 3.15Å; D789-N792 WeakPolarHBondContact OD1-CB 3.46Å; D789-N792 PolarHBondContact OD1-ND2 3.18Å; D789-N792 WeakPolarHBondContact OD2-CB 3.47Å; R790-N792 VanDerWaalsContact C-N 3.28Å; R790-N792 PolarHBondContact O-N 2.74Å; N792-G794 VanDerWaalsContact C-N 3.26Å; N792-G794 PolarHBondContact O-N 3.33Å; N792-R795 VanDerWaalsContact O-CB 3.24Å; N792-R795 WeakPolarHBondContact O-CB 3.36Å; N792-R795 WeakPolarHBondContact O-CG 3.29Å; N792-R795 PolarHBondContact O-N 3.44Å; N792-S796 WeakPolarHBondContact CB-OG 3.38Å; N792-S796 PolarHBondContact ND2-OG 3.14Å
793F90.9Very high93.9Very high55 Ų5558.5 Ų58.524%0.24130%0.301CS..THydrogen-bonded Turntrans58.532.5174.6-150.2-103.2000114.4E738 A761 D789 R790 R795 H833E738-F793 HydrophobicContact CB-CZ 3.84Å; E738-F793 VanDerWaalsContact CD-CE1 3.49Å; E738-F793 HydrophobicContact CG-CE1 4.43Å; E738-F793 HydrophobicContact CG-CZ 3.88Å; E738-F793 WeakPolarHBondContact OE1-CE1 3.34Å; E738-F793 VanDerWaalsContact OE2-CE1 3.29Å; E738-F793 WeakPolarHBondContact OE2-CE1 3.4Å; E738-F793 WeakPolarHBondContact OE2-CZ 3.41Å; A761-F793 HydrophobicContact CB-CD2 4.43Å; A761-F793 HydrophobicContact CB-CE2 3.77Å; A761-F793 HydrophobicContact CB-CZ 4.13Å; D789-F793 PolarHBondContact O-N 2.86Å; R790-F793 PolarHBondContact O-N 3.39Å; F793-R795 VanDerWaalsContact C-N 3.31Å; F793-R795 HydrophobicContact CB-CG 4.48Å; F793-R795 PolarHBondContact O-N 3.23Å; F793-H833 AromaticContact CD1-NE2 3.57Å; F793-H833 AromaticContact CE1-NE2 3.87Å; F793-H833 PolarHBondContact O-CD2 2.8Å; F793-H833 PolarHBondContact O-NE2 3.2Å
794G91.1Very high93.9Very high0 Ų060.9 Ų60.90%032%0.315CS..THydrogen-bonded Turntrans76.313.4-178.600000114.5D789 N792 M835D789-G794 PolarHBondContact O-N 3.03Å; N792-G794 VanDerWaalsContact C-N 3.26Å; N792-G794 PolarHBondContact O-N 3.33Å; G794-M835 WeakPolarHBondContact O-CB 3.46Å; G794-M835 PolarHBondContact O-N 3.28Å
795R89.6Confident94Very high108 Ų10860.9 Ų60.941%0.40832%0.315SS..  trans-99.8-5.4-169.1-61173.9176.5166.4-1.9114D789 N792 F793 M835 D947D789-R795 PolarHBondContact OD2-N 3.18Å; N792-R795 VanDerWaalsContact O-CB 3.24Å; N792-R795 WeakPolarHBondContact O-CB 3.36Å; N792-R795 WeakPolarHBondContact O-CG 3.29Å; N792-R795 PolarHBondContact O-N 3.44Å; F793-R795 VanDerWaalsContact C-N 3.31Å; F793-R795 HydrophobicContact CB-CG 4.48Å; F793-R795 PolarHBondContact O-N 3.23Å; R795-M835 VanDerWaalsContact O-CE 3.28Å; R795-M835 WeakPolarHBondContact O-CE 3.34Å; R795-D947 IonicContact NH2-OD2 3.73Å
796S91Very high94Very high38 Ų3863.6 Ų63.627%0.26633%0.326SS..SBendtrans-79.7137.9176.1-50.60000111.6D789 N792 M835D789-S796 PolarHBondContact OD1-OG 2.84Å; D789-S796 WeakPolarHBondContact OD2-CA 3.36Å; D789-S796 WeakPolarHBondContact OD2-CB 3.36Å; D789-S796 PolarHBondContact OD2-N 3.35Å; D789-S796 PolarHBondContact OD2-OG 3.46Å; N792-S796 WeakPolarHBondContact CB-OG 3.38Å; N792-S796 PolarHBondContact ND2-OG 3.14Å; S796-M835 WeakPolarHBondContact O-CB 3.45Å; S796-M835 WeakPolarHBondContact O-CG 3.29Å
797A91.5Very high94Very high75 Ų7566.1 Ų66.162%0.6235%0.347SS*.  trans-67.4133171.100000110.2M835A797-M835 VanDerWaalsContact CA-CG 3.5Å; A797-M835 HydrophobicContact CB-CE 4.38Å; A797-M835 HydrophobicContact CB-CG 4.12Å; A797-M835 HydrophobicContact CB-SD 4.4Å
798M93.7Very high94.1Very high47 Ų4768 Ų6823%0.23236%0.356CS..  trans-132.9138.6178.2-65.1-169.2174.800109.6F787 D789 L800 Q839F787-M798 HydrophobicContact CB-CG 4.5Å; F787-M798 HydrophobicContact CB-SD 3.76Å; F787-M798 HydrophobicContact CD1-CB 4.09Å; F787-M798 HydrophobicContact CD1-SD 4.16Å; F787-M798 HydrophobicContact CD2-CB 4.22Å; F787-M798 HydrophobicContact CD2-CG 4.36Å; F787-M798 HydrophobicContact CE1-CB 4.07Å; F787-M798 HydrophobicContact CE2-CB 4.21Å; F787-M798 HydrophobicContact CG-CB 4.18Å; F787-M798 HydrophobicContact CG-CG 4.23Å; F787-M798 HydrophobicContact CG-SD 3.96Å; F787-M798 HydrophobicContact CZ-CB 4.13Å; D789-M798 HydrophobicContact CB-CE 3.61Å; M798-L800 HydrophobicContact CB-CG 4.23Å; M798-Q839 PolarHBondContact O-NE2 2.91Å; M798-Q839 PolarHBondContact O-OE1 3.43Å
799Q92.1Very high94.2Very high145 Ų14565.3 Ų65.368%0.67834%0.338SS*.  trans-107.196.3166.8-82.5-59.8-3.500109.9E843Q799-E843 PolarHBondContact NE2-OE2 3.29Å
800L93.4Very high94.4Very high46 Ų4667.5 Ų67.524%0.24135%0.349CS..  trans-106.7147177.9-62.6178.9000109.5F787 M798 T804 V805F787-L800 HydrophobicContact CD1-CD1 3.79Å; F787-L800 HydrophobicContact CE1-CD1 3.91Å; F787-L800 HydrophobicContact CE1-CG 4.42Å; M798-L800 HydrophobicContact CB-CG 4.23Å; L800-T804 HydrophobicContact CB-CG2 4.4Å; L800-T804 HydrophobicContact CD1-CG2 4.33Å; L800-V805 HydrophobicContact CB-CG2 3.83Å; L800-V805 HydrophobicContact CD1-CG2 4.48Å
801P96.2Very high94.6Very high77 Ų7768.4 Ų68.450%0.535%0.354SS..  trans-53.7139.7171-24.733.8000111.1E803 T804 V805P801-E803 PolarHBondContact O-N 3.41Å; P801-E803 VanDerWaalsContact O-N 3.09Å; P801-T804 WeakPolarHBondContact O-CA 3.32Å; P801-T804 VanDerWaalsContact O-CB 3.26Å; P801-T804 WeakPolarHBondContact O-CB 3.44Å; P801-T804 PolarHBondContact O-N 3.49Å; P801-V805 PolarHBondContact O-N 3.42Å; P801-V805 VanDerWaalsContact O-N 3.15Å
802P95.2Very high94.9Very high52 Ų5259.6 Ų59.634%0.33831%0.313SS..Hα-helixtrans-53.5-35.2-179.5-29.735.5000113.9T804 V805 Y806 Q845 A849P802-T804 VanDerWaalsContact C-N 3.34Å; P802-T804 PolarHBondContact O-N 2.94Å; P802-V805 PolarHBondContact O-N 3.32Å; P802-Y806 WeakPolarHBondContact O-CB 3.42Å; P802-Y806 PolarHBondContact O-N 3.33Å; P802-Q845 HydrophobicContact CG-CB 4.38Å; P802-A849 HydrophobicContact CB-CB 4.21Å; P802-A849 WeakPolarHBondContact O-CB 3.39Å
803E97.5Very high95.3Very high108 Ų10855.6 Ų55.651%0.50529%0.291SS..Hα-helixtrans-66.3-33.9175.6-66.5-57.5144.600113P801 A807 R852P801-E803 PolarHBondContact O-N 3.41Å; P801-E803 VanDerWaalsContact O-N 3.09Å; E803-A807 WeakPolarHBondContact O-CB 3.48Å; E803-A807 PolarHBondContact O-N 3.27Å; E803-R852 IonicContact OE1-CZ 2.76Å; E803-R852 VanDerWaalsContact OE1-CZ 3.32Å; E803-R852 IonicContact OE1-NH1 3.04Å; E803-R852 PolarHBondContact OE1-NH1 3.45Å; E803-R852 IonicContact OE1-NH2 2.71Å; E803-R852 PolarHBondContact OE1-NH2 2.88Å; E803-R852 IonicContact OE2-CZ 2.72Å; E803-R852 IonicContact OE2-NH1 3.73Å; E803-R852 IonicContact OE2-NH2 3.94Å; E803-R852 PolarHBondContact OE2-NH2 3.49Å
804T97.6Very high95.6Very high49 Ų4954.2 Ų54.230%0.30129%0.293SS..Hα-helixtrans-66.5-44.5172.8-570000110.7L800 P801 P802 A807 Q808L800-T804 HydrophobicContact CB-CG2 4.4Å; L800-T804 HydrophobicContact CD1-CG2 4.33Å; P801-T804 WeakPolarHBondContact O-CA 3.32Å; P801-T804 VanDerWaalsContact O-CB 3.26Å; P801-T804 WeakPolarHBondContact O-CB 3.44Å; P801-T804 PolarHBondContact O-N 3.49Å; P802-T804 VanDerWaalsContact C-N 3.34Å; P802-T804 PolarHBondContact O-N 2.94Å; T804-A807 PolarHBondContact O-N 2.86Å; T804-Q808 HydrophobicContact CG2-CG 4.37Å; T804-Q808 WeakPolarHBondContact O-CB 3.39Å; T804-Q808 VanDerWaalsContact O-CG 3.3Å; T804-Q808 WeakPolarHBondContact O-CG 3.36Å; T804-Q808 PolarHBondContact O-N 3.24Å
805V97.4Very high95.8Very high2 Ų255.6 Ų55.61%0.01230%0.304CS..Hα-helixtrans-63.8-43.3177.7179.30000111F787 L800 P801 P802 A807 Q808 T809 L836 L846 A849 I850F787-V805 HydrophobicContact CE1-CG2 4.39Å; L800-V805 HydrophobicContact CB-CG2 3.83Å; L800-V805 HydrophobicContact CD1-CG2 4.48Å; P801-V805 PolarHBondContact O-N 3.42Å; P801-V805 VanDerWaalsContact O-N 3.15Å; P802-V805 PolarHBondContact O-N 3.32Å; V805-A807 PolarHBondContact O-N 2.99Å; V805-Q808 PolarHBondContact O-N 2.89Å; V805-T809 WeakPolarHBondContact O-CB 3.45Å; V805-T809 PolarHBondContact O-N 3.34Å; V805-T809 PolarHBondContact O-OG1 3.38Å; V805-L836 HydrophobicContact CG1-CD1 3.95Å; V805-L846 HydrophobicContact CB-CD1 4.02Å; V805-L846 HydrophobicContact CG1-CD1 3.66Å; V805-L846 HydrophobicContact CG2-CD1 3.59Å; V805-A849 HydrophobicContact CB-CB 4.3Å; V805-A849 HydrophobicContact CG1-CB 4.38Å; V805-I850 HydrophobicContact CG1-CG1 4.12Å
806Y98.3Very high96.2Very high56 Ų5650.5 Ų50.522%0.2229%0.285CS..Hα-helixtrans-55.3-51.9173.9166.8-95.9000111.4P802 T809 L810 R852 A853 A856P802-Y806 WeakPolarHBondContact O-CB 3.42Å; P802-Y806 PolarHBondContact O-N 3.33Å; Y806-T809 PolarHBondContact O-N 2.95Å; Y806-L810 HydrophobicContact CE1-CD2 4.29Å; Y806-L810 VanDerWaalsContact O-CB 3.3Å; Y806-L810 WeakPolarHBondContact O-CB 3.23Å; Y806-L810 PolarHBondContact O-N 2.98Å; Y806-R852 HydrophobicContact CD2-CB 4.16Å; Y806-R852 HydrophobicContact CD2-CG 4.15Å; Y806-R852 HydrophobicContact CE2-CB 4.32Å; Y806-R852 HydrophobicContact CE2-CG 3.93Å; Y806-A853 HydrophobicContact CD2-CB 3.71Å; Y806-A853 HydrophobicContact CE2-CB 4.08Å; Y806-A853 HydrophobicContact CG-CB 4.49Å; Y806-A856 HydrophobicContact CE2-CB 4.32Å
807A98Very high96.5Very high54 Ų5449.6 Ų49.645%0.44628%0.28SS..Hα-helixtrans-63.8-43.6-178.300000112.6E803 T804 V805 L810 Y811E803-A807 WeakPolarHBondContact O-CB 3.48Å; E803-A807 PolarHBondContact O-N 3.27Å; T804-A807 PolarHBondContact O-N 2.86Å; V805-A807 PolarHBondContact O-N 2.99Å; A807-L810 PolarHBondContact O-N 3.17Å; A807-Y811 WeakPolarHBondContact O-CB 3.25Å; A807-Y811 PolarHBondContact O-N 2.68Å
808Q98Very high96.7Very high44 Ų4450.2 Ų50.221%0.20628%0.276CS..Hα-helixtrans-68.3-37.4179.2-72.8179.3-0.700112.7F759 T804 V805 Q812F759-Q808 HydrophobicContact CE2-CB 3.99Å; F759-Q808 HydrophobicContact CE2-CG 4Å; T804-Q808 HydrophobicContact CG2-CG 4.37Å; T804-Q808 WeakPolarHBondContact O-CB 3.39Å; T804-Q808 VanDerWaalsContact O-CG 3.3Å; T804-Q808 WeakPolarHBondContact O-CG 3.36Å; T804-Q808 PolarHBondContact O-N 3.24Å; V805-Q808 PolarHBondContact O-N 2.89Å; Q808-Q812 WeakPolarHBondContact O-CG 3.41Å; Q808-Q812 PolarHBondContact O-N 2.83Å; Q808-Q812 PolarHBondContact O-NE2 2.93Å
809T98.2Very high96.8Very high2 Ų249.5 Ų49.51%0.01227%0.273CS..Hα-helixtrans-66.5-47.3175.4-590000110.1P785 V805 Y806 Y811 Q812 I813 I850 A853P785-T809 HydrophobicContact CG-CG2 4.33Å; V805-T809 WeakPolarHBondContact O-CB 3.45Å; V805-T809 PolarHBondContact O-N 3.34Å; V805-T809 PolarHBondContact O-OG1 3.38Å; Y806-T809 PolarHBondContact O-N 2.95Å; T809-Y811 VanDerWaalsContact C-N 3.32Å; T809-Y811 PolarHBondContact O-N 2.89Å; T809-Q812 PolarHBondContact O-N 3.11Å; T809-I813 HydrophobicContact CG2-CD1 3.6Å; T809-I813 HydrophobicContact CG2-CG1 4.35Å; T809-I813 WeakPolarHBondContact O-CD1 3.31Å; T809-I813 WeakPolarHBondContact O-CG1 3.11Å; T809-I813 PolarHBondContact O-N 2.82Å; T809-I850 HydrophobicContact CG2-CG2 4.35Å; T809-A853 HydrophobicContact CG2-CB 3.79Å
810L97.8Very high97Very high56 Ų5642.6 Ų42.629%0.29324%0.241SC..Hα-helixtrans-59.1-42.1177.3-175.364.7000112.2Y806 A807 G814 A853 C857Y806-L810 HydrophobicContact CE1-CD2 4.29Å; Y806-L810 VanDerWaalsContact O-CB 3.3Å; Y806-L810 WeakPolarHBondContact O-CB 3.23Å; Y806-L810 PolarHBondContact O-N 2.98Å; A807-L810 PolarHBondContact O-N 3.17Å; L810-G814 PolarHBondContact O-N 3.33Å; L810-A853 HydrophobicContact CB-CB 4.31Å; L810-C857 HydrophobicContact CD1-CB 4.02Å
811Y97.9Very high97.2Very high153 Ų15349.5 Ų49.560%0.626%0.264SS*.Hα-helixtrans-58.8-50.5176172.4-96.2000112.3F759 A807 T809 G814 A815F759-Y811 HydrophobicContact CE1-CD1 4.01Å; F759-Y811 AromaticContact CE1-CE1 3.87Å; F759-Y811 HydrophobicContact CE1-CE1 3.87Å; F759-Y811 HydrophobicContact CZ-CD1 4.09Å; F759-Y811 HydrophobicContact CZ-CE1 4.34Å; A807-Y811 WeakPolarHBondContact O-CB 3.25Å; A807-Y811 PolarHBondContact O-N 2.68Å; T809-Y811 VanDerWaalsContact C-N 3.32Å; T809-Y811 PolarHBondContact O-N 2.89Å; Y811-G814 PolarHBondContact O-N 3.24Å; Y811-A815 PolarHBondContact O-N 3.14Å
812Q97.9Very high97.1Very high0 Ų049.5 Ų49.50%027%0.27CS..Hα-helixtrans-63.3-44.9-179-75.7179.691.600112.1C757 F759 P785 S786 Q808 T809 A815 L816C757-Q812 HydrophobicContact CB-CB 3.61Å; C757-Q812 HydrophobicContact CB-CG 3.91Å; F759-Q812 HydrophobicContact CD1-CG 4.2Å; F759-Q812 HydrophobicContact CD2-CG 4.32Å; F759-Q812 HydrophobicContact CE1-CG 4.38Å; F759-Q812 HydrophobicContact CG-CG 4.18Å; P785-Q812 VanDerWaalsContact CA-OE1 3.28Å; P785-Q812 HydrophobicContact CB-CB 3.88Å; P785-Q812 HydrophobicContact CB-CG 4.44Å; S786-Q812 PolarHBondContact O-NE2 3.49Å; Q808-Q812 WeakPolarHBondContact O-CG 3.41Å; Q808-Q812 PolarHBondContact O-N 2.83Å; Q808-Q812 PolarHBondContact O-NE2 2.93Å; T809-Q812 PolarHBondContact O-N 3.11Å; Q812-A815 PolarHBondContact O-N 3.23Å; Q812-L816 PolarHBondContact O-N 3.11Å
813I97.9Very high97.1Very high0 Ų049.6 Ų49.60%027%0.266CS..Hα-helixtrans-62.4-45.8177.3-62.7165.4000110.4A783 T809 A815 L816 A817 M827 V830 V854 C857 L861A783-I813 HydrophobicContact CB-CG1 4.23Å; T809-I813 HydrophobicContact CG2-CD1 3.6Å; T809-I813 HydrophobicContact CG2-CG1 4.35Å; T809-I813 WeakPolarHBondContact O-CD1 3.31Å; T809-I813 WeakPolarHBondContact O-CG1 3.11Å; T809-I813 PolarHBondContact O-N 2.82Å; I813-A815 VanDerWaalsContact C-N 3.32Å; I813-A815 PolarHBondContact O-N 2.9Å; I813-L816 PolarHBondContact O-N 2.62Å; I813-A817 VanDerWaalsContact O-CB 3.31Å; I813-A817 WeakPolarHBondContact O-CB 3.42Å; I813-A817 PolarHBondContact O-N 2.9Å; I813-M827 HydrophobicContact CG2-CE 3.39Å; I813-M827 HydrophobicContact CG2-SD 4.3Å; I813-V830 HydrophobicContact CD1-CG1 4Å; I813-V830 HydrophobicContact CD1-CG2 4.06Å; I813-V830 HydrophobicContact CG1-CG1 4.08Å; I813-V830 HydrophobicContact CG1-CG2 4.1Å; I813-V830 HydrophobicContact CG2-CG2 4.24Å; I813-V854 HydrophobicContact CD1-CG2 3.81Å; I813-C857 HydrophobicContact CG2-CB 3.98Å; I813-C857 WeakPolarHBondContact CG2-SG 3.4Å; I813-L861 HydrophobicContact CG2-CD1 4.41Å
814G96.7Very high96.9Very high26 Ų2647.8 Ų47.827%0.26828%0.276SS..Hα-helixtrans-62.4-36.7179.800000113.4L810 Y811 T818L810-G814 PolarHBondContact O-N 3.33Å; Y811-G814 PolarHBondContact O-N 3.24Å; G814-T818 WeakPolarHBondContact O-CB 3.35Å; G814-T818 PolarHBondContact O-N 3.42Å; G814-T818 VanDerWaalsContact O-N 3.09Å; G814-T818 PolarHBondContact O-OG1 3.05Å
815A96.5Very high96.7Very high30 Ų3046 Ų4625%0.24827%0.268CS..Hα-helixtrans-60.8-51.617600000111.4Y811 Q812 I813 T818 I819Y811-A815 PolarHBondContact O-N 3.14Å; Q812-A815 PolarHBondContact O-N 3.23Å; I813-A815 VanDerWaalsContact C-N 3.32Å; I813-A815 PolarHBondContact O-N 2.9Å; A815-T818 PolarHBondContact O-N 2.83Å; A815-I819 WeakPolarHBondContact O-CG1 3.3Å; A815-I819 PolarHBondContact O-N 3.07Å
816L97.6Very high96.5Very high0 Ų050.6 Ų50.60%030%0.296CS..Hα-helixtrans-68-41.9179.3-173.268.3000112.1I755 M767 V771 I781 G782 A783 Q812 I813 T818 I819 A820 M827I755-L816 HydrophobicContact CB-CD1 4.13Å; I755-L816 HydrophobicContact CB-CD2 4.01Å; I755-L816 HydrophobicContact CD1-CD1 4.35Å; I755-L816 HydrophobicContact CG2-CD1 3.98Å; M767-L816 HydrophobicContact CB-CD1 4.18Å; M767-L816 HydrophobicContact CG-CD1 4.1Å; M767-L816 HydrophobicContact SD-CB 4.46Å; M767-L816 HydrophobicContact SD-CD1 4.1Å; V771-L816 HydrophobicContact CG2-CD1 3.87Å; I781-L816 HydrophobicContact CG2-CD2 4.33Å; G782-L816 WeakPolarHBondContact O-CD2 3.33Å; A783-L816 VanDerWaalsContact CA-CD2 3.43Å; A783-L816 HydrophobicContact CB-CB 4.49Å; A783-L816 HydrophobicContact CB-CD2 3.85Å; Q812-L816 PolarHBondContact O-N 3.11Å; I813-L816 PolarHBondContact O-N 2.62Å; L816-T818 PolarHBondContact O-N 2.86Å; L816-I819 PolarHBondContact O-N 3.3Å; L816-I819 VanDerWaalsContact O-N 3.15Å; L816-A820 WeakPolarHBondContact O-CB 3.27Å; L816-A820 PolarHBondContact O-N 2.97Å; L816-M827 HydrophobicContact CB-SD 4.47Å; L816-M827 HydrophobicContact CD2-SD 4.26Å; L816-M827 HydrophobicContact CG-SD 4.48Å
817A96.5Very high96.4Very high19 Ų1948.8 Ų48.816%0.15729%0.289CS..Hα-helixtrans-57.3-39.4178.800000112.1I813 R821 M827I813-A817 VanDerWaalsContact O-CB 3.31Å; I813-A817 WeakPolarHBondContact O-CB 3.42Å; I813-A817 PolarHBondContact O-N 2.9Å; A817-R821 WeakPolarHBondContact O-CB 3.28Å; A817-R821 PolarHBondContact O-N 3.19Å; A817-M827 HydrophobicContact CB-CE 3.89Å; A817-M827 HydrophobicContact CB-SD 4.13Å
818T96.5Very high96.3Very high89 Ų8953.4 Ų53.455%0.54630%0.295SS..Hα-helixtrans-67.3-44.5177.3-57.40000111.5G814 A815 L816 R821 A822G814-T818 WeakPolarHBondContact O-CB 3.35Å; G814-T818 PolarHBondContact O-N 3.42Å; G814-T818 VanDerWaalsContact O-N 3.09Å; G814-T818 PolarHBondContact O-OG1 3.05Å; A815-T818 PolarHBondContact O-N 2.83Å; L816-T818 PolarHBondContact O-N 2.86Å; T818-R821 PolarHBondContact O-N 3.34Å; T818-A822 WeakPolarHBondContact O-CB 3.22Å; T818-A822 PolarHBondContact O-N 3.44Å
819I96.5Very high96.3Very high31 Ų3151.8 Ų51.816%0.15929%0.287CS..Hα-helixtrans-63.5-45.6176.6-66.7171.7000110.8M767 Q768 V771 A815 L816 R821 A822 Q823M767-I819 HydrophobicContact CB-CD1 3.67Å; M767-I819 HydrophobicContact CE-CD1 4.41Å; M767-I819 HydrophobicContact CG-CD1 4.45Å; M767-I819 HydrophobicContact SD-CD1 3.97Å; Q768-I819 HydrophobicContact CB-CG2 4.02Å; Q768-I819 HydrophobicContact CG-CG2 4.39Å; V771-I819 HydrophobicContact CB-CG2 4.49Å; V771-I819 HydrophobicContact CG2-CG2 4.2Å; A815-I819 WeakPolarHBondContact O-CG1 3.3Å; A815-I819 PolarHBondContact O-N 3.07Å; L816-I819 PolarHBondContact O-N 3.3Å; L816-I819 VanDerWaalsContact O-N 3.15Å; I819-R821 PolarHBondContact O-N 3.12Å; I819-A822 PolarHBondContact O-N 3.34Å; I819-Q823 PolarHBondContact O-N 3.2Å; I819-Q823 VanDerWaalsContact O-N 3.1Å
820A96.1Very high96.4Very high1 Ų151.7 Ų51.71%0.00829%0.287CS..Hα-helixtrans-56.7-49.9177.500000111.4V771 L816 A822 Q823 G824 G825V771-A820 HydrophobicContact CG1-CB 4.46Å; L816-A820 WeakPolarHBondContact O-CB 3.27Å; L816-A820 PolarHBondContact O-N 2.97Å; A820-A822 VanDerWaalsContact C-N 3.33Å; A820-A822 PolarHBondContact O-N 3.03Å; A820-Q823 PolarHBondContact O-N 2.94Å; A820-Q823 VanDerWaalsContact O-N 3.14Å; A820-G824 PolarHBondContact O-N 2.95Å; A820-G825 CarbonylContact C-O 3.59Å; A820-G825 WeakPolarHBondContact O-CA 3.37Å; A820-G825 PolarHBondContact O-N 3.04Å
821R96.1Very high96.3Very high191 Ų19149.1 Ų49.172%0.72127%0.273SS*.Hα-helixtrans-60.5-41.9177.3-172.3-177.8-66.6153.9-0.5112A817 T818 I819 Q823 G824A817-R821 WeakPolarHBondContact O-CB 3.28Å; A817-R821 PolarHBondContact O-N 3.19Å; T818-R821 PolarHBondContact O-N 3.34Å; I819-R821 PolarHBondContact O-N 3.12Å; R821-Q823 PolarHBondContact O-N 2.96Å; R821-G824 PolarHBondContact O-N 3.44Å
822A95.7Very high96.3Very high76 Ų7641.9 Ų41.963%0.62825%0.245SC*.Hα-helixtrans-66.3-22.3178.500000113.6T818 I819 A820T818-A822 WeakPolarHBondContact O-CB 3.22Å; T818-A822 PolarHBondContact O-N 3.44Å; I819-A822 PolarHBondContact O-N 3.34Å; A820-A822 VanDerWaalsContact C-N 3.33Å; A820-A822 PolarHBondContact O-N 3.03Å
823Q95.5Very high96.1Very high55 Ų5542.5 Ų42.526%0.25725%0.248SC..THydrogen-bonded Turntrans-93.43.6172.5-60.5-59.1-83.200113.1Q768 V771 R772 I775 I819 A820 R821 G825Q768-Q823 HydrophobicContact CG-CG 4.27Å; V771-Q823 HydrophobicContact CG1-CB 3.63Å; V771-Q823 HydrophobicContact CG1-CG 3.7Å; R772-Q823 VanDerWaalsContact NE-OE1 3.07Å; I775-Q823 HydrophobicContact CD1-CB 3.87Å; I775-Q823 WeakPolarHBondContact CD1-O 3.27Å; I819-Q823 PolarHBondContact O-N 3.2Å; I819-Q823 VanDerWaalsContact O-N 3.1Å; A820-Q823 PolarHBondContact O-N 2.94Å; A820-Q823 VanDerWaalsContact O-N 3.14Å; R821-Q823 PolarHBondContact O-N 2.96Å; Q823-G825 VanDerWaalsContact C-N 3.34Å
824G93.3Very high95.8Very high69 Ų6943.3 Ų43.371%0.71126%0.256SS*.THydrogen-bonded Turntrans8011.6-177.300000114.7A820 R821A820-G824 PolarHBondContact O-N 2.95Å; R821-G824 PolarHBondContact O-N 3.44Å
825G91.8Very high95.6Very high13 Ų1344.4 Ų44.413%0.13426%0.255CS..  trans-92169.7175.400000113.3A820 Q823A820-G825 CarbonylContact C-O 3.59Å; A820-G825 WeakPolarHBondContact O-CA 3.37Å; A820-G825 PolarHBondContact O-N 3.04Å; Q823-G825 VanDerWaalsContact C-N 3.34Å
826V93.4Very high95.6Very high98 Ų9843.1 Ų43.159%0.59424%0.244SC*.  trans-127.6124.2174.2-179.50000108.2
827M96.2Very high95.4Very high17 Ų1743.5 Ų43.58%0.08425%0.246CC..EExtended strand (participates in β ladder)trans-70.2136.2172.7-169175.774.600109.6I781 A783 I813 L816 A817 L861I781-M827 CarbonylContact O-C 3.49Å; I781-M827 WeakPolarHBondContact O-CA 3.25Å; A783-M827 HydrophobicContact CB-SD 3.98Å; I813-M827 HydrophobicContact CG2-CE 3.39Å; I813-M827 HydrophobicContact CG2-SD 4.3Å; L816-M827 HydrophobicContact CB-SD 4.47Å; L816-M827 HydrophobicContact CD2-SD 4.26Å; L816-M827 HydrophobicContact CG-SD 4.48Å; A817-M827 HydrophobicContact CB-CE 3.89Å; A817-M827 HydrophobicContact CB-SD 4.13Å; M827-L861 HydrophobicContact CB-CD2 4.36Å; M827-L861 HydrophobicContact CE-CD1 3.51Å; M827-L861 HydrophobicContact CE-CD2 3.66Å; M827-L861 HydrophobicContact CE-CG 4.24Å; M827-L861 HydrophobicContact CG-CD2 4.12Å; M827-L861 WeakPolarHBondContact O-CD2 3.45Å
828R97Very high95.2Very high152 Ų15245.4 Ų45.457%0.57425%0.253SS*.EExtended strand (participates in β ladder)trans-113.7-32-172.3-64.4-58.4-171.891.71113.4A780 I781 V862A780-R828 HydrophobicContact CB-CB 4.34Å; A780-R828 HydrophobicContact CB-CG 4.18Å; I781-R828 PolarHBondContact O-N 3.3Å; R828-V862 PolarHBondContact O-N 3.4Å
829H98.1Very high95.1Very high9 Ų942 Ų424%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-147.4168.7-17368.7-77.7000113.6A753 N754 G782 A783 V862 V864A753-H829 PolarHBondContact O-CE1 3.01Å; N754-H829 PolarHBondContact OD1-CD2 2.95Å; N754-H829 PolarHBondContact OD1-NE2 3.28Å; G782-H829 CarbonylContact C-O 3.59Å; G782-H829 WeakPolarHBondContact CA-CE1 3.34Å; G782-H829 WeakPolarHBondContact CA-O 2.93Å; G782-H829 PolarHBondContact N-CE1 3.49Å; G782-H829 VanDerWaalsContact N-CE1 3.31Å; A783-H829 PolarHBondContact N-O 3.34Å; H829-V862 CarbonylContact C-O 3.58Å; H829-V862 WeakPolarHBondContact CA-O 3.31Å; H829-V862 HydrophobicContact CB-CB 3.91Å; H829-V862 HydrophobicContact CB-CG1 4.5Å; H829-V862 WeakPolarHBondContact CB-O 3.31Å; H829-V864 HydrophobicContact CB-CG2 4.18Å
830V98.4Very high95.1Very high0 Ų040.5 Ų40.50%022%0.223CC..EExtended strand (participates in β ladder)trans-134.3129173.4-178.30000108.6A783 P785 I813 V854 L861 V862 V864A783-V830 HydrophobicContact CB-CG1 4.47Å; A783-V830 HydrophobicContact CB-CG2 4.31Å; P785-V830 HydrophobicContact CG-CG1 3.88Å; I813-V830 HydrophobicContact CD1-CG1 4Å; I813-V830 HydrophobicContact CD1-CG2 4.06Å; I813-V830 HydrophobicContact CG1-CG1 4.08Å; I813-V830 HydrophobicContact CG1-CG2 4.1Å; I813-V830 HydrophobicContact CG2-CG2 4.24Å; V830-V854 HydrophobicContact CB-CG2 3.89Å; V830-V854 HydrophobicContact CG1-CG2 3.92Å; V830-V854 HydrophobicContact CG2-CG1 4.22Å; V830-V854 HydrophobicContact CG2-CG2 3.99Å; V830-L861 HydrophobicContact CG2-CD1 4.2Å; V830-V862 PolarHBondContact N-O 2.73Å; V830-V864 PolarHBondContact O-N 3.06Å
831K97.6Very high95Very high3 Ų341.1 Ų41.11%0.01323%0.228CC..  trans-129.3112.6175.6179.8-165.9169.7-179.40108.5N733 D735 N754 A783 H784 P785 Y837 V864 E885 C943N733-K831 PolarHBondContact OD1-NZ 2.76Å; D735-K831 IonicContact OD1-NZ 3.95Å; D735-K831 PolarHBondContact OD1-NZ 3.15Å; D735-K831 IonicContact OD2-NZ 3.93Å; D735-K831 PolarHBondContact OD2-NZ 3.2Å; N754-K831 HydrophobicContact CB-CD 4.22Å; N754-K831 VanDerWaalsContact CG-CD 3.42Å; N754-K831 WeakPolarHBondContact ND2-CD 3.43Å; N754-K831 PolarHBondContact ND2-NZ 2.95Å; A783-K831 PolarHBondContact O-N 3.27Å; H784-K831 WeakPolarHBondContact CA-O 3.32Å; H784-K831 PolarHBondContact ND1-O 3.07Å; P785-K831 WeakPolarHBondContact CD-O 3.41Å; K831-Y837 HydrophobicContact CG-CD2 4.42Å; K831-Y837 HydrophobicContact CG-CE2 4.26Å; K831-V864 HydrophobicContact CB-CB 3.92Å; K831-V864 HydrophobicContact CB-CG1 4.35Å; K831-V864 HydrophobicContact CB-CG2 4.5Å; K831-V864 HydrophobicContact CG-CB 4.19Å; K831-V864 HydrophobicContact CG-CG1 4.12Å; K831-E885 WeakPolarHBondContact CE-OE1 3.07Å; K831-E885 WeakPolarHBondContact CE-OE2 3.41Å; K831-E885 IonicContact NZ-OE1 3.05Å; K831-E885 IonicContact NZ-OE2 3.63Å; K831-E885 PolarHBondContact NZ-OE2 2.9Å; K831-E885 VanDerWaalsContact NZ-OE2 3.15Å; K831-C943 PolarHBondContact NZ-SG 2.89Å
832P97.1Very high94.9Very high1 Ų138.4 Ų38.41%0.00622%0.222CC..  trans-59.1153.1174.1-24.335.3000112.5H784 P785 L836 Y837 I850 L871H784-P832 PolarHBondContact CE1-O 3.47Å; P785-P832 CarbonylContact O-C 3.5Å; P785-P832 WeakPolarHBondContact O-CA 3.04Å; P832-L836 HydrophobicContact CB-CB 4.48Å; P832-L836 HydrophobicContact CB-CD2 4.12Å; P832-L836 HydrophobicContact CB-CG 4.08Å; P832-Y837 HydrophobicContact CB-CD2 4.41Å; P832-Y837 WeakPolarHBondContact O-CB 3.38Å; P832-Y837 WeakPolarHBondContact O-CD2 3.4Å; P832-I850 HydrophobicContact CG-CD1 4.19Å; P832-I850 HydrophobicContact CG-CG2 4.01Å; P832-L871 HydrophobicContact CG-CD2 3.93Å
833H94.4Very high94.9Very high13 Ų1337.8 Ų37.86%0.0621%0.206CC..  trans-102.3154.8178.717855.3000112.3E738 H760 H784 P785 F793 M835 L836 Y837E738-H833 IonicContact OE1-CE1 3.04Å; H760-H833 AromaticContact CD2-CD2 3.34Å; H760-H833 PolarHBondContact CD2-CD2 3.44Å; H760-H833 AromaticContact CD2-CG 3.97Å; H760-H833 AromaticContact CD2-NE2 3.38Å; H760-H833 PolarHBondContact CD2-NE2 3.09Å; H760-H833 AromaticContact CE1-CD2 3.98Å; H760-H833 AromaticContact CG-CD2 3.2Å; H760-H833 AromaticContact CG-NE2 3.65Å; H760-H833 AromaticContact ND1-CD2 3.64Å; H760-H833 AromaticContact NE2-CD2 3.88Å; H784-H833 AromaticContact CD2-CG 3.91Å; H784-H833 AromaticContact CD2-ND1 3.79Å; H784-H833 AromaticContact CE1-ND1 3.86Å; H784-H833 WeakPolarHBondContact NE2-CB 3.39Å; H784-H833 AromaticContact NE2-CG 3.52Å; H784-H833 AromaticContact NE2-ND1 3.07Å; H784-H833 PolarHBondContact NE2-ND1 2.87Å; P785-H833 PolarHBondContact O-N 3.26Å; F793-H833 AromaticContact CD1-NE2 3.57Å; F793-H833 AromaticContact CE1-NE2 3.87Å; F793-H833 PolarHBondContact O-CD2 2.8Å; F793-H833 PolarHBondContact O-NE2 3.2Å; H833-M835 PolarHBondContact O-N 3.41Å; H833-L836 WeakPolarHBondContact O-CB 3.47Å; H833-L836 PolarHBondContact O-N 3.37Å; H833-L836 VanDerWaalsContact O-N 3.17Å; H833-Y837 PolarHBondContact O-N 2.78Å
834G90.4Very high94.9Very high17 Ų1737.8 Ų37.818%0.17522%0.215CC..Hα-helixtrans54.9-128.216000000113.8Y837 N838G834-Y837 WeakPolarHBondContact O-CB 3.43Å; G834-Y837 PolarHBondContact O-N 2.77Å; G834-N838 PolarHBondContact O-N 2.77Å; G834-N838 PolarHBondContact O-ND2 3.46Å
835M92.5Very high95Very high49 Ų4941.5 Ų41.524%0.24121%0.214CC..Hα-helixtrans-74.5-26.4-176.6-168.456.575.900113.2F787 G794 R795 S796 A797 H833 Y837 N838 Q839F787-M835 HydrophobicContact CD2-CB 4.18Å; F787-M835 HydrophobicContact CE2-CB 4.34Å; F787-M835 HydrophobicContact CE2-CG 4.32Å; G794-M835 WeakPolarHBondContact O-CB 3.46Å; G794-M835 PolarHBondContact O-N 3.28Å; R795-M835 VanDerWaalsContact O-CE 3.28Å; R795-M835 WeakPolarHBondContact O-CE 3.34Å; S796-M835 WeakPolarHBondContact O-CB 3.45Å; S796-M835 WeakPolarHBondContact O-CG 3.29Å; A797-M835 VanDerWaalsContact CA-CG 3.5Å; A797-M835 HydrophobicContact CB-CE 4.38Å; A797-M835 HydrophobicContact CB-CG 4.12Å; A797-M835 HydrophobicContact CB-SD 4.4Å; H833-M835 PolarHBondContact O-N 3.41Å; M835-Y837 VanDerWaalsContact C-N 3.28Å; M835-Y837 PolarHBondContact O-N 3.21Å; M835-N838 PolarHBondContact O-N 3.27Å; M835-N838 HydrophobicContact SD-CB 4.2Å; M835-Q839 HydrophobicContact CG-CG 4.04Å; M835-Q839 WeakPolarHBondContact O-CB 3.39Å; M835-Q839 PolarHBondContact O-N 2.88Å; M835-Q839 HydrophobicContact SD-CG 3.89Å
836L96.3Very high95.3Very high3 Ų341.3 Ų41.32%0.01621%0.21CC..Hα-helixtrans-60.8-42.6172.5-177.265.7000110.4F787 V805 P832 H833 A840 L846 I850F787-L836 HydrophobicContact CD1-CD1 4.23Å; F787-L836 HydrophobicContact CD2-CB 4.03Å; F787-L836 HydrophobicContact CE1-CD1 3.75Å; F787-L836 HydrophobicContact CE2-CB 4.05Å; F787-L836 HydrophobicContact CE2-CD1 4.2Å; F787-L836 HydrophobicContact CG-CB 4.38Å; F787-L836 HydrophobicContact CZ-CB 4.44Å; F787-L836 HydrophobicContact CZ-CD1 3.73Å; V805-L836 HydrophobicContact CG1-CD1 3.95Å; P832-L836 HydrophobicContact CB-CB 4.48Å; P832-L836 HydrophobicContact CB-CD2 4.12Å; P832-L836 HydrophobicContact CB-CG 4.08Å; H833-L836 WeakPolarHBondContact O-CB 3.47Å; H833-L836 PolarHBondContact O-N 3.37Å; H833-L836 VanDerWaalsContact O-N 3.17Å; L836-A840 WeakPolarHBondContact O-CB 3.2Å; L836-A840 PolarHBondContact O-N 3.42Å; L836-A840 VanDerWaalsContact O-N 3.08Å; L836-L846 HydrophobicContact CD1-CD1 4.2Å; L836-L846 HydrophobicContact CD1-CD2 4.41Å; L836-L846 HydrophobicContact CD1-CG 4.46Å; L836-I850 HydrophobicContact CD1-CD1 3.93Å; L836-I850 HydrophobicContact CG-CD1 4.02Å
837Y94.9Very high95.5Very high8 Ų836.7 Ų36.73%0.03118%0.182CC..Hα-helixtrans-62.4-52174.2-175.8-86.1000112.3K831 P832 H833 G834 M835 A840 A841 L866 E885 F887K831-Y837 HydrophobicContact CG-CD2 4.42Å; K831-Y837 HydrophobicContact CG-CE2 4.26Å; P832-Y837 HydrophobicContact CB-CD2 4.41Å; P832-Y837 WeakPolarHBondContact O-CB 3.38Å; P832-Y837 WeakPolarHBondContact O-CD2 3.4Å; H833-Y837 PolarHBondContact O-N 2.78Å; G834-Y837 WeakPolarHBondContact O-CB 3.43Å; G834-Y837 PolarHBondContact O-N 2.77Å; M835-Y837 VanDerWaalsContact C-N 3.28Å; M835-Y837 PolarHBondContact O-N 3.21Å; Y837-A840 PolarHBondContact O-N 3.24Å; Y837-A841 PolarHBondContact O-N 3.14Å; Y837-L866 HydrophobicContact CE1-CB 3.85Å; Y837-L866 VanDerWaalsContact OH-CA 3.25Å; Y837-L866 WeakPolarHBondContact OH-CA 3.23Å; Y837-L866 PolarHBondContact OH-N 3.21Å; Y837-E885 VanDerWaalsContact CE2-OE1 3.29Å; Y837-E885 WeakPolarHBondContact CE2-OE1 3.34Å; Y837-E885 VanDerWaalsContact CZ-OE1 3.24Å; Y837-E885 PolarHBondContact OH-OE1 3.28Å; Y837-F887 AromaticContact CE1-CE2 3.97Å; Y837-F887 HydrophobicContact CE1-CE2 3.97Å; Y837-F887 HydrophobicContact CE1-CZ 4.05Å; Y837-F887 AromaticContact CZ-CE2 3.93Å; Y837-F887 AromaticContact CZ-CZ 3.95Å; Y837-F887 VanDerWaalsContact OH-CE2 3.32Å; Y837-F887 WeakPolarHBondContact OH-CE2 3.48Å
838N92Very high95.6Very high58 Ų5837.2 Ų37.231%0.3119%0.189SC..Hα-helixtrans-67.8-39-174.1-69-48.1000112.8G834 M835 A841G834-N838 PolarHBondContact O-N 2.77Å; G834-N838 PolarHBondContact O-ND2 3.46Å; M835-N838 PolarHBondContact O-N 3.27Å; M835-N838 HydrophobicContact SD-CB 4.2Å; N838-A841 WeakPolarHBondContact O-CB 3.26Å; N838-A841 PolarHBondContact O-N 3.12Å
839Q94Very high95.6Very high18 Ų1830.1 Ų30.18%0.08416%0.163CC..Hα-helixtrans-68.2-43.7174.1-74.2-173.3-98.700110.8M798 M835 A841 K842 E843 L846M798-Q839 PolarHBondContact O-NE2 2.91Å; M798-Q839 PolarHBondContact O-OE1 3.43Å; M835-Q839 HydrophobicContact CG-CG 4.04Å; M835-Q839 WeakPolarHBondContact O-CB 3.39Å; M835-Q839 PolarHBondContact O-N 2.88Å; M835-Q839 HydrophobicContact SD-CG 3.89Å; Q839-A841 PolarHBondContact O-N 3.25Å; Q839-A841 VanDerWaalsContact O-N 3.15Å; Q839-K842 PolarHBondContact O-N 3.3Å; Q839-E843 PolarHBondContact NE2-OE1 2.9Å; Q839-E843 WeakPolarHBondContact O-CB 3.43Å; Q839-E843 PolarHBondContact O-N 2.91Å; Q839-L846 HydrophobicContact CB-CD2 3.4Å; Q839-L846 VanDerWaalsContact CB-CD2 3.4Å
840A96.2Very high95.6Very high0 Ų029.7 Ų29.70%016%0.161CC..Hα-helixtrans-65.6-19.3179.400000112.9L836 Y837 K842 L846 I850 L871L836-A840 WeakPolarHBondContact O-CB 3.2Å; L836-A840 PolarHBondContact O-N 3.42Å; L836-A840 VanDerWaalsContact O-N 3.08Å; Y837-A840 PolarHBondContact O-N 3.24Å; A840-K842 PolarHBondContact O-N 3.5Å; A840-L846 HydrophobicContact CB-CD2 4.16Å; A840-L846 HydrophobicContact CB-CG 4.26Å; A840-I850 HydrophobicContact CB-CD1 3.54Å; A840-L871 HydrophobicContact CB-CD1 4.39Å; A840-L871 PolarHBondContact O-N 3.18Å
841A94.5Very high95.6Very high14 Ų1429.7 Ų29.712%0.11616%0.161CC..THydrogen-bonded Turntrans-66.7-23.3173.200000113.2Y837 N838 Q839 L866 S869 E870Y837-A841 PolarHBondContact O-N 3.14Å; N838-A841 WeakPolarHBondContact O-CB 3.26Å; N838-A841 PolarHBondContact O-N 3.12Å; Q839-A841 PolarHBondContact O-N 3.25Å; Q839-A841 VanDerWaalsContact O-N 3.15Å; A841-L866 HydrophobicContact CB-CB 4.4Å; A841-L866 HydrophobicContact CB-CD2 4.29Å; A841-S869 WeakPolarHBondContact O-CB 3.42Å; A841-E870 PolarHBondContact O-N 3.19Å
842K93.2Very high95.6Very high134 Ų13433 Ų3358%0.58317%0.173SC*.THydrogen-bonded Turntrans-119.9-28.9-174.5-60.6-174.8178.5-171.40113.8Q839 A840Q839-K842 PolarHBondContact O-N 3.3Å; A840-K842 PolarHBondContact O-N 3.5Å
843E95.7Very high95.7Very high62 Ų6233 Ų3329%0.2917%0.173SC..  trans-98.5104.2-173.2-65.8-178.1-141.300111.2Q799 Q839 Q845 L846 A847Q799-E843 PolarHBondContact NE2-OE2 3.29Å; Q839-E843 PolarHBondContact NE2-OE1 2.9Å; Q839-E843 WeakPolarHBondContact O-CB 3.43Å; Q839-E843 PolarHBondContact O-N 2.91Å; E843-Q845 VanDerWaalsContact C-N 3.33Å; E843-Q845 PolarHBondContact O-N 3.33Å; E843-L846 HydrophobicContact CB-CB 3.93Å; E843-L846 PolarHBondContact O-N 2.65Å; E843-L846 VanDerWaalsContact O-N 3.15Å; E843-A847 WeakPolarHBondContact O-CB 3.4Å; E843-A847 PolarHBondContact O-N 3.28Å
844A95.9Very high95.9Very high55 Ų5532.3 Ų32.346%0.45517%0.17SC..Hα-helixtrans-57.9-38.1-176.400000114.1A848A844-A848 WeakPolarHBondContact O-CB 3.3Å; A844-A848 PolarHBondContact O-N 2.83Å
845Q96.2Very high96.2Very high147 Ų14736.8 Ų36.869%0.68718%0.183SC*.Hα-helixtrans-67-39.1178.6-70.2-171.7-4.500112.1P802 E843 A849P802-Q845 HydrophobicContact CG-CB 4.38Å; E843-Q845 VanDerWaalsContact C-N 3.33Å; E843-Q845 PolarHBondContact O-N 3.33Å; Q845-A849 PolarHBondContact O-N 3.22Å; Q845-A849 VanDerWaalsContact O-N 3.11Å
846L96.9Very high96.5Very high10 Ų1037.1 Ų37.15%0.05219%0.193CC..Hα-helixtrans-69-45.4177.5-171.768000110.8F787 V805 L836 Q839 A840 E843 A848 A849 I850F787-L846 HydrophobicContact CZ-CD2 4.45Å; V805-L846 HydrophobicContact CB-CD1 4.02Å; V805-L846 HydrophobicContact CG1-CD1 3.66Å; V805-L846 HydrophobicContact CG2-CD1 3.59Å; L836-L846 HydrophobicContact CD1-CD1 4.2Å; L836-L846 HydrophobicContact CD1-CD2 4.41Å; L836-L846 HydrophobicContact CD1-CG 4.46Å; Q839-L846 HydrophobicContact CB-CD2 3.4Å; Q839-L846 VanDerWaalsContact CB-CD2 3.4Å; A840-L846 HydrophobicContact CB-CD2 4.16Å; A840-L846 HydrophobicContact CB-CG 4.26Å; E843-L846 HydrophobicContact CB-CB 3.93Å; E843-L846 PolarHBondContact O-N 2.65Å; E843-L846 VanDerWaalsContact O-N 3.15Å; L846-A848 VanDerWaalsContact C-N 3.33Å; L846-A848 PolarHBondContact O-N 3.05Å; L846-A849 PolarHBondContact O-N 3.03Å; L846-I850 HydrophobicContact CG-CD1 4.44Å; L846-I850 WeakPolarHBondContact O-CG1 3.22Å; L846-I850 PolarHBondContact O-N 3.07Å; L846-I850 VanDerWaalsContact O-N 3.13Å
847A97.8Very high96.4Very high0 Ų039.1 Ų39.10%021%0.207CC..Hα-helixtrans-55.5-45.8173.400000112.3E843 A849 I850 A851 E870 L871 A874E843-A847 WeakPolarHBondContact O-CB 3.4Å; E843-A847 PolarHBondContact O-N 3.28Å; A847-A849 PolarHBondContact O-N 3.1Å; A847-I850 PolarHBondContact O-N 3.17Å; A847-A851 WeakPolarHBondContact O-CB 3.2Å; A847-A851 PolarHBondContact O-N 3.33Å; A847-E870 HydrophobicContact CB-CB 4.1Å; A847-L871 HydrophobicContact CB-CB 4.49Å; A847-L871 HydrophobicContact CB-CD1 4.34Å; A847-A874 HydrophobicContact CB-CB 3.84Å
848A97.9Very high96.5Very high28 Ų2842 Ų4223%0.23122%0.222CC..Hα-helixtrans-63.4-39.6177.700000112.6A844 L846 R852 Y878A844-A848 WeakPolarHBondContact O-CB 3.3Å; A844-A848 PolarHBondContact O-N 2.83Å; L846-A848 VanDerWaalsContact C-N 3.33Å; L846-A848 PolarHBondContact O-N 3.05Å; A848-R852 WeakPolarHBondContact O-CB 2.92Å; A848-R852 PolarHBondContact O-N 3.09Å; A848-Y878 HydrophobicContact CB-CE2 4.47Å
849A98Very high96.6Very high4 Ų442.5 Ų42.53%0.03323%0.229CC..Hα-helixtrans-63-42.3176.800000112.3P802 V805 Q845 L846 A847 A853P802-A849 HydrophobicContact CB-CB 4.21Å; P802-A849 WeakPolarHBondContact O-CB 3.39Å; V805-A849 HydrophobicContact CB-CB 4.3Å; V805-A849 HydrophobicContact CG1-CB 4.38Å; Q845-A849 PolarHBondContact O-N 3.22Å; Q845-A849 VanDerWaalsContact O-N 3.11Å; L846-A849 PolarHBondContact O-N 3.03Å; A847-A849 PolarHBondContact O-N 3.1Å; A849-A853 PolarHBondContact O-N 3.3Å; A849-A853 VanDerWaalsContact O-N 3.09Å
850I98.4Very high96.6Very high0 Ų045.3 Ų45.30%026%0.256CS..Hα-helixtrans-66.4-50.9176.8-64.3166000110.5V805 T809 P832 L836 A840 L846 A847 R852 A853 V854 L863 L871V805-I850 HydrophobicContact CG1-CG1 4.12Å; T809-I850 HydrophobicContact CG2-CG2 4.35Å; P832-I850 HydrophobicContact CG-CD1 4.19Å; P832-I850 HydrophobicContact CG-CG2 4.01Å; L836-I850 HydrophobicContact CD1-CD1 3.93Å; L836-I850 HydrophobicContact CG-CD1 4.02Å; A840-I850 HydrophobicContact CB-CD1 3.54Å; L846-I850 HydrophobicContact CG-CD1 4.44Å; L846-I850 WeakPolarHBondContact O-CG1 3.22Å; L846-I850 PolarHBondContact O-N 3.07Å; L846-I850 VanDerWaalsContact O-N 3.13Å; A847-I850 PolarHBondContact O-N 3.17Å; I850-R852 VanDerWaalsContact C-N 3.29Å; I850-R852 PolarHBondContact O-N 2.73Å; I850-A853 WeakPolarHBondContact O-CB 3.37Å; I850-A853 PolarHBondContact O-N 3.08Å; I850-V854 WeakPolarHBondContact O-CG2 3.3Å; I850-V854 PolarHBondContact O-N 3.15Å; I850-L863 HydrophobicContact CG2-CD1 4.23Å; I850-L871 HydrophobicContact CB-CD1 4.07Å; I850-L871 HydrophobicContact CD1-CD1 4.34Å; I850-L871 HydrophobicContact CG2-CD1 3.91Å
851A98.2Very high96.7Very high0 Ų045.4 Ų45.40%026%0.256CS..Hα-helixtrans-58.4-42.1179.900000111.8A847 A853 V854 Y855 L863 A874 Y878 L880A847-A851 WeakPolarHBondContact O-CB 3.2Å; A847-A851 PolarHBondContact O-N 3.33Å; A851-A853 PolarHBondContact O-N 2.89Å; A851-V854 PolarHBondContact O-N 2.89Å; A851-Y855 WeakPolarHBondContact O-CB 3.5Å; A851-Y855 PolarHBondContact O-N 3.49Å; A851-L863 HydrophobicContact CB-CD2 4.09Å; A851-A874 HydrophobicContact CB-CB 3.94Å; A851-Y878 HydrophobicContact CB-CD2 3.92Å; A851-Y878 HydrophobicContact CB-CE2 4.47Å; A851-L880 HydrophobicContact CB-CD1 4.5Å
852R98.2Very high96.8Very high72 Ų7246.2 Ų46.227%0.27226%0.26SS..Hα-helixtrans-62.3-40.2175.1-168179.968.2170.63.4112.1E803 Y806 A848 I850 A856 Y878E803-R852 IonicContact OE1-CZ 2.76Å; E803-R852 VanDerWaalsContact OE1-CZ 3.32Å; E803-R852 IonicContact OE1-NH1 3.04Å; E803-R852 PolarHBondContact OE1-NH1 3.45Å; E803-R852 IonicContact OE1-NH2 2.71Å; E803-R852 PolarHBondContact OE1-NH2 2.88Å; E803-R852 IonicContact OE2-CZ 2.72Å; E803-R852 IonicContact OE2-NH1 3.73Å; E803-R852 IonicContact OE2-NH2 3.94Å; E803-R852 PolarHBondContact OE2-NH2 3.49Å; Y806-R852 HydrophobicContact CD2-CB 4.16Å; Y806-R852 HydrophobicContact CD2-CG 4.15Å; Y806-R852 HydrophobicContact CE2-CB 4.32Å; Y806-R852 HydrophobicContact CE2-CG 3.93Å; A848-R852 WeakPolarHBondContact O-CB 2.92Å; A848-R852 PolarHBondContact O-N 3.09Å; I850-R852 VanDerWaalsContact C-N 3.29Å; I850-R852 PolarHBondContact O-N 2.73Å; R852-A856 VanDerWaalsContact O-CB 3.26Å; R852-A856 WeakPolarHBondContact O-CB 3.42Å; R852-A856 PolarHBondContact O-N 3.33Å; R852-Y878 HydrophobicContact CB-CE1 4.09Å; R852-Y878 HydrophobicContact CB-CE2 4.48Å; R852-Y878 HydrophobicContact CG-CE1 4.04Å
853A98.2Very high97.1Very high0 Ų039.9 Ų39.90%023%0.232CC..Hα-helixtrans-66-41.4177.200000112.2Y806 T809 L810 A849 I850 A851 A856 C857Y806-A853 HydrophobicContact CD2-CB 3.71Å; Y806-A853 HydrophobicContact CE2-CB 4.08Å; Y806-A853 HydrophobicContact CG-CB 4.49Å; T809-A853 HydrophobicContact CG2-CB 3.79Å; L810-A853 HydrophobicContact CB-CB 4.31Å; A849-A853 PolarHBondContact O-N 3.3Å; A849-A853 VanDerWaalsContact O-N 3.09Å; I850-A853 WeakPolarHBondContact O-CB 3.37Å; I850-A853 PolarHBondContact O-N 3.08Å; A851-A853 PolarHBondContact O-N 2.89Å; A853-A856 PolarHBondContact O-N 3.02Å; A853-C857 PolarHBondContact O-N 3.03Å; A853-C857 VanDerWaalsContact O-N 3.07Å
854V98.2Very high97.2Very high0 Ų037.1 Ų37.10%022%0.219CC..Hα-helixtrans-64.2-48.9176.5176.30000111I813 V830 I850 A851 A856 C857 D858 L861 L863 L880I813-V854 HydrophobicContact CD1-CG2 3.81Å; V830-V854 HydrophobicContact CB-CG2 3.89Å; V830-V854 HydrophobicContact CG1-CG2 3.92Å; V830-V854 HydrophobicContact CG2-CG1 4.22Å; V830-V854 HydrophobicContact CG2-CG2 3.99Å; I850-V854 WeakPolarHBondContact O-CG2 3.3Å; I850-V854 PolarHBondContact O-N 3.15Å; A851-V854 PolarHBondContact O-N 2.89Å; V854-A856 VanDerWaalsContact C-N 3.32Å; V854-A856 PolarHBondContact O-N 2.94Å; V854-C857 PolarHBondContact O-N 3.46Å; V854-C857 VanDerWaalsContact O-N 3.16Å; V854-D858 PolarHBondContact O-N 2.82Å; V854-L861 HydrophobicContact CG1-CB 3.86Å; V854-L861 HydrophobicContact CG1-CD1 4.3Å; V854-L863 HydrophobicContact CG2-CD1 4.11Å; V854-L880 HydrophobicContact CB-CD1 4.06Å; V854-L880 HydrophobicContact CG1-CD1 3.95Å; V854-L880 HydrophobicContact CG1-CD2 4.3Å
855Y97.7Very high97.2Very high111 Ų11134.5 Ų34.544%0.43520%0.198SC..Hα-helixtrans-59-42176.8-178.1-88.5000112.5A851 C857 P859 Y878 L880A851-Y855 WeakPolarHBondContact O-CB 3.5Å; A851-Y855 PolarHBondContact O-N 3.49Å; Y855-C857 VanDerWaalsContact C-N 3.31Å; Y855-C857 PolarHBondContact O-N 2.85Å; Y855-P859 HydrophobicContact CD2-CB 4.1Å; Y855-P859 HydrophobicContact CD2-CG 4.32Å; Y855-P859 HydrophobicContact CE2-CB 3.94Å; Y855-P859 HydrophobicContact CE2-CG 4.1Å; Y855-P859 WeakPolarHBondContact O-CD 3.46Å; Y855-Y878 WeakPolarHBondContact CD2-O 3.46Å; Y855-L880 HydrophobicContact CD2-CD2 4.11Å; Y855-L880 HydrophobicContact CD2-CG 4.39Å
856A97.1Very high97.2Very high56 Ų5627.9 Ų27.946%0.46317%0.167SC..Hα-helixtrans-67-31.2178.300000113Y806 R852 A853 V854Y806-A856 HydrophobicContact CE2-CB 4.32Å; R852-A856 VanDerWaalsContact O-CB 3.26Å; R852-A856 WeakPolarHBondContact O-CB 3.42Å; R852-A856 PolarHBondContact O-N 3.33Å; A853-A856 PolarHBondContact O-N 3.02Å; V854-A856 VanDerWaalsContact C-N 3.32Å; V854-A856 PolarHBondContact O-N 2.94Å
857C96Very high97.1Very high44 Ų4428 Ų2830%0.29717%0.169SC..Hα-helixtrans-72.8-52.8175.9-175.20000111.6L810 I813 A853 V854 Y855 L861L810-C857 HydrophobicContact CD1-CB 4.02Å; I813-C857 HydrophobicContact CG2-CB 3.98Å; I813-C857 WeakPolarHBondContact CG2-SG 3.4Å; A853-C857 PolarHBondContact O-N 3.03Å; A853-C857 VanDerWaalsContact O-N 3.07Å; V854-C857 PolarHBondContact O-N 3.46Å; V854-C857 VanDerWaalsContact O-N 3.16Å; Y855-C857 VanDerWaalsContact C-N 3.31Å; Y855-C857 PolarHBondContact O-N 2.85Å; C857-L861 HydrophobicContact CB-CD1 4.43Å
858D95.4Very high96.7Very high68 Ų6830.1 Ų30.136%0.36419%0.191SC..  trans-165.1114.4177-179.7-4.4000110.3V854 A860 L861V854-D858 PolarHBondContact O-N 2.82Å; D858-A860 PolarHBondContact O-N 2.93Å; D858-A860 VanDerWaalsContact O-N 3.11Å; D858-A860 VanDerWaalsContact OD1-CB 3.28Å; D858-A860 WeakPolarHBondContact OD1-CB 3.37Å; D858-A860 PolarHBondContact OD1-N 3.26Å; D858-L861 HydrophobicContact CB-CD1 3.79Å; D858-L861 HydrophobicContact CB-CG 3.83Å; D858-L861 WeakPolarHBondContact O-CB 3.29Å; D858-L861 PolarHBondContact O-N 2.79Å
859P94.9Very high96.6Very high70 Ų7029.2 Ų29.246%0.45518%0.183SC..THydrogen-bonded Turntrans-61.4-16.1178.2-23.433.5000115Y855 L861Y855-P859 HydrophobicContact CD2-CB 4.1Å; Y855-P859 HydrophobicContact CD2-CG 4.32Å; Y855-P859 HydrophobicContact CE2-CB 3.94Å; Y855-P859 HydrophobicContact CE2-CG 4.1Å; Y855-P859 WeakPolarHBondContact O-CD 3.46Å; P859-L861 VanDerWaalsContact C-N 3.32Å
860A95Very high96.5Very high77 Ų7731.4 Ų31.464%0.63619%0.193SC*.THydrogen-bonded Turntrans-81.4-10.2176.300000113.3D858D858-A860 PolarHBondContact O-N 2.93Å; D858-A860 VanDerWaalsContact O-N 3.11Å; D858-A860 VanDerWaalsContact OD1-CB 3.28Å; D858-A860 WeakPolarHBondContact OD1-CB 3.37Å; D858-A860 PolarHBondContact OD1-N 3.26Å
861L96.8Very high96.5Very high2 Ų231.5 Ų31.51%0.0119%0.193CC..SBendtrans-69143.7177.8-70.4167.9000111.8I813 M827 V830 V854 C857 D858 P859I813-L861 HydrophobicContact CG2-CD1 4.41Å; M827-L861 HydrophobicContact CB-CD2 4.36Å; M827-L861 HydrophobicContact CE-CD1 3.51Å; M827-L861 HydrophobicContact CE-CD2 3.66Å; M827-L861 HydrophobicContact CE-CG 4.24Å; M827-L861 HydrophobicContact CG-CD2 4.12Å; M827-L861 WeakPolarHBondContact O-CD2 3.45Å; V830-L861 HydrophobicContact CG2-CD1 4.2Å; V854-L861 HydrophobicContact CG1-CB 3.86Å; V854-L861 HydrophobicContact CG1-CD1 4.3Å; C857-L861 HydrophobicContact CB-CD1 4.43Å; D858-L861 HydrophobicContact CB-CD1 3.79Å; D858-L861 HydrophobicContact CB-CG 3.83Å; D858-L861 WeakPolarHBondContact O-CB 3.29Å; D858-L861 PolarHBondContact O-N 2.79Å; P859-L861 VanDerWaalsContact C-N 3.32Å
862V97.9Very high96.5Very high31 Ų3131.6 Ų31.619%0.18819%0.194CC..EExtended strand (participates in β ladder)trans-86.7129.2172.6179.10000109.9R828 H829 V830 T881 R883R828-V862 PolarHBondContact O-N 3.4Å; H829-V862 CarbonylContact C-O 3.58Å; H829-V862 WeakPolarHBondContact CA-O 3.31Å; H829-V862 HydrophobicContact CB-CB 3.91Å; H829-V862 HydrophobicContact CB-CG1 4.5Å; H829-V862 WeakPolarHBondContact CB-O 3.31Å; V830-V862 PolarHBondContact N-O 2.73Å; V862-T881 CarbonylContact C-O 3.45Å; V862-T881 VanDerWaalsContact CA-O 3.31Å; V862-T881 WeakPolarHBondContact CA-O 3.23Å; V862-T881 HydrophobicContact CG2-CG2 4.11Å; V862-R883 HydrophobicContact CG1-CB 3.98Å; V862-R883 HydrophobicContact CG1-CG 3.4Å; V862-R883 VanDerWaalsContact CG1-CG 3.4Å
863L98.2Very high96.4Very high0 Ų034.8 Ų34.80%021%0.205CC..EExtended strand (participates in β ladder)trans-93.8121.1172.3179.763.3000110.2I850 A851 V854 L871 L880 T881 T882 R883I850-L863 HydrophobicContact CG2-CD1 4.23Å; A851-L863 HydrophobicContact CB-CD2 4.09Å; V854-L863 HydrophobicContact CG2-CD1 4.11Å; L863-L871 HydrophobicContact CD1-CD1 4.29Å; L863-L871 HydrophobicContact CD1-CD2 4.48Å; L863-L871 HydrophobicContact CD1-CG 4.43Å; L863-L871 HydrophobicContact CD2-CD1 3.92Å; L863-L871 HydrophobicContact CD2-CG 4.14Å; L863-L871 HydrophobicContact CG-CD1 4.46Å; L863-L871 HydrophobicContact CG-CG 4.35Å; L863-L880 HydrophobicContact CB-CD1 4.35Å; L863-L880 HydrophobicContact CD2-CD1 4.38Å; L863-T881 PolarHBondContact N-O 3.11Å; L863-T882 CarbonylContact O-C 3.5Å; L863-T882 VanDerWaalsContact O-CA 3.3Å; L863-T882 WeakPolarHBondContact O-CA 3.38Å; L863-R883 PolarHBondContact O-N 2.9Å
864V98.1Very high96.4Very high4 Ų435 Ų352%0.02421%0.208CC..EExtended strand (participates in β ladder)trans-99.3134.1178-175.20000109.6H829 V830 K831 R883 E885 T941H829-V864 HydrophobicContact CB-CG2 4.18Å; V830-V864 PolarHBondContact O-N 3.06Å; K831-V864 HydrophobicContact CB-CB 3.92Å; K831-V864 HydrophobicContact CB-CG1 4.35Å; K831-V864 HydrophobicContact CB-CG2 4.5Å; K831-V864 HydrophobicContact CG-CB 4.19Å; K831-V864 HydrophobicContact CG-CG1 4.12Å; V864-R883 WeakPolarHBondContact CA-O 3.43Å; V864-R883 HydrophobicContact CG2-CB 4.24Å; V864-E885 HydrophobicContact CG1-CB 3.89Å; V864-E885 HydrophobicContact CG1-CG 4.48Å; V864-T941 HydrophobicContact CG1-CG2 3.79Å
865G96.9Very high96.3Very high0 Ų035 Ų350%021%0.208CC..EExtended strand (participates in β ladder)trans-158166.1177.100000112.3A867 R883 E885G865-A867 PolarHBondContact O-N 2.94Å; G865-R883 PolarHBondContact N-O 3.08Å; G865-R883 VanDerWaalsContact N-O 3.15Å; G865-E885 WeakPolarHBondContact O-CB 3.46Å; G865-E885 PolarHBondContact O-N 2.81Å
866L95.7Very high96.2Very high9 Ų935.2 Ų35.25%0.04721%0.211CC..EExtended strand (participates in β ladder)trans-56.4137.7-179.8-175.267.3000110.3Y837 A841 G868 S869 I872 F887 L898Y837-L866 HydrophobicContact CE1-CB 3.85Å; Y837-L866 VanDerWaalsContact OH-CA 3.25Å; Y837-L866 WeakPolarHBondContact OH-CA 3.23Å; Y837-L866 PolarHBondContact OH-N 3.21Å; A841-L866 HydrophobicContact CB-CB 4.4Å; A841-L866 HydrophobicContact CB-CD2 4.29Å; L866-G868 PolarHBondContact O-N 2.98Å; L866-S869 WeakPolarHBondContact O-CB 3.34Å; L866-S869 PolarHBondContact O-N 3.34Å; L866-S869 VanDerWaalsContact O-N 3.08Å; L866-S869 PolarHBondContact O-OG 3.37Å; L866-I872 WeakPolarHBondContact O-CG1 3.29Å; L866-F887 HydrophobicContact CD1-CD2 4.23Å; L866-F887 HydrophobicContact CD1-CE2 4.1Å; L866-L898 HydrophobicContact CD1-CD1 4.19Å; L866-L898 HydrophobicContact CD1-CD2 4.29Å; L866-L898 HydrophobicContact CD1-CG 3.94Å; L866-L898 HydrophobicContact CD2-CG 4.21Å
867A93.6Very high96.1Very high12 Ų1240.2 Ų40.210%0.09923%0.225CC..THydrogen-bonded Turntrans-50.5133.617800000112G865 S869 E884 E885 V886 V937G865-A867 PolarHBondContact O-N 2.94Å; A867-S869 PolarHBondContact O-N 3.19Å; A867-E884 HydrophobicContact CB-CB 4.12Å; A867-E885 PolarHBondContact N-O 3.48Å; A867-V886 HydrophobicContact CB-CG1 4.33Å; A867-V937 HydrophobicContact CB-CB 4.21Å
868G90.9Very high96Very high44 Ų4442.1 Ų42.145%0.45423%0.226SC..THydrogen-bonded Turntrans695.2-179.300000117.2L866 R873 E884L866-G868 PolarHBondContact O-N 2.98Å; G868-R873 PolarHBondContact O-NH2 2.83Å; G868-E884 PolarHBondContact N-OE2 2.88Å
869S95Very high95.8Very high9 Ų941.9 Ų41.96%0.06324%0.24CC..  trans-80.3165.7-172.6710000115.6A841 L866 A867 L871 I872 R873A841-S869 WeakPolarHBondContact O-CB 3.42Å; L866-S869 WeakPolarHBondContact O-CB 3.34Å; L866-S869 PolarHBondContact O-N 3.34Å; L866-S869 VanDerWaalsContact O-N 3.08Å; L866-S869 PolarHBondContact O-OG 3.37Å; A867-S869 PolarHBondContact O-N 3.19Å; S869-L871 PolarHBondContact O-N 3.43Å; S869-I872 WeakPolarHBondContact O-CB 3.48Å; S869-I872 PolarHBondContact O-N 3.4Å; S869-I872 VanDerWaalsContact O-N 3.13Å; S869-R873 PolarHBondContact O-N 3.32Å
870E97Very high95.9Very high51 Ų5139 Ų3924%0.23822%0.22CC..Hα-helixtrans-57.9-33173.1-74.7-57.6135.300112.7A841 A847 I872 R873 A874A841-E870 PolarHBondContact O-N 3.19Å; A847-E870 HydrophobicContact CB-CB 4.1Å; E870-I872 VanDerWaalsContact C-N 3.3Å; E870-I872 PolarHBondContact O-N 3.17Å; E870-R873 PolarHBondContact O-N 2.88Å; E870-R873 IonicContact OE1-CZ 3.33Å; E870-R873 IonicContact OE1-NH1 3.28Å; E870-R873 PolarHBondContact OE1-NH1 3.35Å; E870-A874 WeakPolarHBondContact O-CB 3.49Å; E870-A874 PolarHBondContact O-N 2.88Å
871L97.7Very high95.9Very high1 Ų139.1 Ų39.11%0.00521%0.213CC..Hα-helixtrans-61.1-39.1176.2-171.960.4000112.3P832 A840 A847 I850 L863 S869 G875P832-L871 HydrophobicContact CG-CD2 3.93Å; A840-L871 HydrophobicContact CB-CD1 4.39Å; A840-L871 PolarHBondContact O-N 3.18Å; A847-L871 HydrophobicContact CB-CB 4.49Å; A847-L871 HydrophobicContact CB-CD1 4.34Å; I850-L871 HydrophobicContact CB-CD1 4.07Å; I850-L871 HydrophobicContact CD1-CD1 4.34Å; I850-L871 HydrophobicContact CG2-CD1 3.91Å; L863-L871 HydrophobicContact CD1-CD1 4.29Å; L863-L871 HydrophobicContact CD1-CD2 4.48Å; L863-L871 HydrophobicContact CD1-CG 4.43Å; L863-L871 HydrophobicContact CD2-CD1 3.92Å; L863-L871 HydrophobicContact CD2-CG 4.14Å; L863-L871 HydrophobicContact CG-CD1 4.46Å; L863-L871 HydrophobicContact CG-CG 4.35Å; S869-L871 PolarHBondContact O-N 3.43Å; L871-G875 PolarHBondContact O-N 3.29Å
872I97.2Very high96Very high3 Ų339.7 Ų39.72%0.01522%0.217CC..Hα-helixtrans-69.2-40.3176.5-60.3-62.2000111L866 S869 E870 G875 K876 R883 E884L866-I872 WeakPolarHBondContact O-CG1 3.29Å; S869-I872 WeakPolarHBondContact O-CB 3.48Å; S869-I872 PolarHBondContact O-N 3.4Å; S869-I872 VanDerWaalsContact O-N 3.13Å; E870-I872 VanDerWaalsContact C-N 3.3Å; E870-I872 PolarHBondContact O-N 3.17Å; I872-G875 PolarHBondContact O-N 3.27Å; I872-K876 HydrophobicContact CG2-CD 4.19Å; I872-K876 WeakPolarHBondContact O-CG 3.4Å; I872-K876 PolarHBondContact O-N 3.28Å; I872-K876 VanDerWaalsContact O-N 3.11Å; I872-R883 WeakPolarHBondContact CD1-O 3.06Å; I872-E884 HydrophobicContact CD1-CG 3.91Å; I872-E884 HydrophobicContact CG1-CG 3.98Å; I872-E884 HydrophobicContact CG2-CG 3.92Å
873R97.5Very high95.9Very high138 Ų13842.2 Ų42.252%0.52122%0.223SC..Hα-helixtrans-62.1-47175.4-65.8-178.2-176.5111.813.9111.1G868 S869 E870 G875 K876 Q877G868-R873 PolarHBondContact O-NH2 2.83Å; S869-R873 PolarHBondContact O-N 3.32Å; E870-R873 PolarHBondContact O-N 2.88Å; E870-R873 IonicContact OE1-CZ 3.33Å; E870-R873 IonicContact OE1-NH1 3.28Å; E870-R873 PolarHBondContact OE1-NH1 3.35Å; R873-G875 PolarHBondContact O-N 3.31Å; R873-K876 PolarHBondContact O-N 3.34Å; R873-Q877 WeakPolarHBondContact O-CB 3.45Å; R873-Q877 PolarHBondContact O-N 3.38Å
874A97.6Very high95.8Very high6 Ų643.1 Ų43.15%0.0523%0.227CC..Hα-helixtrans-60.8-44.9177.400000112A847 A851 E870 K876 Q877 Y878A847-A874 HydrophobicContact CB-CB 3.84Å; A851-A874 HydrophobicContact CB-CB 3.94Å; E870-A874 WeakPolarHBondContact O-CB 3.49Å; E870-A874 PolarHBondContact O-N 2.88Å; A874-K876 PolarHBondContact O-N 3.07Å; A874-Q877 PolarHBondContact O-N 3.5Å; A874-Y878 WeakPolarHBondContact O-CD2 3.18Å; A874-Y878 PolarHBondContact O-N 3.45Å; A874-Y878 VanDerWaalsContact O-N 3.1Å
875G96.9Very high95.7Very high0 Ų042.9 Ų42.90%023%0.226CC..Hα-helixtrans-57.8-48176.700000113.1L871 I872 R873 Q877 Y878 G879 L880L871-G875 PolarHBondContact O-N 3.29Å; I872-G875 PolarHBondContact O-N 3.27Å; R873-G875 PolarHBondContact O-N 3.31Å; G875-Q877 VanDerWaalsContact C-N 3.32Å; G875-Q877 PolarHBondContact O-N 2.97Å; G875-Y878 PolarHBondContact O-N 3.07Å; G875-G879 PolarHBondContact O-N 2.89Å; G875-L880 WeakPolarHBondContact O-CB 3.39Å; G875-L880 PolarHBondContact O-N 3.4Å
876K95.5Very high95.6Very high114 Ų11442.9 Ų42.950%0.49623%0.226SC..Hα-helixtrans-61.6-39.5177-70.5172.6-175.2168.10111.7I872 R873 A874 Y878 G879 T882 E884I872-K876 HydrophobicContact CG2-CD 4.19Å; I872-K876 WeakPolarHBondContact O-CG 3.4Å; I872-K876 PolarHBondContact O-N 3.28Å; I872-K876 VanDerWaalsContact O-N 3.11Å; R873-K876 PolarHBondContact O-N 3.34Å; A874-K876 PolarHBondContact O-N 3.07Å; K876-Y878 VanDerWaalsContact C-N 3.34Å; K876-Y878 PolarHBondContact O-N 3.07Å; K876-G879 PolarHBondContact O-N 2.92Å; K876-G879 VanDerWaalsContact O-N 3.13Å; K876-T882 WeakPolarHBondContact CE-OG1 3.3Å; K876-T882 HydrophobicContact CG-CG2 4.04Å; K876-E884 IonicContact NZ-OE1 3.87Å; K876-E884 PolarHBondContact NZ-OE1 2.87Å; K876-E884 VanDerWaalsContact NZ-OE1 3.09Å
877Q95.3Very high95.4Very high162 Ų16242.8 Ų42.876%0.75723%0.225SC*.Hα-helixtrans-64.7-35.2178.7-172.3178.92.200113R873 A874 G875 G879R873-Q877 WeakPolarHBondContact O-CB 3.45Å; R873-Q877 PolarHBondContact O-N 3.38Å; A874-Q877 PolarHBondContact O-N 3.5Å; G875-Q877 VanDerWaalsContact C-N 3.32Å; G875-Q877 PolarHBondContact O-N 2.97Å; Q877-G879 VanDerWaalsContact C-N 3.29Å
878Y93.5Very high95.1Very high84 Ų8442.3 Ų42.333%0.32922%0.221SC..THydrogen-bonded Turntrans-83.91.3174.9-82.7-86.1000113.7A848 A851 R852 Y855 A874 G875 K876 L880A848-Y878 HydrophobicContact CB-CE2 4.47Å; A851-Y878 HydrophobicContact CB-CD2 3.92Å; A851-Y878 HydrophobicContact CB-CE2 4.47Å; R852-Y878 HydrophobicContact CB-CE1 4.09Å; R852-Y878 HydrophobicContact CB-CE2 4.48Å; R852-Y878 HydrophobicContact CG-CE1 4.04Å; Y855-Y878 WeakPolarHBondContact CD2-O 3.46Å; A874-Y878 WeakPolarHBondContact O-CD2 3.18Å; A874-Y878 PolarHBondContact O-N 3.45Å; A874-Y878 VanDerWaalsContact O-N 3.1Å; G875-Y878 PolarHBondContact O-N 3.07Å; K876-Y878 VanDerWaalsContact C-N 3.34Å; K876-Y878 PolarHBondContact O-N 3.07Å; Y878-L880 VanDerWaalsContact C-N 3.35Å
879G91.7Very high94.9Very high63 Ų6341.7 Ų41.765%0.64921%0.207SC*.THydrogen-bonded Turntrans77.316179.300000114.8G875 K876 Q877G875-G879 PolarHBondContact O-N 2.89Å; K876-G879 PolarHBondContact O-N 2.92Å; K876-G879 VanDerWaalsContact O-N 3.13Å; Q877-G879 VanDerWaalsContact C-N 3.29Å
880L95.3Very high94.6Very high9 Ų941.8 Ų41.85%0.04721%0.207CC..  trans-75.8151.9174.4-68.7170.2000111.2A851 V854 Y855 L863 G875 Y878 T882A851-L880 HydrophobicContact CB-CD1 4.5Å; V854-L880 HydrophobicContact CB-CD1 4.06Å; V854-L880 HydrophobicContact CG1-CD1 3.95Å; V854-L880 HydrophobicContact CG1-CD2 4.3Å; Y855-L880 HydrophobicContact CD2-CD2 4.11Å; Y855-L880 HydrophobicContact CD2-CG 4.39Å; L863-L880 HydrophobicContact CB-CD1 4.35Å; L863-L880 HydrophobicContact CD2-CD1 4.38Å; G875-L880 WeakPolarHBondContact O-CB 3.39Å; G875-L880 PolarHBondContact O-N 3.4Å; Y878-L880 VanDerWaalsContact C-N 3.35Å; L880-T882 PolarHBondContact O-N 2.8Å
881T96.8Very high94.3Very high79 Ų7939.6 Ų39.649%0.48520%0.198SC..EExtended strand (participates in β ladder)trans-72.6126.2163.3-61.20000108.5V862 L863V862-T881 CarbonylContact C-O 3.45Å; V862-T881 VanDerWaalsContact CA-O 3.31Å; V862-T881 WeakPolarHBondContact CA-O 3.23Å; V862-T881 HydrophobicContact CG2-CG2 4.11Å; L863-T881 PolarHBondContact N-O 3.11Å
882T97Very high94.1Very high15 Ų1539.6 Ų39.69%0.09220%0.198CC..EExtended strand (participates in β ladder)trans-109.2148.2179.559.90000111.8L863 K876 L880L863-T882 CarbonylContact O-C 3.5Å; L863-T882 VanDerWaalsContact O-CA 3.3Å; L863-T882 WeakPolarHBondContact O-CA 3.38Å; K876-T882 WeakPolarHBondContact CE-OG1 3.3Å; K876-T882 HydrophobicContact CG-CG2 4.04Å; L880-T882 PolarHBondContact O-N 2.8Å
883R96.4Very high93.9Very high83 Ų8342.1 Ų42.131%0.31321%0.209SC..EExtended strand (participates in β ladder)trans-122.2124.2168.3-74.4-74.2-171.8-125.40.3110.3V862 L863 V864 G865 I872 Q940 T941V862-R883 HydrophobicContact CG1-CB 3.98Å; V862-R883 HydrophobicContact CG1-CG 3.4Å; V862-R883 VanDerWaalsContact CG1-CG 3.4Å; L863-R883 PolarHBondContact O-N 2.9Å; V864-R883 WeakPolarHBondContact CA-O 3.43Å; V864-R883 HydrophobicContact CG2-CB 4.24Å; G865-R883 PolarHBondContact N-O 3.08Å; G865-R883 VanDerWaalsContact N-O 3.15Å; I872-R883 WeakPolarHBondContact CD1-O 3.06Å; R883-Q940 VanDerWaalsContact CA-OE1 3.31Å; R883-T941 HydrophobicContact CB-CG2 4.46Å
884E96.5Very high93.5Very high19 Ų1938 Ų389%0.08921%0.205CC..EExtended strand (participates in β ladder)trans-85.1119.2177.6-63.8-167.1-142.300109.9A867 G868 I872 K876 T938 Q940 T941A867-E884 HydrophobicContact CB-CB 4.12Å; G868-E884 PolarHBondContact N-OE2 2.88Å; I872-E884 HydrophobicContact CD1-CG 3.91Å; I872-E884 HydrophobicContact CG1-CG 3.98Å; I872-E884 HydrophobicContact CG2-CG 3.92Å; K876-E884 IonicContact NZ-OE1 3.87Å; K876-E884 PolarHBondContact NZ-OE1 2.87Å; K876-E884 VanDerWaalsContact NZ-OE1 3.09Å; E884-T938 HydrophobicContact CB-CG2 4.41Å; E884-T938 WeakPolarHBondContact CB-O 3.49Å; E884-T938 WeakPolarHBondContact OE2-CB 3.24Å; E884-Q940 HydrophobicContact CB-CG 4.45Å; E884-Q940 WeakPolarHBondContact O-CB 3.5Å; E884-Q940 PolarHBondContact O-N 3.07Å; E884-T941 PolarHBondContact O-N 2.79Å
885E96.2Very high93.1Very high0 Ų043.3 Ų43.30%023%0.233CC..EExtended strand (participates in β ladder)trans-99.5143.9-174.3-178.1171.566.300112N733 K831 Y837 V864 G865 A867 F887 T941 C943N733-E885 PolarHBondContact ND2-OE2 2.91Å; N733-E885 PolarHBondContact OD1-OE2 3.31Å; K831-E885 WeakPolarHBondContact CE-OE1 3.07Å; K831-E885 WeakPolarHBondContact CE-OE2 3.41Å; K831-E885 IonicContact NZ-OE1 3.05Å; K831-E885 IonicContact NZ-OE2 3.63Å; K831-E885 PolarHBondContact NZ-OE2 2.9Å; K831-E885 VanDerWaalsContact NZ-OE2 3.15Å; Y837-E885 VanDerWaalsContact CE2-OE1 3.29Å; Y837-E885 WeakPolarHBondContact CE2-OE1 3.34Å; Y837-E885 VanDerWaalsContact CZ-OE1 3.24Å; Y837-E885 PolarHBondContact OH-OE1 3.28Å; V864-E885 HydrophobicContact CG1-CB 3.89Å; V864-E885 HydrophobicContact CG1-CG 4.48Å; G865-E885 WeakPolarHBondContact O-CB 3.46Å; G865-E885 PolarHBondContact O-N 2.81Å; A867-E885 PolarHBondContact N-O 3.48Å; E885-F887 HydrophobicContact CG-CE2 4.27Å; E885-F887 HydrophobicContact CG-CZ 4.45Å; E885-F887 WeakPolarHBondContact OE1-CZ 3.21Å; E885-T941 WeakPolarHBondContact CA-O 3.24Å; E885-T941 HydrophobicContact CB-CG2 3.52Å; E885-T941 HydrophobicContact CG-CG2 3.82Å; E885-C943 HydrophobicContact CG-CB 4.18Å; E885-C943 WeakPolarHBondContact OE2-CB 3.32Å
886V94.7Very high92.6Very high0 Ų043.6 Ų43.60%024%0.235CC..EExtended strand (participates in β ladder)trans-127.2156.2169.4-61.80000110.6A867 M921 V937 A939 T941 V942 C943A867-V886 HydrophobicContact CB-CG1 4.33Å; V886-M921 HydrophobicContact CB-CE 4Å; V886-M921 HydrophobicContact CB-SD 3.72Å; V886-M921 HydrophobicContact CG1-SD 3.98Å; V886-M921 HydrophobicContact CG2-CB 4.45Å; V886-M921 HydrophobicContact CG2-CE 3.92Å; V886-M921 HydrophobicContact CG2-SD 4.13Å; V886-V937 HydrophobicContact CG1-CB 4.27Å; V886-V937 HydrophobicContact CG1-CG2 4.32Å; V886-A939 HydrophobicContact CG1-CB 3.98Å; V886-A939 HydrophobicContact CG2-CB 3.67Å; V886-T941 PolarHBondContact N-O 2.84Å; V886-V942 HydrophobicContact CG2-CG2 3.85Å; V886-V942 WeakPolarHBondContact O-CA 3.48Å; V886-C943 PolarHBondContact O-N 3.05Å
887F91.8Very high92.3Very high7 Ų738.8 Ų38.83%0.03122%0.216CC..EExtended strand (participates in β ladder)trans-112.9130.3178.5-65.5-94000110.7Y837 L866 E885 R890 Y892 L898 C943 H945Y837-F887 AromaticContact CE1-CE2 3.97Å; Y837-F887 HydrophobicContact CE1-CE2 3.97Å; Y837-F887 HydrophobicContact CE1-CZ 4.05Å; Y837-F887 AromaticContact CZ-CE2 3.93Å; Y837-F887 AromaticContact CZ-CZ 3.95Å; Y837-F887 VanDerWaalsContact OH-CE2 3.32Å; Y837-F887 WeakPolarHBondContact OH-CE2 3.48Å; L866-F887 HydrophobicContact CD1-CD2 4.23Å; L866-F887 HydrophobicContact CD1-CE2 4.1Å; E885-F887 HydrophobicContact CG-CE2 4.27Å; E885-F887 HydrophobicContact CG-CZ 4.45Å; E885-F887 WeakPolarHBondContact OE1-CZ 3.21Å; F887-R890 HydrophobicContact CB-CB 3.81Å; F887-R890 HydrophobicContact CB-CG 3.62Å; F887-R890 HydrophobicContact CD1-CG 4.38Å; F887-R890 HydrophobicContact CG-CG 4.1Å; F887-Y892 PolarHBondContact N-OH 2.98Å; F887-Y892 PolarHBondContact O-OH 3.45Å; F887-L898 HydrophobicContact CB-CD2 4.44Å; F887-L898 HydrophobicContact CD2-CD1 3.68Å; F887-L898 HydrophobicContact CD2-CD2 3.96Å; F887-L898 HydrophobicContact CD2-CG 4.34Å; F887-L898 HydrophobicContact CE2-CD1 3.71Å; F887-L898 HydrophobicContact CG-CD1 4.39Å; F887-L898 HydrophobicContact CG-CD2 4.49Å; F887-L898 HydrophobicContact CZ-CD1 4.43Å; F887-C943 HydrophobicContact CD1-CB 3.78Å; F887-C943 HydrophobicContact CE1-CB 3.65Å; F887-C943 HydrophobicContact CZ-CB 4.33Å; F887-H945 AromaticContact CD1-CE1 3.38Å; F887-H945 WeakPolarHBondContact CD1-CE1 3.4Å; F887-H945 AromaticContact CD1-NE2 3.54Å; F887-H945 AromaticContact CE1-CE1 3.8Å; F887-H945 AromaticContact CE1-NE2 3.44Å; F887-H945 WeakPolarHBondContact CE1-NE2 3.39Å
888A86.6Confident92.1Very high1 Ų131.7 Ų31.71%0.00818%0.183CC..SBendtrans-71.2-37.8-177.700000112.9A914 Q917 T918 V942 F954A888-A914 WeakPolarHBondContact O-CB 3.49Å; A888-Q917 PolarHBondContact O-NE2 2.92Å; A888-T918 WeakPolarHBondContact CA-OG1 3.33Å; A888-T918 WeakPolarHBondContact CB-OG1 3.48Å; A888-V942 HydrophobicContact CB-CG1 4.26Å; A888-F954 HydrophobicContact CB-CE1 3.68Å; A888-F954 HydrophobicContact CB-CZ 3.96Å
889D86.1Confident92Very high31 Ų3127.7 Ų27.717%0.16617%0.168CC..SBendtrans-103.98.9-16763.7-23.6000113.8L907 I908 H945D889-L907 CarbonylContact O-C 3.1Å; D889-L907 WeakPolarHBondContact O-CA 3.46Å; D889-I908 PolarHBondContact O-N 3.29Å; D889-H945 IonicContact OD1-CE1 3.65Å; D889-H945 PolarHBondContact OD1-CE1 2.93Å; D889-H945 IonicContact OD1-ND1 3.09Å; D889-H945 PolarHBondContact OD1-ND1 3.35Å; D889-H945 VanDerWaalsContact OD1-ND1 3.14Å; D889-H945 IonicContact OD2-CE1 3.97Å; D889-H945 IonicContact OD2-CG 3.89Å; D889-H945 IonicContact OD2-ND1 2.73Å; D889-H945 PolarHBondContact OD2-ND1 2.74Å
890R89.9Confident91.7Very high12 Ų1227 Ų275%0.04515%0.152CC..BIsolated β-bridgetrans-111.4145.8-176.3-63.3-69.2-63.5-76.1-5112.2F887 Y892 L898 V899 A906 Q917F887-R890 HydrophobicContact CB-CB 3.81Å; F887-R890 HydrophobicContact CB-CG 3.62Å; F887-R890 HydrophobicContact CD1-CG 4.38Å; F887-R890 HydrophobicContact CG-CG 4.1Å; R890-Y892 WeakPolarHBondContact O-CD2 3.4Å; R890-Y892 WeakPolarHBondContact O-CE2 3.27Å; R890-L898 HydrophobicContact CB-CD2 3.79Å; R890-L898 HydrophobicContact CG-CD2 4.42Å; R890-V899 PolarHBondContact NH2-O 2.85Å; R890-A906 WeakPolarHBondContact CA-O 3.37Å; R890-A906 WeakPolarHBondContact CD-O 3.29Å; R890-A906 PolarHBondContact NE-O 3.17Å; R890-Q917 PolarHBondContact O-NE2 3.28Å
891G91.1Very high91.1Very high5 Ų531.9 Ų31.95%0.05217%0.17CC..  trans-77.1150.1167.600000112.5V899 A906G891-V899 VanDerWaalsContact C-CG2 3.49Å; G891-V899 WeakPolarHBondContact O-CG2 3.49Å; G891-V899 PolarHBondContact O-N 2.89Å; G891-A906 PolarHBondContact N-O 2.89Å; G891-A906 VanDerWaalsContact N-O 3.15Å
892Y93.2Very high90.4Very high1 Ų133.5 Ų33.50%0.00418%0.184CC..BIsolated β-bridgetrans-117.2151.1179.7-70.6-102.9000112.1F887 R890 G896 S897 L898 M921 V927 S929 I930F887-Y892 PolarHBondContact N-OH 2.98Å; F887-Y892 PolarHBondContact O-OH 3.45Å; R890-Y892 WeakPolarHBondContact O-CD2 3.4Å; R890-Y892 WeakPolarHBondContact O-CE2 3.27Å; Y892-G896 WeakPolarHBondContact CD1-O 3.19Å; Y892-S897 CarbonylContact C-O 3.59Å; Y892-S897 WeakPolarHBondContact CA-O 3.01Å; Y892-L898 HydrophobicContact CD1-CD2 4.16Å; Y892-L898 HydrophobicContact CE1-CD2 3.75Å; Y892-L898 HydrophobicContact CE2-CD2 4.23Å; Y892-M921 HydrophobicContact CE2-SD 4.03Å; Y892-V927 HydrophobicContact CD1-CG1 3.8Å; Y892-V927 HydrophobicContact CD2-CB 4.35Å; Y892-V927 HydrophobicContact CD2-CG1 4.12Å; Y892-V927 HydrophobicContact CD2-CG2 3.44Å; Y892-V927 VanDerWaalsContact CD2-CG2 3.44Å; Y892-V927 HydrophobicContact CE1-CG1 4.36Å; Y892-V927 HydrophobicContact CE2-CG2 3.87Å; Y892-V927 HydrophobicContact CG-CB 4.37Å; Y892-V927 HydrophobicContact CG-CG1 3.65Å; Y892-V927 HydrophobicContact CG-CG2 3.86Å; Y892-S929 CarbonylContact O-C 3.48Å; Y892-S929 VanDerWaalsContact O-CA 3.23Å; Y892-S929 WeakPolarHBondContact O-CA 3.28Å; Y892-I930 PolarHBondContact O-N 3.19Å
893Q91.7Very high89.8Confident55 Ų5536.9 Ų36.926%0.25720%0.199SC..  trans-90.8167.5170-65.5-178.979.900110.2D895 G896 S897 L898 V899Q893-D895 WeakPolarHBondContact CB-OD1 3.25Å; Q893-D895 PolarHBondContact O-N 2.76Å; Q893-D895 VanDerWaalsContact O-N 3.15Å; Q893-G896 PolarHBondContact O-N 3.29Å; Q893-S897 PolarHBondContact N-O 3.43Å; Q893-S897 PolarHBondContact NE2-OG 3.44Å; Q893-L898 PolarHBondContact NE2-O 3.12Å; Q893-L898 VanDerWaalsContact NE2-O 3.1Å; Q893-V899 HydrophobicContact CG-CG2 4.03Å
894A90Very high89.3Confident53 Ų5338.9 Ų38.944%0.43822%0.222SC..THydrogen-bonded Turntrans-61.5-22-178.400000113.8G896A894-G896 VanDerWaalsContact C-N 3.33Å
895D88.5Confident88.8Confident117 Ų11740.2 Ų40.263%0.62624%0.241SC*.THydrogen-bonded Turntrans-86.71.9175.970.9-12.3000113.8Q893 S897Q893-D895 WeakPolarHBondContact CB-OD1 3.25Å; Q893-D895 PolarHBondContact O-N 2.76Å; Q893-D895 VanDerWaalsContact O-N 3.15Å; D895-S897 VanDerWaalsContact C-N 3.29Å; D895-S897 WeakPolarHBondContact OD1-CB 3.48Å; D895-S897 PolarHBondContact OD1-N 2.66Å; D895-S897 PolarHBondContact OD1-OG 3.24Å; D895-S897 PolarHBondContact OD2-OG 2.85Å
896G87.2Confident88.3Confident6 Ų640.5 Ų40.56%0.06224%0.243CC..SBendtrans81.22.4-175.800000114.4Y892 Q893 A894Y892-G896 WeakPolarHBondContact CD1-O 3.19Å; Q893-G896 PolarHBondContact O-N 3.29Å; A894-G896 VanDerWaalsContact C-N 3.33Å
897S89.8Confident88Confident13 Ų1344.9 Ų44.99%0.09127%0.266CS..PPolyproline II helixtrans-79.6154.7173.673.30000112Y892 Q893 D895Y892-S897 CarbonylContact C-O 3.59Å; Y892-S897 WeakPolarHBondContact CA-O 3.01Å; Q893-S897 PolarHBondContact N-O 3.43Å; Q893-S897 PolarHBondContact NE2-OG 3.44Å; D895-S897 VanDerWaalsContact C-N 3.29Å; D895-S897 WeakPolarHBondContact OD1-CB 3.48Å; D895-S897 PolarHBondContact OD1-N 2.66Å; D895-S897 PolarHBondContact OD1-OG 3.24Å; D895-S897 PolarHBondContact OD2-OG 2.85Å
898L91.1Very high87.7Confident13 Ų1345.4 Ų45.47%0.06827%0.269CS..BIsolated β-bridgetrans-70.4143.8178.7-63.4175000111.7L866 F887 R890 Y892 Q893L866-L898 HydrophobicContact CD1-CD1 4.19Å; L866-L898 HydrophobicContact CD1-CD2 4.29Å; L866-L898 HydrophobicContact CD1-CG 3.94Å; L866-L898 HydrophobicContact CD2-CG 4.21Å; F887-L898 HydrophobicContact CB-CD2 4.44Å; F887-L898 HydrophobicContact CD2-CD1 3.68Å; F887-L898 HydrophobicContact CD2-CD2 3.96Å; F887-L898 HydrophobicContact CD2-CG 4.34Å; F887-L898 HydrophobicContact CE2-CD1 3.71Å; F887-L898 HydrophobicContact CG-CD1 4.39Å; F887-L898 HydrophobicContact CG-CD2 4.49Å; F887-L898 HydrophobicContact CZ-CD1 4.43Å; R890-L898 HydrophobicContact CB-CD2 3.79Å; R890-L898 HydrophobicContact CG-CD2 4.42Å; Y892-L898 HydrophobicContact CD1-CD2 4.16Å; Y892-L898 HydrophobicContact CE1-CD2 3.75Å; Y892-L898 HydrophobicContact CE2-CD2 4.23Å; Q893-L898 PolarHBondContact NE2-O 3.12Å; Q893-L898 VanDerWaalsContact NE2-O 3.1Å
899V90.1Very high87.4Confident0 Ų054.3 Ų54.30%031%0.311CS..PPolyproline II helixtrans-66.6132171.1176.40000109.3R890 G891 Q893 R901 Q903 A906 I930R890-V899 PolarHBondContact NH2-O 2.85Å; G891-V899 VanDerWaalsContact C-CG2 3.49Å; G891-V899 WeakPolarHBondContact O-CG2 3.49Å; G891-V899 PolarHBondContact O-N 2.89Å; Q893-V899 HydrophobicContact CG-CG2 4.03Å; V899-R901 PolarHBondContact O-N 3.4Å; V899-Q903 HydrophobicContact CG1-CB 3.88Å; V899-A906 HydrophobicContact CB-CB 4.37Å; V899-A906 HydrophobicContact CG1-CB 3.91Å; V899-I930 HydrophobicContact CG2-CD1 4.04Å; V899-I930 HydrophobicContact CG2-CG1 4.27Å; V899-I930 HydrophobicContact CG2-CG2 3.63Å
900P86Confident87.4Confident48 Ų4857 Ų5731%0.31233%0.325SS..PPolyproline II helixtrans-56.6136.3175.4-25.234.3000111.7S902 Q903 A906P900-S902 PolarHBondContact O-N 3.35Å; P900-Q903 HydrophobicContact CB-CG 4.26Å; P900-Q903 HydrophobicContact CG-CG 4.48Å; P900-Q903 PolarHBondContact O-N 3.24Å; P900-A906 VanDerWaalsContact O-CB 3.29Å; P900-A906 WeakPolarHBondContact O-CB 3.12Å
901R82.4Confident87.2Confident112 Ų11259.3 Ų59.342%0.42334%0.336SS..THydrogen-bonded Turntrans-57.9-20.4-177.7-75-168.1175.8-145.81.3114.6V899 Q903V899-R901 PolarHBondContact O-N 3.4Å; R901-Q903 VanDerWaalsContact C-N 3.32Å
902S81.3Confident87Confident112 Ų11265 Ų6578%0.78336%0.362SS*.THydrogen-bonded Turntrans-80-8.9176.8530000114.3P900P900-S902 PolarHBondContact O-N 3.35Å
903Q85Confident86.8Confident87 Ų8770.1 Ų70.141%0.40739%0.386SS..SBendtrans-98.7147.2-177.3-67.4-177.54.900111.9V899 P900 R901 A906V899-Q903 HydrophobicContact CG1-CB 3.88Å; P900-Q903 HydrophobicContact CB-CG 4.26Å; P900-Q903 HydrophobicContact CG-CG 4.48Å; P900-Q903 PolarHBondContact O-N 3.24Å; R901-Q903 VanDerWaalsContact C-N 3.32Å; Q903-A906 VanDerWaalsContact O-CB 3.31Å; Q903-A906 WeakPolarHBondContact O-CB 3.33Å; Q903-A906 PolarHBondContact O-N 3.11Å
904P85.6Confident86.7Confident124 Ų12467.7 Ų67.781%0.80538%0.375SS*.THydrogen-bonded Turntrans-54.9138.2168.9-23.433.5000111.6
905G85.8Confident86.8Confident47 Ų4766 Ų6649%0.48536%0.359SS..THydrogen-bonded Turntrans82.68-178.800000115.2L907G905-L907 VanDerWaalsContact C-N 3.31Å; G905-L907 PolarHBondContact O-N 3.31Å
906A87.1Confident86.9Confident6 Ų663 Ų635%0.0535%0.35CS..SBendtrans-68.4-27.7177.800000114.5R890 G891 V899 P900 Q903R890-A906 WeakPolarHBondContact CA-O 3.37Å; R890-A906 WeakPolarHBondContact CD-O 3.29Å; R890-A906 PolarHBondContact NE-O 3.17Å; G891-A906 PolarHBondContact N-O 2.89Å; G891-A906 VanDerWaalsContact N-O 3.15Å; V899-A906 HydrophobicContact CB-CB 4.37Å; V899-A906 HydrophobicContact CG1-CB 3.91Å; P900-A906 VanDerWaalsContact O-CB 3.29Å; P900-A906 WeakPolarHBondContact O-CB 3.12Å; Q903-A906 VanDerWaalsContact O-CB 3.31Å; Q903-A906 WeakPolarHBondContact O-CB 3.33Å; Q903-A906 PolarHBondContact O-N 3.11Å
907L86.9Confident87.2Confident92 Ų9264 Ų6448%0.48235%0.353SS..BIsolated β-bridgetrans-123.8140.4-178.8-105.4133.6000110.2D889 G905D889-L907 CarbonylContact O-C 3.1Å; D889-L907 WeakPolarHBondContact O-CA 3.46Å; G905-L907 VanDerWaalsContact C-N 3.31Å; G905-L907 PolarHBondContact O-N 3.31Å
908I85.9Confident87.4Confident18 Ų1863.4 Ų63.49%0.09235%0.349CS..  trans-102.9106.7175-60170.9000107.6D889 N910 Q913 A914D889-I908 PolarHBondContact O-N 3.29Å; I908-N910 WeakPolarHBondContact CG2-O 3.45Å; I908-Q913 HydrophobicContact CG2-CB 3.76Å; I908-Q913 HydrophobicContact CG2-CG 3.75Å; I908-A914 HydrophobicContact CG2-CB 4.1Å
909E81.2Confident87.4Confident189 Ų18963.9 Ų63.988%0.88335%0.352SS*.  trans-81.2-21.6-179.1-62.5-179.1174.700112.8
910N86.4Confident87.6Confident87 Ų8766.5 Ų66.547%0.46536%0.364SS..  trans-84.1116.6-179.8-177.7-49000111I908 E912 Q913 A914I908-N910 WeakPolarHBondContact CG2-O 3.45Å; N910-E912 VanDerWaalsContact C-N 3.33Å; N910-E912 PolarHBondContact O-N 3.44Å; N910-E912 WeakPolarHBondContact OD1-CA 3.4Å; N910-E912 WeakPolarHBondContact OD1-CB 3.46Å; N910-E912 PolarHBondContact OD1-N 2.98Å; N910-Q913 HydrophobicContact CB-CB 3.95Å; N910-Q913 PolarHBondContact O-N 3.36Å; N910-Q913 PolarHBondContact OD1-N 3.3Å; N910-A914 PolarHBondContact O-N 3.1Å
911E84.5Confident87.9Confident60 Ų6064.2 Ų64.228%0.2835%0.349SS..Hα-helixtrans-59.3-37.4179.7-68.5-173.7175.400113.9A914 L915 H950 F954 R957E911-A914 PolarHBondContact O-N 2.8Å; E911-L915 VanDerWaalsContact O-CB 3.3Å; E911-L915 WeakPolarHBondContact O-CB 3.41Å; E911-L915 PolarHBondContact O-N 3.15Å; E911-H950 IonicContact OE1-ND1 3.86Å; E911-F954 HydrophobicContact CB-CD2 4.41Å; E911-F954 HydrophobicContact CG-CD2 4.41Å; E911-R957 IonicContact OE2-NH1 3.02Å; E911-R957 PolarHBondContact OE2-NH1 2.95Å
912E87.8Confident88.3Confident126 Ų12659.7 Ų59.759%0.58933%0.333SS*.Hα-helixtrans-68.9-38.5178.8-64.1-157150.800111.6N910 L915 A916 R957N910-E912 VanDerWaalsContact C-N 3.33Å; N910-E912 PolarHBondContact O-N 3.44Å; N910-E912 WeakPolarHBondContact OD1-CA 3.4Å; N910-E912 WeakPolarHBondContact OD1-CB 3.46Å; N910-E912 PolarHBondContact OD1-N 2.98Å; E912-L915 PolarHBondContact O-N 2.91Å; E912-A916 VanDerWaalsContact O-CB 3.31Å; E912-A916 WeakPolarHBondContact O-CB 3.42Å; E912-A916 PolarHBondContact O-N 3.13Å; E912-R957 IonicContact OE1-NH2 3.29Å; E912-R957 PolarHBondContact OE1-NH2 3.04Å
913Q89.5Confident88.6Confident107 Ų10757.8 Ų57.850%0.531%0.312SS..Hα-helixtrans-64.6-45.1175.3-174.6-178.5-5.100111.2I908 N910 L915 A916 Q917I908-Q913 HydrophobicContact CG2-CB 3.76Å; I908-Q913 HydrophobicContact CG2-CG 3.75Å; N910-Q913 HydrophobicContact CB-CB 3.95Å; N910-Q913 PolarHBondContact O-N 3.36Å; N910-Q913 PolarHBondContact OD1-N 3.3Å; Q913-L915 VanDerWaalsContact C-N 3.34Å; Q913-L915 PolarHBondContact O-N 3.05Å; Q913-A916 PolarHBondContact O-N 2.88Å; Q913-Q917 WeakPolarHBondContact O-CB 3.38Å; Q913-Q917 PolarHBondContact O-N 2.82Å
914A89.5Confident88.7Confident4 Ų458.9 Ų58.93%0.03332%0.317CS..Hα-helixtrans-62.8-40.3176.700000111.8A888 I908 N910 E911 T918 F954A888-A914 WeakPolarHBondContact O-CB 3.49Å; I908-A914 HydrophobicContact CG2-CB 4.1Å; N910-A914 PolarHBondContact O-N 3.1Å; E911-A914 PolarHBondContact O-N 2.8Å; A914-T918 WeakPolarHBondContact O-CB 3.36Å; A914-T918 PolarHBondContact O-N 2.86Å; A914-T918 PolarHBondContact O-OG1 2.9Å; A914-F954 HydrophobicContact CB-CE2 3.97Å; A914-F954 HydrophobicContact CB-CZ 3.71Å
915L91.1Very high89Confident18 Ų1854.1 Ų54.19%0.09429%0.291CS..Hα-helixtrans-65.1-46.5176.1-174.865.1000111.8E911 E912 Q913 T918 L919 F954 R957 L958 T961E911-L915 VanDerWaalsContact O-CB 3.3Å; E911-L915 WeakPolarHBondContact O-CB 3.41Å; E911-L915 PolarHBondContact O-N 3.15Å; E912-L915 PolarHBondContact O-N 2.91Å; Q913-L915 VanDerWaalsContact C-N 3.34Å; Q913-L915 PolarHBondContact O-N 3.05Å; L915-T918 PolarHBondContact O-N 2.81Å; L915-L919 WeakPolarHBondContact O-CG 3.4Å; L915-L919 PolarHBondContact O-N 3.41Å; L915-F954 HydrophobicContact CB-CE2 4.4Å; L915-R957 HydrophobicContact CD2-CG 4.33Å; L915-L958 HydrophobicContact CD1-CD2 3.67Å; L915-L958 HydrophobicContact CD1-CG 4.07Å; L915-T961 HydrophobicContact CD1-CG2 4.13Å; L915-T961 HydrophobicContact CD2-CG2 4.28Å; L915-T961 HydrophobicContact CG-CG2 4.44Å
916A91.8Very high89.4Confident55 Ų5556.2 Ų56.246%0.45528%0.284SS..Hα-helixtrans-61.9-44.217800000111.6E912 Q913 T918 L919 E920E912-A916 VanDerWaalsContact O-CB 3.31Å; E912-A916 WeakPolarHBondContact O-CB 3.42Å; E912-A916 PolarHBondContact O-N 3.13Å; Q913-A916 PolarHBondContact O-N 2.88Å; A916-T918 VanDerWaalsContact C-N 3.33Å; A916-T918 PolarHBondContact O-N 2.96Å; A916-L919 PolarHBondContact O-N 3.29Å; A916-E920 PolarHBondContact O-N 2.97Å
917Q92.8Very high89.7Confident27 Ų2756 Ų5613%0.12628%0.282CS..Hα-helixtrans-59.4-44.6174.5-176.4173.5-91.600111.5A888 R890 Q913 L919 E920 M921 V927A888-Q917 PolarHBondContact O-NE2 2.92Å; R890-Q917 PolarHBondContact O-NE2 3.28Å; Q913-Q917 WeakPolarHBondContact O-CB 3.38Å; Q913-Q917 PolarHBondContact O-N 2.82Å; Q917-L919 VanDerWaalsContact C-N 3.34Å; Q917-L919 PolarHBondContact O-N 3.29Å; Q917-E920 PolarHBondContact O-N 3.02Å; Q917-M921 HydrophobicContact CG-CE 4.04Å; Q917-M921 HydrophobicContact CG-SD 4.43Å; Q917-M921 WeakPolarHBondContact O-CG 3.4Å; Q917-M921 PolarHBondContact O-N 2.85Å; Q917-V927 HydrophobicContact CG-CG2 3.8Å
918T93Very high90Very high0 Ų057.2 Ų57.20%028%0.283CS..Hα-helixtrans-61.8-42.3179.1-55.90000111.7A888 A914 L915 A916 M921 V922 V942 L958 F962A888-T918 WeakPolarHBondContact CA-OG1 3.33Å; A888-T918 WeakPolarHBondContact CB-OG1 3.48Å; A914-T918 WeakPolarHBondContact O-CB 3.36Å; A914-T918 PolarHBondContact O-N 2.86Å; A914-T918 PolarHBondContact O-OG1 2.9Å; L915-T918 PolarHBondContact O-N 2.81Å; A916-T918 VanDerWaalsContact C-N 3.33Å; A916-T918 PolarHBondContact O-N 2.96Å; T918-M921 PolarHBondContact O-N 3.45Å; T918-V922 HydrophobicContact CG2-CG2 4.33Å; T918-V922 WeakPolarHBondContact O-CB 3.3Å; T918-V922 VanDerWaalsContact O-CG2 3.28Å; T918-V922 WeakPolarHBondContact O-CG2 3.27Å; T918-V922 PolarHBondContact O-N 3.26Å; T918-V942 HydrophobicContact CG2-CG1 4.08Å; T918-V942 HydrophobicContact CG2-CG2 4.15Å; T918-L958 HydrophobicContact CG2-CD2 3.72Å; T918-F962 HydrophobicContact CG2-CE1 4.23Å; T918-F962 HydrophobicContact CG2-CZ 3.84Å
919L92Very high90.3Very high23 Ų2356.8 Ų56.812%0.1228%0.282CS..Hα-helixtrans-64.4-41.9176.4-72173.4000112.3L915 A916 Q917 M921 V922 Q923 T961 F962 K965 I967L915-L919 WeakPolarHBondContact O-CG 3.4Å; L915-L919 PolarHBondContact O-N 3.41Å; A916-L919 PolarHBondContact O-N 3.29Å; Q917-L919 VanDerWaalsContact C-N 3.34Å; Q917-L919 PolarHBondContact O-N 3.29Å; L919-M921 VanDerWaalsContact C-N 3.35Å; L919-M921 PolarHBondContact O-N 2.8Å; L919-V922 PolarHBondContact O-N 2.87Å; L919-Q923 VanDerWaalsContact O-CB 3.27Å; L919-Q923 WeakPolarHBondContact O-CB 3.41Å; L919-Q923 VanDerWaalsContact O-CG 3.31Å; L919-Q923 WeakPolarHBondContact O-CG 3.28Å; L919-Q923 PolarHBondContact O-N 3.39Å; L919-T961 HydrophobicContact CD1-CG2 3.95Å; L919-T961 HydrophobicContact CD2-CG2 4.24Å; L919-F962 HydrophobicContact CD2-CD1 4.24Å; L919-F962 HydrophobicContact CD2-CE1 4.17Å; L919-K965 HydrophobicContact CD2-CG 4.17Å; L919-I967 HydrophobicContact CD2-CD1 4.24Å
920E93.1Very high90.8Very high54 Ų5452 Ų5225%0.25226%0.262SS..Hα-helixtrans-59.5-44.5174.6-82.1-69.815500111.9A916 Q917 H924 G925 R926A916-E920 PolarHBondContact O-N 2.97Å; Q917-E920 PolarHBondContact O-N 3.02Å; E920-H924 CarbonylContact O-C 3.58Å; E920-H924 WeakPolarHBondContact O-CA 3.34Å; E920-H924 WeakPolarHBondContact O-CB 3.27Å; E920-H924 PolarHBondContact O-N 3.13Å; E920-H924 IonicContact OE1-CD2 2.77Å; E920-H924 IonicContact OE2-CD2 2.72Å; E920-H924 PolarHBondContact OE2-CD2 3.39Å; E920-H924 IonicContact OE2-CG 2.85Å; E920-G925 PolarHBondContact O-N 3.47Å; E920-R926 CarbonylContact C-O 3.56Å; E920-R926 IonicContact OE1-NH2 3.56Å; E920-R926 IonicContact OE2-CZ 2.66Å; E920-R926 IonicContact OE2-NE 2.68Å; E920-R926 PolarHBondContact OE2-NE 3.28Å; E920-R926 IonicContact OE2-NH2 3.09Å; E920-R926 PolarHBondContact OE2-NH2 3.29Å
921M93.8Very high91Very high1 Ų152.8 Ų52.81%0.00527%0.27CS..Hα-helixtrans-64.1-43.8178.1-67.9-174.2-6300112.2V886 Y892 Q917 T918 L919 G925 R926 V927 V937 A939V886-M921 HydrophobicContact CB-CE 4Å; V886-M921 HydrophobicContact CB-SD 3.72Å; V886-M921 HydrophobicContact CG1-SD 3.98Å; V886-M921 HydrophobicContact CG2-CB 4.45Å; V886-M921 HydrophobicContact CG2-CE 3.92Å; V886-M921 HydrophobicContact CG2-SD 4.13Å; Y892-M921 HydrophobicContact CE2-SD 4.03Å; Q917-M921 HydrophobicContact CG-CE 4.04Å; Q917-M921 HydrophobicContact CG-SD 4.43Å; Q917-M921 WeakPolarHBondContact O-CG 3.4Å; Q917-M921 PolarHBondContact O-N 2.85Å; T918-M921 PolarHBondContact O-N 3.45Å; L919-M921 VanDerWaalsContact C-N 3.35Å; L919-M921 PolarHBondContact O-N 2.8Å; M921-G925 WeakPolarHBondContact O-CA 3.35Å; M921-G925 PolarHBondContact O-N 2.95Å; M921-G925 VanDerWaalsContact O-N 3.14Å; M921-R926 WeakPolarHBondContact CA-O 3.44Å; M921-R926 WeakPolarHBondContact CG-O 3.29Å; M921-R926 PolarHBondContact N-O 3.48Å; M921-V927 HydrophobicContact CG-CB 3.9Å; M921-V927 HydrophobicContact CG-CG2 4.25Å; M921-V927 HydrophobicContact SD-CB 4.07Å; M921-V927 HydrophobicContact SD-CG2 4.03Å; M921-V937 HydrophobicContact CB-CG2 4.16Å; M921-V937 HydrophobicContact CG-CG2 3.82Å; M921-V937 HydrophobicContact SD-CG2 4.3Å; M921-A939 HydrophobicContact CB-CB 4.23Å
922V90.7Very high91.2Very high16 Ų1651.6 Ų51.610%0.09727%0.273CS..Hα-helixtrans-75-41.5-176.5175.40000112.1M728 I730 T918 L919 A939 V942 F962 I967M728-V922 HydrophobicContact CE-CG1 3.9Å; M728-V922 WeakPolarHBondContact CE-O 3.28Å; I730-V922 HydrophobicContact CD1-CG1 4.46Å; I730-V922 HydrophobicContact CD1-CG2 3.95Å; I730-V922 HydrophobicContact CG1-CG2 4.14Å; T918-V922 HydrophobicContact CG2-CG2 4.33Å; T918-V922 WeakPolarHBondContact O-CB 3.3Å; T918-V922 VanDerWaalsContact O-CG2 3.28Å; T918-V922 WeakPolarHBondContact O-CG2 3.27Å; T918-V922 PolarHBondContact O-N 3.26Å; L919-V922 PolarHBondContact O-N 2.87Å; V922-A939 HydrophobicContact CG2-CB 4.2Å; V922-V942 HydrophobicContact CG2-CG2 4.13Å; V922-F962 HydrophobicContact CG2-CE1 4.5Å; V922-F962 HydrophobicContact CG2-CZ 4.32Å; V922-I967 HydrophobicContact CG1-CD1 3.87Å; V922-I967 HydrophobicContact CG1-CG2 4.24Å
923Q87.4Confident91.3Very high73 Ų7350.4 Ų50.434%0.34127%0.268SS..Hα-helixtrans-88.9-30.7-174.4-57.3-172.6-7600113.8M728 L919 I967M728-Q923 HydrophobicContact CE-CB 3.98Å; M728-Q923 HydrophobicContact CE-CG 3.61Å; L919-Q923 VanDerWaalsContact O-CB 3.27Å; L919-Q923 WeakPolarHBondContact O-CB 3.41Å; L919-Q923 VanDerWaalsContact O-CG 3.31Å; L919-Q923 WeakPolarHBondContact O-CG 3.28Å; L919-Q923 PolarHBondContact O-N 3.39Å; Q923-I967 HydrophobicContact CG-CD1 4.22Å
924H87.4Confident91.5Very high109 Ų10951.5 Ų51.551%0.50527%0.267SS..Hα-helixtrans-122.7-5.6-171-57.6-55.5000113.8E920 R926E920-H924 CarbonylContact O-C 3.58Å; E920-H924 WeakPolarHBondContact O-CA 3.34Å; E920-H924 WeakPolarHBondContact O-CB 3.27Å; E920-H924 PolarHBondContact O-N 3.13Å; E920-H924 IonicContact OE1-CD2 2.77Å; E920-H924 IonicContact OE2-CD2 2.72Å; E920-H924 PolarHBondContact OE2-CD2 3.39Å; E920-H924 IonicContact OE2-CG 2.85Å; H924-R926 VanDerWaalsContact C-N 3.3Å; H924-R926 HydrophobicContact CB-CG 4Å; H924-R926 PolarHBondContact O-N 3.41Å
925G91.1Very high91.5Very high24 Ų2451.6 Ų51.625%0.24727%0.268CS..SBendtrans6532.6176.300000113.5E920 M921 V937E920-G925 PolarHBondContact O-N 3.47Å; M921-G925 WeakPolarHBondContact O-CA 3.35Å; M921-G925 PolarHBondContact O-N 2.95Å; M921-G925 VanDerWaalsContact O-N 3.14Å; G925-V937 CarbonylContact C-O 3.52Å; G925-V937 WeakPolarHBondContact CA-O 3.47Å; G925-V937 PolarHBondContact O-N 3.46Å
926R93.4Very high91.5Very high92 Ų9256.9 Ų56.935%0.34730%0.301SS..EExtended strand (participates in β ladder)trans-145.3155.8-177.165.4-178-177.3-176.40.3112.7E920 M921 H924 W934 A935E920-R926 CarbonylContact C-O 3.56Å; E920-R926 IonicContact OE1-NH2 3.56Å; E920-R926 IonicContact OE2-CZ 2.66Å; E920-R926 IonicContact OE2-NE 2.68Å; E920-R926 PolarHBondContact OE2-NE 3.28Å; E920-R926 IonicContact OE2-NH2 3.09Å; E920-R926 PolarHBondContact OE2-NH2 3.29Å; M921-R926 WeakPolarHBondContact CA-O 3.44Å; M921-R926 WeakPolarHBondContact CG-O 3.29Å; M921-R926 PolarHBondContact N-O 3.48Å; H924-R926 VanDerWaalsContact C-N 3.3Å; H924-R926 HydrophobicContact CB-CG 4Å; H924-R926 PolarHBondContact O-N 3.41Å; R926-W934 HydrophobicContact CB-CE3 4.07Å; R926-W934 HydrophobicContact CG-CE3 3.77Å; R926-W934 HydrophobicContact CG-CZ3 3.92Å; R926-A935 CarbonylContact C-O 3.58Å; R926-A935 VanDerWaalsContact CA-O 3.24Å; R926-A935 WeakPolarHBondContact CA-O 3.46Å
927V93.6Very high91.4Very high1 Ų154.5 Ų54.51%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-139.8147.4175.567.10000110.3Y892 Q917 M921 A935 V937Y892-V927 HydrophobicContact CD1-CG1 3.8Å; Y892-V927 HydrophobicContact CD2-CB 4.35Å; Y892-V927 HydrophobicContact CD2-CG1 4.12Å; Y892-V927 HydrophobicContact CD2-CG2 3.44Å; Y892-V927 VanDerWaalsContact CD2-CG2 3.44Å; Y892-V927 HydrophobicContact CE1-CG1 4.36Å; Y892-V927 HydrophobicContact CE2-CG2 3.87Å; Y892-V927 HydrophobicContact CG-CB 4.37Å; Y892-V927 HydrophobicContact CG-CG1 3.65Å; Y892-V927 HydrophobicContact CG-CG2 3.86Å; Q917-V927 HydrophobicContact CG-CG2 3.8Å; M921-V927 HydrophobicContact CG-CB 3.9Å; M921-V927 HydrophobicContact CG-CG2 4.25Å; M921-V927 HydrophobicContact SD-CB 4.07Å; M921-V927 HydrophobicContact SD-CG2 4.03Å; V927-A935 HydrophobicContact CG1-CB 4.11Å; V927-A935 PolarHBondContact N-O 2.82Å; V927-A935 PolarHBondContact O-N 2.99Å; V927-V937 HydrophobicContact CB-CG2 4.32Å; V927-V937 HydrophobicContact CG1-CG1 3.8Å; V927-V937 HydrophobicContact CG1-CG2 4.28Å
928K93.4Very high91.4Very high117 Ų11756.5 Ų56.551%0.50930%0.295SS..EExtended strand (participates in β ladder)trans-87.1128.5178.7-160.1172.9-173.1178.70109.8G932 E933 W934K928-G932 VanDerWaalsContact CE-O 3.27Å; K928-G932 WeakPolarHBondContact CE-O 3.38Å; K928-E933 CarbonylContact C-O 3.55Å; K928-E933 WeakPolarHBondContact CA-O 3.36Å; K928-W934 HydrophobicContact CB-CE3 4.18Å; K928-W934 HydrophobicContact CB-CH2 4.3Å; K928-W934 HydrophobicContact CB-CZ3 4.01Å
929S92.8Very high91.3Very high9 Ų957.4 Ų57.46%0.06330%0.303CS..BIsolated β-bridgetrans-71.9163.1176.974.10000111.3Y892 T931 G932 E933Y892-S929 CarbonylContact O-C 3.48Å; Y892-S929 VanDerWaalsContact O-CA 3.23Å; Y892-S929 WeakPolarHBondContact O-CA 3.28Å; S929-T931 PolarHBondContact O-N 2.76Å; S929-T931 PolarHBondContact OG-N 3.32Å; S929-T931 PolarHBondContact OG-OG1 2.84Å; S929-G932 PolarHBondContact O-N 2.96Å; S929-G932 PolarHBondContact OG-N 3.44Å; S929-E933 PolarHBondContact N-O 3.42Å; S929-E933 PolarHBondContact OG-N 3.4Å; S929-E933 PolarHBondContact OG-O 3.19Å; S929-E933 PolarHBondContact OG-OE2 2.89Å
930I91.1Very high91.4Very high90 Ų9059.1 Ų59.146%0.46231%0.31SS..THydrogen-bonded Turntrans-61.7-20172.258.8166.1000113.7Y892 V899Y892-I930 PolarHBondContact O-N 3.19Å; V899-I930 HydrophobicContact CG2-CD1 4.04Å; V899-I930 HydrophobicContact CG2-CG1 4.27Å; V899-I930 HydrophobicContact CG2-CG2 3.63Å
931T90.4Very high91.5Very high103 Ų10356.5 Ų56.563%0.63230%0.298SS*.THydrogen-bonded Turntrans-93.7-6.8176.338.60000112.9S929 E933S929-T931 PolarHBondContact O-N 2.76Å; S929-T931 PolarHBondContact OG-N 3.32Å; S929-T931 PolarHBondContact OG-OG1 2.84Å; T931-E933 VanDerWaalsContact CB-OE2 3.27Å; T931-E933 WeakPolarHBondContact CB-OE2 3.49Å; T931-E933 PolarHBondContact OG1-OE2 2.93Å
932G88.6Confident91.5Very high34 Ų3456.5 Ų56.535%0.35130%0.298SS..SBendtrans102-7.9171.400000116K928 S929K928-G932 VanDerWaalsContact CE-O 3.27Å; K928-G932 WeakPolarHBondContact CE-O 3.38Å; S929-G932 PolarHBondContact O-N 2.96Å; S929-G932 PolarHBondContact OG-N 3.44Å
933E91.7Very high91.5Very high102 Ų10255.7 Ų55.748%0.47729%0.293SS..PPolyproline II helixtrans-73.9158.9175-51.4106.5142.800112.6K928 S929 T931K928-E933 CarbonylContact C-O 3.55Å; K928-E933 WeakPolarHBondContact CA-O 3.36Å; S929-E933 PolarHBondContact N-O 3.42Å; S929-E933 PolarHBondContact OG-N 3.4Å; S929-E933 PolarHBondContact OG-O 3.19Å; S929-E933 PolarHBondContact OG-OE2 2.89Å; T931-E933 VanDerWaalsContact CB-OE2 3.27Å; T931-E933 WeakPolarHBondContact CB-OE2 3.49Å; T931-E933 PolarHBondContact OG1-OE2 2.93Å
934W93.2Very high91.1Very high129 Ų12952.5 Ų52.549%0.48928%0.278SS..EExtended strand (participates in β ladder)trans-91.9122.2172.9-69.4103000110.8R926 K928R926-W934 HydrophobicContact CB-CE3 4.07Å; R926-W934 HydrophobicContact CG-CE3 3.77Å; R926-W934 HydrophobicContact CG-CZ3 3.92Å; K928-W934 HydrophobicContact CB-CE3 4.18Å; K928-W934 HydrophobicContact CB-CH2 4.3Å; K928-W934 HydrophobicContact CB-CZ3 4.01Å
935A89.3Confident90.4Very high6 Ų648.8 Ų48.85%0.0526%0.261CS..EExtended strand (participates in β ladder)trans-98.3140.2169.900000110.3R926 V927R926-A935 CarbonylContact C-O 3.58Å; R926-A935 VanDerWaalsContact CA-O 3.24Å; R926-A935 WeakPolarHBondContact CA-O 3.46Å; V927-A935 HydrophobicContact CG1-CB 4.11Å; V927-A935 PolarHBondContact N-O 2.82Å; V927-A935 PolarHBondContact O-N 2.99Å
936T90.2Very high88.7Confident130 Ų13048.3 Ų48.380%0.79826%0.256SS*.EExtended strand (participates in β ladder)trans-82.4131176.1-57.20000109.9
937V91.1Very high87Confident5 Ų548.4 Ų48.43%0.0326%0.264CS..  trans-137.1143.6178.7-66.30000110.8A867 V886 M921 G925 V927A867-V937 HydrophobicContact CB-CB 4.21Å; V886-V937 HydrophobicContact CG1-CB 4.27Å; V886-V937 HydrophobicContact CG1-CG2 4.32Å; M921-V937 HydrophobicContact CB-CG2 4.16Å; M921-V937 HydrophobicContact CG-CG2 3.82Å; M921-V937 HydrophobicContact SD-CG2 4.3Å; G925-V937 CarbonylContact C-O 3.52Å; G925-V937 WeakPolarHBondContact CA-O 3.47Å; G925-V937 PolarHBondContact O-N 3.46Å; V927-V937 HydrophobicContact CB-CG2 4.32Å; V927-V937 HydrophobicContact CG1-CG1 3.8Å; V927-V937 HydrophobicContact CG1-CG2 4.28Å
938T91.3Very high85.1Confident68 Ų6850.3 Ų50.342%0.41728%0.283SS..  trans-100.1105.4173-51.50000109E884 Q940E884-T938 HydrophobicContact CB-CG2 4.41Å; E884-T938 WeakPolarHBondContact CB-O 3.49Å; E884-T938 WeakPolarHBondContact OE2-CB 3.24Å; T938-Q940 HydrophobicContact CG2-CG 3.98Å; T938-Q940 PolarHBondContact O-N 3.27Å
939A91.6Very high83.4Confident20 Ų2053.8 Ų53.817%0.16530%0.302CS..  trans-89.999.1178.500000111.1I730 V886 M921 V922I730-A939 HydrophobicContact CD1-CB 4.31Å; I730-A939 VanDerWaalsContact CD1-O 3.24Å; I730-A939 WeakPolarHBondContact CD1-O 3.42Å; V886-A939 HydrophobicContact CG1-CB 3.98Å; V886-A939 HydrophobicContact CG2-CB 3.67Å; M921-A939 HydrophobicContact CB-CB 4.23Å; V922-A939 HydrophobicContact CG2-CB 4.2Å
940Q93.7Very high82.4Confident58 Ų5859.7 Ų59.727%0.27133%0.328SS..SBendtrans-104.5-25.1172.3-57.3-177.6-6300112.4D731 R883 E884 T938D731-Q940 PolarHBondContact N-O 2.8Å; D731-Q940 VanDerWaalsContact N-O 3.16Å; R883-Q940 VanDerWaalsContact CA-OE1 3.31Å; E884-Q940 HydrophobicContact CB-CG 4.45Å; E884-Q940 WeakPolarHBondContact O-CB 3.5Å; E884-Q940 PolarHBondContact O-N 3.07Å; T938-Q940 HydrophobicContact CG2-CG 3.98Å; T938-Q940 PolarHBondContact O-N 3.27Å
941T95.5Very high81.5Confident0 Ų056 Ų560%031%0.311CS..EExtended strand (participates in β ladder)trans-140.3142.9172.6-172.10000110.4D731 N733 V864 R883 E884 E885 V886D731-T941 CarbonylContact O-C 3.54Å; D731-T941 WeakPolarHBondContact O-CA 3.39Å; D731-T941 PolarHBondContact O-OG1 3.22Å; D731-T941 PolarHBondContact OD2-OG1 2.74Å; N733-T941 PolarHBondContact ND2-OG1 3.24Å; V864-T941 HydrophobicContact CG1-CG2 3.79Å; R883-T941 HydrophobicContact CB-CG2 4.46Å; E884-T941 PolarHBondContact O-N 2.79Å; E885-T941 WeakPolarHBondContact CA-O 3.24Å; E885-T941 HydrophobicContact CB-CG2 3.52Å; E885-T941 HydrophobicContact CG-CG2 3.82Å; V886-T941 PolarHBondContact N-O 2.84Å
942V94.2Very high81.1Confident0 Ų052.5 Ų52.50%029%0.288CS..EExtended strand (participates in β ladder)trans-114.4120.1177.8179.20000108.1I730 D731 L732 N733 V886 A888 T918 V922I730-V942 HydrophobicContact CD1-CG2 4.06Å; I730-V942 HydrophobicContact CG1-CG2 3.72Å; D731-V942 PolarHBondContact O-N 3.3Å; L732-V942 HydrophobicContact CD1-CB 4.22Å; L732-V942 HydrophobicContact CD1-CG1 4.32Å; N733-V942 PolarHBondContact N-O 2.98Å; V886-V942 HydrophobicContact CG2-CG2 3.85Å; V886-V942 WeakPolarHBondContact O-CA 3.48Å; A888-V942 HydrophobicContact CB-CG1 4.26Å; T918-V942 HydrophobicContact CG2-CG1 4.08Å; T918-V942 HydrophobicContact CG2-CG2 4.15Å; V922-V942 HydrophobicContact CG2-CG2 4.13Å
943C90.5Very high80.8Confident0 Ų053.3 Ų53.30%029%0.291CS..EExtended strand (participates in β ladder)trans-87.3135.2177179.50000111.7K831 E885 V886 F887K831-C943 PolarHBondContact NZ-SG 2.89Å; E885-C943 HydrophobicContact CG-CB 4.18Å; E885-C943 WeakPolarHBondContact OE2-CB 3.32Å; V886-C943 PolarHBondContact O-N 3.05Å; F887-C943 HydrophobicContact CD1-CB 3.78Å; F887-C943 HydrophobicContact CE1-CB 3.65Å; F887-C943 HydrophobicContact CZ-CB 4.33Å
944L79.9Confident80.6Confident6 Ų649.4 Ų49.43%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-104.9124.6167.1-64.9170.2000109.7L732 N733 V750 F954 A955 L958L732-L944 HydrophobicContact CD1-CD1 3.79Å; L732-L944 HydrophobicContact CD1-CD2 4.49Å; L732-L944 HydrophobicContact CD1-CG 3.95Å; L732-L944 HydrophobicContact CD2-CD1 4.17Å; L732-L944 HydrophobicContact CG-CD1 3.96Å; N733-L944 PolarHBondContact O-N 2.85Å; V750-L944 HydrophobicContact CG1-CD1 4.32Å; L944-F954 HydrophobicContact CD2-CD1 3.63Å; L944-F954 HydrophobicContact CD2-CE1 3.87Å; L944-A955 HydrophobicContact CD1-CB 3.68Å; L944-L958 HydrophobicContact CD2-CD1 3.69Å
945H71.2Confident80.3Confident30 Ų3043.3 Ų43.314%0.13925%0.25CC..  trans-80.7130.7170.1-57.4119.2000110.1F887 D889 D947 A951F887-H945 AromaticContact CD1-CE1 3.38Å; F887-H945 WeakPolarHBondContact CD1-CE1 3.4Å; F887-H945 AromaticContact CD1-NE2 3.54Å; F887-H945 AromaticContact CE1-CE1 3.8Å; F887-H945 AromaticContact CE1-NE2 3.44Å; F887-H945 WeakPolarHBondContact CE1-NE2 3.39Å; D889-H945 IonicContact OD1-CE1 3.65Å; D889-H945 PolarHBondContact OD1-CE1 2.93Å; D889-H945 IonicContact OD1-ND1 3.09Å; D889-H945 PolarHBondContact OD1-ND1 3.35Å; D889-H945 VanDerWaalsContact OD1-ND1 3.14Å; D889-H945 IonicContact OD2-CE1 3.97Å; D889-H945 IonicContact OD2-CG 3.89Å; D889-H945 IonicContact OD2-ND1 2.73Å; D889-H945 PolarHBondContact OD2-ND1 2.74Å; H945-D947 WeakPolarHBondContact CB-OD1 3.46Å; H945-A951 WeakPolarHBondContact O-CB 3.31Å
946G55.2Low80.4Confident14 Ų1449.2 Ų49.214%0.14427%0.271CS..  trans-89.34.6-169.700000115.9C740 G948C740-G946 PolarHBondContact SG-O 3.19Å; C740-G946 VanDerWaalsContact SG-O 3.42Å; G946-G948 VanDerWaalsContact C-N 3.33Å; G946-G948 PolarHBondContact O-N 3.36Å
947D57.9Low80.4Confident94 Ų9447.3 Ų47.350%0.50325%0.249SC..SBendtrans-84.513.8-163.235.4-16.7000115.7R795 H945R795-D947 IonicContact NH2-OD2 3.73Å; H945-D947 WeakPolarHBondContact CB-OD1 3.46Å
948G54.7Low80.3Confident41 Ų4147.1 Ų47.142%0.42325%0.247SC..SBendtrans-148.8156176.200000115.5G946 H950 A951G946-G948 VanDerWaalsContact C-N 3.33Å; G946-G948 PolarHBondContact O-N 3.36Å; G948-H950 PolarHBondContact O-N 3.14Å; G948-A951 WeakPolarHBondContact O-CB 3.35Å; G948-A951 PolarHBondContact O-N 3.13Å
949E58.1Low80.3Confident191 Ų19149 Ų4989%0.89325%0.247SC*.THydrogen-bonded Turntrans-52.3-23.8174-82-168.8146.900112.9
950H70.6Confident80.2Confident133 Ų13350.9 Ų50.962%0.61626%0.259SS*.Hα-helixtrans-75-21.3177.7-65.4-66.3000114.7E911 G948 L952 A953 F954E911-H950 IonicContact OE1-ND1 3.86Å; G948-H950 PolarHBondContact O-N 3.14Å; H950-L952 VanDerWaalsContact C-N 3.33Å; H950-L952 PolarHBondContact O-N 3.01Å; H950-A953 PolarHBondContact O-N 3.21Å; H950-F954 WeakPolarHBondContact O-CB 3.33Å; H950-F954 PolarHBondContact O-N 3.31Å
951A72.9Confident80Confident12 Ų1248.9 Ų48.910%0.09925%0.251CS..Hα-helixtrans-61.2-40.3-173.100000112.7H945 G948 A955H945-A951 WeakPolarHBondContact O-CB 3.31Å; G948-A951 WeakPolarHBondContact O-CB 3.35Å; G948-A951 PolarHBondContact O-N 3.13Å; A951-A955 WeakPolarHBondContact O-CB 3.33Å; A951-A955 PolarHBondContact O-N 3.5Å
952L81Confident79.7Confident30 Ų3048.9 Ų48.916%0.15725%0.251CS..Hα-helixtrans-68.7-43.1178.7-17080.4000112E745 L746 L749 H950 F954 A955 R956E745-L952 HydrophobicContact CB-CD1 3.61Å; E745-L952 HydrophobicContact CB-CD2 4.47Å; E745-L952 WeakPolarHBondContact OE2-CD2 2.88Å; L746-L952 HydrophobicContact CG-CD1 4.46Å; L749-L952 HydrophobicContact CD1-CD1 3.83Å; L749-L952 HydrophobicContact CD1-CG 4.41Å; H950-L952 VanDerWaalsContact C-N 3.33Å; H950-L952 PolarHBondContact O-N 3.01Å; L952-F954 VanDerWaalsContact C-N 3.33Å; L952-A955 PolarHBondContact O-N 3.39Å; L952-R956 WeakPolarHBondContact O-CG 3.49Å; L952-R956 PolarHBondContact O-N 3.14Å; L952-R956 VanDerWaalsContact O-N 3.1Å
953A83.7Confident79.3Confident50 Ų5052.4 Ų52.441%0.41328%0.28SS..Hα-helixtrans-62-44.6177.300000110.7H950 R956 R957H950-A953 PolarHBondContact O-N 3.21Å; A953-R956 PolarHBondContact O-N 2.85Å; A953-R957 PolarHBondContact O-N 3.33Å
954F86.6Confident79Confident21 Ų2159.1 Ų59.19%0.09231%0.311CS..Hα-helixtrans-65.1-41.9178.1-170.8-117.4000112.5A888 E911 A914 L915 L944 H950 L952 R956 R957 L958A888-F954 HydrophobicContact CB-CE1 3.68Å; A888-F954 HydrophobicContact CB-CZ 3.96Å; E911-F954 HydrophobicContact CB-CD2 4.41Å; E911-F954 HydrophobicContact CG-CD2 4.41Å; A914-F954 HydrophobicContact CB-CE2 3.97Å; A914-F954 HydrophobicContact CB-CZ 3.71Å; L915-F954 HydrophobicContact CB-CE2 4.4Å; L944-F954 HydrophobicContact CD2-CD1 3.63Å; L944-F954 HydrophobicContact CD2-CE1 3.87Å; H950-F954 WeakPolarHBondContact O-CB 3.33Å; H950-F954 PolarHBondContact O-N 3.31Å; L952-F954 VanDerWaalsContact C-N 3.33Å; F954-R956 PolarHBondContact O-N 3.19Å; F954-R957 PolarHBondContact O-N 3.04Å; F954-R957 VanDerWaalsContact O-N 3.17Å; F954-L958 HydrophobicContact CD1-CD1 3.82Å; F954-L958 HydrophobicContact CE1-CD1 3.36Å; F954-L958 HydrophobicContact CE1-CG 4.2Å; F954-L958 HydrophobicContact CE2-CD1 4.5Å; F954-L958 HydrophobicContact CZ-CD1 3.74Å; F954-L958 HydrophobicContact CZ-CG 4.13Å; F954-L958 PolarHBondContact O-N 2.86Å
955A87.5Confident79.1Confident0 Ų064.4 Ų64.40%033%0.334CS..Hα-helixtrans-59.3-43174.800000112.6L749 L944 A951 L952 R957 R959L749-A955 HydrophobicContact CB-CB 4.3Å; L749-A955 HydrophobicContact CD1-CB 3.75Å; L944-A955 HydrophobicContact CD1-CB 3.68Å; A951-A955 WeakPolarHBondContact O-CB 3.33Å; A951-A955 PolarHBondContact O-N 3.5Å; L952-A955 PolarHBondContact O-N 3.39Å; A955-R957 VanDerWaalsContact C-N 3.34Å; A955-R959 WeakPolarHBondContact O-CB 3.42Å; A955-R959 PolarHBondContact O-N 2.89Å
956R90.1Very high79.4Confident130 Ų13065 Ų6549%0.49135%0.349SS..Hα-helixtrans-61.8-44174.9-70.6178.1-172.4-86.9-0.4111.1L749 L952 A953 F954 R959 S960L749-R956 HydrophobicContact CD1-CG 3.61Å; L749-R956 HydrophobicContact CD2-CG 4.06Å; L952-R956 WeakPolarHBondContact O-CG 3.49Å; L952-R956 PolarHBondContact O-N 3.14Å; L952-R956 VanDerWaalsContact O-N 3.1Å; A953-R956 PolarHBondContact O-N 2.85Å; F954-R956 PolarHBondContact O-N 3.19Å; R956-R959 PolarHBondContact O-N 2.87Å; R956-S960 PolarHBondContact O-N 2.93Å
957R90.2Very high80.7Confident91 Ų9164.7 Ų64.734%0.34334%0.344SS..Hα-helixtrans-65.5-43.9-179.6-167.1164-177.2177.5-2.1112.1E911 E912 L915 A953 F954 A955 R959 S960 T961E911-R957 IonicContact OE2-NH1 3.02Å; E911-R957 PolarHBondContact OE2-NH1 2.95Å; E912-R957 IonicContact OE1-NH2 3.29Å; E912-R957 PolarHBondContact OE1-NH2 3.04Å; L915-R957 HydrophobicContact CD2-CG 4.33Å; A953-R957 PolarHBondContact O-N 3.33Å; F954-R957 PolarHBondContact O-N 3.04Å; F954-R957 VanDerWaalsContact O-N 3.17Å; A955-R957 VanDerWaalsContact C-N 3.34Å; R957-R959 PolarHBondContact O-N 2.92Å; R957-S960 PolarHBondContact O-N 3.4Å; R957-T961 WeakPolarHBondContact O-CB 3.37Å; R957-T961 PolarHBondContact O-N 3.23Å; R957-T961 PolarHBondContact O-OG1 3.15Å
958L90.2Very high82.1Confident0 Ų063.1 Ų63.10%034%0.337CS..Hα-helixtrans-59-47174.1-93165.8000111.7L732 L915 T918 L944 F954 S960 T961 F962L732-L958 HydrophobicContact CD1-CD1 4.44Å; L915-L958 HydrophobicContact CD1-CD2 3.67Å; L915-L958 HydrophobicContact CD1-CG 4.07Å; T918-L958 HydrophobicContact CG2-CD2 3.72Å; L944-L958 HydrophobicContact CD2-CD1 3.69Å; F954-L958 HydrophobicContact CD1-CD1 3.82Å; F954-L958 HydrophobicContact CE1-CD1 3.36Å; F954-L958 HydrophobicContact CE1-CG 4.2Å; F954-L958 HydrophobicContact CE2-CD1 4.5Å; F954-L958 HydrophobicContact CZ-CD1 3.74Å; F954-L958 HydrophobicContact CZ-CG 4.13Å; F954-L958 PolarHBondContact O-N 2.86Å; L958-S960 PolarHBondContact O-N 3.3Å; L958-T961 PolarHBondContact O-N 3.04Å; L958-F962 HydrophobicContact CD2-CE1 3.94Å; L958-F962 HydrophobicContact CD2-CE2 4.1Å; L958-F962 HydrophobicContact CD2-CZ 3.65Å; L958-F962 WeakPolarHBondContact O-CB 3.37Å; L958-F962 VanDerWaalsContact O-CG 3.28Å; L958-F962 WeakPolarHBondContact O-CG 3.48Å; L958-F962 PolarHBondContact O-N 3.08Å
959R90.4Very high83.8Confident108 Ų10863 Ų6341%0.40833%0.328SS..Hα-helixtrans-64.8-40.5-179.5-168.9172174.9156.8-11.9112.6T748 L749 A955 R956 R957 A963T748-R959 PolarHBondContact O-NH1 2.57Å; L749-R959 VanDerWaalsContact C-NH1 3.3Å; L749-R959 VanDerWaalsContact CA-NH1 3.27Å; L749-R959 PolarHBondContact O-NH1 3.1Å; A955-R959 WeakPolarHBondContact O-CB 3.42Å; A955-R959 PolarHBondContact O-N 2.89Å; R956-R959 PolarHBondContact O-N 2.87Å; R957-R959 PolarHBondContact O-N 2.92Å; R959-A963 WeakPolarHBondContact O-CB 3.27Å; R959-A963 PolarHBondContact O-N 3.24Å; R959-A963 VanDerWaalsContact O-N 3.09Å
960S90.1Very high85.3Confident60 Ų6055.7 Ų55.742%0.4230%0.3SS..Hα-helixtrans-61.3-50.2173.2-164.80000110.9R956 R957 L958 F962 A963 E964R956-S960 PolarHBondContact O-N 2.93Å; R957-S960 PolarHBondContact O-N 3.4Å; L958-S960 PolarHBondContact O-N 3.3Å; S960-F962 PolarHBondContact O-N 3.03Å; S960-A963 WeakPolarHBondContact O-CB 3.01Å; S960-A963 PolarHBondContact O-N 3.22Å; S960-A963 VanDerWaalsContact O-N 3.17Å; S960-E964 WeakPolarHBondContact O-CG 3.45Å; S960-E964 PolarHBondContact O-N 3.44Å; S960-E964 PolarHBondContact OG-OE1 3.28Å
961T89.8Confident85.9Confident16 Ų1653.2 Ų53.210%0.09830%0.303CS..Hα-helixtrans-63.4-41.8-177.6-51.60000111.5L915 L919 R957 L958 E964 K965L915-T961 HydrophobicContact CD1-CG2 4.13Å; L915-T961 HydrophobicContact CD2-CG2 4.28Å; L915-T961 HydrophobicContact CG-CG2 4.44Å; L919-T961 HydrophobicContact CD1-CG2 3.95Å; L919-T961 HydrophobicContact CD2-CG2 4.24Å; R957-T961 WeakPolarHBondContact O-CB 3.37Å; R957-T961 PolarHBondContact O-N 3.23Å; R957-T961 PolarHBondContact O-OG1 3.15Å; L958-T961 PolarHBondContact O-N 3.04Å; T961-E964 PolarHBondContact O-N 2.85Å; T961-K965 HydrophobicContact CG2-CG 4.38Å; T961-K965 WeakPolarHBondContact O-CB 3.38Å; T961-K965 WeakPolarHBondContact O-CG 3.43Å; T961-K965 PolarHBondContact O-N 3.05Å
962F89.7Confident86.5Confident0 Ų055.3 Ų55.30%031%0.314CS..Hα-helixtrans-61.8-44174.8-74.8-13.8000111.9I730 T918 L919 V922 L958 S960 E964 K965 G966 I967 V969I730-F962 HydrophobicContact CG2-CD2 3.8Å; I730-F962 HydrophobicContact CG2-CE2 3.56Å; I730-F962 HydrophobicContact CG2-CZ 4.18Å; T918-F962 HydrophobicContact CG2-CE1 4.23Å; T918-F962 HydrophobicContact CG2-CZ 3.84Å; L919-F962 HydrophobicContact CD2-CD1 4.24Å; L919-F962 HydrophobicContact CD2-CE1 4.17Å; V922-F962 HydrophobicContact CG2-CE1 4.5Å; V922-F962 HydrophobicContact CG2-CZ 4.32Å; L958-F962 HydrophobicContact CD2-CE1 3.94Å; L958-F962 HydrophobicContact CD2-CE2 4.1Å; L958-F962 HydrophobicContact CD2-CZ 3.65Å; L958-F962 WeakPolarHBondContact O-CB 3.37Å; L958-F962 VanDerWaalsContact O-CG 3.28Å; L958-F962 WeakPolarHBondContact O-CG 3.48Å; L958-F962 PolarHBondContact O-N 3.08Å; S960-F962 PolarHBondContact O-N 3.03Å; F962-E964 VanDerWaalsContact C-N 3.35Å; F962-E964 PolarHBondContact O-N 3.49Å; F962-K965 CarbonylContact O-C 3.58Å; F962-K965 PolarHBondContact O-N 3.24Å; F962-G966 PolarHBondContact O-N 2.97Å; F962-I967 CarbonylContact C-O 3.59Å; F962-I967 HydrophobicContact CB-CB 3.88Å; F962-I967 HydrophobicContact CB-CG2 4.21Å; F962-I967 HydrophobicContact CD1-CB 4.23Å; F962-I967 HydrophobicContact CD1-CD1 3.7Å; F962-I967 HydrophobicContact CD1-CG2 4.25Å; F962-I967 HydrophobicContact CD2-CG2 4.43Å; F962-I967 HydrophobicContact CE1-CD1 4.15Å; F962-I967 HydrophobicContact CG-CB 4.14Å; F962-I967 HydrophobicContact CG-CD1 4.46Å; F962-I967 HydrophobicContact CG-CG2 4.06Å; F962-I967 PolarHBondContact O-N 3.33Å; F962-V969 HydrophobicContact CB-CG2 4.39Å; F962-V969 HydrophobicContact CD2-CG2 3.74Å
963A84.8Confident86.8Confident74 Ų7456.6 Ų56.661%0.61232%0.322SS*.Hα-helixtrans-61-43.9175.700000111.9R959 S960 K965 G966R959-A963 WeakPolarHBondContact O-CB 3.27Å; R959-A963 PolarHBondContact O-N 3.24Å; R959-A963 VanDerWaalsContact O-N 3.09Å; S960-A963 WeakPolarHBondContact O-CB 3.01Å; S960-A963 PolarHBondContact O-N 3.22Å; S960-A963 VanDerWaalsContact O-N 3.17Å; A963-K965 VanDerWaalsContact C-N 3.28Å; A963-K965 PolarHBondContact O-N 3.24Å; A963-G966 PolarHBondContact O-N 2.91Å; A963-G966 VanDerWaalsContact O-N 3.16Å
964E84.6Confident87Confident141 Ų14157 Ų5766%0.65932%0.317SS*.Hα-helixtrans-61.6-34.7175.4-70.9162.6-147.100112.6S960 T961 F962 G966S960-E964 WeakPolarHBondContact O-CG 3.45Å; S960-E964 PolarHBondContact O-N 3.44Å; S960-E964 PolarHBondContact OG-OE1 3.28Å; T961-E964 PolarHBondContact O-N 2.85Å; F962-E964 VanDerWaalsContact C-N 3.35Å; F962-E964 PolarHBondContact O-N 3.49Å; E964-G966 VanDerWaalsContact C-N 3.34Å
965K82.1Confident87Confident116 Ų11659.1 Ų59.150%0.50433%0.33SS..THydrogen-bonded Turntrans-87.73.6177.9-62.8-67-179.1-179.40113.8L919 T961 F962 A963 I967L919-K965 HydrophobicContact CD2-CG 4.17Å; T961-K965 HydrophobicContact CG2-CG 4.38Å; T961-K965 WeakPolarHBondContact O-CB 3.38Å; T961-K965 WeakPolarHBondContact O-CG 3.43Å; T961-K965 PolarHBondContact O-N 3.05Å; F962-K965 CarbonylContact O-C 3.58Å; F962-K965 PolarHBondContact O-N 3.24Å; A963-K965 VanDerWaalsContact C-N 3.28Å; A963-K965 PolarHBondContact O-N 3.24Å; K965-I967 VanDerWaalsContact C-N 3.27Å; K965-I967 HydrophobicContact CB-CD1 3.96Å; K965-I967 HydrophobicContact CB-CG1 4.18Å; K965-I967 PolarHBondContact O-N 3.44Å
966G77.2Confident87Confident44 Ų4462.8 Ų62.845%0.45435%0.351SS..THydrogen-bonded Turntrans69.421.8-178.600000114.4F962 A963 E964F962-G966 PolarHBondContact O-N 2.97Å; A963-G966 PolarHBondContact O-N 2.91Å; A963-G966 VanDerWaalsContact O-N 3.16Å; E964-G966 VanDerWaalsContact C-N 3.34Å
967I83.3Confident86.8Confident6 Ų658.3 Ų58.33%0.03134%0.341CS..  trans-90.7122175.5-58.2166.1000108.2M728 I730 L919 V922 Q923 F962 K965M728-I967 HydrophobicContact CB-CG1 4.35Å; M728-I967 HydrophobicContact CE-CD1 4.24Å; M728-I967 HydrophobicContact CE-CG1 4.12Å; M728-I967 CarbonylContact O-C 3.59Å; M728-I967 WeakPolarHBondContact O-CA 3.46Å; I730-I967 HydrophobicContact CB-CG2 4.16Å; I730-I967 HydrophobicContact CG2-CG2 3.62Å; L919-I967 HydrophobicContact CD2-CD1 4.24Å; V922-I967 HydrophobicContact CG1-CD1 3.87Å; V922-I967 HydrophobicContact CG1-CG2 4.24Å; Q923-I967 HydrophobicContact CG-CD1 4.22Å; F962-I967 CarbonylContact C-O 3.59Å; F962-I967 HydrophobicContact CB-CB 3.88Å; F962-I967 HydrophobicContact CB-CG2 4.21Å; F962-I967 HydrophobicContact CD1-CB 4.23Å; F962-I967 HydrophobicContact CD1-CD1 3.7Å; F962-I967 HydrophobicContact CD1-CG2 4.25Å; F962-I967 HydrophobicContact CD2-CG2 4.43Å; F962-I967 HydrophobicContact CE1-CD1 4.15Å; F962-I967 HydrophobicContact CG-CB 4.14Å; F962-I967 HydrophobicContact CG-CD1 4.46Å; F962-I967 HydrophobicContact CG-CG2 4.06Å; F962-I967 PolarHBondContact O-N 3.33Å; K965-I967 VanDerWaalsContact C-N 3.27Å; K965-I967 HydrophobicContact CB-CD1 3.96Å; K965-I967 HydrophobicContact CB-CG1 4.18Å; K965-I967 PolarHBondContact O-N 3.44Å
968V86.5Confident86.5Confident61 Ų6156 Ų5637%0.3734%0.341SS..EExtended strand (participates in β ladder)trans-91.1121.8-178.2177.40000109.6T727 M728 K729 I730 A970T727-V968 HydrophobicContact CG2-CG2 3.98Å; M728-V968 PolarHBondContact O-N 3.47Å; K729-V968 VanDerWaalsContact CA-O 3.28Å; K729-V968 WeakPolarHBondContact CA-O 3.48Å; K729-V968 HydrophobicContact CG-CB 4.23Å; I730-V968 PolarHBondContact N-O 2.84Å; V968-A970 HydrophobicContact CG1-CB 4.48Å; V968-A970 PolarHBondContact O-N 2.88Å
969V89.9Confident86.2Confident38 Ų3860.3 Ų60.323%0.2337%0.367CS..EExtended strand (participates in β ladder)trans-80.6115173.5-179.90000109.8I730 L732 F962I730-V969 HydrophobicContact CG2-CG2 4.31Å; I730-V969 CarbonylContact O-C 3.55Å; I730-V969 VanDerWaalsContact O-CA 3.3Å; I730-V969 WeakPolarHBondContact O-CA 3.37Å; L732-V969 HydrophobicContact CB-CG1 3.66Å; F962-V969 HydrophobicContact CB-CG2 4.39Å; F962-V969 HydrophobicContact CD2-CG2 3.74Å
970A89.5Confident85.9Confident38 Ų3856.3 Ų56.331%0.31436%0.364SS..  trans-163.1142.9178.900000111.8I730 D731 V968I730-A970 CarbonylContact C-O 3.52Å; I730-A970 PolarHBondContact O-N 2.79Å; D731-A970 WeakPolarHBondContact CA-O 3.44Å; V968-A970 HydrophobicContact CG1-CB 4.48Å; V968-A970 PolarHBondContact O-N 2.88Å
971A83.3Confident85.5Confident82 Ų8256 Ų5668%0.67836%0.359SS*.  trans-78.70176.900000113.7A780A780-A971 HydrophobicContact CB-CB 3.66Å

Retrieved 971 of 971 residues in 2809.8 ms (Link to these results)

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