A0A077ZN62_TRITR Loading...

DUF1758 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZN62, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 499 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
1M87.7Confident91.8Very high54 Ų5485.8 Ų85.827%0.26639%0.387SS..  0119.10-155.6178.672.300110.4F15 E18 L19 I22 V44 K47M1-F15 HydrophobicContact CE-CD2 4.3Å; M1-F15 HydrophobicContact CE-CE1 3.83Å; M1-F15 HydrophobicContact CE-CE2 3.42Å; M1-F15 VanDerWaalsContact CE-CE2 3.42Å; M1-F15 HydrophobicContact CE-CZ 3.15Å; M1-F15 HydrophobicContact CG-CE2 4.39Å; M1-F15 HydrophobicContact SD-CD2 4.48Å; M1-F15 HydrophobicContact SD-CE1 4.28Å; M1-F15 HydrophobicContact SD-CE2 4.14Å; M1-F15 HydrophobicContact SD-CZ 4.06Å; M1-E18 VanDerWaalsContact CA-OE2 3.24Å; M1-E18 WeakPolarHBondContact CA-OE2 3.39Å; M1-E18 HydrophobicContact CG-CB 4.04Å; M1-E18 VanDerWaalsContact CG-OE2 3.26Å; M1-E18 WeakPolarHBondContact CG-OE2 3.44Å; M1-L19 HydrophobicContact SD-CB 3.92Å; M1-L19 HydrophobicContact SD-CD1 4.29Å; M1-I22 HydrophobicContact CB-CD1 4.09Å; M1-I22 HydrophobicContact SD-CD1 4.49Å; M1-V44 HydrophobicContact CE-CB 4.4Å; M1-V44 HydrophobicContact CE-CG1 3.73Å; M1-V44 HydrophobicContact CE-CG2 4.37Å; M1-K47 HydrophobicContact CE-CB 4.27Å; M1-K47 HydrophobicContact CE-CD 3.81Å; M1-K47 WeakPolarHBondContact O-CE 3.42Å; M1-K47 PolarHBondContact O-NZ 3.47Å
2E92.3Very high92.1Very high94 Ų9478.8 Ų78.844%0.43936%0.356SS..  trans-75.6152.5176.3-68.9-167.4152.400112R14 F15E2-R14 IonicContact OE2-CZ 2.6Å; E2-R14 IonicContact OE2-NH1 2.86Å; E2-R14 PolarHBondContact OE2-NH1 2.87Å; E2-F15 WeakPolarHBondContact O-CD2 3.37Å; E2-F15 WeakPolarHBondContact O-CE2 3.26Å
3P94.8Very high92.1Very high69 Ų6976.3 Ų76.345%0.44835%0.347SS..  trans-62.4144.5172-21.533.2000113.4R5 R14 K47P3-R5 PolarHBondContact O-N 3.11Å; P3-R14 PolarHBondContact O-NH2 3.25Å; P3-K47 HydrophobicContact CB-CB 4.47Å; P3-K47 HydrophobicContact CG-CG 4.42Å
4L94.5Very high92.4Very high9 Ų976.1 Ų76.15%0.04734%0.342CS..  trans-76.2115171.5-173.675.2000109.7R6 E11 L12 F15 K47 T49 L52L4-R6 WeakPolarHBondContact CD1-O 3.31Å; L4-R6 WeakPolarHBondContact CG-O 3.49Å; L4-E11 HydrophobicContact CD1-CB 4.16Å; L4-E11 HydrophobicContact CD1-CG 3.91Å; L4-E11 WeakPolarHBondContact CD1-O 3.17Å; L4-L12 HydrophobicContact CD1-CD2 4.3Å; L4-L12 HydrophobicContact CD2-CD2 3.71Å; L4-F15 HydrophobicContact CB-CD2 3.79Å; L4-F15 HydrophobicContact CB-CE2 4Å; L4-F15 HydrophobicContact CB-CG 4.26Å; L4-F15 HydrophobicContact CD1-CB 3.82Å; L4-F15 HydrophobicContact CD1-CD2 4.4Å; L4-F15 HydrophobicContact CD1-CG 4.22Å; L4-K47 WeakPolarHBondContact CB-O 3.4Å; L4-K47 PolarHBondContact N-O 3.05Å; L4-T49 HydrophobicContact CD2-CG2 4.11Å; L4-T49 HydrophobicContact CG-CG2 4.22Å; L4-T49 WeakPolarHBondContact O-CG2 3.27Å; L4-L52 HydrophobicContact CD2-CD1 3.43Å; L4-L52 VanDerWaalsContact CD2-CD1 3.43Å
5R90.6Very high92.7Very high183 Ų18371.1 Ų71.169%0.69132%0.32SS*.  trans-94.4-33.8-176.1-51.7-177-174.1-1754112.4P3 E11P3-R5 PolarHBondContact O-N 3.11Å; R5-E11 WeakPolarHBondContact CA-OE1 3.35Å; R5-E11 VanDerWaalsContact CB-OE1 3.22Å; R5-E11 WeakPolarHBondContact CB-OE1 3.36Å; R5-E11 PolarHBondContact N-OE1 3.41Å
6R90.3Very high92.8Very high170 Ų17067.2 Ų67.264%0.64230%0.303SS*.  trans-134.6155.5178.3-48.6175.2175.7179.6-0.8110.7L4 E11L4-R6 WeakPolarHBondContact CD1-O 3.31Å; L4-R6 WeakPolarHBondContact CG-O 3.49Å; R6-E11 VanDerWaalsContact CA-OE2 3.3Å; R6-E11 WeakPolarHBondContact CA-OE2 3.24Å; R6-E11 WeakPolarHBondContact CB-OE2 3.21Å; R6-E11 VanDerWaalsContact CG-OE2 3.27Å; R6-E11 WeakPolarHBondContact CG-OE2 3.28Å; R6-E11 VanDerWaalsContact N-CD 3.29Å; R6-E11 PolarHBondContact N-OE1 3.4Å; R6-E11 PolarHBondContact N-OE2 3.26Å
7E91.4Very high92.9Very high39 Ų3967.7 Ų67.718%0.18232%0.316CS..  trans-106.134.8-179.9-55.5-179.6-146.200111.5L12 T49 R51 L52E7-L12 HydrophobicContact CB-CD1 4.45Å; E7-T49 HydrophobicContact CG-CG2 3.78Å; E7-T49 WeakPolarHBondContact OE1-CB 3.4Å; E7-T49 PolarHBondContact OE1-OG1 2.86Å; E7-R51 WeakPolarHBondContact OE1-CB 3.39Å; E7-R51 IonicContact OE1-NE 2.72Å; E7-R51 PolarHBondContact OE1-NE 3.17Å; E7-R51 IonicContact OE2-CZ 3.67Å; E7-R51 IonicContact OE2-NE 4Å; E7-R51 PolarHBondContact OE2-NE 3.49Å; E7-R51 IonicContact OE2-NH2 3.01Å; E7-R51 PolarHBondContact OE2-NH2 2.93Å; E7-L52 HydrophobicContact CG-CD1 4.04Å; E7-L52 HydrophobicContact CG-CG 4.34Å
8D91.6Very high93.1Very high66 Ų6668 Ų6835%0.35332%0.317SS..SBendtrans-81.1162.3167.768.545.7000110.5K10 E11 L12D8-K10 VanDerWaalsContact C-N 3.29Å; D8-K10 PolarHBondContact O-N 3.49Å; D8-K10 PolarHBondContact OD1-N 3.36Å; D8-E11 PolarHBondContact O-N 3.28Å; D8-E11 WeakPolarHBondContact OD1-CB 3.3Å; D8-E11 PolarHBondContact OD1-N 3.16Å; D8-L12 WeakPolarHBondContact O-CB 3.41Å; D8-L12 VanDerWaalsContact O-CG 3.27Å; D8-L12 WeakPolarHBondContact O-CG 3.35Å; D8-L12 PolarHBondContact O-N 3.11Å
9L90.7Very high93.2Very high58 Ų5864.5 Ų64.530%0.30430%0.301SS..Hα-helixtrans-59.9-40.7-173.2175.358.7000111.9D13 V80 K83 R84 A87L9-D13 WeakPolarHBondContact O-CB 3.35Å; L9-D13 PolarHBondContact O-N 2.83Å; L9-V80 HydrophobicContact CD1-CG1 4.21Å; L9-K83 HydrophobicContact CD1-CB 4.26Å; L9-R84 HydrophobicContact CD1-CB 4.38Å; L9-R84 HydrophobicContact CD1-CG 3.34Å; L9-R84 HydrophobicContact CD2-CG 3.91Å; L9-R84 HydrophobicContact CG-CG 4.24Å; L9-A87 HydrophobicContact CD2-CB 4.35Å
10K92.1Very high93.3Very high178 Ų17865.7 Ų65.777%0.77431%0.306SS*.Hα-helixtrans-65-44.4-176.7-176.7179.5179.2179.50111.4D8 R14D8-K10 VanDerWaalsContact C-N 3.29Å; D8-K10 PolarHBondContact O-N 3.49Å; D8-K10 PolarHBondContact OD1-N 3.36Å; K10-R14 PolarHBondContact O-N 3.35Å; K10-R14 VanDerWaalsContact O-N 3.08Å
11E93.8Very high93.4Very high24 Ų2464.2 Ų64.211%0.11231%0.309CS..Hα-helixtrans-76.4-35.6-176.7-150.5-176.8156.800112.6L4 R5 R6 D8 R14 F15L4-E11 HydrophobicContact CD1-CB 4.16Å; L4-E11 HydrophobicContact CD1-CG 3.91Å; L4-E11 WeakPolarHBondContact CD1-O 3.17Å; R5-E11 WeakPolarHBondContact CA-OE1 3.35Å; R5-E11 VanDerWaalsContact CB-OE1 3.22Å; R5-E11 WeakPolarHBondContact CB-OE1 3.36Å; R5-E11 PolarHBondContact N-OE1 3.41Å; R6-E11 VanDerWaalsContact CA-OE2 3.3Å; R6-E11 WeakPolarHBondContact CA-OE2 3.24Å; R6-E11 WeakPolarHBondContact CB-OE2 3.21Å; R6-E11 VanDerWaalsContact CG-OE2 3.27Å; R6-E11 WeakPolarHBondContact CG-OE2 3.28Å; R6-E11 VanDerWaalsContact N-CD 3.29Å; R6-E11 PolarHBondContact N-OE1 3.4Å; R6-E11 PolarHBondContact N-OE2 3.26Å; D8-E11 PolarHBondContact O-N 3.28Å; D8-E11 WeakPolarHBondContact OD1-CB 3.3Å; D8-E11 PolarHBondContact OD1-N 3.16Å; E11-R14 IonicContact OE1-NH2 3.63Å; E11-R14 PolarHBondContact OE1-NH2 3.06Å; E11-F15 WeakPolarHBondContact O-CB 3.46Å; E11-F15 PolarHBondContact O-N 3.16Å
12L94.9Very high93.6Very high2 Ų265.1 Ų65.11%0.0131%0.314CS..Hα-helixtrans-62.1-45.8171.5-73.7169.9000111.5L4 E7 D8 F15 S16 L52 V79 V80 K83L4-L12 HydrophobicContact CD1-CD2 4.3Å; L4-L12 HydrophobicContact CD2-CD2 3.71Å; E7-L12 HydrophobicContact CB-CD1 4.45Å; D8-L12 WeakPolarHBondContact O-CB 3.41Å; D8-L12 VanDerWaalsContact O-CG 3.27Å; D8-L12 WeakPolarHBondContact O-CG 3.35Å; D8-L12 PolarHBondContact O-N 3.11Å; L12-F15 PolarHBondContact O-N 3Å; L12-S16 WeakPolarHBondContact O-CB 3.22Å; L12-S16 PolarHBondContact O-N 3.14Å; L12-L52 HydrophobicContact CD2-CD1 3.72Å; L12-V79 HydrophobicContact CD1-CG1 4.46Å; L12-V80 HydrophobicContact CB-CG2 4.04Å; L12-K83 HydrophobicContact CD1-CB 4.48Å; L12-K83 HydrophobicContact CD1-CD 4.45Å; L12-K83 HydrophobicContact CD1-CG 3.81Å
13D93.2Very high93.7Very high46 Ų4660.7 Ų60.725%0.24629%0.293CS..Hα-helixtrans-62.3-46.4179.5-160.348.6000111.2L9 F15 S16 C17 R84L9-D13 WeakPolarHBondContact O-CB 3.35Å; L9-D13 PolarHBondContact O-N 2.83Å; D13-F15 PolarHBondContact O-N 3.33Å; D13-S16 PolarHBondContact O-N 3.38Å; D13-C17 WeakPolarHBondContact O-CB 3.41Å; D13-C17 PolarHBondContact O-N 2.92Å; D13-C17 PolarHBondContact O-SG 3.15Å; D13-R84 IonicContact OD1-CZ 3.73Å; D13-R84 IonicContact OD1-NE 2.7Å; D13-R84 IonicContact OD1-NH2 3.45Å; D13-R84 PolarHBondContact OD1-NH2 2.9Å; D13-R84 IonicContact OD2-NH2 2.7Å; D13-R84 PolarHBondContact OD2-NH2 3.34Å
14R95.6Very high93.6Very high74 Ų7459.5 Ų59.528%0.27929%0.286SS..Hα-helixtrans-53.8-52.2173.2178.2-158.763.8157.11.1111.6E2 P3 K10 E11 C17 E18E2-R14 IonicContact OE2-CZ 2.6Å; E2-R14 IonicContact OE2-NH1 2.86Å; E2-R14 PolarHBondContact OE2-NH1 2.87Å; P3-R14 PolarHBondContact O-NH2 3.25Å; K10-R14 PolarHBondContact O-N 3.35Å; K10-R14 VanDerWaalsContact O-N 3.08Å; E11-R14 IonicContact OE1-NH2 3.63Å; E11-R14 PolarHBondContact OE1-NH2 3.06Å; R14-C17 PolarHBondContact O-N 3.49Å; R14-E18 PolarHBondContact O-N 3.26Å
15F96.7Very high93.5Very high1 Ų162.8 Ų62.80%0.00431%0.31CS..Hα-helixtrans-64.7-43.1-176-172.4-84.8000111.6M1 E2 L4 E11 L12 D13 E18 L19 K47 L48 L76M1-F15 HydrophobicContact CE-CD2 4.3Å; M1-F15 HydrophobicContact CE-CE1 3.83Å; M1-F15 HydrophobicContact CE-CE2 3.42Å; M1-F15 VanDerWaalsContact CE-CE2 3.42Å; M1-F15 HydrophobicContact CE-CZ 3.15Å; M1-F15 HydrophobicContact CG-CE2 4.39Å; M1-F15 HydrophobicContact SD-CD2 4.48Å; M1-F15 HydrophobicContact SD-CE1 4.28Å; M1-F15 HydrophobicContact SD-CE2 4.14Å; M1-F15 HydrophobicContact SD-CZ 4.06Å; E2-F15 WeakPolarHBondContact O-CD2 3.37Å; E2-F15 WeakPolarHBondContact O-CE2 3.26Å; L4-F15 HydrophobicContact CB-CD2 3.79Å; L4-F15 HydrophobicContact CB-CE2 4Å; L4-F15 HydrophobicContact CB-CG 4.26Å; L4-F15 HydrophobicContact CD1-CB 3.82Å; L4-F15 HydrophobicContact CD1-CD2 4.4Å; L4-F15 HydrophobicContact CD1-CG 4.22Å; E11-F15 WeakPolarHBondContact O-CB 3.46Å; E11-F15 PolarHBondContact O-N 3.16Å; L12-F15 PolarHBondContact O-N 3Å; D13-F15 PolarHBondContact O-N 3.33Å; F15-E18 PolarHBondContact O-N 3.15Å; F15-L19 PolarHBondContact O-N 2.85Å; F15-K47 HydrophobicContact CE2-CB 3.92Å; F15-K47 HydrophobicContact CZ-CB 3.99Å; F15-L48 HydrophobicContact CD1-CD2 4.29Å; F15-L48 HydrophobicContact CE1-CD2 3.54Å; F15-L48 HydrophobicContact CZ-CD2 3.84Å; F15-L76 HydrophobicContact CD1-CD1 4.05Å; F15-L76 HydrophobicContact CE1-CD1 3.88Å
16S95Very high93.6Very high8 Ų855.5 Ų55.56%0.05629%0.285CS..Hα-helixtrans-62.1-45176.6-162.50000111.3L12 D13 L19 H20L12-S16 WeakPolarHBondContact O-CB 3.22Å; L12-S16 PolarHBondContact O-N 3.14Å; D13-S16 PolarHBondContact O-N 3.38Å; S16-L19 PolarHBondContact O-N 3.3Å; S16-H20 VanDerWaalsContact O-CB 3.28Å; S16-H20 WeakPolarHBondContact O-CB 3.35Å; S16-H20 PolarHBondContact O-N 2.71Å
17C94.3Very high93.7Very high76 Ų7650.5 Ų50.551%0.51427%0.273SS..Hα-helixtrans-66.2-39.3178.2-70.40000112.9D13 R14 G21D13-C17 WeakPolarHBondContact O-CB 3.41Å; D13-C17 PolarHBondContact O-N 2.92Å; D13-C17 PolarHBondContact O-SG 3.15Å; R14-C17 PolarHBondContact O-N 3.49Å; C17-G21 PolarHBondContact O-N 3.17Å
18E95.8Very high93.6Very high73 Ų7357.6 Ų57.634%0.34130%0.304SS..Hα-helixtrans-61.5-46.5174.1-85.1-173.2-162.400111.4M1 R14 F15 G21 I22M1-E18 VanDerWaalsContact CA-OE2 3.24Å; M1-E18 WeakPolarHBondContact CA-OE2 3.39Å; M1-E18 HydrophobicContact CG-CB 4.04Å; M1-E18 VanDerWaalsContact CG-OE2 3.26Å; M1-E18 WeakPolarHBondContact CG-OE2 3.44Å; R14-E18 PolarHBondContact O-N 3.26Å; F15-E18 PolarHBondContact O-N 3.15Å; E18-G21 PolarHBondContact O-N 3.14Å; E18-I22 VanDerWaalsContact O-CG1 3.3Å; E18-I22 WeakPolarHBondContact O-CG1 3.41Å; E18-I22 PolarHBondContact O-N 3.26Å
19L95.7Very high93.7Very high2 Ų257.5 Ų57.51%0.0131%0.308CS..Hα-helixtrans-62.9-48.6178.2-179.461.3000111.4M1 F15 S16 G21 I22 I23 V44 L72 D73 L76M1-L19 HydrophobicContact SD-CB 3.92Å; M1-L19 HydrophobicContact SD-CD1 4.29Å; F15-L19 PolarHBondContact O-N 2.85Å; S16-L19 PolarHBondContact O-N 3.3Å; L19-G21 VanDerWaalsContact C-N 3.25Å; L19-G21 PolarHBondContact O-N 3.22Å; L19-I22 PolarHBondContact O-N 3.4Å; L19-I22 VanDerWaalsContact O-N 3.13Å; L19-I23 HydrophobicContact CD1-CD1 3.92Å; L19-I23 HydrophobicContact CD1-CG1 4.27Å; L19-I23 HydrophobicContact CD2-CD1 4.42Å; L19-I23 HydrophobicContact CG-CD1 3.79Å; L19-I23 WeakPolarHBondContact O-CG1 3.22Å; L19-I23 PolarHBondContact O-N 3.25Å; L19-V44 HydrophobicContact CD1-CG1 3.79Å; L19-V44 HydrophobicContact CD1-CG2 4.25Å; L19-V44 HydrophobicContact CD2-CG1 4.05Å; L19-L72 HydrophobicContact CD2-CD2 4.3Å; L19-L72 HydrophobicContact CD2-CG 4.21Å; L19-D73 HydrophobicContact CD2-CB 4.26Å; L19-L76 HydrophobicContact CD2-CD1 3.58Å
20H95.2Very high93.7Very high87 Ų8757.2 Ų57.240%0.40332%0.319SS..Hα-helixtrans-59.5-38.3178.6-169.172000111.9S16 S24 D73S16-H20 VanDerWaalsContact O-CB 3.28Å; S16-H20 WeakPolarHBondContact O-CB 3.35Å; S16-H20 PolarHBondContact O-N 2.71Å; H20-S24 VanDerWaalsContact O-CB 3.24Å; H20-S24 WeakPolarHBondContact O-CB 3.12Å; H20-S24 PolarHBondContact O-N 3.15Å; H20-S24 PolarHBondContact O-OG 2.93Å; H20-D73 WeakPolarHBondContact CA-OD1 3.34Å; H20-D73 WeakPolarHBondContact CB-OD1 3.19Å; H20-D73 IonicContact CE1-OD2 3.21Å; H20-D73 IonicContact CG-OD1 3.64Å; H20-D73 IonicContact CG-OD2 3.05Å; H20-D73 IonicContact ND1-OD1 3.66Å; H20-D73 IonicContact ND1-OD2 2.91Å; H20-D73 PolarHBondContact ND1-OD2 3.23Å
21G94.3Very high93.7Very high35 Ų3553.6 Ų53.636%0.36131%0.305SS..Hα-helixtrans-62.7-46.8173.900000112.5C17 E18 L19 S24 S25C17-G21 PolarHBondContact O-N 3.17Å; E18-G21 PolarHBondContact O-N 3.14Å; L19-G21 VanDerWaalsContact C-N 3.25Å; L19-G21 PolarHBondContact O-N 3.22Å; G21-S24 PolarHBondContact O-N 2.91Å; G21-S25 PolarHBondContact O-N 3.3Å; G21-S25 PolarHBondContact O-OG 3.17Å
22I93.8Very high93.4Very high73 Ų7357.5 Ų57.537%0.37432%0.323SS..Hα-helixtrans-60.6-47.7176.4-67.7163.3000110.7M1 E18 L19 S25 L26M1-I22 HydrophobicContact CB-CD1 4.09Å; M1-I22 HydrophobicContact SD-CD1 4.49Å; E18-I22 VanDerWaalsContact O-CG1 3.3Å; E18-I22 WeakPolarHBondContact O-CG1 3.41Å; E18-I22 PolarHBondContact O-N 3.26Å; L19-I22 PolarHBondContact O-N 3.4Å; L19-I22 VanDerWaalsContact O-N 3.13Å; I22-S25 WeakPolarHBondContact O-CB 3.33Å; I22-S25 PolarHBondContact O-N 2.73Å; I22-L26 HydrophobicContact CG2-CD1 4.11Å; I22-L26 HydrophobicContact CG2-CG 4.46Å; I22-L26 WeakPolarHBondContact O-CG 3.39Å; I22-L26 PolarHBondContact O-N 2.72Å
23I93.9Very high93.1Very high2 Ų260.8 Ų60.81%0.0135%0.351CS..Hα-helixtrans-62.2-45.9179.2-72.3170000110.9L19 S25 L26 V27 M35 L69 Q70 D73L19-I23 HydrophobicContact CD1-CD1 3.92Å; L19-I23 HydrophobicContact CD1-CG1 4.27Å; L19-I23 HydrophobicContact CD2-CD1 4.42Å; L19-I23 HydrophobicContact CG-CD1 3.79Å; L19-I23 WeakPolarHBondContact O-CG1 3.22Å; L19-I23 PolarHBondContact O-N 3.25Å; I23-S25 VanDerWaalsContact C-N 3.26Å; I23-S25 PolarHBondContact O-N 2.84Å; I23-L26 PolarHBondContact O-N 2.89Å; I23-L26 VanDerWaalsContact O-N 3.15Å; I23-V27 HydrophobicContact CG2-CG2 4.28Å; I23-V27 VanDerWaalsContact O-CG2 3.32Å; I23-V27 WeakPolarHBondContact O-CG2 3.11Å; I23-V27 PolarHBondContact O-N 3.04Å; I23-M35 HydrophobicContact CB-CE 4.3Å; I23-M35 HydrophobicContact CB-SD 4.28Å; I23-M35 HydrophobicContact CD1-CE 4.31Å; I23-M35 HydrophobicContact CG1-CE 3.95Å; I23-M35 HydrophobicContact CG1-SD 4.05Å; I23-M35 HydrophobicContact CG2-CE 3.59Å; I23-M35 HydrophobicContact CG2-SD 3.93Å; I23-L69 HydrophobicContact CD1-CB 4.07Å; I23-L69 WeakPolarHBondContact CD1-O 3.33Å; I23-L69 HydrophobicContact CG1-CB 4.27Å; I23-Q70 VanDerWaalsContact CG2-OE1 3.3Å; I23-D73 HydrophobicContact CD1-CB 3.41Å; I23-D73 VanDerWaalsContact CD1-CB 3.41Å
24S92.1Very high93.1Very high43 Ų4362.7 Ų62.730%0.30136%0.358SS..Hα-helixtrans-58-39.7176.2-67.90000112.1H20 G21 K28H20-S24 VanDerWaalsContact O-CB 3.24Å; H20-S24 WeakPolarHBondContact O-CB 3.12Å; H20-S24 PolarHBondContact O-N 3.15Å; H20-S24 PolarHBondContact O-OG 2.93Å; G21-S24 PolarHBondContact O-N 2.91Å; S24-K28 WeakPolarHBondContact O-CB 3.34Å; S24-K28 VanDerWaalsContact O-CG 3.3Å; S24-K28 WeakPolarHBondContact O-CG 3.26Å; S24-K28 PolarHBondContact O-N 3.24Å
25S93Very high92.9Very high79 Ų7959.5 Ų59.555%0.55235%0.346SS*.Hα-helixtrans-65.5-46.5174.2-71.60000112.2G21 I22 I23 V27 K28 S29G21-S25 PolarHBondContact O-N 3.3Å; G21-S25 PolarHBondContact O-OG 3.17Å; I22-S25 WeakPolarHBondContact O-CB 3.33Å; I22-S25 PolarHBondContact O-N 2.73Å; I23-S25 VanDerWaalsContact C-N 3.26Å; I23-S25 PolarHBondContact O-N 2.84Å; S25-V27 VanDerWaalsContact C-N 3.35Å; S25-V27 PolarHBondContact O-N 2.97Å; S25-K28 PolarHBondContact O-N 3.15Å; S25-S29 WeakPolarHBondContact O-CB 3.36Å; S25-S29 PolarHBondContact O-N 3.29Å; S25-S29 PolarHBondContact O-OG 2.95Å; S25-S29 VanDerWaalsContact O-OG 3.07Å
26L93Very high92.6Very high30 Ų3063 Ų6316%0.15737%0.368CS..Hα-helixtrans-61.6-41.3178.2-70.6173.2000112.3I22 I23 S29 G30 H31 E34 M35I22-L26 HydrophobicContact CG2-CD1 4.11Å; I22-L26 HydrophobicContact CG2-CG 4.46Å; I22-L26 WeakPolarHBondContact O-CG 3.39Å; I22-L26 PolarHBondContact O-N 2.72Å; I23-L26 PolarHBondContact O-N 2.89Å; I23-L26 VanDerWaalsContact O-N 3.15Å; L26-S29 PolarHBondContact O-N 2.66Å; L26-S29 PolarHBondContact O-OG 3.25Å; L26-G30 PolarHBondContact O-N 3.49Å; L26-H31 HydrophobicContact CB-CB 4.45Å; L26-H31 HydrophobicContact CD2-CB 3.84Å; L26-H31 PolarHBondContact O-N 3.47Å; L26-E34 HydrophobicContact CD1-CB 4.16Å; L26-E34 HydrophobicContact CD2-CB 4.04Å; L26-E34 HydrophobicContact CD2-CG 4.26Å; L26-M35 HydrophobicContact CB-CG 4.4Å; L26-M35 HydrophobicContact CB-SD 4.03Å; L26-M35 HydrophobicContact CD1-SD 3.9Å
27V90.6Very high92.5Very high65 Ų6564.5 Ų64.539%0.39438%0.378SS..Hα-helixtrans-64.7-46.4176.7171.60000110.4I23 S25 S29 G30I23-V27 HydrophobicContact CG2-CG2 4.28Å; I23-V27 VanDerWaalsContact O-CG2 3.32Å; I23-V27 WeakPolarHBondContact O-CG2 3.11Å; I23-V27 PolarHBondContact O-N 3.04Å; S25-V27 VanDerWaalsContact C-N 3.35Å; S25-V27 PolarHBondContact O-N 2.97Å; V27-S29 VanDerWaalsContact C-N 3.33Å; V27-S29 PolarHBondContact O-N 3.29Å; V27-G30 PolarHBondContact O-N 3.49Å
28K90.8Very high92.4Very high188 Ų18864.5 Ų64.582%0.81738%0.384SS*.Hα-helixtrans-66-32.2179.1-77.6-180179.8-179.20113.4S24 S25 G30S24-K28 WeakPolarHBondContact O-CB 3.34Å; S24-K28 VanDerWaalsContact O-CG 3.3Å; S24-K28 WeakPolarHBondContact O-CG 3.26Å; S24-K28 PolarHBondContact O-N 3.24Å; S25-K28 PolarHBondContact O-N 3.15Å; K28-G30 VanDerWaalsContact C-N 3.32Å
29S92.7Very high92.3Very high63 Ų6363 Ų6344%0.44139%0.387SS..THydrogen-bonded Turntrans-87.91.9178.768.20000113.7S25 L26 V27 H31S25-S29 WeakPolarHBondContact O-CB 3.36Å; S25-S29 PolarHBondContact O-N 3.29Å; S25-S29 PolarHBondContact O-OG 2.95Å; S25-S29 VanDerWaalsContact O-OG 3.07Å; L26-S29 PolarHBondContact O-N 2.66Å; L26-S29 PolarHBondContact O-OG 3.25Å; V27-S29 VanDerWaalsContact C-N 3.33Å; V27-S29 PolarHBondContact O-N 3.29Å; S29-H31 VanDerWaalsContact C-N 3.35Å; S29-H31 PolarHBondContact O-N 3.37Å; S29-H31 PolarHBondContact OG-CD2 3.09Å; S29-H31 PolarHBondContact OG-NE2 2.84Å
30G90.6Very high92.2Very high53 Ų5364.9 Ų64.955%0.54640%0.398SS..THydrogen-bonded Turntrans75.417.3177.600000114.8L26 V27 K28 Q32L26-G30 PolarHBondContact O-N 3.49Å; V27-G30 PolarHBondContact O-N 3.49Å; K28-G30 VanDerWaalsContact C-N 3.32Å; G30-Q32 PolarHBondContact O-N 2.86Å
31H91.7Very high92.2Very high101 Ų10161.7 Ų61.747%0.46838%0.383SS..  trans-83.856.5179.7-65.3-41.1000112.5L26 S29 A33 E34L26-H31 HydrophobicContact CB-CB 4.45Å; L26-H31 HydrophobicContact CD2-CB 3.84Å; L26-H31 PolarHBondContact O-N 3.47Å; S29-H31 VanDerWaalsContact C-N 3.35Å; S29-H31 PolarHBondContact O-N 3.37Å; S29-H31 PolarHBondContact OG-CD2 3.09Å; S29-H31 PolarHBondContact OG-NE2 2.84Å; H31-A33 PolarHBondContact O-N 2.56Å; H31-E34 HydrophobicContact CB-CB 4.3Å; H31-E34 HydrophobicContact CB-CG 3.93Å; H31-E34 WeakPolarHBondContact O-CB 3.46Å; H31-E34 PolarHBondContact O-N 3.39Å; H31-E34 VanDerWaalsContact O-N 3.13Å
32Q87.9Confident92.3Very high106 Ų10665.7 Ų65.750%0.49539%0.393SS..Hα-helixtrans-61.8-29.7-178.4-65.7-61.6-28.800113.3G30 E34 M35 V36G30-Q32 PolarHBondContact O-N 2.86Å; Q32-E34 VanDerWaalsContact C-N 3.31Å; Q32-E34 PolarHBondContact O-N 3.43Å; Q32-M35 WeakPolarHBondContact O-CB 3.49Å; Q32-M35 PolarHBondContact O-N 3.32Å; Q32-V36 PolarHBondContact O-N 2.64Å
33A90.2Very high92.3Very high72 Ų7266.6 Ų66.660%0.59540%0.398SS*.Hα-helixtrans-62.6-37.5176.100000112.5H31 M35 V36 S37H31-A33 PolarHBondContact O-N 2.56Å; A33-M35 VanDerWaalsContact C-N 3.26Å; A33-M35 PolarHBondContact O-N 3.06Å; A33-V36 PolarHBondContact O-N 2.95Å; A33-S37 PolarHBondContact O-N 2.62Å; A33-S37 VanDerWaalsContact O-N 3.13Å
34E92.5Very high92.4Very high85 Ų8567.5 Ų67.540%0.39740%0.403SS..Hα-helixtrans-67.6-30178.1-59.9-61.9152.500111.6L26 H31 Q32 N40L26-E34 HydrophobicContact CD1-CB 4.16Å; L26-E34 HydrophobicContact CD2-CB 4.04Å; L26-E34 HydrophobicContact CD2-CG 4.26Å; H31-E34 HydrophobicContact CB-CB 4.3Å; H31-E34 HydrophobicContact CB-CG 3.93Å; H31-E34 WeakPolarHBondContact O-CB 3.46Å; H31-E34 PolarHBondContact O-N 3.39Å; H31-E34 VanDerWaalsContact O-N 3.13Å; Q32-E34 VanDerWaalsContact C-N 3.31Å; Q32-E34 PolarHBondContact O-N 3.43Å; E34-N40 PolarHBondContact O-ND2 3.4Å; E34-N40 PolarHBondContact OE2-ND2 3.46Å
35M90.4Very high92.7Very high7 Ų766.3 Ų66.33%0.03440%0.395CS..Hα-helixtrans-70-33.7179.4-72-57.5-52.800113.4I23 L26 Q32 A33 S68 L69 Q70I23-M35 HydrophobicContact CB-CE 4.3Å; I23-M35 HydrophobicContact CB-SD 4.28Å; I23-M35 HydrophobicContact CD1-CE 4.31Å; I23-M35 HydrophobicContact CG1-CE 3.95Å; I23-M35 HydrophobicContact CG1-SD 4.05Å; I23-M35 HydrophobicContact CG2-CE 3.59Å; I23-M35 HydrophobicContact CG2-SD 3.93Å; L26-M35 HydrophobicContact CB-CG 4.4Å; L26-M35 HydrophobicContact CB-SD 4.03Å; L26-M35 HydrophobicContact CD1-SD 3.9Å; Q32-M35 WeakPolarHBondContact O-CB 3.49Å; Q32-M35 PolarHBondContact O-N 3.32Å; A33-M35 VanDerWaalsContact C-N 3.26Å; A33-M35 PolarHBondContact O-N 3.06Å; M35-S68 WeakPolarHBondContact O-CA 3.45Å; M35-S68 WeakPolarHBondContact O-CB 3.48Å; M35-L69 HydrophobicContact CE-CB 3.65Å; M35-L69 PolarHBondContact O-N 3.5Å; M35-L69 HydrophobicContact SD-CB 4.29Å; M35-Q70 HydrophobicContact CE-CB 3.84Å; M35-Q70 VanDerWaalsContact CE-N 3.34Å
36V91.7Very high92.8Very high76 Ų7665.6 Ų65.646%0.46139%0.387SS..Hα-helixtrans-100.11.6180-60.80000113.1Q32 A33 A38Q32-V36 PolarHBondContact O-N 2.64Å; A33-V36 PolarHBondContact O-N 2.95Å; V36-A38 PolarHBondContact O-N 3.19Å
37S93Very high93Very high38 Ų3867.3 Ų67.327%0.26639%0.393SS..  trans-66.9117.2178173.60000111.4A33 G39 N40 L41A33-S37 PolarHBondContact O-N 2.62Å; A33-S37 VanDerWaalsContact O-N 3.13Å; S37-G39 PolarHBondContact O-N 3.19Å; S37-G39 PolarHBondContact OG-N 3.42Å; S37-N40 WeakPolarHBondContact CB-ND2 3.31Å; S37-N40 PolarHBondContact O-N 3.16Å; S37-N40 PolarHBondContact OG-N 3.35Å; S37-L41 PolarHBondContact O-N 3.33Å
38A91.9Very high93.3Very high77 Ų7764.5 Ų64.564%0.63638%0.376SS*.Hα-helixtrans-61.9-31.4175.300000112.5V36 H42V36-A38 PolarHBondContact O-N 3.19Å; A38-H42 WeakPolarHBondContact O-CB 3.35Å; A38-H42 PolarHBondContact O-N 3.5Å
39G93.3Very high93.6Very high40 Ų4056.2 Ų56.241%0.41234%0.341SS..Hα-helixtrans-65.8-48.717600000111.6S37 L41 H42 D43S37-G39 PolarHBondContact O-N 3.19Å; S37-G39 PolarHBondContact OG-N 3.42Å; G39-L41 VanDerWaalsContact C-N 3.33Å; G39-L41 PolarHBondContact O-N 3.03Å; G39-H42 WeakPolarHBondContact O-CB 3.46Å; G39-H42 PolarHBondContact O-N 2.88Å; G39-H42 VanDerWaalsContact O-N 3.13Å; G39-D43 PolarHBondContact O-N 3.44Å
40N94.3Very high93.7Very high43 Ų4357.6 Ų57.623%0.2335%0.348CS..Hα-helixtrans-63-41.8177.5-65.1-13.9000111.6E34 S37 H42 D43 V44 L69E34-N40 PolarHBondContact O-ND2 3.4Å; E34-N40 PolarHBondContact OE2-ND2 3.46Å; S37-N40 WeakPolarHBondContact CB-ND2 3.31Å; S37-N40 PolarHBondContact O-N 3.16Å; S37-N40 PolarHBondContact OG-N 3.35Å; N40-H42 VanDerWaalsContact C-N 3.32Å; N40-H42 PolarHBondContact O-N 2.76Å; N40-D43 PolarHBondContact O-N 2.86Å; N40-V44 WeakPolarHBondContact O-CG2 3.39Å; N40-V44 PolarHBondContact O-N 2.92Å; N40-L69 HydrophobicContact CB-CD1 4Å
41L95.3Very high93.9Very high20 Ų2060.4 Ų60.411%0.10534%0.342CS..Hα-helixtrans-58.7-46.2174.2179.363.8000110.9S37 G39 D43 V44 V45 W56 V67 L69 L72S37-L41 PolarHBondContact O-N 3.33Å; G39-L41 VanDerWaalsContact C-N 3.33Å; G39-L41 PolarHBondContact O-N 3.03Å; L41-D43 PolarHBondContact O-N 3.41Å; L41-V44 PolarHBondContact O-N 3.21Å; L41-V45 HydrophobicContact CD1-CG2 4.12Å; L41-V45 HydrophobicContact CG-CG2 4.34Å; L41-V45 WeakPolarHBondContact O-CB 3.37Å; L41-V45 WeakPolarHBondContact O-CG2 3.35Å; L41-V45 PolarHBondContact O-N 2.88Å; L41-W56 HydrophobicContact CD1-CZ2 4.13Å; L41-V67 HydrophobicContact CD2-CB 3.99Å; L41-V67 HydrophobicContact CD2-CG1 3.77Å; L41-V67 WeakPolarHBondContact CD2-O 3.23Å; L41-L69 HydrophobicContact CB-CD2 4.41Å; L41-L69 HydrophobicContact CD1-CD2 4.17Å; L41-L72 HydrophobicContact CD1-CB 3.94Å; L41-L72 HydrophobicContact CD1-CD2 3.77Å; L41-L72 HydrophobicContact CD1-CG 4.44Å
42H94.7Very high94.1Very high119 Ų11955.7 Ų55.755%0.55132%0.321SS*.Hα-helixtrans-59.5-45.6177.4-174.875.9000112A38 G39 N40 V44 V45 T46A38-H42 WeakPolarHBondContact O-CB 3.35Å; A38-H42 PolarHBondContact O-N 3.5Å; G39-H42 WeakPolarHBondContact O-CB 3.46Å; G39-H42 PolarHBondContact O-N 2.88Å; G39-H42 VanDerWaalsContact O-N 3.13Å; N40-H42 VanDerWaalsContact C-N 3.32Å; N40-H42 PolarHBondContact O-N 2.76Å; H42-V44 VanDerWaalsContact C-N 3.3Å; H42-V44 PolarHBondContact O-N 3.43Å; H42-V45 PolarHBondContact O-N 2.96Å; H42-T46 VanDerWaalsContact O-CG2 3.3Å; H42-T46 WeakPolarHBondContact O-CG2 3.41Å; H42-T46 PolarHBondContact O-N 2.99Å; H42-T46 PolarHBondContact O-OG1 3.14Å
43D95.5Very high94.5Very high92 Ų9255.1 Ų55.149%0.49231%0.314SS..Hα-helixtrans-64-33.8179.8-72.5-12.5000113G39 N40 L41 T46 K47G39-D43 PolarHBondContact O-N 3.44Å; N40-D43 PolarHBondContact O-N 2.86Å; L41-D43 PolarHBondContact O-N 3.41Å; D43-T46 PolarHBondContact O-OG1 3.3Å; D43-K47 WeakPolarHBondContact O-CG 3.46Å
44V96.1Very high94.7Very high20 Ų2057.7 Ų57.712%0.12131%0.314CS..Hα-helixtrans-74.5-42.1173.8177.50000110.6M1 L19 N40 L41 H42 T46 K47 L69 L72M1-V44 HydrophobicContact CE-CB 4.4Å; M1-V44 HydrophobicContact CE-CG1 3.73Å; M1-V44 HydrophobicContact CE-CG2 4.37Å; L19-V44 HydrophobicContact CD1-CG1 3.79Å; L19-V44 HydrophobicContact CD1-CG2 4.25Å; L19-V44 HydrophobicContact CD2-CG1 4.05Å; N40-V44 WeakPolarHBondContact O-CG2 3.39Å; N40-V44 PolarHBondContact O-N 2.92Å; L41-V44 PolarHBondContact O-N 3.21Å; H42-V44 VanDerWaalsContact C-N 3.3Å; H42-V44 PolarHBondContact O-N 3.43Å; V44-T46 VanDerWaalsContact C-N 3.34Å; V44-T46 PolarHBondContact O-N 3.21Å; V44-K47 WeakPolarHBondContact O-CB 3.49Å; V44-K47 PolarHBondContact O-N 2.94Å; V44-K47 VanDerWaalsContact O-N 3.17Å; V44-L69 HydrophobicContact CB-CD2 4.01Å; V44-L69 HydrophobicContact CG1-CD2 4.42Å; V44-L69 HydrophobicContact CG2-CD2 3.71Å; V44-L72 HydrophobicContact CB-CD2 4.06Å; V44-L72 HydrophobicContact CG1-CD2 3.43Å; V44-L72 VanDerWaalsContact CG1-CD2 3.43Å
45V96.5Very high94.9Very high19 Ų1958.1 Ų58.112%0.11531%0.314CS..Hα-helixtrans-64.3-37.5179.11710000111.7L41 H42 K47 L48 R53 W56 L72L41-V45 HydrophobicContact CD1-CG2 4.12Å; L41-V45 HydrophobicContact CG-CG2 4.34Å; L41-V45 WeakPolarHBondContact O-CB 3.37Å; L41-V45 WeakPolarHBondContact O-CG2 3.35Å; L41-V45 PolarHBondContact O-N 2.88Å; H42-V45 PolarHBondContact O-N 2.96Å; V45-K47 PolarHBondContact O-N 3.2Å; V45-K47 VanDerWaalsContact O-N 3.16Å; V45-L48 WeakPolarHBondContact O-CB 3.48Å; V45-L48 PolarHBondContact O-N 3.42Å; V45-R53 HydrophobicContact CG1-CG 4.05Å; V45-R53 WeakPolarHBondContact O-CD 3.28Å; V45-R53 VanDerWaalsContact O-CG 3.22Å; V45-R53 WeakPolarHBondContact O-CG 3.35Å; V45-W56 VanDerWaalsContact CG2-CD1 3.43Å; V45-W56 HydrophobicContact CG2-CG 4.43Å; V45-W56 VanDerWaalsContact CG2-NE1 3.34Å; V45-L72 HydrophobicContact CG2-CD2 4Å
46T96.2Very high95.1Very high63 Ų6358.2 Ų58.239%0.38731%0.314SS..Hα-helixtrans-62.6-22.6177.756.60000113.1H42 D43 V44 R53H42-T46 VanDerWaalsContact O-CG2 3.3Å; H42-T46 WeakPolarHBondContact O-CG2 3.41Å; H42-T46 PolarHBondContact O-N 2.99Å; H42-T46 PolarHBondContact O-OG1 3.14Å; D43-T46 PolarHBondContact O-OG1 3.3Å; V44-T46 VanDerWaalsContact C-N 3.34Å; V44-T46 PolarHBondContact O-N 3.21Å; T46-R53 PolarHBondContact O-NH1 2.84Å
47K97.1Very high95.3Very high67 Ų6757.8 Ų57.829%0.29131%0.312SS..THydrogen-bonded Turntrans-82.1-8.5176-67.7179.1-175.5-176.80114.2M1 P3 L4 F15 D43 V44 V45M1-K47 HydrophobicContact CE-CB 4.27Å; M1-K47 HydrophobicContact CE-CD 3.81Å; M1-K47 WeakPolarHBondContact O-CE 3.42Å; M1-K47 PolarHBondContact O-NZ 3.47Å; P3-K47 HydrophobicContact CB-CB 4.47Å; P3-K47 HydrophobicContact CG-CG 4.42Å; L4-K47 WeakPolarHBondContact CB-O 3.4Å; L4-K47 PolarHBondContact N-O 3.05Å; F15-K47 HydrophobicContact CE2-CB 3.92Å; F15-K47 HydrophobicContact CZ-CB 3.99Å; D43-K47 WeakPolarHBondContact O-CG 3.46Å; V44-K47 WeakPolarHBondContact O-CB 3.49Å; V44-K47 PolarHBondContact O-N 2.94Å; V44-K47 VanDerWaalsContact O-N 3.17Å; V45-K47 PolarHBondContact O-N 3.2Å; V45-K47 VanDerWaalsContact O-N 3.16Å
48L97Very high95.3Very high5 Ų561.7 Ų61.73%0.02633%0.326CS..SBendtrans-75.8156.4169.9-61.7175.7000111F15 V45 L52 R53 W56 L72 W75 L76F15-L48 HydrophobicContact CD1-CD2 4.29Å; F15-L48 HydrophobicContact CE1-CD2 3.54Å; F15-L48 HydrophobicContact CZ-CD2 3.84Å; V45-L48 WeakPolarHBondContact O-CB 3.48Å; V45-L48 PolarHBondContact O-N 3.42Å; L48-L52 HydrophobicContact CB-CB 4.11Å; L48-L52 HydrophobicContact CD1-CB 4.44Å; L48-R53 HydrophobicContact CB-CG 3.71Å; L48-W56 HydrophobicContact CD1-CB 4.4Å; L48-L72 HydrophobicContact CD1-CD1 4.28Å; L48-W75 HydrophobicContact CD1-CZ3 4.12Å; L48-L76 HydrophobicContact CD2-CD1 4.35Å; L48-L76 HydrophobicContact CD2-CD2 4.05Å
49T96.7Very high95.3Very high14 Ų1462.8 Ų62.89%0.08632%0.316CS..  trans-63.1155.7170.859.50000111.2L4 E7 R51 L52 R53L4-T49 HydrophobicContact CD2-CG2 4.11Å; L4-T49 HydrophobicContact CG-CG2 4.22Å; L4-T49 WeakPolarHBondContact O-CG2 3.27Å; E7-T49 HydrophobicContact CG-CG2 3.78Å; E7-T49 WeakPolarHBondContact OE1-CB 3.4Å; E7-T49 PolarHBondContact OE1-OG1 2.86Å; T49-R51 PolarHBondContact O-N 2.86Å; T49-R51 VanDerWaalsContact O-N 3.1Å; T49-L52 PolarHBondContact O-N 3.41Å; T49-L52 WeakPolarHBondContact OG1-CG 3.5Å; T49-L52 PolarHBondContact OG1-N 3.41Å; T49-R53 WeakPolarHBondContact O-CG 3.47Å; T49-R53 PolarHBondContact O-N 2.9Å
50P95.6Very high95.3Very high92 Ų9261.9 Ų61.960%0.59731%0.305SS*.Hα-helixtrans-49.9-40.6178.9-29.135.3000114R53 E54P50-R53 PolarHBondContact O-N 2.84Å; P50-E54 PolarHBondContact O-N 3.35Å
51R94.9Very high95.2Very high113 Ų11369.7 Ų69.743%0.42633%0.331SS..Hα-helixtrans-68.5-41.1179.5-169.9-178.882.5137.43.9113E7 T49 E54 K55E7-R51 WeakPolarHBondContact OE1-CB 3.39Å; E7-R51 IonicContact OE1-NE 2.72Å; E7-R51 PolarHBondContact OE1-NE 3.17Å; E7-R51 IonicContact OE2-CZ 3.67Å; E7-R51 IonicContact OE2-NE 4Å; E7-R51 PolarHBondContact OE2-NE 3.49Å; E7-R51 IonicContact OE2-NH2 3.01Å; E7-R51 PolarHBondContact OE2-NH2 2.93Å; T49-R51 PolarHBondContact O-N 2.86Å; T49-R51 VanDerWaalsContact O-N 3.1Å; R51-E54 PolarHBondContact O-N 3.21Å; R51-K55 WeakPolarHBondContact O-CG 3.48Å; R51-K55 PolarHBondContact O-N 2.94Å; R51-K55 VanDerWaalsContact O-N 3.13Å
52L96.1Very high95Very high2 Ų274.1 Ų74.11%0.0136%0.362CS..Hα-helixtrans-73.1-31.3177.7-70.4178.5000112L4 E7 L12 L48 T49 E54 K55 W56 W75 V79L4-L52 HydrophobicContact CD2-CD1 3.43Å; L4-L52 VanDerWaalsContact CD2-CD1 3.43Å; E7-L52 HydrophobicContact CG-CD1 4.04Å; E7-L52 HydrophobicContact CG-CG 4.34Å; L12-L52 HydrophobicContact CD2-CD1 3.72Å; L48-L52 HydrophobicContact CB-CB 4.11Å; L48-L52 HydrophobicContact CD1-CB 4.44Å; T49-L52 PolarHBondContact O-N 3.41Å; T49-L52 WeakPolarHBondContact OG1-CG 3.5Å; T49-L52 PolarHBondContact OG1-N 3.41Å; L52-E54 VanDerWaalsContact C-N 3.34Å; L52-K55 HydrophobicContact CD2-CD 4.45Å; L52-K55 PolarHBondContact O-N 2.84Å; L52-W56 VanDerWaalsContact O-CB 3.27Å; L52-W56 WeakPolarHBondContact O-CB 3.29Å; L52-W56 PolarHBondContact O-N 3.48Å; L52-W75 HydrophobicContact CB-CH2 4.15Å; L52-W75 HydrophobicContact CD2-CH2 4.05Å; L52-W75 WeakPolarHBondContact O-CH2 3.22Å; L52-V79 HydrophobicContact CD2-CG1 4.27Å
53R96.3Very high94.8Very high93 Ų9370.4 Ų70.435%0.35135%0.346SS..Hα-helixtrans-60.8-43.3170.9-68.8-171.9-57.7-160.14.9112V45 T46 L48 T49 P50 W56 T57V45-R53 HydrophobicContact CG1-CG 4.05Å; V45-R53 WeakPolarHBondContact O-CD 3.28Å; V45-R53 VanDerWaalsContact O-CG 3.22Å; V45-R53 WeakPolarHBondContact O-CG 3.35Å; T46-R53 PolarHBondContact O-NH1 2.84Å; L48-R53 HydrophobicContact CB-CG 3.71Å; T49-R53 WeakPolarHBondContact O-CG 3.47Å; T49-R53 PolarHBondContact O-N 2.9Å; P50-R53 PolarHBondContact O-N 2.84Å; R53-W56 PolarHBondContact O-N 2.93Å; R53-T57 WeakPolarHBondContact O-CB 3.4Å; R53-T57 PolarHBondContact O-N 3.03Å; R53-T57 PolarHBondContact O-OG1 3.32Å
54E94.4Very high94.4Very high127 Ų12770.5 Ų70.559%0.59335%0.352SS*.Hα-helixtrans-62.4-50.5176.8-173.2175-157.900111.1P50 R51 L52 W56 T57 E58P50-E54 PolarHBondContact O-N 3.35Å; R51-E54 PolarHBondContact O-N 3.21Å; L52-E54 VanDerWaalsContact C-N 3.34Å; E54-W56 VanDerWaalsContact C-N 3.35Å; E54-W56 PolarHBondContact O-N 3.43Å; E54-T57 WeakPolarHBondContact O-CB 3.49Å; E54-T57 PolarHBondContact O-N 3.12Å; E54-T57 VanDerWaalsContact O-N 3.08Å; E54-E58 PolarHBondContact O-N 3.31Å
55K95.5Very high93.8Very high94 Ų9475.5 Ų75.541%0.40939%0.386SS..Hα-helixtrans-60.8-40.4176.8-72.3-171.8170.6-163.90113.6R51 L52 T57 E58 K59 W75R51-K55 WeakPolarHBondContact O-CG 3.48Å; R51-K55 PolarHBondContact O-N 2.94Å; R51-K55 VanDerWaalsContact O-N 3.13Å; L52-K55 HydrophobicContact CD2-CD 4.45Å; L52-K55 PolarHBondContact O-N 2.84Å; K55-T57 VanDerWaalsContact C-N 3.32Å; K55-E58 PolarHBondContact O-N 2.72Å; K55-K59 PolarHBondContact O-N 3.02Å; K55-W75 HydrophobicContact CB-CH2 4.39Å; K55-W75 HydrophobicContact CB-CZ2 3.77Å
56W96Very high93.3Very high9 Ų978.6 Ų78.63%0.03441%0.407CS..Hα-helixtrans-63.1-42.4174.4172.5-115.2000110.8L41 V45 L48 L52 R53 E54 E58 K59 A60 L63 V67 L71 L72 W75L41-W56 HydrophobicContact CD1-CZ2 4.13Å; V45-W56 VanDerWaalsContact CG2-CD1 3.43Å; V45-W56 HydrophobicContact CG2-CG 4.43Å; V45-W56 VanDerWaalsContact CG2-NE1 3.34Å; L48-W56 HydrophobicContact CD1-CB 4.4Å; L52-W56 VanDerWaalsContact O-CB 3.27Å; L52-W56 WeakPolarHBondContact O-CB 3.29Å; L52-W56 PolarHBondContact O-N 3.48Å; R53-W56 PolarHBondContact O-N 2.93Å; E54-W56 VanDerWaalsContact C-N 3.35Å; E54-W56 PolarHBondContact O-N 3.43Å; W56-E58 VanDerWaalsContact C-N 3.31Å; W56-E58 PolarHBondContact O-N 2.6Å; W56-K59 HydrophobicContact CE3-CB 4.38Å; W56-K59 HydrophobicContact CE3-CG 4.49Å; W56-K59 HydrophobicContact CZ3-CG 4.38Å; W56-K59 PolarHBondContact O-N 3.25Å; W56-K59 VanDerWaalsContact O-N 3.17Å; W56-A60 HydrophobicContact CZ2-CB 4.34Å; W56-A60 VanDerWaalsContact O-CB 3.25Å; W56-A60 WeakPolarHBondContact O-CB 3.46Å; W56-A60 PolarHBondContact O-N 3.48Å; W56-L63 HydrophobicContact CH2-CD1 3.9Å; W56-L63 HydrophobicContact CZ3-CD1 4.06Å; W56-V67 HydrophobicContact CH2-CG1 3.88Å; W56-V67 HydrophobicContact CZ2-CG1 3.49Å; W56-V67 VanDerWaalsContact CZ2-CG1 3.49Å; W56-L71 HydrophobicContact CH2-CB 4.21Å; W56-L72 HydrophobicContact CD2-CD1 3.51Å; W56-L72 HydrophobicContact CE3-CD1 3.72Å; W56-L72 HydrophobicContact CG-CD1 3.97Å; W56-L72 HydrophobicContact CH2-CB 3.76Å; W56-L72 HydrophobicContact CH2-CD1 4.2Å; W56-L72 HydrophobicContact CZ2-CB 3.75Å; W56-L72 HydrophobicContact CZ2-CD1 4Å; W56-L72 HydrophobicContact CZ2-CG 4.42Å; W56-L72 HydrophobicContact CZ3-CB 4.28Å; W56-L72 HydrophobicContact CZ3-CD1 4.07Å; W56-W75 HydrophobicContact CB-CE3 4.35Å; W56-W75 HydrophobicContact CB-CH2 3.82Å; W56-W75 HydrophobicContact CB-CZ2 4.21Å; W56-W75 HydrophobicContact CB-CZ3 3.9Å; W56-W75 HydrophobicContact CD2-CE3 4.31Å; W56-W75 HydrophobicContact CE3-CB 3.98Å; W56-W75 AromaticContact CE3-CD2 3.56Å; W56-W75 HydrophobicContact CE3-CD2 3.56Å; W56-W75 AromaticContact CE3-CE3 3.62Å; W56-W75 HydrophobicContact CE3-CE3 3.62Å; W56-W75 AromaticContact CE3-CG 3.72Å; W56-W75 HydrophobicContact CE3-CG 3.72Å; W56-W75 HydrophobicContact CE3-CZ3 4.33Å; W56-W75 HydrophobicContact CZ3-CB 3.61Å; W56-W75 HydrophobicContact CZ3-CD2 4.16Å; W56-W75 HydrophobicContact CZ3-CE3 4.35Å; W56-W75 AromaticContact CZ3-CG 3.86Å; W56-W75 HydrophobicContact CZ3-CG 3.86Å
57T93.9Very high93.1Very high66 Ų6677.2 Ų77.241%0.40540%0.398SS..Hα-helixtrans-60.7-40.7177.4-56.30000111.6R53 E54 K55 R61R53-T57 WeakPolarHBondContact O-CB 3.4Å; R53-T57 PolarHBondContact O-N 3.03Å; R53-T57 PolarHBondContact O-OG1 3.32Å; E54-T57 WeakPolarHBondContact O-CB 3.49Å; E54-T57 PolarHBondContact O-N 3.12Å; E54-T57 VanDerWaalsContact O-N 3.08Å; K55-T57 VanDerWaalsContact C-N 3.32Å; T57-R61 WeakPolarHBondContact O-CG 3.27Å; T57-R61 PolarHBondContact O-N 2.95Å
58E93.3Very high93Very high120 Ų12074.9 Ų74.956%0.56139%0.391SS*.Hα-helixtrans-62.7-47.1173.1-68.7175.6167.300111.9E54 K55 W56 R61E54-E58 PolarHBondContact O-N 3.31Å; K55-E58 PolarHBondContact O-N 2.72Å; W56-E58 VanDerWaalsContact C-N 3.31Å; W56-E58 PolarHBondContact O-N 2.6Å; E58-R61 PolarHBondContact O-N 2.82Å
59K93.1Very high92.9Very high100 Ų10075 Ų7544%0.43539%0.391SS..Hα-helixtrans-62.9-45.6178.7-178.468176-178.60111.7K55 W56 R61 C62 L63 W75K55-K59 PolarHBondContact O-N 3.02Å; W56-K59 HydrophobicContact CE3-CB 4.38Å; W56-K59 HydrophobicContact CE3-CG 4.49Å; W56-K59 HydrophobicContact CZ3-CG 4.38Å; W56-K59 PolarHBondContact O-N 3.25Å; W56-K59 VanDerWaalsContact O-N 3.17Å; K59-R61 VanDerWaalsContact C-N 3.25Å; K59-R61 PolarHBondContact O-N 3.23Å; K59-C62 PolarHBondContact O-N 2.93Å; K59-L63 HydrophobicContact CG-CD1 4.18Å; K59-L63 HydrophobicContact CG-CG 4.45Å; K59-W75 HydrophobicContact CG-CG 4.23Å
60A93Very high92.7Very high22 Ų2277.4 Ų77.418%0.18240%0.402CS..Hα-helixtrans-61.3-31.6-176.300000112.8W56 C62 L63 V67W56-A60 HydrophobicContact CZ2-CB 4.34Å; W56-A60 VanDerWaalsContact O-CB 3.25Å; W56-A60 WeakPolarHBondContact O-CB 3.46Å; W56-A60 PolarHBondContact O-N 3.48Å; A60-C62 PolarHBondContact O-N 3.14Å; A60-L63 PolarHBondContact O-N 2.98Å; A60-V67 HydrophobicContact CB-CG2 4.5Å
61R91.3Very high92.7Very high207 Ų20775 Ų7578%0.78138%0.383SS*.THydrogen-bonded Turntrans-61.9-21174.3-73.4175.8-172-162.13.1113.8T57 E58 K59T57-R61 WeakPolarHBondContact O-CG 3.27Å; T57-R61 PolarHBondContact O-N 2.95Å; E58-R61 PolarHBondContact O-N 2.82Å; K59-R61 VanDerWaalsContact C-N 3.25Å; K59-R61 PolarHBondContact O-N 3.23Å
62C91.1Very high92.8Very high112 Ų11269.6 Ų69.676%0.75736%0.363SS*.THydrogen-bonded Turntrans-105.24.6-178.8-580000113.1K59 A60K59-C62 PolarHBondContact O-N 2.93Å; A60-C62 PolarHBondContact O-N 3.14Å
63L90.8Very high92.8Very high41 Ų4169.5 Ų69.522%0.21536%0.362CS..SBendtrans-98.9155.9-178.2-69.2177.5000111.9W56 K59 A60 L71W56-L63 HydrophobicContact CH2-CD1 3.9Å; W56-L63 HydrophobicContact CZ3-CD1 4.06Å; K59-L63 HydrophobicContact CG-CD1 4.18Å; K59-L63 HydrophobicContact CG-CG 4.45Å; A60-L63 PolarHBondContact O-N 2.98Å; L63-L71 HydrophobicContact CB-CD1 4.37Å; L63-L71 HydrophobicContact CD1-CB 4.06Å; L63-L71 HydrophobicContact CD1-CD1 4.29Å; L63-L71 HydrophobicContact CD2-CD2 4.45Å
64P87Confident92.7Very high94 Ų9468.7 Ų68.761%0.6137%0.365SS*.PPolyproline II helixtrans-56.8143.9171.1-2333.9000112P66P64-P66 CarbonylContact O-C 3.51Å
65C84.3Confident92.8Very high125 Ų12564 Ų6485%0.84534%0.342SS*.SBendtrans-96.1137.6174-170.30000109.7
66P86.7Confident92.9Very high85 Ų8559.5 Ų59.555%0.55232%0.323SS*.SBendcis-75142.50.531.6-34.6000112.7P64 S68P64-P66 CarbonylContact O-C 3.51Å; P66-S68 PolarHBondContact O-N 3.28Å
67V92Very high92.8Very high33 Ų3361.2 Ų61.220%0.234%0.335CS..PPolyproline II helixtrans-71.9127.1169.8-174.90000107.9L41 W56 A60 L71L41-V67 HydrophobicContact CD2-CB 3.99Å; L41-V67 HydrophobicContact CD2-CG1 3.77Å; L41-V67 WeakPolarHBondContact CD2-O 3.23Å; W56-V67 HydrophobicContact CH2-CG1 3.88Å; W56-V67 HydrophobicContact CZ2-CG1 3.49Å; W56-V67 VanDerWaalsContact CZ2-CG1 3.49Å; A60-V67 HydrophobicContact CB-CG2 4.5Å; V67-L71 HydrophobicContact CG1-CD1 4.44Å
68S93.2Very high92.8Very high19 Ų1963.7 Ų63.713%0.13334%0.342CS..  trans-110.8166.4-174.566.60000112.1M35 P66 Q70 L71 L72M35-S68 WeakPolarHBondContact O-CA 3.45Å; M35-S68 WeakPolarHBondContact O-CB 3.48Å; P66-S68 PolarHBondContact O-N 3.28Å; S68-Q70 PolarHBondContact O-N 3.15Å; S68-Q70 PolarHBondContact OG-N 2.94Å; S68-L71 PolarHBondContact O-N 3.26Å; S68-L71 PolarHBondContact OG-N 3.41Å; S68-L72 PolarHBondContact O-N 3.5Å
69L95.1Very high92.9Very high7 Ų759.2 Ų59.24%0.03732%0.323CS..Hα-helixtrans-59.1-31.7170.2-76.6175.1000112.3I23 M35 N40 L41 V44 L72 D73I23-L69 HydrophobicContact CD1-CB 4.07Å; I23-L69 WeakPolarHBondContact CD1-O 3.33Å; I23-L69 HydrophobicContact CG1-CB 4.27Å; M35-L69 HydrophobicContact CE-CB 3.65Å; M35-L69 PolarHBondContact O-N 3.5Å; M35-L69 HydrophobicContact SD-CB 4.29Å; N40-L69 HydrophobicContact CB-CD1 4Å; L41-L69 HydrophobicContact CB-CD2 4.41Å; L41-L69 HydrophobicContact CD1-CD2 4.17Å; V44-L69 HydrophobicContact CB-CD2 4.01Å; V44-L69 HydrophobicContact CG1-CD2 4.42Å; V44-L69 HydrophobicContact CG2-CD2 3.71Å; L69-L72 PolarHBondContact O-N 3.26Å; L69-D73 PolarHBondContact O-N 2.79Å
70Q93.8Very high92.9Very high64 Ų6454.7 Ų54.730%0.29930%0.304SS..Hα-helixtrans-62.5-44.2177.2-173.461.858.300111.2I23 M35 S68 L72 D73 D74I23-Q70 VanDerWaalsContact CG2-OE1 3.3Å; M35-Q70 HydrophobicContact CE-CB 3.84Å; M35-Q70 VanDerWaalsContact CE-N 3.34Å; S68-Q70 PolarHBondContact O-N 3.15Å; S68-Q70 PolarHBondContact OG-N 2.94Å; Q70-L72 VanDerWaalsContact C-N 3.26Å; Q70-L72 PolarHBondContact O-N 3.48Å; Q70-D73 WeakPolarHBondContact O-CB 3.29Å; Q70-D73 PolarHBondContact O-N 3.37Å; Q70-D74 PolarHBondContact NE2-OD1 2.86Å; Q70-D74 PolarHBondContact O-N 3.46Å
71L95.2Very high92.9Very high41 Ų4157.8 Ų57.822%0.21532%0.317CS..Hα-helixtrans-65.6-31.8178.6-72.2171.7000112.5W56 L63 V67 S68 W75W56-L71 HydrophobicContact CH2-CB 4.21Å; L63-L71 HydrophobicContact CB-CD1 4.37Å; L63-L71 HydrophobicContact CD1-CB 4.06Å; L63-L71 HydrophobicContact CD1-CD1 4.29Å; L63-L71 HydrophobicContact CD2-CD2 4.45Å; V67-L71 HydrophobicContact CG1-CD1 4.44Å; S68-L71 PolarHBondContact O-N 3.26Å; S68-L71 PolarHBondContact OG-N 3.41Å; L71-W75 WeakPolarHBondContact O-CB 3.48Å; L71-W75 PolarHBondContact O-N 3.42Å; L71-W75 VanDerWaalsContact O-N 3.14Å
72L96.4Very high92.8Very high0 Ų052.2 Ų52.20%031%0.306CS..Hα-helixtrans-69-41173.9175.663.3000111.6L19 L41 V44 V45 L48 W56 S68 L69 Q70 W75 L76L19-L72 HydrophobicContact CD2-CD2 4.3Å; L19-L72 HydrophobicContact CD2-CG 4.21Å; L41-L72 HydrophobicContact CD1-CB 3.94Å; L41-L72 HydrophobicContact CD1-CD2 3.77Å; L41-L72 HydrophobicContact CD1-CG 4.44Å; V44-L72 HydrophobicContact CB-CD2 4.06Å; V44-L72 HydrophobicContact CG1-CD2 3.43Å; V44-L72 VanDerWaalsContact CG1-CD2 3.43Å; V45-L72 HydrophobicContact CG2-CD2 4Å; L48-L72 HydrophobicContact CD1-CD1 4.28Å; W56-L72 HydrophobicContact CD2-CD1 3.51Å; W56-L72 HydrophobicContact CE3-CD1 3.72Å; W56-L72 HydrophobicContact CG-CD1 3.97Å; W56-L72 HydrophobicContact CH2-CB 3.76Å; W56-L72 HydrophobicContact CH2-CD1 4.2Å; W56-L72 HydrophobicContact CZ2-CB 3.75Å; W56-L72 HydrophobicContact CZ2-CD1 4Å; W56-L72 HydrophobicContact CZ2-CG 4.42Å; W56-L72 HydrophobicContact CZ3-CB 4.28Å; W56-L72 HydrophobicContact CZ3-CD1 4.07Å; S68-L72 PolarHBondContact O-N 3.5Å; L69-L72 PolarHBondContact O-N 3.26Å; Q70-L72 VanDerWaalsContact C-N 3.26Å; Q70-L72 PolarHBondContact O-N 3.48Å; L72-W75 HydrophobicContact CD1-CE3 3.82Å; L72-W75 HydrophobicContact CD1-CZ3 4.14Å; L72-W75 PolarHBondContact O-N 3.28Å; L72-L76 HydrophobicContact CD1-CD1 4.27Å; L72-L76 HydrophobicContact CD1-CG 4.44Å; L72-L76 HydrophobicContact CG-CD1 4.2Å; L72-L76 WeakPolarHBondContact O-CB 3.32Å; L72-L76 PolarHBondContact O-N 3.32Å
73D95.8Very high92.8Very high0 Ų050.7 Ų50.70%029%0.286CS..Hα-helixtrans-64.6-46.4176.7-175.655.1000112.3L19 H20 I23 L69 Q70 W75 L76 C77L19-D73 HydrophobicContact CD2-CB 4.26Å; H20-D73 WeakPolarHBondContact CA-OD1 3.34Å; H20-D73 WeakPolarHBondContact CB-OD1 3.19Å; H20-D73 IonicContact CE1-OD2 3.21Å; H20-D73 IonicContact CG-OD1 3.64Å; H20-D73 IonicContact CG-OD2 3.05Å; H20-D73 IonicContact ND1-OD1 3.66Å; H20-D73 IonicContact ND1-OD2 2.91Å; H20-D73 PolarHBondContact ND1-OD2 3.23Å; I23-D73 HydrophobicContact CD1-CB 3.41Å; I23-D73 VanDerWaalsContact CD1-CB 3.41Å; L69-D73 PolarHBondContact O-N 2.79Å; Q70-D73 WeakPolarHBondContact O-CB 3.29Å; Q70-D73 PolarHBondContact O-N 3.37Å; D73-W75 VanDerWaalsContact C-N 3.28Å; D73-W75 PolarHBondContact O-N 3.31Å; D73-L76 PolarHBondContact O-N 3.31Å; D73-C77 WeakPolarHBondContact O-CB 2.94Å; D73-C77 PolarHBondContact O-N 2.83Å; D73-C77 PolarHBondContact O-SG 3.46Å
74D95.2Very high92.6Very high76 Ų7654.1 Ų54.141%0.40630%0.297SS..Hα-helixtrans-57.7-43.9174.6-62.4-15.9000110.7Q70 C77 E78Q70-D74 PolarHBondContact NE2-OD1 2.86Å; Q70-D74 PolarHBondContact O-N 3.46Å; D74-C77 WeakPolarHBondContact O-CB 3.34Å; D74-C77 PolarHBondContact O-N 3.37Å; D74-E78 PolarHBondContact O-N 3.24Å; D74-E78 VanDerWaalsContact O-N 3.11Å
75W96.9Very high92.4Very high28 Ų2852.6 Ų52.611%0.10629%0.288CS..Hα-helixtrans-67-40.2177173.777.7000113L48 L52 K55 W56 K59 L71 L72 D73 C77 E78 V79L48-W75 HydrophobicContact CD1-CZ3 4.12Å; L52-W75 HydrophobicContact CB-CH2 4.15Å; L52-W75 HydrophobicContact CD2-CH2 4.05Å; L52-W75 WeakPolarHBondContact O-CH2 3.22Å; K55-W75 HydrophobicContact CB-CH2 4.39Å; K55-W75 HydrophobicContact CB-CZ2 3.77Å; W56-W75 HydrophobicContact CB-CE3 4.35Å; W56-W75 HydrophobicContact CB-CH2 3.82Å; W56-W75 HydrophobicContact CB-CZ2 4.21Å; W56-W75 HydrophobicContact CB-CZ3 3.9Å; W56-W75 HydrophobicContact CD2-CE3 4.31Å; W56-W75 HydrophobicContact CE3-CB 3.98Å; W56-W75 AromaticContact CE3-CD2 3.56Å; W56-W75 HydrophobicContact CE3-CD2 3.56Å; W56-W75 AromaticContact CE3-CE3 3.62Å; W56-W75 HydrophobicContact CE3-CE3 3.62Å; W56-W75 AromaticContact CE3-CG 3.72Å; W56-W75 HydrophobicContact CE3-CG 3.72Å; W56-W75 HydrophobicContact CE3-CZ3 4.33Å; W56-W75 HydrophobicContact CZ3-CB 3.61Å; W56-W75 HydrophobicContact CZ3-CD2 4.16Å; W56-W75 HydrophobicContact CZ3-CE3 4.35Å; W56-W75 AromaticContact CZ3-CG 3.86Å; W56-W75 HydrophobicContact CZ3-CG 3.86Å; K59-W75 HydrophobicContact CG-CG 4.23Å; L71-W75 WeakPolarHBondContact O-CB 3.48Å; L71-W75 PolarHBondContact O-N 3.42Å; L71-W75 VanDerWaalsContact O-N 3.14Å; L72-W75 HydrophobicContact CD1-CE3 3.82Å; L72-W75 HydrophobicContact CD1-CZ3 4.14Å; L72-W75 PolarHBondContact O-N 3.28Å; D73-W75 VanDerWaalsContact C-N 3.28Å; D73-W75 PolarHBondContact O-N 3.31Å; W75-C77 VanDerWaalsContact C-N 3.33Å; W75-E78 WeakPolarHBondContact O-CB 3.31Å; W75-E78 PolarHBondContact O-N 2.92Å; W75-V79 HydrophobicContact CD2-CG2 4.17Å; W75-V79 HydrophobicContact CH2-CG2 4.22Å; W75-V79 HydrophobicContact CZ2-CG2 3.81Å; W75-V79 WeakPolarHBondContact O-CG2 3.25Å; W75-V79 PolarHBondContact O-N 3.34Å
76L96Very high92.3Very high1 Ų149 Ų491%0.00527%0.268CS..Hα-helixtrans-65.3-38.3175.8-85.3168.1000111.5F15 L19 L48 L72 D73 E78 V79 V80F15-L76 HydrophobicContact CD1-CD1 4.05Å; F15-L76 HydrophobicContact CE1-CD1 3.88Å; L19-L76 HydrophobicContact CD2-CD1 3.58Å; L48-L76 HydrophobicContact CD2-CD1 4.35Å; L48-L76 HydrophobicContact CD2-CD2 4.05Å; L72-L76 HydrophobicContact CD1-CD1 4.27Å; L72-L76 HydrophobicContact CD1-CG 4.44Å; L72-L76 HydrophobicContact CG-CD1 4.2Å; L72-L76 WeakPolarHBondContact O-CB 3.32Å; L72-L76 PolarHBondContact O-N 3.32Å; D73-L76 PolarHBondContact O-N 3.31Å; L76-E78 VanDerWaalsContact C-N 3.33Å; L76-E78 PolarHBondContact O-N 3.3Å; L76-V79 WeakPolarHBondContact O-CB 3.31Å; L76-V79 PolarHBondContact O-N 3.39Å; L76-V79 VanDerWaalsContact O-N 3.15Å; L76-V80 WeakPolarHBondContact O-CG2 3.25Å; L76-V80 PolarHBondContact O-N 3.03Å
77C94.3Very high91.9Very high44 Ų4446.4 Ų46.430%0.29725%0.253SS..Hα-helixtrans-58.2-45.4173-71.60000111.1D73 D74 W75 V79 V80 L81D73-C77 WeakPolarHBondContact O-CB 2.94Å; D73-C77 PolarHBondContact O-N 2.83Å; D73-C77 PolarHBondContact O-SG 3.46Å; D74-C77 WeakPolarHBondContact O-CB 3.34Å; D74-C77 PolarHBondContact O-N 3.37Å; W75-C77 VanDerWaalsContact C-N 3.33Å; C77-V79 VanDerWaalsContact C-N 3.34Å; C77-V79 PolarHBondContact O-N 3.45Å; C77-V80 PolarHBondContact O-N 3.42Å; C77-L81 WeakPolarHBondContact O-CB 3.24Å; C77-L81 VanDerWaalsContact O-CG 3.29Å; C77-L81 WeakPolarHBondContact O-CG 3.44Å; C77-L81 PolarHBondContact O-N 2.68Å
78E94.4Very high91Very high119 Ų11950.3 Ų50.356%0.55627%0.272SS*.Hα-helixtrans-60.3-40.3174.2-74.1-66.2154.600112.8D74 W75 L76 L81 T82D74-E78 PolarHBondContact O-N 3.24Å; D74-E78 VanDerWaalsContact O-N 3.11Å; W75-E78 WeakPolarHBondContact O-CB 3.31Å; W75-E78 PolarHBondContact O-N 2.92Å; L76-E78 VanDerWaalsContact C-N 3.33Å; L76-E78 PolarHBondContact O-N 3.3Å; E78-L81 PolarHBondContact O-N 3.5Å; E78-T82 VanDerWaalsContact O-CB 3.32Å; E78-T82 WeakPolarHBondContact O-CB 3.4Å; E78-T82 PolarHBondContact O-N 2.86Å; E78-T82 PolarHBondContact O-OG1 2.6Å
79V94.9Very high89.7Confident25 Ų2557 Ų5715%0.15230%0.299CS..Hα-helixtrans-63.6-43.8175.4172.80000111.2L12 L52 W75 L76 C77 T82 K83L12-V79 HydrophobicContact CD1-CG1 4.46Å; L52-V79 HydrophobicContact CD2-CG1 4.27Å; W75-V79 HydrophobicContact CD2-CG2 4.17Å; W75-V79 HydrophobicContact CH2-CG2 4.22Å; W75-V79 HydrophobicContact CZ2-CG2 3.81Å; W75-V79 WeakPolarHBondContact O-CG2 3.25Å; W75-V79 PolarHBondContact O-N 3.34Å; L76-V79 WeakPolarHBondContact O-CB 3.31Å; L76-V79 PolarHBondContact O-N 3.39Å; L76-V79 VanDerWaalsContact O-N 3.15Å; C77-V79 VanDerWaalsContact C-N 3.34Å; C77-V79 PolarHBondContact O-N 3.45Å; V79-T82 PolarHBondContact O-N 3.19Å; V79-K83 WeakPolarHBondContact O-CB 3.27Å; V79-K83 WeakPolarHBondContact O-CG 3.33Å; V79-K83 PolarHBondContact O-N 3.29Å
80V94.4Very high87.9Confident6 Ų662.5 Ų62.54%0.03633%0.328CS..Hα-helixtrans-64.8-46.3176.4174.20000110.8L9 L12 L76 C77 T82 K83 R84L9-V80 HydrophobicContact CD1-CG1 4.21Å; L12-V80 HydrophobicContact CB-CG2 4.04Å; L76-V80 WeakPolarHBondContact O-CG2 3.25Å; L76-V80 PolarHBondContact O-N 3.03Å; C77-V80 PolarHBondContact O-N 3.42Å; V80-T82 VanDerWaalsContact C-N 3.33Å; V80-T82 PolarHBondContact O-N 3.22Å; V80-K83 CarbonylContact O-C 3.57Å; V80-K83 WeakPolarHBondContact O-CB 3.49Å; V80-K83 PolarHBondContact O-N 3.47Å; V80-K83 VanDerWaalsContact O-N 3.12Å; V80-R84 HydrophobicContact CG1-CG 4.31Å; V80-R84 WeakPolarHBondContact O-CG 3.48Å; V80-R84 PolarHBondContact O-N 3.03Å
81L91.1Very high85.8Confident87 Ų8767.2 Ų67.246%0.45535%0.35SS..Hα-helixtrans-61.1-41.2177.9-73.3173.3000111.9C77 E78 K83 R84 S85C77-L81 WeakPolarHBondContact O-CB 3.24Å; C77-L81 VanDerWaalsContact O-CG 3.29Å; C77-L81 WeakPolarHBondContact O-CG 3.44Å; C77-L81 PolarHBondContact O-N 2.68Å; E78-L81 PolarHBondContact O-N 3.5Å; L81-K83 VanDerWaalsContact C-N 3.33Å; L81-K83 PolarHBondContact O-N 2.8Å; L81-R84 PolarHBondContact O-N 2.76Å; L81-S85 VanDerWaalsContact O-CB 3.3Å; L81-S85 WeakPolarHBondContact O-CB 3.45Å; L81-S85 PolarHBondContact O-N 2.85Å; L81-S85 PolarHBondContact O-OG 3.42Å
82T90.3Very high83.5Confident90 Ų9069.9 Ų69.955%0.55237%0.372SS*.Hα-helixtrans-61.3-43.6174-600000111E78 V79 V80 S85 A86E78-T82 VanDerWaalsContact O-CB 3.32Å; E78-T82 WeakPolarHBondContact O-CB 3.4Å; E78-T82 PolarHBondContact O-N 2.86Å; E78-T82 PolarHBondContact O-OG1 2.6Å; V79-T82 PolarHBondContact O-N 3.19Å; V80-T82 VanDerWaalsContact C-N 3.33Å; V80-T82 PolarHBondContact O-N 3.22Å; T82-S85 PolarHBondContact O-N 3.23Å; T82-A86 WeakPolarHBondContact O-CB 3.46Å; T82-A86 PolarHBondContact O-N 3.31Å
83K90Very high80.8Confident79 Ų7975.3 Ų75.334%0.34341%0.406SS..Hα-helixtrans-67.9-41.3177.9-81-73.7-169171.30113.2L9 L12 V79 V80 L81 A86 A87L9-K83 HydrophobicContact CD1-CB 4.26Å; L12-K83 HydrophobicContact CD1-CB 4.48Å; L12-K83 HydrophobicContact CD1-CD 4.45Å; L12-K83 HydrophobicContact CD1-CG 3.81Å; V79-K83 WeakPolarHBondContact O-CB 3.27Å; V79-K83 WeakPolarHBondContact O-CG 3.33Å; V79-K83 PolarHBondContact O-N 3.29Å; V80-K83 CarbonylContact O-C 3.57Å; V80-K83 WeakPolarHBondContact O-CB 3.49Å; V80-K83 PolarHBondContact O-N 3.47Å; V80-K83 VanDerWaalsContact O-N 3.12Å; L81-K83 VanDerWaalsContact C-N 3.33Å; L81-K83 PolarHBondContact O-N 2.8Å; K83-A86 PolarHBondContact O-N 2.95Å; K83-A87 PolarHBondContact O-N 2.82Å
84R88.2Confident78Confident113 Ų11383.1 Ų83.143%0.42644%0.444SS..Hα-helixtrans-60-48172.5-74.9-174.4174.3171-4.9110.5L9 D13 V80 L81 A86 A87 I88L9-R84 HydrophobicContact CD1-CB 4.38Å; L9-R84 HydrophobicContact CD1-CG 3.34Å; L9-R84 HydrophobicContact CD2-CG 3.91Å; L9-R84 HydrophobicContact CG-CG 4.24Å; D13-R84 IonicContact OD1-CZ 3.73Å; D13-R84 IonicContact OD1-NE 2.7Å; D13-R84 IonicContact OD1-NH2 3.45Å; D13-R84 PolarHBondContact OD1-NH2 2.9Å; D13-R84 IonicContact OD2-NH2 2.7Å; D13-R84 PolarHBondContact OD2-NH2 3.34Å; V80-R84 HydrophobicContact CG1-CG 4.31Å; V80-R84 WeakPolarHBondContact O-CG 3.48Å; V80-R84 PolarHBondContact O-N 3.03Å; L81-R84 PolarHBondContact O-N 2.76Å; R84-A86 VanDerWaalsContact C-N 3.3Å; R84-A86 PolarHBondContact O-N 2.63Å; R84-A87 WeakPolarHBondContact O-CB 3.36Å; R84-A87 PolarHBondContact O-N 3.38Å; R84-A87 VanDerWaalsContact O-N 3.09Å; R84-I88 PolarHBondContact O-N 3.25Å
85S82.7Confident75.5Confident62 Ų6288 Ų8843%0.43446%0.462SS..Hα-helixtrans-61.1-39.3178.8-58.20000112.1L81 T82 F89L81-S85 VanDerWaalsContact O-CB 3.3Å; L81-S85 WeakPolarHBondContact O-CB 3.45Å; L81-S85 PolarHBondContact O-N 2.85Å; L81-S85 PolarHBondContact O-OG 3.42Å; T82-S85 PolarHBondContact O-N 3.23Å; S85-F89 WeakPolarHBondContact O-CD2 3.4Å; S85-F89 WeakPolarHBondContact O-CE2 3.18Å
86A81.7Confident72.8Confident51 Ų5192.2 Ų92.242%0.42148%0.481SS..Hα-helixtrans-66.1-37.8174.300000112.6T82 K83 R84 I88 F89T82-A86 WeakPolarHBondContact O-CB 3.46Å; T82-A86 PolarHBondContact O-N 3.31Å; K83-A86 PolarHBondContact O-N 2.95Å; R84-A86 VanDerWaalsContact C-N 3.3Å; R84-A86 PolarHBondContact O-N 2.63Å; A86-I88 VanDerWaalsContact C-N 3.32Å; A86-I88 PolarHBondContact O-N 3.18Å; A86-F89 PolarHBondContact O-N 3.3Å
87A78.2Confident69.8Low30 Ų3094.6 Ų94.625%0.24850%0.497CS..Hα-helixtrans-67-28.9-179.600000113.5L9 K83 R84 F89 D90 E91L9-A87 HydrophobicContact CD2-CB 4.35Å; K83-A87 PolarHBondContact O-N 2.82Å; R84-A87 WeakPolarHBondContact O-CB 3.36Å; R84-A87 PolarHBondContact O-N 3.38Å; R84-A87 VanDerWaalsContact O-N 3.09Å; A87-F89 PolarHBondContact O-N 3.36Å; A87-D90 PolarHBondContact O-N 3.13Å; A87-E91 PolarHBondContact O-N 2.81Å
88I73.5Confident66.8Low115 Ų11597.7 Ų97.759%0.5953%0.525SS*.Hα-helixtrans-57.8-35.3174.1-63.5169.7000111.1R84 A86 D90R84-I88 PolarHBondContact O-N 3.25Å; A86-I88 VanDerWaalsContact C-N 3.32Å; A86-I88 PolarHBondContact O-N 3.18Å; I88-D90 VanDerWaalsContact C-N 3.33Å
89F65.3Low64.2Low159 Ų15996.3 Ų96.370%0.69754%0.535SS*.Hα-helixtrans-76.5-19.9177.2-60.6-75000113S85 A86 A87 S92S85-F89 WeakPolarHBondContact O-CD2 3.4Å; S85-F89 WeakPolarHBondContact O-CE2 3.18Å; A86-F89 PolarHBondContact O-N 3.3Å; A87-F89 PolarHBondContact O-N 3.36Å; F89-S92 PolarHBondContact O-OG 3.47Å
90D58.1Low61.5Low122 Ų122100 Ų10065%0.65256%0.562SS**Hα-helixtrans-85.2-36.9176.4-80.2-22.6000112A87 I88 S92 T93A87-D90 PolarHBondContact O-N 3.13Å; I88-D90 VanDerWaalsContact C-N 3.33Å; D90-S92 VanDerWaalsContact C-N 3.29Å; D90-S92 PolarHBondContact O-N 3.28Å; D90-T93 PolarHBondContact O-N 3.4Å; D90-T93 PolarHBondContact O-OG1 3.12Å
91E49.8Very low58.5Low163 Ų163111.8 Ų111.876%0.76261%0.605SS**Hα-helixtrans-69.4-20.7-178.1-84.5-171159.600114.5A87 T93A87-E91 PolarHBondContact O-N 2.81Å; E91-T93 PolarHBondContact O-N 2.84Å; E91-T93 VanDerWaalsContact O-N 3.09Å
92S45.7Very low55.8Low97 Ų97115.6 Ų115.668%0.67862%0.621SS**THydrogen-bonded Turntrans-75.59.3176.945.50000114.2F89 D90F89-S92 PolarHBondContact O-OG 3.47Å; D90-S92 VanDerWaalsContact C-N 3.29Å; D90-S92 PolarHBondContact O-N 3.28Å
93T39.1Very low53.1Low114 Ų114121 Ų12170%0.69964%0.637SS**  trans-115.848.2175.454.20000113.8D90 E91D90-T93 PolarHBondContact O-N 3.4Å; D90-T93 PolarHBondContact O-OG1 3.12Å; E91-T93 PolarHBondContact O-N 2.84Å; E91-T93 VanDerWaalsContact O-N 3.09Å
94M38.5Very low50.2Low165 Ų165127.1 Ų127.181%0.81366%0.663SS**  trans-112.380.5161.6-73.3-143.3156.700109.9
95F41.7Very low47.5Very low178 Ų178125.7 Ų125.778%0.78168%0.675SS**  trans171.9114.4150-96.5-72.8000108.5
96K41.3Very low45Very low117 Ų117126.3 Ų126.351%0.50969%0.685SS.*  trans134.2144.5150.1-71.1-171.7-174.9-136.20115.5D492K96-D492 WeakPolarHBondContact CE-OD2 3.42Å; K96-D492 IonicContact NZ-OD1 3.06Å; K96-D492 PolarHBondContact NZ-OD1 3.21Å; K96-D492 VanDerWaalsContact NZ-OD1 3.09Å; K96-D492 IonicContact NZ-OD2 2.76Å; K96-D492 PolarHBondContact NZ-OD2 2.84Å
97P31.7Very low42.4Very low51 Ų51126.1 Ų126.133%0.33169%0.688SS.*  trans-92.8176.1-135.238.6-40.7000115.1A99 L495 A498P97-A99 PolarHBondContact O-N 2.83Å; P97-A99 VanDerWaalsContact O-N 3.13Å; P97-L495 HydrophobicContact CB-CD1 3.62Å; P97-L495 HydrophobicContact CG-CD1 3.51Å; P97-A498 HydrophobicContact CG-CB 4.09Å
98A31.2Very low39.9Very low108 Ų108128.5 Ų128.589%0.89370%0.699SS**  trans-52.6106.417900000113.8
99A41Very low37.8Very low91 Ų91129.4 Ų129.475%0.75271%0.705SS**  trans-139.5121.5155.700000109P97P97-A99 PolarHBondContact O-N 2.83Å; P97-A99 VanDerWaalsContact O-N 3.13Å
100S38.7Very low36Very low103 Ų103126.2 Ų126.272%0.7270%0.698SS**  trans41.6104.3161.8-177.20000117.8Q102S100-Q102 PolarHBondContact O-N 3.36Å
101R31Very low34.7Very low252 Ų252125.3 Ų125.395%0.95170%0.697SS**  trans-54.695159.4-85.1176.9165.4178.2-3.1110.4
102Q34.1Very low33.9Very low167 Ų167121.7 Ų121.778%0.7869%0.685SS**  trans-111.8101148.8-81.3-176.3-19.100107.5S100 K104S100-Q102 PolarHBondContact O-N 3.36Å; Q102-K104 PolarHBondContact O-N 3.48Å
103K34.5Very low33.4Very low205 Ų205121.8 Ų121.889%0.89167%0.674SS**  trans-54.6108.3165.5-77.1-178.1175-179.20107.2A105K103-A105 PolarHBondContact O-N 2.77Å
104K29.2Very low33.1Very low207 Ų207120.9 Ų120.990%0.966%0.664SS**  trans-70.579.1163.6-72.3-177.5-178.6172.30107.6Q102Q102-K104 PolarHBondContact O-N 3.48Å
105A30.7Very low33.1Very low82 Ų82119.1 Ų119.168%0.67865%0.652SS**  trans-67.2132.2156.600000106.7K103 G107K103-A105 PolarHBondContact O-N 2.77Å; A105-G107 PolarHBondContact O-N 3.41Å
106A29.3Very low32.7Very low76 Ų76116.1 Ų116.163%0.62865%0.649SS**  trans-54.5111.8162.200000106.7V108A106-V108 PolarHBondContact O-N 2.81Å
107G27.5Very low32.6Very low47 Ų47116.2 Ų116.249%0.48565%0.654SS.*  trans-66.2104.9178.800000108.4A105 N109A105-G107 PolarHBondContact O-N 3.41Å; G107-N109 PolarHBondContact O-N 3.49Å
108V26.9Very low33.2Very low80 Ų80117.5 Ų117.549%0.48567%0.665SS.*  trans-75.3103.8163.7-178.30000106A106 V110 V217A106-V108 PolarHBondContact O-N 2.81Å; V108-V110 VanDerWaalsContact C-N 3.32Å; V108-V110 HydrophobicContact CG1-CG2 3.72Å; V108-V110 PolarHBondContact O-N 2.82Å; V108-V217 HydrophobicContact CG1-CG1 3.82Å
109N29.3Very low34.4Very low134 Ų134115.5 Ų115.572%0.71765%0.648SS**  trans-73.995.6164.5-72.7-26.8000107G107 V111G107-N109 PolarHBondContact O-N 3.49Å; N109-V111 PolarHBondContact O-N 3.47Å
110V27Very low36Very low91 Ų91114.1 Ų114.155%0.55263%0.63SS**  trans-74.3101.9170.1-176.90000107.1V108 V112V108-V110 VanDerWaalsContact C-N 3.32Å; V108-V110 HydrophobicContact CG1-CG2 3.72Å; V108-V110 PolarHBondContact O-N 2.82Å; V110-V112 HydrophobicContact CG1-CG2 3.89Å
111V31.7Very low38.2Very low104 Ų104109.3 Ų109.363%0.6360%0.596SS**BIsolated β-bridgetrans-94.598.3163.3-177.90000106.4N109 K113N109-V111 PolarHBondContact O-N 3.47Å; V111-K113 PolarHBondContact O-N 3.46Å
112V32.3Very low40.8Very low86 Ų8699.2 Ų99.252%0.52157%0.567SS.*  trans-66.3103.6164.2-177.50000105.9V110 D114V110-V112 HydrophobicContact CG1-CG2 3.89Å; V112-D114 PolarHBondContact O-N 3.43Å
113K35.7Very low43.5Very low100 Ų10092.1 Ų92.144%0.43554%0.536SS..  trans-72.789.3164.6-154.4-177.7-171.7-174.40105.4V111 K115V111-K113 PolarHBondContact O-N 3.46Å; K113-K115 PolarHBondContact O-N 3.01Å; K113-K115 VanDerWaalsContact O-N 3.17Å
114D32.9Very low46.1Very low94 Ų9483.5 Ų83.550%0.50350%0.502SS..  trans-55.2126.6152.4-120.7-5.6000103.9V112 T116 K213V112-D114 PolarHBondContact O-N 3.43Å; D114-T116 PolarHBondContact O-N 2.71Å; D114-K213 VanDerWaalsContact OD1-CE 3.28Å; D114-K213 WeakPolarHBondContact OD1-CE 3.17Å; D114-K213 IonicContact OD1-NZ 3.7Å; D114-K213 PolarHBondContact OD1-NZ 2.96Å
115K37.2Very low48.7Very low129 Ų12979.5 Ų79.556%0.56149%0.49SS*.  trans-53.898145.4-83.5-178.6175.6178.80102.3K113 L117K113-K115 PolarHBondContact O-N 3.01Å; K113-K115 VanDerWaalsContact O-N 3.17Å; K115-L117 PolarHBondContact O-N 2.76Å
116T33.1Very low51.2Low114 Ų11484.4 Ų84.470%0.69949%0.491SS*.  trans-53.888.7135.352.60000101.9D114 S118D114-T116 PolarHBondContact O-N 2.71Å; T116-S118 PolarHBondContact O-N 3.18Å
117L40.8Very low53.8Low119 Ų11985.6 Ų85.662%0.62350%0.495SS*.  trans-38.599.1136.8-74.7158.4000100.8K115 A119K115-L117 PolarHBondContact O-N 2.76Å; L117-A119 WeakPolarHBondContact O-CA 3.38Å; L117-A119 PolarHBondContact O-N 2.59Å
118S43.4Very low56.6Low79 Ų7985.6 Ų85.655%0.55248%0.482SS*.  trans-48.9104.4168.446.70000102T116 V120T116-S118 PolarHBondContact O-N 3.18Å; S118-V120 WeakPolarHBondContact O-CA 3.47Å; S118-V120 WeakPolarHBondContact O-CG1 3.1Å; S118-V120 PolarHBondContact O-N 2.7Å
119A56Low59.4Low66 Ų6684.5 Ų84.555%0.54548%0.477SS..  trans-57.895.4-146.200000108.1L117 C121L117-A119 WeakPolarHBondContact O-CA 3.38Å; L117-A119 PolarHBondContact O-N 2.59Å; A119-C121 PolarHBondContact O-N 2.7Å
120V75.1Confident62.3Low62 Ų6278.6 Ų78.638%0.37645%0.445SS..BIsolated β-bridgetrans-73.4127.4-177.8-79.30000103.1S118 A122 R126S118-V120 WeakPolarHBondContact O-CA 3.47Å; S118-V120 WeakPolarHBondContact O-CG1 3.1Å; S118-V120 PolarHBondContact O-N 2.7Å; V120-A122 PolarHBondContact O-N 3.05Å; V120-A122 VanDerWaalsContact O-N 3.13Å; V120-R126 WeakPolarHBondContact CA-O 3.44Å
121C85.3Confident65.3Low2 Ų276.8 Ų76.81%0.01444%0.435CS..  trans-54.6124.6179.9172.20000109A119 A123 C124 N125 R126 H128 L130 C133A119-C121 PolarHBondContact O-N 2.7Å; C121-A123 PolarHBondContact O-N 2.98Å; C121-A123 PolarHBondContact SG-N 2.74Å; C121-A123 VanDerWaalsContact SG-N 3.36Å; C121-C124 VanDerWaalsContact CB-SG 3.5Å; C121-C124 PolarHBondContact O-N 3.45Å; C121-N125 WeakPolarHBondContact O-CA 3.28Å; C121-N125 PolarHBondContact O-N 3.19Å; C121-R126 WeakPolarHBondContact CB-O 3.42Å; C121-R126 PolarHBondContact N-O 3.32Å; C121-H128 WeakPolarHBondContact CB-CE1 3.31Å; C121-H128 WeakPolarHBondContact CB-O 3.39Å; C121-H128 VanDerWaalsContact SG-CE1 3.56Å; C121-L130 VanDerWaalsContact SG-CD1 3.6Å; C121-C133 WeakPolarHBondContact SG-CB 3.38Å; C121-C133 PolarHBondContact SG-SG 3.38Å
122A85.8Confident68.1Low40 Ų4078.4 Ų78.433%0.33144%0.436SS..THydrogen-bonded Turntrans-63-13.9-179.100000114.6V120 L130 V147 A151V120-A122 PolarHBondContact O-N 3.05Å; V120-A122 VanDerWaalsContact O-N 3.13Å; A122-L130 HydrophobicContact CB-CD1 4.15Å; A122-V147 HydrophobicContact CB-CG1 4.15Å; A122-A151 HydrophobicContact CB-CB 3.37Å
123A89.2Confident71Confident17 Ų1774.5 Ų74.514%0.1441%0.412CS..THydrogen-bonded Turntrans-92.3-39.8176.800000113.5C121 L130 Q135 F136 M139 V147C121-A123 PolarHBondContact O-N 2.98Å; C121-A123 PolarHBondContact SG-N 2.74Å; C121-A123 VanDerWaalsContact SG-N 3.36Å; A123-L130 HydrophobicContact CB-CD1 3.88Å; A123-Q135 PolarHBondContact O-OE1 2.84Å; A123-F136 HydrophobicContact CB-CB 3.77Å; A123-F136 HydrophobicContact CB-CD2 4.21Å; A123-F136 HydrophobicContact CB-CG 4.46Å; A123-M139 HydrophobicContact CB-CE 4.08Å; A123-V147 HydrophobicContact CB-CG1 4.26Å
124C89.9Confident73.7Confident25 Ų2578 Ų7817%0.16943%0.429CS..THydrogen-bonded Turntrans-124.5-3.1-170.472.10000115.1C121 R126 H128 Q135C121-C124 VanDerWaalsContact CB-SG 3.5Å; C121-C124 PolarHBondContact O-N 3.45Å; C124-R126 PolarHBondContact O-N 2.99Å; C124-H128 PolarHBondContact SG-CE1 3.17Å; C124-H128 PolarHBondContact SG-NE2 3.39Å; C124-Q135 HydrophobicContact CB-CB 4.33Å
125N83.1Confident76.5Confident123 Ų12378 Ų7866%0.65843%0.427SS*.  trans58.618.8-176.2-59.1-42.3000115.9C121C121-N125 WeakPolarHBondContact O-CA 3.28Å; C121-N125 PolarHBondContact O-N 3.19Å
126R84.3Confident79.2Confident184 Ų18471.9 Ų71.969%0.69440%0.4SS*.SBendtrans-95.7163.7174.4-57.1-179.8-174.9-177.90.1112V120 C121 C124 H128V120-R126 WeakPolarHBondContact CA-O 3.44Å; C121-R126 WeakPolarHBondContact CB-O 3.42Å; C121-R126 PolarHBondContact N-O 3.32Å; C124-R126 PolarHBondContact O-N 2.99Å; R126-H128 PolarHBondContact O-N 3.14Å
127S83.9Confident82Confident102 Ų10270.6 Ų70.671%0.71339%0.389SS*.BIsolated β-bridgetrans-78.676.2-175.3-59.20000113.7
128H85Confident84.4Confident46 Ų4669.4 Ų69.421%0.21339%0.391CS..SBendtrans-159.6156169.655.473.1000110C121 C124 R126 C133C121-H128 WeakPolarHBondContact CB-CE1 3.31Å; C121-H128 WeakPolarHBondContact CB-O 3.39Å; C121-H128 VanDerWaalsContact SG-CE1 3.56Å; C124-H128 PolarHBondContact SG-CE1 3.17Å; C124-H128 PolarHBondContact SG-NE2 3.39Å; R126-H128 PolarHBondContact O-N 3.14Å; H128-C133 VanDerWaalsContact CE1-CA 3.46Å; H128-C133 WeakPolarHBondContact CE1-CA 3.34Å; H128-C133 WeakPolarHBondContact CE1-CB 3.48Å
129P86.2Confident86.8Confident58 Ų5867.7 Ų67.738%0.37737%0.374SS..  trans-61.5152.8174.726.2-34.6000111.6T131 Q132 C133P129-T131 PolarHBondContact O-N 2.88Å; P129-T131 VanDerWaalsContact O-N 3.15Å; P129-Q132 HydrophobicContact CG-CB 4.13Å; P129-Q132 HydrophobicContact CG-CG 3.91Å; P129-Q132 PolarHBondContact O-N 2.93Å; P129-C133 PolarHBondContact O-N 2.97Å
130L90.5Very high88.6Confident9 Ų968.5 Ų68.55%0.04737%0.373CS..G310 helixtrans-57.5-30.7178.9-169.963.9000112.1C121 A122 A123 Q132 C133 F136 V147 L158C121-L130 VanDerWaalsContact SG-CD1 3.6Å; A122-L130 HydrophobicContact CB-CD1 4.15Å; A123-L130 HydrophobicContact CB-CD1 3.88Å; L130-Q132 PolarHBondContact O-N 3.02Å; L130-C133 WeakPolarHBondContact O-CB 3.26Å; L130-C133 PolarHBondContact O-N 3.17Å; L130-F136 HydrophobicContact CD1-CB 3.92Å; L130-F136 HydrophobicContact CD1-CD1 4.21Å; L130-F136 HydrophobicContact CD1-CD2 3.55Å; L130-F136 HydrophobicContact CD1-CE2 4.04Å; L130-F136 HydrophobicContact CD1-CG 3.62Å; L130-F136 HydrophobicContact CD2-CD2 4.2Å; L130-F136 HydrophobicContact CD2-CE1 4.32Å; L130-F136 HydrophobicContact CD2-CE2 3.8Å; L130-F136 HydrophobicContact CD2-CZ 3.87Å; L130-F136 HydrophobicContact CG-CD1 3.93Å; L130-F136 HydrophobicContact CG-CD2 3.9Å; L130-F136 HydrophobicContact CG-CE1 4.04Å; L130-F136 HydrophobicContact CG-CE2 3.98Å; L130-F136 HydrophobicContact CG-CG 3.86Å; L130-F136 HydrophobicContact CG-CZ 4.05Å; L130-F136 WeakPolarHBondContact O-CD1 3.44Å; L130-V147 HydrophobicContact CD1-CG1 4.25Å; L130-L158 HydrophobicContact CD2-CB 4.49Å
131T90.6Very high89.3Confident53 Ų5368.8 Ų68.833%0.32537%0.372SS..G310 helixtrans-64.3-20.9176.755.40000114.4P129 L158P129-T131 PolarHBondContact O-N 2.88Å; P129-T131 VanDerWaalsContact O-N 3.15Å; T131-L158 HydrophobicContact CG2-CB 3.85Å; T131-L158 HydrophobicContact CG2-CD1 4.15Å
132Q90.5Very high89.5Confident139 Ų13971.5 Ų71.565%0.6539%0.386SS*.G310 helixtrans-107.74.7179.9-69.3177.7-7.400112.5P129 L130 E134P129-Q132 HydrophobicContact CG-CB 4.13Å; P129-Q132 HydrophobicContact CG-CG 3.91Å; P129-Q132 PolarHBondContact O-N 2.93Å; L130-Q132 PolarHBondContact O-N 3.02Å; Q132-E134 PolarHBondContact O-N 2.72Å
133C92.2Very high89.8Confident3 Ų372.3 Ų72.32%0.0239%0.385CS..  trans-80.3117.9-178.5-177.10000111.7C121 H128 P129 L130 Q135 F136 N137C121-C133 WeakPolarHBondContact SG-CB 3.38Å; C121-C133 PolarHBondContact SG-SG 3.38Å; H128-C133 VanDerWaalsContact CE1-CA 3.46Å; H128-C133 WeakPolarHBondContact CE1-CA 3.34Å; H128-C133 WeakPolarHBondContact CE1-CB 3.48Å; P129-C133 PolarHBondContact O-N 2.97Å; L130-C133 WeakPolarHBondContact O-CB 3.26Å; L130-C133 PolarHBondContact O-N 3.17Å; C133-Q135 PolarHBondContact O-N 3.38Å; C133-F136 HydrophobicContact CB-CB 3.63Å; C133-F136 PolarHBondContact O-N 3.39Å; C133-F136 PolarHBondContact SG-N 2.9Å; C133-N137 WeakPolarHBondContact O-CB 3.41Å; C133-N137 PolarHBondContact O-N 3.43Å
134E92.8Very high90.1Very high173 Ų17373.1 Ų73.181%0.80838%0.384SS*.Hα-helixtrans-60.5-43.5173.9-67-177.8170.900112Q132 F136 N137 S138Q132-E134 PolarHBondContact O-N 2.72Å; E134-F136 VanDerWaalsContact C-N 3.31Å; E134-F136 PolarHBondContact O-N 3.35Å; E134-N137 CarbonylContact O-C 3.4Å; E134-N137 PolarHBondContact O-N 3.22Å; E134-N137 VanDerWaalsContact O-N 3.09Å; E134-S138 PolarHBondContact O-N 3.34Å; E134-S138 PolarHBondContact O-OG 3.4Å
135Q92.7Very high90.2Very high96 Ų9672.1 Ų72.145%0.44938%0.377SS..Hα-helixtrans-61.7-38.2177.1-167.1-174-11.900112.2A123 C124 C133 S138 M139A123-Q135 PolarHBondContact O-OE1 2.84Å; C124-Q135 HydrophobicContact CB-CB 4.33Å; C133-Q135 PolarHBondContact O-N 3.38Å; Q135-S138 WeakPolarHBondContact CA-OG 3.08Å; Q135-S138 PolarHBondContact O-N 3.23Å; Q135-S138 PolarHBondContact O-OG 3.04Å; Q135-M139 HydrophobicContact CG-CE 4.21Å; Q135-M139 VanDerWaalsContact O-CG 3.31Å; Q135-M139 WeakPolarHBondContact O-CG 3.29Å; Q135-M139 PolarHBondContact O-N 3.19Å
136F94Very high90.7Very high0 Ų071.3 Ų71.30%037%0.368CS..Hα-helixtrans-68.7-38.8174.4-176.7-107.7000111.3A123 L130 C133 E134 S138 M139 R144 V147 L158 L185 L186A123-F136 HydrophobicContact CB-CB 3.77Å; A123-F136 HydrophobicContact CB-CD2 4.21Å; A123-F136 HydrophobicContact CB-CG 4.46Å; L130-F136 HydrophobicContact CD1-CB 3.92Å; L130-F136 HydrophobicContact CD1-CD1 4.21Å; L130-F136 HydrophobicContact CD1-CD2 3.55Å; L130-F136 HydrophobicContact CD1-CE2 4.04Å; L130-F136 HydrophobicContact CD1-CG 3.62Å; L130-F136 HydrophobicContact CD2-CD2 4.2Å; L130-F136 HydrophobicContact CD2-CE1 4.32Å; L130-F136 HydrophobicContact CD2-CE2 3.8Å; L130-F136 HydrophobicContact CD2-CZ 3.87Å; L130-F136 HydrophobicContact CG-CD1 3.93Å; L130-F136 HydrophobicContact CG-CD2 3.9Å; L130-F136 HydrophobicContact CG-CE1 4.04Å; L130-F136 HydrophobicContact CG-CE2 3.98Å; L130-F136 HydrophobicContact CG-CG 3.86Å; L130-F136 HydrophobicContact CG-CZ 4.05Å; L130-F136 WeakPolarHBondContact O-CD1 3.44Å; C133-F136 HydrophobicContact CB-CB 3.63Å; C133-F136 PolarHBondContact O-N 3.39Å; C133-F136 PolarHBondContact SG-N 2.9Å; E134-F136 VanDerWaalsContact C-N 3.31Å; E134-F136 PolarHBondContact O-N 3.35Å; F136-S138 VanDerWaalsContact C-N 3.28Å; F136-S138 PolarHBondContact O-N 2.85Å; F136-M139 HydrophobicContact CD2-SD 4.32Å; F136-M139 PolarHBondContact O-N 2.84Å; F136-R144 HydrophobicContact CD2-CB 4.42Å; F136-R144 HydrophobicContact CD2-CG 4.2Å; F136-R144 HydrophobicContact CE1-CB 4.35Å; F136-R144 HydrophobicContact CE1-CG 4.25Å; F136-R144 HydrophobicContact CE2-CB 3.7Å; F136-R144 HydrophobicContact CE2-CG 3.94Å; F136-R144 WeakPolarHBondContact CE2-O 3.36Å; F136-R144 HydrophobicContact CZ-CB 3.65Å; F136-R144 HydrophobicContact CZ-CG 3.96Å; F136-R144 VanDerWaalsContact O-CG 3.26Å; F136-R144 WeakPolarHBondContact O-CG 3.5Å; F136-R144 PolarHBondContact O-NE 2.89Å; F136-V147 HydrophobicContact CD2-CB 4.26Å; F136-V147 HydrophobicContact CD2-CG1 4Å; F136-V147 HydrophobicContact CE2-CB 4.02Å; F136-V147 HydrophobicContact CE2-CG1 4Å; F136-L158 HydrophobicContact CE1-CD1 3.75Å; F136-L158 HydrophobicContact CZ-CD1 4.19Å; F136-L185 HydrophobicContact CD1-CD1 4.23Å; F136-L185 HydrophobicContact CE1-CB 4.19Å; F136-L185 HydrophobicContact CE1-CD1 4.11Å; F136-L186 HydrophobicContact CZ-CD2 4.23Å
137N91.5Very high91.1Very high87 Ų8763.8 Ų63.847%0.46534%0.342SS..Hα-helixtrans-77-13.3-180-158.516.6000113.3C133 E134 R144 L185C133-N137 WeakPolarHBondContact O-CB 3.41Å; C133-N137 PolarHBondContact O-N 3.43Å; E134-N137 CarbonylContact O-C 3.4Å; E134-N137 PolarHBondContact O-N 3.22Å; E134-N137 VanDerWaalsContact O-N 3.09Å; N137-R144 PolarHBondContact O-NH2 3.12Å; N137-R144 PolarHBondContact OD1-NH1 2.88Å; N137-L185 WeakPolarHBondContact OD1-CD2 3.27Å
138S91.7Very high91.5Very high94 Ų9459 Ų5966%0.65731%0.308SS*.Hα-helixtrans-92.4-15.1171.663.70000113.5E134 Q135 F136E134-S138 PolarHBondContact O-N 3.34Å; E134-S138 PolarHBondContact O-OG 3.4Å; Q135-S138 WeakPolarHBondContact CA-OG 3.08Å; Q135-S138 PolarHBondContact O-N 3.23Å; Q135-S138 PolarHBondContact O-OG 3.04Å; F136-S138 VanDerWaalsContact C-N 3.28Å; F136-S138 PolarHBondContact O-N 2.85Å
139M93.2Very high91.7Very high43 Ų4361.6 Ų61.621%0.21232%0.317CS..SBendtrans-65154.2173.9-75.1169-175.400112.2A123 Q135 F136 D143 R144 V147A123-M139 HydrophobicContact CB-CE 4.08Å; Q135-M139 HydrophobicContact CG-CE 4.21Å; Q135-M139 VanDerWaalsContact O-CG 3.31Å; Q135-M139 WeakPolarHBondContact O-CG 3.29Å; Q135-M139 PolarHBondContact O-N 3.19Å; F136-M139 HydrophobicContact CD2-SD 4.32Å; F136-M139 PolarHBondContact O-N 2.84Å; M139-D143 HydrophobicContact CB-CB 4.14Å; M139-D143 HydrophobicContact CG-CB 4.46Å; M139-R144 HydrophobicContact CB-CG 3.88Å; M139-R144 PolarHBondContact O-NE 3.49Å; M139-R144 PolarHBondContact O-NH2 2.7Å; M139-R144 VanDerWaalsContact O-NH2 3.14Å; M139-V147 HydrophobicContact CE-CG2 4.17Å; M139-V147 HydrophobicContact SD-CG2 3.76Å
140T92.5Very high91.9Very high83 Ų8368 Ų6851%0.50934%0.339SS..  trans-60.5157.2169.273.20000110.9D142 D143 R144T140-D142 VanDerWaalsContact C-N 3.27Å; T140-D142 PolarHBondContact O-N 3.29Å; T140-D143 PolarHBondContact O-N 2.76Å; T140-D143 WeakPolarHBondContact OG1-CB 3.5Å; T140-D143 PolarHBondContact OG1-N 2.87Å; T140-D143 PolarHBondContact OG1-OD2 2.74Å; T140-R144 WeakPolarHBondContact O-CG 3.48Å; T140-R144 PolarHBondContact O-N 3.27Å
141L91.5Very high91.7Very high68 Ų6868.9 Ų68.936%0.35635%0.347SS..Hα-helixtrans-58.4-39.1-178.8-67.3176.1000112.6L145 H187 A189L141-L145 PolarHBondContact O-N 3.45Å; L141-L145 VanDerWaalsContact O-N 3.15Å; L141-H187 WeakPolarHBondContact CD2-O 3.38Å; L141-A189 HydrophobicContact CB-CB 4.14Å
142D89.6Confident91.5Very high58 Ų5874.7 Ų74.731%0.3137%0.368SS..Hα-helixtrans-71.1-37.1178.5-70.8-25.6000111.8T140 L145 K146 S190T140-D142 VanDerWaalsContact C-N 3.27Å; T140-D142 PolarHBondContact O-N 3.29Å; D142-L145 PolarHBondContact O-N 2.89Å; D142-K146 WeakPolarHBondContact O-CG 3.45Å; D142-K146 PolarHBondContact O-N 2.76Å; D142-S190 PolarHBondContact OD1-N 2.95Å
143D92.2Very high91.5Very high57 Ų5768.4 Ų68.431%0.30534%0.339SS..Hα-helixtrans-70.2-35.9176.1-65.2-34.8000112.3M139 T140 L145 K146 V147M139-D143 HydrophobicContact CB-CB 4.14Å; M139-D143 HydrophobicContact CG-CB 4.46Å; T140-D143 PolarHBondContact O-N 2.76Å; T140-D143 WeakPolarHBondContact OG1-CB 3.5Å; T140-D143 PolarHBondContact OG1-N 2.87Å; T140-D143 PolarHBondContact OG1-OD2 2.74Å; D143-L145 VanDerWaalsContact C-N 3.27Å; D143-L145 PolarHBondContact O-N 3.47Å; D143-K146 WeakPolarHBondContact O-CB 3.36Å; D143-K146 PolarHBondContact O-N 3.34Å; D143-K146 IonicContact OD1-NZ 2.72Å; D143-K146 PolarHBondContact OD1-NZ 3.29Å; D143-V147 WeakPolarHBondContact O-CG2 3.33Å; D143-V147 PolarHBondContact O-N 2.87Å
144R94.5Very high91.4Very high34 Ų3468.2 Ų68.213%0.12834%0.338CS..Hα-helixtrans-58.1-43.2169.9-69.9176.8-156.9-169.6-0.2111.4F136 N137 M139 T140 V147 A148 L185 L186F136-R144 HydrophobicContact CD2-CB 4.42Å; F136-R144 HydrophobicContact CD2-CG 4.2Å; F136-R144 HydrophobicContact CE1-CB 4.35Å; F136-R144 HydrophobicContact CE1-CG 4.25Å; F136-R144 HydrophobicContact CE2-CB 3.7Å; F136-R144 HydrophobicContact CE2-CG 3.94Å; F136-R144 WeakPolarHBondContact CE2-O 3.36Å; F136-R144 HydrophobicContact CZ-CB 3.65Å; F136-R144 HydrophobicContact CZ-CG 3.96Å; F136-R144 VanDerWaalsContact O-CG 3.26Å; F136-R144 WeakPolarHBondContact O-CG 3.5Å; F136-R144 PolarHBondContact O-NE 2.89Å; N137-R144 PolarHBondContact O-NH2 3.12Å; N137-R144 PolarHBondContact OD1-NH1 2.88Å; M139-R144 HydrophobicContact CB-CG 3.88Å; M139-R144 PolarHBondContact O-NE 3.49Å; M139-R144 PolarHBondContact O-NH2 2.7Å; M139-R144 VanDerWaalsContact O-NH2 3.14Å; T140-R144 WeakPolarHBondContact O-CG 3.48Å; T140-R144 PolarHBondContact O-N 3.27Å; R144-V147 PolarHBondContact O-N 2.89Å; R144-A148 WeakPolarHBondContact O-CB 3.3Å; R144-A148 PolarHBondContact O-N 3.13Å; R144-L185 WeakPolarHBondContact CD-O 3.35Å; R144-L185 PolarHBondContact NH1-O 3.1Å; R144-L185 VanDerWaalsContact NH1-O 3.15Å; R144-L186 HydrophobicContact CB-CD2 3.8Å
145L93Very high91.3Very high4 Ų462.5 Ų62.52%0.02131%0.31CS..Hα-helixtrans-66.5-40177.5-174.564.5000111.5L141 D142 D143 A148 R149 F155 L186 A189 F191L141-L145 PolarHBondContact O-N 3.45Å; L141-L145 VanDerWaalsContact O-N 3.15Å; D142-L145 PolarHBondContact O-N 2.89Å; D143-L145 VanDerWaalsContact C-N 3.27Å; D143-L145 PolarHBondContact O-N 3.47Å; L145-A148 PolarHBondContact O-N 3.21Å; L145-R149 WeakPolarHBondContact O-CB 3.42Å; L145-R149 WeakPolarHBondContact O-CG 3.46Å; L145-R149 PolarHBondContact O-N 3.26Å; L145-F155 HydrophobicContact CD1-CD1 4.32Å; L145-F155 HydrophobicContact CD1-CE1 4.17Å; L145-L186 HydrophobicContact CB-CD2 4.47Å; L145-L186 HydrophobicContact CD1-CD1 4.29Å; L145-A189 HydrophobicContact CB-CB 4.14Å; L145-A189 HydrophobicContact CD2-CB 4.2Å; L145-F191 HydrophobicContact CD1-CD1 3.76Å; L145-F191 HydrophobicContact CD1-CE1 3.45Å; L145-F191 VanDerWaalsContact CD1-CE1 3.45Å; L145-F191 HydrophobicContact CD1-CZ 4.14Å; L145-F191 HydrophobicContact CD2-CD1 4.06Å; L145-F191 HydrophobicContact CD2-CE1 4.43Å; L145-F191 HydrophobicContact CD2-CG 4.27Å
146K92.6Very high91.3Very high106 Ų10658.4 Ų58.446%0.46129%0.292SS..Hα-helixtrans-60.6-45.7173.2-70.7174-163.2157.80111.7D142 D143 R149 K150D142-K146 WeakPolarHBondContact O-CG 3.45Å; D142-K146 PolarHBondContact O-N 2.76Å; D143-K146 WeakPolarHBondContact O-CB 3.36Å; D143-K146 PolarHBondContact O-N 3.34Å; D143-K146 IonicContact OD1-NZ 2.72Å; D143-K146 PolarHBondContact OD1-NZ 3.29Å; K146-R149 PolarHBondContact O-N 3.44Å; K146-K150 VanDerWaalsContact O-CB 3.27Å; K146-K150 WeakPolarHBondContact O-CB 3.3Å; K146-K150 PolarHBondContact O-N 3.37Å
147V92.5Very high91.1Very high27 Ų2759.3 Ų59.316%0.16430%0.298CS..Hα-helixtrans-62.5-47.4176.7170.50000110.7A122 A123 L130 F136 M139 D143 R144 R149 K150 A151A122-V147 HydrophobicContact CB-CG1 4.15Å; A123-V147 HydrophobicContact CB-CG1 4.26Å; L130-V147 HydrophobicContact CD1-CG1 4.25Å; F136-V147 HydrophobicContact CD2-CB 4.26Å; F136-V147 HydrophobicContact CD2-CG1 4Å; F136-V147 HydrophobicContact CE2-CB 4.02Å; F136-V147 HydrophobicContact CE2-CG1 4Å; M139-V147 HydrophobicContact CE-CG2 4.17Å; M139-V147 HydrophobicContact SD-CG2 3.76Å; D143-V147 WeakPolarHBondContact O-CG2 3.33Å; D143-V147 PolarHBondContact O-N 2.87Å; R144-V147 PolarHBondContact O-N 2.89Å; V147-R149 VanDerWaalsContact C-N 3.32Å; V147-R149 PolarHBondContact O-N 2.89Å; V147-K150 PolarHBondContact O-N 2.86Å; V147-A151 VanDerWaalsContact O-CB 3.22Å; V147-A151 WeakPolarHBondContact O-CB 3.35Å; V147-A151 PolarHBondContact O-N 3.46Å
148A92Very high91.1Very high0 Ų055.4 Ų55.40%028%0.277CS..Hα-helixtrans-60.8-40177.400000112.3R144 L145 K152 C153 F155 L158 L186R144-A148 WeakPolarHBondContact O-CB 3.3Å; R144-A148 PolarHBondContact O-N 3.13Å; L145-A148 PolarHBondContact O-N 3.21Å; A148-K152 PolarHBondContact O-N 3.18Å; A148-C153 HydrophobicContact CB-CB 4.31Å; A148-C153 PolarHBondContact O-N 3.18Å; A148-F155 HydrophobicContact CB-CD1 4.06Å; A148-F155 HydrophobicContact CB-CE1 3.95Å; A148-L158 HydrophobicContact CB-CD2 4.12Å; A148-L186 HydrophobicContact CB-CD1 4.4Å
149R90.4Very high90.8Very high102 Ų10253.8 Ų53.839%0.38527%0.266SS..Hα-helixtrans-64.4-51.9174.3-81.7175.7-179.5176.10.7111.9L145 K146 V147 A151 K152 F155 F191L145-R149 WeakPolarHBondContact O-CB 3.42Å; L145-R149 WeakPolarHBondContact O-CG 3.46Å; L145-R149 PolarHBondContact O-N 3.26Å; K146-R149 PolarHBondContact O-N 3.44Å; V147-R149 VanDerWaalsContact C-N 3.32Å; V147-R149 PolarHBondContact O-N 2.89Å; R149-A151 PolarHBondContact O-N 3.36Å; R149-K152 PolarHBondContact O-N 3.02Å; R149-F155 HydrophobicContact CG-CE1 4Å; R149-F155 HydrophobicContact CG-CZ 3.63Å; R149-F191 PolarHBondContact NH2-O 3.48Å
150K89.2Confident90.4Very high193 Ų19356 Ų5684%0.83928%0.282SS*.Hα-helixtrans-58.8-38.8-179.1-174.5176.9-178.2177.30111.5K146 V147 K152K146-K150 VanDerWaalsContact O-CB 3.27Å; K146-K150 WeakPolarHBondContact O-CB 3.3Å; K146-K150 PolarHBondContact O-N 3.37Å; V147-K150 PolarHBondContact O-N 2.86Å; K150-K152 VanDerWaalsContact C-N 3.31Å; K150-K152 PolarHBondContact O-N 3.24Å
151A86.8Confident89.7Confident27 Ų2755.6 Ų55.622%0.22329%0.294CS..THydrogen-bonded Turntrans-82.9-2.9178.900000114.5A122 V147 R149 C153A122-A151 HydrophobicContact CB-CB 3.37Å; V147-A151 VanDerWaalsContact O-CB 3.22Å; V147-A151 WeakPolarHBondContact O-CB 3.35Å; V147-A151 PolarHBondContact O-N 3.46Å; R149-A151 PolarHBondContact O-N 3.36Å; A151-C153 PolarHBondContact O-N 3.24Å
152K87.3Confident89.3Confident174 Ų17455 Ų5576%0.75729%0.289SS*.THydrogen-bonded Turntrans51.438.6-173.2-57.2-177-179.7178.30112.6A148 R149 K150A148-K152 PolarHBondContact O-N 3.18Å; R149-K152 PolarHBondContact O-N 3.02Å; K150-K152 VanDerWaalsContact C-N 3.31Å; K150-K152 PolarHBondContact O-N 3.24Å
153C88.7Confident89.1Confident7 Ų758.9 Ų58.95%0.04731%0.306CS..BIsolated β-bridgetrans-71143.9173.3-70.80000110.5A148 A151 F155 L158 S159A148-C153 HydrophobicContact CB-CB 4.31Å; A148-C153 PolarHBondContact O-N 3.18Å; A151-C153 PolarHBondContact O-N 3.24Å; C153-F155 PolarHBondContact O-N 3.02Å; C153-L158 PolarHBondContact SG-O 2.97Å; C153-S159 WeakPolarHBondContact CA-O 3.23Å
154C90Very high88.8Confident0 Ų058 Ų580%030%0.304CS..  trans-60.3125165.8173.60000109.5V156 L158 S159 H162 C167C154-V156 PolarHBondContact O-N 3.37Å; C154-V156 VanDerWaalsContact O-N 3.16Å; C154-V156 PolarHBondContact SG-N 2.99Å; C154-V156 VanDerWaalsContact SG-N 3.42Å; C154-L158 WeakPolarHBondContact O-CA 3.31Å; C154-L158 PolarHBondContact O-N 2.95Å; C154-S159 PolarHBondContact N-O 3.32Å; C154-H162 VanDerWaalsContact CB-NE2 3.33Å; C154-H162 WeakPolarHBondContact CB-NE2 3.49Å; C154-H162 WeakPolarHBondContact CB-O 3.36Å; C154-H162 PolarHBondContact N-O 2.83Å; C154-H162 PolarHBondContact SG-NE2 3.34Å; C154-C167 VanDerWaalsContact SG-CB 3.59Å
155F92.1Very high88.2Confident52 Ų5267.7 Ų67.723%0.22834%0.34CS..THydrogen-bonded Turntrans-69.6-13.6-178.9-56.8-42.8000113.3L145 A148 R149 C153 S164 H182 H183 L186 F191L145-F155 HydrophobicContact CD1-CD1 4.32Å; L145-F155 HydrophobicContact CD1-CE1 4.17Å; A148-F155 HydrophobicContact CB-CD1 4.06Å; A148-F155 HydrophobicContact CB-CE1 3.95Å; R149-F155 HydrophobicContact CG-CE1 4Å; R149-F155 HydrophobicContact CG-CZ 3.63Å; C153-F155 PolarHBondContact O-N 3.02Å; F155-S164 PolarHBondContact N-OG 3Å; F155-S164 VanDerWaalsContact N-OG 3.14Å; F155-H182 CarbonylContact O-C 3.57Å; F155-H182 VanDerWaalsContact O-CA 3.24Å; F155-H182 WeakPolarHBondContact O-CA 3.37Å; F155-H183 PolarHBondContact O-N 3.41Å; F155-L186 HydrophobicContact CB-CD1 4.05Å; F155-L186 HydrophobicContact CD1-CD1 3.96Å; F155-L186 HydrophobicContact CG-CD1 4.36Å; F155-F191 HydrophobicContact CB-CE1 4.48Å; F155-F191 HydrophobicContact CD2-CE1 4.29Å; F155-F191 HydrophobicContact CG-CE1 4.32Å
156V91.6Very high87.8Confident10 Ų1072 Ų726%0.06137%0.367CS..THydrogen-bonded Turntrans-83.6-45.1179.2-176.10000111.9C154 V169 K181 H183C154-V156 PolarHBondContact O-N 3.37Å; C154-V156 VanDerWaalsContact O-N 3.16Å; C154-V156 PolarHBondContact SG-N 2.99Å; C154-V156 VanDerWaalsContact SG-N 3.42Å; V156-V169 HydrophobicContact CG1-CB 4.23Å; V156-V169 HydrophobicContact CG1-CG1 4.16Å; V156-K181 HydrophobicContact CG2-CB 4.11Å; V156-H183 WeakPolarHBondContact O-CA 3.38Å; V156-H183 WeakPolarHBondContact O-CB 3.28Å
157C90.3Very high87.5Confident20 Ų2067.8 Ų67.814%0.13535%0.351CS..THydrogen-bonded Turntrans-114.4-5.7-176.471.20000114.7S159 H162 V169C157-S159 PolarHBondContact O-N 2.92Å; C157-S159 VanDerWaalsContact O-N 3.14Å; C157-S159 VanDerWaalsContact SG-CB 3.53Å; C157-S159 PolarHBondContact SG-N 2.94Å; C157-S159 PolarHBondContact SG-OG 3.41Å; C157-H162 PolarHBondContact SG-CE1 2.99Å; C157-H162 PolarHBondContact SG-NE2 3.07Å; C157-H162 VanDerWaalsContact SG-NE2 3.37Å; C157-V169 HydrophobicContact CB-CG2 4.16Å
158L90.7Very high87Confident4 Ų474 Ų742%0.02138%0.383CS..  trans58.813-174.3-63.3178000115.6L130 T131 F136 A148 C153 C154 H183 L185 L186L130-L158 HydrophobicContact CD2-CB 4.49Å; T131-L158 HydrophobicContact CG2-CB 3.85Å; T131-L158 HydrophobicContact CG2-CD1 4.15Å; F136-L158 HydrophobicContact CE1-CD1 3.75Å; F136-L158 HydrophobicContact CZ-CD1 4.19Å; A148-L158 HydrophobicContact CB-CD2 4.12Å; C153-L158 PolarHBondContact SG-O 2.97Å; C154-L158 WeakPolarHBondContact O-CA 3.31Å; C154-L158 PolarHBondContact O-N 2.95Å; L158-H183 HydrophobicContact CD1-CB 3.91Å; L158-H183 WeakPolarHBondContact CD1-ND1 3.32Å; L158-H183 HydrophobicContact CD2-CB 4.41Å; L158-H183 HydrophobicContact CG-CB 3.7Å; L158-L185 HydrophobicContact CD1-CB 4.13Å; L158-L185 HydrophobicContact CD1-CD1 4.05Å; L158-L186 HydrophobicContact CD2-CD1 3.67Å; L158-L186 HydrophobicContact CD2-CG 4.04Å
159S86.5Confident86.6Confident60 Ų6077.1 Ų77.142%0.4240%0.402SS..  trans-81.3145.4172.9-44.40000111.2C153 C154 C157C153-S159 WeakPolarHBondContact CA-O 3.23Å; C154-S159 PolarHBondContact N-O 3.32Å; C157-S159 PolarHBondContact O-N 2.92Å; C157-S159 VanDerWaalsContact O-N 3.14Å; C157-S159 VanDerWaalsContact SG-CB 3.53Å; C157-S159 PolarHBondContact SG-N 2.94Å; C157-S159 PolarHBondContact SG-OG 3.41Å
160V84.7Confident85.7Confident91 Ų9180.6 Ų80.655%0.55242%0.423SS*.BIsolated β-bridgetrans-78.7150.5172-175.30000109.4
161G76.9Confident84.8Confident74 Ų7479.3 Ų79.376%0.76342%0.417SS*.SBendtrans109.1-6169.900000115.9
162H84.4Confident84.5Confident55 Ų5581.1 Ų81.126%0.25543%0.428SS..SBendtrans-151.4163.8172.467.3-81.6000111.4C154 C157 C167C154-H162 VanDerWaalsContact CB-NE2 3.33Å; C154-H162 WeakPolarHBondContact CB-NE2 3.49Å; C154-H162 WeakPolarHBondContact CB-O 3.36Å; C154-H162 PolarHBondContact N-O 2.83Å; C154-H162 PolarHBondContact SG-NE2 3.34Å; C157-H162 PolarHBondContact SG-CE1 2.99Å; C157-H162 PolarHBondContact SG-NE2 3.07Å; C157-H162 VanDerWaalsContact SG-NE2 3.37Å; H162-C167 PolarHBondContact NE2-SG 3.28Å
163Q84.5Confident84.5Confident140 Ų14073 Ų7365%0.65439%0.393SS*.  trans-99.2161.5177.2-63.7-177.25.500110.7R165 T166 C167Q163-R165 PolarHBondContact O-N 2.85Å; Q163-T166 PolarHBondContact N-OG1 3.28Å; Q163-T166 PolarHBondContact O-N 2.87Å; Q163-T166 PolarHBondContact O-OG1 3.28Å; Q163-C167 PolarHBondContact O-N 3.32Å
164S85.4Confident84.3Confident39 Ų3977.5 Ų77.527%0.27342%0.422SS..G310 helixtrans-53.4-27.5178.7-560000114.4F155F155-S164 PolarHBondContact N-OG 3Å; F155-S164 VanDerWaalsContact N-OG 3.14Å
165R83.3Confident84.2Confident236 Ų23680.9 Ų80.989%0.89144%0.44SS*.G310 helixtrans-73.6-27.6178.4-67-177.9177.1-179.8-1.2113.7Q163Q163-R165 PolarHBondContact O-N 2.85Å
166T83.6Confident83.9Confident94 Ų9484.4 Ų84.458%0.57747%0.47SS*.G310 helixtrans-107.611.8-179.9560000112Q163 N168Q163-T166 PolarHBondContact N-OG1 3.28Å; Q163-T166 PolarHBondContact O-N 2.87Å; Q163-T166 PolarHBondContact O-OG1 3.28Å; T166-N168 PolarHBondContact O-N 2.79Å
167C85.7Confident83.6Confident18 Ų1888 Ų8812%0.12251%0.509CS..  trans-77121.9178.9-169.20000110.5C154 H162 Q163 V169C154-C167 VanDerWaalsContact SG-CB 3.59Å; H162-C167 PolarHBondContact NE2-SG 3.28Å; Q163-C167 PolarHBondContact O-N 3.32Å; C167-V169 PolarHBondContact O-N 2.8Å; C167-V169 VanDerWaalsContact SG-CB 3.58Å; C167-V169 PolarHBondContact SG-N 2.88Å
168N83.6Confident83.5Confident158 Ų15888.2 Ų88.285%0.84551%0.511SS*.SBendtrans-69.8-11.4174.6-67.2-16.8000112.9T166 Q170T166-N168 PolarHBondContact O-N 2.79Å; N168-Q170 PolarHBondContact O-N 2.95Å; N168-Q170 VanDerWaalsContact O-N 3.17Å
169V83Confident83.1Confident66 Ų6693.6 Ų93.640%0.455%0.549SS..  trans-76.2103.5173.9-176.80000108.6V156 C157 C167 K171V156-V169 HydrophobicContact CG1-CB 4.23Å; V156-V169 HydrophobicContact CG1-CG1 4.16Å; C157-V169 HydrophobicContact CB-CG2 4.16Å; C167-V169 PolarHBondContact O-N 2.8Å; C167-V169 VanDerWaalsContact SG-CB 3.58Å; C167-V169 PolarHBondContact SG-N 2.88Å; V169-K171 HydrophobicContact CG1-CB 4Å; V169-K171 HydrophobicContact CG1-CG 4.16Å; V169-K171 PolarHBondContact O-N 3.44Å
170Q71Confident83Confident174 Ų17498 Ų9881%0.81356%0.556SS**  trans-79.87.8179.6-62.5-156.82.200114.5N168N168-Q170 PolarHBondContact O-N 2.95Å; N168-Q170 VanDerWaalsContact O-N 3.17Å
171K70.8Confident83.1Confident167 Ų167100.2 Ų100.273%0.72656%0.559SS**PPolyproline II helixtrans-79128.6-176.2-62.1-175.9179.1-178.10111.3V169V169-K171 HydrophobicContact CG1-CB 4Å; V169-K171 HydrophobicContact CG1-CG 4.16Å; V169-K171 PolarHBondContact O-N 3.44Å
172S79.9Confident83.8Confident64 Ų6497 Ų9745%0.44852%0.524SS..PPolyproline II helixtrans-74.4173.4163.451.50000110.7
173C88Confident84.1Confident5 Ų596.2 Ų96.23%0.03452%0.52CS..PPolyproline II helixtrans-54.3130.1173.5-1750000110.4I175 C178 R180 H182 H187C173-I175 PolarHBondContact O-N 3.24Å; C173-C178 HydrophobicContact CB-CB 3.87Å; C173-R180 PolarHBondContact N-O 3.5Å; C173-H182 WeakPolarHBondContact CA-O 3.42Å; C173-H182 WeakPolarHBondContact CB-NE2 3.39Å; C173-H182 PolarHBondContact SG-NE2 3.27Å; C173-H187 PolarHBondContact SG-ND1 3.23Å
174P84.4Confident84.4Confident100 Ų10097.4 Ų97.465%0.64952%0.519SS*.SBendtrans-77.3-0.7-175.531.1-36.6000114.5R184P174-R184 HydrophobicContact CG-CB 3.86Å
175I87.4Confident84.8Confident72 Ų7296.4 Ų96.437%0.36951%0.51SS..SBendtrans-83.9127.8-179.1-67.2165.1000109.3C173 G177 C178 H187C173-I175 PolarHBondContact O-N 3.24Å; I175-G177 PolarHBondContact O-N 3.4Å; I175-C178 VanDerWaalsContact O-CB 3.26Å; I175-C178 WeakPolarHBondContact O-CB 3.16Å; I175-C178 PolarHBondContact O-N 2.76Å; I175-C178 VanDerWaalsContact O-N 3.11Å; I175-H187 HydrophobicContact CD1-CB 3.6Å
176S86Confident85.2Confident125 Ų12585.1 Ų85.187%0.87447%0.467SS*.THydrogen-bonded Turntrans-53.5134.9179.4-169.80000111.5
177G85Confident85.6Confident85 Ų8583.4 Ų83.488%0.87645%0.453SS*.THydrogen-bonded Turntrans86.6-3.4-175.700000115.4I175I175-G177 PolarHBondContact O-N 3.4Å
178C88.1Confident85.7Confident26 Ų2685.1 Ų85.118%0.17647%0.473CS..  trans-100109.4179.4-159.20000113.3C173 I175 H182 H187C173-C178 HydrophobicContact CB-CB 3.87Å; I175-C178 VanDerWaalsContact O-CB 3.26Å; I175-C178 WeakPolarHBondContact O-CB 3.16Å; I175-C178 PolarHBondContact O-N 2.76Å; I175-C178 VanDerWaalsContact O-N 3.11Å; C178-H182 PolarHBondContact SG-CE1 2.74Å; C178-H187 VanDerWaalsContact SG-CE1 3.54Å; C178-H187 PolarHBondContact SG-ND1 2.68Å; C178-H187 VanDerWaalsContact SG-ND1 3.36Å
179S82.1Confident85.9Confident116 Ų11677.8 Ų77.881%0.81143%0.434SS*.  trans-87.8-0.6176.8600000114.7
180R84.6Confident85.9Confident152 Ų15277.8 Ų77.857%0.57444%0.437SS*.SBendtrans-87.6149.6-174-65.4-176.3-177.4171.23.4112.4C173 H182C173-R180 PolarHBondContact N-O 3.5Å; R180-H182 WeakPolarHBondContact CB-ND1 3.44Å; R180-H182 PolarHBondContact O-N 2.78Å
181K87.7Confident86.4Confident139 Ų13972.1 Ų72.160%0.60441%0.41SS*.  trans-89.392.5175.1-69.5-170.6178.3-175.50110.9V156V156-K181 HydrophobicContact CG2-CB 4.11Å
182H90.6Very high86.2Confident7 Ų775.4 Ų75.43%0.03242%0.418CS..SBendtrans-153.2159.1172.956.4-106.7000110.9F155 C173 C178 R180 H187 F191F155-H182 CarbonylContact O-C 3.57Å; F155-H182 VanDerWaalsContact O-CA 3.24Å; F155-H182 WeakPolarHBondContact O-CA 3.37Å; C173-H182 WeakPolarHBondContact CA-O 3.42Å; C173-H182 WeakPolarHBondContact CB-NE2 3.39Å; C173-H182 PolarHBondContact SG-NE2 3.27Å; C178-H182 PolarHBondContact SG-CE1 2.74Å; R180-H182 WeakPolarHBondContact CB-ND1 3.44Å; R180-H182 PolarHBondContact O-N 2.78Å; H182-H187 WeakPolarHBondContact NE2-CA 3.24Å; H182-H187 AromaticContact NE2-CG 3.83Å; H182-H187 AromaticContact NE2-ND1 3.49Å; H182-H187 PolarHBondContact NE2-ND1 3.4Å; H182-F191 HydrophobicContact CB-CE2 4.49Å; H182-F191 HydrophobicContact CB-CZ 3.85Å
183H91.4Very high84.9Confident37 Ų3777.1 Ų77.117%0.17142%0.419CS..  trans-68144.3175.4-167.8-94.7000110.2F155 V156 L158 L185 L186F155-H183 PolarHBondContact O-N 3.41Å; V156-H183 WeakPolarHBondContact O-CA 3.38Å; V156-H183 WeakPolarHBondContact O-CB 3.28Å; L158-H183 HydrophobicContact CD1-CB 3.91Å; L158-H183 WeakPolarHBondContact CD1-ND1 3.32Å; L158-H183 HydrophobicContact CD2-CB 4.41Å; L158-H183 HydrophobicContact CG-CB 3.7Å; H183-L185 PolarHBondContact ND1-N 3.46Å; H183-L185 PolarHBondContact O-N 2.57Å; H183-L186 PolarHBondContact O-N 3.43Å
184R91.8Very high82.7Confident166 Ų16684.6 Ų84.663%0.62646%0.458SS*.G310 helixtrans-50.7-33.1-178.869.2179.7-178.6-179.10.2114.2P174 L186 H187P174-R184 HydrophobicContact CG-CB 3.86Å; R184-L186 PolarHBondContact O-N 3.05Å; R184-H187 VanDerWaalsContact O-CB 3.31Å; R184-H187 WeakPolarHBondContact O-CB 3.3Å; R184-H187 PolarHBondContact O-N 3.13Å; R184-H187 VanDerWaalsContact O-N 3.14Å
185L92.6Very high80.5Confident17 Ų1786.5 Ų86.59%0.08947%0.468CS..G310 helixtrans-69.7-15.6179.8-64.7176.1000114F136 N137 R144 L158 H183F136-L185 HydrophobicContact CD1-CD1 4.23Å; F136-L185 HydrophobicContact CE1-CB 4.19Å; F136-L185 HydrophobicContact CE1-CD1 4.11Å; N137-L185 WeakPolarHBondContact OD1-CD2 3.27Å; R144-L185 WeakPolarHBondContact CD-O 3.35Å; R144-L185 PolarHBondContact NH1-O 3.1Å; R144-L185 VanDerWaalsContact NH1-O 3.15Å; L158-L185 HydrophobicContact CD1-CB 4.13Å; L158-L185 HydrophobicContact CD1-CD1 4.05Å; H183-L185 PolarHBondContact ND1-N 3.46Å; H183-L185 PolarHBondContact O-N 2.57Å
186L92.9Very high78.2Confident0 Ų089.7 Ų89.70%049%0.486CS..G310 helixtrans-104.52174.5-62-177.3000112.6F136 R144 L145 A148 F155 L158 H183 R184 G188 A189 F191F136-L186 HydrophobicContact CZ-CD2 4.23Å; R144-L186 HydrophobicContact CB-CD2 3.8Å; L145-L186 HydrophobicContact CB-CD2 4.47Å; L145-L186 HydrophobicContact CD1-CD1 4.29Å; A148-L186 HydrophobicContact CB-CD1 4.4Å; F155-L186 HydrophobicContact CB-CD1 4.05Å; F155-L186 HydrophobicContact CD1-CD1 3.96Å; F155-L186 HydrophobicContact CG-CD1 4.36Å; L158-L186 HydrophobicContact CD2-CD1 3.67Å; L158-L186 HydrophobicContact CD2-CG 4.04Å; H183-L186 PolarHBondContact O-N 3.43Å; R184-L186 PolarHBondContact O-N 3.05Å; L186-G188 PolarHBondContact O-N 3.45Å; L186-A189 VanDerWaalsContact O-CB 3.3Å; L186-A189 WeakPolarHBondContact O-CB 3.03Å; L186-A189 PolarHBondContact O-N 2.85Å; L186-A189 VanDerWaalsContact O-N 3.16Å; L186-F191 HydrophobicContact CB-CZ 4.22Å
187H91.6Very high75.7Confident58 Ų5889.3 Ų89.327%0.26948%0.483SS..THydrogen-bonded Turntrans-63.4133.5178-179.698.7000110.5L141 C173 I175 C178 H182 R184 A189L141-H187 WeakPolarHBondContact CD2-O 3.38Å; C173-H187 PolarHBondContact SG-ND1 3.23Å; I175-H187 HydrophobicContact CD1-CB 3.6Å; C178-H187 VanDerWaalsContact SG-CE1 3.54Å; C178-H187 PolarHBondContact SG-ND1 2.68Å; C178-H187 VanDerWaalsContact SG-ND1 3.36Å; H182-H187 WeakPolarHBondContact NE2-CA 3.24Å; H182-H187 AromaticContact NE2-CG 3.83Å; H182-H187 AromaticContact NE2-ND1 3.49Å; H182-H187 PolarHBondContact NE2-ND1 3.4Å; R184-H187 VanDerWaalsContact O-CB 3.31Å; R184-H187 WeakPolarHBondContact O-CB 3.3Å; R184-H187 PolarHBondContact O-N 3.13Å; R184-H187 VanDerWaalsContact O-N 3.14Å; H187-A189 VanDerWaalsContact C-N 3.32Å
188G86.8Confident73.5Confident53 Ų5391.7 Ų91.755%0.54648%0.481SS..THydrogen-bonded Turntrans86.6-10.6-175.600000114.8L186L186-G188 PolarHBondContact O-N 3.45Å
189A87.8Confident71.1Confident4 Ų498.7 Ų98.73%0.03351%0.511CS..  trans-67.5141.7176.600000111.8L141 L145 L186 H187 F191L141-A189 HydrophobicContact CB-CB 4.14Å; L145-A189 HydrophobicContact CB-CB 4.14Å; L145-A189 HydrophobicContact CD2-CB 4.2Å; L186-A189 VanDerWaalsContact O-CB 3.3Å; L186-A189 WeakPolarHBondContact O-CB 3.03Å; L186-A189 PolarHBondContact O-N 2.85Å; L186-A189 VanDerWaalsContact O-N 3.16Å; H187-A189 VanDerWaalsContact C-N 3.32Å; A189-F191 HydrophobicContact CB-CE2 4.44Å; A189-F191 WeakPolarHBondContact O-CD2 3.45Å; A189-F191 PolarHBondContact O-N 3.17Å
190S84.4Confident68.8Low66 Ų6699.4 Ų99.446%0.46251%0.513SS..  trans-80.990.5179.7-73.70000110.9D142 R192D142-S190 PolarHBondContact OD1-N 2.95Å; S190-R192 PolarHBondContact O-N 2.92Å; S190-R192 VanDerWaalsContact O-N 3.11Å
191F81Confident66.4Low55 Ų5598.8 Ų98.824%0.24152%0.52CS..  trans-62.5-17.5177.3-68.7-91.8000113.9L145 R149 F155 H182 L186 A189L145-F191 HydrophobicContact CD1-CD1 3.76Å; L145-F191 HydrophobicContact CD1-CE1 3.45Å; L145-F191 VanDerWaalsContact CD1-CE1 3.45Å; L145-F191 HydrophobicContact CD1-CZ 4.14Å; L145-F191 HydrophobicContact CD2-CD1 4.06Å; L145-F191 HydrophobicContact CD2-CE1 4.43Å; L145-F191 HydrophobicContact CD2-CG 4.27Å; R149-F191 PolarHBondContact NH2-O 3.48Å; F155-F191 HydrophobicContact CB-CE1 4.48Å; F155-F191 HydrophobicContact CD2-CE1 4.29Å; F155-F191 HydrophobicContact CG-CE1 4.32Å; H182-F191 HydrophobicContact CB-CE2 4.49Å; H182-F191 HydrophobicContact CB-CZ 3.85Å; L186-F191 HydrophobicContact CB-CZ 4.22Å; A189-F191 HydrophobicContact CB-CE2 4.44Å; A189-F191 WeakPolarHBondContact O-CD2 3.45Å; A189-F191 PolarHBondContact O-N 3.17Å
192R66.7Low64.1Low237 Ų23795.2 Ų95.289%0.89451%0.512SS*.  trans-100.997.5175-66.8-176.7176.8179.7-2.1109.4S190S190-R192 PolarHBondContact O-N 2.92Å; S190-R192 VanDerWaalsContact O-N 3.11Å
193Q52.4Low61.7Low100 Ų100105.4 Ų105.447%0.46755%0.55SS.*  trans-116.4124157.5-81.9-178.5-1300106.6V195Q193-V195 PolarHBondContact O-N 2.71Å
194N41Very low59.2Low161 Ų161111.6 Ų111.686%0.86158%0.579SS**  trans-56.8127.5165.3-81.2-24.9000107D196N194-D196 PolarHBondContact O-N 3.46Å
195V38.7Very low56.6Low140 Ų140111 Ų11185%0.84858%0.584SS**  trans-72.390173.8-176.70000106Q193Q193-V195 PolarHBondContact O-N 2.71Å
196D40Very low53.8Low139 Ų139117.7 Ų117.774%0.74361%0.614SS**  trans-76.8128163.3-109.1-23.6000108.6N194 T198N194-D196 PolarHBondContact O-N 3.46Å; D196-T198 PolarHBondContact O-N 3.04Å; D196-T198 VanDerWaalsContact O-N 3.15Å; D196-T198 PolarHBondContact O-OG1 3.16Å
197S33Very low51Low118 Ų118125 Ų12583%0.82565%0.648SS**  trans-41.1109.5-179.1-59.80000113.2
198T38.6Very low48.3Very low134 Ų134129.5 Ų129.582%0.82267%0.674SS**  trans-127.2103.2162.421.60000109.3D196D196-T198 PolarHBondContact O-N 3.04Å; D196-T198 VanDerWaalsContact O-N 3.15Å; D196-T198 PolarHBondContact O-OG1 3.16Å
199Q38.5Very low45.9Very low174 Ų174138.2 Ų138.281%0.81369%0.69SS**  trans31.3135.2155.5-63.8-172.6-8.700119.9I201Q199-I201 PolarHBondContact O-N 3.17Å
200P32.9Very low43.4Very low130 Ų130145.7 Ų145.784%0.84472%0.724SS**  trans-66106.6173.129.2-30.1000108.8S202P200-S202 PolarHBondContact O-N 2.88Å
201I34.3Very low41.2Very low140 Ų140144.6 Ų144.672%0.71872%0.724SS**  trans-60.8125.8163.9-64.2171000106.2Q199 R203Q199-I201 PolarHBondContact O-N 3.17Å; I201-R203 PolarHBondContact O-N 3.43Å
202S38.4Very low39.3Very low64 Ų64144.9 Ų144.945%0.44873%0.733SS.*  trans-48.6132.9-177.846.30000111.4P200 E204 Q205P200-S202 PolarHBondContact O-N 2.88Å; S202-E204 PolarHBondContact O-N 3.39Å; S202-Q205 PolarHBondContact O-N 2.93Å
203R41.1Very low38.2Very low221 Ų221137.2 Ų137.283%0.83471%0.706SS**G310 helixtrans-58.4-11.7-179-79.9-179.9166.1-179.3-5.1113.9I201 Q205I201-R203 PolarHBondContact O-N 3.43Å; R203-Q205 PolarHBondContact O-N 3.36Å
204E39.1Very low37.7Very low166 Ų166134.5 Ų134.578%0.77670%0.696SS**G310 helixtrans-79.8-9.9-176-72.9168.8141.300115S202S202-E204 PolarHBondContact O-N 3.39Å
205Q36.3Very low37.6Very low155 Ų155128 Ų12872%0.72466%0.662SS**G310 helixtrans-106.81.1177.6-70.4-175-7.100114.4S202 R203S202-Q205 PolarHBondContact O-N 2.93Å; R203-Q205 PolarHBondContact O-N 3.36Å
206Q35.1Very low37.5Very low156 Ų156124.2 Ų124.273%0.72964%0.635SS**SBendtrans-97-11.6-178.4-143.2165-0.800113.7
207E33.5Very low37.3Very low153 Ų153119.1 Ų119.172%0.71561%0.609SS**G310 helixtrans-86.3-4.9-177.8-66.9-173.1160.700114.7R209E207-R209 PolarHBondContact O-N 3.34Å
208L35.2Very low37.6Very low154 Ų154114.7 Ų114.781%0.80658%0.582SS**G310 helixtrans-89.412.3-176-80.5151.8000115
209R35.4Very low37.7Very low235 Ų235110.9 Ų110.989%0.88756%0.564SS**G310 helixtrans-134.118.1-177.6-70-168.9178.5-153.4-1.1115.9E207 G211E207-R209 PolarHBondContact O-N 3.34Å; R209-G211 PolarHBondContact O-N 3.28Å; R209-G211 VanDerWaalsContact O-N 3.17Å
210E34.9Very low38.1Very low161 Ų161105.1 Ų105.175%0.75254%0.541SS*.  trans-87.883.3175.1-68.8-175.817200110.7S212E210-S212 PolarHBondContact O-N 3.23Å
211G39.2Very low38.9Very low44 Ų44103 Ų10345%0.45452%0.522SS..  trans-74.6105.1177.600000111.7R209 K213 L408R209-G211 PolarHBondContact O-N 3.28Å; R209-G211 VanDerWaalsContact O-N 3.17Å; G211-K213 PolarHBondContact O-N 3.47Å; G211-L408 WeakPolarHBondContact O-CD1 3.46Å
212S41.5Very low39.8Very low61 Ų61100.3 Ų100.343%0.42752%0.515SS..  trans-53.3126.8167.3-97.10000111.7E210 V214 L405E210-S212 PolarHBondContact O-N 3.23Å; S212-V214 PolarHBondContact O-N 3.28Å; S212-L405 WeakPolarHBondContact OG-CD2 3.33Å
213K42.5Very low40.8Very low75 Ų75100.9 Ų100.933%0.32651%0.513SS..EExtended strand (participates in β ladder)trans-81.7108.9168.7-73.2-173.7173.4-1680108.5D114 G211 V215 S406D114-K213 VanDerWaalsContact OD1-CE 3.28Å; D114-K213 WeakPolarHBondContact OD1-CE 3.17Å; D114-K213 IonicContact OD1-NZ 3.7Å; D114-K213 PolarHBondContact OD1-NZ 2.96Å; G211-K213 PolarHBondContact O-N 3.47Å; K213-V215 PolarHBondContact O-N 2.99Å; K213-S406 PolarHBondContact O-N 2.61Å
214V41.7Very low41.7Very low43 Ų4397.5 Ų97.526%0.26150%0.5SS..EExtended strand (participates in β ladder)trans-78.7108.9167.9172.90000108.6S212 Q216 L276 I285 V403 L405S212-V214 PolarHBondContact O-N 3.28Å; V214-Q216 HydrophobicContact CG1-CG 4.49Å; V214-L276 HydrophobicContact CG2-CD1 4.19Å; V214-I285 HydrophobicContact CG2-CD1 4.37Å; V214-V403 HydrophobicContact CG1-CB 4.45Å; V214-V403 HydrophobicContact CG1-CG1 3.85Å; V214-V403 HydrophobicContact CG1-CG2 4.32Å; V214-V403 HydrophobicContact CG2-CG1 4.3Å; V214-L405 HydrophobicContact CG2-CD2 4.44Å
215V38.8Very low43.3Very low25 Ų2590 Ų9015%0.15247%0.466CS..EExtended strand (participates in β ladder)trans-83.7123.7166.8-176.20000107.4K213 V217 G404K213-V215 PolarHBondContact O-N 2.99Å; V215-V217 HydrophobicContact CG1-CG2 3.84Å; V215-G404 WeakPolarHBondContact CA-O 3.45Å; V215-G404 WeakPolarHBondContact CB-O 3.48Å; V215-G404 PolarHBondContact N-O 2.79Å; V215-G404 PolarHBondContact O-N 2.95Å
216Q37Very low45.4Very low60 Ų6085.4 Ų85.428%0.2845%0.446SS..EExtended strand (participates in β ladder)trans-89.9116165.7-75.1-142.3-46.100109.7V214 N315 K402V214-Q216 HydrophobicContact CG1-CG 4.49Å; Q216-N315 PolarHBondContact OE1-ND2 3.09Å; Q216-K402 CarbonylContact C-O 3.58Å; Q216-K402 VanDerWaalsContact CA-O 3.28Å; Q216-K402 WeakPolarHBondContact CA-O 3.49Å
217V35.9Very low47.9Very low33 Ų3378.3 Ų78.320%0.241%0.414CS..EExtended strand (participates in β ladder)trans-103.2105173.9-179.60000108.1V108 V215 V400 K402V108-V217 HydrophobicContact CG1-CG1 3.82Å; V215-V217 HydrophobicContact CG1-CG2 3.84Å; V217-V400 VanDerWaalsContact O-O 3.07Å; V217-K402 HydrophobicContact CB-CB 4.04Å; V217-K402 HydrophobicContact CB-CD 4.05Å; V217-K402 HydrophobicContact CB-CG 4.23Å; V217-K402 HydrophobicContact CG1-CD 4.46Å; V217-K402 HydrophobicContact CG2-CD 4.5Å; V217-K402 PolarHBondContact N-O 2.95Å; V217-K402 VanDerWaalsContact O-CB 3.32Å; V217-K402 WeakPolarHBondContact O-CB 3.3Å; V217-K402 PolarHBondContact O-N 3.24Å
218G40.6Very low50.6Low25 Ų2574.8 Ų74.826%0.25840%0.399SS..EExtended strand (participates in β ladder)trans-83.5112.7170.100000110.5V400G218-V400 WeakPolarHBondContact CA-O 3.22Å
219A40.9Very low53.4Low53 Ų5369.3 Ų69.344%0.43837%0.371SS..  trans-79.2122.6165.300000108.9
220T45.8Very low56.2Low53 Ų5358.3 Ų58.333%0.32533%0.329SS..  trans-99.1104.5176.353.40000110.5A397 R398T220-A397 HydrophobicContact CG2-CB 3.38Å; T220-R398 VanDerWaalsContact CA-O 3.3Å; T220-R398 WeakPolarHBondContact CA-O 3.39Å
221I50.1Low59.1Low87 Ų8750.7 Ų50.745%0.44629%0.294SS..  trans-88.9117.8169.6-49.1178.9000106.8D223 R398I221-D223 VanDerWaalsContact C-N 3.28Å; I221-D223 HydrophobicContact CG2-CB 4.5Å; I221-D223 WeakPolarHBondContact CG2-OD1 3.46Å; I221-D223 PolarHBondContact O-N 3.02Å; I221-R398 HydrophobicContact CB-CB 4.43Å; I221-R398 HydrophobicContact CB-CG 4.5Å; I221-R398 PolarHBondContact O-N 3.4Å; I221-R398 VanDerWaalsContact O-N 3.17Å
222S53.4Low61.9Low83 Ų8349.1 Ų49.158%0.5828%0.276SS*.THydrogen-bonded Turntrans-84.411.8-168.959.10000115.1A396S222-A396 CarbonylContact C-O 3.55Å; S222-A396 VanDerWaalsContact CA-O 3.29Å; S222-A396 WeakPolarHBondContact CA-O 3.36Å
223D58Low64.6Low75 Ų7546.2 Ų46.240%0.40126%0.255SS..THydrogen-bonded Turntrans-97.9-30.9-170.274.9-29.7000113.3I221I221-D223 VanDerWaalsContact C-N 3.28Å; I221-D223 HydrophobicContact CG2-CB 4.5Å; I221-D223 WeakPolarHBondContact CG2-OD1 3.46Å; I221-D223 PolarHBondContact O-N 3.02Å
224R60.4Low67.2Low150 Ų15044.9 Ų44.957%0.56625%0.251SS*.  trans-148.5137.6-171.6-66.8178.4-173.6-1643.2111.8R398R224-R398 VanDerWaalsContact CD-NH2 3.32Å; R224-R398 WeakPolarHBondContact O-CG 3.41Å; R224-R398 PolarHBondContact O-NE 2.83Å
225A73.1Confident69.9Low8 Ų842.8 Ų42.87%0.06624%0.238CC..EExtended strand (participates in β ladder)trans-102.2135176.100000110.1R319 P386 I387A225-R319 VanDerWaalsContact C-NH1 3.27Å; A225-R319 VanDerWaalsContact CB-CZ 3.43Å; A225-P386 CarbonylContact O-C 3.56Å; A225-P386 WeakPolarHBondContact O-CA 3.49Å; A225-I387 HydrophobicContact CB-CD1 3.78Å; A225-I387 HydrophobicContact CB-CG1 3.42Å; A225-I387 VanDerWaalsContact CB-CG1 3.42Å; A225-I387 WeakPolarHBondContact O-CG1 3.34Å; A225-I387 PolarHBondContact O-N 3.02Å
226I80Confident72.7Confident59 Ų5945.3 Ų45.330%0.30325%0.245SC..EExtended strand (participates in β ladder)trans-113.2130.8177.1-55-57.9000110.7R319 G385 P386I226-R319 PolarHBondContact O-NH1 2.84Å; I226-G385 CarbonylContact C-O 3.03Å; I226-P386 HydrophobicContact CD1-CB 4.1Å
227L87.7Confident75.4Confident8 Ų843.7 Ų43.74%0.04224%0.24CC..EExtended strand (participates in β ladder)trans-88.5133.3168.9-60-177.6000109.7I321 P372 L383 G385 I387L227-I321 HydrophobicContact CD1-CD1 3.45Å; L227-I321 VanDerWaalsContact CD1-CD1 3.45Å; L227-I321 HydrophobicContact CD2-CD1 3.67Å; L227-I321 HydrophobicContact CD2-CG1 4.29Å; L227-I321 HydrophobicContact CG-CD1 4.13Å; L227-P372 HydrophobicContact CD1-CB 3.98Å; L227-P372 HydrophobicContact CD1-CG 4.33Å; L227-L383 HydrophobicContact CD1-CB 3.89Å; L227-G385 PolarHBondContact N-O 3.42Å; L227-G385 PolarHBondContact O-N 3.16Å; L227-I387 HydrophobicContact CD1-CG2 3.66Å; L227-I387 HydrophobicContact CD2-CD1 3.94Å; L227-I387 HydrophobicContact CG-CD1 4.34Å; L227-I387 HydrophobicContact CG-CG1 4.49Å; L227-I387 HydrophobicContact CG-CG2 3.82Å
228L90.1Very high77.9Confident78 Ų7848.3 Ų48.341%0.40827%0.274SS..  trans-92.5160.2172.7-56.9177.9000109.6V230 L247 L316L228-V230 VanDerWaalsContact C-N 3.29Å; L228-V230 HydrophobicContact CB-CG2 4.26Å; L228-V230 PolarHBondContact O-N 3.06Å; L228-L247 HydrophobicContact CB-CD1 3.6Å; L228-L247 HydrophobicContact CD1-CD1 3.98Å; L228-L247 HydrophobicContact CD1-CD2 4.3Å; L228-L247 HydrophobicContact CG-CD1 4.4Å; L228-L316 HydrophobicContact CD1-CD2 4.1Å
229L93.9Very high80.2Confident40 Ų4051.2 Ų51.221%0.20929%0.291CS..  trans-68.886174.6-72.4168.1000110.1L248 V375 M382 A384L229-L248 HydrophobicContact CB-CB 4Å; L229-L248 PolarHBondContact O-N 2.99Å; L229-V375 HydrophobicContact CD2-CB 4.1Å; L229-V375 HydrophobicContact CD2-CG1 4.36Å; L229-V375 HydrophobicContact CD2-CG2 4.25Å; L229-M382 HydrophobicContact CB-SD 3.9Å; L229-M382 HydrophobicContact CD2-CB 4.01Å; L229-M382 HydrophobicContact CD2-CE 4.18Å; L229-M382 HydrophobicContact CD2-SD 3.92Å; L229-A384 HydrophobicContact CD2-CB 3.65Å; L229-A384 HydrophobicContact CG-CB 4.01Å
230V95.3Very high82.8Confident3 Ų350.1 Ų50.12%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-111.6126.6177.91790000109.3L228 Y245 A246 L247 V341 V346L228-V230 VanDerWaalsContact C-N 3.29Å; L228-V230 HydrophobicContact CB-CG2 4.26Å; L228-V230 PolarHBondContact O-N 3.06Å; V230-Y245 HydrophobicContact CG1-CD1 4.26Å; V230-Y245 HydrophobicContact CG1-CG 4.36Å; V230-A246 CarbonylContact C-O 3.58Å; V230-A246 VanDerWaalsContact CA-O 3.28Å; V230-A246 WeakPolarHBondContact CA-O 3.39Å; V230-L247 HydrophobicContact CG2-CD1 4.08Å; V230-V341 HydrophobicContact CB-CG1 3.88Å; V230-V341 HydrophobicContact CG1-CG1 3.56Å; V230-V346 HydrophobicContact CG1-CG2 3.64Å; V230-V346 HydrophobicContact CG2-CG2 4.21Å
231V96.3Very high85.2Confident1 Ų151 Ų511%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-126.9136.3-176.562.40000110.7I233 Y245 A246 L248 L379 M382V231-I233 HydrophobicContact CG1-CG2 3.97Å; V231-Y245 WeakPolarHBondContact O-CA 3.38Å; V231-A246 HydrophobicContact CG1-CB 4.2Å; V231-A246 PolarHBondContact N-O 2.97Å; V231-A246 PolarHBondContact O-N 3Å; V231-L248 HydrophobicContact CG1-CD2 4.5Å; V231-L379 HydrophobicContact CG1-CB 4.03Å; V231-L379 HydrophobicContact CG1-CD1 4.14Å; V231-L379 HydrophobicContact CG2-CB 3.98Å; V231-M382 HydrophobicContact CB-CG 3.63Å; V231-M382 HydrophobicContact CB-SD 3.79Å; V231-M382 HydrophobicContact CG1-SD 4.22Å; V231-M382 HydrophobicContact CG2-CG 4.12Å
232P97Very high87.5Confident12 Ų1249.7 Ų49.78%0.07828%0.28CS..EExtended strand (participates in β ladder)trans-65.8138168.6-10.823.9000110.6Y245 N339P232-Y245 HydrophobicContact CB-CD1 4.12Å; P232-Y245 HydrophobicContact CB-CE1 4.07Å; P232-Y245 HydrophobicContact CG-CD1 4.1Å; P232-Y245 HydrophobicContact CG-CE1 3.89Å; P232-N339 HydrophobicContact CG-CB 3.65Å
233I97.6Very high89.5Confident0 Ų049.6 Ų49.60%028%0.28CS..EExtended strand (participates in β ladder)trans-140.2163-179.157.8158.7000111.4V231 V235 S243 T244 A246 V294 V348 L379V231-I233 HydrophobicContact CG1-CG2 3.97Å; I233-V235 HydrophobicContact CD1-CG2 3.62Å; I233-V235 HydrophobicContact CG1-CG2 4.27Å; I233-S243 WeakPolarHBondContact O-CA 3.41Å; I233-T244 HydrophobicContact CD1-CG2 4.08Å; I233-T244 HydrophobicContact CG1-CG2 3.89Å; I233-T244 PolarHBondContact N-O 3.19Å; I233-T244 PolarHBondContact O-N 2.89Å; I233-A246 HydrophobicContact CD1-CB 3.62Å; I233-A246 HydrophobicContact CG1-CB 4.01Å; I233-A246 HydrophobicContact CG2-CB 4.06Å; I233-V294 HydrophobicContact CB-CG1 4.04Å; I233-V294 HydrophobicContact CD1-CG1 3.75Å; I233-V294 HydrophobicContact CD1-CG2 4.29Å; I233-V294 HydrophobicContact CG2-CG1 4.03Å; I233-V348 HydrophobicContact CD1-CB 4.17Å; I233-V348 HydrophobicContact CD1-CG1 4.41Å; I233-V348 HydrophobicContact CD1-CG2 4.15Å; I233-L379 HydrophobicContact CG2-CB 4.44Å; I233-L379 HydrophobicContact CG2-CD1 4.04Å; I233-L379 HydrophobicContact CG2-CD2 4.2Å; I233-L379 HydrophobicContact CG2-CG 4.47Å
234M98Very high91.4Very high46 Ų4646.3 Ų46.323%0.22726%0.263CS..EExtended strand (participates in β ladder)trans-103.4131.2164-58.7-55.5-63.700109T241 V294 A295M234-T241 HydrophobicContact CE-CG2 3.5Å; M234-T241 VanDerWaalsContact CE-CG2 3.5Å; M234-V294 CarbonylContact O-C 3.54Å; M234-V294 WeakPolarHBondContact O-CA 3.21Å; M234-A295 HydrophobicContact CB-CB 4.37Å; M234-A295 PolarHBondContact N-O 3.25Å; M234-A295 PolarHBondContact O-N 3.08Å
235V98.1Very high93.1Very high0 Ų041 Ų410%024%0.243CC..EExtended strand (participates in β ladder)trans-110.4125.4174.2-171.40000108.4I233 T241 L242 T244 L261 L265 F292 E293 V348I233-V235 HydrophobicContact CD1-CG2 3.62Å; I233-V235 HydrophobicContact CG1-CG2 4.27Å; V235-T241 WeakPolarHBondContact O-CA 3.3Å; V235-L242 PolarHBondContact N-O 2.9Å; V235-L242 PolarHBondContact O-N 2.84Å; V235-T244 HydrophobicContact CG2-CG2 3.68Å; V235-L261 HydrophobicContact CG2-CD2 4.27Å; V235-L265 HydrophobicContact CB-CD1 3.98Å; V235-L265 HydrophobicContact CG1-CD1 3.37Å; V235-F292 HydrophobicContact CG1-CB 4.16Å; V235-F292 HydrophobicContact CG1-CD2 3.57Å; V235-F292 HydrophobicContact CG1-CE2 4.2Å; V235-F292 HydrophobicContact CG1-CG 4.05Å; V235-E293 CarbonylContact C-O 3.58Å; V235-E293 WeakPolarHBondContact CA-O 3.22Å; V235-V348 HydrophobicContact CG2-CG2 4.05Å
236R97.2Very high94.3Very high77 Ų7740.7 Ų40.729%0.29124%0.24SC..EExtended strand (participates in β ladder)trans-117.2141.2-177.6-43.4-167-179.2120.9-6.1111.5A240 T241 E293R236-A240 WeakPolarHBondContact CA-O 3.49Å; R236-T241 HydrophobicContact CG-CG2 3.97Å; R236-T241 WeakPolarHBondContact CG-OG1 3.34Å; R236-E293 HydrophobicContact CB-CB 4.21Å; R236-E293 WeakPolarHBondContact CD-OE1 3.27Å; R236-E293 IonicContact CZ-OE1 3.21Å; R236-E293 PolarHBondContact N-O 2.67Å; R236-E293 IonicContact NE-OE1 2.84Å; R236-E293 IonicContact NH1-OE1 3.31Å; R236-E293 PolarHBondContact NH1-OE1 3.13Å; R236-E293 PolarHBondContact O-N 3.19Å
237S93.6Very high95Very high26 Ų2638.3 Ų38.318%0.18223%0.228CC..  trans-119.3-178.6164.572.80000109.3S239 A240 L265S237-S239 PolarHBondContact O-N 3.35Å; S237-S239 PolarHBondContact OG-N 3.41Å; S237-S239 VanDerWaalsContact OG-N 3.17Å; S237-S239 PolarHBondContact OG-OG 3.17Å; S237-A240 PolarHBondContact N-O 3Å; S237-A240 PolarHBondContact OG-N 3.25Å; S237-A240 PolarHBondContact OG-O 3.17Å; S237-L265 VanDerWaalsContact CB-O 3.23Å; S237-L265 WeakPolarHBondContact CB-O 3.38Å; S237-L265 PolarHBondContact OG-O 2.82Å
238S89.2Confident95.4Very high131 Ų13138.4 Ų38.492%0.91623%0.228SC*.SBendtrans-64.2-17.9171.851.60000113.7
239S88.8Confident95.6Very high86 Ų8637.5 Ų37.560%0.60122%0.224SC*.SBendtrans-118.9-20.7-171.859.10000114.4S237 L265S237-S239 PolarHBondContact O-N 3.35Å; S237-S239 PolarHBondContact OG-N 3.41Å; S237-S239 VanDerWaalsContact OG-N 3.17Å; S237-S239 PolarHBondContact OG-OG 3.17Å; S239-L265 PolarHBondContact OG-O 3.32Å; S239-L265 VanDerWaalsContact OG-O 3.08Å
240A95.3Very high95.4Very high29 Ų2939.6 Ų39.624%0.2424%0.242CC..  trans-151.8156.3-173.200000112.8R236 S237 L265R236-A240 WeakPolarHBondContact CA-O 3.49Å; S237-A240 PolarHBondContact N-O 3Å; S237-A240 PolarHBondContact OG-N 3.25Å; S237-A240 PolarHBondContact OG-O 3.17Å; A240-L265 HydrophobicContact CB-CD2 3.99Å
241T96.8Very high94.8Very high73 Ų7342.8 Ų42.845%0.44828%0.275SS..EExtended strand (participates in β ladder)trans-130126.7170.4-69.30000108.5M234 V235 R236M234-T241 HydrophobicContact CE-CG2 3.5Å; M234-T241 VanDerWaalsContact CE-CG2 3.5Å; V235-T241 WeakPolarHBondContact O-CA 3.3Å; R236-T241 HydrophobicContact CG-CG2 3.97Å; R236-T241 WeakPolarHBondContact CG-OG1 3.34Å
242L97.5Very high94.3Very high58 Ų5843.9 Ų43.930%0.30428%0.283SS..EExtended strand (participates in β ladder)trans-130.1143-178.4-64.4175.8000110.8V235 L261 K264 L265V235-L242 PolarHBondContact N-O 2.9Å; V235-L242 PolarHBondContact O-N 2.84Å; L242-L261 HydrophobicContact CB-CD1 4.16Å; L242-L261 HydrophobicContact CD1-CD1 3.79Å; L242-K264 HydrophobicContact CD1-CB 3.62Å; L242-L265 HydrophobicContact CB-CD2 4.12Å; L242-L265 HydrophobicContact CD1-CD2 3.83Å; L242-L265 HydrophobicContact CD1-CG 3.95Å; L242-L265 HydrophobicContact CG-CD2 3.81Å; L242-L265 HydrophobicContact CG-CG 4.46Å
243S96.4Very high93.7Very high81 Ų8151.1 Ų51.157%0.56632%0.316SS*.EExtended strand (participates in β ladder)trans-87.6139172.3-173.90000110.4I233I233-S243 WeakPolarHBondContact O-CA 3.41Å
244T96.6Very high93.2Very high7 Ų752.2 Ų52.24%0.04333%0.325CS..EExtended strand (participates in β ladder)trans-158-172.3176.2-164.40000110.2I233 V235 L261 E345 Q347 V348I233-T244 HydrophobicContact CD1-CG2 4.08Å; I233-T244 HydrophobicContact CG1-CG2 3.89Å; I233-T244 PolarHBondContact N-O 3.19Å; I233-T244 PolarHBondContact O-N 2.89Å; V235-T244 HydrophobicContact CG2-CG2 3.68Å; T244-L261 HydrophobicContact CG2-CD2 3.87Å; T244-E345 PolarHBondContact OG1-O 3.02Å; T244-Q347 HydrophobicContact CG2-CB 4.48Å; T244-Q347 WeakPolarHBondContact OG1-CB 3.49Å; T244-Q347 WeakPolarHBondContact OG1-CG 3.35Å; T244-Q347 PolarHBondContact OG1-OE1 3.3Å; T244-V348 HydrophobicContact CG2-CG2 4.13Å
245Y97.1Very high93.1Very high39 Ų3950 Ų5015%0.15331%0.314CS..EExtended strand (participates in β ladder)trans-111.2141.1172.1-57.6-85.1000111.4V230 V231 P232 D340 V341 N342 E345 Q347 V348V230-Y245 HydrophobicContact CG1-CD1 4.26Å; V230-Y245 HydrophobicContact CG1-CG 4.36Å; V231-Y245 WeakPolarHBondContact O-CA 3.38Å; P232-Y245 HydrophobicContact CB-CD1 4.12Å; P232-Y245 HydrophobicContact CB-CE1 4.07Å; P232-Y245 HydrophobicContact CG-CD1 4.1Å; P232-Y245 HydrophobicContact CG-CE1 3.89Å; Y245-D340 VanDerWaalsContact CE1-O 3.31Å; Y245-D340 WeakPolarHBondContact CE1-O 3.49Å; Y245-D340 PolarHBondContact OH-O 3.02Å; Y245-V341 HydrophobicContact CD1-CG1 4.45Å; Y245-V341 HydrophobicContact CE1-CB 4.43Å; Y245-V341 HydrophobicContact CE1-CG2 4.39Å; Y245-N342 HydrophobicContact CE2-CB 4.05Å; Y245-E345 HydrophobicContact CD2-CB 3.81Å; Y245-E345 HydrophobicContact CE2-CB 3.96Å; Y245-Q347 PolarHBondContact O-N 3.41Å; Y245-Q347 VanDerWaalsContact O-N 3.16Å; Y245-V348 PolarHBondContact O-N 2.89Å
246A97.2Very high92.9Very high0 Ų051.7 Ų51.70%032%0.323CS..EExtended strand (participates in β ladder)trans-106137.6168.500000111.2V230 V231 I233 V348 L350V230-A246 CarbonylContact C-O 3.58Å; V230-A246 VanDerWaalsContact CA-O 3.28Å; V230-A246 WeakPolarHBondContact CA-O 3.39Å; V231-A246 HydrophobicContact CG1-CB 4.2Å; V231-A246 PolarHBondContact N-O 2.97Å; V231-A246 PolarHBondContact O-N 3Å; I233-A246 HydrophobicContact CD1-CB 3.62Å; I233-A246 HydrophobicContact CG1-CB 4.01Å; I233-A246 HydrophobicContact CG2-CB 4.06Å; A246-V348 CarbonylContact C-O 3.54Å; A246-V348 VanDerWaalsContact CA-O 3.28Å; A246-V348 WeakPolarHBondContact CA-O 3.31Å; A246-V348 HydrophobicContact CB-CB 4.19Å; A246-V348 HydrophobicContact CB-CG1 4.31Å; A246-L350 HydrophobicContact CB-CD1 4.37Å
247L96.4Very high92.9Very high10 Ų1048 Ų485%0.05231%0.309CS..EExtended strand (participates in β ladder)trans-91.5126.4162.9170.463.6000109L228 V230 D249 L316 V346 V348 L349 L350L228-L247 HydrophobicContact CB-CD1 3.6Å; L228-L247 HydrophobicContact CD1-CD1 3.98Å; L228-L247 HydrophobicContact CD1-CD2 4.3Å; L228-L247 HydrophobicContact CG-CD1 4.4Å; V230-L247 HydrophobicContact CG2-CD1 4.08Å; L247-D249 HydrophobicContact CD2-CB 4.45Å; L247-D249 HydrophobicContact CG-CB 4.29Å; L247-L316 HydrophobicContact CB-CD1 4.42Å; L247-L316 HydrophobicContact CD2-CD1 4.07Å; L247-L316 HydrophobicContact CD2-CD2 3.8Å; L247-V346 HydrophobicContact CB-CG1 3.94Å; L247-V348 PolarHBondContact N-O 3.37Å; L247-L349 HydrophobicContact CD2-CD1 4.05Å; L247-L349 HydrophobicContact CD2-CG 4.47Å; L247-L349 CarbonylContact O-C 3.47Å; L247-L349 WeakPolarHBondContact O-CA 3.28Å; L247-L350 PolarHBondContact O-N 2.88Å
248L96.1Very high92.9Very high10 Ų1047.2 Ų47.25%0.05230%0.303CS..EExtended strand (participates in β ladder)trans-88.6110.6168-52.7-171.9000108.6L229 V231 L350 V357 L379 M382L229-L248 HydrophobicContact CB-CB 4Å; L229-L248 PolarHBondContact O-N 2.99Å; V231-L248 HydrophobicContact CG1-CD2 4.5Å; L248-L350 HydrophobicContact CD2-CB 3.94Å; L248-L350 HydrophobicContact CD2-CD1 3.9Å; L248-L350 HydrophobicContact CD2-CG 4.38Å; L248-V357 HydrophobicContact CD2-CG2 4.33Å; L248-L379 HydrophobicContact CD2-CD1 4.35Å; L248-M382 HydrophobicContact CD1-CE 3.75Å; L248-M382 HydrophobicContact CD1-SD 3.67Å; L248-M382 HydrophobicContact CG-SD 4.18Å
249D92.4Very high93.1Very high59 Ų5943.6 Ų43.632%0.31627%0.271SS..  trans-121.496.3-178.1-170.7-3.6000110.8L247 G251 S252 L349 L350L247-D249 HydrophobicContact CD2-CB 4.45Å; L247-D249 HydrophobicContact CG-CB 4.29Å; D249-G251 PolarHBondContact O-N 2.94Å; D249-G251 WeakPolarHBondContact OD1-CA 3.37Å; D249-G251 PolarHBondContact OD1-N 3.15Å; D249-S252 PolarHBondContact O-N 2.76Å; D249-S252 VanDerWaalsContact O-N 3.14Å; D249-L349 HydrophobicContact CB-CD1 4.02Å; D249-L349 HydrophobicContact CB-CD2 4.05Å; D249-L349 HydrophobicContact CB-CG 3.98Å; D249-L350 PolarHBondContact N-O 2.88Å
250S89.8Confident93.4Very high84 Ų8443 Ų4359%0.58726%0.261SS*.THydrogen-bonded Turntrans-68.5-11.3176.459.70000113.5S252S250-S252 VanDerWaalsContact C-N 3.33Å
251G83.9Confident93.5Very high69 Ų6941.6 Ų41.671%0.71125%0.25SC*.THydrogen-bonded Turntrans-85.4-417300000113.9D249D249-G251 PolarHBondContact O-N 2.94Å; D249-G251 WeakPolarHBondContact OD1-CA 3.37Å; D249-G251 PolarHBondContact OD1-N 3.15Å
252S85.3Confident93.4Very high25 Ų2538.2 Ų38.218%0.17523%0.229CC..  trans-103.4127.2176.7-1710000110.9D249 S250 A254 G351 I352D249-S252 PolarHBondContact O-N 2.76Å; D249-S252 VanDerWaalsContact O-N 3.14Å; S250-S252 VanDerWaalsContact C-N 3.33Å; S252-A254 PolarHBondContact O-N 3.22Å; S252-A254 PolarHBondContact OG-N 2.89Å; S252-A254 PolarHBondContact OG-O 2.61Å; S252-G351 CarbonylContact O-C 3.59Å; S252-G351 WeakPolarHBondContact O-CA 3.2Å; S252-I352 PolarHBondContact O-N 3.04Å
253E85.1Confident93.3Very high164 Ų16442 Ų4277%0.76624%0.243SC*.SBendtrans-76.9-8.6173.4-66.6179.7169.400113.2D353E253-D353 WeakPolarHBondContact O-CB 3.37Å
254A87.5Confident93.2Very high23 Ų2344.1 Ų44.119%0.1924%0.242CC..SBendtrans-135.8147.2-177.300000112S252 F309 L349S252-A254 PolarHBondContact O-N 3.22Å; S252-A254 PolarHBondContact OG-N 2.89Å; S252-A254 PolarHBondContact OG-O 2.61Å; A254-F309 HydrophobicContact CB-CD2 3.73Å; A254-F309 HydrophobicContact CB-CE2 3.54Å; A254-L349 WeakPolarHBondContact O-CD2 3.48Å
255S94.4Very high93.2Very high0 Ų043.8 Ų43.80%024%0.24CC..  trans-83.8143.8170.1-64.80000112.2A308 F309 L349 G351 D353 Y354S255-A308 CarbonylContact O-C 3.58Å; S255-A308 VanDerWaalsContact O-CA 3.3Å; S255-A308 WeakPolarHBondContact O-CA 3.34Å; S255-A308 WeakPolarHBondContact O-CB 3.39Å; S255-F309 PolarHBondContact O-N 3.06Å; S255-L349 CarbonylContact C-O 3.5Å; S255-L349 WeakPolarHBondContact CA-O 3.39Å; S255-L349 WeakPolarHBondContact CB-O 3.19Å; S255-G351 PolarHBondContact OG-N 3.39Å; S255-D353 PolarHBondContact N-OD2 3.2Å; S255-D353 VanDerWaalsContact N-OD2 3.11Å; S255-D353 PolarHBondContact OG-OD1 3.04Å; S255-D353 PolarHBondContact OG-OD2 3.18Å; S255-Y354 VanDerWaalsContact OG-CD2 3.23Å; S255-Y354 WeakPolarHBondContact OG-CD2 3.44Å; S255-Y354 WeakPolarHBondContact OG-CE2 3.48Å
256L94.7Very high93.1Very high35 Ų3544 Ų4418%0.18326%0.255CS..EExtended strand (participates in β ladder)trans-125.9151.9-177.6-47.5175.7000111.4F309 V311 L314 V348 L349L256-F309 CarbonylContact C-O 3.45Å; L256-F309 VanDerWaalsContact CA-O 3.25Å; L256-F309 WeakPolarHBondContact CA-O 3.25Å; L256-F309 HydrophobicContact CD2-CB 3.78Å; L256-F309 HydrophobicContact CD2-CD2 4.14Å; L256-F309 HydrophobicContact CD2-CG 4.48Å; L256-V311 HydrophobicContact CB-CG2 4.43Å; L256-V311 HydrophobicContact CD1-CG1 4.25Å; L256-V311 HydrophobicContact CD2-CG1 4.41Å; L256-L314 HydrophobicContact CB-CD2 4.38Å; L256-L314 HydrophobicContact CD1-CD2 4.1Å; L256-V348 CarbonylContact O-C 3.47Å; L256-V348 WeakPolarHBondContact O-CA 3.29Å; L256-L349 HydrophobicContact CB-CB 4.07Å; L256-L349 HydrophobicContact CD1-CD1 4.24Å; L256-L349 HydrophobicContact CG-CB 4.39Å; L256-L349 HydrophobicContact CG-CD2 4.39Å; L256-L349 PolarHBondContact N-O 3.18Å; L256-L349 PolarHBondContact O-N 2.87Å
257I95.9Very high93Very high0 Ų044.9 Ų44.90%026%0.259CS..EExtended strand (participates in β ladder)trans-138.2145.9171.9-175.1168.8000110.4L261 A262 L267 V290 F292 F309 T310 V311 Q347 V348I257-L261 HydrophobicContact CD1-CB 4.39Å; I257-L261 HydrophobicContact CD1-CD2 3.91Å; I257-L261 HydrophobicContact CD1-CG 4.04Å; I257-L261 HydrophobicContact CG1-CB 4.22Å; I257-L261 HydrophobicContact CG1-CD2 4.01Å; I257-L261 HydrophobicContact CG1-CG 4.31Å; I257-A262 HydrophobicContact CD1-CB 4.49Å; I257-L267 HydrophobicContact CD1-CD1 4.03Å; I257-V290 HydrophobicContact CG2-CG2 3.39Å; I257-F292 HydrophobicContact CB-CE1 3.89Å; I257-F292 HydrophobicContact CB-CZ 4.15Å; I257-F292 HydrophobicContact CD1-CD1 3.91Å; I257-F292 HydrophobicContact CD1-CE1 3.67Å; I257-F292 HydrophobicContact CD1-CG 4.43Å; I257-F292 HydrophobicContact CD1-CZ 4.01Å; I257-F292 HydrophobicContact CG1-CE1 4.35Å; I257-F292 HydrophobicContact CG2-CE1 3.94Å; I257-F309 PolarHBondContact N-O 2.83Å; I257-T310 HydrophobicContact CG2-CG2 4.29Å; I257-T310 CarbonylContact O-C 3.52Å; I257-T310 VanDerWaalsContact O-CA 3.24Å; I257-T310 WeakPolarHBondContact O-CA 3.35Å; I257-V311 PolarHBondContact O-N 3.38Å; I257-Q347 CarbonylContact C-O 3.57Å; I257-Q347 WeakPolarHBondContact CA-O 3.49Å; I257-V348 HydrophobicContact CD1-CG2 4.47Å; I257-V348 HydrophobicContact CG1-CG2 4.24Å
258T94.7Very high92.8Very high8 Ų851.5 Ų51.55%0.04929%0.294CS..EExtended strand (participates in β ladder)trans-69.1140.8175.261.60000111.9D260 L261 A262 V311 L314 Q347T258-D260 PolarHBondContact O-N 3.05Å; T258-L261 PolarHBondContact O-N 3.4Å; T258-L261 WeakPolarHBondContact OG1-CB 3.41Å; T258-L261 PolarHBondContact OG1-N 3.41Å; T258-A262 PolarHBondContact O-N 2.84Å; T258-V311 CarbonylContact C-O 3.52Å; T258-V311 WeakPolarHBondContact CA-O 3.24Å; T258-L314 HydrophobicContact CG2-CG 4.38Å; T258-Q347 HydrophobicContact CG2-CB 4.11Å; T258-Q347 HydrophobicContact CG2-CG 4.33Å; T258-Q347 PolarHBondContact N-O 2.98Å; T258-Q347 WeakPolarHBondContact OG1-CB 3.43Å
259E93.2Very high92.5Very high56 Ų5654.9 Ų54.926%0.26231%0.312SS..Hα-helixtrans-57-35175.7-73.7-179.3-16200112.4K263 V311 N312E259-K263 WeakPolarHBondContact O-CB 3.37Å; E259-K263 WeakPolarHBondContact O-CD 3.47Å; E259-K263 VanDerWaalsContact O-CG 3.23Å; E259-K263 WeakPolarHBondContact O-CG 3.45Å; E259-K263 PolarHBondContact O-N 3.08Å; E259-K263 IonicContact OE2-NZ 2.89Å; E259-V311 PolarHBondContact N-O 2.89Å; E259-N312 PolarHBondContact OE1-OD1 3.33Å
260D94.8Very high92.4Very high72 Ų7257.6 Ų57.639%0.38532%0.321SS..Hα-helixtrans-62.3-48.9176.8175.870000111.5T258 K263 K264 Q347T258-D260 PolarHBondContact O-N 3.05Å; D260-K263 PolarHBondContact O-N 2.83Å; D260-K264 WeakPolarHBondContact O-CG 3.38Å; D260-K264 PolarHBondContact O-N 3.39Å; D260-K264 WeakPolarHBondContact OD1-CE 3.48Å; D260-K264 IonicContact OD1-NZ 2.93Å; D260-K264 PolarHBondContact OD1-NZ 2.91Å; D260-K264 VanDerWaalsContact OD2-CE 3.3Å; D260-K264 WeakPolarHBondContact OD2-CE 3.34Å; D260-K264 IonicContact OD2-NZ 3.99Å; D260-K264 PolarHBondContact OD2-NZ 3.19Å; D260-Q347 PolarHBondContact OD2-NE2 3.45Å
261L96.8Very high92.2Very high1 Ų158.7 Ų58.71%0.00533%0.326CS..Hα-helixtrans-64.8-43.4177.8-177.660.7000111.5V235 L242 T244 I257 T258 K263 K264 L265 Q347 V348V235-L261 HydrophobicContact CG2-CD2 4.27Å; L242-L261 HydrophobicContact CB-CD1 4.16Å; L242-L261 HydrophobicContact CD1-CD1 3.79Å; T244-L261 HydrophobicContact CG2-CD2 3.87Å; I257-L261 HydrophobicContact CD1-CB 4.39Å; I257-L261 HydrophobicContact CD1-CD2 3.91Å; I257-L261 HydrophobicContact CD1-CG 4.04Å; I257-L261 HydrophobicContact CG1-CB 4.22Å; I257-L261 HydrophobicContact CG1-CD2 4.01Å; I257-L261 HydrophobicContact CG1-CG 4.31Å; T258-L261 PolarHBondContact O-N 3.4Å; T258-L261 WeakPolarHBondContact OG1-CB 3.41Å; T258-L261 PolarHBondContact OG1-N 3.41Å; L261-K263 VanDerWaalsContact C-N 3.3Å; L261-K263 PolarHBondContact O-N 3.17Å; L261-K264 PolarHBondContact O-N 3.5Å; L261-L265 HydrophobicContact CD1-CD1 4.01Å; L261-L265 HydrophobicContact CD1-CG 4.24Å; L261-L265 HydrophobicContact CG-CD1 3.91Å; L261-L265 WeakPolarHBondContact O-CB 3.43Å; L261-L265 WeakPolarHBondContact O-CG 3.44Å; L261-L265 PolarHBondContact O-N 3.37Å; L261-Q347 HydrophobicContact CB-CB 4.2Å; L261-Q347 HydrophobicContact CD2-CB 3.69Å; L261-V348 HydrophobicContact CD2-CG2 3.85Å
262A95.5Very high92.2Very high1 Ų157.8 Ų57.81%0.00831%0.307CS..Hα-helixtrans-59.2-40.8177.600000112.4I257 T258 G266 L267 T310I257-A262 HydrophobicContact CD1-CB 4.49Å; T258-A262 PolarHBondContact O-N 2.84Å; A262-G266 PolarHBondContact O-N 3.47Å; A262-L267 HydrophobicContact CB-CD1 4.07Å; A262-L267 PolarHBondContact O-N 2.98Å; A262-T310 HydrophobicContact CB-CG2 4.44Å
263K94.6Very high91.7Very high137 Ų13759 Ų5960%0.59632%0.318SS*.Hα-helixtrans-65.8-46.1175-75.1168.1-173.7163.80112.1E259 D260 L261 L265 G266E259-K263 WeakPolarHBondContact O-CB 3.37Å; E259-K263 WeakPolarHBondContact O-CD 3.47Å; E259-K263 VanDerWaalsContact O-CG 3.23Å; E259-K263 WeakPolarHBondContact O-CG 3.45Å; E259-K263 PolarHBondContact O-N 3.08Å; E259-K263 IonicContact OE2-NZ 2.89Å; D260-K263 PolarHBondContact O-N 2.83Å; L261-K263 VanDerWaalsContact C-N 3.3Å; L261-K263 PolarHBondContact O-N 3.17Å; K263-L265 PolarHBondContact O-N 2.78Å; K263-G266 PolarHBondContact O-N 3Å
264K96Very high91.1Very high126 Ų12652.7 Ų52.755%0.54829%0.291SS..Hα-helixtrans-62.1-32.6179.1-73170.7176166.50112.8L242 D260 L261 G266L242-K264 HydrophobicContact CD1-CB 3.62Å; D260-K264 WeakPolarHBondContact O-CG 3.38Å; D260-K264 PolarHBondContact O-N 3.39Å; D260-K264 WeakPolarHBondContact OD1-CE 3.48Å; D260-K264 IonicContact OD1-NZ 2.93Å; D260-K264 PolarHBondContact OD1-NZ 2.91Å; D260-K264 VanDerWaalsContact OD2-CE 3.3Å; D260-K264 WeakPolarHBondContact OD2-CE 3.34Å; D260-K264 IonicContact OD2-NZ 3.99Å; D260-K264 PolarHBondContact OD2-NZ 3.19Å; L261-K264 PolarHBondContact O-N 3.5Å; K264-G266 VanDerWaalsContact C-N 3.32Å
265L96.5Very high90.1Very high0 Ų054.5 Ų54.50%030%0.302CS..THydrogen-bonded Turntrans-82.5-6.2175.3-71.7170.2000113.7V235 S237 S239 A240 L242 L261 K263 L267V235-L265 HydrophobicContact CB-CD1 3.98Å; V235-L265 HydrophobicContact CG1-CD1 3.37Å; S237-L265 VanDerWaalsContact CB-O 3.23Å; S237-L265 WeakPolarHBondContact CB-O 3.38Å; S237-L265 PolarHBondContact OG-O 2.82Å; S239-L265 PolarHBondContact OG-O 3.32Å; S239-L265 VanDerWaalsContact OG-O 3.08Å; A240-L265 HydrophobicContact CB-CD2 3.99Å; L242-L265 HydrophobicContact CB-CD2 4.12Å; L242-L265 HydrophobicContact CD1-CD2 3.83Å; L242-L265 HydrophobicContact CD1-CG 3.95Å; L242-L265 HydrophobicContact CG-CD2 3.81Å; L242-L265 HydrophobicContact CG-CG 4.46Å; L261-L265 HydrophobicContact CD1-CD1 4.01Å; L261-L265 HydrophobicContact CD1-CG 4.24Å; L261-L265 HydrophobicContact CG-CD1 3.91Å; L261-L265 WeakPolarHBondContact O-CB 3.43Å; L261-L265 WeakPolarHBondContact O-CG 3.44Å; L261-L265 PolarHBondContact O-N 3.37Å; K263-L265 PolarHBondContact O-N 2.78Å; L265-L267 VanDerWaalsContact C-N 3.31Å; L265-L267 HydrophobicContact CB-CD1 4.43Å; L265-L267 HydrophobicContact CB-CD2 4.03Å; L265-L267 HydrophobicContact CB-CG 3.82Å; L265-L267 HydrophobicContact CD1-CD1 4.35Å; L265-L267 PolarHBondContact O-N 3.03Å
266G95.1Very high88.7Confident45 Ų4557.8 Ų57.846%0.46432%0.319SS..THydrogen-bonded Turntrans61.735.7-176.700000113.5A262 K263 K264A262-G266 PolarHBondContact O-N 3.47Å; K263-G266 PolarHBondContact O-N 3Å; K264-G266 VanDerWaalsContact C-N 3.32Å
267L95.1Very high87.1Confident17 Ų1760 Ų609%0.08933%0.334CS..PPolyproline II helixtrans-70.3144.1-177.7-60.2-178.5000111.9I257 A262 L265 L269 V290 F292I257-L267 HydrophobicContact CD1-CD1 4.03Å; A262-L267 HydrophobicContact CB-CD1 4.07Å; A262-L267 PolarHBondContact O-N 2.98Å; L265-L267 VanDerWaalsContact C-N 3.31Å; L265-L267 HydrophobicContact CB-CD1 4.43Å; L265-L267 HydrophobicContact CB-CD2 4.03Å; L265-L267 HydrophobicContact CB-CG 3.82Å; L265-L267 HydrophobicContact CD1-CD1 4.35Å; L265-L267 PolarHBondContact O-N 3.03Å; L267-L269 PolarHBondContact O-N 3.32Å; L267-V290 HydrophobicContact CB-CB 4.1Å; L267-V290 HydrophobicContact CB-CG1 4.01Å; L267-V290 HydrophobicContact CD1-CB 3.97Å; L267-V290 HydrophobicContact CD1-CG1 4.46Å; L267-V290 HydrophobicContact CD1-CG2 3.84Å; L267-F292 HydrophobicContact CD1-CB 4Å; L267-F292 HydrophobicContact CD1-CD1 3.92Å; L267-F292 HydrophobicContact CD1-CG 4.32Å; L267-F292 HydrophobicContact CD2-CB 4.05Å
268N92Very high85.2Confident149 Ų14965.2 Ų65.280%0.79737%0.366SS*.PPolyproline II helixtrans-70.8116.1173.9-69.4-30.6000110.2
269L89.1Confident83.3Confident81 Ų8171 Ų7142%0.42439%0.391SS..PPolyproline II helixtrans-89.6118.1-177.4-60.4164.1000110.4L267 L288 V290 T310L267-L269 PolarHBondContact O-N 3.32Å; L269-L288 HydrophobicContact CB-CB 4.38Å; L269-L288 HydrophobicContact CB-CD1 4.09Å; L269-L288 HydrophobicContact CD1-CD1 4Å; L269-L288 HydrophobicContact CD2-CB 4.14Å; L269-L288 HydrophobicContact CD2-CD1 3.8Å; L269-L288 HydrophobicContact CG-CD1 4.17Å; L269-V290 HydrophobicContact CD2-CG1 3.48Å; L269-V290 VanDerWaalsContact CD2-CG1 3.48Å; L269-V290 HydrophobicContact CG-CG1 4.41Å; L269-T310 HydrophobicContact CD2-CG2 4.11Å
270K89.5Confident81.1Confident116 Ų11674.5 Ų74.550%0.50441%0.405SS..EExtended strand (participates in β ladder)trans-104115.7174.4179.2-178.1170.5-169.90109.9T272 L288 A289 E307K270-T272 PolarHBondContact O-N 2.91Å; K270-L288 CarbonylContact O-C 3.56Å; K270-L288 WeakPolarHBondContact O-CA 3.25Å; K270-A289 HydrophobicContact CB-CB 4.46Å; K270-A289 PolarHBondContact N-O 3.47Å; K270-A289 PolarHBondContact O-N 3.33Å; K270-E307 IonicContact NZ-OE1 2.71Å; K270-E307 PolarHBondContact NZ-OE1 2.84Å
271P87Confident79.1Confident107 Ų10775.6 Ų75.670%0.69541%0.411SS*.EExtended strand (participates in β ladder)trans-55.9133.8174-25.335000112.2L288P271-L288 HydrophobicContact CB-CD2 4.4Å; P271-L288 HydrophobicContact CG-CD2 4.27Å
272T84.3Confident77.4Confident51 Ų5185.1 Ų85.131%0.31345%0.447SS..EExtended strand (participates in β ladder)trans-152.2-177.3-179.8-167.50000110.5K270 P286 T287 A289 F309K270-T272 PolarHBondContact O-N 2.91Å; T272-P286 WeakPolarHBondContact O-CA 3.3Å; T272-T287 CarbonylContact C-O 3.49Å; T272-T287 HydrophobicContact CG2-CG2 3.6Å; T272-T287 PolarHBondContact N-O 3.31Å; T272-T287 PolarHBondContact O-N 3.13Å; T272-A289 HydrophobicContact CG2-CB 3.87Å; T272-F309 HydrophobicContact CG2-CD1 3.72Å; T272-F309 HydrophobicContact CG2-CE1 3.75Å
273A73.8Confident75.8Confident49 Ų4990.9 Ų90.941%0.40547%0.473SS..EExtended strand (participates in β ladder)trans-136.7147.6172.100000111P284 I285A273-P284 HydrophobicContact CB-CB 3.79Å; A273-I285 CarbonylContact C-O 3.55Å; A273-I285 VanDerWaalsContact CA-O 3.3Å; A273-I285 WeakPolarHBondContact CA-O 3.37Å
274V73.7Confident74.5Confident32 Ų3288 Ų8819%0.19447%0.469CS..EExtended strand (participates in β ladder)trans-124.4141.6179-670000110.8I285 T287 F309V274-I285 HydrophobicContact CG2-CB 4.07Å; V274-I285 PolarHBondContact N-O 2.93Å; V274-I285 WeakPolarHBondContact O-CB 3.33Å; V274-I285 PolarHBondContact O-N 3.04Å; V274-T287 HydrophobicContact CB-CG2 4.34Å; V274-T287 HydrophobicContact CG1-CG2 3.62Å; V274-T287 HydrophobicContact CG2-CG2 3.9Å; V274-F309 HydrophobicContact CG1-CB 4.21Å; V274-F309 HydrophobicContact CG1-CD1 3.39Å; V274-F309 HydrophobicContact CG1-CD2 3.39Å; V274-F309 HydrophobicContact CG1-CE1 3.41Å; V274-F309 VanDerWaalsContact CG1-CE1 3.41Å; V274-F309 HydrophobicContact CG1-CE2 3.4Å; V274-F309 VanDerWaalsContact CG1-CE2 3.4Å; V274-F309 HydrophobicContact CG1-CG 3.38Å; V274-F309 HydrophobicContact CG1-CZ 3.43Å; V274-F309 VanDerWaalsContact CG1-CZ 3.43Å
275C66.5Low73.3Confident61 Ų6184.5 Ų84.541%0.41246%0.455SS..EExtended strand (participates in β ladder)trans-106.2132.6175.6-64.10000109.9T277C275-T277 HydrophobicContact CB-CG2 4.43Å
276L64.3Low72.1Confident69 Ų6989.1 Ų89.136%0.36149%0.486SS..  trans-89.7111.9170.1-64.9175000108.6V214 I285 V403V214-L276 HydrophobicContact CG2-CD1 4.19Å; L276-I285 HydrophobicContact CD1-CD1 3.6Å; L276-I285 HydrophobicContact CG-CD1 3.83Å; L276-V403 HydrophobicContact CD1-CG1 4.46Å; L276-V403 HydrophobicContact CD1-CG2 4.32Å
277T61.2Low71.5Confident83 Ų8388.2 Ų88.251%0.50947%0.471SS..  trans-101.4-17.5-169.754.10000114.5C275 R282C275-T277 HydrophobicContact CB-CG2 4.43Å; T277-R282 HydrophobicContact CG2-CG 4.39Å
278T54.9Low71.2Confident109 Ų10989.8 Ų89.867%0.66948%0.479SS*.SBendtrans-84.1-15.7-164.938.50000116.1
279F55.7Low71.2Confident128 Ų12882.9 Ų82.956%0.56144%0.443SS*.SBendtrans-129-28.3-174.6-65.2-75000116.2V403F279-V403 HydrophobicContact CB-CB 4.24Å; F279-V403 HydrophobicContact CD2-CB 4.43Å; F279-V403 HydrophobicContact CD2-CG2 4.22Å
280K46.7Very low71.5Confident130 Ų13079.1 Ų79.157%0.56542%0.423SS*.SBendtrans175155.4164-140.1179.4169.1-167.20110.2L405K280-L405 HydrophobicContact CB-CD1 4.45Å
281D53.1Low71.8Confident95 Ų9576.4 Ų76.451%0.50842%0.419SS..  trans44.9123174-59.7-25.6000119.3Q283D281-Q283 HydrophobicContact CB-CG 4.33Å; D281-Q283 PolarHBondContact O-N 3.41Å
282R60.2Low72.3Confident202 Ų20271.5 Ų71.576%0.76239%0.386SS*.  trans-76.341.3177.3-64.9-175.3171.5176-3.1113.4T277 P284T277-R282 HydrophobicContact CG2-CG 4.39Å; R282-P284 WeakPolarHBondContact O-CD 3.23Å
283Q61.7Low73Confident121 Ų12171.6 Ų71.657%0.56538%0.383SS*.  trans-72.6123.4179.1-71.7-62.4-20.100110.1D281 I285D281-Q283 HydrophobicContact CB-CG 4.33Å; D281-Q283 PolarHBondContact O-N 3.41Å; Q283-I285 PolarHBondContact O-N 3.47Å
284P67.5Low74.1Confident76 Ų7669.2 Ų69.249%0.49436%0.364SS..EExtended strand (participates in β ladder)trans-64.1123.2175.7-18.230.9000110.3A273 R282 P286A273-P284 HydrophobicContact CB-CB 3.79Å; R282-P284 WeakPolarHBondContact O-CD 3.23Å; P284-P286 WeakPolarHBondContact O-CD 3.48Å
285I70.2Confident75.3Confident53 Ų5367.7 Ų67.727%0.27236%0.355SS..EExtended strand (participates in β ladder)trans-97113.6173.6-55.9176.4000107.1V214 A273 V274 L276 Q283 T287V214-I285 HydrophobicContact CG2-CD1 4.37Å; A273-I285 CarbonylContact C-O 3.55Å; A273-I285 VanDerWaalsContact CA-O 3.3Å; A273-I285 WeakPolarHBondContact CA-O 3.37Å; V274-I285 HydrophobicContact CG2-CB 4.07Å; V274-I285 PolarHBondContact N-O 2.93Å; V274-I285 WeakPolarHBondContact O-CB 3.33Å; V274-I285 PolarHBondContact O-N 3.04Å; L276-I285 HydrophobicContact CD1-CD1 3.6Å; L276-I285 HydrophobicContact CG-CD1 3.83Å; Q283-I285 PolarHBondContact O-N 3.47Å; I285-T287 PolarHBondContact O-N 3.33Å
286P72.7Confident76.7Confident98 Ų9864.9 Ų64.964%0.63634%0.336SS*.EExtended strand (participates in β ladder)trans-58.1131.6174.9-23.933.5000111T272 P284T272-P286 WeakPolarHBondContact O-CA 3.3Å; P284-P286 WeakPolarHBondContact O-CD 3.48Å
287T82.4Confident78.2Confident25 Ų2564.7 Ų64.715%0.15334%0.34CS..EExtended strand (participates in β ladder)trans-148.4-173.9176.3-168.10000109.9T272 V274 I285 F309 T310T272-T287 CarbonylContact C-O 3.49Å; T272-T287 HydrophobicContact CG2-CG2 3.6Å; T272-T287 PolarHBondContact N-O 3.31Å; T272-T287 PolarHBondContact O-N 3.13Å; V274-T287 HydrophobicContact CB-CG2 4.34Å; V274-T287 HydrophobicContact CG1-CG2 3.62Å; V274-T287 HydrophobicContact CG2-CG2 3.9Å; I285-T287 PolarHBondContact O-N 3.33Å; T287-F309 HydrophobicContact CG2-CB 4.19Å; T287-F309 HydrophobicContact CG2-CD1 3.88Å; T287-F309 HydrophobicContact CG2-CG 4.29Å; T287-T310 PolarHBondContact OG1-O 2.86Å; T287-T310 PolarHBondContact OG1-OG1 3.35Å
288L88.6Confident79.7Confident51 Ų5166.5 Ų66.527%0.26735%0.346SS..EExtended strand (participates in β ladder)trans-115.3147.1174-49.6167.4000108.4L269 K270 P271 F309 T310L269-L288 HydrophobicContact CB-CB 4.38Å; L269-L288 HydrophobicContact CB-CD1 4.09Å; L269-L288 HydrophobicContact CD1-CD1 4Å; L269-L288 HydrophobicContact CD2-CB 4.14Å; L269-L288 HydrophobicContact CD2-CD1 3.8Å; L269-L288 HydrophobicContact CG-CD1 4.17Å; K270-L288 CarbonylContact O-C 3.56Å; K270-L288 WeakPolarHBondContact O-CA 3.25Å; P271-L288 HydrophobicContact CB-CD2 4.4Å; P271-L288 HydrophobicContact CG-CD2 4.27Å; L288-F309 CarbonylContact O-C 3.55Å; L288-F309 WeakPolarHBondContact O-CA 3.3Å; L288-T310 HydrophobicContact CB-CG2 3.94Å; L288-T310 WeakPolarHBondContact CB-OG1 3.26Å; L288-T310 PolarHBondContact N-OG1 3.17Å; L288-T310 PolarHBondContact O-N 2.83Å; L288-T310 PolarHBondContact O-OG1 2.83Å
289A91.8Very high81.6Confident4 Ų463.3 Ų63.33%0.03334%0.335CS..EExtended strand (participates in β ladder)trans-107.6144.2169.100000109.5K270 T272 E307 A308 F309K270-A289 HydrophobicContact CB-CB 4.46Å; K270-A289 PolarHBondContact N-O 3.47Å; K270-A289 PolarHBondContact O-N 3.33Å; T272-A289 HydrophobicContact CG2-CB 3.87Å; A289-E307 HydrophobicContact CB-CB 4.41Å; A289-A308 CarbonylContact C-O 3.6Å; A289-A308 WeakPolarHBondContact CA-O 3.27Å; A289-F309 HydrophobicContact CB-CD1 4.44Å
290V95.3Very high83.4Confident2 Ų261.4 Ų61.41%0.01234%0.337CS..EExtended strand (participates in β ladder)trans-139.6158.7177.4-62.80000110.6I257 L267 L269 F292 E307 A308 T310I257-V290 HydrophobicContact CG2-CG2 3.39Å; L267-V290 HydrophobicContact CB-CB 4.1Å; L267-V290 HydrophobicContact CB-CG1 4.01Å; L267-V290 HydrophobicContact CD1-CB 3.97Å; L267-V290 HydrophobicContact CD1-CG1 4.46Å; L267-V290 HydrophobicContact CD1-CG2 3.84Å; L269-V290 HydrophobicContact CD2-CG1 3.48Å; L269-V290 VanDerWaalsContact CD2-CG1 3.48Å; L269-V290 HydrophobicContact CG-CG1 4.41Å; V290-F292 HydrophobicContact CG2-CD1 4.01Å; V290-F292 HydrophobicContact CG2-CE1 4.12Å; V290-E307 CarbonylContact O-C 3.49Å; V290-E307 WeakPolarHBondContact O-CA 3.32Å; V290-E307 PolarHBondContact O-N 3.03Å; V290-A308 PolarHBondContact N-O 3.29Å; V290-A308 PolarHBondContact O-N 3.48Å; V290-T310 HydrophobicContact CG1-CG2 4.01Å; V290-T310 HydrophobicContact CG2-CG2 4.33Å
291S96.6Very high85.8Confident58 Ų5857.4 Ų57.441%0.40632%0.319SS..EExtended strand (participates in β ladder)trans-123.5138.8174.3-58.40000109.5V305 R306 E307S291-V305 CarbonylContact C-O 3.59Å; S291-V305 VanDerWaalsContact CA-O 3.26Å; S291-V305 WeakPolarHBondContact CA-O 3.47Å; S291-V305 WeakPolarHBondContact CB-O 3.48Å; S291-R306 WeakPolarHBondContact OG-CA 3.45Å; S291-E307 PolarHBondContact OG-N 3.11Å
292F97.5Very high87.9Confident4 Ų456.2 Ų56.22%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-155.7164-176.255.3-92.9000110.9V235 I257 L267 V290 V294 Q304 V305 A308 V348V235-F292 HydrophobicContact CG1-CB 4.16Å; V235-F292 HydrophobicContact CG1-CD2 3.57Å; V235-F292 HydrophobicContact CG1-CE2 4.2Å; V235-F292 HydrophobicContact CG1-CG 4.05Å; I257-F292 HydrophobicContact CB-CE1 3.89Å; I257-F292 HydrophobicContact CB-CZ 4.15Å; I257-F292 HydrophobicContact CD1-CD1 3.91Å; I257-F292 HydrophobicContact CD1-CE1 3.67Å; I257-F292 HydrophobicContact CD1-CG 4.43Å; I257-F292 HydrophobicContact CD1-CZ 4.01Å; I257-F292 HydrophobicContact CG1-CE1 4.35Å; I257-F292 HydrophobicContact CG2-CE1 3.94Å; L267-F292 HydrophobicContact CD1-CB 4Å; L267-F292 HydrophobicContact CD1-CD1 3.92Å; L267-F292 HydrophobicContact CD1-CG 4.32Å; L267-F292 HydrophobicContact CD2-CB 4.05Å; V290-F292 HydrophobicContact CG2-CD1 4.01Å; V290-F292 HydrophobicContact CG2-CE1 4.12Å; F292-V294 HydrophobicContact CD2-CG2 3.76Å; F292-V294 HydrophobicContact CE2-CG2 3.47Å; F292-V294 VanDerWaalsContact CE2-CG2 3.47Å; F292-Q304 VanDerWaalsContact C-NE2 3.3Å; F292-Q304 PolarHBondContact O-NE2 2.9Å; F292-V305 HydrophobicContact CD2-CB 4.1Å; F292-V305 HydrophobicContact CD2-CG2 4.4Å; F292-V305 HydrophobicContact CE1-CB 4.45Å; F292-V305 HydrophobicContact CE1-CG1 4.1Å; F292-V305 HydrophobicContact CE2-CB 3.87Å; F292-V305 HydrophobicContact CE2-CG1 4.14Å; F292-V305 HydrophobicContact CE2-CG2 3.96Å; F292-V305 HydrophobicContact CZ-CB 4.05Å; F292-V305 HydrophobicContact CZ-CG1 3.8Å; F292-V305 HydrophobicContact CZ-CG2 4.42Å; F292-V305 PolarHBondContact N-O 3.32Å; F292-V305 WeakPolarHBondContact O-CA 3.47Å; F292-V305 PolarHBondContact O-N 3.31Å; F292-A308 HydrophobicContact CE1-CB 3.64Å; F292-A308 HydrophobicContact CZ-CB 4.12Å; F292-V348 HydrophobicContact CE2-CG1 4.31Å; F292-V348 HydrophobicContact CZ-CG1 4.22Å
293E98Very high89.6Confident53 Ų5347.8 Ų47.825%0.24829%0.285CS..EExtended strand (participates in β ladder)trans-98139.6173.9-175.4-175.195.500110V235 R236 V302V235-E293 CarbonylContact C-O 3.58Å; V235-E293 WeakPolarHBondContact CA-O 3.22Å; R236-E293 HydrophobicContact CB-CB 4.21Å; R236-E293 WeakPolarHBondContact CD-OE1 3.27Å; R236-E293 IonicContact CZ-OE1 3.21Å; R236-E293 PolarHBondContact N-O 2.67Å; R236-E293 IonicContact NE-OE1 2.84Å; R236-E293 IonicContact NH1-OE1 3.31Å; R236-E293 PolarHBondContact NH1-OE1 3.13Å; R236-E293 PolarHBondContact O-N 3.19Å; E293-V302 HydrophobicContact CG-CG1 3.4Å; E293-V302 VanDerWaalsContact CG-CG1 3.4Å
294V98Very high91.3Very high0 Ų046.3 Ų46.30%028%0.278CS..EExtended strand (participates in β ladder)trans-113.6134.1171.1176.20000108.5I233 M234 F292 V302 L303 V305 L379I233-V294 HydrophobicContact CB-CG1 4.04Å; I233-V294 HydrophobicContact CD1-CG1 3.75Å; I233-V294 HydrophobicContact CD1-CG2 4.29Å; I233-V294 HydrophobicContact CG2-CG1 4.03Å; M234-V294 CarbonylContact O-C 3.54Å; M234-V294 WeakPolarHBondContact O-CA 3.21Å; F292-V294 HydrophobicContact CD2-CG2 3.76Å; F292-V294 HydrophobicContact CE2-CG2 3.47Å; F292-V294 VanDerWaalsContact CE2-CG2 3.47Å; V294-V302 CarbonylContact O-C 3.57Å; V294-V302 WeakPolarHBondContact O-CA 3.38Å; V294-L303 PolarHBondContact N-O 2.85Å; V294-L303 PolarHBondContact O-N 3.19Å; V294-V305 HydrophobicContact CG2-CG2 3.79Å; V294-L379 HydrophobicContact CG1-CD1 4.34Å; V294-L379 HydrophobicContact CG1-CD2 3.91Å
295A97.8Very high92.7Very high0 Ų042.7 Ų42.70%025%0.254CS..EExtended strand (participates in β ladder)trans-129.3150.5173.400000111.5M234 Y301 V302M234-A295 HydrophobicContact CB-CB 4.37Å; M234-A295 PolarHBondContact N-O 3.25Å; M234-A295 PolarHBondContact O-N 3.08Å; A295-Y301 CarbonylContact C-O 3.59Å; A295-Y301 VanDerWaalsContact CA-O 3.28Å; A295-Y301 WeakPolarHBondContact CA-O 3.34Å; A295-V302 HydrophobicContact CB-CG2 4.05Å
296S97.1Very high93.9Very high2 Ų248.7 Ų48.71%0.01427%0.274CS..EExtended strand (participates in β ladder)trans-62.1152.3165.962.50000110.1D298 G299 S300 Y301S296-D298 VanDerWaalsContact CB-OD1 3.26Å; S296-D298 WeakPolarHBondContact CB-OD1 3.46Å; S296-D298 PolarHBondContact O-N 3.13Å; S296-D298 PolarHBondContact OG-OD1 3.27Å; S296-G299 PolarHBondContact O-N 2.87Å; S296-G299 PolarHBondContact OG-N 2.94Å; S296-S300 PolarHBondContact OG-N 2.81Å; S296-S300 PolarHBondContact OG-OG 3.17Å; S296-Y301 PolarHBondContact N-O 3.07Å; S296-Y301 PolarHBondContact OG-N 3.2Å; S296-Y301 PolarHBondContact OG-O 3.11Å
297C94.8Very high94.8Very high65 Ų6549.2 Ų49.244%0.43927%0.268SS..THydrogen-bonded Turntrans-64.3-25.4-179.4-68.30000113.7G299C297-G299 VanDerWaalsContact C-N 3.35Å
298D93.4Very high95.4Very high120 Ų12048 Ų4864%0.64226%0.261SS*.THydrogen-bonded Turntrans-86.9-3.7174.7653.4000113.4S296 S300S296-D298 VanDerWaalsContact CB-OD1 3.26Å; S296-D298 WeakPolarHBondContact CB-OD1 3.46Å; S296-D298 PolarHBondContact O-N 3.13Å; S296-D298 PolarHBondContact OG-OD1 3.27Å; D298-S300 VanDerWaalsContact CG-OG 3.26Å; D298-S300 PolarHBondContact O-N 3.39Å; D298-S300 VanDerWaalsContact OD1-CB 3.32Å; D298-S300 WeakPolarHBondContact OD1-CB 3.44Å; D298-S300 PolarHBondContact OD1-N 2.81Å; D298-S300 PolarHBondContact OD1-OG 2.92Å; D298-S300 PolarHBondContact OD2-OG 3.02Å
299G93.7Very high95.5Very high42 Ų4248 Ų4843%0.43326%0.258SS..SBendtrans733.7-178.300000115.5S296 C297 Y301S296-G299 PolarHBondContact O-N 2.87Å; S296-G299 PolarHBondContact OG-N 2.94Å; C297-G299 VanDerWaalsContact C-N 3.35Å; G299-Y301 VanDerWaalsContact C-N 3.28Å; G299-Y301 PolarHBondContact O-N 3.08Å
300S94.6Very high95.5Very high88 Ų8847.9 Ų47.962%0.61526%0.257SS*.SBendtrans-70.1-21.2-178.566.50000114.4S296 D298S296-S300 PolarHBondContact OG-N 2.81Å; S296-S300 PolarHBondContact OG-OG 3.17Å; D298-S300 VanDerWaalsContact CG-OG 3.26Å; D298-S300 PolarHBondContact O-N 3.39Å; D298-S300 VanDerWaalsContact OD1-CB 3.32Å; D298-S300 WeakPolarHBondContact OD1-CB 3.44Å; D298-S300 PolarHBondContact OD1-N 2.81Å; D298-S300 PolarHBondContact OD1-OG 2.92Å; D298-S300 PolarHBondContact OD2-OG 3.02Å
301Y97Very high95.2Very high47 Ų4749.5 Ų49.518%0.18427%0.267CS..  trans-136.9137.7-179.2-172.7-92.9000111.2A295 S296 G299 L303 V357 P378 L379A295-Y301 CarbonylContact C-O 3.59Å; A295-Y301 VanDerWaalsContact CA-O 3.28Å; A295-Y301 WeakPolarHBondContact CA-O 3.34Å; S296-Y301 PolarHBondContact N-O 3.07Å; S296-Y301 PolarHBondContact OG-N 3.2Å; S296-Y301 PolarHBondContact OG-O 3.11Å; G299-Y301 VanDerWaalsContact C-N 3.28Å; G299-Y301 PolarHBondContact O-N 3.08Å; Y301-L303 HydrophobicContact CE1-CB 3.99Å; Y301-V357 HydrophobicContact CE1-CG1 3.65Å; Y301-P378 VanDerWaalsContact CB-O 3.23Å; Y301-P378 WeakPolarHBondContact CB-O 3.47Å; Y301-P378 HydrophobicContact CD1-CB 3.91Å; Y301-P378 HydrophobicContact CD2-CB 3.61Å; Y301-P378 HydrophobicContact CE1-CB 3.99Å; Y301-P378 HydrophobicContact CE2-CB 3.7Å; Y301-P378 HydrophobicContact CE2-CG 4.46Å; Y301-P378 HydrophobicContact CG-CB 3.71Å; Y301-L379 HydrophobicContact CD1-CD2 3.88Å; Y301-L379 HydrophobicContact CD1-CG 4.33Å; Y301-L379 HydrophobicContact CE1-CD2 4.48Å
302V97.2Very high94.7Very high69 Ų6951 Ų5142%0.41827%0.27SS..EExtended strand (participates in β ladder)trans-135.2137.9179.2-1770000109.4E293 V294 A295E293-V302 HydrophobicContact CG-CG1 3.4Å; E293-V302 VanDerWaalsContact CG-CG1 3.4Å; V294-V302 CarbonylContact O-C 3.57Å; V294-V302 WeakPolarHBondContact O-CA 3.38Å; A295-V302 HydrophobicContact CB-CG2 4.05Å
303L95.8Very high94Very high25 Ų2556.6 Ų56.613%0.13129%0.292CS..EExtended strand (participates in β ladder)trans-132.2129.8177.7173.869000110.3V294 Y301 V305 Y354 V357V294-L303 PolarHBondContact N-O 2.85Å; V294-L303 PolarHBondContact O-N 3.19Å; Y301-L303 HydrophobicContact CE1-CB 3.99Å; L303-V305 HydrophobicContact CD2-CG2 3.89Å; L303-V305 HydrophobicContact CG-CG2 4.19Å; L303-Y354 HydrophobicContact CD1-CD1 3.73Å; L303-Y354 HydrophobicContact CD1-CE1 4.31Å; L303-Y354 HydrophobicContact CD2-CD1 3.72Å; L303-Y354 HydrophobicContact CD2-CE1 4.49Å; L303-Y354 HydrophobicContact CD2-CG 3.83Å; L303-Y354 HydrophobicContact CG-CD1 4.12Å; L303-V357 HydrophobicContact CB-CG1 4.47Å; L303-V357 HydrophobicContact CD2-CG1 3.6Å; L303-V357 HydrophobicContact CG-CG1 4.49Å
304Q97Very high93.3Very high90 Ų9055.2 Ų55.242%0.42129%0.286SS..EExtended strand (participates in β ladder)trans-86.3112.4168.1-172.664.848.700110.5F292 R306 Y354F292-Q304 VanDerWaalsContact C-NE2 3.3Å; F292-Q304 PolarHBondContact O-NE2 2.9Å; Q304-R306 HydrophobicContact CG-CG 4.36Å; Q304-Y354 WeakPolarHBondContact O-CE1 3.36Å
305V96.8Very high92.2Very high0 Ų058.2 Ų58.20%030%0.302CS..EExtended strand (participates in β ladder)trans-90.8127.5173.4-177.70000109.2S291 F292 V294 L303 A308 L350 Y354S291-V305 CarbonylContact C-O 3.59Å; S291-V305 VanDerWaalsContact CA-O 3.26Å; S291-V305 WeakPolarHBondContact CA-O 3.47Å; S291-V305 WeakPolarHBondContact CB-O 3.48Å; F292-V305 HydrophobicContact CD2-CB 4.1Å; F292-V305 HydrophobicContact CD2-CG2 4.4Å; F292-V305 HydrophobicContact CE1-CB 4.45Å; F292-V305 HydrophobicContact CE1-CG1 4.1Å; F292-V305 HydrophobicContact CE2-CB 3.87Å; F292-V305 HydrophobicContact CE2-CG1 4.14Å; F292-V305 HydrophobicContact CE2-CG2 3.96Å; F292-V305 HydrophobicContact CZ-CB 4.05Å; F292-V305 HydrophobicContact CZ-CG1 3.8Å; F292-V305 HydrophobicContact CZ-CG2 4.42Å; F292-V305 PolarHBondContact N-O 3.32Å; F292-V305 WeakPolarHBondContact O-CA 3.47Å; F292-V305 PolarHBondContact O-N 3.31Å; V294-V305 HydrophobicContact CG2-CG2 3.79Å; L303-V305 HydrophobicContact CD2-CG2 3.89Å; L303-V305 HydrophobicContact CG-CG2 4.19Å; V305-A308 HydrophobicContact CG1-CB 3.77Å; V305-L350 HydrophobicContact CG2-CD2 3.87Å; V305-Y354 HydrophobicContact CG1-CE2 3.83Å
306R95Very high91.1Very high179 Ų17959.3 Ų59.368%0.67531%0.307SS*.EExtended strand (participates in β ladder)trans-116.5139.8179.1-60.7-177.1178.2-176.5-0.2110.5S291 Q304 A308 Y354S291-R306 WeakPolarHBondContact OG-CA 3.45Å; Q304-R306 HydrophobicContact CG-CG 4.36Å; R306-A308 PolarHBondContact O-N 3.39Å; R306-A308 VanDerWaalsContact O-N 3.15Å; R306-Y354 PolarHBondContact N-OH 3.07Å; R306-Y354 PolarHBondContact O-OH 2.82Å
307E92.3Very high89.8Confident109 Ų10960 Ų6051%0.50931%0.313SS..EExtended strand (participates in β ladder)trans53.132.6172.6-58.5-166.1113.700115.5K270 A289 V290 S291K270-E307 IonicContact NZ-OE1 2.71Å; K270-E307 PolarHBondContact NZ-OE1 2.84Å; A289-E307 HydrophobicContact CB-CB 4.41Å; V290-E307 CarbonylContact O-C 3.49Å; V290-E307 WeakPolarHBondContact O-CA 3.32Å; V290-E307 PolarHBondContact O-N 3.03Å; S291-E307 PolarHBondContact OG-N 3.11Å
308A94.2Very high88.8Confident1 Ų162.8 Ų62.81%0.00832%0.319CS..EExtended strand (participates in β ladder)trans-66.5139172.100000111S255 A289 V290 F292 V305 R306S255-A308 CarbonylContact O-C 3.58Å; S255-A308 VanDerWaalsContact O-CA 3.3Å; S255-A308 WeakPolarHBondContact O-CA 3.34Å; S255-A308 WeakPolarHBondContact O-CB 3.39Å; A289-A308 CarbonylContact C-O 3.6Å; A289-A308 WeakPolarHBondContact CA-O 3.27Å; V290-A308 PolarHBondContact N-O 3.29Å; V290-A308 PolarHBondContact O-N 3.48Å; F292-A308 HydrophobicContact CE1-CB 3.64Å; F292-A308 HydrophobicContact CZ-CB 4.12Å; V305-A308 HydrophobicContact CG1-CB 3.77Å; R306-A308 PolarHBondContact O-N 3.39Å; R306-A308 VanDerWaalsContact O-N 3.15Å
309F92.4Very high88Confident50 Ų5057.5 Ų57.522%0.21929%0.29CS..EExtended strand (participates in β ladder)trans-82.7141.9-176.8-55.9-60.5000112.4A254 S255 L256 I257 T272 V274 T287 L288 A289A254-F309 HydrophobicContact CB-CD2 3.73Å; A254-F309 HydrophobicContact CB-CE2 3.54Å; S255-F309 PolarHBondContact O-N 3.06Å; L256-F309 CarbonylContact C-O 3.45Å; L256-F309 VanDerWaalsContact CA-O 3.25Å; L256-F309 WeakPolarHBondContact CA-O 3.25Å; L256-F309 HydrophobicContact CD2-CB 3.78Å; L256-F309 HydrophobicContact CD2-CD2 4.14Å; L256-F309 HydrophobicContact CD2-CG 4.48Å; I257-F309 PolarHBondContact N-O 2.83Å; T272-F309 HydrophobicContact CG2-CD1 3.72Å; T272-F309 HydrophobicContact CG2-CE1 3.75Å; V274-F309 HydrophobicContact CG1-CB 4.21Å; V274-F309 HydrophobicContact CG1-CD1 3.39Å; V274-F309 HydrophobicContact CG1-CD2 3.39Å; V274-F309 HydrophobicContact CG1-CE1 3.41Å; V274-F309 VanDerWaalsContact CG1-CE1 3.41Å; V274-F309 HydrophobicContact CG1-CE2 3.4Å; V274-F309 VanDerWaalsContact CG1-CE2 3.4Å; V274-F309 HydrophobicContact CG1-CG 3.38Å; V274-F309 HydrophobicContact CG1-CZ 3.43Å; V274-F309 VanDerWaalsContact CG1-CZ 3.43Å; T287-F309 HydrophobicContact CG2-CB 4.19Å; T287-F309 HydrophobicContact CG2-CD1 3.88Å; T287-F309 HydrophobicContact CG2-CG 4.29Å; L288-F309 CarbonylContact O-C 3.55Å; L288-F309 WeakPolarHBondContact O-CA 3.3Å; A289-F309 HydrophobicContact CB-CD1 4.44Å
310T90.7Very high87.7Confident2 Ų262.5 Ų62.51%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-81.3142.5175.162.80000111.6I257 A262 L269 T287 L288 V290I257-T310 HydrophobicContact CG2-CG2 4.29Å; I257-T310 CarbonylContact O-C 3.52Å; I257-T310 VanDerWaalsContact O-CA 3.24Å; I257-T310 WeakPolarHBondContact O-CA 3.35Å; A262-T310 HydrophobicContact CB-CG2 4.44Å; L269-T310 HydrophobicContact CD2-CG2 4.11Å; T287-T310 PolarHBondContact OG1-O 2.86Å; T287-T310 PolarHBondContact OG1-OG1 3.35Å; L288-T310 HydrophobicContact CB-CG2 3.94Å; L288-T310 WeakPolarHBondContact CB-OG1 3.26Å; L288-T310 PolarHBondContact N-OG1 3.17Å; L288-T310 PolarHBondContact O-N 2.83Å; L288-T310 PolarHBondContact O-OG1 2.83Å; V290-T310 HydrophobicContact CG1-CG2 4.01Å; V290-T310 HydrophobicContact CG2-CG2 4.33Å
311V88.9Confident87.4Confident35 Ų3559.6 Ų59.621%0.21228%0.277CS..EExtended strand (participates in β ladder)trans-136.6149.8172.3-65.30000110.6L256 I257 T258 E259 R313 L314L256-V311 HydrophobicContact CB-CG2 4.43Å; L256-V311 HydrophobicContact CD1-CG1 4.25Å; L256-V311 HydrophobicContact CD2-CG1 4.41Å; I257-V311 PolarHBondContact O-N 3.38Å; T258-V311 CarbonylContact C-O 3.52Å; T258-V311 WeakPolarHBondContact CA-O 3.24Å; E259-V311 PolarHBondContact N-O 2.89Å; V311-R313 VanDerWaalsContact C-N 3.26Å; V311-R313 PolarHBondContact O-N 3.16Å; V311-L314 HydrophobicContact CG2-CD2 3.95Å; V311-L314 HydrophobicContact CG2-CG 4.26Å
312N85.7Confident87.2Confident90 Ų9059.6 Ų59.648%0.48129%0.286SS..SBendtrans-66.2-32.2179-44.134.6000112.1E259E259-N312 PolarHBondContact OE1-OD1 3.33Å
313R83.8Confident87Confident122 Ų12256.6 Ų56.646%0.4627%0.269SS..  trans-162.8143.1-177-171.8173.9-179.1-163.6-6.4111.4V311 H318V311-R313 VanDerWaalsContact C-N 3.26Å; V311-R313 PolarHBondContact O-N 3.16Å; R313-H318 PolarHBondContact NH2-CE1 2.99Å; R313-H318 PolarHBondContact NH2-NE2 2.86Å
314L83.3Confident86.9Confident23 Ų2359.9 Ų59.912%0.1229%0.292CS..  trans-89.5111.9164.8-63.8170.3000108.7L256 T258 V311 L316 V346 L349L256-L314 HydrophobicContact CB-CD2 4.38Å; L256-L314 HydrophobicContact CD1-CD2 4.1Å; T258-L314 HydrophobicContact CG2-CG 4.38Å; V311-L314 HydrophobicContact CG2-CD2 3.95Å; V311-L314 HydrophobicContact CG2-CG 4.26Å; L314-L316 VanDerWaalsContact C-N 3.29Å; L314-L316 HydrophobicContact CB-CG 4.49Å; L314-L316 PolarHBondContact O-N 3.35Å; L314-V346 HydrophobicContact CD1-CG1 3.84Å; L314-L349 HydrophobicContact CD1-CB 4.29Å; L314-L349 HydrophobicContact CD2-CB 4.26Å
315N73.9Confident86.6Confident64 Ų6458.2 Ų58.234%0.34229%0.293SS..  trans-83.469-173.9-68.1-34.8000111.5Q216Q216-N315 PolarHBondContact OE1-ND2 3.09Å
316L76.6Confident86.4Confident22 Ų2258.3 Ų58.312%0.11530%0.295CS..  trans-91.5163.4176.8-56.6-177.4000112.1L228 L247 L314 V346L228-L316 HydrophobicContact CD1-CD2 4.1Å; L247-L316 HydrophobicContact CB-CD1 4.42Å; L247-L316 HydrophobicContact CD2-CD1 4.07Å; L247-L316 HydrophobicContact CD2-CD2 3.8Å; L314-L316 VanDerWaalsContact C-N 3.29Å; L314-L316 HydrophobicContact CB-CG 4.49Å; L314-L316 PolarHBondContact O-N 3.35Å; L316-V346 HydrophobicContact CD1-CB 3.65Å; L316-V346 HydrophobicContact CD1-CG1 3.8Å; L316-V346 HydrophobicContact CD1-CG2 3.71Å
317S69.2Low86.3Confident18 Ų1853 Ų5313%0.12628%0.276CS..  trans-62.7139.5176.467.90000110.8R319 C343 Q399S317-R319 VanDerWaalsContact C-N 3.26Å; S317-R319 PolarHBondContact O-N 2.86Å; S317-R319 VanDerWaalsContact OG-CD 3.32Å; S317-R319 WeakPolarHBondContact OG-CD 3.2Å; S317-R319 WeakPolarHBondContact OG-CG 3.37Å; S317-R319 PolarHBondContact OG-NE 2.81Å; S317-C343 WeakPolarHBondContact O-CB 3.31Å; S317-Q399 VanDerWaalsContact CA-OE1 3.26Å
318H73.4Confident86.4Confident122 Ų12252.1 Ų52.157%0.56529%0.288SS*.  trans-74.476177.8-73-88.8000111.3R313 S344R313-H318 PolarHBondContact NH2-CE1 2.99Å; R313-H318 PolarHBondContact NH2-NE2 2.86Å; H318-S344 WeakPolarHBondContact ND1-CB 3.44Å
319R77.5Confident86.2Confident10 Ų1056.4 Ų56.44%0.03831%0.314CS..  trans-120.6137.2-177.9-66.2-176.1-174.2-176.512.6111.4A225 I226 S317 C343 L395 A397A225-R319 VanDerWaalsContact C-NH1 3.27Å; A225-R319 VanDerWaalsContact CB-CZ 3.43Å; I226-R319 PolarHBondContact O-NH1 2.84Å; S317-R319 VanDerWaalsContact C-N 3.26Å; S317-R319 PolarHBondContact O-N 2.86Å; S317-R319 VanDerWaalsContact OG-CD 3.32Å; S317-R319 WeakPolarHBondContact OG-CD 3.2Å; S317-R319 WeakPolarHBondContact OG-CG 3.37Å; S317-R319 PolarHBondContact OG-NE 2.81Å; R319-C343 HydrophobicContact CB-CB 4.34Å; R319-C343 WeakPolarHBondContact O-CB 3.14Å; R319-C343 PolarHBondContact O-N 2.89Å; R319-L395 HydrophobicContact CG-CD2 4.05Å; R319-A397 PolarHBondContact NH2-O 3.19Å
320K87.4Confident86.2Confident147 Ų14755.7 Ų55.764%0.63931%0.31SS*.EExtended strand (participates in β ladder)trans-122.1137174.3-56.8-163.9-174.8-155.80109.1V341 N342K320-V341 CarbonylContact C-O 3.53Å; K320-V341 VanDerWaalsContact CA-O 3.28Å; K320-V341 WeakPolarHBondContact CA-O 3.44Å; K320-N342 HydrophobicContact CD-CB 4.47Å; K320-N342 WeakPolarHBondContact CE-ND2 3.4Å; K320-N342 HydrophobicContact CG-CB 4.24Å; K320-N342 PolarHBondContact NZ-ND2 2.76Å; K320-N342 VanDerWaalsContact NZ-ND2 3.11Å
321I88.5Confident86.3Confident26 Ų2660.6 Ų60.613%0.13334%0.342CS..EExtended strand (participates in β ladder)trans-120.7117.5172.8-52.9176.8000106.6L227 A326 D340 V341 L383L227-I321 HydrophobicContact CD1-CD1 3.45Å; L227-I321 VanDerWaalsContact CD1-CD1 3.45Å; L227-I321 HydrophobicContact CD2-CD1 3.67Å; L227-I321 HydrophobicContact CD2-CG1 4.29Å; L227-I321 HydrophobicContact CG-CD1 4.13Å; I321-A326 HydrophobicContact CG2-CB 3.9Å; I321-D340 WeakPolarHBondContact O-CA 3.34Å; I321-V341 PolarHBondContact N-O 2.94Å; I321-V341 PolarHBondContact O-N 2.9Å; I321-L383 HydrophobicContact CD1-CB 4.45Å; I321-L383 HydrophobicContact CD1-CD1 4.22Å; I321-L383 HydrophobicContact CG2-CD1 4.08Å
322A92.1Very high86.5Confident47 Ų4760.5 Ų60.539%0.38834%0.339SS..  trans-85.8124.3166.800000108.4A325 A326 D340A322-A325 HydrophobicContact CB-CB 4.2Å; A322-A325 PolarHBondContact O-N 3.03Å; A322-A325 VanDerWaalsContact O-N 3.15Å; A322-A326 PolarHBondContact O-N 3.04Å; A322-D340 WeakPolarHBondContact CA-OD1 3.5Å
323A92.9Very high87Confident7 Ų756.2 Ų56.26%0.05832%0.316CS..Hα-helixtrans-56-42.9-179.600000112.8A325 A326 K327 L338 D340A323-A325 VanDerWaalsContact C-N 3.32Å; A323-A325 PolarHBondContact O-N 3.24Å; A323-A326 PolarHBondContact O-N 2.96Å; A323-K327 WeakPolarHBondContact O-CG 3.47Å; A323-K327 PolarHBondContact O-N 3.26Å; A323-L338 HydrophobicContact CB-CB 3.9Å; A323-L338 VanDerWaalsContact CB-O 3.27Å; A323-L338 WeakPolarHBondContact CB-O 3.11Å; A323-D340 WeakPolarHBondContact CB-OD1 3.37Å; A323-D340 PolarHBondContact N-OD1 3.12Å
324P93.8Very high87.5Confident94 Ų9452.9 Ų52.961%0.6132%0.315SS*.Hα-helixtrans-59.7-41.7176.3-24.835000112.9K327 A328P324-K327 PolarHBondContact O-N 2.82Å; P324-A328 WeakPolarHBondContact O-CB 3.36Å; P324-A328 PolarHBondContact O-N 3.42Å
325A91.1Very high88.1Confident54 Ų5456.6 Ų56.645%0.44634%0.335SS..Hα-helixtrans-68.5-39.6178.500000111.8A322 A323 A328 T329A322-A325 HydrophobicContact CB-CB 4.2Å; A322-A325 PolarHBondContact O-N 3.03Å; A322-A325 VanDerWaalsContact O-N 3.15Å; A323-A325 VanDerWaalsContact C-N 3.32Å; A323-A325 PolarHBondContact O-N 3.24Å; A325-A328 PolarHBondContact O-N 3.14Å; A325-T329 WeakPolarHBondContact O-CB 3.4Å; A325-T329 PolarHBondContact O-N 3.44Å; A325-T329 PolarHBondContact O-OG1 3.24Å
326A91.9Very high89.1Confident3 Ų353.7 Ų53.73%0.02532%0.319CS..Hα-helixtrans-61-48.3175.100000111.8I321 A322 A323 A328 T329 W330 L338 L383I321-A326 HydrophobicContact CG2-CB 3.9Å; A322-A326 PolarHBondContact O-N 3.04Å; A323-A326 PolarHBondContact O-N 2.96Å; A326-A328 VanDerWaalsContact C-N 3.34Å; A326-A328 PolarHBondContact O-N 2.71Å; A326-T329 PolarHBondContact O-N 3.43Å; A326-T329 VanDerWaalsContact O-N 3.13Å; A326-W330 HydrophobicContact CB-CE3 3.76Å; A326-W330 HydrophobicContact CB-CZ3 3.5Å; A326-W330 PolarHBondContact O-N 3.11Å; A326-L338 HydrophobicContact CB-CD1 4.27Å; A326-L383 HydrophobicContact CB-CD1 4.06Å
327K93.7Very high89.9Confident67 Ų6756.7 Ų56.729%0.29134%0.34SS..Hα-helixtrans-61.7-39.3178.1-70.5-178.7177.7-150.20113A323 P324 T329 V336 L338A323-K327 WeakPolarHBondContact O-CG 3.47Å; A323-K327 PolarHBondContact O-N 3.26Å; P324-K327 PolarHBondContact O-N 2.82Å; K327-T329 VanDerWaalsContact C-N 3.31Å; K327-V336 WeakPolarHBondContact CE-O 3.3Å; K327-V336 PolarHBondContact NZ-O 3.21Å; K327-L338 HydrophobicContact CG-CD1 4.39Å
328A92.5Very high91Very high91 Ų9156.6 Ų56.675%0.75234%0.338SS*.Hα-helixtrans-69.6-29.4175.700000112.9P324 A325 A326P324-A328 WeakPolarHBondContact O-CB 3.36Å; P324-A328 PolarHBondContact O-N 3.42Å; A325-A328 PolarHBondContact O-N 3.14Å; A326-A328 VanDerWaalsContact C-N 3.34Å; A326-A328 PolarHBondContact O-N 2.71Å
329T90.6Very high92Very high91 Ų9155 Ų5556%0.55833%0.334SS*.Hα-helixtrans-85.7-35.8-176-55.60000112.7A325 A326 K327A325-T329 WeakPolarHBondContact O-CB 3.4Å; A325-T329 PolarHBondContact O-N 3.44Å; A325-T329 PolarHBondContact O-OG1 3.24Å; A326-T329 PolarHBondContact O-N 3.43Å; A326-T329 VanDerWaalsContact O-N 3.13Å; K327-T329 VanDerWaalsContact C-N 3.31Å
330W92Very high92.8Very high34 Ų3458.9 Ų58.913%0.12936%0.355CS..  trans-120.4104.7-171.1-60.7-47.3000111.2A326 H332 V333 P372 L383 I387A326-W330 HydrophobicContact CB-CE3 3.76Å; A326-W330 HydrophobicContact CB-CZ3 3.5Å; A326-W330 PolarHBondContact O-N 3.11Å; W330-H332 VanDerWaalsContact C-N 3.26Å; W330-H332 PolarHBondContact O-N 2.92Å; W330-H332 VanDerWaalsContact O-N 3.17Å; W330-V333 HydrophobicContact CB-CG1 4.32Å; W330-V333 HydrophobicContact CB-CG2 3.85Å; W330-V333 HydrophobicContact CE3-CG2 4.29Å; W330-V333 WeakPolarHBondContact O-CG2 3.16Å; W330-V333 PolarHBondContact O-N 3.05Å; W330-P372 HydrophobicContact CD2-CG 3.69Å; W330-P372 HydrophobicContact CE3-CG 3.77Å; W330-P372 HydrophobicContact CG-CG 4.47Å; W330-P372 HydrophobicContact CH2-CG 3.66Å; W330-P372 HydrophobicContact CZ2-CG 3.56Å; W330-P372 HydrophobicContact CZ3-CG 3.77Å; W330-L383 HydrophobicContact CE3-CD1 4.19Å; W330-L383 HydrophobicContact CZ3-CD1 3.62Å; W330-I387 HydrophobicContact CH2-CG2 3.98Å; W330-I387 HydrophobicContact CZ2-CG2 3.72Å
331P92.9Very high93Very high106 Ų10652.7 Ų52.769%0.68833%0.329SS*.G310 helixtrans-57.6-34.1-175.4-28.535.7000114.5V333 A334P331-V333 PolarHBondContact O-N 2.97Å; P331-A334 WeakPolarHBondContact O-CB 3.28Å; P331-A334 PolarHBondContact O-N 3.01Å
332H94.9Very high93.1Very high33 Ų3351.7 Ų51.715%0.15333%0.325CS..G310 helixtrans-73.5-3.2-179.563.8-75.3000114.4W330 P372W330-H332 VanDerWaalsContact C-N 3.26Å; W330-H332 PolarHBondContact O-N 2.92Å; W330-H332 VanDerWaalsContact O-N 3.17Å; H332-P372 PolarHBondContact NE2-O 3.09Å
333V95Very high92.8Very high0 Ų050 Ų500%031%0.309CS..G310 helixtrans-118.14.6175.5-41.30000113W330 P331 D335 V336 L338 A374 L383W330-V333 HydrophobicContact CB-CG1 4.32Å; W330-V333 HydrophobicContact CB-CG2 3.85Å; W330-V333 HydrophobicContact CE3-CG2 4.29Å; W330-V333 WeakPolarHBondContact O-CG2 3.16Å; W330-V333 PolarHBondContact O-N 3.05Å; P331-V333 PolarHBondContact O-N 2.97Å; V333-D335 VanDerWaalsContact C-N 3.31Å; V333-D335 PolarHBondContact O-N 3.38Å; V333-V336 HydrophobicContact CB-CB 4.42Å; V333-V336 HydrophobicContact CB-CG2 4.25Å; V333-V336 WeakPolarHBondContact O-CB 3.49Å; V333-V336 PolarHBondContact O-N 3.33Å; V333-V336 VanDerWaalsContact O-N 3.11Å; V333-L338 HydrophobicContact CB-CD1 4.05Å; V333-L338 HydrophobicContact CG2-CD1 3.76Å; V333-A374 HydrophobicContact CB-CB 4.49Å; V333-A374 HydrophobicContact CG1-CB 3.83Å; V333-L383 HydrophobicContact CG1-CD2 4.03Å
334A94.5Very high92.4Very high52 Ų5251.7 Ų51.743%0.4332%0.321SS..THydrogen-bonded Turntrans-60.8-38.5-173.800000113P331P331-A334 WeakPolarHBondContact O-CB 3.28Å; P331-A334 PolarHBondContact O-N 3.01Å
335D95.2Very high92.2Very high101 Ų10151.7 Ų51.754%0.5431%0.313SS..THydrogen-bonded Turntrans-84.1-10.7178.363-38.2000113.6V333 R364V333-D335 VanDerWaalsContact C-N 3.31Å; V333-D335 PolarHBondContact O-N 3.38Å; D335-R364 IonicContact OD1-NH1 3.68Å; D335-R364 IonicContact OD2-CZ 2.61Å; D335-R364 IonicContact OD2-NH1 2.84Å; D335-R364 PolarHBondContact OD2-NH1 2.73Å; D335-R364 IonicContact OD2-NH2 2.79Å
336V94.8Very high92.4Very high2 Ų249.4 Ų49.41%0.01229%0.294CS..SBendtrans-76.8131.9-173.9178.90000110.7K327 V333 L338 R364 A374 W381K327-V336 WeakPolarHBondContact CE-O 3.3Å; K327-V336 PolarHBondContact NZ-O 3.21Å; V333-V336 HydrophobicContact CB-CB 4.42Å; V333-V336 HydrophobicContact CB-CG2 4.25Å; V333-V336 WeakPolarHBondContact O-CB 3.49Å; V333-V336 PolarHBondContact O-N 3.33Å; V333-V336 VanDerWaalsContact O-N 3.11Å; V336-L338 HydrophobicContact CB-CD2 4.47Å; V336-L338 HydrophobicContact CB-CG 4.11Å; V336-L338 HydrophobicContact CG1-CD2 3.67Å; V336-L338 HydrophobicContact CG1-CG 3.76Å; V336-L338 PolarHBondContact O-N 3.48Å; V336-R364 HydrophobicContact CG2-CG 4.24Å; V336-A374 HydrophobicContact CG2-CB 4.41Å; V336-W381 HydrophobicContact CG1-CB 3.99Å; V336-W381 HydrophobicContact CG1-CD2 3.3Å; V336-W381 HydrophobicContact CG1-CE3 3.46Å; V336-W381 VanDerWaalsContact CG1-CE3 3.46Å; V336-W381 HydrophobicContact CG1-CG 3.57Å; V336-W381 HydrophobicContact CG1-CH2 4.36Å; V336-W381 HydrophobicContact CG1-CZ2 4.24Å; V336-W381 HydrophobicContact CG1-CZ3 4.01Å; V336-W381 HydrophobicContact CG2-CH2 4.28Å; V336-W381 HydrophobicContact CG2-CZ3 4.25Å
337P94.1Very high92.6Very high85 Ų8551.1 Ų51.155%0.55230%0.301SS*.  trans-74.671.8174.931.3-34.5000111.5
338L93.4Very high92.8Very high17 Ų1748 Ų489%0.08929%0.287CS..PPolyproline II helixtrans-77.2143.4177.6-66.4176.2000112.2A323 A326 K327 V333 V336 W381 L383A323-L338 HydrophobicContact CB-CB 3.9Å; A323-L338 VanDerWaalsContact CB-O 3.27Å; A323-L338 WeakPolarHBondContact CB-O 3.11Å; A326-L338 HydrophobicContact CB-CD1 4.27Å; K327-L338 HydrophobicContact CG-CD1 4.39Å; V333-L338 HydrophobicContact CB-CD1 4.05Å; V333-L338 HydrophobicContact CG2-CD1 3.76Å; V336-L338 HydrophobicContact CB-CD2 4.47Å; V336-L338 HydrophobicContact CB-CG 4.11Å; V336-L338 HydrophobicContact CG1-CD2 3.67Å; V336-L338 HydrophobicContact CG1-CG 3.76Å; V336-L338 PolarHBondContact O-N 3.48Å; L338-W381 HydrophobicContact CD2-CB 4.07Å; L338-L383 HydrophobicContact CD1-CD1 4.07Å; L338-L383 HydrophobicContact CD1-CD2 4.2Å; L338-L383 HydrophobicContact CD1-CG 4.27Å; L338-L383 HydrophobicContact CD2-CD2 4.29Å; L338-L383 HydrophobicContact CD2-CG 4.13Å
339N93Very high93Very high89 Ų8944.2 Ų44.248%0.47625%0.254SS..PPolyproline II helixtrans-100.9159.1169.7-69.8-47000111.2P232P232-N339 HydrophobicContact CG-CB 3.65Å
340D93.7Very high93.3Very high90 Ų9039.9 Ų39.948%0.48123%0.228SC..PPolyproline II helixtrans-66.3135169-74.4-0.6000110.3Y245 I321 A322 A323Y245-D340 VanDerWaalsContact CE1-O 3.31Å; Y245-D340 WeakPolarHBondContact CE1-O 3.49Å; Y245-D340 PolarHBondContact OH-O 3.02Å; I321-D340 WeakPolarHBondContact O-CA 3.34Å; A322-D340 WeakPolarHBondContact CA-OD1 3.5Å; A323-D340 WeakPolarHBondContact CB-OD1 3.37Å; A323-D340 PolarHBondContact N-OD1 3.12Å
341V92.3Very high93.4Very high17 Ų1738.2 Ų38.210%0.10322%0.222CC..EExtended strand (participates in β ladder)trans-123.8131.6-178.4174.70000110.6V230 Y245 K320 I321V230-V341 HydrophobicContact CB-CG1 3.88Å; V230-V341 HydrophobicContact CG1-CG1 3.56Å; Y245-V341 HydrophobicContact CD1-CG1 4.45Å; Y245-V341 HydrophobicContact CE1-CB 4.43Å; Y245-V341 HydrophobicContact CE1-CG2 4.39Å; K320-V341 CarbonylContact C-O 3.53Å; K320-V341 VanDerWaalsContact CA-O 3.28Å; K320-V341 WeakPolarHBondContact CA-O 3.44Å; I321-V341 PolarHBondContact N-O 2.94Å; I321-V341 PolarHBondContact O-N 2.9Å
342N90.6Very high93.4Very high6 Ų636.1 Ų36.13%0.03220%0.204CC..EExtended strand (participates in β ladder)trans-123.1101.6172.9-176.3-2.2000110.6Y245 K320 S344 E345Y245-N342 HydrophobicContact CE2-CB 4.05Å; K320-N342 HydrophobicContact CD-CB 4.47Å; K320-N342 WeakPolarHBondContact CE-ND2 3.4Å; K320-N342 HydrophobicContact CG-CB 4.24Å; K320-N342 PolarHBondContact NZ-ND2 2.76Å; K320-N342 VanDerWaalsContact NZ-ND2 3.11Å; N342-S344 PolarHBondContact O-N 3.24Å; N342-S344 VanDerWaalsContact O-N 3.07Å; N342-S344 WeakPolarHBondContact OD1-CB 3.45Å; N342-S344 PolarHBondContact OD1-N 3.08Å; N342-S344 VanDerWaalsContact OD1-N 3.08Å; N342-S344 PolarHBondContact OD1-OG 3.15Å; N342-E345 HydrophobicContact CB-CB 4.32Å; N342-E345 HydrophobicContact CB-CG 4.46Å; N342-E345 WeakPolarHBondContact ND2-CG 3.45Å; N342-E345 PolarHBondContact ND2-OE1 3.4Å; N342-E345 PolarHBondContact ND2-OE2 3.3Å; N342-E345 PolarHBondContact O-N 3.43Å
343C85.2Confident93.3Very high10 Ų1038 Ų387%0.06822%0.215CC..G310 helixtrans-61.3-20.7-179.5-61.80000113.4S317 R319 E345 V346S317-C343 WeakPolarHBondContact O-CB 3.31Å; R319-C343 HydrophobicContact CB-CB 4.34Å; R319-C343 WeakPolarHBondContact O-CB 3.14Å; R319-C343 PolarHBondContact O-N 2.89Å; C343-E345 VanDerWaalsContact C-N 3.28Å; C343-V346 WeakPolarHBondContact O-CG2 3.32Å
344S84.6Confident93.3Very high44 Ų4439.9 Ų39.931%0.30822%0.223SC..G310 helixtrans-78.1-11.4176.467.70000114.3H318 N342H318-S344 WeakPolarHBondContact ND1-CB 3.44Å; N342-S344 PolarHBondContact O-N 3.24Å; N342-S344 VanDerWaalsContact O-N 3.07Å; N342-S344 WeakPolarHBondContact OD1-CB 3.45Å; N342-S344 PolarHBondContact OD1-N 3.08Å; N342-S344 VanDerWaalsContact OD1-N 3.08Å; N342-S344 PolarHBondContact OD1-OG 3.15Å
345E91.1Very high93.2Very high93 Ų9343.8 Ų43.844%0.43523%0.23SC..G310 helixtrans-107.310.6179.3-73.6167.4-166.600112.3T244 Y245 N342 C343 Q347T244-E345 PolarHBondContact OG1-O 3.02Å; Y245-E345 HydrophobicContact CD2-CB 3.81Å; Y245-E345 HydrophobicContact CE2-CB 3.96Å; N342-E345 HydrophobicContact CB-CB 4.32Å; N342-E345 HydrophobicContact CB-CG 4.46Å; N342-E345 WeakPolarHBondContact ND2-CG 3.45Å; N342-E345 PolarHBondContact ND2-OE1 3.4Å; N342-E345 PolarHBondContact ND2-OE2 3.3Å; N342-E345 PolarHBondContact O-N 3.43Å; C343-E345 VanDerWaalsContact C-N 3.28Å; E345-Q347 PolarHBondContact O-N 3.46Å
346V94.1Very high93.1Very high7 Ų743.1 Ų43.14%0.04222%0.223CC..EExtended strand (participates in β ladder)trans-67122.9173.5179.50000109.5V230 L247 L314 L316 C343 V348V230-V346 HydrophobicContact CG1-CG2 3.64Å; V230-V346 HydrophobicContact CG2-CG2 4.21Å; L247-V346 HydrophobicContact CB-CG1 3.94Å; L314-V346 HydrophobicContact CD1-CG1 3.84Å; L316-V346 HydrophobicContact CD1-CB 3.65Å; L316-V346 HydrophobicContact CD1-CG1 3.8Å; L316-V346 HydrophobicContact CD1-CG2 3.71Å; C343-V346 WeakPolarHBondContact O-CG2 3.32Å; V346-V348 VanDerWaalsContact CG1-O 3.31Å; V346-V348 WeakPolarHBondContact CG1-O 3.19Å
347Q96.6Very high93.2Very high39 Ų3943 Ų4318%0.18222%0.223CC..EExtended strand (participates in β ladder)trans-120.5-8.1-179-64.8-175.9-6200113.5T244 Y245 I257 T258 D260 L261 E345T244-Q347 HydrophobicContact CG2-CB 4.48Å; T244-Q347 WeakPolarHBondContact OG1-CB 3.49Å; T244-Q347 WeakPolarHBondContact OG1-CG 3.35Å; T244-Q347 PolarHBondContact OG1-OE1 3.3Å; Y245-Q347 PolarHBondContact O-N 3.41Å; Y245-Q347 VanDerWaalsContact O-N 3.16Å; I257-Q347 CarbonylContact C-O 3.57Å; I257-Q347 WeakPolarHBondContact CA-O 3.49Å; T258-Q347 HydrophobicContact CG2-CB 4.11Å; T258-Q347 HydrophobicContact CG2-CG 4.33Å; T258-Q347 PolarHBondContact N-O 2.98Å; T258-Q347 WeakPolarHBondContact OG1-CB 3.43Å; D260-Q347 PolarHBondContact OD2-NE2 3.45Å; L261-Q347 HydrophobicContact CB-CB 4.2Å; L261-Q347 HydrophobicContact CD2-CB 3.69Å; E345-Q347 PolarHBondContact O-N 3.46Å
348V97.5Very high93.2Very high0 Ų040.4 Ų40.40%020%0.204CC..EExtended strand (participates in β ladder)trans-125.9139.6177.1179.70000109.4I233 V235 T244 Y245 A246 L247 L256 I257 L261 F292 V346 L350I233-V348 HydrophobicContact CD1-CB 4.17Å; I233-V348 HydrophobicContact CD1-CG1 4.41Å; I233-V348 HydrophobicContact CD1-CG2 4.15Å; V235-V348 HydrophobicContact CG2-CG2 4.05Å; T244-V348 HydrophobicContact CG2-CG2 4.13Å; Y245-V348 PolarHBondContact O-N 2.89Å; A246-V348 CarbonylContact C-O 3.54Å; A246-V348 VanDerWaalsContact CA-O 3.28Å; A246-V348 WeakPolarHBondContact CA-O 3.31Å; A246-V348 HydrophobicContact CB-CB 4.19Å; A246-V348 HydrophobicContact CB-CG1 4.31Å; L247-V348 PolarHBondContact N-O 3.37Å; L256-V348 CarbonylContact O-C 3.47Å; L256-V348 WeakPolarHBondContact O-CA 3.29Å; I257-V348 HydrophobicContact CD1-CG2 4.47Å; I257-V348 HydrophobicContact CG1-CG2 4.24Å; L261-V348 HydrophobicContact CD2-CG2 3.85Å; F292-V348 HydrophobicContact CE2-CG1 4.31Å; F292-V348 HydrophobicContact CZ-CG1 4.22Å; V346-V348 VanDerWaalsContact CG1-O 3.31Å; V346-V348 WeakPolarHBondContact CG1-O 3.19Å; V348-L350 HydrophobicContact CG1-CD2 3.94Å; V348-L350 HydrophobicContact CG1-CG 4.11Å
349L96.5Very high93.3Very high12 Ų1244.4 Ų44.46%0.06322%0.217CC..EExtended strand (participates in β ladder)trans-119.1126.8165.6-179157.6000107.1L247 D249 A254 S255 L256 L314L247-L349 HydrophobicContact CD2-CD1 4.05Å; L247-L349 HydrophobicContact CD2-CG 4.47Å; L247-L349 CarbonylContact O-C 3.47Å; L247-L349 WeakPolarHBondContact O-CA 3.28Å; D249-L349 HydrophobicContact CB-CD1 4.02Å; D249-L349 HydrophobicContact CB-CD2 4.05Å; D249-L349 HydrophobicContact CB-CG 3.98Å; A254-L349 WeakPolarHBondContact O-CD2 3.48Å; S255-L349 CarbonylContact C-O 3.5Å; S255-L349 WeakPolarHBondContact CA-O 3.39Å; S255-L349 WeakPolarHBondContact CB-O 3.19Å; L256-L349 HydrophobicContact CB-CB 4.07Å; L256-L349 HydrophobicContact CD1-CD1 4.24Å; L256-L349 HydrophobicContact CG-CB 4.39Å; L256-L349 HydrophobicContact CG-CD2 4.39Å; L256-L349 PolarHBondContact N-O 3.18Å; L256-L349 PolarHBondContact O-N 2.87Å; L314-L349 HydrophobicContact CD1-CB 4.29Å; L314-L349 HydrophobicContact CD2-CB 4.26Å
350L97.1Very high93.4Very high0 Ų045.5 Ų45.50%022%0.219CC..EExtended strand (participates in β ladder)trans-103.5114.2173.4-62.6176.3000108.4A246 L247 L248 D249 V305 V348 V357 H358 L379A246-L350 HydrophobicContact CB-CD1 4.37Å; L247-L350 PolarHBondContact O-N 2.88Å; L248-L350 HydrophobicContact CD2-CB 3.94Å; L248-L350 HydrophobicContact CD2-CD1 3.9Å; L248-L350 HydrophobicContact CD2-CG 4.38Å; D249-L350 PolarHBondContact N-O 2.88Å; V305-L350 HydrophobicContact CG2-CD2 3.87Å; V348-L350 HydrophobicContact CG1-CD2 3.94Å; V348-L350 HydrophobicContact CG1-CG 4.11Å; L350-V357 HydrophobicContact CB-CG2 4.24Å; L350-V357 HydrophobicContact CD1-CG2 4.07Å; L350-H358 PolarHBondContact O-CE1 3.01Å; L350-H358 VanDerWaalsContact O-CE1 3.31Å; L350-H358 PolarHBondContact O-NE2 3.28Å; L350-L379 HydrophobicContact CD1-CD1 3.84Å
351G93.6Very high93.5Very high0 Ų044.9 Ų44.90%022%0.216CC..  trans-78.5177.9178.500000112S252 S255 D353 Y354 H358S252-G351 CarbonylContact O-C 3.59Å; S252-G351 WeakPolarHBondContact O-CA 3.2Å; S255-G351 PolarHBondContact OG-N 3.39Å; G351-D353 WeakPolarHBondContact CA-OD1 3.38Å; G351-D353 PolarHBondContact N-OD1 3.39Å; G351-D353 PolarHBondContact O-N 3.03Å; G351-D353 VanDerWaalsContact O-OD1 3.11Å; G351-Y354 PolarHBondContact O-N 3.43Å; G351-H358 VanDerWaalsContact C-NE2 3.34Å; G351-H358 PolarHBondContact O-NE2 3.01Å
352I93Very high93.8Very high61 Ų6146.9 Ų46.931%0.31322%0.224SC..G310 helixtrans-69.3-9.6176.2-156.659.5000112.8S252 Y354 F355S252-I352 PolarHBondContact O-N 3.04Å; I352-Y354 PolarHBondContact O-N 2.94Å; I352-F355 HydrophobicContact CD1-CD2 3.82Å; I352-F355 HydrophobicContact CD1-CE2 4.42Å; I352-F355 HydrophobicContact CG1-CD2 4.37Å; I352-F355 PolarHBondContact O-N 3.33Å
353D92.6Very high94Very high73 Ų7350.3 Ų50.339%0.3924%0.241SC..G310 helixtrans-56.2-25.1168.356.1-23.8000112.8E253 S255 G351E253-D353 WeakPolarHBondContact O-CB 3.37Å; S255-D353 PolarHBondContact N-OD2 3.2Å; S255-D353 VanDerWaalsContact N-OD2 3.11Å; S255-D353 PolarHBondContact OG-OD1 3.04Å; S255-D353 PolarHBondContact OG-OD2 3.18Å; G351-D353 WeakPolarHBondContact CA-OD1 3.38Å; G351-D353 PolarHBondContact N-OD1 3.39Å; G351-D353 PolarHBondContact O-N 3.03Å; G351-D353 VanDerWaalsContact O-OD1 3.11Å
354Y94.7Very high94.6Very high40 Ų4053.8 Ų53.816%0.15725%0.253CS..G310 helixtrans-110.861.8170.6-63.1-82000111.6S255 L303 Q304 V305 R306 G351 I352 E356 V357 H358S255-Y354 VanDerWaalsContact OG-CD2 3.23Å; S255-Y354 WeakPolarHBondContact OG-CD2 3.44Å; S255-Y354 WeakPolarHBondContact OG-CE2 3.48Å; L303-Y354 HydrophobicContact CD1-CD1 3.73Å; L303-Y354 HydrophobicContact CD1-CE1 4.31Å; L303-Y354 HydrophobicContact CD2-CD1 3.72Å; L303-Y354 HydrophobicContact CD2-CE1 4.49Å; L303-Y354 HydrophobicContact CD2-CG 3.83Å; L303-Y354 HydrophobicContact CG-CD1 4.12Å; Q304-Y354 WeakPolarHBondContact O-CE1 3.36Å; V305-Y354 HydrophobicContact CG1-CE2 3.83Å; R306-Y354 PolarHBondContact N-OH 3.07Å; R306-Y354 PolarHBondContact O-OH 2.82Å; G351-Y354 PolarHBondContact O-N 3.43Å; I352-Y354 PolarHBondContact O-N 2.94Å; Y354-E356 PolarHBondContact O-N 2.96Å; Y354-V357 WeakPolarHBondContact O-CG2 3.46Å; Y354-V357 PolarHBondContact O-N 3.13Å; Y354-V357 VanDerWaalsContact O-N 3.11Å; Y354-H358 PolarHBondContact O-CD2 2.94Å
355F93.5Very high95Very high133 Ų13355.1 Ų55.158%0.58326%0.262SS*.G310 helixtrans-45.5-40.7-175.6-175.1-95.9000114.7I352 V357 H358I352-F355 HydrophobicContact CD1-CD2 3.82Å; I352-F355 HydrophobicContact CD1-CE2 4.42Å; I352-F355 HydrophobicContact CG1-CD2 4.37Å; I352-F355 PolarHBondContact O-N 3.33Å; F355-V357 VanDerWaalsContact C-N 3.27Å; F355-V357 PolarHBondContact O-N 3.43Å; F355-H358 WeakPolarHBondContact O-CB 3.26Å; F355-H358 PolarHBondContact O-N 3.09Å
356E93.9Very high95.1Very high87 Ų8751.6 Ų51.641%0.40725%0.248SC..G310 helixtrans-56.9-33.9-176.7-73.1-64.8115.300114.1Y354 H358 R359 P378Y354-E356 PolarHBondContact O-N 2.96Å; E356-H358 VanDerWaalsContact C-N 3.28Å; E356-H358 PolarHBondContact O-N 2.82Å; E356-R359 WeakPolarHBondContact O-CG 3.48Å; E356-R359 PolarHBondContact O-N 3.17Å; E356-R359 PolarHBondContact O-NE 2.67Å; E356-R359 IonicContact OE2-CZ 2.74Å; E356-R359 IonicContact OE2-NE 3.23Å; E356-R359 PolarHBondContact OE2-NE 2.86Å; E356-R359 IonicContact OE2-NH1 2.76Å; E356-R359 PolarHBondContact OE2-NH1 3.28Å; E356-R359 IonicContact OE2-NH2 3.5Å; E356-R359 PolarHBondContact OE2-NH2 2.86Å; E356-P378 WeakPolarHBondContact O-CG 3.43Å
357V95.3Very high94.8Very high1 Ų156.3 Ų56.31%0.00629%0.288CS..G310 helixtrans-75.3-16.8178.9-660000113.6L248 Y301 L303 L350 Y354 F355 R359 L379L248-V357 HydrophobicContact CD2-CG2 4.33Å; Y301-V357 HydrophobicContact CE1-CG1 3.65Å; L303-V357 HydrophobicContact CB-CG1 4.47Å; L303-V357 HydrophobicContact CD2-CG1 3.6Å; L303-V357 HydrophobicContact CG-CG1 4.49Å; L350-V357 HydrophobicContact CB-CG2 4.24Å; L350-V357 HydrophobicContact CD1-CG2 4.07Å; Y354-V357 WeakPolarHBondContact O-CG2 3.46Å; Y354-V357 PolarHBondContact O-N 3.13Å; Y354-V357 VanDerWaalsContact O-N 3.11Å; F355-V357 VanDerWaalsContact C-N 3.27Å; F355-V357 PolarHBondContact O-N 3.43Å; V357-R359 VanDerWaalsContact C-N 3.33Å; V357-L379 HydrophobicContact CB-CD1 4.32Å; V357-L379 HydrophobicContact CG1-CD1 4.23Å; V357-L379 HydrophobicContact CG1-CG 4.49Å
358H95.2Very high94.2Very high30 Ų3063.9 Ų63.914%0.13931%0.314CS..G310 helixtrans-86.1-5.5178.9-65.8-92000113.2L350 G351 Y354 F355 E356 Q360L350-H358 PolarHBondContact O-CE1 3.01Å; L350-H358 VanDerWaalsContact O-CE1 3.31Å; L350-H358 PolarHBondContact O-NE2 3.28Å; G351-H358 VanDerWaalsContact C-NE2 3.34Å; G351-H358 PolarHBondContact O-NE2 3.01Å; Y354-H358 PolarHBondContact O-CD2 2.94Å; F355-H358 WeakPolarHBondContact O-CB 3.26Å; F355-H358 PolarHBondContact O-N 3.09Å; E356-H358 VanDerWaalsContact C-N 3.28Å; E356-H358 PolarHBondContact O-N 2.82Å; H358-Q360 PolarHBondContact O-N 2.89Å
359R94.8Very high93.6Very high101 Ų10172.7 Ų72.738%0.38136%0.356SS..  trans-59.7132.3178.9-67.4-174.8-56.9-179.80.3111E356 V357 L361 G377 P378E356-R359 WeakPolarHBondContact O-CG 3.48Å; E356-R359 PolarHBondContact O-N 3.17Å; E356-R359 PolarHBondContact O-NE 2.67Å; E356-R359 IonicContact OE2-CZ 2.74Å; E356-R359 IonicContact OE2-NE 3.23Å; E356-R359 PolarHBondContact OE2-NE 2.86Å; E356-R359 IonicContact OE2-NH1 2.76Å; E356-R359 PolarHBondContact OE2-NH1 3.28Å; E356-R359 IonicContact OE2-NH2 3.5Å; E356-R359 PolarHBondContact OE2-NH2 2.86Å; V357-R359 VanDerWaalsContact C-N 3.33Å; R359-L361 HydrophobicContact CB-CD2 4.41Å; R359-G377 WeakPolarHBondContact O-CA 3.49Å; R359-P378 WeakPolarHBondContact O-CD 3.32Å
360Q95.4Very high92.9Very high111 Ų11173.2 Ų73.252%0.51936%0.364SS..  trans-97.297.2176.6-58.6179.3-4.500107.9H358 E362 I363 V375H358-Q360 PolarHBondContact O-N 2.89Å; Q360-E362 VanDerWaalsContact C-N 3.34Å; Q360-I363 HydrophobicContact CB-CD1 4.28Å; Q360-I363 HydrophobicContact CB-CG1 4.27Å; Q360-V375 HydrophobicContact CB-CG1 4.05Å; Q360-V375 HydrophobicContact CG-CG1 3.73Å
361L96.3Very high92.5Very high78 Ų7875.1 Ų75.141%0.40837%0.373SS..SBendtrans-74.9-27.8-177.2-54.7178.2000112.1R359 R376 P378R359-L361 HydrophobicContact CB-CD2 4.41Å; L361-R376 WeakPolarHBondContact CB-O 3.42Å; L361-R376 PolarHBondContact N-O 3Å; L361-P378 HydrophobicContact CD1-CG 4.5Å
362E97.2Very high92.4Very high59 Ų5975.1 Ų75.128%0.27637%0.373SS..EExtended strand (participates in β ladder)trans-157.3145.4177.5-169.1-178.5159.100110.1Q360 R364 V375 R376 W381Q360-E362 VanDerWaalsContact C-N 3.34Å; E362-R364 IonicContact OE1-CZ 3.96Å; E362-R364 IonicContact OE1-NE 2.85Å; E362-R364 PolarHBondContact OE1-NE 2.83Å; E362-R364 IonicContact OE1-NH2 3.09Å; E362-R364 PolarHBondContact OE1-NH2 2.82Å; E362-V375 WeakPolarHBondContact O-CA 3.48Å; E362-R376 HydrophobicContact CB-CB 3.79Å; E362-R376 PolarHBondContact N-O 2.92Å; E362-R376 PolarHBondContact O-N 2.84Å; E362-R376 IonicContact OE2-NE 2.76Å; E362-R376 PolarHBondContact OE2-NE 2.86Å; E362-W381 HydrophobicContact CB-CH2 4.21Å; E362-W381 HydrophobicContact CG-CH2 4.01Å
363I96.8Very high92.5Very high77 Ų7777 Ų7740%0.39538%0.377SS..EExtended strand (participates in β ladder)trans-131.5126.7177.1-55.8173.8000109.1Q360 Y373 A374Q360-I363 HydrophobicContact CB-CD1 4.28Å; Q360-I363 HydrophobicContact CB-CG1 4.27Å; I363-Y373 HydrophobicContact CG2-CD1 3.84Å; I363-A374 CarbonylContact C-O 3.56Å; I363-A374 WeakPolarHBondContact CA-O 3.23Å
364R96.3Very high92.7Very high83 Ų8373.5 Ų73.531%0.31336%0.358SS..EExtended strand (participates in β ladder)trans-102.4117.3168.7-58-64.4-179.8109.3-1.6109.6D335 V336 E362 Y373 A374 W381D335-R364 IonicContact OD1-NH1 3.68Å; D335-R364 IonicContact OD2-CZ 2.61Å; D335-R364 IonicContact OD2-NH1 2.84Å; D335-R364 PolarHBondContact OD2-NH1 2.73Å; D335-R364 IonicContact OD2-NH2 2.79Å; V336-R364 HydrophobicContact CG2-CG 4.24Å; E362-R364 IonicContact OE1-CZ 3.96Å; E362-R364 IonicContact OE1-NE 2.85Å; E362-R364 PolarHBondContact OE1-NE 2.83Å; E362-R364 IonicContact OE1-NH2 3.09Å; E362-R364 PolarHBondContact OE1-NH2 2.82Å; R364-Y373 WeakPolarHBondContact O-CA 3.47Å; R364-A374 HydrophobicContact CB-CB 4.08Å; R364-A374 HydrophobicContact CG-CB 4.48Å; R364-A374 PolarHBondContact N-O 2.8Å; R364-A374 PolarHBondContact O-N 2.7Å; R364-A374 VanDerWaalsContact O-N 3.08Å; R364-W381 HydrophobicContact CG-CH2 4.06Å; R364-W381 HydrophobicContact CG-CZ3 4.11Å
365S94.1Very high92.8Very high72 Ų7272 Ų7250%0.50335%0.353SS..PPolyproline II helixtrans-95.4142.3-176.2-60.30000111.7Y373S365-Y373 WeakPolarHBondContact OG-CE1 3.45Å
366P92.8Very high93Very high19 Ų1969.9 Ų69.912%0.12334%0.341CS..PPolyproline II helixtrans-73.2148.5172.731.3-35.1000111.5R368 Q371 Y373P366-R368 WeakPolarHBondContact CB-O 3.44Å; P366-R368 PolarHBondContact O-N 3.39Å; P366-Q371 HydrophobicContact CB-CB 3.55Å; P366-Q371 HydrophobicContact CB-CG 4.39Å; P366-Q371 HydrophobicContact CG-CB 4.02Å; P366-Y373 HydrophobicContact CG-CE2 4.48Å
367A88.5Confident93.1Very high107 Ų10765.9 Ų65.988%0.88432%0.324SS*.SBendtrans-69.8-20.6173.900000113.4
368R83.9Confident93.2Very high197 Ų19766.4 Ų66.474%0.74333%0.327SS*.SBendtrans-126.8145-179.7-62.2-178-176.3179.61.4110.6P366P366-R368 WeakPolarHBondContact CB-O 3.44Å; P366-R368 PolarHBondContact O-N 3.39Å
369Q83.2Confident93.3Very high185 Ų18565.3 Ų65.386%0.86432%0.322SS*.THydrogen-bonded Turntrans-62.3150.4174.4-66.1-174.6-3.600112
370G82.3Confident93.3Very high23 Ų2361.5 Ų61.524%0.23732%0.315CS..THydrogen-bonded Turntrans89.85.5176.900000115.4P386 Q388G370-P386 CarbonylContact C-O 3.35Å; G370-P386 CarbonylContact O-C 3.55Å; G370-Q388 WeakPolarHBondContact O-CG 3.46Å; G370-Q388 PolarHBondContact O-N 2.95Å
371Q89.1Confident93.4Very high40 Ų4057.8 Ų57.819%0.18730%0.296CS..SBendtrans-104.7158.4170.6-63.6179.623.500110.2P366 P386P366-Q371 HydrophobicContact CB-CB 3.55Å; P366-Q371 HydrophobicContact CB-CG 4.39Å; P366-Q371 HydrophobicContact CG-CB 4.02Å; Q371-P386 CarbonylContact C-O 3.53Å; Q371-P386 WeakPolarHBondContact CA-O 3.39Å
372P92.3Very high93.4Very high0 Ų054.2 Ų54.20%028%0.277CS..PPolyproline II helixtrans-79.8155.4-17933.1-33.2000111.2L227 W330 H332 A384 P386 I387L227-P372 HydrophobicContact CD1-CB 3.98Å; L227-P372 HydrophobicContact CD1-CG 4.33Å; W330-P372 HydrophobicContact CD2-CG 3.69Å; W330-P372 HydrophobicContact CE3-CG 3.77Å; W330-P372 HydrophobicContact CG-CG 4.47Å; W330-P372 HydrophobicContact CH2-CG 3.66Å; W330-P372 HydrophobicContact CZ2-CG 3.56Å; W330-P372 HydrophobicContact CZ3-CG 3.77Å; H332-P372 PolarHBondContact NE2-O 3.09Å; P372-A384 CarbonylContact C-O 3.56Å; P372-A384 VanDerWaalsContact CA-O 3.31Å; P372-A384 WeakPolarHBondContact CA-O 3.38Å; P372-A384 WeakPolarHBondContact CB-O 3.47Å; P372-P386 VanDerWaalsContact N-O 3.08Å; P372-I387 HydrophobicContact CB-CG2 4.18Å; P372-I387 HydrophobicContact CG-CG2 3.94Å
373Y95.1Very high93.3Very high101 Ų10152.1 Ų52.140%0.39627%0.268SS..EExtended strand (participates in β ladder)trans-87.7145.8168.9-65.9-103.9000109.1I363 R364 S365 P366 L383 A384I363-Y373 HydrophobicContact CG2-CD1 3.84Å; R364-Y373 WeakPolarHBondContact O-CA 3.47Å; S365-Y373 WeakPolarHBondContact OG-CE1 3.45Å; P366-Y373 HydrophobicContact CG-CE2 4.48Å; Y373-L383 CarbonylContact O-C 3.56Å; Y373-L383 WeakPolarHBondContact O-CA 3.39Å; Y373-A384 PolarHBondContact N-O 3.31Å; Y373-A384 PolarHBondContact O-N 3.39Å
374A96.6Very high93.1Very high0 Ų049.2 Ų49.20%026%0.255CS..EExtended strand (participates in β ladder)trans-94.6130.4161.900000109.2V333 V336 I363 R364 W381 M382 L383V333-A374 HydrophobicContact CB-CB 4.49Å; V333-A374 HydrophobicContact CG1-CB 3.83Å; V336-A374 HydrophobicContact CG2-CB 4.41Å; I363-A374 CarbonylContact C-O 3.56Å; I363-A374 WeakPolarHBondContact CA-O 3.23Å; R364-A374 HydrophobicContact CB-CB 4.08Å; R364-A374 HydrophobicContact CG-CB 4.48Å; R364-A374 PolarHBondContact N-O 2.8Å; R364-A374 PolarHBondContact O-N 2.7Å; R364-A374 VanDerWaalsContact O-N 3.08Å; A374-W381 HydrophobicContact CB-CE3 3.97Å; A374-W381 HydrophobicContact CB-CZ3 3.89Å; A374-M382 CarbonylContact C-O 3.47Å; A374-M382 VanDerWaalsContact CA-O 3.31Å; A374-M382 WeakPolarHBondContact CA-O 3.17Å; A374-L383 HydrophobicContact CB-CD2 3.92Å
375V96.9Very high92.7Very high8 Ų846.1 Ų46.15%0.04825%0.249CC..EExtended strand (participates in β ladder)trans-124.3121.9-176.2-177.60000108.2L229 Q360 E362 M382L229-V375 HydrophobicContact CD2-CB 4.1Å; L229-V375 HydrophobicContact CD2-CG1 4.36Å; L229-V375 HydrophobicContact CD2-CG2 4.25Å; Q360-V375 HydrophobicContact CB-CG1 4.05Å; Q360-V375 HydrophobicContact CG-CG1 3.73Å; E362-V375 WeakPolarHBondContact O-CA 3.48Å; V375-M382 PolarHBondContact N-O 3.03Å; V375-M382 PolarHBondContact O-N 3.35Å
376R97.3Very high92.3Very high88 Ų8844.6 Ų44.633%0.33224%0.237SC..EExtended strand (participates in β ladder)trans-90.8113.8172.7-166.1172.966.785.1-1.2108.9L361 E362 W381L361-R376 WeakPolarHBondContact CB-O 3.42Å; L361-R376 PolarHBondContact N-O 3Å; E362-R376 HydrophobicContact CB-CB 3.79Å; E362-R376 PolarHBondContact N-O 2.92Å; E362-R376 PolarHBondContact O-N 2.84Å; E362-R376 IonicContact OE2-NE 2.76Å; E362-R376 PolarHBondContact OE2-NE 2.86Å; R376-W381 HydrophobicContact CB-CD2 3.75Å; R376-W381 HydrophobicContact CB-CE3 3.82Å; R376-W381 HydrophobicContact CB-CG 4.48Å; R376-W381 HydrophobicContact CB-CH2 3.9Å; R376-W381 HydrophobicContact CB-CZ2 3.81Å; R376-W381 HydrophobicContact CB-CZ3 3.89Å; R376-W381 HydrophobicContact CG-CD2 3.99Å; R376-W381 HydrophobicContact CG-CG 4.35Å; R376-W381 HydrophobicContact CG-CZ2 4.07Å
377G96.2Very high91.7Very high4 Ų445.5 Ų45.54%0.04124%0.241CC..EExtended strand (participates in β ladder)trans-105.4179.316900000111.7R359 L379 G380R359-G377 WeakPolarHBondContact O-CA 3.49Å; G377-L379 PolarHBondContact O-N 2.81Å; G377-G380 PolarHBondContact N-O 3.3Å; G377-G380 PolarHBondContact O-N 2.78Å; G377-G380 VanDerWaalsContact O-N 3.15Å
378P96.8Very high90.7Very high12 Ų1247 Ų478%0.07823%0.23CC..THydrogen-bonded Turntrans-59-32174.9-25.134.6000114Y301 E356 R359 L361 G380Y301-P378 VanDerWaalsContact CB-O 3.23Å; Y301-P378 WeakPolarHBondContact CB-O 3.47Å; Y301-P378 HydrophobicContact CD1-CB 3.91Å; Y301-P378 HydrophobicContact CD2-CB 3.61Å; Y301-P378 HydrophobicContact CE1-CB 3.99Å; Y301-P378 HydrophobicContact CE2-CB 3.7Å; Y301-P378 HydrophobicContact CE2-CG 4.46Å; Y301-P378 HydrophobicContact CG-CB 3.71Å; E356-P378 WeakPolarHBondContact O-CG 3.43Å; R359-P378 WeakPolarHBondContact O-CD 3.32Å; L361-P378 HydrophobicContact CD1-CG 4.5Å; P378-G380 VanDerWaalsContact C-N 3.35Å
379L97Very high89.6Confident6 Ų645.6 Ų45.63%0.03122%0.224CC..THydrogen-bonded Turntrans-83.3-8.2179.1-69.2169.3000114V231 I233 L248 V294 Y301 L350 V357 G377V231-L379 HydrophobicContact CG1-CB 4.03Å; V231-L379 HydrophobicContact CG1-CD1 4.14Å; V231-L379 HydrophobicContact CG2-CB 3.98Å; I233-L379 HydrophobicContact CG2-CB 4.44Å; I233-L379 HydrophobicContact CG2-CD1 4.04Å; I233-L379 HydrophobicContact CG2-CD2 4.2Å; I233-L379 HydrophobicContact CG2-CG 4.47Å; L248-L379 HydrophobicContact CD2-CD1 4.35Å; V294-L379 HydrophobicContact CG1-CD1 4.34Å; V294-L379 HydrophobicContact CG1-CD2 3.91Å; Y301-L379 HydrophobicContact CD1-CD2 3.88Å; Y301-L379 HydrophobicContact CD1-CG 4.33Å; Y301-L379 HydrophobicContact CE1-CD2 4.48Å; L350-L379 HydrophobicContact CD1-CD1 3.84Å; V357-L379 HydrophobicContact CB-CD1 4.32Å; V357-L379 HydrophobicContact CG1-CD1 4.23Å; V357-L379 HydrophobicContact CG1-CG 4.49Å; G377-L379 PolarHBondContact O-N 2.81Å
380G96.2Very high88.1Confident22 Ų2241.2 Ų41.223%0.22721%0.21CC..EExtended strand (participates in β ladder)trans130.6-16918000000114G377 P378G377-G380 PolarHBondContact N-O 3.3Å; G377-G380 PolarHBondContact O-N 2.78Å; G377-G380 VanDerWaalsContact O-N 3.15Å; P378-G380 VanDerWaalsContact C-N 3.35Å
381W96.9Very high86.5Confident32 Ų3246.3 Ų46.312%0.12124%0.242CC..EExtended strand (participates in β ladder)trans-84.3139.5-179.9-75.995.7000112.6V336 L338 E362 R364 A374 R376V336-W381 HydrophobicContact CG1-CB 3.99Å; V336-W381 HydrophobicContact CG1-CD2 3.3Å; V336-W381 HydrophobicContact CG1-CE3 3.46Å; V336-W381 VanDerWaalsContact CG1-CE3 3.46Å; V336-W381 HydrophobicContact CG1-CG 3.57Å; V336-W381 HydrophobicContact CG1-CH2 4.36Å; V336-W381 HydrophobicContact CG1-CZ2 4.24Å; V336-W381 HydrophobicContact CG1-CZ3 4.01Å; V336-W381 HydrophobicContact CG2-CH2 4.28Å; V336-W381 HydrophobicContact CG2-CZ3 4.25Å; L338-W381 HydrophobicContact CD2-CB 4.07Å; E362-W381 HydrophobicContact CB-CH2 4.21Å; E362-W381 HydrophobicContact CG-CH2 4.01Å; R364-W381 HydrophobicContact CG-CH2 4.06Å; R364-W381 HydrophobicContact CG-CZ3 4.11Å; A374-W381 HydrophobicContact CB-CE3 3.97Å; A374-W381 HydrophobicContact CB-CZ3 3.89Å; R376-W381 HydrophobicContact CB-CD2 3.75Å; R376-W381 HydrophobicContact CB-CE3 3.82Å; R376-W381 HydrophobicContact CB-CG 4.48Å; R376-W381 HydrophobicContact CB-CH2 3.9Å; R376-W381 HydrophobicContact CB-CZ2 3.81Å; R376-W381 HydrophobicContact CB-CZ3 3.89Å; R376-W381 HydrophobicContact CG-CD2 3.99Å; R376-W381 HydrophobicContact CG-CG 4.35Å; R376-W381 HydrophobicContact CG-CZ2 4.07Å
382M96.3Very high84.6Confident4 Ų448.6 Ų48.62%0.0226%0.256CS..EExtended strand (participates in β ladder)trans-132.8157.2179.2-64.3167.9-81.500110.6L229 V231 L248 A374 V375L229-M382 HydrophobicContact CB-SD 3.9Å; L229-M382 HydrophobicContact CD2-CB 4.01Å; L229-M382 HydrophobicContact CD2-CE 4.18Å; L229-M382 HydrophobicContact CD2-SD 3.92Å; V231-M382 HydrophobicContact CB-CG 3.63Å; V231-M382 HydrophobicContact CB-SD 3.79Å; V231-M382 HydrophobicContact CG1-SD 4.22Å; V231-M382 HydrophobicContact CG2-CG 4.12Å; L248-M382 HydrophobicContact CD1-CE 3.75Å; L248-M382 HydrophobicContact CD1-SD 3.67Å; L248-M382 HydrophobicContact CG-SD 4.18Å; A374-M382 CarbonylContact C-O 3.47Å; A374-M382 VanDerWaalsContact CA-O 3.31Å; A374-M382 WeakPolarHBondContact CA-O 3.17Å; V375-M382 PolarHBondContact N-O 3.03Å; V375-M382 PolarHBondContact O-N 3.35Å
383L94.6Very high82.4Confident14 Ų1457 Ų577%0.07329%0.293CS..EExtended strand (participates in β ladder)trans-109.8131.5167.9-68.2173.4000110.1L227 I321 A326 W330 V333 L338 Y373 A374L227-L383 HydrophobicContact CD1-CB 3.89Å; I321-L383 HydrophobicContact CD1-CB 4.45Å; I321-L383 HydrophobicContact CD1-CD1 4.22Å; I321-L383 HydrophobicContact CG2-CD1 4.08Å; A326-L383 HydrophobicContact CB-CD1 4.06Å; W330-L383 HydrophobicContact CE3-CD1 4.19Å; W330-L383 HydrophobicContact CZ3-CD1 3.62Å; V333-L383 HydrophobicContact CG1-CD2 4.03Å; L338-L383 HydrophobicContact CD1-CD1 4.07Å; L338-L383 HydrophobicContact CD1-CD2 4.2Å; L338-L383 HydrophobicContact CD1-CG 4.27Å; L338-L383 HydrophobicContact CD2-CD2 4.29Å; L338-L383 HydrophobicContact CD2-CG 4.13Å; Y373-L383 CarbonylContact O-C 3.56Å; Y373-L383 WeakPolarHBondContact O-CA 3.39Å; A374-L383 HydrophobicContact CB-CD2 3.92Å
384A92.3Very high80.1Confident17 Ų1759.4 Ų59.414%0.1431%0.312CS..EExtended strand (participates in β ladder)trans-138.2150.4-17800000112.4L229 P372 Y373L229-A384 HydrophobicContact CD2-CB 3.65Å; L229-A384 HydrophobicContact CG-CB 4.01Å; P372-A384 CarbonylContact C-O 3.56Å; P372-A384 VanDerWaalsContact CA-O 3.31Å; P372-A384 WeakPolarHBondContact CA-O 3.38Å; P372-A384 WeakPolarHBondContact CB-O 3.47Å; Y373-A384 PolarHBondContact N-O 3.31Å; Y373-A384 PolarHBondContact O-N 3.39Å
385G88.7Confident77.9Confident17 Ų1762.2 Ų62.218%0.17533%0.327CS..EExtended strand (participates in β ladder)trans102.4-165.7175.400000114.2I226 L227I226-G385 CarbonylContact C-O 3.03Å; L227-G385 PolarHBondContact N-O 3.42Å; L227-G385 PolarHBondContact O-N 3.16Å
386P85.7Confident75.8Confident40 Ų4062.5 Ų62.526%0.2633%0.33SS..EExtended strand (participates in β ladder)trans-72.4145.8-170.529.9-34.6000112.5A225 I226 G370 Q371 P372A225-P386 CarbonylContact O-C 3.56Å; A225-P386 WeakPolarHBondContact O-CA 3.49Å; I226-P386 HydrophobicContact CD1-CB 4.1Å; G370-P386 CarbonylContact C-O 3.35Å; G370-P386 CarbonylContact O-C 3.55Å; Q371-P386 CarbonylContact C-O 3.53Å; Q371-P386 WeakPolarHBondContact CA-O 3.39Å; P372-P386 VanDerWaalsContact N-O 3.08Å
387I79.3Confident73.6Confident39 Ų3959.7 Ų59.720%0.233%0.326CS..EExtended strand (participates in β ladder)trans-123.5131.5166.455.2169.5000109.6A225 L227 W330 P372A225-I387 HydrophobicContact CB-CD1 3.78Å; A225-I387 HydrophobicContact CB-CG1 3.42Å; A225-I387 VanDerWaalsContact CB-CG1 3.42Å; A225-I387 WeakPolarHBondContact O-CG1 3.34Å; A225-I387 PolarHBondContact O-N 3.02Å; L227-I387 HydrophobicContact CD1-CG2 3.66Å; L227-I387 HydrophobicContact CD2-CD1 3.94Å; L227-I387 HydrophobicContact CG-CD1 4.34Å; L227-I387 HydrophobicContact CG-CG1 4.49Å; L227-I387 HydrophobicContact CG-CG2 3.82Å; W330-I387 HydrophobicContact CH2-CG2 3.98Å; W330-I387 HydrophobicContact CZ2-CG2 3.72Å; P372-I387 HydrophobicContact CB-CG2 4.18Å; P372-I387 HydrophobicContact CG-CG2 3.94Å
388Q69Low71.8Confident139 Ų13963 Ų6365%0.6534%0.337SS*.PPolyproline II helixtrans-69.1148.7173.8-69.8-177.58.400110.6G370 T390G370-Q388 WeakPolarHBondContact O-CG 3.46Å; G370-Q388 PolarHBondContact O-N 2.95Å; Q388-T390 PolarHBondContact O-N 3.23Å; Q388-T390 VanDerWaalsContact O-N 3.17Å
389R59.3Low69.8Low166 Ų16666.6 Ų66.663%0.62635%0.353SS*.PPolyproline II helixtrans-54.4118.6-174.3-73.8171.257.5140.4-6.6111.3
390T52.9Low67.7Low93 Ų9370.4 Ų70.457%0.57138%0.376SS*.PPolyproline II helixtrans-73.4154.1152.657.50000108.2Q388 N392Q388-T390 PolarHBondContact O-N 3.23Å; Q388-T390 VanDerWaalsContact O-N 3.17Å; T390-N392 PolarHBondContact O-N 2.77Å
391S47.2Very low65.7Low130 Ų13073.2 Ų73.291%0.90939%0.386SS*.SBendtrans-57.5-4.2-176.852.10000114.9K393S391-K393 PolarHBondContact O-N 3.26Å
392N49.3Very low63.2Low88 Ų8877.2 Ų77.247%0.47140%0.404SS..  trans-89.4101.8-174.9-156-11.9000111.6T390 N394 L395T390-N392 PolarHBondContact O-N 2.77Å; N392-N394 PolarHBondContact O-N 3.24Å; N392-L395 HydrophobicContact CB-CD1 4.14Å; N392-L395 PolarHBondContact O-N 2.78Å
393K47.9Very low60.8Low178 Ų17878.5 Ų78.577%0.77441%0.412SS*.G310 helixtrans-57.1-18.3-173.8-66.8177.8-178.6172.20114.6S391S391-K393 PolarHBondContact O-N 3.26Å
394N46.7Very low58.4Low150 Ų15078.6 Ų78.680%0.80242%0.416SS*.G310 helixtrans-87.2-9.7-174.9-66.8-18.5000114.5N392N392-N394 PolarHBondContact O-N 3.24Å
395L50.4Low56.1Low60 Ų6080.7 Ų80.731%0.31443%0.425SS..G310 helixtrans-97-5.3-178.5-77.1156.7000113.9R319 N392 A397R319-L395 HydrophobicContact CG-CD2 4.05Å; N392-L395 HydrophobicContact CB-CD1 4.14Å; N392-L395 PolarHBondContact O-N 2.78Å; L395-A397 PolarHBondContact O-N 3.33Å
396A51.4Low54Low14 Ų1482.4 Ų82.412%0.11643%0.434CS..  trans-88.710.5-161.900000115.7S222S222-A396 CarbonylContact C-O 3.55Å; S222-A396 VanDerWaalsContact CA-O 3.29Å; S222-A396 WeakPolarHBondContact CA-O 3.36Å
397A51.3Low52.1Low29 Ų2986.1 Ų86.124%0.2445%0.448CS..  trans-91.6120.4-177.200000111.9T220 R319 L395T220-A397 HydrophobicContact CG2-CB 3.38Å; R319-A397 PolarHBondContact NH2-O 3.19Å; L395-A397 PolarHBondContact O-N 3.33Å
398R57.6Low50.6Low72 Ų7289.6 Ų89.627%0.27247%0.466SS..  trans-62.2145.6154.6-62.2-174.2167.6171.7-12.9108.5T220 I221 R224T220-R398 VanDerWaalsContact CA-O 3.3Å; T220-R398 WeakPolarHBondContact CA-O 3.39Å; I221-R398 HydrophobicContact CB-CB 4.43Å; I221-R398 HydrophobicContact CB-CG 4.5Å; I221-R398 PolarHBondContact O-N 3.4Å; I221-R398 VanDerWaalsContact O-N 3.17Å; R224-R398 VanDerWaalsContact CD-NH2 3.32Å; R224-R398 WeakPolarHBondContact O-CG 3.41Å; R224-R398 PolarHBondContact O-NE 2.83Å
399Q55.3Low49.6Very low88 Ų8890.4 Ų90.441%0.41148%0.475SS..  trans-119.2128.6169.4-72.2-174-23.900107.8S317S317-Q399 VanDerWaalsContact CA-OE1 3.26Å
400V53.7Low49Very low86 Ų8685.7 Ų85.752%0.52147%0.465SS..  trans-114.5125169.8-1790000106.2V217 G218 K402V217-V400 VanDerWaalsContact O-O 3.07Å; G218-V400 WeakPolarHBondContact CA-O 3.22Å; V400-K402 PolarHBondContact O-N 3.37Å
401N53.4Low49Very low81 Ų8183 Ų8343%0.43345%0.449SS..EExtended strand (participates in β ladder)trans-73.2110174.2-68.6-34.1000108.5
402K45.2Very low49.5Very low117 Ų11780 Ų8051%0.50943%0.427SS..EExtended strand (participates in β ladder)trans-104.1123.5165.1169.4177.7176.2-177.80109Q216 V217 V400 G404Q216-K402 CarbonylContact C-O 3.58Å; Q216-K402 VanDerWaalsContact CA-O 3.28Å; Q216-K402 WeakPolarHBondContact CA-O 3.49Å; V217-K402 HydrophobicContact CB-CB 4.04Å; V217-K402 HydrophobicContact CB-CD 4.05Å; V217-K402 HydrophobicContact CB-CG 4.23Å; V217-K402 HydrophobicContact CG1-CD 4.46Å; V217-K402 HydrophobicContact CG2-CD 4.5Å; V217-K402 PolarHBondContact N-O 2.95Å; V217-K402 VanDerWaalsContact O-CB 3.32Å; V217-K402 WeakPolarHBondContact O-CB 3.3Å; V217-K402 PolarHBondContact O-N 3.24Å; V400-K402 PolarHBondContact O-N 3.37Å; K402-G404 PolarHBondContact O-N 2.76Å
403V46Very low50.4Low30 Ų3080.5 Ų80.518%0.18243%0.434CS..EExtended strand (participates in β ladder)trans-81.4107165.9176.30000107V214 L276 F279V214-V403 HydrophobicContact CG1-CB 4.45Å; V214-V403 HydrophobicContact CG1-CG1 3.85Å; V214-V403 HydrophobicContact CG1-CG2 4.32Å; V214-V403 HydrophobicContact CG2-CG1 4.3Å; L276-V403 HydrophobicContact CD1-CG1 4.46Å; L276-V403 HydrophobicContact CD1-CG2 4.32Å; F279-V403 HydrophobicContact CB-CB 4.24Å; F279-V403 HydrophobicContact CD2-CB 4.43Å; F279-V403 HydrophobicContact CD2-CG2 4.22Å
404G43.4Very low51.4Low16 Ų1678.1 Ų78.117%0.16543%0.425CS..EExtended strand (participates in β ladder)trans-95.8117.9164.600000108.6V215 K402V215-G404 WeakPolarHBondContact CA-O 3.45Å; V215-G404 WeakPolarHBondContact CB-O 3.48Å; V215-G404 PolarHBondContact N-O 2.79Å; V215-G404 PolarHBondContact O-N 2.95Å; K402-G404 PolarHBondContact O-N 2.76Å
405L44.4Very low52.5Low61 Ų6173.8 Ų73.832%0.31940%0.404SS..EExtended strand (participates in β ladder)trans-80.2118.7163.8-72.4165.9000107.2S212 V214 K280 E407S212-L405 WeakPolarHBondContact OG-CD2 3.33Å; V214-L405 HydrophobicContact CG2-CD2 4.44Å; K280-L405 HydrophobicContact CB-CD1 4.45Å; L405-E407 PolarHBondContact O-N 2.88Å
406S44Very low53.6Low54 Ų5474.6 Ų74.638%0.37841%0.409SS..EExtended strand (participates in β ladder)trans-78.3104.7157.2176.40000105.4K213 L408K213-S406 PolarHBondContact O-N 2.61Å; S406-L408 PolarHBondContact O-N 3.43Å
407E45.5Very low54.7Low117 Ų11777.7 Ų77.755%0.54742%0.422SS..  trans-54123.2161.4-80.4169.8-165.800106.6L405 D409 T410L405-E407 PolarHBondContact O-N 2.88Å; E407-D409 PolarHBondContact O-N 3.46Å; E407-T410 VanDerWaalsContact CB-OG1 3.29Å; E407-T410 WeakPolarHBondContact CB-OG1 3.39Å; E407-T410 PolarHBondContact O-N 2.79Å; E407-T410 VanDerWaalsContact O-N 3.14Å
408L48Very low55.9Low112 Ų11282.6 Ų82.659%0.58644%0.44SS*.THydrogen-bonded Turntrans-61.2-10.5-177.1-88.9143.4000112.9G211 S406G211-L408 WeakPolarHBondContact O-CD1 3.46Å; S406-L408 PolarHBondContact O-N 3.43Å
409D48.4Very low56.7Low157 Ų15787 Ų8784%0.8446%0.457SS*.THydrogen-bonded Turntrans-106.8-5-179.9-71.4-30.3000114.8E407 P411E407-D409 PolarHBondContact O-N 3.46Å; D409-P411 WeakPolarHBondContact O-CD 3.31Å
410T48.1Very low57.8Low67 Ų6788.4 Ų88.441%0.41146%0.462SS..SBendtrans-93.1113.6168.80.90000109.2E407 C412 L416E407-T410 VanDerWaalsContact CB-OG1 3.29Å; E407-T410 WeakPolarHBondContact CB-OG1 3.39Å; E407-T410 PolarHBondContact O-N 2.79Å; E407-T410 VanDerWaalsContact O-N 3.14Å; T410-C412 PolarHBondContact O-N 3.42Å; T410-L416 HydrophobicContact CG2-CD1 4.11Å
411P52.7Low58.8Low37 Ų3792.2 Ų92.224%0.2447%0.467CS..  trans-52.9143.7169.2-12.523.1000108.6D409 T415 L416D409-P411 WeakPolarHBondContact O-CD 3.31Å; P411-T415 HydrophobicContact CB-CG2 3.52Å; P411-L416 HydrophobicContact CB-CD2 4.36Å; P411-L416 HydrophobicContact CB-CG 4.01Å; P411-L416 HydrophobicContact CG-CD2 3.87Å; P411-L416 HydrophobicContact CG-CG 4.06Å; P411-L416 WeakPolarHBondContact O-CD1 3.28Å; P411-L416 WeakPolarHBondContact O-CG 3.03Å
412C57.9Low59.9Low66 Ų6691.3 Ų91.345%0.44647%0.467SS..  trans-52.1152.9178.577.20000109.6T410 E414 T415 L416T410-C412 PolarHBondContact O-N 3.42Å; C412-E414 WeakPolarHBondContact CB-OE2 3.42Å; C412-E414 CarbonylContact O-C 3.53Å; C412-E414 PolarHBondContact O-N 2.9Å; C412-E414 PolarHBondContact SG-OE2 2.91Å; C412-T415 CarbonylContact O-C 3.58Å; C412-T415 WeakPolarHBondContact O-CA 3.4Å; C412-T415 WeakPolarHBondContact O-CB 3.32Å; C412-T415 PolarHBondContact O-N 2.72Å; C412-T415 PolarHBondContact SG-N 3.47Å; C412-T415 PolarHBondContact SG-OG1 2.84Å; C412-L416 PolarHBondContact O-N 3.11Å
413V67.6Low61.3Low99 Ų9990.3 Ų90.360%0.647%0.471SS*.Hα-helixtrans-50.9-35.2-175.9171.50000111.1L416 L417V413-L416 PolarHBondContact O-N 3.29Å; V413-L417 HydrophobicContact CG1-CD1 3.85Å; V413-L417 HydrophobicContact CG1-CG 4.45Å; V413-L417 VanDerWaalsContact O-CB 3.26Å; V413-L417 WeakPolarHBondContact O-CB 3.41Å; V413-L417 VanDerWaalsContact O-CG 3.31Å; V413-L417 WeakPolarHBondContact O-CG 3.49Å; V413-L417 PolarHBondContact O-N 2.88Å
414E68.9Low62.6Low127 Ų12795.8 Ų95.859%0.59350%0.495SS*.Hα-helixtrans-63.4-44.3173.2-55.876.9-171.900112.7C412 L417 E418C412-E414 WeakPolarHBondContact CB-OE2 3.42Å; C412-E414 CarbonylContact O-C 3.53Å; C412-E414 PolarHBondContact O-N 2.9Å; C412-E414 PolarHBondContact SG-OE2 2.91Å; E414-L417 PolarHBondContact O-N 3.5Å; E414-E418 WeakPolarHBondContact O-CB 3.33Å; E414-E418 WeakPolarHBondContact O-CG 3.14Å; E414-E418 PolarHBondContact O-N 2.77Å
415T69.7Low63.6Low60 Ų6099.7 Ų99.737%0.36852%0.519SS..Hα-helixtrans-70.1-37.8175.8-52.10000111.6P411 C412 E418 R419P411-T415 HydrophobicContact CB-CG2 3.52Å; C412-T415 CarbonylContact O-C 3.58Å; C412-T415 WeakPolarHBondContact O-CA 3.4Å; C412-T415 WeakPolarHBondContact O-CB 3.32Å; C412-T415 PolarHBondContact O-N 2.72Å; C412-T415 PolarHBondContact SG-N 3.47Å; C412-T415 PolarHBondContact SG-OG1 2.84Å; T415-E418 PolarHBondContact O-N 3.39Å; T415-R419 WeakPolarHBondContact O-CB 3.44Å; T415-R419 PolarHBondContact O-N 3.26Å
416L73.8Confident64.5Low77 Ų77105.8 Ų105.840%0.40354%0.544SS..Hα-helixtrans-64.1-41172.7-81.9170.7000111.2T410 P411 C412 V413 R419 F420T410-L416 HydrophobicContact CG2-CD1 4.11Å; P411-L416 HydrophobicContact CB-CD2 4.36Å; P411-L416 HydrophobicContact CB-CG 4.01Å; P411-L416 HydrophobicContact CG-CD2 3.87Å; P411-L416 HydrophobicContact CG-CG 4.06Å; P411-L416 WeakPolarHBondContact O-CD1 3.28Å; P411-L416 WeakPolarHBondContact O-CG 3.03Å; C412-L416 PolarHBondContact O-N 3.11Å; V413-L416 PolarHBondContact O-N 3.29Å; L416-R419 PolarHBondContact O-N 3.41Å; L416-F420 WeakPolarHBondContact O-CB 3.44Å; L416-F420 PolarHBondContact O-N 3.4Å
417L74.5Confident65Low78 Ų78105.8 Ų105.841%0.40855%0.552SS.*Hα-helixtrans-65.5-45.4174.6-83.7163.8000111.7V413 E414 R419 F420 W421V413-L417 HydrophobicContact CG1-CD1 3.85Å; V413-L417 HydrophobicContact CG1-CG 4.45Å; V413-L417 VanDerWaalsContact O-CB 3.26Å; V413-L417 WeakPolarHBondContact O-CB 3.41Å; V413-L417 VanDerWaalsContact O-CG 3.31Å; V413-L417 WeakPolarHBondContact O-CG 3.49Å; V413-L417 PolarHBondContact O-N 2.88Å; E414-L417 PolarHBondContact O-N 3.5Å; L417-R419 VanDerWaalsContact C-N 3.33Å; L417-R419 PolarHBondContact O-N 2.86Å; L417-F420 PolarHBondContact O-N 2.92Å; L417-W421 WeakPolarHBondContact O-CB 3.15Å; L417-W421 VanDerWaalsContact O-CG 3.31Å; L417-W421 PolarHBondContact O-N 2.84Å
418E75.8Confident65.3Low132 Ų132106.3 Ų106.362%0.61756%0.563SS**Hα-helixtrans-60.9-41.7173.2-82.5-174.8165.700111.7E414 T415 S422E414-E418 WeakPolarHBondContact O-CB 3.33Å; E414-E418 WeakPolarHBondContact O-CG 3.14Å; E414-E418 PolarHBondContact O-N 2.77Å; T415-E418 PolarHBondContact O-N 3.39Å; E418-S422 VanDerWaalsContact O-CB 3.25Å; E418-S422 WeakPolarHBondContact O-CB 3.49Å; E418-S422 PolarHBondContact O-N 2.9Å; E418-S422 PolarHBondContact O-OG 2.71Å
419R74Confident65.5Low164 Ų164110.3 Ų110.362%0.61958%0.576SS**Hα-helixtrans-69-39.2178.2-154.5174.1-173.3177.40.5111.4T415 L416 L417 S422 T423T415-R419 WeakPolarHBondContact O-CB 3.44Å; T415-R419 PolarHBondContact O-N 3.26Å; L416-R419 PolarHBondContact O-N 3.41Å; L417-R419 VanDerWaalsContact C-N 3.33Å; L417-R419 PolarHBondContact O-N 2.86Å; R419-S422 VanDerWaalsContact CA-OG 3.25Å; R419-S422 WeakPolarHBondContact CA-OG 3.46Å; R419-S422 PolarHBondContact O-OG 3.18Å; R419-T423 VanDerWaalsContact O-CB 3.24Å; R419-T423 WeakPolarHBondContact O-CB 3.21Å; R419-T423 PolarHBondContact O-N 3.35Å; R419-T423 PolarHBondContact O-OG1 3.14Å
420F77.9Confident65.6Low119 Ų119106.3 Ų106.352%0.52256%0.558SS.*Hα-helixtrans-62-51.9173175.2-100000110.5L416 L417 S422 T423 E424L416-F420 WeakPolarHBondContact O-CB 3.44Å; L416-F420 PolarHBondContact O-N 3.4Å; L417-F420 PolarHBondContact O-N 2.92Å; F420-S422 PolarHBondContact O-N 3.13Å; F420-T423 PolarHBondContact O-N 3.33Å; F420-E424 HydrophobicContact CE1-CG 4.29Å; F420-E424 HydrophobicContact CE2-CG 4.28Å; F420-E424 HydrophobicContact CZ-CG 3.97Å; F420-E424 WeakPolarHBondContact O-CB 3.29Å; F420-E424 PolarHBondContact O-N 3.01Å
421W76.2Confident66.2Low166 Ų166111.4 Ų111.463%0.62958%0.583SS**Hα-helixtrans-63.3-40.9177.9-70.2-11.8000113L417 T423 S425L417-W421 WeakPolarHBondContact O-CB 3.15Å; L417-W421 VanDerWaalsContact O-CG 3.31Å; L417-W421 PolarHBondContact O-N 2.84Å; W421-T423 VanDerWaalsContact C-N 3.35Å; W421-S425 VanDerWaalsContact O-CB 3.31Å; W421-S425 WeakPolarHBondContact O-CB 3.43Å; W421-S425 PolarHBondContact O-N 2.86Å; W421-S425 PolarHBondContact O-OG 3.25Å
422S75.1Confident66.7Low61 Ų61114.5 Ų114.543%0.42760%0.601SS.*Hα-helixtrans-66.8-35.6175.654.70000112.2E418 R419 F420 S425 F426E418-S422 VanDerWaalsContact O-CB 3.25Å; E418-S422 WeakPolarHBondContact O-CB 3.49Å; E418-S422 PolarHBondContact O-N 2.9Å; E418-S422 PolarHBondContact O-OG 2.71Å; R419-S422 VanDerWaalsContact CA-OG 3.25Å; R419-S422 WeakPolarHBondContact CA-OG 3.46Å; R419-S422 PolarHBondContact O-OG 3.18Å; F420-S422 PolarHBondContact O-N 3.13Å; S422-S425 WeakPolarHBondContact CA-OG 3.44Å; S422-S425 PolarHBondContact O-OG 3.35Å; S422-F426 VanDerWaalsContact O-CB 3.31Å; S422-F426 WeakPolarHBondContact O-CB 3.3Å; S422-F426 PolarHBondContact O-N 2.91Å
423T75.3Confident66.8Low97 Ų97123.2 Ų123.260%0.59563%0.625SS**Hα-helixtrans-72.2-46.1176.7-53.80000111.3R419 F420 W421 S425 F426R419-T423 VanDerWaalsContact O-CB 3.24Å; R419-T423 WeakPolarHBondContact O-CB 3.21Å; R419-T423 PolarHBondContact O-N 3.35Å; R419-T423 PolarHBondContact O-OG1 3.14Å; F420-T423 PolarHBondContact O-N 3.33Å; W421-T423 VanDerWaalsContact C-N 3.35Å; T423-S425 PolarHBondContact O-N 3.35Å; T423-F426 PolarHBondContact O-N 3.39Å; T423-F426 VanDerWaalsContact O-N 3.12Å
424E72.4Confident66.7Low144 Ų144124.6 Ų124.667%0.67363%0.628SS**Hα-helixtrans-59.4-35.7174.2-100.6-116.5134.100112F420 F426F420-E424 HydrophobicContact CE1-CG 4.29Å; F420-E424 HydrophobicContact CE2-CG 4.28Å; F420-E424 HydrophobicContact CZ-CG 3.97Å; F420-E424 WeakPolarHBondContact O-CB 3.29Å; F420-E424 PolarHBondContact O-N 3.01Å; E424-F426 VanDerWaalsContact C-N 3.32Å; E424-F426 PolarHBondContact O-N 3.25Å
425S66Low66.7Low98 Ų98130.2 Ų130.269%0.68564%0.644SS**THydrogen-bonded Turntrans-79.7-8.6178.349.80000114.4W421 S422 T423W421-S425 VanDerWaalsContact O-CB 3.31Å; W421-S425 WeakPolarHBondContact O-CB 3.43Å; W421-S425 PolarHBondContact O-N 2.86Å; W421-S425 PolarHBondContact O-OG 3.25Å; S422-S425 WeakPolarHBondContact CA-OG 3.44Å; S422-S425 PolarHBondContact O-OG 3.35Å; T423-S425 PolarHBondContact O-N 3.35Å
426F62.7Low67Low190 Ų190133.9 Ų133.983%0.83365%0.651SS**SBendtrans-99.5-5.3-171.7-152.5-98.1000116.5S422 T423 E424S422-F426 VanDerWaalsContact O-CB 3.31Å; S422-F426 WeakPolarHBondContact O-CB 3.3Å; S422-F426 PolarHBondContact O-N 2.91Å; T423-F426 PolarHBondContact O-N 3.39Å; T423-F426 VanDerWaalsContact O-N 3.12Å; E424-F426 VanDerWaalsContact C-N 3.32Å; E424-F426 PolarHBondContact O-N 3.25Å
427G55.4Low67.4Low53 Ų53133.6 Ų133.655%0.54665%0.654SS.*SBendtrans-162.8114.1174.800000111.3
428T51.1Low67.9Low128 Ų128134 Ų13479%0.78566%0.66SS**  cis-142126.145.644.20000108.6P430T428-P430 VanDerWaalsContact O-CD 3.22Å; T428-P430 WeakPolarHBondContact O-CD 3.28Å
429K52.4Low68.3Low196 Ų196132.7 Ų132.785%0.85265%0.653SS**  trans-67.5115.1156.2-75.5-177.4-179.6175.50104.9N431K429-N431 PolarHBondContact O-N 3Å; K429-N431 VanDerWaalsContact O-N 3.15Å
430P50.5Low68.8Low73 Ų73128.8 Ų128.847%0.47464%0.644SS.*  trans-60.6126.9171.75.74.2000106.1T428 V432 L434T428-P430 VanDerWaalsContact O-CD 3.22Å; T428-P430 WeakPolarHBondContact O-CD 3.28Å; P430-V432 PolarHBondContact O-N 3.28Å; P430-L434 HydrophobicContact CG-CD1 4.19Å; P430-L434 HydrophobicContact CG-CG 4.45Å
431N61Low69.2Low174 Ų174128 Ų12893%0.9364%0.642SS**SBendtrans-64.31.5168.6-85.8-23.4000112.1K429K429-N431 PolarHBondContact O-N 3Å; K429-N431 VanDerWaalsContact O-N 3.15Å
432V61.9Low69.8Low103 Ų103125.1 Ų125.162%0.62463%0.631SS**SBendtrans-102.2120.9171.1-170.90000108.1P430 L434P430-V432 PolarHBondContact O-N 3.28Å; V432-L434 VanDerWaalsContact C-N 3.29Å; V432-L434 PolarHBondContact O-N 3.41Å
433R61.5Low70.4Confident248 Ų248124 Ų12494%0.93662%0.623SS**  trans-61.597.6162.3-78-176.1177.7-178.50.6107.2R435R433-R435 PolarHBondContact O-N 2.94Å
434L64.8Low71.1Confident129 Ų129122.5 Ų122.568%0.67561%0.609SS**  trans-54.9128169.6-69.8171.4000107.5P430 V432 R436P430-L434 HydrophobicContact CG-CD1 4.19Å; P430-L434 HydrophobicContact CG-CG 4.45Å; V432-L434 VanDerWaalsContact C-N 3.29Å; V432-L434 PolarHBondContact O-N 3.41Å; L434-R436 PolarHBondContact O-N 3.23Å
435R69.6Low71.9Confident245 Ų245118 Ų11893%0.92560%0.597SS**  trans-57114.9177-154.3179.2-171.4178.43.2106.9R433 P437R433-R435 PolarHBondContact O-N 2.94Å; R435-P437 WeakPolarHBondContact O-CD 3.49Å
436R75.2Confident73.1Confident136 Ų136114.6 Ų114.651%0.51357%0.571SS.*  trans-66.8128.6179.3-70.2-176.3-173.2-151.7-5.5107.7L434 V438 E441 E444L434-R436 PolarHBondContact O-N 3.23Å; R436-V438 PolarHBondContact O-N 3.47Å; R436-E441 HydrophobicContact CB-CG 3.85Å; R436-E444 IonicContact CZ-OE1 3.88Å; R436-E444 IonicContact NH1-OE1 2.73Å; R436-E444 PolarHBondContact NH1-OE1 2.72Å; R436-E444 IonicContact NH1-OE2 3.68Å; R436-E444 PolarHBondContact NH1-OE2 3.25Å
437P81.9Confident74.5Confident72 Ų72109.1 Ų109.147%0.46855%0.55SS..  trans-55138.7170.1-22.432000109.5R435 E439 I440 E441R435-P437 WeakPolarHBondContact O-CD 3.49Å; P437-E439 PolarHBondContact O-N 3.39Å; P437-I440 HydrophobicContact CB-CG1 4.33Å; P437-I440 HydrophobicContact CG-CD1 4.19Å; P437-I440 HydrophobicContact CG-CG1 4.25Å; P437-I440 WeakPolarHBondContact O-CB 3.49Å; P437-I440 PolarHBondContact O-N 3.43Å; P437-E441 PolarHBondContact O-N 3.48Å
438V84.6Confident76.3Confident87 Ų87114.8 Ų114.853%0.52756%0.559SS.*Hα-helixtrans-52.5-30.4177.3125.50000111.8R436 E441 R442R436-V438 PolarHBondContact O-N 3.47Å; V438-E441 PolarHBondContact O-N 3.2Å; V438-R442 WeakPolarHBondContact O-CB 3.24Å; V438-R442 WeakPolarHBondContact O-CG 3.44Å; V438-R442 PolarHBondContact O-N 3.41Å
439E85.4Confident78.2Confident103 Ų103114.3 Ų114.348%0.48156%0.556SS.*Hα-helixtrans-64.8-37.9176.1-60.3-177.3174.100112.3P437 S443 K465P437-E439 PolarHBondContact O-N 3.39Å; E439-S443 WeakPolarHBondContact O-CB 3.45Å; E439-S443 PolarHBondContact O-N 3.13Å; E439-S443 PolarHBondContact O-OG 3.37Å; E439-K465 WeakPolarHBondContact OE1-CE 3.48Å; E439-K465 IonicContact OE1-NZ 3.69Å; E439-K465 PolarHBondContact OE1-NZ 3.43Å
440I84.7Confident80.2Confident82 Ų82106 Ų10642%0.42152%0.523SS..Hα-helixtrans-70.5-46176.1-64.4-167.2000110.2P437 R442 S443 E444P437-I440 HydrophobicContact CB-CG1 4.33Å; P437-I440 HydrophobicContact CG-CD1 4.19Å; P437-I440 HydrophobicContact CG-CG1 4.25Å; P437-I440 WeakPolarHBondContact O-CB 3.49Å; P437-I440 PolarHBondContact O-N 3.43Å; I440-R442 VanDerWaalsContact C-N 3.31Å; I440-R442 PolarHBondContact O-N 3.45Å; I440-S443 PolarHBondContact O-N 3.25Å; I440-S443 VanDerWaalsContact O-N 3.17Å; I440-E444 HydrophobicContact CG2-CG 4.33Å; I440-E444 WeakPolarHBondContact O-CB 3.35Å; I440-E444 WeakPolarHBondContact O-CG 3.39Å; I440-E444 PolarHBondContact O-N 3.15Å
441E86.2Confident82.3Confident102 Ų102105.5 Ų105.548%0.47752%0.519SS..Hα-helixtrans-60.8-41.5177.8-69.1-176.1168.100111.6R436 P437 V438 A445R436-E441 HydrophobicContact CB-CG 3.85Å; P437-E441 PolarHBondContact O-N 3.48Å; V438-E441 PolarHBondContact O-N 3.2Å; E441-A445 VanDerWaalsContact O-CB 3.28Å; E441-A445 WeakPolarHBondContact O-CB 3.45Å; E441-A445 PolarHBondContact O-N 2.96Å
442R87.1Confident83.9Confident106 Ų106104.1 Ų104.140%0.450%0.501SS..Hα-helixtrans-62.5-45.7172.3-81.8-176.2-169.9169.24.9112.3V438 I440 E444 A445 I446 K465V438-R442 WeakPolarHBondContact O-CB 3.24Å; V438-R442 WeakPolarHBondContact O-CG 3.44Å; V438-R442 PolarHBondContact O-N 3.41Å; I440-R442 VanDerWaalsContact C-N 3.31Å; I440-R442 PolarHBondContact O-N 3.45Å; R442-E444 VanDerWaalsContact C-N 3.35Å; R442-E444 PolarHBondContact O-N 2.86Å; R442-A445 PolarHBondContact O-N 3.25Å; R442-I446 WeakPolarHBondContact O-CG1 3.34Å; R442-I446 PolarHBondContact O-N 3.01Å; R442-K465 PolarHBondContact NH1-O 3.48Å
443S89Confident85.4Confident37 Ų37106 Ų10626%0.25950%0.5SS..Hα-helixtrans-62.9-43.2-179.3-590000111.4E439 I440 I446 L447 L463E439-S443 WeakPolarHBondContact O-CB 3.45Å; E439-S443 PolarHBondContact O-N 3.13Å; E439-S443 PolarHBondContact O-OG 3.37Å; I440-S443 PolarHBondContact O-N 3.25Å; I440-S443 VanDerWaalsContact O-N 3.17Å; S443-I446 PolarHBondContact O-N 2.91Å; S443-L447 WeakPolarHBondContact O-CB 3.43Å; S443-L447 PolarHBondContact O-N 3.45Å; S443-L463 WeakPolarHBondContact O-CD2 3.45Å
444E88.7Confident86.8Confident66 Ų66102.7 Ų102.731%0.30849%0.488SS..Hα-helixtrans-64.3-39.7173.6-75.4-174.4161.500112R436 I440 R442 L447 K448R436-E444 IonicContact CZ-OE1 3.88Å; R436-E444 IonicContact NH1-OE1 2.73Å; R436-E444 PolarHBondContact NH1-OE1 2.72Å; R436-E444 IonicContact NH1-OE2 3.68Å; R436-E444 PolarHBondContact NH1-OE2 3.25Å; I440-E444 HydrophobicContact CG2-CG 4.33Å; I440-E444 WeakPolarHBondContact O-CB 3.35Å; I440-E444 WeakPolarHBondContact O-CG 3.39Å; I440-E444 PolarHBondContact O-N 3.15Å; R442-E444 VanDerWaalsContact C-N 3.35Å; R442-E444 PolarHBondContact O-N 2.86Å; E444-L447 PolarHBondContact O-N 3.11Å; E444-K448 WeakPolarHBondContact O-CB 3.38Å; E444-K448 WeakPolarHBondContact O-CG 3.47Å; E444-K448 PolarHBondContact O-N 3.37Å
445A90.2Very high88.1Confident50 Ų5099.7 Ų99.741%0.41349%0.488SS..Hα-helixtrans-63.3-44.517600000111.5E441 R442 K448 T449E441-A445 VanDerWaalsContact O-CB 3.28Å; E441-A445 WeakPolarHBondContact O-CB 3.45Å; E441-A445 PolarHBondContact O-N 2.96Å; R442-A445 PolarHBondContact O-N 3.25Å; A445-K448 PolarHBondContact O-N 3.42Å; A445-T449 WeakPolarHBondContact O-CB 3.37Å; A445-T449 WeakPolarHBondContact O-CG2 3.49Å; A445-T449 PolarHBondContact O-N 3.01Å; A445-T449 PolarHBondContact O-OG1 3.2Å
446I91.1Very high89.1Confident27 Ų2793.6 Ų93.614%0.13848%0.483CS..Hα-helixtrans-60.8-50.6174-65.8167.2000109.7R442 S443 K448 T449 S450 L463R442-I446 WeakPolarHBondContact O-CG1 3.34Å; R442-I446 PolarHBondContact O-N 3.01Å; S443-I446 PolarHBondContact O-N 2.91Å; I446-K448 PolarHBondContact O-N 2.78Å; I446-T449 PolarHBondContact O-N 2.91Å; I446-T449 PolarHBondContact O-OG1 2.94Å; I446-S450 WeakPolarHBondContact O-CB 3.27Å; I446-S450 PolarHBondContact O-N 3.31Å; I446-S450 PolarHBondContact O-OG 2.99Å; I446-L463 HydrophobicContact CB-CD2 4.06Å; I446-L463 HydrophobicContact CG2-CD2 3.98Å
447L92.1Very high89.7Confident75 Ų7596.4 Ų96.439%0.39349%0.494SS..Hα-helixtrans-55.4-49.2177.8-92.8152.5000112S443 E444 T451 V460 L463S443-L447 WeakPolarHBondContact O-CB 3.43Å; S443-L447 PolarHBondContact O-N 3.45Å; E444-L447 PolarHBondContact O-N 3.11Å; L447-T451 WeakPolarHBondContact O-CB 3.26Å; L447-T451 PolarHBondContact O-N 3.06Å; L447-T451 PolarHBondContact O-OG1 3.18Å; L447-V460 HydrophobicContact CD2-CG2 3.78Å; L447-V460 HydrophobicContact CG-CG2 4.44Å; L447-L463 HydrophobicContact CD1-CD1 4.24Å; L447-L463 HydrophobicContact CD1-CD2 4.02Å; L447-L463 HydrophobicContact CG-CD2 3.92Å
448K92.3Very high90.2Very high171 Ų171101 Ų10174%0.74350%0.503SS*.Hα-helixtrans-65.9-38.6-178.7-76.8176.9178.21730113.2E444 A445 I446E444-K448 WeakPolarHBondContact O-CB 3.38Å; E444-K448 WeakPolarHBondContact O-CG 3.47Å; E444-K448 PolarHBondContact O-N 3.37Å; A445-K448 PolarHBondContact O-N 3.42Å; I446-K448 PolarHBondContact O-N 2.78Å
449T92.9Very high90.6Very high118 Ų11899.3 Ų99.372%0.72449%0.489SS*.Hα-helixtrans-88-26.5-174.7550000113.7A445 I446A445-T449 WeakPolarHBondContact O-CB 3.37Å; A445-T449 WeakPolarHBondContact O-CG2 3.49Å; A445-T449 PolarHBondContact O-N 3.01Å; A445-T449 PolarHBondContact O-OG1 3.2Å; I446-T449 PolarHBondContact O-N 2.91Å; I446-T449 PolarHBondContact O-OG1 2.94Å
450S92.8Very high90.9Very high22 Ų2298.2 Ų98.215%0.15449%0.489CS..Hα-helixtrans-106-17.9-17571.90000114.6I446 R452 G461I446-S450 WeakPolarHBondContact O-CB 3.27Å; I446-S450 PolarHBondContact O-N 3.31Å; I446-S450 PolarHBondContact O-OG 2.99Å; S450-R452 PolarHBondContact O-N 2.87Å; S450-G461 VanDerWaalsContact OG-CA 3.27Å; S450-G461 WeakPolarHBondContact OG-CA 3.33Å; S450-G461 PolarHBondContact OG-N 3.27Å
451T94.3Very high91.2Very high63 Ų6395.5 Ų95.539%0.38748%0.482SS..  trans-73.8115.4177.1-540000110.1L447 E459 V460L447-T451 WeakPolarHBondContact O-CB 3.26Å; L447-T451 PolarHBondContact O-N 3.06Å; L447-T451 PolarHBondContact O-OG1 3.18Å; T451-E459 CarbonylContact C-O 3.46Å; T451-E459 VanDerWaalsContact CA-O 3.29Å; T451-E459 WeakPolarHBondContact CA-O 3.5Å; T451-V460 VanDerWaalsContact OG1-CG2 3.23Å; T451-V460 WeakPolarHBondContact OG1-CG2 3.31Å
452R95.2Very high91.4Very high145 Ų14596 Ų9655%0.54749%0.487SS..EExtended strand (participates in β ladder)trans-143.3150.817458.1-172.9-178.3-96.2-15.2110.7S450 E459S450-R452 PolarHBondContact O-N 2.87Å; R452-E459 HydrophobicContact CG-CG 3.67Å; R452-E459 IonicContact CZ-OE1 2.72Å; R452-E459 PolarHBondContact N-O 3.15Å; R452-E459 IonicContact NE-OE1 3.99Å; R452-E459 PolarHBondContact NE-OE1 3.44Å; R452-E459 IonicContact NH2-OE1 2.91Å; R452-E459 PolarHBondContact NH2-OE1 3.49Å; R452-E459 IonicContact NH2-OE2 3.42Å; R452-E459 PolarHBondContact O-N 3.46Å
453K93.9Very high91.6Very high142 Ų14295.5 Ų95.562%0.61749%0.492SS*.EExtended strand (participates in β ladder)trans-83.4120.3175.3-168.5177.8179.5-176.70108.7G455 Y458K453-G455 WeakPolarHBondContact CE-O 3.28Å; K453-Y458 HydrophobicContact CB-CD1 4.03Å; K453-Y458 HydrophobicContact CB-CE1 3.84Å; K453-Y458 HydrophobicContact CD-CE1 4.29Å; K453-Y458 HydrophobicContact CG-CD1 4.36Å; K453-Y458 HydrophobicContact CG-CE1 4.07Å
454R90.6Very high91.5Very high178 Ų17898.6 Ų98.667%0.67250%0.498SS*.EExtended strand (participates in β ladder)trans-115.498.4176.5-160.2175.9176.1-158.7-1.3108.6S456 R457 E459R454-S456 PolarHBondContact O-N 3.29Å; R454-R457 CarbonylContact C-O 3.6Å; R454-R457 PolarHBondContact N-O 3.07Å; R454-R457 PolarHBondContact O-N 2.93Å; R454-E459 HydrophobicContact CB-CG 4.36Å; R454-E459 WeakPolarHBondContact CD-OE1 3.43Å; R454-E459 VanDerWaalsContact CD-OE2 3.28Å; R454-E459 WeakPolarHBondContact CD-OE2 3.47Å; R454-E459 IonicContact NH1-OE2 3.86Å
455G92.2Very high91.1Very high67 Ų67102.1 Ų102.169%0.69151%0.512SS*.THydrogen-bonded Turntrans63-119.7-173.600000112.4K453K453-G455 WeakPolarHBondContact CE-O 3.28Å
456S90.3Very high90.8Very high116 Ų116104.5 Ų104.581%0.81152%0.518SS*.THydrogen-bonded Turntrans-89.5-0.2179.360.50000114.5R454R454-S456 PolarHBondContact O-N 3.29Å
457R88.2Confident90.1Very high196 Ų196109.4 Ų109.474%0.7454%0.544SS*.EExtended strand (participates in β ladder)trans-123.9159.2-177-56.5-174.2-171.2-165.82.9110.9R454R454-R457 CarbonylContact C-O 3.6Å; R454-R457 PolarHBondContact N-O 3.07Å; R454-R457 PolarHBondContact O-N 2.93Å
458Y91.7Very high89.7Confident169 Ų169112.9 Ų112.966%0.66356%0.563SS**EExtended strand (participates in β ladder)trans-96.8137.6167.2-68.8-87.6000108.3K453K453-Y458 HydrophobicContact CB-CD1 4.03Å; K453-Y458 HydrophobicContact CB-CE1 3.84Å; K453-Y458 HydrophobicContact CD-CE1 4.29Å; K453-Y458 HydrophobicContact CG-CD1 4.36Å; K453-Y458 HydrophobicContact CG-CE1 4.07Å
459E93.4Very high89.3Confident50 Ų50106.9 Ų106.923%0.23454%0.541CS..EExtended strand (participates in β ladder)trans-109.4141.1164.164.6-172.9-177.600108.8T451 R452 R454T451-E459 CarbonylContact C-O 3.46Å; T451-E459 VanDerWaalsContact CA-O 3.29Å; T451-E459 WeakPolarHBondContact CA-O 3.5Å; R452-E459 HydrophobicContact CG-CG 3.67Å; R452-E459 IonicContact CZ-OE1 2.72Å; R452-E459 PolarHBondContact N-O 3.15Å; R452-E459 IonicContact NE-OE1 3.99Å; R452-E459 PolarHBondContact NE-OE1 3.44Å; R452-E459 IonicContact NH2-OE1 2.91Å; R452-E459 PolarHBondContact NH2-OE1 3.49Å; R452-E459 IonicContact NH2-OE2 3.42Å; R452-E459 PolarHBondContact O-N 3.46Å; R454-E459 HydrophobicContact CB-CG 4.36Å; R454-E459 WeakPolarHBondContact CD-OE1 3.43Å; R454-E459 VanDerWaalsContact CD-OE2 3.28Å; R454-E459 WeakPolarHBondContact CD-OE2 3.47Å; R454-E459 IonicContact NH1-OE2 3.86Å
460V92.9Very high89Confident80 Ų80110.3 Ų110.349%0.48555%0.549SS..  trans-136.8140.4176.966.20000108.2L447 T451L447-V460 HydrophobicContact CD2-CG2 3.78Å; L447-V460 HydrophobicContact CG-CG2 4.44Å; T451-V460 VanDerWaalsContact OG1-CG2 3.23Å; T451-V460 WeakPolarHBondContact OG1-CG2 3.31Å
461G89.8Confident88.7Confident25 Ų25115.2 Ų115.226%0.25857%0.573SS.*  trans-66.3145.4173.300000110.9S450 L463S450-G461 VanDerWaalsContact OG-CA 3.27Å; S450-G461 WeakPolarHBondContact OG-CA 3.33Å; S450-G461 PolarHBondContact OG-N 3.27Å; G461-L463 PolarHBondContact O-N 2.93Å
462L90.3Very high88.4Confident114 Ų114117.5 Ų117.560%0.59759%0.589SS**  trans-63.4136.3173.9-68.6168.5000109.7W464L462-W464 HydrophobicContact CB-CD2 4.2Å; L462-W464 HydrophobicContact CB-CG 4.36Å; L462-W464 HydrophobicContact CB-CZ2 4.09Å; L462-W464 HydrophobicContact CD1-CH2 4.07Å; L462-W464 HydrophobicContact CD1-CZ2 3.33Å; L462-W464 HydrophobicContact CG-CZ2 4.34Å; L462-W464 PolarHBondContact O-N 3.21Å
463L90.9Very high88.2Confident94 Ų94116.7 Ų116.749%0.49260%0.595SS.*  trans-76.561.5-178.7-62.5-178.8000111.3S443 I446 L447 G461 K465S443-L463 WeakPolarHBondContact O-CD2 3.45Å; I446-L463 HydrophobicContact CB-CD2 4.06Å; I446-L463 HydrophobicContact CG2-CD2 3.98Å; L447-L463 HydrophobicContact CD1-CD1 4.24Å; L447-L463 HydrophobicContact CD1-CD2 4.02Å; L447-L463 HydrophobicContact CG-CD2 3.92Å; G461-L463 PolarHBondContact O-N 2.93Å; L463-K465 PolarHBondContact O-N 3.24Å
464W86.8Confident88.2Confident103 Ų103115 Ų11539%0.3959%0.593SS.*  trans-63.3134.5-178.4-61.6114.9000111.1L462 N466 P469 L471L462-W464 HydrophobicContact CB-CD2 4.2Å; L462-W464 HydrophobicContact CB-CG 4.36Å; L462-W464 HydrophobicContact CB-CZ2 4.09Å; L462-W464 HydrophobicContact CD1-CH2 4.07Å; L462-W464 HydrophobicContact CD1-CZ2 3.33Å; L462-W464 HydrophobicContact CG-CZ2 4.34Å; L462-W464 PolarHBondContact O-N 3.21Å; W464-N466 VanDerWaalsContact C-N 3.26Å; W464-N466 WeakPolarHBondContact CB-O 3.07Å; W464-N466 PolarHBondContact O-N 3Å; W464-P469 HydrophobicContact CB-CG 4.45Å; W464-P469 HydrophobicContact CD2-CB 3.91Å; W464-P469 HydrophobicContact CD2-CG 3.62Å; W464-P469 HydrophobicContact CE3-CB 3.8Å; W464-P469 HydrophobicContact CE3-CG 4.04Å; W464-P469 HydrophobicContact CG-CB 4.34Å; W464-P469 HydrophobicContact CG-CG 3.82Å; W464-P469 HydrophobicContact CZ2-CG 4.24Å; W464-P469 HydrophobicContact CZ3-CB 4.19Å; W464-L471 HydrophobicContact CH2-CD2 3.78Å; W464-L471 HydrophobicContact CZ3-CD2 4.21Å
465K81.9Confident88.3Confident140 Ų140114.9 Ų114.961%0.60959%0.592SS**SBendtrans-61.6-37.6173.7-169.1170.7-178.7152.90111.9E439 R442 L463E439-K465 WeakPolarHBondContact OE1-CE 3.48Å; E439-K465 IonicContact OE1-NZ 3.69Å; E439-K465 PolarHBondContact OE1-NZ 3.43Å; R442-K465 PolarHBondContact NH1-O 3.48Å; L463-K465 PolarHBondContact O-N 3.24Å
466N82.6Confident88.5Confident100 Ų100116.2 Ų116.254%0.53559%0.589SS.*SBendtrans-113.5137.3177.4-63-19.4000109.4W464 N468 P469W464-N466 VanDerWaalsContact C-N 3.26Å; W464-N466 WeakPolarHBondContact CB-O 3.07Å; W464-N466 PolarHBondContact O-N 3Å; N466-N468 PolarHBondContact O-N 3.05Å; N466-P469 WeakPolarHBondContact O-CD 3.46Å
467L77.6Confident88.6Confident130 Ų130116.4 Ų116.468%0.68158%0.577SS**SBendtrans-64-28.7-178-78.1159.2000113.2P469L467-P469 WeakPolarHBondContact O-CD 3.3Å
468N83.5Confident88.9Confident147 Ų147109.4 Ų109.479%0.78656%0.562SS**SBendtrans-116.581.4173.5-74.4-16.2000109N466 E470N466-N468 PolarHBondContact O-N 3.05Å; N468-E470 PolarHBondContact O-N 3.44Å
469P83.6Confident89.2Confident45 Ų45105.8 Ų105.829%0.29255%0.553SS.*  trans-68120.5174.229.6-33.9000109.4W464 N466 L467 L471W464-P469 HydrophobicContact CB-CG 4.45Å; W464-P469 HydrophobicContact CD2-CB 3.91Å; W464-P469 HydrophobicContact CD2-CG 3.62Å; W464-P469 HydrophobicContact CE3-CB 3.8Å; W464-P469 HydrophobicContact CE3-CG 4.04Å; W464-P469 HydrophobicContact CG-CB 4.34Å; W464-P469 HydrophobicContact CG-CG 3.82Å; W464-P469 HydrophobicContact CZ2-CG 4.24Å; W464-P469 HydrophobicContact CZ3-CB 4.19Å; N466-P469 WeakPolarHBondContact O-CD 3.46Å; L467-P469 WeakPolarHBondContact O-CD 3.3Å; P469-L471 PolarHBondContact O-N 3.46Å
470E86.3Confident89.3Confident190 Ų190105.3 Ų105.389%0.88856%0.562SS**  trans-76.9105.5166.6-71.4-177.3-177.100108.6N468N468-E470 PolarHBondContact O-N 3.44Å
471L86.4Confident89.5Confident125 Ų125109.7 Ų109.765%0.65457%0.57SS**  trans-86.4120.2174.7-64.8174.2000108.6W464 P469W464-L471 HydrophobicContact CH2-CD2 3.78Å; W464-L471 HydrophobicContact CZ3-CD2 4.21Å; P469-L471 PolarHBondContact O-N 3.46Å
472P88.2Confident89.8Confident111 Ų111112.6 Ų112.672%0.72158%0.578SS**  trans-62145.7177.225.5-33000110.2N474P472-N474 PolarHBondContact O-N 3.5Å
473N91Very high90.1Very high129 Ų129109 Ų10969%0.6957%0.565SS**  trans-64.199.7175.8-177.8-7000110R475N473-R475 VanDerWaalsContact C-N 3.31Å; N473-R475 WeakPolarHBondContact OD1-CB 3.38Å; N473-R475 PolarHBondContact OD1-N 2.76Å
474N93.5Very high90.3Very high106 Ų106106.5 Ų106.557%0.56756%0.558SS**  trans-87.97.2-179.769.5-1.6000113.2P472 Q477 A478P472-N474 PolarHBondContact O-N 3.5Å; N474-Q477 PolarHBondContact O-N 2.95Å; N474-Q477 VanDerWaalsContact O-N 3.12Å; N474-A478 WeakPolarHBondContact O-CB 3.44Å; N474-A478 PolarHBondContact O-N 2.8Å
475R93.8Very high90.7Very high175 Ų175103.5 Ų103.566%0.6655%0.55SS*.Hα-helixtrans-54.6-45.9-178-176.4179.6178.9177-0113.2N473 Q477 A478 L479N473-R475 VanDerWaalsContact C-N 3.31Å; N473-R475 WeakPolarHBondContact OD1-CB 3.38Å; N473-R475 PolarHBondContact OD1-N 2.76Å; R475-Q477 VanDerWaalsContact C-N 3.32Å; R475-Q477 PolarHBondContact O-N 2.68Å; R475-A478 PolarHBondContact O-N 2.96Å; R475-L479 HydrophobicContact CG-CD1 3.92Å; R475-L479 HydrophobicContact CG-CG 4.34Å; R475-L479 WeakPolarHBondContact O-CB 3.32Å; R475-L479 WeakPolarHBondContact O-CG 3.42Å; R475-L479 PolarHBondContact O-N 3.13Å
476P95.1Very high91.4Very high96 Ų96101.2 Ų101.262%0.62354%0.541SS*.Hα-helixtrans-61.8-40.1177.8-21.833.6000112.4G480P476-G480 PolarHBondContact O-N 3.04Å
477Q93.8Very high92Very high119 Ų119104.7 Ų104.756%0.55655%0.547SS*.Hα-helixtrans-70.4-40179.2-163.9-1777000111.6N474 R475 G480 R481N474-Q477 PolarHBondContact O-N 2.95Å; N474-Q477 VanDerWaalsContact O-N 3.12Å; R475-Q477 VanDerWaalsContact C-N 3.32Å; R475-Q477 PolarHBondContact O-N 2.68Å; Q477-G480 PolarHBondContact O-N 2.57Å; Q477-R481 WeakPolarHBondContact O-CG 3.44Å; Q477-R481 PolarHBondContact O-N 2.96Å
478A94.7Very high92.8Very high50 Ų50104.9 Ų104.941%0.41354%0.538SS..Hα-helixtrans-64.5-45.1175.700000111.6N474 R475 R481 L482N474-A478 WeakPolarHBondContact O-CB 3.44Å; N474-A478 PolarHBondContact O-N 2.8Å; R475-A478 PolarHBondContact O-N 2.96Å; A478-R481 PolarHBondContact O-N 3.3Å; A478-L482 PolarHBondContact O-N 2.88Å
479L96.8Very high93.3Very high93 Ų9399 Ų9949%0.48751%0.507SS..Hα-helixtrans-62.7-41.8174.3-73.8172.4000111.8R475 R481 L482 A483R475-L479 HydrophobicContact CG-CD1 3.92Å; R475-L479 HydrophobicContact CG-CG 4.34Å; R475-L479 WeakPolarHBondContact O-CB 3.32Å; R475-L479 WeakPolarHBondContact O-CG 3.42Å; R475-L479 PolarHBondContact O-N 3.13Å; L479-R481 PolarHBondContact O-N 3.18Å; L479-L482 PolarHBondContact O-N 2.69Å; L479-A483 WeakPolarHBondContact O-CB 3.34Å; L479-A483 PolarHBondContact O-N 3.41Å
480G96.3Very high93.8Very high40 Ų40104 Ų10441%0.41253%0.525SS..Hα-helixtrans-61.2-41.4174.600000112.9P476 Q477 A484P476-G480 PolarHBondContact O-N 3.04Å; Q477-G480 PolarHBondContact O-N 2.57Å; G480-A484 WeakPolarHBondContact O-CB 2.85Å; G480-A484 PolarHBondContact O-N 3.34Å
481R95.9Very high94.3Very high172 Ų17299.2 Ų99.265%0.64952%0.517SS*.Hα-helixtrans-66.6-38.5174.3-74.8-179.4-179.61773.3112.3Q477 A478 L479 A484 L485Q477-R481 WeakPolarHBondContact O-CG 3.44Å; Q477-R481 PolarHBondContact O-N 2.96Å; A478-R481 PolarHBondContact O-N 3.3Å; L479-R481 PolarHBondContact O-N 3.18Å; R481-A484 PolarHBondContact O-N 3.04Å; R481-L485 VanDerWaalsContact O-CB 3.31Å; R481-L485 WeakPolarHBondContact O-CB 3.32Å; R481-L485 PolarHBondContact O-N 3.43Å
482L95.9Very high94.6Very high85 Ų8595.1 Ų95.145%0.44550%0.496SS..Hα-helixtrans-63.5-48.7174.7178.762.9000111.2A478 L479 A484 L485 Q486A478-L482 PolarHBondContact O-N 2.88Å; L479-L482 PolarHBondContact O-N 2.69Å; L482-A484 VanDerWaalsContact C-N 3.31Å; L482-A484 PolarHBondContact O-N 3.39Å; L482-L485 WeakPolarHBondContact O-CB 3.48Å; L482-L485 PolarHBondContact O-N 2.81Å; L482-L485 VanDerWaalsContact O-N 3.16Å; L482-Q486 HydrophobicContact CD1-CG 4.34Å; L482-Q486 WeakPolarHBondContact O-CG 3.38Å; L482-Q486 PolarHBondContact O-N 2.93Å
483A96.7Very high94.8Very high38 Ų3893.3 Ų93.331%0.31449%0.49SS..Hα-helixtrans-61.8-39.4177.300000111.9L479 R487L479-A483 WeakPolarHBondContact O-CB 3.34Å; L479-A483 PolarHBondContact O-N 3.41Å; A483-R487 WeakPolarHBondContact O-CG 3.32Å; A483-R487 PolarHBondContact O-N 3.06Å
484A95.9Very high94.8Very high43 Ų4394.5 Ų94.536%0.35549%0.489SS..Hα-helixtrans-65.6-40.3174.100000112.5G480 R481 L482 R488G480-A484 WeakPolarHBondContact O-CB 2.85Å; G480-A484 PolarHBondContact O-N 3.34Å; R481-A484 PolarHBondContact O-N 3.04Å; L482-A484 VanDerWaalsContact C-N 3.31Å; L482-A484 PolarHBondContact O-N 3.39Å; A484-R488 PolarHBondContact O-N 2.85Å
485L95.5Very high94.6Very high39 Ų3989.7 Ų89.720%0.20446%0.463CS..Hα-helixtrans-63.2-48.8175177.964.4000110.8R481 L482 R487 R488 L489 Y499R481-L485 VanDerWaalsContact O-CB 3.31Å; R481-L485 WeakPolarHBondContact O-CB 3.32Å; R481-L485 PolarHBondContact O-N 3.43Å; L482-L485 WeakPolarHBondContact O-CB 3.48Å; L482-L485 PolarHBondContact O-N 2.81Å; L482-L485 VanDerWaalsContact O-N 3.16Å; L485-R487 PolarHBondContact O-N 3.08Å; L485-R488 CarbonylContact O-C 3.56Å; L485-R488 WeakPolarHBondContact O-CA 3.41Å; L485-R488 WeakPolarHBondContact O-CB 3.31Å; L485-R488 PolarHBondContact O-N 2.84Å; L485-L489 HydrophobicContact CD1-CD1 4.14Å; L485-L489 HydrophobicContact CD1-CD2 4.5Å; L485-L489 HydrophobicContact CD1-CG 4.16Å; L485-L489 HydrophobicContact CG-CD1 3.9Å; L485-L489 HydrophobicContact CG-CG 4.33Å; L485-L489 WeakPolarHBondContact O-CG 3.44Å; L485-L489 PolarHBondContact O-N 2.77Å; L485-Y499 HydrophobicContact CD1-CD2 4.39Å; L485-Y499 HydrophobicContact CD1-CE2 3.83Å; L485-Y499 HydrophobicContact CD2-CE1 3.9Å; L485-Y499 HydrophobicContact CD2-CE2 4.48Å
486Q95.5Very high94.6Very high92 Ų9285.5 Ų85.543%0.4345%0.452SS..Hα-helixtrans-56.5-47.6177-74.5174.8-3900111.5L482 R488 L489 F490L482-Q486 HydrophobicContact CD1-CG 4.34Å; L482-Q486 WeakPolarHBondContact O-CG 3.38Å; L482-Q486 PolarHBondContact O-N 2.93Å; Q486-R488 VanDerWaalsContact C-N 3.27Å; Q486-R488 PolarHBondContact O-N 3.15Å; Q486-L489 PolarHBondContact O-N 3.3Å; Q486-F490 HydrophobicContact CB-CD2 4.37Å; Q486-F490 HydrophobicContact CB-CE2 4.16Å; Q486-F490 WeakPolarHBondContact O-CD2 3.23Å; Q486-F490 WeakPolarHBondContact O-CG 3.39Å; Q486-F490 PolarHBondContact O-N 3.37Å
487R96.1Very high94.4Very high173 Ų17389.1 Ų89.165%0.65346%0.46SS*.Hα-helixtrans-58-38.8174.2-74.6-173.8-65-137.10.8112.8A483 L485 A491A483-R487 WeakPolarHBondContact O-CG 3.32Å; A483-R487 PolarHBondContact O-N 3.06Å; L485-R487 PolarHBondContact O-N 3.08Å; R487-A491 VanDerWaalsContact O-CB 3.31Å; R487-A491 WeakPolarHBondContact O-CB 3.48Å; R487-A491 PolarHBondContact O-N 3.49Å
488R95.1Very high94.1Very high134 Ų13486.6 Ų86.651%0.50646%0.459SS..Hα-helixtrans-68.8-38.5177.5-117.2179.766.8-169.7-0.2112.7A484 L485 Q486 D492 L495A484-R488 PolarHBondContact O-N 2.85Å; L485-R488 CarbonylContact O-C 3.56Å; L485-R488 WeakPolarHBondContact O-CA 3.41Å; L485-R488 WeakPolarHBondContact O-CB 3.31Å; L485-R488 PolarHBondContact O-N 2.84Å; Q486-R488 VanDerWaalsContact C-N 3.27Å; Q486-R488 PolarHBondContact O-N 3.15Å; R488-D492 PolarHBondContact O-N 3.17Å; R488-L495 HydrophobicContact CB-CD2 4.49Å
489L94.3Very high93.6Very high23 Ų2393 Ų9312%0.1247%0.474CS..Hα-helixtrans-69.8-48.8177.9-64.9171.5000110.2L485 Q486 A491 D492 L495 E496 Y499L485-L489 HydrophobicContact CD1-CD1 4.14Å; L485-L489 HydrophobicContact CD1-CD2 4.5Å; L485-L489 HydrophobicContact CD1-CG 4.16Å; L485-L489 HydrophobicContact CG-CD1 3.9Å; L485-L489 HydrophobicContact CG-CG 4.33Å; L485-L489 WeakPolarHBondContact O-CG 3.44Å; L485-L489 PolarHBondContact O-N 2.77Å; Q486-L489 PolarHBondContact O-N 3.3Å; L489-A491 PolarHBondContact O-N 3.06Å; L489-A491 VanDerWaalsContact O-N 3.13Å; L489-D492 CarbonylContact O-C 3.6Å; L489-D492 PolarHBondContact O-N 3.45Å; L489-D492 VanDerWaalsContact O-N 3.07Å; L489-L495 HydrophobicContact CD2-CD2 4.22Å; L489-L495 HydrophobicContact CD2-CG 3.88Å; L489-E496 HydrophobicContact CB-CB 4.14Å; L489-E496 HydrophobicContact CB-CG 4.26Å; L489-Y499 HydrophobicContact CD1-CD1 4.39Å; L489-Y499 HydrophobicContact CD1-CG 4.31Å; L489-Y499 HydrophobicContact CD2-CD2 4.01Å; L489-Y499 HydrophobicContact CD2-CG 3.9Å
490F94.2Very high93.4Very high152 Ų15293 Ų9367%0.66747%0.474SS*.Hα-helixtrans-61.4-24.2177-70-50.1000114.2Q486Q486-F490 HydrophobicContact CB-CD2 4.37Å; Q486-F490 HydrophobicContact CB-CE2 4.16Å; Q486-F490 WeakPolarHBondContact O-CD2 3.23Å; Q486-F490 WeakPolarHBondContact O-CG 3.39Å; Q486-F490 PolarHBondContact O-N 3.37Å
491A94.9Very high93.3Very high89 Ų8995.8 Ų95.874%0.73648%0.477SS*.Hα-helixtrans-85.1-17.6177.500000114.2R487 L489R487-A491 VanDerWaalsContact O-CB 3.31Å; R487-A491 WeakPolarHBondContact O-CB 3.48Å; R487-A491 PolarHBondContact O-N 3.49Å; L489-A491 PolarHBondContact O-N 3.06Å; L489-A491 VanDerWaalsContact O-N 3.13Å
492D93.2Very high93.1Very high38 Ų3891.6 Ų91.620%0.20347%0.467CS..  trans-136.293.4179.7-178.8-6.1000109.4K96 R488 L489 K494 L495 E496K96-D492 WeakPolarHBondContact CE-OD2 3.42Å; K96-D492 IonicContact NZ-OD1 3.06Å; K96-D492 PolarHBondContact NZ-OD1 3.21Å; K96-D492 VanDerWaalsContact NZ-OD1 3.09Å; K96-D492 IonicContact NZ-OD2 2.76Å; K96-D492 PolarHBondContact NZ-OD2 2.84Å; R488-D492 PolarHBondContact O-N 3.17Å; L489-D492 CarbonylContact O-C 3.6Å; L489-D492 PolarHBondContact O-N 3.45Å; L489-D492 VanDerWaalsContact O-N 3.07Å; D492-K494 PolarHBondContact O-N 3.33Å; D492-K494 VanDerWaalsContact O-N 3.11Å; D492-K494 WeakPolarHBondContact OD1-CB 3.39Å; D492-K494 PolarHBondContact OD1-N 3.05Å; D492-K494 VanDerWaalsContact OD1-N 3.13Å; D492-L495 HydrophobicContact CB-CB 3.71Å; D492-L495 WeakPolarHBondContact O-CA 3.39Å; D492-L495 VanDerWaalsContact O-CB 3.3Å; D492-L495 WeakPolarHBondContact O-CB 3.45Å; D492-L495 PolarHBondContact O-N 3.17Å; D492-L495 PolarHBondContact OD1-N 3.11Å; D492-E496 PolarHBondContact O-N 3.34Å
493A92.2Very high93Very high73 Ų7391.9 Ų91.960%0.60347%0.468SS*.Hα-helixtrans-55-31.7-179.500000113.3E496 E497A493-E496 PolarHBondContact O-N 3.21Å; A493-E497 WeakPolarHBondContact O-CB 3.42Å; A493-E497 PolarHBondContact O-N 3.31Å
494K91.6Very high92.7Very high155 Ų15595.3 Ų95.367%0.67448%0.478SS*.Hα-helixtrans-72.3-29.9174.4-80.2-177.1177.3177.70112.5D492 A498D492-K494 PolarHBondContact O-N 3.33Å; D492-K494 VanDerWaalsContact O-N 3.11Å; D492-K494 WeakPolarHBondContact OD1-CB 3.39Å; D492-K494 PolarHBondContact OD1-N 3.05Å; D492-K494 VanDerWaalsContact OD1-N 3.13Å; K494-A498 WeakPolarHBondContact O-CB 3.44Å; K494-A498 PolarHBondContact O-N 2.91Å
495L90Very high92.5Very high4 Ų498.8 Ų98.82%0.02149%0.486CS..Hα-helixtrans-74.3-39.7174.3-176.369.4000110.4P97 R488 L489 D492 A498 Y499P97-L495 HydrophobicContact CB-CD1 3.62Å; P97-L495 HydrophobicContact CG-CD1 3.51Å; R488-L495 HydrophobicContact CB-CD2 4.49Å; L489-L495 HydrophobicContact CD2-CD2 4.22Å; L489-L495 HydrophobicContact CD2-CG 3.88Å; D492-L495 HydrophobicContact CB-CB 3.71Å; D492-L495 WeakPolarHBondContact O-CA 3.39Å; D492-L495 VanDerWaalsContact O-CB 3.3Å; D492-L495 WeakPolarHBondContact O-CB 3.45Å; D492-L495 PolarHBondContact O-N 3.17Å; D492-L495 PolarHBondContact OD1-N 3.11Å; L495-A498 PolarHBondContact O-N 2.76Å; L495-Y499 PolarHBondContact O-N 2.79Å
496E92Very high92.3Very high88 Ų88103.1 Ų103.141%0.41151%0.506SS..Hα-helixtrans-59.8-46.7174.5-172.3170.9-151.400112.1L489 D492 A493 A498 Y499L489-E496 HydrophobicContact CB-CB 4.14Å; L489-E496 HydrophobicContact CB-CG 4.26Å; D492-E496 PolarHBondContact O-N 3.34Å; A493-E496 PolarHBondContact O-N 3.21Å; E496-A498 PolarHBondContact O-N 2.79Å; E496-Y499 PolarHBondContact O-N 3.37Å
497E91.5Very high92.1Very high172 Ų172103.9 Ų103.980%0.80451%0.512SS*.Hα-helixtrans-65.3-25.3177.5-168.7178.5-163.300113.4A493A493-E497 WeakPolarHBondContact O-CB 3.42Å; A493-E497 PolarHBondContact O-N 3.31Å
498A87.7Confident91.7Very high65 Ų6598.2 Ų98.254%0.53750%0.501SS..Hα-helixtrans-89.2-13.3-178.600000114.4P97 K494 L495 E496P97-A498 HydrophobicContact CG-CB 4.09Å; K494-A498 WeakPolarHBondContact O-CB 3.44Å; K494-A498 PolarHBondContact O-N 2.91Å; L495-A498 PolarHBondContact O-N 2.76Å; E496-A498 PolarHBondContact O-N 2.79Å
499Y84.3Confident91.4Very high185 Ų18594.9 Ų94.973%0.72550%0.5SS*.  trans-93.60-175.6-152.1-81.8000111L485 L489 L495 E496L485-Y499 HydrophobicContact CD1-CD2 4.39Å; L485-Y499 HydrophobicContact CD1-CE2 3.83Å; L485-Y499 HydrophobicContact CD2-CE1 3.9Å; L485-Y499 HydrophobicContact CD2-CE2 4.48Å; L489-Y499 HydrophobicContact CD1-CD1 4.39Å; L489-Y499 HydrophobicContact CD1-CG 4.31Å; L489-Y499 HydrophobicContact CD2-CD2 4.01Å; L489-Y499 HydrophobicContact CD2-CG 3.9Å; L495-Y499 PolarHBondContact O-N 2.79Å; E496-Y499 PolarHBondContact O-N 3.37Å

Retrieved 499 of 499 residues in 659.4 ms (Link to these results)

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