A0A077ZJH8_TRITR Loading...

DnaJ homologue subfamily C GRV2/DNAJC13 N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZJH8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 676 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
1M44.7Very low54.7Low154 Ų15492.9 Ų92.976%0.75948%0.484SS*.  01290-82.5-166.7-7700107.7Q5 L6M1-Q5 HydrophobicContact CB-CB 4.1Å; M1-Q5 HydrophobicContact CG-CB 4.28Å; M1-Q5 HydrophobicContact SD-CB 4.42Å; M1-L6 HydrophobicContact CB-CB 4.44Å; M1-L6 HydrophobicContact CB-CD1 4.06Å; M1-L6 HydrophobicContact CE-CD1 3.95Å; M1-L6 HydrophobicContact CE-CG 4.35Å
2T54.5Low55.4Low56 Ų5688.8 Ų88.834%0.34447%0.474SS..  trans-61.3152.6172.848.40000109.5C4 Q5 L6T2-C4 PolarHBondContact O-N 3.48Å; T2-Q5 PolarHBondContact O-N 3.16Å; T2-Q5 WeakPolarHBondContact OG1-CG 2.99Å; T2-L6 PolarHBondContact O-N 3.23Å
3V53Low56.3Low127 Ų12790.1 Ų90.177%0.7748%0.479SS*.Hα-helixtrans-49.8-34.3-179.6176.90000111.5S7V3-S7 VanDerWaalsContact O-CB 3.28Å; V3-S7 WeakPolarHBondContact O-CB 3.16Å; V3-S7 PolarHBondContact O-N 3.06Å; V3-S7 PolarHBondContact O-OG 3.12Å
4C45.5Very low56.7Low42 Ų4294.6 Ų94.628%0.28449%0.487SS..Hα-helixtrans-72.7-34.9174.6-68.20000115.6T2 L6 S7 R8 L79T2-C4 PolarHBondContact O-N 3.48Å; C4-L6 VanDerWaalsContact C-N 3.33Å; C4-S7 VanDerWaalsContact CA-OG 3.32Å; C4-S7 WeakPolarHBondContact CA-OG 3.25Å; C4-S7 PolarHBondContact O-OG 3.06Å; C4-R8 WeakPolarHBondContact O-CB 3.4Å; C4-R8 VanDerWaalsContact O-CG 3.26Å; C4-R8 WeakPolarHBondContact O-CG 3.49Å; C4-R8 PolarHBondContact O-N 3.08Å; C4-L79 HydrophobicContact CB-CD2 4.05Å; C4-L79 WeakPolarHBondContact SG-CD2 3.43Å
5Q48.4Very low57.2Low99 Ų9992.2 Ų92.246%0.46348%0.478SS..Hα-helixtrans-67.4-41.4172.4-77.8177.5-22.800110.3M1 T2 R8 H9M1-Q5 HydrophobicContact CB-CB 4.1Å; M1-Q5 HydrophobicContact CG-CB 4.28Å; M1-Q5 HydrophobicContact SD-CB 4.42Å; T2-Q5 PolarHBondContact O-N 3.16Å; T2-Q5 WeakPolarHBondContact OG1-CG 2.99Å; Q5-R8 PolarHBondContact O-N 3.48Å; Q5-H9 WeakPolarHBondContact O-CB 3.22Å; Q5-H9 PolarHBondContact O-N 2.98Å
6L56.3Low57.9Low78 Ų7892.8 Ų92.841%0.40849%0.487SS..Hα-helixtrans-66-42.7177.1-145.8129.4000110.4M1 T2 C4 H9 L10M1-L6 HydrophobicContact CB-CB 4.44Å; M1-L6 HydrophobicContact CB-CD1 4.06Å; M1-L6 HydrophobicContact CE-CD1 3.95Å; M1-L6 HydrophobicContact CE-CG 4.35Å; T2-L6 PolarHBondContact O-N 3.23Å; C4-L6 VanDerWaalsContact C-N 3.33Å; L6-H9 PolarHBondContact O-N 3.43Å; L6-L10 HydrophobicContact CD2-CD1 3.74Å; L6-L10 HydrophobicContact CD2-CG 4.32Å; L6-L10 VanDerWaalsContact O-CB 3.32Å; L6-L10 WeakPolarHBondContact O-CB 3.44Å; L6-L10 VanDerWaalsContact O-CG 3.23Å; L6-L10 WeakPolarHBondContact O-CG 3.29Å; L6-L10 PolarHBondContact O-N 2.73Å
7S56.5Low58.5Low48 Ų4891.5 Ų91.534%0.33650%0.502SS..Hα-helixtrans-64.7-41175.974.40000112V3 C4 L10 I11V3-S7 VanDerWaalsContact O-CB 3.28Å; V3-S7 WeakPolarHBondContact O-CB 3.16Å; V3-S7 PolarHBondContact O-N 3.06Å; V3-S7 PolarHBondContact O-OG 3.12Å; C4-S7 VanDerWaalsContact CA-OG 3.32Å; C4-S7 WeakPolarHBondContact CA-OG 3.25Å; C4-S7 PolarHBondContact O-OG 3.06Å; S7-L10 PolarHBondContact O-N 3.49Å; S7-I11 WeakPolarHBondContact O-CB 3.47Å; S7-I11 WeakPolarHBondContact O-CD1 3.37Å; S7-I11 WeakPolarHBondContact O-CG1 3.43Å; S7-I11 PolarHBondContact O-N 3.44Å
8R53.9Low59.4Low104 Ų10488.3 Ų88.339%0.39248%0.484SS..Hα-helixtrans-63.5-42173.7-76.4175.7-177.5-165.1-0.6112.4C4 Q5 I11 A12 V82 V86C4-R8 WeakPolarHBondContact O-CB 3.4Å; C4-R8 VanDerWaalsContact O-CG 3.26Å; C4-R8 WeakPolarHBondContact O-CG 3.49Å; C4-R8 PolarHBondContact O-N 3.08Å; Q5-R8 PolarHBondContact O-N 3.48Å; R8-I11 PolarHBondContact O-N 3.43Å; R8-A12 VanDerWaalsContact O-CB 3.27Å; R8-A12 WeakPolarHBondContact O-CB 3.36Å; R8-A12 PolarHBondContact O-N 3.15Å; R8-V82 VanDerWaalsContact NH1-CG1 3.33Å; R8-V82 PolarHBondContact NH2-O 3.48Å; R8-V86 VanDerWaalsContact NH1-CG2 3.29Å
9H60Low60.1Low113 Ų11390.2 Ų90.252%0.52349%0.493SS..Hα-helixtrans-67.9-39.2178.4-155.560.5000111.1Q5 L6 A12 L13Q5-H9 WeakPolarHBondContact O-CB 3.22Å; Q5-H9 PolarHBondContact O-N 2.98Å; L6-H9 PolarHBondContact O-N 3.43Å; H9-A12 PolarHBondContact O-N 2.9Å; H9-L13 WeakPolarHBondContact O-CB 3.37Å; H9-L13 WeakPolarHBondContact O-CD1 3.47Å; H9-L13 WeakPolarHBondContact O-CG 3.14Å; H9-L13 PolarHBondContact O-N 3.44Å
10L64.4Low60.5Low100 Ų10089 Ų8952%0.52449%0.485SS..Hα-helixtrans-65.2-43.3172.9-74.9172.5000112.2L6 S7 L13 W14L6-L10 HydrophobicContact CD2-CD1 3.74Å; L6-L10 HydrophobicContact CD2-CG 4.32Å; L6-L10 VanDerWaalsContact O-CB 3.32Å; L6-L10 WeakPolarHBondContact O-CB 3.44Å; L6-L10 VanDerWaalsContact O-CG 3.23Å; L6-L10 WeakPolarHBondContact O-CG 3.29Å; L6-L10 PolarHBondContact O-N 2.73Å; S7-L10 PolarHBondContact O-N 3.49Å; L10-L13 PolarHBondContact O-N 3.36Å; L10-W14 WeakPolarHBondContact O-CB 3.3Å; L10-W14 PolarHBondContact O-N 2.98Å
11I64.1Low61Low101 Ų10185.5 Ų85.552%0.51847%0.467SS..Hα-helixtrans-62.1-46.5174.2-70.1163.1000109.1S7 R8 L13 W14 T15S7-I11 WeakPolarHBondContact O-CB 3.47Å; S7-I11 WeakPolarHBondContact O-CD1 3.37Å; S7-I11 WeakPolarHBondContact O-CG1 3.43Å; S7-I11 PolarHBondContact O-N 3.44Å; R8-I11 PolarHBondContact O-N 3.43Å; I11-L13 PolarHBondContact O-N 2.99Å; I11-W14 CarbonylContact O-C 3.56Å; I11-W14 PolarHBondContact O-N 3.41Å; I11-W14 VanDerWaalsContact O-N 3.1Å; I11-T15 HydrophobicContact CG2-CG2 4.03Å; I11-T15 WeakPolarHBondContact O-CB 3.43Å; I11-T15 VanDerWaalsContact O-CG2 3.27Å; I11-T15 WeakPolarHBondContact O-CG2 3.36Å; I11-T15 PolarHBondContact O-N 2.79Å; I11-T15 PolarHBondContact O-OG1 2.73Å; I11-T15 VanDerWaalsContact O-OG1 3.05Å
12A63.1Low62Low44 Ų4485.8 Ų85.836%0.36446%0.46SS..Hα-helixtrans-59.3-45.1176.700000111.8R8 H9 W14 T15 T16R8-A12 VanDerWaalsContact O-CB 3.27Å; R8-A12 WeakPolarHBondContact O-CB 3.36Å; R8-A12 PolarHBondContact O-N 3.15Å; H9-A12 PolarHBondContact O-N 2.9Å; A12-W14 VanDerWaalsContact C-N 3.29Å; A12-W14 PolarHBondContact O-N 3.26Å; A12-T15 PolarHBondContact O-N 3.5Å; A12-T15 PolarHBondContact O-OG1 2.81Å; A12-T15 VanDerWaalsContact O-OG1 3.14Å; A12-T16 WeakPolarHBondContact O-CB 3.36Å; A12-T16 WeakPolarHBondContact O-CG2 3.41Å; A12-T16 PolarHBondContact O-N 2.97Å; A12-T16 PolarHBondContact O-OG1 3.17Å; A12-T16 VanDerWaalsContact O-OG1 3.13Å
13L67Low62.7Low105 Ų10586.6 Ų86.655%0.5546%0.46SS..Hα-helixtrans-62.7-35.1174-82.4157.3000112.6H9 L10 I11 T16H9-L13 WeakPolarHBondContact O-CB 3.37Å; H9-L13 WeakPolarHBondContact O-CD1 3.47Å; H9-L13 WeakPolarHBondContact O-CG 3.14Å; H9-L13 PolarHBondContact O-N 3.44Å; L10-L13 PolarHBondContact O-N 3.36Å; I11-L13 PolarHBondContact O-N 2.99Å; L13-T16 WeakPolarHBondContact CA-OG1 3.33Å; L13-T16 PolarHBondContact O-OG1 3.22Å
14W62.1Low63.4Low154 Ų15482 Ų8258%0.58343%0.431SS*.Hα-helixtrans-79.2-30-179.8-171.381.1000112.7L10 I11 A12 N18 A21L10-W14 WeakPolarHBondContact O-CB 3.3Å; L10-W14 PolarHBondContact O-N 2.98Å; I11-W14 CarbonylContact O-C 3.56Å; I11-W14 PolarHBondContact O-N 3.41Å; I11-W14 VanDerWaalsContact O-N 3.1Å; A12-W14 VanDerWaalsContact C-N 3.29Å; A12-W14 PolarHBondContact O-N 3.26Å; W14-N18 VanDerWaalsContact CZ2-ND2 3.25Å; W14-N18 WeakPolarHBondContact CZ2-ND2 3.41Å; W14-N18 WeakPolarHBondContact O-CB 3.23Å; W14-N18 PolarHBondContact O-ND2 3.07Å; W14-A21 HydrophobicContact CZ3-CB 4.21Å
15T64.8Low64.5Low58 Ų5883.9 Ų83.936%0.35644%0.438SS..Hα-helixtrans-83.1-27.8176.658.30000112I11 A12 G17 N18 A21I11-T15 HydrophobicContact CG2-CG2 4.03Å; I11-T15 WeakPolarHBondContact O-CB 3.43Å; I11-T15 VanDerWaalsContact O-CG2 3.27Å; I11-T15 WeakPolarHBondContact O-CG2 3.36Å; I11-T15 PolarHBondContact O-N 2.79Å; I11-T15 PolarHBondContact O-OG1 2.73Å; I11-T15 VanDerWaalsContact O-OG1 3.05Å; A12-T15 PolarHBondContact O-N 3.5Å; A12-T15 PolarHBondContact O-OG1 2.81Å; A12-T15 VanDerWaalsContact O-OG1 3.14Å; T15-G17 PolarHBondContact O-N 3.08Å; T15-G17 VanDerWaalsContact O-N 3.08Å; T15-N18 PolarHBondContact O-N 2.85Å; T15-A21 HydrophobicContact CG2-CB 3.85Å
16T68.4Low65.3Low101 Ų10184.9 Ų84.962%0.6244%0.442SS*.THydrogen-bonded Turntrans-63.5110.4176.1490000111.3A12 L13 N18A12-T16 WeakPolarHBondContact O-CB 3.36Å; A12-T16 WeakPolarHBondContact O-CG2 3.41Å; A12-T16 PolarHBondContact O-N 2.97Å; A12-T16 PolarHBondContact O-OG1 3.17Å; A12-T16 VanDerWaalsContact O-OG1 3.13Å; L13-T16 WeakPolarHBondContact CA-OG1 3.33Å; L13-T16 PolarHBondContact O-OG1 3.22Å; T16-N18 VanDerWaalsContact C-N 3.3Å; T16-N18 PolarHBondContact O-N 3.45Å
17G67.4Low65.9Low72 Ų7282.5 Ų82.574%0.74243%0.428SS*.THydrogen-bonded Turntrans82.3-1.2178.100000115.2T15T15-G17 PolarHBondContact O-N 3.08Å; T15-G17 VanDerWaalsContact O-N 3.08Å
18N74.9Confident66.4Low34 Ų3481.7 Ų81.718%0.18242%0.419CS..  trans-86.6117.1179.1-175.7-18.2000110.9W14 T15 T16 M20 A21 R22W14-N18 VanDerWaalsContact CZ2-ND2 3.25Å; W14-N18 WeakPolarHBondContact CZ2-ND2 3.41Å; W14-N18 WeakPolarHBondContact O-CB 3.23Å; W14-N18 PolarHBondContact O-ND2 3.07Å; T15-N18 PolarHBondContact O-N 2.85Å; T16-N18 VanDerWaalsContact C-N 3.3Å; T16-N18 PolarHBondContact O-N 3.45Å; N18-M20 VanDerWaalsContact C-N 3.34Å; N18-M20 PolarHBondContact O-N 3.27Å; N18-M20 PolarHBondContact OD1-N 3.1Å; N18-A21 HydrophobicContact CB-CB 4.1Å; N18-A21 PolarHBondContact O-N 3.08Å; N18-R22 PolarHBondContact O-N 3.18Å
19L72.3Confident67Low124 Ų12477.4 Ų77.465%0.64940%0.404SS*.Hα-helixtrans-60.4-42.4-179.5-68.9171.6000111.9A21 R22 E23L19-A21 VanDerWaalsContact C-N 3.3Å; L19-A21 PolarHBondContact O-N 3.44Å; L19-R22 PolarHBondContact O-N 3.26Å; L19-E23 WeakPolarHBondContact O-CG 3.47Å; L19-E23 PolarHBondContact O-N 3.05Å
20M69.1Low67.1Low66 Ų6672.3 Ų72.333%0.32538%0.381SS..Hα-helixtrans-65.1-35.6-178.1-57.2-155.2-54.900112N18 R22 L24 Y141 W142N18-M20 VanDerWaalsContact C-N 3.34Å; N18-M20 PolarHBondContact O-N 3.27Å; N18-M20 PolarHBondContact OD1-N 3.1Å; M20-R22 VanDerWaalsContact C-N 3.34Å; M20-L24 VanDerWaalsContact O-CB 3.29Å; M20-L24 WeakPolarHBondContact O-CB 3.47Å; M20-L24 PolarHBondContact O-N 3.01Å; M20-Y141 HydrophobicContact CB-CE2 4.47Å; M20-Y141 WeakPolarHBondContact CE-OH 3.32Å; M20-Y141 HydrophobicContact SD-CE2 4.22Å; M20-Y141 PolarHBondContact SD-OH 2.79Å; M20-W142 HydrophobicContact SD-CH2 4.29Å; M20-W142 HydrophobicContact SD-CZ2 3.72Å
21A69.4Low66.9Low15 Ų1571.3 Ų71.312%0.12437%0.374CS..Hα-helixtrans-67-36174.800000112.1W14 T15 N18 L19 L25W14-A21 HydrophobicContact CZ3-CB 4.21Å; T15-A21 HydrophobicContact CG2-CB 3.85Å; N18-A21 HydrophobicContact CB-CB 4.1Å; N18-A21 PolarHBondContact O-N 3.08Å; L19-A21 VanDerWaalsContact C-N 3.3Å; L19-A21 PolarHBondContact O-N 3.44Å; A21-L25 VanDerWaalsContact O-CB 3.32Å; A21-L25 WeakPolarHBondContact O-CB 3.34Å; A21-L25 PolarHBondContact O-N 2.89Å
22R67.5Low66.7Low160 Ų16066.7 Ų66.760%0.60435%0.351SS*.Hα-helixtrans-71.7-41.6176.5-65.7-179.491.1169.96.2111.6N18 L19 M20 L24 L25 Q26N18-R22 PolarHBondContact O-N 3.18Å; L19-R22 PolarHBondContact O-N 3.26Å; M20-R22 VanDerWaalsContact C-N 3.34Å; R22-L24 VanDerWaalsContact C-N 3.35Å; R22-L25 PolarHBondContact O-N 3.34Å; R22-Q26 WeakPolarHBondContact O-CB 3.28Å; R22-Q26 WeakPolarHBondContact O-CG 3.13Å; R22-Q26 PolarHBondContact O-N 3.45Å
23E68.5Low66.6Low73 Ų7364.6 Ų64.634%0.34133%0.334SS..Hα-helixtrans-63.8-39.5174.7-72.8173.217600111.8L19 Q26 R27L19-E23 WeakPolarHBondContact O-CG 3.47Å; L19-E23 PolarHBondContact O-N 3.05Å; E23-Q26 PolarHBondContact O-N 2.81Å; E23-R27 WeakPolarHBondContact O-CG 3.32Å; E23-R27 PolarHBondContact O-N 3.34Å; E23-R27 PolarHBondContact O-NE 3.21Å; E23-R27 VanDerWaalsContact O-NE 3.13Å
24L67.6Low66.4Low32 Ų3260.8 Ų60.817%0.16831%0.314CS..Hα-helixtrans-66.3-45.2173.1-177.463.4000111M20 R22 Q26 R27 I28 W139 F144M20-L24 VanDerWaalsContact O-CB 3.29Å; M20-L24 WeakPolarHBondContact O-CB 3.47Å; M20-L24 PolarHBondContact O-N 3.01Å; R22-L24 VanDerWaalsContact C-N 3.35Å; L24-Q26 PolarHBondContact O-N 3.45Å; L24-R27 PolarHBondContact O-N 2.66Å; L24-I28 HydrophobicContact CD1-CD1 3.95Å; L24-I28 HydrophobicContact CD1-CG1 4.17Å; L24-I28 HydrophobicContact CD2-CD1 4.19Å; L24-I28 HydrophobicContact CG-CD1 3.67Å; L24-I28 HydrophobicContact CG-CG1 4.24Å; L24-I28 VanDerWaalsContact O-CG1 3.26Å; L24-I28 WeakPolarHBondContact O-CG1 3.27Å; L24-I28 PolarHBondContact O-N 2.92Å; L24-W139 HydrophobicContact CD1-CH2 4.01Å; L24-W139 HydrophobicContact CD2-CH2 4.06Å; L24-W139 HydrophobicContact CD2-CZ3 3.95Å; L24-F144 HydrophobicContact CD1-CD1 4.38Å
25L68.1Low66.3Low80 Ų8057.3 Ų57.342%0.41931%0.306SS..Hα-helixtrans-59.7-37.4177-171.471.4000111.7A21 R22 R27 I28 M29 L34A21-L25 VanDerWaalsContact O-CB 3.32Å; A21-L25 WeakPolarHBondContact O-CB 3.34Å; A21-L25 PolarHBondContact O-N 2.89Å; R22-L25 PolarHBondContact O-N 3.34Å; L25-R27 VanDerWaalsContact C-N 3.28Å; L25-R27 PolarHBondContact O-N 3.13Å; L25-I28 PolarHBondContact O-N 3.5Å; L25-M29 HydrophobicContact CD1-CG 3.88Å; L25-M29 HydrophobicContact CG-CG 4.44Å; L25-M29 WeakPolarHBondContact O-CB 3.45Å; L25-M29 PolarHBondContact O-N 2.91Å; L25-L34 HydrophobicContact CD2-CD2 3.94Å; L25-L34 HydrophobicContact CG-CD2 3.86Å
26Q66.7Low66Low120 Ų12056.3 Ų56.356%0.56130%0.296SS*.Hα-helixtrans-62.1-33.1174.2-80.4173.7-19.400113.3R22 E23 L24 L34 V162R22-Q26 WeakPolarHBondContact O-CB 3.28Å; R22-Q26 WeakPolarHBondContact O-CG 3.13Å; R22-Q26 PolarHBondContact O-N 3.45Å; E23-Q26 PolarHBondContact O-N 2.81Å; L24-Q26 PolarHBondContact O-N 3.45Å; Q26-L34 HydrophobicContact CB-CD1 4.28Å; Q26-L34 HydrophobicContact CG-CD1 3.91Å; Q26-V162 WeakPolarHBondContact O-CG2 3.15Å
27R68.7Low65.7Low28 Ų2855.7 Ų55.711%0.10629%0.288CS..Hα-helixtrans-87.1-19.8178.5-70.7177.8-67.8137.32.3114.1E23 L24 L25 Y141 W142 F144 E145 V162E23-R27 WeakPolarHBondContact O-CG 3.32Å; E23-R27 PolarHBondContact O-N 3.34Å; E23-R27 PolarHBondContact O-NE 3.21Å; E23-R27 VanDerWaalsContact O-NE 3.13Å; L24-R27 PolarHBondContact O-N 2.66Å; L25-R27 VanDerWaalsContact C-N 3.28Å; L25-R27 PolarHBondContact O-N 3.13Å; R27-Y141 PolarHBondContact NH1-O 2.88Å; R27-Y141 PolarHBondContact NH2-O 2.91Å; R27-W142 PolarHBondContact NH1-O 2.79Å; R27-F144 PolarHBondContact NH1-O 3.36Å; R27-E145 HydrophobicContact CB-CG 4.29Å; R27-E145 HydrophobicContact CG-CG 4.25Å; R27-V162 VanDerWaalsContact C-CG2 3.49Å; R27-V162 WeakPolarHBondContact O-CG1 3.36Å; R27-V162 VanDerWaalsContact O-CG2 3.23Å; R27-V162 WeakPolarHBondContact O-CG2 3.48Å
28I66.9Low65.4Low31 Ų3158.3 Ų58.316%0.15929%0.286CS..Hα-helixtrans-87.4-46.4177.9-68.4178.8000111.6L24 L25 L114 F144 Y164L24-I28 HydrophobicContact CD1-CD1 3.95Å; L24-I28 HydrophobicContact CD1-CG1 4.17Å; L24-I28 HydrophobicContact CD2-CD1 4.19Å; L24-I28 HydrophobicContact CG-CD1 3.67Å; L24-I28 HydrophobicContact CG-CG1 4.24Å; L24-I28 VanDerWaalsContact O-CG1 3.26Å; L24-I28 WeakPolarHBondContact O-CG1 3.27Å; L24-I28 PolarHBondContact O-N 2.92Å; L25-I28 PolarHBondContact O-N 3.5Å; I28-L114 HydrophobicContact CG2-CD1 3.68Å; I28-L114 HydrophobicContact CG2-CD2 4.42Å; I28-F144 HydrophobicContact CD1-CE1 4.44Å; I28-F144 HydrophobicContact CG1-CD1 4.22Å; I28-F144 HydrophobicContact CG1-CE1 3.95Å; I28-Y164 PolarHBondContact O-OH 3.28Å
29M65Low64.6Low14 Ų1458.9 Ų58.97%0.06929%0.292CS..SBendtrans-99.6141.3-171-67.4-69.5-75.500110.5L25 L33 L34 L93 L114L25-M29 HydrophobicContact CD1-CG 3.88Å; L25-M29 HydrophobicContact CG-CG 4.44Å; L25-M29 WeakPolarHBondContact O-CB 3.45Å; L25-M29 PolarHBondContact O-N 2.91Å; M29-L33 HydrophobicContact CE-CB 4.02Å; M29-L33 HydrophobicContact CE-CD1 3.65Å; M29-L33 HydrophobicContact CE-CG 4.35Å; M29-L34 HydrophobicContact CB-CD2 3.88Å; M29-L34 HydrophobicContact CB-CG 4.1Å; M29-L93 HydrophobicContact CE-CD2 3.89Å; M29-L114 HydrophobicContact SD-CD2 4.46Å
30P62.4Low64Low6 Ų659.7 Ų59.74%0.03930%0.302CS..  trans-65.1142.7174.928.7-31.1000109.4G32 L33 L34 Y164 L167P30-G32 PolarHBondContact O-N 3Å; P30-G32 VanDerWaalsContact O-N 3.12Å; P30-L33 HydrophobicContact CG-CB 4.23Å; P30-L33 HydrophobicContact CG-CD1 3.63Å; P30-L33 HydrophobicContact CG-CG 4.11Å; P30-L33 WeakPolarHBondContact O-CB 3.06Å; P30-L33 PolarHBondContact O-N 3.41Å; P30-L34 PolarHBondContact O-N 3.16Å; P30-Y164 HydrophobicContact CB-CD2 4.06Å; P30-Y164 HydrophobicContact CB-CE2 3.73Å; P30-Y164 WeakPolarHBondContact CD-OH 3.35Å; P30-Y164 HydrophobicContact CG-CD2 4.49Å; P30-Y164 HydrophobicContact CG-CE2 3.87Å; P30-L167 HydrophobicContact CB-CD1 4.36Å
31E61.5Low63.3Low80 Ų8060.1 Ų60.137%0.37431%0.306SS..Hα-helixtrans-61.3-31.8-167.8-143.1161.4163.900113.2L33 L34 L35 N175E31-L33 VanDerWaalsContact C-N 3.27Å; E31-L33 PolarHBondContact O-N 2.9Å; E31-L34 HydrophobicContact CG-CD1 4.48Å; E31-L34 WeakPolarHBondContact O-CB 3.5Å; E31-L34 PolarHBondContact O-N 3.13Å; E31-L34 VanDerWaalsContact O-N 3.12Å; E31-L35 PolarHBondContact O-N 2.83Å; E31-N175 HydrophobicContact CB-CB 4.34Å; E31-N175 HydrophobicContact CG-CB 4.31Å; E31-N175 VanDerWaalsContact CG-CG 3.5Å; E31-N175 WeakPolarHBondContact CG-OD1 3.23Å; E31-N175 VanDerWaalsContact OE1-CG 3.28Å; E31-N175 PolarHBondContact OE1-ND2 3.07Å; E31-N175 PolarHBondContact OE1-OD1 2.92Å; E31-N175 VanDerWaalsContact OE1-OD1 3.11Å; E31-N175 PolarHBondContact OE2-OD1 2.78Å
32G58.7Low62.4Low4 Ų471 Ų714%0.04134%0.344CS..Hα-helixtrans-63.5-27.1174.200000114.4P30 Y36 W97P30-G32 PolarHBondContact O-N 3Å; P30-G32 VanDerWaalsContact O-N 3.12Å; G32-Y36 PolarHBondContact O-N 3.39Å; G32-W97 VanDerWaalsContact C-NE1 3.29Å; G32-W97 PolarHBondContact O-NE1 3.43Å
33L61.6Low61.7Low0 Ų065.5 Ų65.50%033%0.332CS..Hα-helixtrans-77.6-36.8172-84170.3000111.2M29 P30 E31 Y36 L37 L93 F94 W97M29-L33 HydrophobicContact CE-CB 4.02Å; M29-L33 HydrophobicContact CE-CD1 3.65Å; M29-L33 HydrophobicContact CE-CG 4.35Å; P30-L33 HydrophobicContact CG-CB 4.23Å; P30-L33 HydrophobicContact CG-CD1 3.63Å; P30-L33 HydrophobicContact CG-CG 4.11Å; P30-L33 WeakPolarHBondContact O-CB 3.06Å; P30-L33 PolarHBondContact O-N 3.41Å; E31-L33 VanDerWaalsContact C-N 3.27Å; E31-L33 PolarHBondContact O-N 2.9Å; L33-Y36 PolarHBondContact O-N 2.82Å; L33-L37 PolarHBondContact O-N 3.39Å; L33-L93 HydrophobicContact CD2-CD2 4.21Å; L33-L93 HydrophobicContact CD2-CG 4.3Å; L33-F94 HydrophobicContact CD1-CD1 3.83Å; L33-F94 HydrophobicContact CD1-CE1 3.4Å; L33-F94 VanDerWaalsContact CD1-CE1 3.4Å; L33-F94 HydrophobicContact CD1-CZ 4.33Å; L33-W97 HydrophobicContact CD1-CE3 4.42Å; L33-W97 HydrophobicContact CD2-CB 3.44Å; L33-W97 VanDerWaalsContact CD2-CB 3.44Å; L33-W97 HydrophobicContact CD2-CD2 3.57Å; L33-W97 HydrophobicContact CD2-CE3 4.05Å; L33-W97 HydrophobicContact CD2-CG 3.27Å; L33-W97 HydrophobicContact CG-CD2 3.74Å; L33-W97 HydrophobicContact CG-CE3 4.02Å; L33-W97 HydrophobicContact CG-CG 3.98Å; L33-W97 HydrophobicContact CG-CZ2 4.45Å; L33-W97 HydrophobicContact CG-CZ3 4.45Å
34L62.9Low60.6Low24 Ų2465.3 Ų65.313%0.12634%0.337CS..Hα-helixtrans-63.4-42.6175.8-62.5172.3000111.7L25 Q26 M29 P30 E31 Y36 L37 N38L25-L34 HydrophobicContact CD2-CD2 3.94Å; L25-L34 HydrophobicContact CG-CD2 3.86Å; Q26-L34 HydrophobicContact CB-CD1 4.28Å; Q26-L34 HydrophobicContact CG-CD1 3.91Å; M29-L34 HydrophobicContact CB-CD2 3.88Å; M29-L34 HydrophobicContact CB-CG 4.1Å; P30-L34 PolarHBondContact O-N 3.16Å; E31-L34 HydrophobicContact CG-CD1 4.48Å; E31-L34 WeakPolarHBondContact O-CB 3.5Å; E31-L34 PolarHBondContact O-N 3.13Å; E31-L34 VanDerWaalsContact O-N 3.12Å; L34-Y36 VanDerWaalsContact C-N 3.28Å; L34-Y36 PolarHBondContact O-N 3.44Å; L34-L37 HydrophobicContact CD2-CD1 4.4Å; L34-L37 PolarHBondContact O-N 3.35Å; L34-N38 PolarHBondContact O-ND2 3.05Å
35L60.4Low59.4Low81 Ų8170 Ų7042%0.42437%0.37SS..Hα-helixtrans-61-39.5173.5-76172.4000111.7E31 N38 S39 N175E31-L35 PolarHBondContact O-N 2.83Å; L35-N38 PolarHBondContact O-N 2.96Å; L35-S39 PolarHBondContact O-N 3.41Å; L35-N175 HydrophobicContact CD1-CB 3.51Å
36Y58Low58.2Low37 Ų3771.3 Ų71.315%0.14538%0.377CS..Hα-helixtrans-69.5-34.4178.5-179-94.3000112.9G32 L33 L34 N38 S39 H96 W97G32-Y36 PolarHBondContact O-N 3.39Å; L33-Y36 PolarHBondContact O-N 2.82Å; L34-Y36 VanDerWaalsContact C-N 3.28Å; L34-Y36 PolarHBondContact O-N 3.44Å; Y36-N38 PolarHBondContact O-N 3.14Å; Y36-N38 VanDerWaalsContact O-N 3.14Å; Y36-S39 WeakPolarHBondContact O-CA 3.47Å; Y36-S39 WeakPolarHBondContact O-CB 3.26Å; Y36-S39 PolarHBondContact O-N 2.78Å; Y36-H96 AromaticContact CE1-CD2 3.6Å; Y36-H96 AromaticContact CE2-CD2 3.35Å; Y36-H96 WeakPolarHBondContact CE2-CD2 3.29Å; Y36-H96 AromaticContact CE2-NE2 3.35Å; Y36-H96 WeakPolarHBondContact CE2-NE2 3.36Å; Y36-H96 AromaticContact CZ-CD2 2.96Å; Y36-H96 AromaticContact CZ-CG 3.87Å; Y36-H96 AromaticContact CZ-NE2 3.25Å; Y36-H96 PolarHBondContact OH-CD2 3.39Å; Y36-H96 PolarHBondContact OH-CE1 2.77Å; Y36-H96 PolarHBondContact OH-NE2 3.29Å; Y36-W97 AromaticContact CG-CD1 4Å
37L62.4Low56.6Low88 Ų8873.2 Ų73.246%0.46139%0.391SS..Hα-helixtrans-59-24.9173.2-75.3170.9000112.7L33 L34 L93L33-L37 PolarHBondContact O-N 3.39Å; L34-L37 HydrophobicContact CD2-CD1 4.4Å; L34-L37 PolarHBondContact O-N 3.35Å; L37-L93 HydrophobicContact CD2-CD1 3.51Å; L37-L93 HydrophobicContact CG-CD1 4.33Å
38N62Low55Low128 Ų12878 Ų7868%0.68442%0.418SS*.THydrogen-bonded Turntrans-90.8-3.2174.2-60.4-40.5000113.2L34 L35 Y36L34-N38 PolarHBondContact O-ND2 3.05Å; L35-N38 PolarHBondContact O-N 2.96Å; Y36-N38 PolarHBondContact O-N 3.14Å; Y36-N38 VanDerWaalsContact O-N 3.14Å
39S57.8Low53.3Low46 Ų4683.7 Ų83.732%0.32245%0.449SS..  trans-76.5141.8179-176.90000111.5L35 Y36 D41L35-S39 PolarHBondContact O-N 3.41Å; Y36-S39 WeakPolarHBondContact O-CA 3.47Å; Y36-S39 WeakPolarHBondContact O-CB 3.26Å; Y36-S39 PolarHBondContact O-N 2.78Å; S39-D41 VanDerWaalsContact C-N 3.31Å; S39-D41 PolarHBondContact OG-N 2.81Å
40T59.6Low51.6Low140 Ų14090.9 Ų90.986%0.85949%0.487SS*.  trans-88.85.9175.653.40000113.5
41D53.7Low49.8Very low76 Ų7695.2 Ų95.241%0.40652%0.518SS..PPolyproline II helixtrans-67.5137.9-175.1-79-6.2000112.9S39 R100S39-D41 VanDerWaalsContact C-N 3.31Å; S39-D41 PolarHBondContact OG-N 2.81Å; D41-R100 IonicContact OD2-NH1 3.35Å; D41-R100 PolarHBondContact OD2-NH1 2.94Å
42R51.3Low48.2Very low244 Ų24499 Ų9992%0.92154%0.54SS*.PPolyproline II helixtrans-75.2137.9177.3-108.7-177.6-179.8-177.90.7111.8
43A51.7Low46.8Very low43 Ų43104.9 Ų104.936%0.35558%0.575SS.*PPolyproline II helixtrans-73.6142.5174.600000113.4F92 H96A43-F92 HydrophobicContact CB-CE1 3.8Å; A43-F92 HydrophobicContact CB-CE2 4.22Å; A43-F92 HydrophobicContact CB-CZ 3.29Å; A43-H96 WeakPolarHBondContact CA-ND1 3.39Å
44P46.5Very low45Very low69 Ų69116.3 Ų116.345%0.44862%0.618SS.*PPolyproline II helixtrans-73.5153.2178.829.5-31.2000111.8H96P44-H96 VanDerWaalsContact CD-CE1 3.41Å; P44-H96 WeakPolarHBondContact CD-CE1 3.38Å; P44-H96 WeakPolarHBondContact CD-ND1 3.35Å
45P42.6Very low43.3Very low132 Ų132120.1 Ų120.186%0.85765%0.646SS**PPolyproline II helixtrans-72.8141.9-178.728.7-32.4000112.3
46L41.2Very low41.8Very low107 Ų107124.5 Ų124.556%0.5667%0.669SS**PPolyproline II helixtrans-74.5136.3-173.3-158.583.9000112.1
47D34.7Very low40.4Very low159 Ų159127 Ų12785%0.8569%0.692SS**PPolyproline II helixtrans-80.5120.9159.6-108.1-21.1000108.2D49D47-D49 PolarHBondContact O-N 3.44Å
48N34.3Very low38.9Very low128 Ų128130.2 Ų130.268%0.68471%0.71SS**  trans-68.1114-163.8-65.9-50.8000113.2L50N48-L50 PolarHBondContact O-N 2.89Å
49D31.6Very low37.5Very low152 Ų152131.1 Ų131.181%0.81372%0.72SS**  trans-67.491.2166.4-86.3-33.5000111.1D47 S51D47-D49 PolarHBondContact O-N 3.44Å; D49-S51 PolarHBondContact O-N 2.76Å
50L29.3Very low36.2Very low164 Ų164136.3 Ų136.386%0.85974%0.744SS**  trans-79.592.1167.1-72.4163.9000109.9N48N48-L50 PolarHBondContact O-N 2.89Å
51S25.2Very low34.8Very low98 Ų98135.3 Ų135.369%0.68573%0.733SS**  trans-177.766.4159.1450000115.4D49D49-S51 PolarHBondContact O-N 2.76Å
52L27.7Very low33.8Very low160 Ų160139.4 Ų139.484%0.83875%0.748SS**  trans-146.270.9153.3-75.7179.5000110.2
53T27.6Very low32.9Very low127 Ų127134.2 Ų134.278%0.77974%0.738SS**  trans-128.3133.1167.143.70000109
54R25.7Very low32.1Very low240 Ų240142.4 Ų142.491%0.90676%0.761SS**  trans104.9133.5172.8-68.7177.5175.5176.1-1.3114.2
55C25.7Very low31.8Very low104 Ų104145.6 Ų145.670%0.70378%0.775SS**  cis-150.3131.811.1-940000109.8
56N30.4Very low31.8Very low172 Ų172146.5 Ų146.592%0.9277%0.765SS**  trans-98.7119.7158.1-73.3-26.1000107.1
57S27.9Very low31.6Very low90 Ų90146.5 Ų146.563%0.62977%0.765SS**  trans-166.2116.6161.848.90000111.4
58D30.6Very low31.8Very low155 Ų155142.4 Ų142.483%0.82975%0.749SS**  trans65.6101.6143.2-53.4-29.8000121.2
59V33.6Very low32.3Very low147 Ų147140 Ų14089%0.89174%0.736SS**  -149.2107.5123.3-179.30000109.4
60N30.3Very low32.7Very low155 Ų155138.3 Ų138.383%0.82972%0.723SS**  trans-69.1130.9155.1-93-22.2000108.4
61D29.7Very low33.1Very low119 Ų119137.7 Ų137.764%0.63671%0.714SS**  161134.4100.5-138.32.2000111.4
62K31.9Very low33.8Very low163 Ų163138.6 Ų138.671%0.70971%0.707SS**  trans78.9121.5154.4-65.7167.6-172.2164.60121.6
63N33.1Very low34.5Very low134 Ų134135.6 Ų135.672%0.71769%0.692SS**  trans98.686.1146.4-58.3-13.8000118.3D65N63-D65 VanDerWaalsContact C-N 3.27Å; N63-D65 PolarHBondContact O-N 3.29Å
64Y35.3Very low35.3Very low215 Ų215134.2 Ų134.284%0.84368%0.679SS**SBendtrans412.7133.2-78.2-78.8000124.3
65D40.2Very low36.1Very low137 Ų137126.3 Ų126.373%0.73366%0.657SS**SBendtrans-100.1-13.4166.8-83.1-28.9000113.4N63 L67N63-D65 VanDerWaalsContact C-N 3.27Å; N63-D65 PolarHBondContact O-N 3.29Å; D65-L67 PolarHBondContact O-N 3.45Å
66K40.8Very low37Very low150 Ų150124.8 Ų124.865%0.65264%0.644SS**Hα-helixtrans-80-3.5-175.8-76.2-175.2177.2177.50116.1Q70K66-Q70 WeakPolarHBondContact O-CB 3.38Å; K66-Q70 WeakPolarHBondContact O-CG 3.19Å; K66-Q70 PolarHBondContact O-N 3.31Å
67L37.2Very low37.8Very low108 Ų108121.5 Ų121.557%0.56563%0.627SS**Hα-helixtrans-76.1-25.5178.3-100.3151.3000112.9D65D65-L67 PolarHBondContact O-N 3.45Å
68S40.4Very low38.7Very low72 Ų72124.5 Ų124.550%0.50363%0.625SS.*Hα-helixtrans-75-51.3169.4-168.90000109.9Q70 K71 E72S68-Q70 VanDerWaalsContact C-N 3.32Å; S68-Q70 PolarHBondContact O-N 2.78Å; S68-K71 PolarHBondContact O-N 3.11Å; S68-K71 VanDerWaalsContact O-N 3.08Å; S68-E72 PolarHBondContact O-N 2.94Å
69D43.7Very low39.2Very low79 Ų79120.5 Ų120.542%0.42260%0.603SS.*Hα-helixtrans-63.7-33-179.9-67-5.1000113E72 N73D69-E72 PolarHBondContact O-N 3.44Å; D69-N73 WeakPolarHBondContact O-CB 3.36Å; D69-N73 PolarHBondContact O-N 3.04Å; D69-N73 PolarHBondContact O-ND2 2.94Å; D69-N73 VanDerWaalsContact O-ND2 3.14Å
70Q40.6Very low39.9Very low115 Ų115117.1 Ų117.154%0.53758%0.579SS.*Hα-helixtrans-68.8-34.9175.4-81.4179.5-2.700112.1K66 S68 L74K66-Q70 WeakPolarHBondContact O-CB 3.38Å; K66-Q70 WeakPolarHBondContact O-CG 3.19Å; K66-Q70 PolarHBondContact O-N 3.31Å; S68-Q70 VanDerWaalsContact C-N 3.32Å; S68-Q70 PolarHBondContact O-N 2.78Å; Q70-L74 WeakPolarHBondContact O-CB 3.47Å; Q70-L74 PolarHBondContact O-N 3.28Å
71K37.7Very low40.8Very low152 Ų152116.6 Ų116.666%0.66157%0.571SS**Hα-helixtrans-72.6-40.8174.4-77.5-178.3179.4175.70111.1S68 L74 V75S68-K71 PolarHBondContact O-N 3.11Å; S68-K71 VanDerWaalsContact O-N 3.08Å; K71-L74 PolarHBondContact O-N 3.36Å; K71-V75 VanDerWaalsContact O-CG2 3.24Å; K71-V75 WeakPolarHBondContact O-CG2 3.41Å; K71-V75 PolarHBondContact O-N 2.92Å
72E40.2Very low41.4Very low117 Ų117112.8 Ų112.855%0.54755%0.552SS.*Hα-helixtrans-63.7-46.4174.3-72.2-173.7169.700111.2S68 D69 L74 V75 V76S68-E72 PolarHBondContact O-N 2.94Å; D69-E72 PolarHBondContact O-N 3.44Å; E72-L74 PolarHBondContact O-N 3.02Å; E72-V75 PolarHBondContact O-N 3.48Å; E72-V75 VanDerWaalsContact O-N 3.15Å; E72-V76 WeakPolarHBondContact O-CB 3.14Å; E72-V76 VanDerWaalsContact O-CG2 3.26Å; E72-V76 WeakPolarHBondContact O-CG2 2.9Å; E72-V76 PolarHBondContact O-N 2.95Å
73N41.5Very low42Very low97 Ų97112.6 Ų112.652%0.51955%0.547SS..Hα-helixtrans-62.2-39.3175.7-73.1-25.6000112.1D69 V75 V76 D77D69-N73 WeakPolarHBondContact O-CB 3.36Å; D69-N73 PolarHBondContact O-N 3.04Å; D69-N73 PolarHBondContact O-ND2 2.94Å; D69-N73 VanDerWaalsContact O-ND2 3.14Å; N73-V75 VanDerWaalsContact C-N 3.32Å; N73-V75 PolarHBondContact O-N 2.87Å; N73-V76 PolarHBondContact O-N 3.33Å; N73-D77 WeakPolarHBondContact O-CB 3.44Å; N73-D77 PolarHBondContact O-N 2.99Å
74L44.1Very low42.9Very low98 Ų98110.9 Ų110.951%0.51353%0.533SS..Hα-helixtrans-66.4-34.9175.9-131.6107.6000112.4Q70 K71 E72 R78Q70-L74 WeakPolarHBondContact O-CB 3.47Å; Q70-L74 PolarHBondContact O-N 3.28Å; K71-L74 PolarHBondContact O-N 3.36Å; E72-L74 PolarHBondContact O-N 3.02Å; L74-R78 WeakPolarHBondContact O-CB 3.4Å; L74-R78 VanDerWaalsContact O-CG 3.26Å; L74-R78 WeakPolarHBondContact O-CG 3.26Å; L74-R78 PolarHBondContact O-N 2.8Å
75V43.4Very low43.5Very low74 Ų74102.9 Ų102.945%0.44851%0.512SS..Hα-helixtrans-71.3-45.1176.1171.90000109.7K71 E72 N73 R78 L79K71-V75 VanDerWaalsContact O-CG2 3.24Å; K71-V75 WeakPolarHBondContact O-CG2 3.41Å; K71-V75 PolarHBondContact O-N 2.92Å; E72-V75 PolarHBondContact O-N 3.48Å; E72-V75 VanDerWaalsContact O-N 3.15Å; N73-V75 VanDerWaalsContact C-N 3.32Å; N73-V75 PolarHBondContact O-N 2.87Å; V75-R78 PolarHBondContact O-N 3.44Å; V75-L79 HydrophobicContact CG1-CD1 3.94Å; V75-L79 HydrophobicContact CG1-CG 4.35Å; V75-L79 WeakPolarHBondContact O-CB 3.4Å; V75-L79 WeakPolarHBondContact O-CG 3.32Å; V75-L79 PolarHBondContact O-N 3.49Å
76V45.4Very low43.8Very low71 Ų7199.1 Ų99.143%0.4349%0.493SS..Hα-helixtrans-61.2-45.1175.5173.50000110.9E72 N73 R78 L79 I80E72-V76 WeakPolarHBondContact O-CB 3.14Å; E72-V76 VanDerWaalsContact O-CG2 3.26Å; E72-V76 WeakPolarHBondContact O-CG2 2.9Å; E72-V76 PolarHBondContact O-N 2.95Å; N73-V76 PolarHBondContact O-N 3.33Å; V76-R78 PolarHBondContact O-N 3.01Å; V76-L79 CarbonylContact O-C 3.55Å; V76-L79 WeakPolarHBondContact O-CB 3.32Å; V76-L79 PolarHBondContact O-N 2.89Å; V76-L79 VanDerWaalsContact O-N 3.12Å; V76-I80 HydrophobicContact CG1-CD1 3.86Å; V76-I80 HydrophobicContact CG1-CG1 4.42Å; V76-I80 VanDerWaalsContact O-CG1 3.3Å; V76-I80 WeakPolarHBondContact O-CG1 3.46Å; V76-I80 PolarHBondContact O-N 2.81Å
77D46.4Very low44.3Very low104 Ų10494.5 Ų94.556%0.55647%0.474SS*.Hα-helixtrans-62.2-42.2176.3-87.8-15.8000112N73 L79 I80 H81N73-D77 WeakPolarHBondContact O-CB 3.44Å; N73-D77 PolarHBondContact O-N 2.99Å; D77-L79 VanDerWaalsContact C-N 3.35Å; D77-I80 PolarHBondContact O-N 3.46Å; D77-H81 WeakPolarHBondContact O-CB 3.43Å; D77-H81 PolarHBondContact O-N 2.98Å
78R46.2Very low44.9Very low153 Ų15394.1 Ų94.158%0.57747%0.473SS*.Hα-helixtrans-64.1-39.9173.4-77.6178.5-179-166.71.7111.5L74 V75 V76 H81 V82L74-R78 WeakPolarHBondContact O-CB 3.4Å; L74-R78 VanDerWaalsContact O-CG 3.26Å; L74-R78 WeakPolarHBondContact O-CG 3.26Å; L74-R78 PolarHBondContact O-N 2.8Å; V75-R78 PolarHBondContact O-N 3.44Å; V76-R78 PolarHBondContact O-N 3.01Å; R78-H81 WeakPolarHBondContact O-CB 3.44Å; R78-H81 PolarHBondContact O-N 2.91Å; R78-V82 WeakPolarHBondContact O-CB 3.41Å; R78-V82 WeakPolarHBondContact O-CG2 3.44Å; R78-V82 PolarHBondContact O-N 2.97Å
79L41.6Very low45.4Very low70 Ų7097.1 Ų97.137%0.36648%0.479SS..Hα-helixtrans-63.7-42.7176-73.3169000111.4C4 V75 V76 D77 H81 V82 R83C4-L79 HydrophobicContact CB-CD2 4.05Å; C4-L79 WeakPolarHBondContact SG-CD2 3.43Å; V75-L79 HydrophobicContact CG1-CD1 3.94Å; V75-L79 HydrophobicContact CG1-CG 4.35Å; V75-L79 WeakPolarHBondContact O-CB 3.4Å; V75-L79 WeakPolarHBondContact O-CG 3.32Å; V75-L79 PolarHBondContact O-N 3.49Å; V76-L79 CarbonylContact O-C 3.55Å; V76-L79 WeakPolarHBondContact O-CB 3.32Å; V76-L79 PolarHBondContact O-N 2.89Å; V76-L79 VanDerWaalsContact O-N 3.12Å; D77-L79 VanDerWaalsContact C-N 3.35Å; L79-H81 VanDerWaalsContact C-N 3.35Å; L79-V82 PolarHBondContact O-N 3.17Å; L79-R83 VanDerWaalsContact O-CB 3.3Å; L79-R83 WeakPolarHBondContact O-CB 3.27Å; L79-R83 PolarHBondContact O-N 3.13Å
80I49.4Very low45.8Very low77 Ų7796.8 Ų96.840%0.39548%0.477SS..Hα-helixtrans-61.9-43.9174.3-67.7166000110V76 D77 V82 R83 K84V76-I80 HydrophobicContact CG1-CD1 3.86Å; V76-I80 HydrophobicContact CG1-CG1 4.42Å; V76-I80 VanDerWaalsContact O-CG1 3.3Å; V76-I80 WeakPolarHBondContact O-CG1 3.46Å; V76-I80 PolarHBondContact O-N 2.81Å; D77-I80 PolarHBondContact O-N 3.46Å; I80-V82 VanDerWaalsContact C-N 3.32Å; I80-V82 PolarHBondContact O-N 3.26Å; I80-R83 PolarHBondContact O-N 2.92Å; I80-K84 HydrophobicContact CG2-CD 4.26Å; I80-K84 WeakPolarHBondContact O-CB 3.48Å; I80-K84 WeakPolarHBondContact O-CG 3.44Å; I80-K84 PolarHBondContact O-N 2.98Å
81H47.4Very low46.4Very low144 Ų14492.6 Ų92.667%0.66746%0.458SS*.Hα-helixtrans-61.9-41.2176.1-123.673.5000112.3D77 R78 L79 K84 A85D77-H81 WeakPolarHBondContact O-CB 3.43Å; D77-H81 PolarHBondContact O-N 2.98Å; R78-H81 WeakPolarHBondContact O-CB 3.44Å; R78-H81 PolarHBondContact O-N 2.91Å; L79-H81 VanDerWaalsContact C-N 3.35Å; H81-K84 PolarHBondContact O-N 3.25Å; H81-A85 WeakPolarHBondContact O-CB 2.83Å; H81-A85 PolarHBondContact O-N 2.86Å
82V42.6Very low47.1Very low39 Ų3989.2 Ų89.224%0.23644%0.443CS..Hα-helixtrans-75.1-33-177163.60000111.9R8 R78 L79 I80 V86R8-V82 VanDerWaalsContact NH1-CG1 3.33Å; R8-V82 PolarHBondContact NH2-O 3.48Å; R78-V82 WeakPolarHBondContact O-CB 3.41Å; R78-V82 WeakPolarHBondContact O-CG2 3.44Å; R78-V82 PolarHBondContact O-N 2.97Å; L79-V82 PolarHBondContact O-N 3.17Å; I80-V82 VanDerWaalsContact C-N 3.32Å; I80-V82 PolarHBondContact O-N 3.26Å; V82-V86 PolarHBondContact O-N 3.28Å
83R45.2Very low47.7Very low159 Ų15985.1 Ų85.160%0.643%0.425SS*.Hα-helixtrans-66.1-51.8167.8177.6-179170.4-169.9-2110.2L79 I80 A85 V86 E87L79-R83 VanDerWaalsContact O-CB 3.3Å; L79-R83 WeakPolarHBondContact O-CB 3.27Å; L79-R83 PolarHBondContact O-N 3.13Å; I80-R83 PolarHBondContact O-N 2.92Å; R83-A85 VanDerWaalsContact C-N 3.25Å; R83-A85 PolarHBondContact O-N 3.02Å; R83-V86 PolarHBondContact O-N 2.85Å; R83-E87 HydrophobicContact CG-CG 4.36Å; R83-E87 IonicContact CZ-OE1 3.53Å; R83-E87 IonicContact NE-OE1 3.49Å; R83-E87 PolarHBondContact NE-OE1 3.31Å; R83-E87 IonicContact NE-OE2 2.9Å; R83-E87 IonicContact NH2-OE1 2.74Å; R83-E87 PolarHBondContact NH2-OE1 3.12Å; R83-E87 WeakPolarHBondContact O-CG 3.33Å; R83-E87 PolarHBondContact O-N 2.95Å
84K51Low48.3Very low98 Ų9881 Ų8143%0.42640%0.402SS..Hα-helixtrans-56.3-39.2175-78.3-178.5178-176.70111.9I80 H81 V86 E87 N88I80-K84 HydrophobicContact CG2-CD 4.26Å; I80-K84 WeakPolarHBondContact O-CB 3.48Å; I80-K84 WeakPolarHBondContact O-CG 3.44Å; I80-K84 PolarHBondContact O-N 2.98Å; H81-K84 PolarHBondContact O-N 3.25Å; K84-V86 PolarHBondContact O-N 3.01Å; K84-E87 PolarHBondContact O-N 3.43Å; K84-N88 WeakPolarHBondContact O-CB 3.33Å; K84-N88 PolarHBondContact O-N 3.37Å; K84-N88 PolarHBondContact O-ND2 3.43Å; K84-N88 PolarHBondContact O-OD1 2.94Å
85A49Very low48.5Very low47 Ų4780.3 Ų80.339%0.38840%0.397SS..Hα-helixtrans-64.8-38.7176.800000112.8H81 R83 N88 Q89H81-A85 WeakPolarHBondContact O-CB 2.83Å; H81-A85 PolarHBondContact O-N 2.86Å; R83-A85 VanDerWaalsContact C-N 3.25Å; R83-A85 PolarHBondContact O-N 3.02Å; A85-N88 PolarHBondContact O-N 3.3Å; A85-Q89 VanDerWaalsContact O-CG 3.24Å; A85-Q89 WeakPolarHBondContact O-CG 3.19Å; A85-Q89 PolarHBondContact O-N 2.77Å
86V46.7Very low48.8Very low57 Ų5777.7 Ų77.735%0.34538%0.379SS..Hα-helixtrans-74.7-41.2175.8168.40000111.6R8 V82 R83 K84 N88 Q89 L90R8-V86 VanDerWaalsContact NH1-CG2 3.29Å; V82-V86 PolarHBondContact O-N 3.28Å; R83-V86 PolarHBondContact O-N 2.85Å; K84-V86 PolarHBondContact O-N 3.01Å; V86-N88 PolarHBondContact O-N 3.3Å; V86-Q89 PolarHBondContact O-N 3.4Å; V86-Q89 VanDerWaalsContact O-N 3.17Å; V86-L90 HydrophobicContact CG1-CD1 3.96Å; V86-L90 HydrophobicContact CG1-CG 4.46Å; V86-L90 WeakPolarHBondContact O-CB 3.38Å; V86-L90 PolarHBondContact O-N 3.02Å
87E51Low48.9Very low53 Ų5374.5 Ų74.525%0.24836%0.36CS..Hα-helixtrans-57.4-40.8171-73.5174.9169.700110R83 K84 D91R83-E87 HydrophobicContact CG-CG 4.36Å; R83-E87 IonicContact CZ-OE1 3.53Å; R83-E87 IonicContact NE-OE1 3.49Å; R83-E87 PolarHBondContact NE-OE1 3.31Å; R83-E87 IonicContact NE-OE2 2.9Å; R83-E87 IonicContact NH2-OE1 2.74Å; R83-E87 PolarHBondContact NH2-OE1 3.12Å; R83-E87 WeakPolarHBondContact O-CG 3.33Å; R83-E87 PolarHBondContact O-N 2.95Å; K84-E87 PolarHBondContact O-N 3.43Å; E87-D91 WeakPolarHBondContact O-CA 3.45Å; E87-D91 WeakPolarHBondContact O-CB 3.42Å; E87-D91 VanDerWaalsContact O-CG 3.23Å; E87-D91 PolarHBondContact O-N 3.21Å; E87-D91 VanDerWaalsContact O-OD2 3.11Å
88N50.7Low49.1Very low101 Ų10169.8 Ų69.854%0.5433%0.334SS..Hα-helixtrans-67.3-37.6174.9-71.6-3.5000113.1K84 A85 V86 D91 F92K84-N88 WeakPolarHBondContact O-CB 3.33Å; K84-N88 PolarHBondContact O-N 3.37Å; K84-N88 PolarHBondContact O-ND2 3.43Å; K84-N88 PolarHBondContact O-OD1 2.94Å; A85-N88 PolarHBondContact O-N 3.3Å; V86-N88 PolarHBondContact O-N 3.3Å; N88-D91 CarbonylContact O-C 3.59Å; N88-D91 PolarHBondContact O-N 2.88Å; N88-F92 VanDerWaalsContact O-CB 3.22Å; N88-F92 WeakPolarHBondContact O-CB 3.25Å; N88-F92 PolarHBondContact O-N 3.12Å
89Q50.8Low48.9Very low134 Ų13470.3 Ų70.363%0.62634%0.343SS*.Hα-helixtrans-71.7-40.8176.5-74.8-71.3-34.500111.8A85 V86 D91 F92 L93A85-Q89 VanDerWaalsContact O-CG 3.24Å; A85-Q89 WeakPolarHBondContact O-CG 3.19Å; A85-Q89 PolarHBondContact O-N 2.77Å; V86-Q89 PolarHBondContact O-N 3.4Å; V86-Q89 VanDerWaalsContact O-N 3.17Å; Q89-D91 VanDerWaalsContact C-N 3.32Å; Q89-F92 WeakPolarHBondContact O-CB 3.44Å; Q89-F92 PolarHBondContact O-N 3.47Å; Q89-L93 PolarHBondContact O-N 3.03Å
90L52Low49.2Very low73 Ų7375 Ų7538%0.38236%0.356SS..Hα-helixtrans-63.4-43169.3-77.5166.2000109.9V86 F92 L93 F94V86-L90 HydrophobicContact CG1-CD1 3.96Å; V86-L90 HydrophobicContact CG1-CG 4.46Å; V86-L90 WeakPolarHBondContact O-CB 3.38Å; V86-L90 PolarHBondContact O-N 3.02Å; L90-F92 VanDerWaalsContact C-N 3.25Å; L90-F92 PolarHBondContact O-N 3.23Å; L90-L93 WeakPolarHBondContact O-CB 3.18Å; L90-L93 PolarHBondContact O-N 3.09Å; L90-F94 HydrophobicContact CB-CD2 4.32Å; L90-F94 HydrophobicContact CB-CE2 4.33Å; L90-F94 HydrophobicContact CD2-CE2 4.3Å; L90-F94 WeakPolarHBondContact O-CB 3.3Å; L90-F94 WeakPolarHBondContact O-CD2 3.41Å; L90-F94 PolarHBondContact O-N 3.45Å
91D52.9Low49.3Very low27 Ų2775.9 Ų75.914%0.14435%0.354CS..Hα-helixtrans-62.6-34.9176-86.8-43.8000111.5E87 N88 Q89 Q95 R107 R111E87-D91 WeakPolarHBondContact O-CA 3.45Å; E87-D91 WeakPolarHBondContact O-CB 3.42Å; E87-D91 VanDerWaalsContact O-CG 3.23Å; E87-D91 PolarHBondContact O-N 3.21Å; E87-D91 VanDerWaalsContact O-OD2 3.11Å; N88-D91 CarbonylContact O-C 3.59Å; N88-D91 PolarHBondContact O-N 2.88Å; Q89-D91 VanDerWaalsContact C-N 3.32Å; D91-Q95 WeakPolarHBondContact O-CA 3.41Å; D91-Q95 WeakPolarHBondContact O-CB 3.47Å; D91-Q95 VanDerWaalsContact O-CG 3.28Å; D91-Q95 WeakPolarHBondContact O-CG 3.27Å; D91-Q95 PolarHBondContact O-N 3.42Å; D91-R107 PolarHBondContact O-NH1 3.2Å; D91-R107 IonicContact OD1-CZ 2.71Å; D91-R107 IonicContact OD1-NH1 3.94Å; D91-R107 IonicContact OD1-NH2 3.39Å; D91-R107 PolarHBondContact OD1-NH2 3.1Å; D91-R111 IonicContact OD1-CZ 2.71Å; D91-R111 IonicContact OD1-NH1 3.86Å; D91-R111 PolarHBondContact OD1-NH1 3.41Å; D91-R111 IonicContact OD2-CZ 3.82Å; D91-R111 IonicContact OD2-NH1 2.84Å; D91-R111 PolarHBondContact OD2-NH1 2.74Å; D91-R111 IonicContact OD2-NH2 3.01Å
92F52.4Low49.3Very low81 Ų8170.2 Ų70.236%0.35533%0.327SS..Hα-helixtrans-68.7-44.4172.8-177.6-95.2000111.8A43 N88 Q89 L90 Q95 H96A43-F92 HydrophobicContact CB-CE1 3.8Å; A43-F92 HydrophobicContact CB-CE2 4.22Å; A43-F92 HydrophobicContact CB-CZ 3.29Å; N88-F92 VanDerWaalsContact O-CB 3.22Å; N88-F92 WeakPolarHBondContact O-CB 3.25Å; N88-F92 PolarHBondContact O-N 3.12Å; Q89-F92 WeakPolarHBondContact O-CB 3.44Å; Q89-F92 PolarHBondContact O-N 3.47Å; L90-F92 VanDerWaalsContact C-N 3.25Å; L90-F92 PolarHBondContact O-N 3.23Å; F92-Q95 PolarHBondContact O-N 2.84Å; F92-H96 VanDerWaalsContact O-CB 3.3Å; F92-H96 WeakPolarHBondContact O-CB 3.42Å; F92-H96 PolarHBondContact O-N 3.48Å
93L52.4Low49.5Very low31 Ų3172.9 Ų72.916%0.16234%0.344CS..Hα-helixtrans-59.8-50.2174.7-174.287.4000110.8M29 L33 L37 Q89 L90 H96 W97M29-L93 HydrophobicContact CE-CD2 3.89Å; L33-L93 HydrophobicContact CD2-CD2 4.21Å; L33-L93 HydrophobicContact CD2-CG 4.3Å; L37-L93 HydrophobicContact CD2-CD1 3.51Å; L37-L93 HydrophobicContact CG-CD1 4.33Å; Q89-L93 PolarHBondContact O-N 3.03Å; L90-L93 WeakPolarHBondContact O-CB 3.18Å; L90-L93 PolarHBondContact O-N 3.09Å; L93-H96 PolarHBondContact O-N 3.33Å; L93-W97 WeakPolarHBondContact O-CB 3.41Å; L93-W97 PolarHBondContact O-N 3.21Å
94F53.6Low49.5Very low10 Ų1072 Ų724%0.04435%0.347CS..Hα-helixtrans-67-41.6177.1-74.2-62000111L33 L90 W97 F98 R107L33-F94 HydrophobicContact CD1-CD1 3.83Å; L33-F94 HydrophobicContact CD1-CE1 3.4Å; L33-F94 VanDerWaalsContact CD1-CE1 3.4Å; L33-F94 HydrophobicContact CD1-CZ 4.33Å; L90-F94 HydrophobicContact CB-CD2 4.32Å; L90-F94 HydrophobicContact CB-CE2 4.33Å; L90-F94 HydrophobicContact CD2-CE2 4.3Å; L90-F94 WeakPolarHBondContact O-CB 3.3Å; L90-F94 WeakPolarHBondContact O-CD2 3.41Å; L90-F94 PolarHBondContact O-N 3.45Å; F94-W97 PolarHBondContact O-N 3Å; F94-F98 HydrophobicContact CB-CD2 3.98Å; F94-F98 HydrophobicContact CB-CE2 4.12Å; F94-F98 HydrophobicContact CD1-CD2 4.19Å; F94-F98 AromaticContact CD1-CE2 3.53Å; F94-F98 HydrophobicContact CD1-CE2 3.53Å; F94-F98 HydrophobicContact CD1-CZ 4.45Å; F94-F98 HydrophobicContact CE1-CE2 4.36Å; F94-F98 HydrophobicContact CG-CE2 4.22Å; F94-F98 VanDerWaalsContact O-CB 3.23Å; F94-F98 WeakPolarHBondContact O-CB 3.16Å; F94-F98 WeakPolarHBondContact O-CD2 3.29Å; F94-F98 WeakPolarHBondContact O-CG 3.29Å; F94-F98 PolarHBondContact O-N 2.93Å; F94-R107 VanDerWaalsContact CB-NH1 3.29Å
95Q48Very low49.2Very low84 Ų8473.6 Ų73.639%0.39336%0.359SS..Hα-helixtrans-58.9-51.5176.1-94.2174.2-7.300108.5D91 F92 W97 F98 H99D91-Q95 WeakPolarHBondContact O-CA 3.41Å; D91-Q95 WeakPolarHBondContact O-CB 3.47Å; D91-Q95 VanDerWaalsContact O-CG 3.28Å; D91-Q95 WeakPolarHBondContact O-CG 3.27Å; D91-Q95 PolarHBondContact O-N 3.42Å; F92-Q95 PolarHBondContact O-N 2.84Å; Q95-W97 PolarHBondContact O-N 3.46Å; Q95-F98 PolarHBondContact O-N 2.88Å; Q95-H99 WeakPolarHBondContact O-CA 3.44Å; Q95-H99 WeakPolarHBondContact O-CB 3.34Å; Q95-H99 PolarHBondContact O-N 3.14Å
96H49.6Very low49.3Very low18 Ų1873.4 Ų73.48%0.08335%0.35CS..Hα-helixtrans-60.8-48-179.4-172.191000112.5Y36 A43 P44 F92 L93 F98Y36-H96 AromaticContact CE1-CD2 3.6Å; Y36-H96 AromaticContact CE2-CD2 3.35Å; Y36-H96 WeakPolarHBondContact CE2-CD2 3.29Å; Y36-H96 AromaticContact CE2-NE2 3.35Å; Y36-H96 WeakPolarHBondContact CE2-NE2 3.36Å; Y36-H96 AromaticContact CZ-CD2 2.96Å; Y36-H96 AromaticContact CZ-CG 3.87Å; Y36-H96 AromaticContact CZ-NE2 3.25Å; Y36-H96 PolarHBondContact OH-CD2 3.39Å; Y36-H96 PolarHBondContact OH-CE1 2.77Å; Y36-H96 PolarHBondContact OH-NE2 3.29Å; A43-H96 WeakPolarHBondContact CA-ND1 3.39Å; P44-H96 VanDerWaalsContact CD-CE1 3.41Å; P44-H96 WeakPolarHBondContact CD-CE1 3.38Å; P44-H96 WeakPolarHBondContact CD-ND1 3.35Å; F92-H96 VanDerWaalsContact O-CB 3.3Å; F92-H96 WeakPolarHBondContact O-CB 3.42Å; F92-H96 PolarHBondContact O-N 3.48Å; L93-H96 PolarHBondContact O-N 3.33Å; H96-F98 PolarHBondContact O-N 3.22Å
97W48.3Very low49.7Very low4 Ų472.4 Ų72.42%0.01534%0.34CS..Hα-helixtrans-63.6-43.1-179.3-168.976.2000112.2G32 L33 Y36 L93 F94 Q95 R101 Y177G32-W97 VanDerWaalsContact C-NE1 3.29Å; G32-W97 PolarHBondContact O-NE1 3.43Å; L33-W97 HydrophobicContact CD1-CE3 4.42Å; L33-W97 HydrophobicContact CD2-CB 3.44Å; L33-W97 VanDerWaalsContact CD2-CB 3.44Å; L33-W97 HydrophobicContact CD2-CD2 3.57Å; L33-W97 HydrophobicContact CD2-CE3 4.05Å; L33-W97 HydrophobicContact CD2-CG 3.27Å; L33-W97 HydrophobicContact CG-CD2 3.74Å; L33-W97 HydrophobicContact CG-CE3 4.02Å; L33-W97 HydrophobicContact CG-CG 3.98Å; L33-W97 HydrophobicContact CG-CZ2 4.45Å; L33-W97 HydrophobicContact CG-CZ3 4.45Å; Y36-W97 AromaticContact CG-CD1 4Å; L93-W97 WeakPolarHBondContact O-CB 3.41Å; L93-W97 PolarHBondContact O-N 3.21Å; F94-W97 PolarHBondContact O-N 3Å; Q95-W97 PolarHBondContact O-N 3.46Å; W97-R101 WeakPolarHBondContact O-CB 3.27Å; W97-Y177 AromaticContact CH2-CE2 3.98Å; W97-Y177 HydrophobicContact CH2-CE2 3.98Å; W97-Y177 HydrophobicContact CZ2-CE2 4.18Å
98F49.6Very low50Low5 Ų576.2 Ų76.22%0.02236%0.356CS..Hα-helixtrans-82.1-31.6-178.4-70.3-63.3000113.5F94 Q95 H96 R100 R101 K102 R107 T110F94-F98 HydrophobicContact CB-CD2 3.98Å; F94-F98 HydrophobicContact CB-CE2 4.12Å; F94-F98 HydrophobicContact CD1-CD2 4.19Å; F94-F98 AromaticContact CD1-CE2 3.53Å; F94-F98 HydrophobicContact CD1-CE2 3.53Å; F94-F98 HydrophobicContact CD1-CZ 4.45Å; F94-F98 HydrophobicContact CE1-CE2 4.36Å; F94-F98 HydrophobicContact CG-CE2 4.22Å; F94-F98 VanDerWaalsContact O-CB 3.23Å; F94-F98 WeakPolarHBondContact O-CB 3.16Å; F94-F98 WeakPolarHBondContact O-CD2 3.29Å; F94-F98 WeakPolarHBondContact O-CG 3.29Å; F94-F98 PolarHBondContact O-N 2.93Å; Q95-F98 PolarHBondContact O-N 2.88Å; H96-F98 PolarHBondContact O-N 3.22Å; F98-R100 PolarHBondContact O-N 3.41Å; F98-R101 CarbonylContact O-C 3.6Å; F98-R101 PolarHBondContact O-N 3.28Å; F98-K102 HydrophobicContact CD1-CB 3.75Å; F98-K102 HydrophobicContact CD1-CD 3.95Å; F98-K102 HydrophobicContact CD1-CG 4.1Å; F98-K102 HydrophobicContact CE1-CB 4.36Å; F98-K102 HydrophobicContact CE1-CD 3.77Å; F98-K102 HydrophobicContact CE1-CG 4.42Å; F98-K102 PolarHBondContact O-N 2.88Å; F98-R107 HydrophobicContact CB-CB 4.39Å; F98-R107 HydrophobicContact CD1-CB 4.5Å; F98-R107 HydrophobicContact CD2-CB 3.52Å; F98-R107 HydrophobicContact CD2-CG 3.4Å; F98-R107 VanDerWaalsContact CD2-CG 3.4Å; F98-R107 HydrophobicContact CE2-CB 3.78Å; F98-R107 HydrophobicContact CE2-CG 3.73Å; F98-R107 HydrophobicContact CG-CB 3.92Å; F98-R107 HydrophobicContact CG-CG 4.21Å; F98-R107 HydrophobicContact CZ-CB 4.34Å; F98-T110 HydrophobicContact CZ-CG2 4.3Å; F98-T110 VanDerWaalsContact CZ-OG1 3.25Å; F98-T110 WeakPolarHBondContact CZ-OG1 3.35Å
99H42.7Very low50.6Low165 Ų16575.1 Ų75.176%0.76435%0.35SS*.Hα-helixtrans-63-27.2-179.6-152.977.2000111.7Q95Q95-H99 WeakPolarHBondContact O-CA 3.44Å; Q95-H99 WeakPolarHBondContact O-CB 3.34Å; Q95-H99 PolarHBondContact O-N 3.14Å
100R47.7Very low51.1Low168 Ų16869 Ų6963%0.63432%0.322SS*.THydrogen-bonded Turntrans-86.5-12.8170.1-120.3-176.7-177.9-177.30114.2D41 F98D41-R100 IonicContact OD2-NH1 3.35Å; D41-R100 PolarHBondContact OD2-NH1 2.94Å; F98-R100 PolarHBondContact O-N 3.41Å
101R52Low51.7Low95 Ų9569.4 Ų69.436%0.35832%0.319SS..THydrogen-bonded Turntrans-136.6-28.4-161.9-67.9-177.7179.4177.5-1117.7W97 F98 L180W97-R101 WeakPolarHBondContact O-CB 3.27Å; F98-R101 CarbonylContact O-C 3.6Å; F98-R101 PolarHBondContact O-N 3.28Å; R101-L180 HydrophobicContact CB-CD1 3.81Å; R101-L180 HydrophobicContact CG-CD1 4.14Å; R101-L180 WeakPolarHBondContact O-CD2 3.49Å
102K46.5Very low52.4Low25 Ų2572.5 Ų72.511%0.10933%0.332CS..SBendtrans-151163-177.6-61.2-179.7153.9-173.60114F98 Q106 E170F98-K102 HydrophobicContact CD1-CB 3.75Å; F98-K102 HydrophobicContact CD1-CD 3.95Å; F98-K102 HydrophobicContact CD1-CG 4.1Å; F98-K102 HydrophobicContact CE1-CB 4.36Å; F98-K102 HydrophobicContact CE1-CD 3.77Å; F98-K102 HydrophobicContact CE1-CG 4.42Å; F98-K102 PolarHBondContact O-N 2.88Å; K102-Q106 HydrophobicContact CD-CB 4.42Å; K102-E170 WeakPolarHBondContact CE-OE1 3.44Å; K102-E170 IonicContact NZ-OE1 3.2Å; K102-E170 PolarHBondContact NZ-OE1 2.93Å
103T47.7Very low53.1Low95 Ų9570.3 Ų70.358%0.58332%0.324SS*.  trans-68.3150173.947.10000112.1L105 Q106T103-L105 PolarHBondContact O-N 3.42Å; T103-Q106 PolarHBondContact O-N 3.07Å
104E45Very low53.8Low141 Ų14169.9 Ų69.966%0.65932%0.322SS*.Hα-helixtrans-54.6-24.3-178.4-168.9168.9-179.400114.2
105L45.3Very low54.5Low131 Ų13174 Ų7469%0.68634%0.34SS*.Hα-helixtrans-65.8-52.2178-141.784.5000112.2T103 R107 K108 D109T103-L105 PolarHBondContact O-N 3.42Å; L105-R107 PolarHBondContact O-N 3.26Å; L105-K108 PolarHBondContact O-N 2.96Å; L105-K108 VanDerWaalsContact O-N 3.11Å; L105-D109 PolarHBondContact O-N 3.02Å
106Q51.4Low55.6Low43 Ų4372.6 Ų72.620%0.20134%0.337CS..Hα-helixtrans-65.8-26.2-178.2-69.4-173.7-44.600112.7K102 T103 K108 D109 T110 E170K102-Q106 HydrophobicContact CD-CB 4.42Å; T103-Q106 PolarHBondContact O-N 3.07Å; Q106-K108 VanDerWaalsContact C-N 3.34Å; Q106-D109 PolarHBondContact O-N 2.89Å; Q106-T110 PolarHBondContact O-N 3.42Å; Q106-T110 PolarHBondContact O-OG1 2.88Å; Q106-E170 PolarHBondContact NE2-OE1 2.76Å
107R53.4Low56.6Low36 Ų3672.6 Ų72.614%0.13634%0.34CS..Hα-helixtrans-63.9-38.5175.1171.4179.3133.392.911.3111.9D91 F94 F98 L105 T110 R111D91-R107 PolarHBondContact O-NH1 3.2Å; D91-R107 IonicContact OD1-CZ 2.71Å; D91-R107 IonicContact OD1-NH1 3.94Å; D91-R107 IonicContact OD1-NH2 3.39Å; D91-R107 PolarHBondContact OD1-NH2 3.1Å; F94-R107 VanDerWaalsContact CB-NH1 3.29Å; F98-R107 HydrophobicContact CB-CB 4.39Å; F98-R107 HydrophobicContact CD1-CB 4.5Å; F98-R107 HydrophobicContact CD2-CB 3.52Å; F98-R107 HydrophobicContact CD2-CG 3.4Å; F98-R107 VanDerWaalsContact CD2-CG 3.4Å; F98-R107 HydrophobicContact CE2-CB 3.78Å; F98-R107 HydrophobicContact CE2-CG 3.73Å; F98-R107 HydrophobicContact CG-CB 3.92Å; F98-R107 HydrophobicContact CG-CG 4.21Å; F98-R107 HydrophobicContact CZ-CB 4.34Å; L105-R107 PolarHBondContact O-N 3.26Å; R107-T110 PolarHBondContact O-OG1 2.78Å; R107-R111 WeakPolarHBondContact O-CB 3.24Å; R107-R111 PolarHBondContact O-N 3.41Å
108K57.7Low57.7Low134 Ų13475.8 Ų75.858%0.58336%0.357SS*.Hα-helixtrans-71.6-39.4178-71.3-179.1179.4174.10111L105 Q106 Q112L105-K108 PolarHBondContact O-N 2.96Å; L105-K108 VanDerWaalsContact O-N 3.11Å; Q106-K108 VanDerWaalsContact C-N 3.34Å; K108-Q112 VanDerWaalsContact O-CB 3.26Å; K108-Q112 WeakPolarHBondContact O-CB 3.26Å; K108-Q112 PolarHBondContact O-N 3Å
109D63.8Low59Low78 Ų7879.8 Ų79.842%0.41738%0.376SS..Hα-helixtrans-68.3-50.5-178.6-57.6-23.6000111.9L105 Q106 R111 Q112 D113L105-D109 PolarHBondContact O-N 3.02Å; Q106-D109 PolarHBondContact O-N 2.89Å; D109-R111 VanDerWaalsContact C-N 3.31Å; D109-R111 PolarHBondContact O-N 3.19Å; D109-Q112 CarbonylContact O-C 3.59Å; D109-Q112 WeakPolarHBondContact O-CA 3.19Å; D109-Q112 WeakPolarHBondContact O-CB 3.34Å; D109-Q112 PolarHBondContact O-N 3.12Å; D109-D113 VanDerWaalsContact O-CG 3.28Å; D109-D113 PolarHBondContact O-N 3.33Å
110T61.9Low60.5Low6 Ų676.4 Ų76.44%0.03736%0.363CS..Hα-helixtrans-57.6-40.1176.643.40000113.2F98 Q106 R107 Q112 L114 Y164 S166 L167F98-T110 HydrophobicContact CZ-CG2 4.3Å; F98-T110 VanDerWaalsContact CZ-OG1 3.25Å; F98-T110 WeakPolarHBondContact CZ-OG1 3.35Å; Q106-T110 PolarHBondContact O-N 3.42Å; Q106-T110 PolarHBondContact O-OG1 2.88Å; R107-T110 PolarHBondContact O-OG1 2.78Å; T110-Q112 VanDerWaalsContact C-N 3.35Å; T110-L114 PolarHBondContact O-N 2.88Å; T110-Y164 HydrophobicContact CG2-CD1 4.47Å; T110-Y164 WeakPolarHBondContact O-CE1 3.34Å; T110-S166 WeakPolarHBondContact CA-OG 3.31Å; T110-S166 WeakPolarHBondContact CG2-OG 3.49Å; T110-S166 PolarHBondContact N-OG 3.45Å; T110-L167 HydrophobicContact CG2-CD1 4.14Å; T110-L167 HydrophobicContact CG2-CD2 3.94Å; T110-L167 HydrophobicContact CG2-CG 3.91Å
111R63.7Low61.8Low81 Ų8171 Ų7131%0.30635%0.346SS..Hα-helixtrans-65.9-40.4174.6-177.9179.5176.5-179.6-0.3111.2D91 R107 D109 K115D91-R111 IonicContact OD1-CZ 2.71Å; D91-R111 IonicContact OD1-NH1 3.86Å; D91-R111 PolarHBondContact OD1-NH1 3.41Å; D91-R111 IonicContact OD2-CZ 3.82Å; D91-R111 IonicContact OD2-NH1 2.84Å; D91-R111 PolarHBondContact OD2-NH1 2.74Å; D91-R111 IonicContact OD2-NH2 3.01Å; R107-R111 WeakPolarHBondContact O-CB 3.24Å; R107-R111 PolarHBondContact O-N 3.41Å; D109-R111 VanDerWaalsContact C-N 3.31Å; D109-R111 PolarHBondContact O-N 3.19Å; R111-K115 WeakPolarHBondContact O-CB 3.47Å; R111-K115 PolarHBondContact O-N 3.25Å
112Q66.8Low62.9Low92 Ų9271.4 Ų71.443%0.4335%0.354SS..Hα-helixtrans-68-41.4179.1-172.86125.900111.2K108 D109 T110 L114 K115 V116K108-Q112 VanDerWaalsContact O-CB 3.26Å; K108-Q112 WeakPolarHBondContact O-CB 3.26Å; K108-Q112 PolarHBondContact O-N 3Å; D109-Q112 CarbonylContact O-C 3.59Å; D109-Q112 WeakPolarHBondContact O-CA 3.19Å; D109-Q112 WeakPolarHBondContact O-CB 3.34Å; D109-Q112 PolarHBondContact O-N 3.12Å; T110-Q112 VanDerWaalsContact C-N 3.35Å; Q112-L114 PolarHBondContact O-N 3.33Å; Q112-K115 PolarHBondContact O-N 3.01Å; Q112-V116 HydrophobicContact CG-CG2 4.24Å; Q112-V116 VanDerWaalsContact NE2-CG2 3.31Å; Q112-V116 WeakPolarHBondContact O-CB 3.16Å; Q112-V116 VanDerWaalsContact O-CG2 3.25Å; Q112-V116 WeakPolarHBondContact O-CG2 3.3Å; Q112-V116 PolarHBondContact O-N 3.45Å
113D67.5Low64.4Low35 Ų3574.3 Ų74.319%0.18737%0.368CS..Hα-helixtrans-56.2-49.6174.8-66.9-9.5000110.9D109 K115 V116 A117 Y164 Q165 S166D109-D113 VanDerWaalsContact O-CG 3.28Å; D109-D113 PolarHBondContact O-N 3.33Å; D113-K115 PolarHBondContact O-N 3.42Å; D113-V116 PolarHBondContact O-N 3.09Å; D113-A117 WeakPolarHBondContact O-CB 3.19Å; D113-A117 PolarHBondContact O-N 3.24Å; D113-Y164 HydrophobicContact CB-CD1 3.87Å; D113-Y164 HydrophobicContact CB-CE1 4.36Å; D113-Q165 PolarHBondContact OD2-N 3.09Å; D113-S166 WeakPolarHBondContact OD2-CB 3.34Å; D113-S166 PolarHBondContact OD2-N 3.18Å; D113-S166 PolarHBondContact OD2-OG 2.59Å
114L67Low65.8Low22 Ų2272 Ų7212%0.11536%0.358CS..Hα-helixtrans-62.5-44.2177.717660.3000111.7I28 M29 T110 Q112 A117 L118 V146 Y164I28-L114 HydrophobicContact CG2-CD1 3.68Å; I28-L114 HydrophobicContact CG2-CD2 4.42Å; M29-L114 HydrophobicContact SD-CD2 4.46Å; T110-L114 PolarHBondContact O-N 2.88Å; Q112-L114 PolarHBondContact O-N 3.33Å; L114-A117 PolarHBondContact O-N 2.95Å; L114-L118 HydrophobicContact CD1-CD1 3.86Å; L114-L118 HydrophobicContact CD1-CG 4.09Å; L114-L118 HydrophobicContact CG-CD1 3.98Å; L114-L118 WeakPolarHBondContact O-CB 3.4Å; L114-L118 WeakPolarHBondContact O-CG 3.43Å; L114-L118 PolarHBondContact O-N 3.45Å; L114-V146 HydrophobicContact CD1-CG2 3.77Å; L114-Y164 HydrophobicContact CB-CE1 3.98Å
115K68.5Low67.2Low95 Ų9568 Ų6841%0.41334%0.339SS..Hα-helixtrans-61.5-47.3179.8-179.5-176.3166.3-170.40110.8R111 Q112 D113 L118 E119R111-K115 WeakPolarHBondContact O-CB 3.47Å; R111-K115 PolarHBondContact O-N 3.25Å; Q112-K115 PolarHBondContact O-N 3.01Å; D113-K115 PolarHBondContact O-N 3.42Å; K115-L118 PolarHBondContact O-N 3.2Å; K115-E119 WeakPolarHBondContact CE-OE1 3.48Å; K115-E119 HydrophobicContact CG-CG 4.48Å; K115-E119 IonicContact NZ-OE1 3.45Å; K115-E119 WeakPolarHBondContact O-CB 3.12Å; K115-E119 WeakPolarHBondContact O-CG 3.1Å; K115-E119 PolarHBondContact O-N 3.37Å
116V72.2Confident68.8Low55 Ų5565.5 Ų65.533%0.33332%0.324SS..Hα-helixtrans-64.7-43.6-179.9171.20000110.8Q112 D113 L118 E119 N120Q112-V116 HydrophobicContact CG-CG2 4.24Å; Q112-V116 VanDerWaalsContact NE2-CG2 3.31Å; Q112-V116 WeakPolarHBondContact O-CB 3.16Å; Q112-V116 VanDerWaalsContact O-CG2 3.25Å; Q112-V116 WeakPolarHBondContact O-CG2 3.3Å; Q112-V116 PolarHBondContact O-N 3.45Å; D113-V116 PolarHBondContact O-N 3.09Å; V116-L118 VanDerWaalsContact C-N 3.35Å; V116-L118 PolarHBondContact O-N 3.25Å; V116-E119 PolarHBondContact O-N 3.4Å; V116-N120 WeakPolarHBondContact O-CB 3.15Å; V116-N120 VanDerWaalsContact O-CG 3.23Å; V116-N120 PolarHBondContact O-N 2.99Å; V116-N120 PolarHBondContact O-ND2 3.37Å
117A70.9Confident70.1Confident19 Ų1970.9 Ų70.916%0.15734%0.342CS..Hα-helixtrans-59.6-44.9177.100000111.9D113 L114 N120 E121 F144 V146D113-A117 WeakPolarHBondContact O-CB 3.19Å; D113-A117 PolarHBondContact O-N 3.24Å; L114-A117 PolarHBondContact O-N 2.95Å; A117-N120 PolarHBondContact O-N 2.85Å; A117-E121 WeakPolarHBondContact O-CB 3.34Å; A117-E121 PolarHBondContact O-N 3.3Å; A117-F144 HydrophobicContact CB-CZ 4.44Å; A117-V146 HydrophobicContact CB-CB 4.45Å; A117-V146 HydrophobicContact CB-CG1 3.95Å; A117-V146 HydrophobicContact CB-CG2 4.31Å
118L71Confident71.1Confident71 Ų7171.9 Ų71.937%0.37236%0.355SS..Hα-helixtrans-66.8-40176.8-71.5170000112.7L114 K115 V116 L122 F144L114-L118 HydrophobicContact CD1-CD1 3.86Å; L114-L118 HydrophobicContact CD1-CG 4.09Å; L114-L118 HydrophobicContact CG-CD1 3.98Å; L114-L118 WeakPolarHBondContact O-CB 3.4Å; L114-L118 WeakPolarHBondContact O-CG 3.43Å; L114-L118 PolarHBondContact O-N 3.45Å; K115-L118 PolarHBondContact O-N 3.2Å; V116-L118 VanDerWaalsContact C-N 3.35Å; V116-L118 PolarHBondContact O-N 3.25Å; L118-L122 VanDerWaalsContact O-CB 3.29Å; L118-L122 WeakPolarHBondContact O-CB 3.39Å; L118-L122 PolarHBondContact O-N 3.21Å; L118-F144 HydrophobicContact CD2-CE1 3.71Å; L118-F144 HydrophobicContact CD2-CZ 3.61Å; L118-F144 HydrophobicContact CG-CZ 4.21Å
119E75.7Confident72Confident89 Ų8972.1 Ų72.142%0.41635%0.352SS..Hα-helixtrans-65.4-40.9177.2-76.6175.417000111.7K115 V116 Q123K115-E119 WeakPolarHBondContact CE-OE1 3.48Å; K115-E119 HydrophobicContact CG-CG 4.48Å; K115-E119 IonicContact NZ-OE1 3.45Å; K115-E119 WeakPolarHBondContact O-CB 3.12Å; K115-E119 WeakPolarHBondContact O-CG 3.1Å; K115-E119 PolarHBondContact O-N 3.37Å; V116-E119 PolarHBondContact O-N 3.4Å; E119-Q123 WeakPolarHBondContact O-CG 3.3Å; E119-Q123 PolarHBondContact O-N 3.4Å
120N74.4Confident72.7Confident93 Ų9374.8 Ų74.850%0.49736%0.362SS..Hα-helixtrans-66-44.3176.8-72.9-15.3000111.8V116 A117 Q123 A124V116-N120 WeakPolarHBondContact O-CB 3.15Å; V116-N120 VanDerWaalsContact O-CG 3.23Å; V116-N120 PolarHBondContact O-N 2.99Å; V116-N120 PolarHBondContact O-ND2 3.37Å; A117-N120 PolarHBondContact O-N 2.85Å; N120-Q123 PolarHBondContact O-N 3.08Å; N120-A124 WeakPolarHBondContact O-CB 3.37Å; N120-A124 PolarHBondContact O-N 3.32Å
121E75.4Confident73.5Confident56 Ų5680 Ų8026%0.26239%0.394SS..Hα-helixtrans-63.5-42.4178.2-171.469.2-174.300111.5A117 Q123 A124 F125 W139 F144A117-E121 WeakPolarHBondContact O-CB 3.34Å; A117-E121 PolarHBondContact O-N 3.3Å; E121-Q123 PolarHBondContact O-N 3.4Å; E121-A124 PolarHBondContact O-N 3.03Å; E121-F125 WeakPolarHBondContact O-CB 3.31Å; E121-F125 PolarHBondContact O-N 2.78Å; E121-W139 HydrophobicContact CG-CZ2 4.2Å; E121-W139 PolarHBondContact OE1-NE1 3.39Å; E121-F144 HydrophobicContact CB-CD2 3.91Å; E121-F144 HydrophobicContact CB-CE2 3.6Å; E121-F144 HydrophobicContact CB-CZ 4.48Å; E121-F144 VanDerWaalsContact CD-CD2 3.45Å; E121-F144 HydrophobicContact CG-CD2 3.46Å; E121-F144 VanDerWaalsContact CG-CD2 3.46Å; E121-F144 HydrophobicContact CG-CE2 3.7Å; E121-F144 HydrophobicContact CG-CG 4.29Å
122L74.5Confident73.6Confident102 Ų10281 Ų8153%0.53440%0.402SS..Hα-helixtrans-63-43.2176.8-169.5121000111.4L118 F125 E126L118-L122 VanDerWaalsContact O-CB 3.29Å; L118-L122 WeakPolarHBondContact O-CB 3.39Å; L118-L122 PolarHBondContact O-N 3.21Å; L122-F125 PolarHBondContact O-N 3.15Å; L122-E126 WeakPolarHBondContact O-CG 3.43Å; L122-E126 PolarHBondContact O-N 2.78Å
123Q77.8Confident73.6Confident87 Ų8785 Ų8541%0.40742%0.421SS..Hα-helixtrans-64-40.2174.8-75179.72900112.5E119 N120 E121 F125 E126 R127E119-Q123 WeakPolarHBondContact O-CG 3.3Å; E119-Q123 PolarHBondContact O-N 3.4Å; N120-Q123 PolarHBondContact O-N 3.08Å; E121-Q123 PolarHBondContact O-N 3.4Å; Q123-F125 VanDerWaalsContact C-N 3.33Å; Q123-E126 PolarHBondContact O-N 3.44Å; Q123-R127 VanDerWaalsContact O-CG 3.3Å; Q123-R127 WeakPolarHBondContact O-CG 3.33Å; Q123-R127 PolarHBondContact O-N 2.75Å
124A77Confident73.8Confident45 Ų4587.6 Ų87.637%0.37246%0.456SS..Hα-helixtrans-64.1-40.3176.900000111.6N120 E121 S128N120-A124 WeakPolarHBondContact O-CB 3.37Å; N120-A124 PolarHBondContact O-N 3.32Å; E121-A124 PolarHBondContact O-N 3.03Å; A124-S128 PolarHBondContact O-N 2.81Å; A124-S128 VanDerWaalsContact O-N 3.07Å; A124-S128 PolarHBondContact O-OG 3.14Å
125F74.9Confident74Confident58 Ų5893.4 Ų93.425%0.25448%0.482SS..Hα-helixtrans-65.1-44.8174.9-178.4-106000112.2E121 L122 Q123 R127 S128 R129 V137 W139E121-F125 WeakPolarHBondContact O-CB 3.31Å; E121-F125 PolarHBondContact O-N 2.78Å; L122-F125 PolarHBondContact O-N 3.15Å; Q123-F125 VanDerWaalsContact C-N 3.33Å; F125-R127 PolarHBondContact O-N 3.04Å; F125-S128 PolarHBondContact O-N 3.42Å; F125-R129 PolarHBondContact O-N 2.92Å; F125-V137 HydrophobicContact CD2-CG1 4.42Å; F125-V137 HydrophobicContact CE2-CG1 3.86Å; F125-W139 HydrophobicContact CD2-CB 3.95Å; F125-W139 HydrophobicContact CE2-CB 3.87Å; F125-W139 VanDerWaalsContact CE2-N 3.33Å; F125-W139 HydrophobicContact CZ-CB 4.44Å
126E78.4Confident74.3Confident79 Ų7997 Ų9737%0.36951%0.505SS..Hα-helixtrans-61-44.9177.2-75.9178.5168.200111.9L122 Q123 S128 R129 E130L122-E126 WeakPolarHBondContact O-CG 3.43Å; L122-E126 PolarHBondContact O-N 2.78Å; Q123-E126 PolarHBondContact O-N 3.44Å; E126-S128 VanDerWaalsContact C-N 3.33Å; E126-S128 PolarHBondContact O-N 3.48Å; E126-R129 WeakPolarHBondContact O-CB 3.45Å; E126-R129 PolarHBondContact O-N 3.23Å; E126-E130 WeakPolarHBondContact O-CG 3.06Å; E126-E130 PolarHBondContact O-N 3.27Å
127R79.4Confident74.2Confident155 Ų15595.8 Ų95.859%0.58550%0.498SS*.Hα-helixtrans-61.2-39.5175.4-71.8176.2-166.4166.89.3112.8Q123 F125 R129 E130 T131Q123-R127 VanDerWaalsContact O-CG 3.3Å; Q123-R127 WeakPolarHBondContact O-CG 3.33Å; Q123-R127 PolarHBondContact O-N 2.75Å; F125-R127 PolarHBondContact O-N 3.04Å; R127-R129 VanDerWaalsContact C-N 3.34Å; R127-E130 PolarHBondContact O-N 2.79Å; R127-T131 PolarHBondContact O-N 3.12Å; R127-T131 PolarHBondContact O-OG1 3.41Å
128S75.4Confident74.4Confident58 Ų5899.8 Ų99.841%0.40652%0.524SS..Hα-helixtrans-66.1-40.2178-56.80000111A124 F125 E126 E130 T131 E132A124-S128 PolarHBondContact O-N 2.81Å; A124-S128 VanDerWaalsContact O-N 3.07Å; A124-S128 PolarHBondContact O-OG 3.14Å; F125-S128 PolarHBondContact O-N 3.42Å; E126-S128 VanDerWaalsContact C-N 3.33Å; E126-S128 PolarHBondContact O-N 3.48Å; S128-E130 VanDerWaalsContact C-N 3.34Å; S128-E130 PolarHBondContact O-N 2.93Å; S128-T131 PolarHBondContact O-N 3.3Å; S128-E132 PolarHBondContact O-N 2.82Å; S128-E132 VanDerWaalsContact O-N 3.16Å
129R75Confident74.4Confident139 Ų139100.6 Ų100.653%0.52552%0.522SS..Hα-helixtrans-65.7-34.9175.6-166-174.366.6-179-4.5113.1F125 E126 R127F125-R129 PolarHBondContact O-N 2.92Å; E126-R129 WeakPolarHBondContact O-CB 3.45Å; E126-R129 PolarHBondContact O-N 3.23Å; R127-R129 VanDerWaalsContact C-N 3.34Å
130E79.2Confident74.3Confident133 Ų133100 Ų10062%0.62152%0.522SS*.Hα-helixtrans-71.9-29.5174.3-72175-179.300112.6E126 R127 S128E126-E130 WeakPolarHBondContact O-CG 3.06Å; E126-E130 PolarHBondContact O-N 3.27Å; R127-E130 PolarHBondContact O-N 2.79Å; S128-E130 VanDerWaalsContact C-N 3.34Å; S128-E130 PolarHBondContact O-N 2.93Å
131T79.8Confident74Confident116 Ų11698.2 Ų98.271%0.71251%0.508SS*.Hα-helixtrans-78-37.6-178.4-53.70000112.2R127 S128 E133R127-T131 PolarHBondContact O-N 3.12Å; R127-T131 PolarHBondContact O-OG1 3.41Å; S128-T131 PolarHBondContact O-N 3.3Å; T131-E133 PolarHBondContact O-N 2.84Å
132E65.6Low73.6Confident102 Ų102102 Ų10248%0.47752%0.52SS..SBendtrans-10057.6-179.1-65.7-174.2167.400111.9S128 G134 Q135 V137S128-E132 PolarHBondContact O-N 2.82Å; S128-E132 VanDerWaalsContact O-N 3.16Å; E132-G134 PolarHBondContact O-N 2.82Å; E132-G134 VanDerWaalsContact O-N 3.08Å; E132-Q135 HydrophobicContact CB-CB 4.45Å; E132-Q135 PolarHBondContact O-N 3.4Å; E132-Q135 VanDerWaalsContact O-N 3.12Å; E132-V137 HydrophobicContact CB-CG2 4.04Å
133E66.7Low73.4Confident177 Ų177103 Ų10383%0.82753%0.526SS*.THydrogen-bonded Turntrans-52.4116.9178-72.9-170.1158.400111.7T131T131-E133 PolarHBondContact O-N 2.84Å
134G71.1Confident72.9Confident89 Ų8999.1 Ų99.192%0.91851%0.508SS*.THydrogen-bonded Turntrans98.1-6.7175.900000115.7E132E132-G134 PolarHBondContact O-N 2.82Å; E132-G134 VanDerWaalsContact O-N 3.08Å
135Q72.1Confident72.3Confident143 Ų14399.4 Ų99.467%0.66850%0.501SS*.SBendtrans-100.1149.3172.4-63.7-167.9-1.300112E132 V137E132-Q135 HydrophobicContact CB-CB 4.45Å; E132-Q135 PolarHBondContact O-N 3.4Å; E132-Q135 VanDerWaalsContact O-N 3.12Å; Q135-V137 PolarHBondContact O-N 3.47Å
136L73.1Confident71.7Confident170 Ų17096.8 Ų96.889%0.8949%0.49SS*.  trans-77.191.3178.6-113.6152.5000109.2C138L136-C138 PolarHBondContact O-N 3.14Å
137V71.1Confident70.6Confident31 Ų3197.2 Ų97.219%0.18849%0.492CS..PPolyproline II helixtrans-78.2119.1177.5-173.70000109.8F125 E132 Q135F125-V137 HydrophobicContact CD2-CG1 4.42Å; F125-V137 HydrophobicContact CE2-CG1 3.86Å; E132-V137 HydrophobicContact CB-CG2 4.04Å; Q135-V137 PolarHBondContact O-N 3.47Å
138C74.7Confident69.1Low103 Ų10391.1 Ų91.170%0.69648%0.478SS*.PPolyproline II helixtrans-101.7142.3177-65.70000110.4L136 N140L136-C138 PolarHBondContact O-N 3.14Å; C138-N140 PolarHBondContact O-N 3.19Å
139W70.4Confident67.2Low87 Ų8796 Ų9633%0.3350%0.499SS..PPolyproline II helixtrans-69.8129.3177.417540000110L24 E121 F125 Y141 F144L24-W139 HydrophobicContact CD1-CH2 4.01Å; L24-W139 HydrophobicContact CD2-CH2 4.06Å; L24-W139 HydrophobicContact CD2-CZ3 3.95Å; E121-W139 HydrophobicContact CG-CZ2 4.2Å; E121-W139 PolarHBondContact OE1-NE1 3.39Å; F125-W139 HydrophobicContact CD2-CB 3.95Å; F125-W139 HydrophobicContact CE2-CB 3.87Å; F125-W139 VanDerWaalsContact CE2-N 3.33Å; F125-W139 HydrophobicContact CZ-CB 4.44Å; W139-Y141 WeakPolarHBondContact O-CD1 3.45Å; W139-Y141 PolarHBondContact O-N 3.22Å; W139-F144 HydrophobicContact CH2-CD1 4.22Å; W139-F144 HydrophobicContact CH2-CG 4.49Å; W139-F144 HydrophobicContact CZ2-CB 3.72Å; W139-F144 AromaticContact CZ2-CD1 3.83Å; W139-F144 HydrophobicContact CZ2-CD1 3.83Å; W139-F144 HydrophobicContact CZ2-CD2 4.33Å; W139-F144 AromaticContact CZ2-CG 3.68Å; W139-F144 HydrophobicContact CZ2-CG 3.68Å
140N73.7Confident65.2Low78 Ų7894.9 Ų94.942%0.41750%0.502SS..  trans-77.467.8172.8-173.311.3000111.1C138 W142 D143C138-N140 PolarHBondContact O-N 3.19Å; N140-W142 PolarHBondContact O-N 2.95Å; N140-W142 VanDerWaalsContact O-N 3.15Å; N140-W142 PolarHBondContact OD1-N 3.01Å; N140-D143 PolarHBondContact ND2-OD2 3.02Å; N140-D143 PolarHBondContact O-N 3.3Å; N140-D143 PolarHBondContact OD1-N 2.84Å
141Y68.5Low62.9Low54 Ų5496.6 Ų96.621%0.21252%0.515CS..THydrogen-bonded Turntrans-67.8-9.4176.567.8-92000112.7M20 R27 W139M20-Y141 HydrophobicContact CB-CE2 4.47Å; M20-Y141 WeakPolarHBondContact CE-OH 3.32Å; M20-Y141 HydrophobicContact SD-CE2 4.22Å; M20-Y141 PolarHBondContact SD-OH 2.79Å; R27-Y141 PolarHBondContact NH1-O 2.88Å; R27-Y141 PolarHBondContact NH2-O 2.91Å; W139-Y141 WeakPolarHBondContact O-CD1 3.45Å; W139-Y141 PolarHBondContact O-N 3.22Å
142W67.1Low60.8Low137 Ų13798.5 Ų98.552%0.51952%0.52SS..THydrogen-bonded Turntrans-75.9-28.6179.6-72.999.5000113M20 R27 N140M20-W142 HydrophobicContact SD-CH2 4.29Å; M20-W142 HydrophobicContact SD-CZ2 3.72Å; R27-W142 PolarHBondContact NH1-O 2.79Å; N140-W142 PolarHBondContact O-N 2.95Å; N140-W142 VanDerWaalsContact O-N 3.15Å; N140-W142 PolarHBondContact OD1-N 3.01Å
143D69.9Low59.4Low121 Ų121100.8 Ų100.865%0.64753%0.534SS*.THydrogen-bonded Turntrans-100.8-8.1176.7-64.4-24.9000112.5N140 E145N140-D143 PolarHBondContact ND2-OD2 3.02Å; N140-D143 PolarHBondContact O-N 3.3Å; N140-D143 PolarHBondContact OD1-N 2.84Å; D143-E145 PolarHBondContact O-N 3.04Å
144F67.2Low57.8Low7 Ų7102.8 Ų102.83%0.03154%0.535CS..  trans-66.9111.8179-177.2-109.1000111.4L24 R27 I28 A117 L118 E121 W139L24-F144 HydrophobicContact CD1-CD1 4.38Å; R27-F144 PolarHBondContact NH1-O 3.36Å; I28-F144 HydrophobicContact CD1-CE1 4.44Å; I28-F144 HydrophobicContact CG1-CD1 4.22Å; I28-F144 HydrophobicContact CG1-CE1 3.95Å; A117-F144 HydrophobicContact CB-CZ 4.44Å; L118-F144 HydrophobicContact CD2-CE1 3.71Å; L118-F144 HydrophobicContact CD2-CZ 3.61Å; L118-F144 HydrophobicContact CG-CZ 4.21Å; E121-F144 HydrophobicContact CB-CD2 3.91Å; E121-F144 HydrophobicContact CB-CE2 3.6Å; E121-F144 HydrophobicContact CB-CZ 4.48Å; E121-F144 VanDerWaalsContact CD-CD2 3.45Å; E121-F144 HydrophobicContact CG-CD2 3.46Å; E121-F144 VanDerWaalsContact CG-CD2 3.46Å; E121-F144 HydrophobicContact CG-CE2 3.7Å; E121-F144 HydrophobicContact CG-CG 4.29Å; W139-F144 HydrophobicContact CH2-CD1 4.22Å; W139-F144 HydrophobicContact CH2-CG 4.49Å; W139-F144 HydrophobicContact CZ2-CB 3.72Å; W139-F144 AromaticContact CZ2-CD1 3.83Å; W139-F144 HydrophobicContact CZ2-CD1 3.83Å; W139-F144 HydrophobicContact CZ2-CD2 4.33Å; W139-F144 AromaticContact CZ2-CG 3.68Å; W139-F144 HydrophobicContact CZ2-CG 3.68Å
145E65.1Low56.1Low50 Ų50106.1 Ų106.123%0.23453%0.531CS..  trans-137139.4173.2-66.8-178.1159.500107.3R27 D143 H147 A160R27-E145 HydrophobicContact CB-CG 4.29Å; R27-E145 HydrophobicContact CG-CG 4.25Å; D143-E145 PolarHBondContact O-N 3.04Å; E145-H147 VanDerWaalsContact C-N 3.28Å; E145-H147 WeakPolarHBondContact CB-CE1 3.19Å; E145-H147 WeakPolarHBondContact CB-ND1 3.26Å; E145-H147 PolarHBondContact O-N 2.7Å; E145-H147 IonicContact OE2-CE1 3.55Å; E145-H147 PolarHBondContact OE2-CE1 3.47Å; E145-H147 IonicContact OE2-ND1 3.48Å; E145-H147 IonicContact OE2-NE2 2.78Å; E145-A160 WeakPolarHBondContact OE1-CB 3.28Å
146V61.9Low54.3Low4 Ų4102 Ų1022%0.02452%0.521CS..  trans-67.792.8173.8-176.30000106.9L114 A117 V162 F163 Y164L114-V146 HydrophobicContact CD1-CG2 3.77Å; A117-V146 HydrophobicContact CB-CB 4.45Å; A117-V146 HydrophobicContact CB-CG1 3.95Å; A117-V146 HydrophobicContact CB-CG2 4.31Å; V146-V162 HydrophobicContact CB-CG1 3.9Å; V146-V162 HydrophobicContact CG2-CG1 4.25Å; V146-F163 CarbonylContact O-C 3.56Å; V146-F163 WeakPolarHBondContact O-CA 3.34Å; V146-F163 PolarHBondContact O-N 2.87Å; V146-F163 VanDerWaalsContact O-N 3.13Å; V146-Y164 HydrophobicContact CG1-CD1 4.28Å; V146-Y164 HydrophobicContact CG1-CE1 4.17Å
147H56.2Low52.3Low87 Ų87102 Ų10240%0.40352%0.521SS..BIsolated β-bridgetrans-109.1122.5176.7-83.861.3000109E145 F163E145-H147 VanDerWaalsContact C-N 3.28Å; E145-H147 WeakPolarHBondContact CB-CE1 3.19Å; E145-H147 WeakPolarHBondContact CB-ND1 3.26Å; E145-H147 PolarHBondContact O-N 2.7Å; E145-H147 IonicContact OE2-CE1 3.55Å; E145-H147 PolarHBondContact OE2-CE1 3.47Å; E145-H147 IonicContact OE2-ND1 3.48Å; E145-H147 IonicContact OE2-NE2 2.78Å; H147-F163 AromaticContact CE1-CD2 3.76Å; H147-F163 AromaticContact NE2-CD2 3.41Å; H147-F163 WeakPolarHBondContact NE2-CD2 3.24Å; H147-F163 AromaticContact NE2-CE2 3.99Å
148G48Very low50.7Low28 Ų28106.8 Ų106.829%0.28955%0.55SS..  trans-72.5137.6159.900000110.1I150 F163G148-I150 PolarHBondContact O-N 3.29Å; G148-F163 PolarHBondContact N-O 2.91Å
149D35.3Very low48.8Very low160 Ų160108.1 Ų108.186%0.85655%0.549SS*.SBendtrans-56.595-177.6-69.2-44.3000113.1
150I32.1Very low47.2Very low116 Ų116107.3 Ų107.360%0.59556%0.562SS**  trans-137.7113.8157.7-61-177000110.4G148 L152 E168G148-I150 PolarHBondContact O-N 3.29Å; I150-L152 PolarHBondContact O-N 3.4Å; I150-L152 VanDerWaalsContact O-N 3.16Å; I150-E168 WeakPolarHBondContact CD1-OE1 3.45Å
151L31.6Very low46Very low168 Ų168106.8 Ų106.888%0.8856%0.556SS**  trans-62.198.8176.4-151.7113.8000111.1
152L34.6Very low45Very low156 Ų156105.6 Ų105.682%0.81756%0.555SS**  trans-164.878.6158.4-100.9165.7000109.9I150 Y154I150-L152 PolarHBondContact O-N 3.4Å; I150-L152 VanDerWaalsContact O-N 3.16Å; L152-Y154 VanDerWaalsContact C-N 3.27Å; L152-Y154 PolarHBondContact O-N 3.06Å; L152-Y154 VanDerWaalsContact O-N 3.08Å
153I36.4Very low44.3Very low150 Ų150103.8 Ų103.877%0.76955%0.551SS**THydrogen-bonded Turntrans-69.42.7-168.5-89.6164.3000116.5
154Y34.3Very low43.7Very low220 Ų22098.3 Ų98.386%0.86352%0.521SS*.THydrogen-bonded Turntrans-104.24.8-169.3-99.3-85.3000118.6L152L152-Y154 VanDerWaalsContact C-N 3.27Å; L152-Y154 PolarHBondContact O-N 3.06Å; L152-Y154 VanDerWaalsContact O-N 3.08Å
155I34.3Very low43.2Very low159 Ų159103.4 Ų103.482%0.81555%0.545SS*.SBendtrans-126.7-8177.3-59.4177.5000113.9L157I155-L157 VanDerWaalsContact C-N 3.26Å; I155-L157 PolarHBondContact O-N 3.45Å
156A35Very low42.8Very low57 Ų57102.3 Ų102.347%0.47154%0.543SS..G310 helixtrans-67.7-17.9-176.200000115.2V158 L159A156-V158 PolarHBondContact O-N 2.79Å; A156-L159 PolarHBondContact O-N 2.99Å
157L31.5Very low42.6Very low170 Ų170102.8 Ų102.889%0.8955%0.545SS*.G310 helixtrans-70.62.2-166.6-91.4165.9000117.3I155I155-L157 VanDerWaalsContact C-N 3.26Å; I155-L157 PolarHBondContact O-N 3.45Å
158V36.9Very low42.7Very low131 Ų131104.5 Ų104.579%0.79455%0.553SS**G310 helixtrans-127.1-7.2177.3-176.70000114A156A156-V158 PolarHBondContact O-N 2.79Å
159L35.6Very low43.3Very low130 Ų130112.9 Ų112.968%0.68158%0.582SS**  trans-141.870.7-179.6-65.2173.1000110.1A156 Q161A156-L159 PolarHBondContact O-N 2.99Å; L159-Q161 PolarHBondContact O-N 2.95Å
160A36.5Very low44.8Very low71 Ų71106.6 Ų106.659%0.58755%0.547SS*.  trans-63.381.7170.800000110.1E145E145-A160 WeakPolarHBondContact OE1-CB 3.28Å
161Q47.7Very low46.5Very low66 Ų66102.2 Ų102.231%0.30853%0.525SS..  trans-94139.5166.6-80.2180-36.200108L159 F163L159-Q161 PolarHBondContact O-N 2.95Å; Q161-F163 HydrophobicContact CB-CZ 4.41Å; Q161-F163 WeakPolarHBondContact O-CD2 3.45Å; Q161-F163 WeakPolarHBondContact O-CE2 3.42Å; Q161-F163 PolarHBondContact O-N 2.68Å; Q161-F163 VanDerWaalsContact O-N 3.17Å
162V47.8Very low48.3Very low29 Ų2995.6 Ų95.618%0.17649%0.492CS..  trans-66.2114177-172.90000110Q26 R27 V146 Y164Q26-V162 WeakPolarHBondContact O-CG2 3.15Å; R27-V162 VanDerWaalsContact C-CG2 3.49Å; R27-V162 WeakPolarHBondContact O-CG1 3.36Å; R27-V162 VanDerWaalsContact O-CG2 3.23Å; R27-V162 WeakPolarHBondContact O-CG2 3.48Å; V146-V162 HydrophobicContact CB-CG1 3.9Å; V146-V162 HydrophobicContact CG2-CG1 4.25Å; V162-Y164 HydrophobicContact CB-CE2 4.31Å; V162-Y164 HydrophobicContact CG1-CD2 3.81Å; V162-Y164 HydrophobicContact CG1-CE2 3.41Å; V162-Y164 VanDerWaalsContact CG1-CE2 3.41Å; V162-Y164 PolarHBondContact O-N 2.71Å
163F53.4Low49.8Very low99 Ų9988.7 Ų88.743%0.43446%0.456SS..BIsolated β-bridgetrans-94.182.1-172.7-72.6-77.9000112.9V146 H147 G148 Q161 Q165V146-F163 CarbonylContact O-C 3.56Å; V146-F163 WeakPolarHBondContact O-CA 3.34Å; V146-F163 PolarHBondContact O-N 2.87Å; V146-F163 VanDerWaalsContact O-N 3.13Å; H147-F163 AromaticContact CE1-CD2 3.76Å; H147-F163 AromaticContact NE2-CD2 3.41Å; H147-F163 WeakPolarHBondContact NE2-CD2 3.24Å; H147-F163 AromaticContact NE2-CE2 3.99Å; G148-F163 PolarHBondContact N-O 2.91Å; Q161-F163 HydrophobicContact CB-CZ 4.41Å; Q161-F163 WeakPolarHBondContact O-CD2 3.45Å; Q161-F163 WeakPolarHBondContact O-CE2 3.42Å; Q161-F163 PolarHBondContact O-N 2.68Å; Q161-F163 VanDerWaalsContact O-N 3.17Å; F163-Q165 PolarHBondContact O-N 2.85Å
164Y55.9Low51.1Low7 Ų784.3 Ų84.33%0.02744%0.435CS..  trans-70.5124.5167.5-75.8-90.6000111.3I28 P30 T110 D113 L114 V146 V162 S166 L167 E168I28-Y164 PolarHBondContact O-OH 3.28Å; P30-Y164 HydrophobicContact CB-CD2 4.06Å; P30-Y164 HydrophobicContact CB-CE2 3.73Å; P30-Y164 WeakPolarHBondContact CD-OH 3.35Å; P30-Y164 HydrophobicContact CG-CD2 4.49Å; P30-Y164 HydrophobicContact CG-CE2 3.87Å; T110-Y164 HydrophobicContact CG2-CD1 4.47Å; T110-Y164 WeakPolarHBondContact O-CE1 3.34Å; D113-Y164 HydrophobicContact CB-CD1 3.87Å; D113-Y164 HydrophobicContact CB-CE1 4.36Å; L114-Y164 HydrophobicContact CB-CE1 3.98Å; V146-Y164 HydrophobicContact CG1-CD1 4.28Å; V146-Y164 HydrophobicContact CG1-CE1 4.17Å; V162-Y164 HydrophobicContact CB-CE2 4.31Å; V162-Y164 HydrophobicContact CG1-CD2 3.81Å; V162-Y164 HydrophobicContact CG1-CE2 3.41Å; V162-Y164 VanDerWaalsContact CG1-CE2 3.41Å; V162-Y164 PolarHBondContact O-N 2.71Å; Y164-S166 VanDerWaalsContact C-N 3.27Å; Y164-S166 PolarHBondContact O-N 3.25Å; Y164-L167 HydrophobicContact CD2-CD1 3.88Å; Y164-L167 HydrophobicContact CG-CD1 3.83Å; Y164-L167 HydrophobicContact CG-CG 4.38Å; Y164-L167 CarbonylContact O-C 3.15Å; Y164-L167 WeakPolarHBondContact O-CA 3.35Å; Y164-L167 PolarHBondContact O-N 2.9Å; Y164-E168 PolarHBondContact O-N 3.47Å; Y164-E168 VanDerWaalsContact O-N 3.12Å
165Q57.2Low52.6Low113 Ų11375.3 Ų75.353%0.52840%0.401SS..G310 helixtrans-59.9-38.5177-167.3169.820.300111.8D113 F163 L167 E168D113-Q165 PolarHBondContact OD2-N 3.09Å; F163-Q165 PolarHBondContact O-N 2.85Å; Q165-L167 PolarHBondContact O-N 2.89Å; Q165-E168 VanDerWaalsContact O-CB 3.29Å; Q165-E168 WeakPolarHBondContact O-CB 3.15Å; Q165-E168 PolarHBondContact O-N 3.4Å
166S55.9Low54.1Low28 Ų2869.7 Ų69.720%0.19637%0.372CS..G310 helixtrans-63.7-16.4172.753.60000114.7T110 D113 Y164T110-S166 WeakPolarHBondContact CA-OG 3.31Å; T110-S166 WeakPolarHBondContact CG2-OG 3.49Å; T110-S166 PolarHBondContact N-OG 3.45Å; D113-S166 WeakPolarHBondContact OD2-CB 3.34Å; D113-S166 PolarHBondContact OD2-N 3.18Å; D113-S166 PolarHBondContact OD2-OG 2.59Å; Y164-S166 VanDerWaalsContact C-N 3.27Å; Y164-S166 PolarHBondContact O-N 3.25Å
167L57.7Low55.9Low14 Ų1468.2 Ų68.27%0.07335%0.354CS..G310 helixtrans-107.7-0.3178.5-56.6174.5000112.9P30 T110 Y164 Q165 K169 E170 Y177P30-L167 HydrophobicContact CB-CD1 4.36Å; T110-L167 HydrophobicContact CG2-CD1 4.14Å; T110-L167 HydrophobicContact CG2-CD2 3.94Å; T110-L167 HydrophobicContact CG2-CG 3.91Å; Y164-L167 HydrophobicContact CD2-CD1 3.88Å; Y164-L167 HydrophobicContact CG-CD1 3.83Å; Y164-L167 HydrophobicContact CG-CG 4.38Å; Y164-L167 CarbonylContact O-C 3.15Å; Y164-L167 WeakPolarHBondContact O-CA 3.35Å; Y164-L167 PolarHBondContact O-N 2.9Å; Q165-L167 PolarHBondContact O-N 2.89Å; L167-K169 PolarHBondContact O-N 3.14Å; L167-K169 VanDerWaalsContact O-N 3.09Å; L167-E170 HydrophobicContact CD2-CG 4.31Å; L167-E170 WeakPolarHBondContact O-CB 3.22Å; L167-E170 PolarHBondContact O-N 3.26Å; L167-Y177 VanDerWaalsContact CD1-OH 3.31Å; L167-Y177 WeakPolarHBondContact CD1-OH 3.39Å
168E58.4Low57.9Low123 Ų12360.1 Ų60.158%0.57531%0.312SS*.THydrogen-bonded Turntrans-55.6-33.2-175-170.3-173.1172.300112.9I150 Y164 Q165 E170I150-E168 WeakPolarHBondContact CD1-OE1 3.45Å; Y164-E168 PolarHBondContact O-N 3.47Å; Y164-E168 VanDerWaalsContact O-N 3.12Å; Q165-E168 VanDerWaalsContact O-CB 3.29Å; Q165-E168 WeakPolarHBondContact O-CB 3.15Å; Q165-E168 PolarHBondContact O-N 3.4Å; E168-E170 VanDerWaalsContact C-N 3.35Å
169K61.8Low59.6Low204 Ų20459.2 Ų59.289%0.88729%0.294SS*.THydrogen-bonded Turntrans-82.7-10.1178.6-61.5-179.2-176.9175.50113.9L167L167-K169 PolarHBondContact O-N 3.14Å; L167-K169 VanDerWaalsContact O-N 3.09Å
170E65.5Low61.1Low27 Ų2754.8 Ų54.813%0.12627%0.271CS..SBendtrans-89.4133.7-176.8-60.9-84-169.500110.5K102 Q106 L167 E168 C172 Y177 R179K102-E170 WeakPolarHBondContact CE-OE1 3.44Å; K102-E170 IonicContact NZ-OE1 3.2Å; K102-E170 PolarHBondContact NZ-OE1 2.93Å; Q106-E170 PolarHBondContact NE2-OE1 2.76Å; L167-E170 HydrophobicContact CD2-CG 4.31Å; L167-E170 WeakPolarHBondContact O-CB 3.22Å; L167-E170 PolarHBondContact O-N 3.26Å; E168-E170 VanDerWaalsContact C-N 3.35Å; E170-C172 PolarHBondContact O-N 3.06Å; E170-Y177 HydrophobicContact CB-CD1 3.7Å; E170-Y177 HydrophobicContact CB-CE1 3.91Å; E170-R179 IonicContact OE1-CZ 2.89Å; E170-R179 IonicContact OE1-NE 3.2Å; E170-R179 PolarHBondContact OE1-NE 3.32Å; E170-R179 IonicContact OE1-NH2 4Å; E170-R179 PolarHBondContact OE1-NH2 3.33Å; E170-R179 IonicContact OE2-CZ 3.64Å; E170-R179 IonicContact OE2-NE 2.84Å; E170-R179 PolarHBondContact OE2-NE 3.04Å; E170-R179 IonicContact OE2-NH2 2.79Å
171I68.8Low62.8Low24 Ų2451.6 Ų51.612%0.12324%0.244CC..  trans-90.1113.8178.9-58.3152.9000108.6V173 Y177 L178 R207 V216 L219I171-V173 HydrophobicContact CG2-CG2 4.28Å; I171-Y177 CarbonylContact O-C 3.5Å; I171-Y177 WeakPolarHBondContact O-CA 3.5Å; I171-L178 HydrophobicContact CB-CD1 4.3Å; I171-L178 HydrophobicContact CB-CG 4.4Å; I171-L178 HydrophobicContact CG2-CD1 3.6Å; I171-L178 HydrophobicContact CG2-CG 3.99Å; I171-L178 PolarHBondContact O-N 3.45Å; I171-R207 HydrophobicContact CG2-CG 4.5Å; I171-V216 HydrophobicContact CD1-CB 3.89Å; I171-V216 HydrophobicContact CD1-CG1 3.61Å; I171-V216 HydrophobicContact CD1-CG2 3.77Å; I171-V216 HydrophobicContact CG1-CG1 4.32Å; I171-V216 HydrophobicContact CG1-CG2 4.49Å; I171-L219 HydrophobicContact CB-CD2 4.45Å; I171-L219 HydrophobicContact CD1-CB 4.49Å; I171-L219 HydrophobicContact CD1-CD2 3.58Å
172C68.2Low64Low29 Ų2949.9 Ų49.920%0.19624%0.238CC..EExtended strand (participates in β ladder)trans-106.6126.7173.8-165.10000109.8E170 H176 Y177E170-C172 PolarHBondContact O-N 3.06Å; C172-H176 WeakPolarHBondContact CA-O 3.26Å; C172-Y177 HydrophobicContact CB-CD1 3.99Å; C172-Y177 HydrophobicContact CB-CE1 3.92Å
173V67Low64.7Low11 Ų1149.7 Ų49.77%0.06724%0.242CC..EExtended strand (participates in β ladder)trans-128.7128.4171.1-177.40000107.4I171 N175 H176 L178 F200 D203 V204I171-V173 HydrophobicContact CG2-CG2 4.28Å; V173-N175 PolarHBondContact O-N 3.36Å; V173-N175 VanDerWaalsContact O-N 3.09Å; V173-H176 PolarHBondContact N-O 3.17Å; V173-H176 PolarHBondContact O-N 3.2Å; V173-L178 HydrophobicContact CB-CD2 4.27Å; V173-L178 HydrophobicContact CG2-CD1 4.15Å; V173-L178 HydrophobicContact CG2-CD2 4.26Å; V173-L178 HydrophobicContact CG2-CG 4.28Å; V173-F200 HydrophobicContact CB-CE2 4.11Å; V173-F200 HydrophobicContact CG1-CD2 4.21Å; V173-F200 HydrophobicContact CG1-CE2 4.18Å; V173-F200 WeakPolarHBondContact O-CE2 3.48Å; V173-D203 HydrophobicContact CG1-CB 3.54Å; V173-V204 HydrophobicContact CB-CG2 3.99Å; V173-V204 HydrophobicContact CG1-CG2 3.75Å; V173-V204 HydrophobicContact CG2-CG2 4.19Å
174D63.9Low64.7Low59 Ų5954.2 Ų54.232%0.31626%0.264SS..THydrogen-bonded Turntrans43.745.9-178.1-162.827.4000112.5H176 F200D174-H176 PolarHBondContact O-CE1 3.15Å; D174-H176 PolarHBondContact O-N 2.8Å; D174-H176 PolarHBondContact O-ND1 3.5Å; D174-F200 HydrophobicContact CB-CD2 3.84Å
175N65.4Low64.2Low30 Ų3063.4 Ų63.416%0.1631%0.307CS..THydrogen-bonded Turntrans728.7177.6-51.7-24.2000116.6E31 L35 V173E31-N175 HydrophobicContact CB-CB 4.34Å; E31-N175 HydrophobicContact CG-CB 4.31Å; E31-N175 VanDerWaalsContact CG-CG 3.5Å; E31-N175 WeakPolarHBondContact CG-OD1 3.23Å; E31-N175 VanDerWaalsContact OE1-CG 3.28Å; E31-N175 PolarHBondContact OE1-ND2 3.07Å; E31-N175 PolarHBondContact OE1-OD1 2.92Å; E31-N175 VanDerWaalsContact OE1-OD1 3.11Å; E31-N175 PolarHBondContact OE2-OD1 2.78Å; L35-N175 HydrophobicContact CD1-CB 3.51Å; V173-N175 PolarHBondContact O-N 3.36Å; V173-N175 VanDerWaalsContact O-N 3.09Å
176H66.7Low63.6Low41 Ų4160.5 Ų60.519%0.1930%0.299CS..EExtended strand (participates in β ladder)trans-109.4120.3176.5-61.483.2000110.3C172 V173 D174 L178 F181 F200C172-H176 WeakPolarHBondContact CA-O 3.26Å; V173-H176 PolarHBondContact N-O 3.17Å; V173-H176 PolarHBondContact O-N 3.2Å; D174-H176 PolarHBondContact O-CE1 3.15Å; D174-H176 PolarHBondContact O-N 2.8Å; D174-H176 PolarHBondContact O-ND1 3.5Å; H176-L178 PolarHBondContact O-N 3.38Å; H176-F181 HydrophobicContact CB-CD2 4.47Å; H176-F200 HydrophobicContact CB-CE2 4.03Å; H176-F200 HydrophobicContact CB-CZ 4.34Å
177Y71.2Confident63.4Low27 Ų2761.1 Ų61.111%0.10630%0.304CS..EExtended strand (participates in β ladder)trans-71.1113.5168.5-66.4-71.8000109.5W97 L167 E170 I171 C172 R179 L180 F181W97-Y177 AromaticContact CH2-CE2 3.98Å; W97-Y177 HydrophobicContact CH2-CE2 3.98Å; W97-Y177 HydrophobicContact CZ2-CE2 4.18Å; L167-Y177 VanDerWaalsContact CD1-OH 3.31Å; L167-Y177 WeakPolarHBondContact CD1-OH 3.39Å; E170-Y177 HydrophobicContact CB-CD1 3.7Å; E170-Y177 HydrophobicContact CB-CE1 3.91Å; I171-Y177 CarbonylContact O-C 3.5Å; I171-Y177 WeakPolarHBondContact O-CA 3.5Å; C172-Y177 HydrophobicContact CB-CD1 3.99Å; C172-Y177 HydrophobicContact CB-CE1 3.92Å; Y177-R179 PolarHBondContact O-N 3.15Å; Y177-R179 VanDerWaalsContact O-N 3.13Å; Y177-L180 HydrophobicContact CD2-CD1 4.23Å; Y177-L180 HydrophobicContact CG-CD1 4.49Å; Y177-L180 PolarHBondContact O-N 3.4Å; Y177-F181 PolarHBondContact O-N 2.88Å
178L74.8Confident63.4Low0 Ų062.5 Ų62.50%032%0.315CS..Hα-helixtrans-59.3-32.8-172-62.3-171.7000112.8I171 V173 H176 L180 F181 V182 F200 V204 L219 A223I171-L178 HydrophobicContact CB-CD1 4.3Å; I171-L178 HydrophobicContact CB-CG 4.4Å; I171-L178 HydrophobicContact CG2-CD1 3.6Å; I171-L178 HydrophobicContact CG2-CG 3.99Å; I171-L178 PolarHBondContact O-N 3.45Å; V173-L178 HydrophobicContact CB-CD2 4.27Å; V173-L178 HydrophobicContact CG2-CD1 4.15Å; V173-L178 HydrophobicContact CG2-CD2 4.26Å; V173-L178 HydrophobicContact CG2-CG 4.28Å; H176-L178 PolarHBondContact O-N 3.38Å; L178-L180 VanDerWaalsContact C-N 3.29Å; L178-L180 PolarHBondContact O-N 3.04Å; L178-F181 PolarHBondContact O-N 3.35Å; L178-V182 WeakPolarHBondContact O-CB 3.24Å; L178-V182 VanDerWaalsContact O-CG2 3.28Å; L178-V182 WeakPolarHBondContact O-CG2 3.14Å; L178-V182 PolarHBondContact O-N 2.92Å; L178-F200 HydrophobicContact CD2-CE2 4.32Å; L178-F200 HydrophobicContact CD2-CZ 3.93Å; L178-V204 HydrophobicContact CD1-CG1 4.32Å; L178-V204 HydrophobicContact CD2-CG2 3.99Å; L178-L219 HydrophobicContact CB-CD1 4.46Å; L178-L219 HydrophobicContact CB-CD2 3.65Å; L178-L219 HydrophobicContact CB-CG 3.75Å; L178-A223 HydrophobicContact CD1-CB 4.44Å; L178-A223 HydrophobicContact CD2-CB 3.86Å
179R72.6Confident63.7Low112 Ų11262 Ų6242%0.42332%0.316SS..Hα-helixtrans-59.6-40.2175.7-174.1171.868.91160.8112.3E170 Y177 G183 L219E170-R179 IonicContact OE1-CZ 2.89Å; E170-R179 IonicContact OE1-NE 3.2Å; E170-R179 PolarHBondContact OE1-NE 3.32Å; E170-R179 IonicContact OE1-NH2 4Å; E170-R179 PolarHBondContact OE1-NH2 3.33Å; E170-R179 IonicContact OE2-CZ 3.64Å; E170-R179 IonicContact OE2-NE 2.84Å; E170-R179 PolarHBondContact OE2-NE 3.04Å; E170-R179 IonicContact OE2-NH2 2.79Å; Y177-R179 PolarHBondContact O-N 3.15Å; Y177-R179 VanDerWaalsContact O-N 3.13Å; R179-G183 PolarHBondContact O-N 3.27Å; R179-L219 HydrophobicContact CB-CD2 4.42Å
180L66.6Low63.9Low36 Ų3653.9 Ų53.919%0.18828%0.284CS..Hα-helixtrans-80.4-33.3179.1-56.8-178.3000111.7R101 Y177 L178 V182 S186R101-L180 HydrophobicContact CB-CD1 3.81Å; R101-L180 HydrophobicContact CG-CD1 4.14Å; R101-L180 WeakPolarHBondContact O-CD2 3.49Å; Y177-L180 HydrophobicContact CD2-CD1 4.23Å; Y177-L180 HydrophobicContact CG-CD1 4.49Å; Y177-L180 PolarHBondContact O-N 3.4Å; L178-L180 VanDerWaalsContact C-N 3.29Å; L178-L180 PolarHBondContact O-N 3.04Å; L180-V182 VanDerWaalsContact C-N 3.32Å; L180-V182 PolarHBondContact O-N 3.13Å; L180-S186 PolarHBondContact O-OG 3.37Å
181F71.2Confident63.9Low4 Ų452.6 Ų52.62%0.01828%0.278CS..Hα-helixtrans-62.8-38.8176-174-95000112.2H176 Y177 L178 V190 A191 L194 F200 A223 V226 T227H176-F181 HydrophobicContact CB-CD2 4.47Å; Y177-F181 PolarHBondContact O-N 2.88Å; L178-F181 PolarHBondContact O-N 3.35Å; F181-V190 HydrophobicContact CD2-CG1 4.02Å; F181-V190 HydrophobicContact CE2-CG1 4.36Å; F181-A191 HydrophobicContact CE2-CB 4.13Å; F181-A191 HydrophobicContact CZ-CB 3.89Å; F181-L194 HydrophobicContact CE2-CD1 4.08Å; F181-L194 HydrophobicContact CE2-CD2 4.21Å; F181-L194 HydrophobicContact CE2-CG 4.36Å; F181-L194 HydrophobicContact CZ-CD1 4.04Å; F181-F200 HydrophobicContact CD1-CE1 4.46Å; F181-F200 HydrophobicContact CD1-CZ 4.44Å; F181-F200 HydrophobicContact CD2-CE1 4.5Å; F181-F200 HydrophobicContact CD2-CZ 4.29Å; F181-F200 AromaticContact CE1-CE1 3.91Å; F181-F200 HydrophobicContact CE1-CE1 3.91Å; F181-F200 HydrophobicContact CE1-CZ 4.32Å; F181-F200 AromaticContact CE2-CE1 3.95Å; F181-F200 HydrophobicContact CE2-CE1 3.95Å; F181-F200 HydrophobicContact CE2-CZ 4.17Å; F181-F200 HydrophobicContact CG-CZ 4.43Å; F181-F200 AromaticContact CZ-CE1 3.62Å; F181-F200 HydrophobicContact CZ-CE1 3.62Å; F181-F200 HydrophobicContact CZ-CZ 4.19Å; F181-A223 HydrophobicContact CD1-CB 3.93Å; F181-A223 HydrophobicContact CE1-CB 4.26Å; F181-V226 HydrophobicContact CE1-CB 3.98Å; F181-V226 HydrophobicContact CE1-CG1 3.81Å; F181-V226 HydrophobicContact CZ-CG1 4.18Å; F181-T227 WeakPolarHBondContact CE1-OG1 3.1Å; F181-T227 WeakPolarHBondContact CZ-OG1 3.28Å
182V73.9Confident64.2Low30 Ų3056.8 Ų56.818%0.18230%0.295CS..Hα-helixtrans-85.6-18.8-177.1174.10000113.5L178 L180 L219 R222 A223L178-V182 WeakPolarHBondContact O-CB 3.24Å; L178-V182 VanDerWaalsContact O-CG2 3.28Å; L178-V182 WeakPolarHBondContact O-CG2 3.14Å; L178-V182 PolarHBondContact O-N 2.92Å; L180-V182 VanDerWaalsContact C-N 3.32Å; L180-V182 PolarHBondContact O-N 3.13Å; V182-L219 HydrophobicContact CB-CD1 4.43Å; V182-L219 HydrophobicContact CG2-CD1 4.25Å; V182-R222 HydrophobicContact CB-CB 4.4Å; V182-R222 HydrophobicContact CG1-CB 3.57Å; V182-R222 HydrophobicContact CG1-CG 4.3Å; V182-R222 HydrophobicContact CG2-CB 3.82Å; V182-A223 HydrophobicContact CG2-CB 3.92Å
183G63.2Low64.4Low25 Ų2559.4 Ų59.426%0.25831%0.314SS..  trans-55.2141.1-171.300000115.1R179 Q185 S186 S187R179-G183 PolarHBondContact O-N 3.27Å; G183-Q185 VanDerWaalsContact C-N 3.28Å; G183-Q185 PolarHBondContact O-N 2.9Å; G183-Q185 VanDerWaalsContact O-N 3.14Å; G183-S186 PolarHBondContact O-N 3.42Å; G183-S186 PolarHBondContact O-OG 2.97Å; G183-S187 PolarHBondContact O-N 3.24Å
184E53Low64.9Low194 Ų19459.5 Ų59.591%0.90731%0.314SS*.THydrogen-bonded Turntrans-58.7-27.4-169-70.7179.4164.400115.5
185Q46Very low65.4Low200 Ų20063.8 Ų63.894%0.93534%0.342SS*.THydrogen-bonded Turntrans-96.4-10.3-176.8-62.7-168.99.600113.9G183G183-Q185 VanDerWaalsContact C-N 3.28Å; G183-Q185 PolarHBondContact O-N 2.9Å; G183-Q185 VanDerWaalsContact O-N 3.14Å
186S43.4Very low66.3Low52 Ų5265.7 Ų65.736%0.36435%0.352SS..THydrogen-bonded Turntrans-126.7-2.4-166.447.60000114.5L180 G183 S188L180-S186 PolarHBondContact O-OG 3.37Å; G183-S186 PolarHBondContact O-N 3.42Å; G183-S186 PolarHBondContact O-OG 2.97Å; S186-S188 VanDerWaalsContact C-N 3.29Å; S186-S188 PolarHBondContact O-N 3.19Å
187S51.3Low67.3Low41 Ų4163.9 Ų63.929%0.28734%0.344SS..Hα-helixtrans-62-29.2-173.848.40000114.2G183 A191G183-S187 PolarHBondContact O-N 3.24Å; S187-A191 WeakPolarHBondContact O-CB 3.38Å
188S58.9Low68.3Low43 Ų4367.4 Ų67.430%0.30136%0.36SS..Hα-helixtrans-67.7-55.3-177.9160.50000113.1S186 K192S186-S188 VanDerWaalsContact C-N 3.29Å; S186-S188 PolarHBondContact O-N 3.19Å; S188-K192 VanDerWaalsContact O-CB 3.31Å; S188-K192 WeakPolarHBondContact O-CB 3.5Å; S188-K192 WeakPolarHBondContact O-CD 3.39Å; S188-K192 WeakPolarHBondContact O-CG 3.42Å; S188-K192 PolarHBondContact O-N 2.97Å; S188-K192 PolarHBondContact OG-NZ 3.35Å
189D64.5Low68.9Low112 Ų11272 Ų7260%0.59938%0.382SS*.Hα-helixtrans-84.4-35.3-159.4-61.2-10.7000112.1S193D189-S193 WeakPolarHBondContact O-CB 3.42Å; D189-S193 PolarHBondContact O-N 3.39Å; D189-S193 PolarHBondContact O-OG 3.47Å
190V65.8Low69.6Low35 Ų3566.7 Ų66.721%0.21236%0.361CS..Hα-helixtrans-72.8-45177.7-177.30000110.5F181 K192 S193F181-V190 HydrophobicContact CD2-CG1 4.02Å; F181-V190 HydrophobicContact CE2-CG1 4.36Å; V190-K192 VanDerWaalsContact C-N 3.28Å; V190-K192 PolarHBondContact O-N 3.16Å; V190-S193 WeakPolarHBondContact CA-OG 3.48Å; V190-S193 PolarHBondContact O-N 3.35Å; V190-S193 PolarHBondContact O-OG 2.96Å; V190-S193 VanDerWaalsContact O-OG 3.14Å
191A66.1Low70.9Confident0 Ų065 Ų650%035%0.352CS..Hα-helixtrans-61.8-40178.500000111F181 S187 S193 L194 V226 E230 H231F181-A191 HydrophobicContact CE2-CB 4.13Å; F181-A191 HydrophobicContact CZ-CB 3.89Å; S187-A191 WeakPolarHBondContact O-CB 3.38Å; A191-S193 VanDerWaalsContact C-N 3.32Å; A191-S193 PolarHBondContact O-N 2.94Å; A191-L194 WeakPolarHBondContact O-CG 3.45Å; A191-V226 HydrophobicContact CB-CG1 3.66Å; A191-E230 HydrophobicContact CB-CG 4.02Å; A191-H231 PolarHBondContact O-CD2 3.47Å; A191-H231 PolarHBondContact O-NE2 2.87Å
192K73.8Confident71.9Confident112 Ų11267.5 Ų67.549%0.48736%0.362SS..Hα-helixtrans-67-28.2177.6-73.5169.6-170.1167.70114.3S188 V190 E230S188-K192 VanDerWaalsContact O-CB 3.31Å; S188-K192 WeakPolarHBondContact O-CB 3.5Å; S188-K192 WeakPolarHBondContact O-CD 3.39Å; S188-K192 WeakPolarHBondContact O-CG 3.42Å; S188-K192 PolarHBondContact O-N 2.97Å; S188-K192 PolarHBondContact OG-NZ 3.35Å; V190-K192 VanDerWaalsContact C-N 3.28Å; V190-K192 PolarHBondContact O-N 3.16Å; K192-E230 WeakPolarHBondContact CE-OE2 3.46Å; K192-E230 VanDerWaalsContact CG-OE2 3.28Å; K192-E230 WeakPolarHBondContact CG-OE2 3.38Å
193S73Confident72.6Confident84 Ų8468.8 Ų68.859%0.58737%0.368SS*.THydrogen-bonded Turntrans-91.811.3-175.952.80000114.6D189 V190 A191 T195D189-S193 WeakPolarHBondContact O-CB 3.42Å; D189-S193 PolarHBondContact O-N 3.39Å; D189-S193 PolarHBondContact O-OG 3.47Å; V190-S193 WeakPolarHBondContact CA-OG 3.48Å; V190-S193 PolarHBondContact O-N 3.35Å; V190-S193 PolarHBondContact O-OG 2.96Å; V190-S193 VanDerWaalsContact O-OG 3.14Å; A191-S193 VanDerWaalsContact C-N 3.32Å; A191-S193 PolarHBondContact O-N 2.94Å; S193-T195 PolarHBondContact O-N 2.95Å
194L76.7Confident73.8Confident13 Ų1367.6 Ų67.67%0.06836%0.356CS..  trans-61.8122.8175.7-71.6174.2000111.8F181 A191 P197 F200 T227F181-L194 HydrophobicContact CE2-CD1 4.08Å; F181-L194 HydrophobicContact CE2-CD2 4.21Å; F181-L194 HydrophobicContact CE2-CG 4.36Å; F181-L194 HydrophobicContact CZ-CD1 4.04Å; A191-L194 WeakPolarHBondContact O-CG 3.45Å; L194-P197 HydrophobicContact CB-CB 4.16Å; L194-P197 HydrophobicContact CD1-CB 4.31Å; L194-F200 HydrophobicContact CD1-CD1 3.76Å; L194-F200 HydrophobicContact CD1-CE1 4.2Å; L194-F200 HydrophobicContact CD1-CG 4.45Å; L194-F200 HydrophobicContact CD2-CD1 4.27Å; L194-F200 HydrophobicContact CD2-CG 4.34Å; L194-T227 HydrophobicContact CD1-CG2 3.98Å
195T75.9Confident75.8Confident148 Ų14859.3 Ų59.391%0.90832%0.316SS*.SBendtrans-70.1-41.5-179.9-46.30000112.6S193S193-T195 PolarHBondContact O-N 2.95Å
196N84.7Confident77.8Confident70 Ų7055.2 Ų55.237%0.37430%0.297SS..SBendtrans-13274.6178.5-167.4-5.5000111K198 Q199 F200N196-K198 PolarHBondContact O-N 2.76Å; N196-Q199 HydrophobicContact CB-CB 4.23Å; N196-Q199 WeakPolarHBondContact ND2-CB 3.36Å; N196-Q199 PolarHBondContact ND2-OE1 2.76Å; N196-Q199 PolarHBondContact O-N 2.94Å; N196-Q199 PolarHBondContact OD1-N 3.29Å; N196-F200 PolarHBondContact O-N 2.87Å; N196-F200 VanDerWaalsContact O-N 3.1Å
197P87.6Confident79.9Confident3 Ų358.3 Ų58.32%0.01930%0.301CS..Hα-helixtrans-64.3-28.6-170.524.4-33.5000113.1L194 F201 H231 Q234L194-P197 HydrophobicContact CB-CB 4.16Å; L194-P197 HydrophobicContact CD1-CB 4.31Å; P197-F201 WeakPolarHBondContact O-CB 3.22Å; P197-F201 PolarHBondContact O-N 2.84Å; P197-H231 HydrophobicContact CB-CB 3.69Å; P197-H231 VanDerWaalsContact CB-CG 3.5Å; P197-H231 HydrophobicContact CG-CB 4.05Å; P197-Q234 HydrophobicContact CG-CB 4.3Å
198K91.1Very high81.8Confident101 Ų10156.4 Ų56.444%0.43929%0.287SS..Hα-helixtrans-68-46.4177.2-173.5174.3-179.3175.80111.5N196 F201 Y202N196-K198 PolarHBondContact O-N 2.76Å; K198-F201 PolarHBondContact O-N 3.2Å; K198-Y202 HydrophobicContact CD-CE2 4.5Å; K198-Y202 HydrophobicContact CG-CD2 3.97Å; K198-Y202 HydrophobicContact CG-CE2 3.83Å; K198-Y202 WeakPolarHBondContact O-CD2 3.48Å; K198-Y202 PolarHBondContact O-N 3.35Å; K198-Y202 VanDerWaalsContact O-N 3.14Å
199Q88.4Confident83.3Confident98 Ų9858.8 Ų58.846%0.45830%0.296SS..Hα-helixtrans-62.6-50.6177.1-179.3175.8-4.800110.6N196 F201 Y202 D203N196-Q199 HydrophobicContact CB-CB 4.23Å; N196-Q199 WeakPolarHBondContact ND2-CB 3.36Å; N196-Q199 PolarHBondContact ND2-OE1 2.76Å; N196-Q199 PolarHBondContact O-N 2.94Å; N196-Q199 PolarHBondContact OD1-N 3.29Å; Q199-F201 VanDerWaalsContact C-N 3.28Å; Q199-F201 PolarHBondContact O-N 3.42Å; Q199-Y202 PolarHBondContact O-N 3.26Å; Q199-Y202 VanDerWaalsContact O-N 3.07Å; Q199-D203 WeakPolarHBondContact CG-OD2 3.3Å; Q199-D203 VanDerWaalsContact O-CG 3.28Å; Q199-D203 PolarHBondContact O-N 3.33Å
200F87.4Confident84.4Confident0 Ų057.4 Ų57.40%030%0.295CS..Hα-helixtrans-52.7-46.8176.1178-108.5000112.3V173 D174 H176 L178 F181 L194 N196 Y202 D203 V204 T227V173-F200 HydrophobicContact CB-CE2 4.11Å; V173-F200 HydrophobicContact CG1-CD2 4.21Å; V173-F200 HydrophobicContact CG1-CE2 4.18Å; V173-F200 WeakPolarHBondContact O-CE2 3.48Å; D174-F200 HydrophobicContact CB-CD2 3.84Å; H176-F200 HydrophobicContact CB-CE2 4.03Å; H176-F200 HydrophobicContact CB-CZ 4.34Å; L178-F200 HydrophobicContact CD2-CE2 4.32Å; L178-F200 HydrophobicContact CD2-CZ 3.93Å; F181-F200 HydrophobicContact CD1-CE1 4.46Å; F181-F200 HydrophobicContact CD1-CZ 4.44Å; F181-F200 HydrophobicContact CD2-CE1 4.5Å; F181-F200 HydrophobicContact CD2-CZ 4.29Å; F181-F200 AromaticContact CE1-CE1 3.91Å; F181-F200 HydrophobicContact CE1-CE1 3.91Å; F181-F200 HydrophobicContact CE1-CZ 4.32Å; F181-F200 AromaticContact CE2-CE1 3.95Å; F181-F200 HydrophobicContact CE2-CE1 3.95Å; F181-F200 HydrophobicContact CE2-CZ 4.17Å; F181-F200 HydrophobicContact CG-CZ 4.43Å; F181-F200 AromaticContact CZ-CE1 3.62Å; F181-F200 HydrophobicContact CZ-CE1 3.62Å; F181-F200 HydrophobicContact CZ-CZ 4.19Å; L194-F200 HydrophobicContact CD1-CD1 3.76Å; L194-F200 HydrophobicContact CD1-CE1 4.2Å; L194-F200 HydrophobicContact CD1-CG 4.45Å; L194-F200 HydrophobicContact CD2-CD1 4.27Å; L194-F200 HydrophobicContact CD2-CG 4.34Å; N196-F200 PolarHBondContact O-N 2.87Å; N196-F200 VanDerWaalsContact O-N 3.1Å; F200-Y202 PolarHBondContact O-N 2.99Å; F200-D203 PolarHBondContact O-N 3.43Å; F200-V204 HydrophobicContact CD1-CG2 4.39Å; F200-V204 HydrophobicContact CD2-CG2 4.17Å; F200-V204 HydrophobicContact CE1-CG2 4.01Å; F200-V204 HydrophobicContact CE2-CG2 3.79Å; F200-V204 HydrophobicContact CG-CG2 4.48Å; F200-V204 HydrophobicContact CZ-CG2 3.71Å; F200-V204 VanDerWaalsContact O-CG2 3.3Å; F200-V204 WeakPolarHBondContact O-CG2 3.33Å; F200-V204 PolarHBondContact O-N 3.3Å; F200-T227 HydrophobicContact CD1-CG2 3.81Å; F200-T227 HydrophobicContact CE1-CG2 4.32Å; F200-T227 VanDerWaalsContact CE1-OG1 3.28Å; F200-T227 WeakPolarHBondContact CE1-OG1 3.07Å
201F92.3Very high85.4Confident0 Ų056.8 Ų56.80%029%0.292CS..Hα-helixtrans-57.5-46.8177.9177.3-90.6000112.4P197 K198 Q199 Y205 L224 T227 Y228 I235 F238 F263P197-F201 WeakPolarHBondContact O-CB 3.22Å; P197-F201 PolarHBondContact O-N 2.84Å; K198-F201 PolarHBondContact O-N 3.2Å; Q199-F201 VanDerWaalsContact C-N 3.28Å; Q199-F201 PolarHBondContact O-N 3.42Å; F201-Y205 WeakPolarHBondContact O-CB 3.18Å; F201-Y205 PolarHBondContact O-N 3.45Å; F201-L224 HydrophobicContact CD2-CD2 3.57Å; F201-L224 HydrophobicContact CE2-CB 4.25Å; F201-L224 HydrophobicContact CE2-CD2 3.66Å; F201-L224 HydrophobicContact CG-CD2 4.05Å; F201-L224 HydrophobicContact CZ-CD2 4.2Å; F201-L224 WeakPolarHBondContact O-CD2 3.35Å; F201-T227 HydrophobicContact CB-CG2 4.11Å; F201-T227 HydrophobicContact CD2-CG2 4.35Å; F201-Y228 HydrophobicContact CD2-CD2 4.38Å; F201-Y228 AromaticContact CE2-CD2 3.73Å; F201-Y228 HydrophobicContact CE2-CD2 3.73Å; F201-Y228 HydrophobicContact CE2-CG 4.3Å; F201-Y228 AromaticContact CZ-CD2 3.99Å; F201-Y228 HydrophobicContact CZ-CD2 3.99Å; F201-I235 HydrophobicContact CB-CD1 4Å; F201-I235 HydrophobicContact CB-CG1 4.41Å; F201-I235 HydrophobicContact CD1-CG2 3.94Å; F201-I235 HydrophobicContact CD2-CD1 3.89Å; F201-I235 HydrophobicContact CE1-CG2 4.13Å; F201-I235 HydrophobicContact CG-CD1 3.97Å; F201-I235 HydrophobicContact CG-CG2 4.22Å; F201-F238 AromaticContact CE1-CD2 3.58Å; F201-F238 HydrophobicContact CE1-CD2 3.58Å; F201-F238 AromaticContact CE1-CE2 3.71Å; F201-F238 HydrophobicContact CE1-CE2 3.71Å; F201-F238 HydrophobicContact CE1-CG 4.41Å; F201-F238 AromaticContact CZ-CD2 3.94Å; F201-F238 HydrophobicContact CZ-CD2 3.94Å; F201-F238 HydrophobicContact CZ-CE2 4.15Å; F201-F238 HydrophobicContact CZ-CG 4.37Å; F201-F263 AromaticContact CE2-CE2 3.87Å; F201-F263 HydrophobicContact CE2-CE2 3.87Å; F201-F263 AromaticContact CE2-CZ 3.74Å; F201-F263 HydrophobicContact CE2-CZ 3.74Å; F201-F263 HydrophobicContact CZ-CE2 4.21Å; F201-F263 AromaticContact CZ-CZ 3.69Å; F201-F263 HydrophobicContact CZ-CZ 3.69Å
202Y92.4Very high86.3Confident57 Ų5763.5 Ų63.522%0.22433%0.333CS..Hα-helixtrans-71.5-34.2179-77.2-71.6000112.6K198 Q199 F200 Y205 H206 F238K198-Y202 HydrophobicContact CD-CE2 4.5Å; K198-Y202 HydrophobicContact CG-CD2 3.97Å; K198-Y202 HydrophobicContact CG-CE2 3.83Å; K198-Y202 WeakPolarHBondContact O-CD2 3.48Å; K198-Y202 PolarHBondContact O-N 3.35Å; K198-Y202 VanDerWaalsContact O-N 3.14Å; Q199-Y202 PolarHBondContact O-N 3.26Å; Q199-Y202 VanDerWaalsContact O-N 3.07Å; F200-Y202 PolarHBondContact O-N 2.99Å; Y202-Y205 CarbonylContact O-C 3.48Å; Y202-Y205 PolarHBondContact O-N 2.76Å; Y202-H206 WeakPolarHBondContact O-CB 3.18Å; Y202-H206 PolarHBondContact O-CD2 2.66Å; Y202-H206 PolarHBondContact O-N 2.93Å; Y202-F238 HydrophobicContact CE1-CD2 4.32Å; Y202-F238 HydrophobicContact CE1-CE2 4.1Å
203D88.3Confident86.8Confident56 Ų5660.6 Ų60.630%0.29933%0.327SS..Hα-helixtrans-64.7-42.2176.1-67.1-20.1000111.4V173 Q199 F200 Y205 H206 R207V173-D203 HydrophobicContact CG1-CB 3.54Å; Q199-D203 WeakPolarHBondContact CG-OD2 3.3Å; Q199-D203 VanDerWaalsContact O-CG 3.28Å; Q199-D203 PolarHBondContact O-N 3.33Å; F200-D203 PolarHBondContact O-N 3.43Å; D203-Y205 VanDerWaalsContact C-N 3.32Å; D203-H206 PolarHBondContact O-N 3.36Å; D203-R207 PolarHBondContact O-N 3.48Å
204V90.1Very high87.4Confident0 Ų059.6 Ų59.60%032%0.315CS..Hα-helixtrans-65.2-38.7173.3178.40000110.8V173 L178 F200 R207 Y208 C220 A223 L224V173-V204 HydrophobicContact CB-CG2 3.99Å; V173-V204 HydrophobicContact CG1-CG2 3.75Å; V173-V204 HydrophobicContact CG2-CG2 4.19Å; L178-V204 HydrophobicContact CD1-CG1 4.32Å; L178-V204 HydrophobicContact CD2-CG2 3.99Å; F200-V204 HydrophobicContact CD1-CG2 4.39Å; F200-V204 HydrophobicContact CD2-CG2 4.17Å; F200-V204 HydrophobicContact CE1-CG2 4.01Å; F200-V204 HydrophobicContact CE2-CG2 3.79Å; F200-V204 HydrophobicContact CG-CG2 4.48Å; F200-V204 HydrophobicContact CZ-CG2 3.71Å; F200-V204 VanDerWaalsContact O-CG2 3.3Å; F200-V204 WeakPolarHBondContact O-CG2 3.33Å; F200-V204 PolarHBondContact O-N 3.3Å; V204-R207 PolarHBondContact O-N 3.26Å; V204-Y208 PolarHBondContact O-N 2.85Å; V204-C220 HydrophobicContact CG1-CB 3.85Å; V204-A223 HydrophobicContact CG1-CB 4.09Å; V204-L224 HydrophobicContact CB-CD2 3.94Å; V204-L224 HydrophobicContact CB-CG 4.35Å; V204-L224 HydrophobicContact CG1-CD1 4.49Å; V204-L224 HydrophobicContact CG1-CD2 3.92Å; V204-L224 HydrophobicContact CG1-CG 3.76Å
205Y93.2Very high87.8Confident20 Ų2065.6 Ų65.68%0.07834%0.343CS..Hα-helixtrans-67.1-41.1177-178.5-115000112.3F201 Y202 D203 R207 Y208 L209 L224 F238 L244F201-Y205 WeakPolarHBondContact O-CB 3.18Å; F201-Y205 PolarHBondContact O-N 3.45Å; Y202-Y205 CarbonylContact O-C 3.48Å; Y202-Y205 PolarHBondContact O-N 2.76Å; D203-Y205 VanDerWaalsContact C-N 3.32Å; Y205-R207 VanDerWaalsContact C-N 3.31Å; Y205-R207 PolarHBondContact O-N 3.14Å; Y205-Y208 HydrophobicContact CD2-CD1 4.15Å; Y205-Y208 HydrophobicContact CE2-CD1 4.05Å; Y205-Y208 WeakPolarHBondContact O-CB 3.37Å; Y205-Y208 PolarHBondContact O-N 3.27Å; Y205-L209 HydrophobicContact CD1-CD1 4.08Å; Y205-L209 HydrophobicContact CE1-CD1 3.54Å; Y205-L209 HydrophobicContact CE1-CG 4.2Å; Y205-L209 HydrophobicContact CE2-CD1 4.42Å; Y205-L209 HydrophobicContact CE2-CD2 4.21Å; Y205-L209 HydrophobicContact CE2-CG 4.21Å; Y205-L209 WeakPolarHBondContact O-CG 3.35Å; Y205-L209 PolarHBondContact O-N 3.07Å; Y205-L224 HydrophobicContact CD2-CD1 4.1Å; Y205-F238 HydrophobicContact CD1-CE2 4.19Å; Y205-F238 HydrophobicContact CD1-CZ 4.1Å; Y205-F238 AromaticContact CD2-CZ 3.96Å; Y205-F238 HydrophobicContact CD2-CZ 3.96Å; Y205-F238 HydrophobicContact CE1-CE2 4.18Å; Y205-F238 AromaticContact CE1-CZ 3.79Å; Y205-F238 HydrophobicContact CE1-CZ 3.79Å; Y205-F238 HydrophobicContact CE2-CE1 4.42Å; Y205-F238 AromaticContact CE2-CZ 3.67Å; Y205-F238 HydrophobicContact CE2-CZ 3.67Å; Y205-F238 HydrophobicContact CG-CE2 4.39Å; Y205-F238 HydrophobicContact CG-CZ 4.17Å; Y205-F238 AromaticContact CZ-CZ 3.57Å; Y205-L244 HydrophobicContact CE2-CD2 4.46Å
206H89.3Confident88.3Confident115 Ų11559.9 Ų59.953%0.53231%0.308SS..Hα-helixtrans-60.9-42.1172.5-75.5-57.7000111.3Y202 D203 Y208 L209 S210Y202-H206 WeakPolarHBondContact O-CB 3.18Å; Y202-H206 PolarHBondContact O-CD2 2.66Å; Y202-H206 PolarHBondContact O-N 2.93Å; D203-H206 PolarHBondContact O-N 3.36Å; H206-Y208 PolarHBondContact O-N 3.2Å; H206-L209 PolarHBondContact O-N 3.03Å; H206-S210 WeakPolarHBondContact O-CB 3.32Å; H206-S210 PolarHBondContact O-N 3.31Å; H206-S210 PolarHBondContact O-OG 3.38Å
207R87.1Confident88.6Confident117 Ų11758.7 Ų58.744%0.44230%0.298SS..Hα-helixtrans-60.8-44.4173.8-177.157.661.7140.95.1111.8I171 D203 V204 Y205 L209 S210 S211I171-R207 HydrophobicContact CG2-CG 4.5Å; D203-R207 PolarHBondContact O-N 3.48Å; V204-R207 PolarHBondContact O-N 3.26Å; Y205-R207 VanDerWaalsContact C-N 3.31Å; Y205-R207 PolarHBondContact O-N 3.14Å; R207-L209 VanDerWaalsContact C-N 3.33Å; R207-L209 PolarHBondContact O-N 3.43Å; R207-S210 WeakPolarHBondContact CA-OG 3.33Å; R207-S210 PolarHBondContact O-N 2.96Å; R207-S210 PolarHBondContact O-OG 2.79Å; R207-S211 WeakPolarHBondContact O-CB 3.26Å; R207-S211 PolarHBondContact O-N 2.68Å; R207-S211 VanDerWaalsContact O-N 3.09Å
208Y91.4Very high88.7Confident1 Ų158.9 Ų58.90%0.00430%0.299CS..Hα-helixtrans-54.7-47.9175167.5-101.8000111.9V204 Y205 H206 S211 R217 C220 L221 L244 L247 E256V204-Y208 PolarHBondContact O-N 2.85Å; Y205-Y208 HydrophobicContact CD2-CD1 4.15Å; Y205-Y208 HydrophobicContact CE2-CD1 4.05Å; Y205-Y208 WeakPolarHBondContact O-CB 3.37Å; Y205-Y208 PolarHBondContact O-N 3.27Å; H206-Y208 PolarHBondContact O-N 3.2Å; Y208-S211 PolarHBondContact O-N 2.82Å; Y208-R217 HydrophobicContact CD2-CB 3.8Å; Y208-R217 HydrophobicContact CD2-CG 3.98Å; Y208-R217 HydrophobicContact CE2-CB 3.75Å; Y208-R217 HydrophobicContact CE2-CG 4.04Å; Y208-R217 PolarHBondContact OH-NH2 2.81Å; Y208-C220 HydrophobicContact CD2-CB 4.4Å; Y208-L221 HydrophobicContact CD2-CD1 4.33Å; Y208-L221 HydrophobicContact CD2-CD2 4.17Å; Y208-L221 HydrophobicContact CD2-CG 3.84Å; Y208-L221 HydrophobicContact CE2-CD1 3.68Å; Y208-L221 HydrophobicContact CE2-CD2 3.93Å; Y208-L221 HydrophobicContact CE2-CG 3.65Å; Y208-L244 HydrophobicContact CE1-CD2 4.46Å; Y208-L247 HydrophobicContact CE1-CD1 4.16Å; Y208-E256 WeakPolarHBondContact CE2-OE1 3.4Å; Y208-E256 PolarHBondContact OH-OE1 3.01Å
209L90.1Very high88.6Confident93 Ų9355 Ų5549%0.48728%0.283SS..Hα-helixtrans-67.5-34.7-179.8-66.8177.9000113.1Y205 H206 R207Y205-L209 HydrophobicContact CD1-CD1 4.08Å; Y205-L209 HydrophobicContact CE1-CD1 3.54Å; Y205-L209 HydrophobicContact CE1-CG 4.2Å; Y205-L209 HydrophobicContact CE2-CD1 4.42Å; Y205-L209 HydrophobicContact CE2-CD2 4.21Å; Y205-L209 HydrophobicContact CE2-CG 4.21Å; Y205-L209 WeakPolarHBondContact O-CG 3.35Å; Y205-L209 PolarHBondContact O-N 3.07Å; H206-L209 PolarHBondContact O-N 3.03Å; R207-L209 VanDerWaalsContact C-N 3.33Å; R207-L209 PolarHBondContact O-N 3.43Å
210S88.1Confident88.7Confident83 Ų8350.3 Ų50.358%0.5826%0.261SS*.Hα-helixtrans-78.4-17.5-179.567.50000114.2H206 R207H206-S210 WeakPolarHBondContact O-CB 3.32Å; H206-S210 PolarHBondContact O-N 3.31Å; H206-S210 PolarHBondContact O-OG 3.38Å; R207-S210 WeakPolarHBondContact CA-OG 3.33Å; R207-S210 PolarHBondContact O-N 2.96Å; R207-S210 PolarHBondContact O-OG 2.79Å
211S86.2Confident89.1Confident21 Ų2150.3 Ų50.315%0.14726%0.261CS..  trans-88.4131.9-171.7177.20000112.3R207 Y208 S213 V216 R217R207-S211 WeakPolarHBondContact O-CB 3.26Å; R207-S211 PolarHBondContact O-N 2.68Å; R207-S211 VanDerWaalsContact O-N 3.09Å; Y208-S211 PolarHBondContact O-N 2.82Å; S211-S213 PolarHBondContact OG-N 2.87Å; S211-S213 PolarHBondContact OG-O 3.45Å; S211-V216 VanDerWaalsContact OG-CB 3.29Å; S211-V216 WeakPolarHBondContact OG-CB 3.48Å; S211-V216 VanDerWaalsContact OG-CG1 3.27Å; S211-V216 WeakPolarHBondContact OG-CG1 3.24Å; S211-R217 VanDerWaalsContact O-CD 3.31Å; S211-R217 WeakPolarHBondContact O-CD 3.5Å
212T85Confident89Confident141 Ų14155 Ų5587%0.86528%0.279SS*.  trans-88.6-18.1170.154.20000113.2
213S85Confident88.9Confident52 Ų5252.3 Ų52.336%0.36427%0.268SS..  trans-81.4122-178.5173.10000111.9S211 H215 V216 R217S211-S213 PolarHBondContact OG-N 2.87Å; S211-S213 PolarHBondContact OG-O 3.45Å; S213-H215 VanDerWaalsContact C-N 3.25Å; S213-H215 PolarHBondContact O-N 3.46Å; S213-V216 PolarHBondContact O-N 2.81Å; S213-R217 WeakPolarHBondContact O-CG 3.43Å; S213-R217 PolarHBondContact O-N 2.9Å
214N85.6Confident89.2Confident62 Ų6249.7 Ų49.733%0.33225%0.254SS..Hα-helixtrans-57.8-37.3177.5-71.4-3.6000112.4R217 C218 D253N214-R217 PolarHBondContact O-N 3.38Å; N214-C218 WeakPolarHBondContact O-CB 3.22Å; N214-C218 PolarHBondContact O-N 3.31Å; N214-C218 PolarHBondContact O-SG 3.17Å; N214-D253 PolarHBondContact ND2-OD1 3.22Å
215H85.3Confident89.4Confident139 Ų13949.8 Ų49.864%0.64426%0.255SS*.Hα-helixtrans-61.8-48.1178-179.972.5000111.5S213 R217 C218 L219S213-H215 VanDerWaalsContact C-N 3.25Å; S213-H215 PolarHBondContact O-N 3.46Å; H215-R217 VanDerWaalsContact C-N 3.35Å; H215-C218 PolarHBondContact O-N 2.87Å; H215-L219 WeakPolarHBondContact O-CB 3.41Å; H215-L219 PolarHBondContact O-N 2.75Å
216V85.6Confident89.3Confident28 Ų2850 Ų5017%0.1726%0.258CS..Hα-helixtrans-63-43.7177.9174.80000110.5I171 S211 S213 L219 C220I171-V216 HydrophobicContact CD1-CB 3.89Å; I171-V216 HydrophobicContact CD1-CG1 3.61Å; I171-V216 HydrophobicContact CD1-CG2 3.77Å; I171-V216 HydrophobicContact CG1-CG1 4.32Å; I171-V216 HydrophobicContact CG1-CG2 4.49Å; S211-V216 VanDerWaalsContact OG-CB 3.29Å; S211-V216 WeakPolarHBondContact OG-CB 3.48Å; S211-V216 VanDerWaalsContact OG-CG1 3.27Å; S211-V216 WeakPolarHBondContact OG-CG1 3.24Å; S213-V216 PolarHBondContact O-N 2.81Å; V216-L219 PolarHBondContact O-N 3.31Å; V216-C220 PolarHBondContact O-N 3.42Å; V216-C220 PolarHBondContact O-SG 3.46Å
217R90.9Very high89.4Confident46 Ų4644.5 Ų44.517%0.17423%0.233CC..Hα-helixtrans-60.9-47177.7-72178.586.1-154.5-1.9112Y208 S211 S213 N214 H215 L219 C220 L221 E256Y208-R217 HydrophobicContact CD2-CB 3.8Å; Y208-R217 HydrophobicContact CD2-CG 3.98Å; Y208-R217 HydrophobicContact CE2-CB 3.75Å; Y208-R217 HydrophobicContact CE2-CG 4.04Å; Y208-R217 PolarHBondContact OH-NH2 2.81Å; S211-R217 VanDerWaalsContact O-CD 3.31Å; S211-R217 WeakPolarHBondContact O-CD 3.5Å; S213-R217 WeakPolarHBondContact O-CG 3.43Å; S213-R217 PolarHBondContact O-N 2.9Å; N214-R217 PolarHBondContact O-N 3.38Å; H215-R217 VanDerWaalsContact C-N 3.35Å; R217-L219 VanDerWaalsContact C-N 3.32Å; R217-L219 PolarHBondContact O-N 3.29Å; R217-C220 PolarHBondContact O-N 3.38Å; R217-L221 WeakPolarHBondContact O-CG 3.17Å; R217-L221 PolarHBondContact O-N 2.82Å; R217-E256 VanDerWaalsContact CZ-CD 3.49Å; R217-E256 IonicContact CZ-OE1 3.19Å; R217-E256 IonicContact CZ-OE2 2.72Å; R217-E256 IonicContact NE-OE1 3.55Å; R217-E256 PolarHBondContact NE-OE1 2.76Å; R217-E256 IonicContact NH1-OE1 2.76Å; R217-E256 PolarHBondContact NH1-OE1 3.21Å; R217-E256 IonicContact NH1-OE2 3.71Å; R217-E256 PolarHBondContact NH1-OE2 2.97Å; R217-E256 IonicContact NH2-OE1 3.24Å; R217-E256 PolarHBondContact NH2-OE1 2.91Å; R217-E256 IonicContact NH2-OE2 3.73Å
218C90.7Very high89.8Confident6 Ų639 Ų394%0.04121%0.212CC..Hα-helixtrans-59-43.4174.9-71.20000111.7N214 H215 L221 R222 S255N214-C218 WeakPolarHBondContact O-CB 3.22Å; N214-C218 PolarHBondContact O-N 3.31Å; N214-C218 PolarHBondContact O-SG 3.17Å; H215-C218 PolarHBondContact O-N 2.87Å; C218-L221 PolarHBondContact O-N 3.48Å; C218-R222 VanDerWaalsContact O-CG 3.31Å; C218-R222 WeakPolarHBondContact O-CG 3.49Å; C218-R222 PolarHBondContact O-N 3.07Å; C218-S255 PolarHBondContact SG-OG 2.92Å
219L87.7Confident89.9Confident19 Ų1942.7 Ų42.710%0.09923%0.229CC..Hα-helixtrans-64.6-41.9178.8-170.766.1000111.8I171 L178 R179 V182 H215 V216 R217 R222 A223I171-L219 HydrophobicContact CB-CD2 4.45Å; I171-L219 HydrophobicContact CD1-CB 4.49Å; I171-L219 HydrophobicContact CD1-CD2 3.58Å; L178-L219 HydrophobicContact CB-CD1 4.46Å; L178-L219 HydrophobicContact CB-CD2 3.65Å; L178-L219 HydrophobicContact CB-CG 3.75Å; R179-L219 HydrophobicContact CB-CD2 4.42Å; V182-L219 HydrophobicContact CB-CD1 4.43Å; V182-L219 HydrophobicContact CG2-CD1 4.25Å; H215-L219 WeakPolarHBondContact O-CB 3.41Å; H215-L219 PolarHBondContact O-N 2.75Å; V216-L219 PolarHBondContact O-N 3.31Å; R217-L219 VanDerWaalsContact C-N 3.32Å; R217-L219 PolarHBondContact O-N 3.29Å; L219-R222 PolarHBondContact O-N 3.29Å; L219-A223 WeakPolarHBondContact O-CB 3.34Å; L219-A223 PolarHBondContact O-N 3.17Å
220C91.9Very high89.9Confident0 Ų042 Ų420%022%0.224CC..Hα-helixtrans-61.3-46.6174.4-63.90000111.2V204 Y208 V216 R217 R222 A223 L224V204-C220 HydrophobicContact CG1-CB 3.85Å; Y208-C220 HydrophobicContact CD2-CB 4.4Å; V216-C220 PolarHBondContact O-N 3.42Å; V216-C220 PolarHBondContact O-SG 3.46Å; R217-C220 PolarHBondContact O-N 3.38Å; C220-R222 VanDerWaalsContact C-N 3.31Å; C220-R222 PolarHBondContact O-N 3.49Å; C220-A223 PolarHBondContact O-N 2.75Å; C220-A223 VanDerWaalsContact O-N 3.15Å; C220-L224 WeakPolarHBondContact O-CB 3.34Å; C220-L224 VanDerWaalsContact O-CG 3.26Å; C220-L224 WeakPolarHBondContact O-CG 3.35Å; C220-L224 PolarHBondContact O-N 2.87Å
221L93.9Very high90.1Very high0 Ų038.9 Ų38.90%020%0.2CC..Hα-helixtrans-61-38178.3-73.3169.8000113Y208 R217 C218 L224 S225 E256 C259 L260 F263Y208-L221 HydrophobicContact CD2-CD1 4.33Å; Y208-L221 HydrophobicContact CD2-CD2 4.17Å; Y208-L221 HydrophobicContact CD2-CG 3.84Å; Y208-L221 HydrophobicContact CE2-CD1 3.68Å; Y208-L221 HydrophobicContact CE2-CD2 3.93Å; Y208-L221 HydrophobicContact CE2-CG 3.65Å; R217-L221 WeakPolarHBondContact O-CG 3.17Å; R217-L221 PolarHBondContact O-N 2.82Å; C218-L221 PolarHBondContact O-N 3.48Å; L221-L224 HydrophobicContact CD2-CD1 4.42Å; L221-L224 PolarHBondContact O-N 2.82Å; L221-S225 WeakPolarHBondContact O-CB 3.35Å; L221-S225 PolarHBondContact O-N 3.4Å; L221-S225 PolarHBondContact O-OG 2.8Å; L221-E256 HydrophobicContact CD1-CG 3.99Å; L221-C259 HydrophobicContact CB-CB 3.76Å; L221-C259 HydrophobicContact CD1-CB 3.74Å; L221-C259 HydrophobicContact CG-CB 4.43Å; L221-L260 HydrophobicContact CD1-CD2 3.87Å; L221-L260 HydrophobicContact CD1-CG 3.76Å; L221-L260 HydrophobicContact CD2-CD2 3.75Å; L221-L260 HydrophobicContact CD2-CG 4.49Å; L221-L260 HydrophobicContact CG-CD2 4.49Å; L221-F263 HydrophobicContact CD2-CD1 3.85Å
222R92Very high90.5Very high100 Ų10040.7 Ų40.738%0.37721%0.205SC..Hα-helixtrans-66.8-43.5174.2-68.5172.4-174.1-177.50.3111.4V182 C218 L219 C220 S225 V226V182-R222 HydrophobicContact CB-CB 4.4Å; V182-R222 HydrophobicContact CG1-CB 3.57Å; V182-R222 HydrophobicContact CG1-CG 4.3Å; V182-R222 HydrophobicContact CG2-CB 3.82Å; C218-R222 VanDerWaalsContact O-CG 3.31Å; C218-R222 WeakPolarHBondContact O-CG 3.49Å; C218-R222 PolarHBondContact O-N 3.07Å; L219-R222 PolarHBondContact O-N 3.29Å; C220-R222 VanDerWaalsContact C-N 3.31Å; C220-R222 PolarHBondContact O-N 3.49Å; R222-S225 WeakPolarHBondContact O-CB 3.36Å; R222-S225 PolarHBondContact O-N 2.85Å; R222-V226 WeakPolarHBondContact O-CG2 3.05Å; R222-V226 PolarHBondContact O-N 3.48Å
223A89.7Confident90.9Very high0 Ų039.3 Ų39.30%020%0.196CC..Hα-helixtrans-62.6-42.2175.500000111.8L178 F181 V182 V204 L219 C220 S225 V226 T227L178-A223 HydrophobicContact CD1-CB 4.44Å; L178-A223 HydrophobicContact CD2-CB 3.86Å; F181-A223 HydrophobicContact CD1-CB 3.93Å; F181-A223 HydrophobicContact CE1-CB 4.26Å; V182-A223 HydrophobicContact CG2-CB 3.92Å; V204-A223 HydrophobicContact CG1-CB 4.09Å; L219-A223 WeakPolarHBondContact O-CB 3.34Å; L219-A223 PolarHBondContact O-N 3.17Å; C220-A223 PolarHBondContact O-N 2.75Å; C220-A223 VanDerWaalsContact O-N 3.15Å; A223-S225 VanDerWaalsContact C-N 3.32Å; A223-S225 PolarHBondContact O-N 3.43Å; A223-V226 PolarHBondContact O-N 2.94Å; A223-T227 WeakPolarHBondContact O-CB 3.39Å; A223-T227 PolarHBondContact O-N 3.2Å; A223-T227 PolarHBondContact O-OG1 2.73Å
224L94.4Very high91.2Very high0 Ų042.5 Ų42.50%021%0.206CC..Hα-helixtrans-60.5-41.6173.4-70.2170.6000111.7F201 V204 Y205 C220 L221 T227 Y228 F263F201-L224 HydrophobicContact CD2-CD2 3.57Å; F201-L224 HydrophobicContact CE2-CB 4.25Å; F201-L224 HydrophobicContact CE2-CD2 3.66Å; F201-L224 HydrophobicContact CG-CD2 4.05Å; F201-L224 HydrophobicContact CZ-CD2 4.2Å; F201-L224 WeakPolarHBondContact O-CD2 3.35Å; V204-L224 HydrophobicContact CB-CD2 3.94Å; V204-L224 HydrophobicContact CB-CG 4.35Å; V204-L224 HydrophobicContact CG1-CD1 4.49Å; V204-L224 HydrophobicContact CG1-CD2 3.92Å; V204-L224 HydrophobicContact CG1-CG 3.76Å; Y205-L224 HydrophobicContact CD2-CD1 4.1Å; C220-L224 WeakPolarHBondContact O-CB 3.34Å; C220-L224 VanDerWaalsContact O-CG 3.26Å; C220-L224 WeakPolarHBondContact O-CG 3.35Å; C220-L224 PolarHBondContact O-N 2.87Å; L221-L224 HydrophobicContact CD2-CD1 4.42Å; L221-L224 PolarHBondContact O-N 2.82Å; L224-T227 PolarHBondContact O-N 3.37Å; L224-Y228 VanDerWaalsContact O-CB 3.24Å; L224-Y228 WeakPolarHBondContact O-CB 3.31Å; L224-Y228 PolarHBondContact O-N 2.72Å; L224-F263 HydrophobicContact CB-CD2 4.06Å; L224-F263 HydrophobicContact CB-CE1 4.15Å; L224-F263 HydrophobicContact CB-CE2 3.68Å; L224-F263 HydrophobicContact CB-CG 4.5Å; L224-F263 HydrophobicContact CB-CZ 3.72Å; L224-F263 HydrophobicContact CD1-CE1 3.95Å; L224-F263 HydrophobicContact CD1-CZ 4.14Å; L224-F263 HydrophobicContact CG-CZ 4.37Å
225S94.5Very high91.6Very high3 Ų339.9 Ų39.92%0.02119%0.191CC..Hα-helixtrans-60.9-49.4177.5-60.40000111.7L221 R222 A223 E229 F263L221-S225 WeakPolarHBondContact O-CB 3.35Å; L221-S225 PolarHBondContact O-N 3.4Å; L221-S225 PolarHBondContact O-OG 2.8Å; R222-S225 WeakPolarHBondContact O-CB 3.36Å; R222-S225 PolarHBondContact O-N 2.85Å; A223-S225 VanDerWaalsContact C-N 3.32Å; A223-S225 PolarHBondContact O-N 3.43Å; S225-E229 VanDerWaalsContact O-CB 3.32Å; S225-E229 WeakPolarHBondContact O-CB 3.48Å; S225-E229 PolarHBondContact O-N 3.14Å; S225-F263 WeakPolarHBondContact OG-CA 3.47Å; S225-F263 WeakPolarHBondContact OG-CB 3.43Å
226V91.3Very high92.1Very high24 Ų2434.1 Ų34.115%0.14517%0.17CC..Hα-helixtrans-63.5-46.3178.3172.20000110.9F181 A191 R222 A223 Y228 E229 E230F181-V226 HydrophobicContact CE1-CB 3.98Å; F181-V226 HydrophobicContact CE1-CG1 3.81Å; F181-V226 HydrophobicContact CZ-CG1 4.18Å; A191-V226 HydrophobicContact CB-CG1 3.66Å; R222-V226 WeakPolarHBondContact O-CG2 3.05Å; R222-V226 PolarHBondContact O-N 3.48Å; A223-V226 PolarHBondContact O-N 2.94Å; V226-Y228 PolarHBondContact O-N 2.69Å; V226-E229 PolarHBondContact O-N 2.76Å; V226-E230 PolarHBondContact O-N 3.4Å
227T91.5Very high92.5Very high0 Ų035.6 Ų35.60%019%0.185CC..Hα-helixtrans-62-44.9-179.8-520000111.5F181 L194 F200 F201 A223 L224 H231 I235F181-T227 WeakPolarHBondContact CE1-OG1 3.1Å; F181-T227 WeakPolarHBondContact CZ-OG1 3.28Å; L194-T227 HydrophobicContact CD1-CG2 3.98Å; F200-T227 HydrophobicContact CD1-CG2 3.81Å; F200-T227 HydrophobicContact CE1-CG2 4.32Å; F200-T227 VanDerWaalsContact CE1-OG1 3.28Å; F200-T227 WeakPolarHBondContact CE1-OG1 3.07Å; F201-T227 HydrophobicContact CB-CG2 4.11Å; F201-T227 HydrophobicContact CD2-CG2 4.35Å; A223-T227 WeakPolarHBondContact O-CB 3.39Å; A223-T227 PolarHBondContact O-N 3.2Å; A223-T227 PolarHBondContact O-OG1 2.73Å; L224-T227 PolarHBondContact O-N 3.37Å; T227-H231 WeakPolarHBondContact O-CB 3.35Å; T227-H231 PolarHBondContact O-N 3.36Å; T227-I235 HydrophobicContact CG2-CD1 4.16Å
228Y94.6Very high92.8Very high0 Ų033.5 Ų33.50%018%0.177CC..Hα-helixtrans-70-39-179.1-161.1-91.7000111.7F201 L224 V226 E230 H231 F232 I235 G236 K266 L267 N273F201-Y228 HydrophobicContact CD2-CD2 4.38Å; F201-Y228 AromaticContact CE2-CD2 3.73Å; F201-Y228 HydrophobicContact CE2-CD2 3.73Å; F201-Y228 HydrophobicContact CE2-CG 4.3Å; F201-Y228 AromaticContact CZ-CD2 3.99Å; F201-Y228 HydrophobicContact CZ-CD2 3.99Å; L224-Y228 VanDerWaalsContact O-CB 3.24Å; L224-Y228 WeakPolarHBondContact O-CB 3.31Å; L224-Y228 PolarHBondContact O-N 2.72Å; V226-Y228 PolarHBondContact O-N 2.69Å; Y228-E230 VanDerWaalsContact C-N 3.31Å; Y228-E230 PolarHBondContact O-N 2.84Å; Y228-H231 PolarHBondContact O-N 3.44Å; Y228-F232 HydrophobicContact CD1-CB 3.76Å; Y228-F232 HydrophobicContact CE1-CB 3.35Å; Y228-F232 HydrophobicContact CE2-CB 4.26Å; Y228-F232 HydrophobicContact CG-CB 4.35Å; Y228-F232 WeakPolarHBondContact O-CA 3.23Å; Y228-F232 WeakPolarHBondContact O-CB 3.47Å; Y228-F232 PolarHBondContact O-N 2.96Å; Y228-I235 HydrophobicContact CD2-CB 4.32Å; Y228-I235 HydrophobicContact CD2-CD1 3.92Å; Y228-I235 HydrophobicContact CD2-CG2 4.05Å; Y228-I235 HydrophobicContact CE2-CB 4.11Å; Y228-I235 HydrophobicContact CE2-CG2 3.82Å; Y228-G236 PolarHBondContact OH-O 3.4Å; Y228-K266 WeakPolarHBondContact CD1-O 3.42Å; Y228-L267 HydrophobicContact CD1-CD2 4Å; Y228-L267 HydrophobicContact CD2-CD2 3.83Å; Y228-L267 HydrophobicContact CE1-CD2 3.94Å; Y228-L267 HydrophobicContact CE2-CD2 3.78Å; Y228-L267 HydrophobicContact CG-CD2 3.96Å; Y228-N273 PolarHBondContact OH-ND2 3.11Å
229E93.8Very high92.8Very high80 Ų8038.1 Ų38.137%0.37421%0.209SC..Hα-helixtrans-56-45.3176.7-179.9159.7-141.700112.5S225 V226 K266S225-E229 VanDerWaalsContact O-CB 3.32Å; S225-E229 WeakPolarHBondContact O-CB 3.48Å; S225-E229 PolarHBondContact O-N 3.14Å; V226-E229 PolarHBondContact O-N 2.76Å; E229-K266 HydrophobicContact CB-CD 4.17Å; E229-K266 HydrophobicContact CG-CD 4.42Å; E229-K266 IonicContact OE1-NZ 3.4Å; E229-K266 PolarHBondContact OE1-NZ 3.19Å; E229-K266 WeakPolarHBondContact OE2-CE 3.43Å; E229-K266 IonicContact OE2-NZ 3.59Å; E229-K266 PolarHBondContact OE2-NZ 3.23Å
230E90.8Very high93Very high79 Ų7937.4 Ų37.437%0.36921%0.207SC..Hα-helixtrans-79.8-34.5-179.2-63.8-63.4141.400112.9A191 K192 V226 Y228A191-E230 HydrophobicContact CB-CG 4.02Å; K192-E230 WeakPolarHBondContact CE-OE2 3.46Å; K192-E230 VanDerWaalsContact CG-OE2 3.28Å; K192-E230 WeakPolarHBondContact CG-OE2 3.38Å; V226-E230 PolarHBondContact O-N 3.4Å; Y228-E230 VanDerWaalsContact C-N 3.31Å; Y228-E230 PolarHBondContact O-N 2.84Å
231H92Very high93.2Very high16 Ų1637.5 Ų37.57%0.07421%0.207CC..Hα-helixtrans-120.720.9-169.5-63.8-75000115.5A191 P197 T227 Y228 V233 Q234 I235A191-H231 PolarHBondContact O-CD2 3.47Å; A191-H231 PolarHBondContact O-NE2 2.87Å; P197-H231 HydrophobicContact CB-CB 3.69Å; P197-H231 VanDerWaalsContact CB-CG 3.5Å; P197-H231 HydrophobicContact CG-CB 4.05Å; T227-H231 WeakPolarHBondContact O-CB 3.35Å; T227-H231 PolarHBondContact O-N 3.36Å; Y228-H231 PolarHBondContact O-N 3.44Å; H231-V233 PolarHBondContact O-N 3.43Å; H231-Q234 PolarHBondContact O-N 3.24Å; H231-I235 HydrophobicContact CB-CD1 4Å; H231-I235 HydrophobicContact CB-CG1 4.32Å; H231-I235 WeakPolarHBondContact O-CG1 3.05Å; H231-I235 PolarHBondContact O-N 2.88Å
232F94.3Very high93.3Very high59 Ų5945.8 Ų45.826%0.25924%0.238SC..Hα-helixtrans-55.6-30.3-176.771.8-84.1000113.9Y228 G236 L269 L270Y228-F232 HydrophobicContact CD1-CB 3.76Å; Y228-F232 HydrophobicContact CE1-CB 3.35Å; Y228-F232 HydrophobicContact CE2-CB 4.26Å; Y228-F232 HydrophobicContact CG-CB 4.35Å; Y228-F232 WeakPolarHBondContact O-CA 3.23Å; Y228-F232 WeakPolarHBondContact O-CB 3.47Å; Y228-F232 PolarHBondContact O-N 2.96Å; F232-G236 WeakPolarHBondContact O-CA 3.44Å; F232-G236 PolarHBondContact O-N 3.45Å; F232-L269 HydrophobicContact CD1-CB 4.42Å; F232-L269 HydrophobicContact CD1-CD1 4.21Å; F232-L269 HydrophobicContact CD2-CB 4.36Å; F232-L269 HydrophobicContact CG-CB 4.23Å; F232-L270 HydrophobicContact CD2-CB 4.47Å; F232-L270 HydrophobicContact CD2-CD1 4.46Å
233V92.7Very high93.4Very high113 Ų11344.4 Ų44.469%0.68524%0.238SC*.Hα-helixtrans-67.4-42178.5-178.70000111.3H231H231-V233 PolarHBondContact O-N 3.43Å
234Q93Very high93.7Very high119 Ų11944.4 Ų44.456%0.55624%0.238SC*.Hα-helixtrans-77.6-37-178.7-60.1-175.131.800111.8P197 H231P197-Q234 HydrophobicContact CG-CB 4.3Å; H231-Q234 PolarHBondContact O-N 3.24Å
235I94Very high93.8Very high6 Ų644.7 Ų44.73%0.03124%0.24CC..Hα-helixtrans-71.5-44.8178.5-61.4164.8000110F201 T227 Y228 H231F201-I235 HydrophobicContact CB-CD1 4Å; F201-I235 HydrophobicContact CB-CG1 4.41Å; F201-I235 HydrophobicContact CD1-CG2 3.94Å; F201-I235 HydrophobicContact CD2-CD1 3.89Å; F201-I235 HydrophobicContact CE1-CG2 4.13Å; F201-I235 HydrophobicContact CG-CD1 3.97Å; F201-I235 HydrophobicContact CG-CG2 4.22Å; T227-I235 HydrophobicContact CG2-CD1 4.16Å; Y228-I235 HydrophobicContact CD2-CB 4.32Å; Y228-I235 HydrophobicContact CD2-CD1 3.92Å; Y228-I235 HydrophobicContact CD2-CG2 4.05Å; Y228-I235 HydrophobicContact CE2-CB 4.11Å; Y228-I235 HydrophobicContact CE2-CG2 3.82Å; H231-I235 HydrophobicContact CB-CD1 4Å; H231-I235 HydrophobicContact CB-CG1 4.32Å; H231-I235 WeakPolarHBondContact O-CG1 3.05Å; H231-I235 PolarHBondContact O-N 2.88Å
236G94.3Very high93.8Very high19 Ų1947.4 Ų47.420%0.19626%0.259CS..  trans79.6-150.8-179.500000113.1Y228 F232 L270Y228-G236 PolarHBondContact OH-O 3.4Å; F232-G236 WeakPolarHBondContact O-CA 3.44Å; F232-G236 PolarHBondContact O-N 3.45Å; G236-L270 VanDerWaalsContact C-CD2 3.43Å
237A95.2Very high93.9Very high58 Ų5848.9 Ų48.948%0.47927%0.266SS..SBendtrans-72.7137.5-177.800000111.6L270 A272 N273A237-L270 HydrophobicContact CB-CD2 4.14Å; A237-A272 HydrophobicContact CB-CB 3.95Å; A237-N273 WeakPolarHBondContact CA-OD1 3.1Å
238F95.6Very high94Very high3 Ų349 Ų491%0.01327%0.267CS..  trans-99.4126.2-177.6-178.3-120.3000111.3F201 Y202 Y205 G240 I241 L244 L267 N273F201-F238 AromaticContact CE1-CD2 3.58Å; F201-F238 HydrophobicContact CE1-CD2 3.58Å; F201-F238 AromaticContact CE1-CE2 3.71Å; F201-F238 HydrophobicContact CE1-CE2 3.71Å; F201-F238 HydrophobicContact CE1-CG 4.41Å; F201-F238 AromaticContact CZ-CD2 3.94Å; F201-F238 HydrophobicContact CZ-CD2 3.94Å; F201-F238 HydrophobicContact CZ-CE2 4.15Å; F201-F238 HydrophobicContact CZ-CG 4.37Å; Y202-F238 HydrophobicContact CE1-CD2 4.32Å; Y202-F238 HydrophobicContact CE1-CE2 4.1Å; Y205-F238 HydrophobicContact CD1-CE2 4.19Å; Y205-F238 HydrophobicContact CD1-CZ 4.1Å; Y205-F238 AromaticContact CD2-CZ 3.96Å; Y205-F238 HydrophobicContact CD2-CZ 3.96Å; Y205-F238 HydrophobicContact CE1-CE2 4.18Å; Y205-F238 AromaticContact CE1-CZ 3.79Å; Y205-F238 HydrophobicContact CE1-CZ 3.79Å; Y205-F238 HydrophobicContact CE2-CE1 4.42Å; Y205-F238 AromaticContact CE2-CZ 3.67Å; Y205-F238 HydrophobicContact CE2-CZ 3.67Å; Y205-F238 HydrophobicContact CG-CE2 4.39Å; Y205-F238 HydrophobicContact CG-CZ 4.17Å; Y205-F238 AromaticContact CZ-CZ 3.57Å; F238-G240 VanDerWaalsContact CE1-C 3.45Å; F238-G240 VanDerWaalsContact CE1-CA 3.4Å; F238-I241 HydrophobicContact CB-CD1 4.31Å; F238-I241 HydrophobicContact CB-CG1 4.24Å; F238-I241 HydrophobicContact CD1-CG1 3.74Å; F238-I241 HydrophobicContact CG-CG1 4.44Å; F238-I241 VanDerWaalsContact O-CD1 3.27Å; F238-I241 WeakPolarHBondContact O-CD1 3.25Å; F238-I241 WeakPolarHBondContact O-CG1 3.25Å; F238-L244 HydrophobicContact CD1-CD1 4.13Å; F238-L244 HydrophobicContact CE1-CD1 3.58Å; F238-L244 HydrophobicContact CE1-CG 4.2Å; F238-L267 HydrophobicContact CB-CD2 3.85Å; F238-L267 HydrophobicContact CD1-CD1 3.86Å; F238-L267 HydrophobicContact CD1-CD2 4.18Å; F238-L267 HydrophobicContact CG-CD2 4.21Å; F238-N273 PolarHBondContact N-OD1 3.11Å
239S91.7Very high93.9Very high103 Ų10350.4 Ų50.472%0.7228%0.276SS*.THydrogen-bonded Turntrans-78.1-25.7-176.451.70000114.1I241S239-I241 VanDerWaalsContact C-N 3.25Å; S239-I241 PolarHBondContact O-N 3.38Å
240G92.4Very high93.7Very high4 Ų452.9 Ų52.94%0.04129%0.288CS..THydrogen-bonded Turntrans-81.811.6-175.600000115.2F238 R242 D243 L244F238-G240 VanDerWaalsContact CE1-C 3.45Å; F238-G240 VanDerWaalsContact CE1-CA 3.4Å; G240-R242 PolarHBondContact O-N 3.25Å; G240-D243 PolarHBondContact O-N 3.45Å; G240-L244 WeakPolarHBondContact O-CG 3.46Å; G240-L244 PolarHBondContact O-N 3.23Å
241I95.9Very high93.5Very high2 Ų249.7 Ų49.71%0.0127%0.274CS..Hα-helixtrans-60.8-43-173.9-70.2172.1000112F238 S239 D243 L244 V245 L267 N273 E276 I277F238-I241 HydrophobicContact CB-CD1 4.31Å; F238-I241 HydrophobicContact CB-CG1 4.24Å; F238-I241 HydrophobicContact CD1-CG1 3.74Å; F238-I241 HydrophobicContact CG-CG1 4.44Å; F238-I241 VanDerWaalsContact O-CD1 3.27Å; F238-I241 WeakPolarHBondContact O-CD1 3.25Å; F238-I241 WeakPolarHBondContact O-CG1 3.25Å; S239-I241 VanDerWaalsContact C-N 3.25Å; S239-I241 PolarHBondContact O-N 3.38Å; I241-D243 VanDerWaalsContact C-N 3.27Å; I241-D243 PolarHBondContact O-N 2.88Å; I241-L244 PolarHBondContact O-N 3.39Å; I241-V245 HydrophobicContact CG2-CG2 4.36Å; I241-V245 WeakPolarHBondContact O-CG2 3.42Å; I241-V245 PolarHBondContact O-N 2.99Å; I241-L267 HydrophobicContact CG1-CD1 4.17Å; I241-N273 HydrophobicContact CD1-CB 3.44Å; I241-N273 VanDerWaalsContact CD1-CB 3.44Å; I241-E276 HydrophobicContact CB-CB 4.01Å; I241-E276 HydrophobicContact CD1-CB 3.76Å; I241-E276 HydrophobicContact CD1-CG 4.38Å; I241-E276 HydrophobicContact CG1-CB 4.46Å; I241-E276 HydrophobicContact CG2-CB 3.92Å; I241-I277 HydrophobicContact CG2-CB 4.38Å; I241-I277 HydrophobicContact CG2-CG1 3.62Å
242R95.4Very high93.1Very high173 Ų17350.7 Ų50.765%0.65329%0.285SS*.Hα-helixtrans-59.1-43179.6-171.2-171.671.7-163.11.1111.3G240 V245 S246 A280G240-R242 PolarHBondContact O-N 3.25Å; R242-V245 PolarHBondContact O-N 3.39Å; R242-S246 WeakPolarHBondContact O-CB 3.33Å; R242-S246 PolarHBondContact O-N 2.97Å; R242-A280 HydrophobicContact CB-CB 4.28Å; R242-A280 HydrophobicContact CG-CB 4.14Å
243D94.4Very high92.9Very high71 Ų7148.8 Ų48.838%0.3828%0.278SS..Hα-helixtrans-70.5-36.1-179.1-51.7-38.5000110.5G240 I241 S246 L247G240-D243 PolarHBondContact O-N 3.45Å; I241-D243 VanDerWaalsContact C-N 3.27Å; I241-D243 PolarHBondContact O-N 2.88Å; D243-S246 PolarHBondContact O-N 2.89Å; D243-L247 WeakPolarHBondContact O-CB 3.17Å; D243-L247 WeakPolarHBondContact O-CD1 3.3Å; D243-L247 WeakPolarHBondContact O-CG 3.32Å; D243-L247 PolarHBondContact O-N 3.48Å
244L95.7Very high92.6Very high0 Ų045.1 Ų45.10%025%0.254CS..Hα-helixtrans-64.2-42.3172.9-68.7178.4000113.2Y205 Y208 F238 G240 I241 S246 L247 L248 L260 F263 L267Y205-L244 HydrophobicContact CE2-CD2 4.46Å; Y208-L244 HydrophobicContact CE1-CD2 4.46Å; F238-L244 HydrophobicContact CD1-CD1 4.13Å; F238-L244 HydrophobicContact CE1-CD1 3.58Å; F238-L244 HydrophobicContact CE1-CG 4.2Å; G240-L244 WeakPolarHBondContact O-CG 3.46Å; G240-L244 PolarHBondContact O-N 3.23Å; I241-L244 PolarHBondContact O-N 3.39Å; L244-S246 VanDerWaalsContact C-N 3.33Å; L244-L247 PolarHBondContact O-N 3.01Å; L244-L248 WeakPolarHBondContact O-CB 3.28Å; L244-L248 PolarHBondContact O-N 3.44Å; L244-L260 HydrophobicContact CD2-CD2 3.74Å; L244-F263 HydrophobicContact CD1-CD1 3.68Å; L244-F263 HydrophobicContact CD1-CE1 3.49Å; L244-F263 VanDerWaalsContact CD1-CE1 3.49Å; L244-F263 HydrophobicContact CD1-CZ 4.49Å; L244-F263 HydrophobicContact CD2-CD1 4.42Å; L244-F263 HydrophobicContact CD2-CE1 4.44Å; L244-L267 HydrophobicContact CD1-CD1 3.63Å
245V96.2Very high92.4Very high7 Ų740.8 Ų40.84%0.04224%0.237CC..Hα-helixtrans-65-42.2176.8173.80000110.1I241 R242 L247 L248 S249 I264 A280 L285I241-V245 HydrophobicContact CG2-CG2 4.36Å; I241-V245 WeakPolarHBondContact O-CG2 3.42Å; I241-V245 PolarHBondContact O-N 2.99Å; R242-V245 PolarHBondContact O-N 3.39Å; V245-L247 VanDerWaalsContact C-N 3.35Å; V245-L248 PolarHBondContact O-N 3.49Å; V245-S249 PolarHBondContact O-N 3.29Å; V245-I264 HydrophobicContact CG2-CD1 4.34Å; V245-A280 HydrophobicContact CB-CB 3.97Å; V245-A280 HydrophobicContact CG1-CB 4.15Å; V245-A280 WeakPolarHBondContact CG1-O 3.45Å; V245-A280 HydrophobicContact CG2-CB 4.04Å; V245-L285 HydrophobicContact CG1-CD2 3.96Å
246S94.9Very high92.3Very high60 Ų6040.9 Ų40.942%0.4224%0.237SC..Hα-helixtrans-63.3-38.9173.4-173.90000112.4R242 D243 L244 S249 H250R242-S246 WeakPolarHBondContact O-CB 3.33Å; R242-S246 PolarHBondContact O-N 2.97Å; D243-S246 PolarHBondContact O-N 2.89Å; L244-S246 VanDerWaalsContact C-N 3.33Å; S246-S249 PolarHBondContact O-N 2.95Å; S246-S249 PolarHBondContact O-OG 3.39Å; S246-H250 PolarHBondContact O-N 2.94Å; S246-H250 PolarHBondContact O-ND1 3.13Å
247L93.3Very high92.1Very high55 Ų5540.3 Ų40.329%0.28823%0.23SC..Hα-helixtrans-66.3-42.7175.8-77.2164.6000110.9Y208 D243 L244 V245 S249 H250 S251 L260Y208-L247 HydrophobicContact CE1-CD1 4.16Å; D243-L247 WeakPolarHBondContact O-CB 3.17Å; D243-L247 WeakPolarHBondContact O-CD1 3.3Å; D243-L247 WeakPolarHBondContact O-CG 3.32Å; D243-L247 PolarHBondContact O-N 3.48Å; L244-L247 PolarHBondContact O-N 3.01Å; V245-L247 VanDerWaalsContact C-N 3.35Å; L247-S249 VanDerWaalsContact C-N 3.32Å; L247-S249 PolarHBondContact O-N 2.64Å; L247-H250 PolarHBondContact O-N 3.05Å; L247-S251 WeakPolarHBondContact O-CB 3.35Å; L247-S251 PolarHBondContact O-N 3.36Å; L247-L260 HydrophobicContact CB-CD1 4.17Å
248L94Very high91.9Very high3 Ų338 Ų382%0.01621%0.21CC..Hα-helixtrans-60.7-42.2176.1179.562.1000111.2L244 V245 H250 C257 L260 L261 I264 L285 L289 W370L244-L248 WeakPolarHBondContact O-CB 3.28Å; L244-L248 PolarHBondContact O-N 3.44Å; V245-L248 PolarHBondContact O-N 3.49Å; L248-H250 VanDerWaalsContact C-N 3.27Å; L248-H250 PolarHBondContact O-N 3.2Å; L248-C257 HydrophobicContact CD1-CB 4.18Å; L248-L260 HydrophobicContact CB-CB 4.46Å; L248-L260 HydrophobicContact CB-CD1 4.36Å; L248-L260 HydrophobicContact CD1-CB 4.11Å; L248-L261 HydrophobicContact CD2-CD1 4.43Å; L248-I264 HydrophobicContact CB-CD1 4.41Å; L248-I264 HydrophobicContact CD2-CD1 3.82Å; L248-L285 HydrophobicContact CB-CD2 4.08Å; L248-L285 HydrophobicContact CD2-CD2 3.82Å; L248-L285 HydrophobicContact CG-CD2 3.9Å; L248-L289 HydrophobicContact CD1-CD1 4.45Å; L248-L289 HydrophobicContact CD2-CD1 3.94Å; L248-L289 HydrophobicContact CG-CD1 4.29Å; L248-W370 WeakPolarHBondContact O-CZ2 3.35Å
249S91.9Very high91.8Very high28 Ų2838.2 Ų38.220%0.19621%0.211CC..Hα-helixtrans-67.4-24.9-179.772.30000113.8V245 S246 L247 R369V245-S249 PolarHBondContact O-N 3.29Å; S246-S249 PolarHBondContact O-N 2.95Å; S246-S249 PolarHBondContact O-OG 3.39Å; L247-S249 VanDerWaalsContact C-N 3.32Å; L247-S249 PolarHBondContact O-N 2.64Å; S249-R369 PolarHBondContact O-NE 2.85Å; S249-R369 PolarHBondContact O-NH1 3.43Å; S249-R369 PolarHBondContact O-NH2 2.83Å; S249-R369 VanDerWaalsContact O-NH2 3.16Å
250H90.1Very high92Very high133 Ų13333.3 Ų33.362%0.61618%0.177SC*.Hα-helixtrans-108-6.5-178.7-62.189.7000113.8S246 L247 L248 A252S246-H250 PolarHBondContact O-N 2.94Å; S246-H250 PolarHBondContact O-ND1 3.13Å; L247-H250 PolarHBondContact O-N 3.05Å; L248-H250 VanDerWaalsContact C-N 3.27Å; L248-H250 PolarHBondContact O-N 3.2Å; H250-A252 PolarHBondContact O-N 2.82Å
251S87.1Confident92.2Very high11 Ų1133.3 Ų33.38%0.07718%0.176CC..  trans-67.8127-177.6178.40000111.1L247 D253 C257 W370L247-S251 WeakPolarHBondContact O-CB 3.35Å; L247-S251 PolarHBondContact O-N 3.36Å; S251-D253 PolarHBondContact OG-N 3.26Å; S251-D253 PolarHBondContact OG-O 2.97Å; S251-C257 WeakPolarHBondContact CB-SG 3.41Å; S251-C257 PolarHBondContact O-SG 3.33Å; S251-C257 VanDerWaalsContact O-SG 3.4Å; S251-C257 PolarHBondContact OG-SG 3.08Å; S251-W370 PolarHBondContact O-NE1 2.78Å; S251-W370 VanDerWaalsContact O-NE1 3.14Å
252A83.9Confident92.2Very high37 Ų3735.8 Ų35.831%0.30619%0.189SC..  trans-95.7-14.117300000112.5H250 A374 T375H250-A252 PolarHBondContact O-N 2.82Å; A252-A374 CarbonylContact O-C 3.54Å; A252-A374 WeakPolarHBondContact O-CA 3.49Å; A252-A374 WeakPolarHBondContact O-CB 3.23Å; A252-T375 PolarHBondContact O-N 3.05Å
253D88.4Confident92.2Very high20 Ų2027.6 Ų27.611%0.10716%0.158CC..BIsolated β-bridgetrans-87.4117.4178.5-17495000110.3N214 S251 S255 E256 C257 T375N214-D253 PolarHBondContact ND2-OD1 3.22Å; S251-D253 PolarHBondContact OG-N 3.26Å; S251-D253 PolarHBondContact OG-O 2.97Å; D253-S255 VanDerWaalsContact C-N 3.3Å; D253-S255 PolarHBondContact O-N 3.46Å; D253-S255 WeakPolarHBondContact OD2-CA 3.4Å; D253-S255 WeakPolarHBondContact OD2-CB 3.33Å; D253-S255 PolarHBondContact OD2-N 3Å; D253-S255 VanDerWaalsContact OD2-N 3.11Å; D253-E256 HydrophobicContact CB-CB 4.03Å; D253-E256 PolarHBondContact O-N 3.27Å; D253-E256 PolarHBondContact OD2-N 2.86Å; D253-C257 PolarHBondContact O-N 3Å; D253-C257 PolarHBondContact O-SG 3Å; D253-T375 WeakPolarHBondContact CA-O 3.41Å
254L88.1Confident92.4Very high36 Ų3624.4 Ų24.419%0.18814%0.142CC..Hα-helixtrans-64.6-34.4-176.1-63.8177.9000112.7C257 N258 W370 A374 T375L254-C257 PolarHBondContact O-N 3.37Å; L254-N258 VanDerWaalsContact O-CG 3.3Å; L254-N258 PolarHBondContact O-N 2.86Å; L254-W370 HydrophobicContact CD2-CB 4.41Å; L254-W370 WeakPolarHBondContact CD2-O 3.5Å; L254-A374 HydrophobicContact CD1-CB 4.31Å; L254-A374 HydrophobicContact CD2-CB 3.55Å; L254-A374 HydrophobicContact CG-CB 3.76Å; L254-T375 PolarHBondContact N-O 2.93Å
255S88.8Confident92.4Very high28 Ų2824.8 Ų24.820%0.19615%0.145CC..Hα-helixtrans-68-44.2178.2174.80000110.5C218 D253 N258 C259C218-S255 PolarHBondContact SG-OG 2.92Å; D253-S255 VanDerWaalsContact C-N 3.3Å; D253-S255 PolarHBondContact O-N 3.46Å; D253-S255 WeakPolarHBondContact OD2-CA 3.4Å; D253-S255 WeakPolarHBondContact OD2-CB 3.33Å; D253-S255 PolarHBondContact OD2-N 3Å; D253-S255 VanDerWaalsContact OD2-N 3.11Å; S255-N258 PolarHBondContact O-N 3.48Å; S255-C259 PolarHBondContact O-N 3.49Å; S255-C259 VanDerWaalsContact O-N 3.1Å; S255-C259 PolarHBondContact O-SG 2.96Å
256E90.3Very high92.5Very high7 Ų726.6 Ų26.63%0.03315%0.153CC..Hα-helixtrans-64.1-44174.7-172.3173.6-170.400111.3Y208 R217 L221 D253 N258 C259 L260Y208-E256 WeakPolarHBondContact CE2-OE1 3.4Å; Y208-E256 PolarHBondContact OH-OE1 3.01Å; R217-E256 VanDerWaalsContact CZ-CD 3.49Å; R217-E256 IonicContact CZ-OE1 3.19Å; R217-E256 IonicContact CZ-OE2 2.72Å; R217-E256 IonicContact NE-OE1 3.55Å; R217-E256 PolarHBondContact NE-OE1 2.76Å; R217-E256 IonicContact NH1-OE1 2.76Å; R217-E256 PolarHBondContact NH1-OE1 3.21Å; R217-E256 IonicContact NH1-OE2 3.71Å; R217-E256 PolarHBondContact NH1-OE2 2.97Å; R217-E256 IonicContact NH2-OE1 3.24Å; R217-E256 PolarHBondContact NH2-OE1 2.91Å; R217-E256 IonicContact NH2-OE2 3.73Å; L221-E256 HydrophobicContact CD1-CG 3.99Å; D253-E256 HydrophobicContact CB-CB 4.03Å; D253-E256 PolarHBondContact O-N 3.27Å; D253-E256 PolarHBondContact OD2-N 2.86Å; E256-N258 VanDerWaalsContact C-N 3.32Å; E256-N258 PolarHBondContact O-N 3.43Å; E256-C259 PolarHBondContact O-N 3.03Å; E256-C259 VanDerWaalsContact O-N 3.1Å; E256-L260 HydrophobicContact CG-CD1 3.98Å; E256-L260 HydrophobicContact CG-CG 4.21Å; E256-L260 WeakPolarHBondContact O-CB 3.31Å; E256-L260 WeakPolarHBondContact O-CG 3.38Å; E256-L260 PolarHBondContact O-N 3.47Å
257C91Very high92.6Very high8 Ų823.8 Ų23.85%0.05413%0.133CC..Hα-helixtrans-54.1-48.1176.7-68.20000111.6L248 S251 D253 L254 C259 L260 L261L248-C257 HydrophobicContact CD1-CB 4.18Å; S251-C257 WeakPolarHBondContact CB-SG 3.41Å; S251-C257 PolarHBondContact O-SG 3.33Å; S251-C257 VanDerWaalsContact O-SG 3.4Å; S251-C257 PolarHBondContact OG-SG 3.08Å; D253-C257 PolarHBondContact O-N 3Å; D253-C257 PolarHBondContact O-SG 3Å; L254-C257 PolarHBondContact O-N 3.37Å; C257-C259 VanDerWaalsContact C-N 3.35Å; C257-C259 PolarHBondContact O-N 3.41Å; C257-L260 PolarHBondContact O-N 2.99Å; C257-L261 VanDerWaalsContact O-CB 3.32Å; C257-L261 WeakPolarHBondContact O-CB 3.38Å; C257-L261 PolarHBondContact O-N 3.42Å
258N91.9Very high92.8Very high10 Ų1021.1 Ų21.15%0.05312%0.119CC..Hα-helixtrans-64.1-40.4178.4-70.6-11.8000112.1L254 S255 E256 L261 N262 S378 S379 M380L254-N258 VanDerWaalsContact O-CG 3.3Å; L254-N258 PolarHBondContact O-N 2.86Å; S255-N258 PolarHBondContact O-N 3.48Å; E256-N258 VanDerWaalsContact C-N 3.32Å; E256-N258 PolarHBondContact O-N 3.43Å; N258-L261 PolarHBondContact O-N 2.92Å; N258-N262 WeakPolarHBondContact O-CB 3.32Å; N258-N262 PolarHBondContact O-N 2.97Å; N258-S378 PolarHBondContact ND2-OG 3.45Å; N258-S379 PolarHBondContact ND2-N 3.21Å; N258-S379 PolarHBondContact ND2-OG 3.42Å; N258-M380 PolarHBondContact ND2-N 2.95Å
259C93.6Very high92.9Very high6 Ų623.3 Ų23.34%0.04113%0.131CC..Hα-helixtrans-66.2-41.1177.6-660000111.7L221 S255 E256 C257 F263L221-C259 HydrophobicContact CB-CB 3.76Å; L221-C259 HydrophobicContact CD1-CB 3.74Å; L221-C259 HydrophobicContact CG-CB 4.43Å; S255-C259 PolarHBondContact O-N 3.49Å; S255-C259 VanDerWaalsContact O-N 3.1Å; S255-C259 PolarHBondContact O-SG 2.96Å; E256-C259 PolarHBondContact O-N 3.03Å; E256-C259 VanDerWaalsContact O-N 3.1Å; C257-C259 VanDerWaalsContact C-N 3.35Å; C257-C259 PolarHBondContact O-N 3.41Å; C259-F263 WeakPolarHBondContact O-CB 3.4Å; C259-F263 PolarHBondContact O-N 3.17Å
260L95.4Very high93.1Very high0 Ų024.1 Ų24.10%013%0.132CC..Hα-helixtrans-62.7-47.3174.4-78.1170.5000111.2L221 L244 L247 L248 E256 C257 N262 F263 I264L221-L260 HydrophobicContact CD1-CD2 3.87Å; L221-L260 HydrophobicContact CD1-CG 3.76Å; L221-L260 HydrophobicContact CD2-CD2 3.75Å; L221-L260 HydrophobicContact CD2-CG 4.49Å; L221-L260 HydrophobicContact CG-CD2 4.49Å; L244-L260 HydrophobicContact CD2-CD2 3.74Å; L247-L260 HydrophobicContact CB-CD1 4.17Å; L248-L260 HydrophobicContact CB-CB 4.46Å; L248-L260 HydrophobicContact CB-CD1 4.36Å; L248-L260 HydrophobicContact CD1-CB 4.11Å; E256-L260 HydrophobicContact CG-CD1 3.98Å; E256-L260 HydrophobicContact CG-CG 4.21Å; E256-L260 WeakPolarHBondContact O-CB 3.31Å; E256-L260 WeakPolarHBondContact O-CG 3.38Å; E256-L260 PolarHBondContact O-N 3.47Å; C257-L260 PolarHBondContact O-N 2.99Å; L260-N262 PolarHBondContact O-N 2.87Å; L260-F263 PolarHBondContact O-N 2.77Å; L260-I264 WeakPolarHBondContact O-CG1 3.5Å; L260-I264 PolarHBondContact O-N 3.47Å
261L95.9Very high93.4Very high5 Ų522.2 Ų22.23%0.02612%0.122CC..Hα-helixtrans-60.5-45.1178.6179.460.7000111.5L248 C257 N258 F263 I264 G265 L286 I385 F388 I389L248-L261 HydrophobicContact CD2-CD1 4.43Å; C257-L261 VanDerWaalsContact O-CB 3.32Å; C257-L261 WeakPolarHBondContact O-CB 3.38Å; C257-L261 PolarHBondContact O-N 3.42Å; N258-L261 PolarHBondContact O-N 2.92Å; L261-F263 VanDerWaalsContact C-N 3.35Å; L261-F263 PolarHBondContact O-N 2.87Å; L261-I264 PolarHBondContact O-N 2.81Å; L261-G265 PolarHBondContact O-N 3.48Å; L261-L286 HydrophobicContact CD1-CD2 3.49Å; L261-L286 VanDerWaalsContact CD1-CD2 3.49Å; L261-I385 HydrophobicContact CD2-CG2 3.86Å; L261-F388 HydrophobicContact CD1-CD1 4.2Å; L261-F388 HydrophobicContact CD1-CE1 3.94Å; L261-F388 HydrophobicContact CD2-CD1 3.99Å; L261-F388 HydrophobicContact CD2-CE1 4.34Å; L261-F388 HydrophobicContact CG-CD1 3.81Å; L261-F388 HydrophobicContact CG-CE1 3.65Å; L261-F388 WeakPolarHBondContact O-CE1 3.36Å; L261-I389 HydrophobicContact CD1-CG1 4.15Å; L261-I389 HydrophobicContact CD2-CD1 4.18Å; L261-I389 HydrophobicContact CD2-CG1 4.12Å
262N95.6Very high93.9Very high54 Ų5423.7 Ų23.729%0.28914%0.135SC..Hα-helixtrans-60-46.6174.9-176.139.2000111.2N258 L260 I264 G265 K266N258-N262 WeakPolarHBondContact O-CB 3.32Å; N258-N262 PolarHBondContact O-N 2.97Å; L260-N262 PolarHBondContact O-N 2.87Å; N262-I264 PolarHBondContact O-N 3.35Å; N262-G265 WeakPolarHBondContact O-CA 3.47Å; N262-G265 PolarHBondContact O-N 2.88Å; N262-G265 VanDerWaalsContact O-N 3.08Å; N262-K266 PolarHBondContact O-N 3.35Å
263F96.7Very high94.5Very high0 Ų022 Ų220%012%0.121CC..Hα-helixtrans-62.8-44.2-179.8-177.6-142.8000112.4F201 L221 L224 S225 L244 C259 L260 L261 G265 K266 L267F201-F263 AromaticContact CE2-CE2 3.87Å; F201-F263 HydrophobicContact CE2-CE2 3.87Å; F201-F263 AromaticContact CE2-CZ 3.74Å; F201-F263 HydrophobicContact CE2-CZ 3.74Å; F201-F263 HydrophobicContact CZ-CE2 4.21Å; F201-F263 AromaticContact CZ-CZ 3.69Å; F201-F263 HydrophobicContact CZ-CZ 3.69Å; L221-F263 HydrophobicContact CD2-CD1 3.85Å; L224-F263 HydrophobicContact CB-CD2 4.06Å; L224-F263 HydrophobicContact CB-CE1 4.15Å; L224-F263 HydrophobicContact CB-CE2 3.68Å; L224-F263 HydrophobicContact CB-CG 4.5Å; L224-F263 HydrophobicContact CB-CZ 3.72Å; L224-F263 HydrophobicContact CD1-CE1 3.95Å; L224-F263 HydrophobicContact CD1-CZ 4.14Å; L224-F263 HydrophobicContact CG-CZ 4.37Å; S225-F263 WeakPolarHBondContact OG-CA 3.47Å; S225-F263 WeakPolarHBondContact OG-CB 3.43Å; L244-F263 HydrophobicContact CD1-CD1 3.68Å; L244-F263 HydrophobicContact CD1-CE1 3.49Å; L244-F263 VanDerWaalsContact CD1-CE1 3.49Å; L244-F263 HydrophobicContact CD1-CZ 4.49Å; L244-F263 HydrophobicContact CD2-CD1 4.42Å; L244-F263 HydrophobicContact CD2-CE1 4.44Å; C259-F263 WeakPolarHBondContact O-CB 3.4Å; C259-F263 PolarHBondContact O-N 3.17Å; L260-F263 PolarHBondContact O-N 2.77Å; L261-F263 VanDerWaalsContact C-N 3.35Å; L261-F263 PolarHBondContact O-N 2.87Å; F263-G265 PolarHBondContact O-N 3.1Å; F263-K266 WeakPolarHBondContact O-CA 3.49Å; F263-K266 PolarHBondContact O-N 2.81Å; F263-L267 HydrophobicContact CD1-CD1 4.28Å; F263-L267 HydrophobicContact CD2-CD1 4.47Å; F263-L267 HydrophobicContact CD2-CG 4.17Å; F263-L267 HydrophobicContact CE1-CD1 4.03Å; F263-L267 HydrophobicContact CE2-CD1 4.19Å; F263-L267 HydrophobicContact CE2-CD2 3.89Å; F263-L267 HydrophobicContact CE2-CG 3.85Å; F263-L267 HydrophobicContact CZ-CD1 3.97Å; F263-L267 HydrophobicContact CZ-CD2 3.99Å; F263-L267 HydrophobicContact CZ-CG 4.08Å; F263-L267 WeakPolarHBondContact O-CG 3.5Å; F263-L267 PolarHBondContact O-N 3.18Å
264I97.4Very high94.9Very high5 Ų521 Ų213%0.02612%0.116CC..Hα-helixtrans-57.5-40.3172.8-70.2168000110.6V245 L248 L260 L261 N262 K266 L267 A268 I277V245-I264 HydrophobicContact CG2-CD1 4.34Å; L248-I264 HydrophobicContact CB-CD1 4.41Å; L248-I264 HydrophobicContact CD2-CD1 3.82Å; L260-I264 WeakPolarHBondContact O-CG1 3.5Å; L260-I264 PolarHBondContact O-N 3.47Å; L261-I264 PolarHBondContact O-N 2.81Å; N262-I264 PolarHBondContact O-N 3.35Å; I264-K266 VanDerWaalsContact C-N 3.32Å; I264-K266 PolarHBondContact O-N 3.31Å; I264-L267 PolarHBondContact O-N 3.29Å; I264-A268 PolarHBondContact O-N 2.96Å; I264-I277 HydrophobicContact CG2-CD1 3.88Å; I264-I277 HydrophobicContact CG2-CG1 4.37Å
265G97.2Very high95.4Very high8 Ų824.6 Ų24.68%0.08213%0.13CC..Hα-helixtrans-62.2-35.7174.500000114.1L261 N262 F263L261-G265 PolarHBondContact O-N 3.48Å; N262-G265 WeakPolarHBondContact O-CA 3.47Å; N262-G265 PolarHBondContact O-N 2.88Å; N262-G265 VanDerWaalsContact O-N 3.08Å; F263-G265 PolarHBondContact O-N 3.1Å
266K97Very high95.7Very high44 Ų4427.6 Ų27.619%0.19114%0.141CC..Hα-helixtrans-72-41.1172.7-58.3-53.6-179.1170.50111.7Y228 E229 N262 F263 I264 A268 L269Y228-K266 WeakPolarHBondContact CD1-O 3.42Å; E229-K266 HydrophobicContact CB-CD 4.17Å; E229-K266 HydrophobicContact CG-CD 4.42Å; E229-K266 IonicContact OE1-NZ 3.4Å; E229-K266 PolarHBondContact OE1-NZ 3.19Å; E229-K266 WeakPolarHBondContact OE2-CE 3.43Å; E229-K266 IonicContact OE2-NZ 3.59Å; E229-K266 PolarHBondContact OE2-NZ 3.23Å; N262-K266 PolarHBondContact O-N 3.35Å; F263-K266 WeakPolarHBondContact O-CA 3.49Å; F263-K266 PolarHBondContact O-N 2.81Å; I264-K266 VanDerWaalsContact C-N 3.32Å; I264-K266 PolarHBondContact O-N 3.31Å; K266-A268 PolarHBondContact O-N 3.41Å; K266-L269 VanDerWaalsContact O-CB 3.25Å; K266-L269 WeakPolarHBondContact O-CB 3.46Å; K266-L269 WeakPolarHBondContact O-CD1 3.26Å; K266-L269 WeakPolarHBondContact O-CG 3.35Å; K266-L269 PolarHBondContact O-N 3.28Å
267L97.6Very high96.1Very high1 Ų127.3 Ų27.31%0.00514%0.14CC..Hα-helixtrans-58.4-33.4174.4-69.4173.7000112.1Y228 F238 I241 L244 F263 I264 L269 L270 N273Y228-L267 HydrophobicContact CD1-CD2 4Å; Y228-L267 HydrophobicContact CD2-CD2 3.83Å; Y228-L267 HydrophobicContact CE1-CD2 3.94Å; Y228-L267 HydrophobicContact CE2-CD2 3.78Å; Y228-L267 HydrophobicContact CG-CD2 3.96Å; F238-L267 HydrophobicContact CB-CD2 3.85Å; F238-L267 HydrophobicContact CD1-CD1 3.86Å; F238-L267 HydrophobicContact CD1-CD2 4.18Å; F238-L267 HydrophobicContact CG-CD2 4.21Å; I241-L267 HydrophobicContact CG1-CD1 4.17Å; L244-L267 HydrophobicContact CD1-CD1 3.63Å; F263-L267 HydrophobicContact CD1-CD1 4.28Å; F263-L267 HydrophobicContact CD2-CD1 4.47Å; F263-L267 HydrophobicContact CD2-CG 4.17Å; F263-L267 HydrophobicContact CE1-CD1 4.03Å; F263-L267 HydrophobicContact CE2-CD1 4.19Å; F263-L267 HydrophobicContact CE2-CD2 3.89Å; F263-L267 HydrophobicContact CE2-CG 3.85Å; F263-L267 HydrophobicContact CZ-CD1 3.97Å; F263-L267 HydrophobicContact CZ-CD2 3.99Å; F263-L267 HydrophobicContact CZ-CG 4.08Å; F263-L267 WeakPolarHBondContact O-CG 3.5Å; F263-L267 PolarHBondContact O-N 3.18Å; I264-L267 PolarHBondContact O-N 3.29Å; L267-L269 PolarHBondContact O-N 3.4Å; L267-L270 PolarHBondContact O-N 3.07Å; L267-N273 HydrophobicContact CB-CB 4.49Å; L267-N273 VanDerWaalsContact O-CB 3.22Å; L267-N273 WeakPolarHBondContact O-CB 3.43Å; L267-N273 PolarHBondContact O-ND2 3.06Å
268A96.9Very high96.4Very high0 Ų027.2 Ų27.20%014%0.138CC..THydrogen-bonded Turntrans-696.9174.600000114.7I264 K266 L270 V274 I277 L392 K395 F399I264-A268 PolarHBondContact O-N 2.96Å; K266-A268 PolarHBondContact O-N 3.41Å; A268-L270 VanDerWaalsContact C-N 3.28Å; A268-V274 HydrophobicContact CB-CG2 3.96Å; A268-I277 HydrophobicContact CB-CD1 4.14Å; A268-L392 HydrophobicContact CB-CD1 3.51Å; A268-K395 VanDerWaalsContact O-CE 3.23Å; A268-K395 WeakPolarHBondContact O-CE 3.47Å; A268-K395 PolarHBondContact O-NZ 3.28Å; A268-F399 VanDerWaalsContact O-CE2 3.3Å; A268-F399 WeakPolarHBondContact O-CE2 3.3Å
269L96.2Very high96.6Very high49 Ų4930.8 Ų30.826%0.25716%0.157SC..THydrogen-bonded Turntrans-66.8-29.4164.8-72.4165.2000112.2F232 K266 L267F232-L269 HydrophobicContact CD1-CB 4.42Å; F232-L269 HydrophobicContact CD1-CD1 4.21Å; F232-L269 HydrophobicContact CD2-CB 4.36Å; F232-L269 HydrophobicContact CG-CB 4.23Å; K266-L269 VanDerWaalsContact O-CB 3.25Å; K266-L269 WeakPolarHBondContact O-CB 3.46Å; K266-L269 WeakPolarHBondContact O-CD1 3.26Å; K266-L269 WeakPolarHBondContact O-CG 3.35Å; K266-L269 PolarHBondContact O-N 3.28Å; L267-L269 PolarHBondContact O-N 3.4Å
270L96.8Very high96.7Very high45 Ų4531.4 Ų31.424%0.23616%0.163CC..SBendtrans-104.4126.4-179-171.869000111.5F232 G236 A237 L267 A268 A272 N273 V274F232-L270 HydrophobicContact CD2-CB 4.47Å; F232-L270 HydrophobicContact CD2-CD1 4.46Å; G236-L270 VanDerWaalsContact C-CD2 3.43Å; A237-L270 HydrophobicContact CB-CD2 4.14Å; L267-L270 PolarHBondContact O-N 3.07Å; A268-L270 VanDerWaalsContact C-N 3.28Å; L270-A272 HydrophobicContact CD2-CB 4.09Å; L270-A272 HydrophobicContact CG-CB 4.17Å; L270-A272 PolarHBondContact O-N 3.4Å; L270-A272 VanDerWaalsContact O-N 3.14Å; L270-N273 WeakPolarHBondContact O-CB 3.49Å; L270-N273 PolarHBondContact O-N 3.38Å; L270-V274 PolarHBondContact O-N 3.34Å; L270-V274 VanDerWaalsContact O-N 3.17Å
271K96.5Very high96.8Very high92 Ų9236.3 Ų36.340%0.419%0.189SC..Hα-helixtrans-56.9-31.6-180-175169.6178.4165.50113.7V274 K275 F399 F400K271-V274 PolarHBondContact O-N 3.07Å; K271-K275 PolarHBondContact O-N 3.17Å; K271-F399 HydrophobicContact CB-CD1 3.79Å; K271-F399 HydrophobicContact CB-CE1 3.99Å; K271-F399 HydrophobicContact CB-CG 4.35Å; K271-F399 HydrophobicContact CD-CB 4.32Å; K271-F399 HydrophobicContact CD-CD1 4.07Å; K271-F399 WeakPolarHBondContact CE-O 3.43Å; K271-F399 HydrophobicContact CG-CB 4.29Å; K271-F399 HydrophobicContact CG-CD1 4.04Å; K271-F399 HydrophobicContact CG-CG 4.31Å; K271-F399 PolarHBondContact NZ-O 3.47Å; K271-F400 VanDerWaalsContact CE-CE1 3.49Å; K271-F400 HydrophobicContact CG-CE1 4.48Å; K271-F400 HydrophobicContact CG-CZ 4.24Å
272A96.4Very high96.8Very high43 Ų4336.2 Ų36.236%0.35519%0.19SC..Hα-helixtrans-62.7-46.817600000111.6A237 L270 V274 K275 E276A237-A272 HydrophobicContact CB-CB 3.95Å; L270-A272 HydrophobicContact CD2-CB 4.09Å; L270-A272 HydrophobicContact CG-CB 4.17Å; L270-A272 PolarHBondContact O-N 3.4Å; L270-A272 VanDerWaalsContact O-N 3.14Å; A272-V274 VanDerWaalsContact C-N 3.3Å; A272-V274 PolarHBondContact O-N 3.35Å; A272-K275 WeakPolarHBondContact O-CB 3.06Å; A272-K275 PolarHBondContact O-N 3Å; A272-K275 VanDerWaalsContact O-N 3.15Å; A272-E276 PolarHBondContact O-N 2.86Å
273N97.4Very high97Very high0 Ų033.7 Ų33.70%018%0.176CC..Hα-helixtrans-63.7-37.4176.2-68.1-10.2000112.3Y228 A237 F238 I241 L267 L270 K275 E276 I277Y228-N273 PolarHBondContact OH-ND2 3.11Å; A237-N273 WeakPolarHBondContact CA-OD1 3.1Å; F238-N273 PolarHBondContact N-OD1 3.11Å; I241-N273 HydrophobicContact CD1-CB 3.44Å; I241-N273 VanDerWaalsContact CD1-CB 3.44Å; L267-N273 HydrophobicContact CB-CB 4.49Å; L267-N273 VanDerWaalsContact O-CB 3.22Å; L267-N273 WeakPolarHBondContact O-CB 3.43Å; L267-N273 PolarHBondContact O-ND2 3.06Å; L270-N273 WeakPolarHBondContact O-CB 3.49Å; L270-N273 PolarHBondContact O-N 3.38Å; N273-K275 PolarHBondContact O-N 3.42Å; N273-E276 WeakPolarHBondContact O-CA 3.14Å; N273-E276 WeakPolarHBondContact O-CB 3.5Å; N273-E276 PolarHBondContact O-N 3.34Å; N273-I277 WeakPolarHBondContact O-CG1 3.47Å; N273-I277 PolarHBondContact O-N 3.48Å
274V97.5Very high97Very high0 Ų036.1 Ų36.10%019%0.187CC..Hα-helixtrans-58.4-39.1176.2176.40000110.9A268 L270 K271 A272 E276 I277 I278 I396 F399 F400A268-V274 HydrophobicContact CB-CG2 3.96Å; L270-V274 PolarHBondContact O-N 3.34Å; L270-V274 VanDerWaalsContact O-N 3.17Å; K271-V274 PolarHBondContact O-N 3.07Å; A272-V274 VanDerWaalsContact C-N 3.3Å; A272-V274 PolarHBondContact O-N 3.35Å; V274-E276 VanDerWaalsContact C-N 3.32Å; V274-E276 PolarHBondContact O-N 3.17Å; V274-I277 PolarHBondContact O-N 3.14Å; V274-I278 HydrophobicContact CG1-CD1 3.91Å; V274-I278 HydrophobicContact CG1-CG1 4.48Å; V274-I278 VanDerWaalsContact O-CD1 3.24Å; V274-I278 WeakPolarHBondContact O-CD1 3.47Å; V274-I278 WeakPolarHBondContact O-CG1 3.42Å; V274-I278 PolarHBondContact O-N 3.16Å; V274-I396 HydrophobicContact CG1-CB 4.2Å; V274-I396 HydrophobicContact CG1-CG1 3.94Å; V274-I396 HydrophobicContact CG1-CG2 3.64Å; V274-I396 HydrophobicContact CG2-CG1 4.38Å; V274-F399 HydrophobicContact CG2-CD2 3.95Å; V274-F399 HydrophobicContact CG2-CE2 3.93Å; V274-F400 HydrophobicContact CG1-CE2 3.75Å; V274-F400 HydrophobicContact CG1-CZ 4.33Å
275K96.7Very high96.9Very high111 Ų11136.6 Ų36.648%0.48319%0.19SC..Hα-helixtrans-60.7-41.3173.8-67.3-180177.2-177.80112.2K271 A272 N273 I278 N279 F400K271-K275 PolarHBondContact O-N 3.17Å; A272-K275 WeakPolarHBondContact O-CB 3.06Å; A272-K275 PolarHBondContact O-N 3Å; A272-K275 VanDerWaalsContact O-N 3.15Å; N273-K275 PolarHBondContact O-N 3.42Å; K275-I278 PolarHBondContact O-N 3.38Å; K275-N279 VanDerWaalsContact O-CG 3.23Å; K275-N279 PolarHBondContact O-N 3Å; K275-N279 PolarHBondContact O-ND2 3.34Å; K275-F400 HydrophobicContact CG-CZ 4.13Å
276E96.9Very high96.9Very high92 Ų9236.4 Ų36.443%0.4319%0.187SC..Hα-helixtrans-67.6-39.4177-62.2-50.3121.300112.4I241 A272 N273 V274 I278 N279 A280I241-E276 HydrophobicContact CB-CB 4.01Å; I241-E276 HydrophobicContact CD1-CB 3.76Å; I241-E276 HydrophobicContact CD1-CG 4.38Å; I241-E276 HydrophobicContact CG1-CB 4.46Å; I241-E276 HydrophobicContact CG2-CB 3.92Å; A272-E276 PolarHBondContact O-N 2.86Å; N273-E276 WeakPolarHBondContact O-CA 3.14Å; N273-E276 WeakPolarHBondContact O-CB 3.5Å; N273-E276 PolarHBondContact O-N 3.34Å; V274-E276 VanDerWaalsContact C-N 3.32Å; V274-E276 PolarHBondContact O-N 3.17Å; E276-I278 VanDerWaalsContact C-N 3.29Å; E276-I278 PolarHBondContact O-N 3.44Å; E276-N279 PolarHBondContact O-N 2.98Å; E276-N279 VanDerWaalsContact O-N 3.16Å; E276-A280 WeakPolarHBondContact O-CB 3.42Å; E276-A280 PolarHBondContact O-N 3.21Å
277I97.8Very high97Very high1 Ų134.6 Ų34.61%0.00518%0.18CC..Hα-helixtrans-59.3-43.4173.9-65.4167.1000110.2I241 I264 A268 N273 V274 A280 G282I241-I277 HydrophobicContact CG2-CB 4.38Å; I241-I277 HydrophobicContact CG2-CG1 3.62Å; I264-I277 HydrophobicContact CG2-CD1 3.88Å; I264-I277 HydrophobicContact CG2-CG1 4.37Å; A268-I277 HydrophobicContact CB-CD1 4.14Å; N273-I277 WeakPolarHBondContact O-CG1 3.47Å; N273-I277 PolarHBondContact O-N 3.48Å; V274-I277 PolarHBondContact O-N 3.14Å; I277-A280 PolarHBondContact O-N 2.86Å; I277-G282 WeakPolarHBondContact O-CA 3.44Å; I277-G282 PolarHBondContact O-N 3.41Å
278I97.2Very high96.8Very high5 Ų536.9 Ų36.93%0.02619%0.19CC..Hα-helixtrans-65.1-39.9177.3-61.7156.8000111.2V274 K275 E276 A280 N281 L283 F400 K415 V416 I419V274-I278 HydrophobicContact CG1-CD1 3.91Å; V274-I278 HydrophobicContact CG1-CG1 4.48Å; V274-I278 VanDerWaalsContact O-CD1 3.24Å; V274-I278 WeakPolarHBondContact O-CD1 3.47Å; V274-I278 WeakPolarHBondContact O-CG1 3.42Å; V274-I278 PolarHBondContact O-N 3.16Å; K275-I278 PolarHBondContact O-N 3.38Å; E276-I278 VanDerWaalsContact C-N 3.29Å; E276-I278 PolarHBondContact O-N 3.44Å; I278-A280 VanDerWaalsContact C-N 3.28Å; I278-A280 PolarHBondContact O-N 2.77Å; I278-N281 PolarHBondContact O-N 3.48Å; I278-L283 HydrophobicContact CG1-CD1 4.02Å; I278-L283 HydrophobicContact CG1-CD2 4.37Å; I278-L283 HydrophobicContact CG1-CG 4.21Å; I278-L283 HydrophobicContact CG2-CD1 4.35Å; I278-F400 HydrophobicContact CD1-CE2 3.95Å; I278-F400 HydrophobicContact CD1-CZ 4.24Å; I278-K415 HydrophobicContact CG2-CB 4.21Å; I278-K415 HydrophobicContact CG2-CD 3.7Å; I278-K415 HydrophobicContact CG2-CG 3.72Å; I278-V416 HydrophobicContact CD1-CG2 3.18Å; I278-V416 HydrophobicContact CG1-CG2 3.84Å; I278-I419 HydrophobicContact CG2-CD1 3.74Å
279N96.5Very high96.7Very high85 Ų8537.4 Ų37.446%0.45519%0.193SC..Hα-helixtrans-72.1-22.9179.7-70.7-23.7000113.1K275 E276 N281 K415K275-N279 VanDerWaalsContact O-CG 3.23Å; K275-N279 PolarHBondContact O-N 3Å; K275-N279 PolarHBondContact O-ND2 3.34Å; E276-N279 PolarHBondContact O-N 2.98Å; E276-N279 VanDerWaalsContact O-N 3.16Å; N279-N281 VanDerWaalsContact C-N 3.3Å; N279-K415 PolarHBondContact OD1-NZ 3.23Å
280A96.3Very high96.8Very high19 Ų1935.1 Ų35.116%0.15718%0.181CC..THydrogen-bonded Turntrans-8813.1176.600000113.8R242 V245 E276 I277 I278 G282R242-A280 HydrophobicContact CB-CB 4.28Å; R242-A280 HydrophobicContact CG-CB 4.14Å; V245-A280 HydrophobicContact CB-CB 3.97Å; V245-A280 HydrophobicContact CG1-CB 4.15Å; V245-A280 WeakPolarHBondContact CG1-O 3.45Å; V245-A280 HydrophobicContact CG2-CB 4.04Å; E276-A280 WeakPolarHBondContact O-CB 3.42Å; E276-A280 PolarHBondContact O-N 3.21Å; I277-A280 PolarHBondContact O-N 2.86Å; I278-A280 VanDerWaalsContact C-N 3.28Å; I278-A280 PolarHBondContact O-N 2.77Å; A280-G282 PolarHBondContact O-N 3Å
281N96Very high96.7Very high104 Ų10433.1 Ų33.156%0.55617%0.171SC*.THydrogen-bonded Turntrans56.830.6-173.7-54.6-23.5000113.2I278 N279 L283 E284I278-N281 PolarHBondContact O-N 3.48Å; N279-N281 VanDerWaalsContact C-N 3.3Å; N281-L283 VanDerWaalsContact C-N 3.26Å; N281-L283 PolarHBondContact O-N 3.25Å; N281-E284 VanDerWaalsContact C-OE2 3.25Å; N281-E284 VanDerWaalsContact CA-OE2 3.3Å; N281-E284 WeakPolarHBondContact CA-OE2 3.2Å
282G97.1Very high96.6Very high3 Ų329.3 Ų29.33%0.03116%0.155CC..Hα-helixtrans-71.3-20.2-178.800000113.2I277 A280 L286I277-G282 WeakPolarHBondContact O-CA 3.44Å; I277-G282 PolarHBondContact O-N 3.41Å; A280-G282 PolarHBondContact O-N 3Å; G282-L286 WeakPolarHBondContact O-CB 3.43Å; G282-L286 WeakPolarHBondContact O-CD1 3.49Å; G282-L286 WeakPolarHBondContact O-CG 3.25Å; G282-L286 PolarHBondContact O-N 3.23Å
283L98.2Very high96.4Very high0 Ų027.2 Ų27.20%014%0.138CC..Hα-helixtrans-73.6-43.9-178.9-62.5-171.4000111.6I278 N281 L285 L286 V287 L393 I396 V416 I419 L420I278-L283 HydrophobicContact CG1-CD1 4.02Å; I278-L283 HydrophobicContact CG1-CD2 4.37Å; I278-L283 HydrophobicContact CG1-CG 4.21Å; I278-L283 HydrophobicContact CG2-CD1 4.35Å; N281-L283 VanDerWaalsContact C-N 3.26Å; N281-L283 PolarHBondContact O-N 3.25Å; L283-L285 VanDerWaalsContact C-N 3.33Å; L283-L286 WeakPolarHBondContact O-CB 3.28Å; L283-L286 PolarHBondContact O-N 3.12Å; L283-V287 WeakPolarHBondContact O-CG2 3.48Å; L283-V287 PolarHBondContact O-N 3.41Å; L283-L393 HydrophobicContact CD2-CD2 4.03Å; L283-I396 HydrophobicContact CD2-CD1 4.03Å; L283-I396 HydrophobicContact CD2-CG2 4.17Å; L283-V416 HydrophobicContact CD1-CB 4.26Å; L283-V416 HydrophobicContact CD1-CG1 4.01Å; L283-V416 HydrophobicContact CD1-CG2 4.32Å; L283-I419 HydrophobicContact CB-CG2 3.98Å; L283-I419 HydrophobicContact CD1-CB 4.2Å; L283-I419 HydrophobicContact CD1-CD1 4.19Å; L283-I419 HydrophobicContact CD1-CG2 4.16Å; L283-L420 HydrophobicContact CB-CD2 4.13Å; L283-L420 HydrophobicContact CD1-CD2 4.47Å; L283-L420 HydrophobicContact CD1-CG 4.24Å
284E96.7Very high96.1Very high52 Ų5227.8 Ų27.824%0.24314%0.14CC..Hα-helixtrans-60.1-46.1176.5-62.786.3161.700110N281 L286 V287 E288 I419N281-E284 VanDerWaalsContact C-OE2 3.25Å; N281-E284 VanDerWaalsContact CA-OE2 3.3Å; N281-E284 WeakPolarHBondContact CA-OE2 3.2Å; E284-L286 VanDerWaalsContact C-N 3.33Å; E284-L286 PolarHBondContact O-N 3.02Å; E284-V287 PolarHBondContact O-N 3.28Å; E284-E288 WeakPolarHBondContact O-CB 3.45Å; E284-E288 PolarHBondContact O-N 3.19Å; E284-I419 VanDerWaalsContact CD-CG2 3.5Å; E284-I419 HydrophobicContact CG-CG2 4.06Å; E284-I419 VanDerWaalsContact OE1-CG2 3.26Å; E284-I419 WeakPolarHBondContact OE1-CG2 3.31Å
285L95.9Very high95.7Very high14 Ų1429 Ų297%0.07315%0.147CC..Hα-helixtrans-59.6-41175.1-17666.2000112.6V245 L248 L283 E288 L289 W370V245-L285 HydrophobicContact CG1-CD2 3.96Å; L248-L285 HydrophobicContact CB-CD2 4.08Å; L248-L285 HydrophobicContact CD2-CD2 3.82Å; L248-L285 HydrophobicContact CG-CD2 3.9Å; L283-L285 VanDerWaalsContact C-N 3.33Å; L285-E288 PolarHBondContact O-N 3.02Å; L285-L289 HydrophobicContact CG-CD1 4.38Å; L285-L289 WeakPolarHBondContact O-CB 3.36Å; L285-L289 WeakPolarHBondContact O-CG 3.41Å; L285-L289 PolarHBondContact O-N 3.01Å; L285-W370 HydrophobicContact CD1-CH2 3.69Å; L285-W370 HydrophobicContact CD1-CZ2 4.34Å
286L98Very high95Very high4 Ų424.6 Ų24.62%0.02113%0.129CC..Hα-helixtrans-65.5-43.8176.3-74.7171.5000111.3L261 G282 L283 E284 E288 L289 A290 I389 L392 L393 I396L261-L286 HydrophobicContact CD1-CD2 3.49Å; L261-L286 VanDerWaalsContact CD1-CD2 3.49Å; G282-L286 WeakPolarHBondContact O-CB 3.43Å; G282-L286 WeakPolarHBondContact O-CD1 3.49Å; G282-L286 WeakPolarHBondContact O-CG 3.25Å; G282-L286 PolarHBondContact O-N 3.23Å; L283-L286 WeakPolarHBondContact O-CB 3.28Å; L283-L286 PolarHBondContact O-N 3.12Å; E284-L286 VanDerWaalsContact C-N 3.33Å; E284-L286 PolarHBondContact O-N 3.02Å; L286-E288 VanDerWaalsContact C-N 3.32Å; L286-E288 PolarHBondContact O-N 3.08Å; L286-L289 PolarHBondContact O-N 2.94Å; L286-A290 WeakPolarHBondContact O-CB 3.45Å; L286-A290 PolarHBondContact O-N 3.23Å; L286-I389 HydrophobicContact CB-CG2 3.83Å; L286-I389 HydrophobicContact CD2-CD1 4.36Å; L286-I389 HydrophobicContact CD2-CG1 3.98Å; L286-I389 HydrophobicContact CD2-CG2 4.19Å; L286-I389 WeakPolarHBondContact O-CG2 3.14Å; L286-L392 HydrophobicContact CD1-CD2 3.92Å; L286-L392 HydrophobicContact CD1-CG 4.38Å; L286-L392 HydrophobicContact CD2-CD2 4.01Å; L286-L393 HydrophobicContact CB-CD2 4.15Å; L286-L393 HydrophobicContact CD1-CD2 3.95Å; L286-I396 HydrophobicContact CD1-CD1 4.42Å
287V97.8Very high93.6Very high7 Ų731.7 Ų31.74%0.04215%0.151CC..Hα-helixtrans-62.7-41.8176.1177.20000110.9L283 E284 L289 A290 S291 L393 L420 C425 H428 I429L283-V287 WeakPolarHBondContact O-CG2 3.48Å; L283-V287 PolarHBondContact O-N 3.41Å; E284-V287 PolarHBondContact O-N 3.28Å; V287-L289 PolarHBondContact O-N 3.12Å; V287-A290 PolarHBondContact O-N 3.38Å; V287-S291 PolarHBondContact O-N 2.88Å; V287-L393 HydrophobicContact CG2-CD1 4.17Å; V287-L420 HydrophobicContact CG2-CD2 3.77Å; V287-C425 HydrophobicContact CG1-CB 4.48Å; V287-C425 HydrophobicContact CG2-CB 4.23Å; V287-H428 HydrophobicContact CG1-CB 3.82Å; V287-I429 HydrophobicContact CG1-CG1 4.01Å; V287-I429 HydrophobicContact CG2-CD1 4.1Å; V287-I429 HydrophobicContact CG2-CG1 4.04Å
288E94.7Very high92.1Very high49 Ų4940.6 Ų40.623%0.22919%0.19CC..Hα-helixtrans-59.2-47.1175.6-173.8174.2-142.500111.6E284 L285 L286 A290 S291 A366 W370 Q572E284-E288 WeakPolarHBondContact O-CB 3.45Å; E284-E288 PolarHBondContact O-N 3.19Å; L285-E288 PolarHBondContact O-N 3.02Å; L286-E288 VanDerWaalsContact C-N 3.32Å; L286-E288 PolarHBondContact O-N 3.08Å; E288-A290 PolarHBondContact O-N 2.69Å; E288-S291 WeakPolarHBondContact O-CB 3.06Å; E288-S291 PolarHBondContact O-N 3.18Å; E288-S291 PolarHBondContact O-OG 3.17Å; E288-A366 HydrophobicContact CG-CB 3.49Å; E288-A366 VanDerWaalsContact CG-CB 3.49Å; E288-A366 WeakPolarHBondContact OE1-CB 3.3Å; E288-W370 HydrophobicContact CG-CZ3 4.49Å; E288-Q572 PolarHBondContact OE1-NE2 2.63Å
289L94.9Very high90.7Very high10 Ų1042.9 Ų42.95%0.05220%0.198CC..Hα-helixtrans-63.3-38.8174.9-79.4166.9000112.9L248 L285 L286 V287 S291 L292 W370 I389L248-L289 HydrophobicContact CD1-CD1 4.45Å; L248-L289 HydrophobicContact CD2-CD1 3.94Å; L248-L289 HydrophobicContact CG-CD1 4.29Å; L285-L289 HydrophobicContact CG-CD1 4.38Å; L285-L289 WeakPolarHBondContact O-CB 3.36Å; L285-L289 WeakPolarHBondContact O-CG 3.41Å; L285-L289 PolarHBondContact O-N 3.01Å; L286-L289 PolarHBondContact O-N 2.94Å; V287-L289 PolarHBondContact O-N 3.12Å; L289-S291 VanDerWaalsContact C-N 3.3Å; L289-S291 PolarHBondContact O-N 2.86Å; L289-L292 HydrophobicContact CD2-CD1 4.06Å; L289-L292 WeakPolarHBondContact O-CB 3.41Å; L289-L292 WeakPolarHBondContact O-CG 3.44Å; L289-L292 PolarHBondContact O-N 2.8Å; L289-W370 HydrophobicContact CD1-CH2 4.17Å; L289-W370 HydrophobicContact CD2-CD2 3.84Å; L289-W370 HydrophobicContact CD2-CE3 3.51Å; L289-W370 HydrophobicContact CD2-CH2 3.37Å; L289-W370 HydrophobicContact CD2-CZ2 3.78Å; L289-W370 HydrophobicContact CD2-CZ3 3.22Å; L289-W370 HydrophobicContact CG-CE3 4.36Å; L289-W370 HydrophobicContact CG-CH2 3.53Å; L289-W370 HydrophobicContact CG-CZ2 4.27Å; L289-W370 HydrophobicContact CG-CZ3 3.58Å; L289-I389 HydrophobicContact CB-CD1 3.39Å; L289-I389 HydrophobicContact CD1-CD1 4.46Å
290A96.8Very high88.7Confident2 Ų248.3 Ų48.32%0.01722%0.218CC..Hα-helixtrans-65.7-34.6177.300000111.8L286 V287 E288 L292 A293 A386 I389 L432L286-A290 WeakPolarHBondContact O-CB 3.45Å; L286-A290 PolarHBondContact O-N 3.23Å; V287-A290 PolarHBondContact O-N 3.38Å; E288-A290 PolarHBondContact O-N 2.69Å; A290-L292 PolarHBondContact O-N 2.83Å; A290-A293 WeakPolarHBondContact O-CB 3.06Å; A290-A293 PolarHBondContact O-N 2.87Å; A290-A293 VanDerWaalsContact O-N 3.13Å; A290-A386 HydrophobicContact CB-CB 4.33Å; A290-I389 HydrophobicContact CB-CB 4.25Å; A290-I389 HydrophobicContact CB-CD1 4.29Å; A290-I389 HydrophobicContact CB-CG2 3.93Å; A290-L432 HydrophobicContact CB-CD1 4.3Å; A290-L432 WeakPolarHBondContact O-CD2 3.3Å
291S95.6Very high86.7Confident3 Ų352.1 Ų52.12%0.02123%0.232CC..Hα-helixtrans-63-23.2178.479.40000113.2V287 E288 L289 A293 H294 V571V287-S291 PolarHBondContact O-N 2.88Å; E288-S291 WeakPolarHBondContact O-CB 3.06Å; E288-S291 PolarHBondContact O-N 3.18Å; E288-S291 PolarHBondContact O-OG 3.17Å; L289-S291 VanDerWaalsContact C-N 3.3Å; L289-S291 PolarHBondContact O-N 2.86Å; S291-A293 PolarHBondContact O-N 2.72Å; S291-A293 VanDerWaalsContact O-N 3.07Å; S291-H294 PolarHBondContact O-CD2 3.42Å; S291-H294 PolarHBondContact O-N 3.27Å; S291-H294 VanDerWaalsContact O-N 3.12Å; S291-V571 WeakPolarHBondContact OG-CG2 3.28Å
292L93.2Very high84.8Confident11 Ų1151 Ų516%0.05822%0.223CC..G310 helixtrans-62.3-15.8175-56.9178.9000113.1L289 A290 H294 L295 Q367 W370 V571L289-L292 HydrophobicContact CD2-CD1 4.06Å; L289-L292 WeakPolarHBondContact O-CB 3.41Å; L289-L292 WeakPolarHBondContact O-CG 3.44Å; L289-L292 PolarHBondContact O-N 2.8Å; A290-L292 PolarHBondContact O-N 2.83Å; L292-H294 PolarHBondContact O-N 3.29Å; L292-L295 HydrophobicContact CD2-CD1 3.95Å; L292-L295 WeakPolarHBondContact O-CB 3.38Å; L292-L295 PolarHBondContact O-N 3.24Å; L292-Q367 HydrophobicContact CD2-CB 4.24Å; L292-W370 HydrophobicContact CD1-CB 4.21Å; L292-W370 HydrophobicContact CD1-CD2 4.42Å; L292-W370 HydrophobicContact CD1-CE3 3.7Å; L292-W370 HydrophobicContact CD1-CZ3 4.39Å; L292-V571 HydrophobicContact CD2-CG2 4.41Å
293A93.5Very high82.4Confident0 Ų055.8 Ų55.80%025%0.251CS..G310 helixtrans-56.7-20.6172.100000113A290 S291 L295 R299 A386 T435 I440A290-A293 WeakPolarHBondContact O-CB 3.06Å; A290-A293 PolarHBondContact O-N 2.87Å; A290-A293 VanDerWaalsContact O-N 3.13Å; S291-A293 PolarHBondContact O-N 2.72Å; S291-A293 VanDerWaalsContact O-N 3.07Å; A293-L295 PolarHBondContact O-N 3.49Å; A293-R299 PolarHBondContact O-NH1 3.4Å; A293-R299 VanDerWaalsContact O-NH1 3.15Å; A293-R299 PolarHBondContact O-NH2 2.94Å; A293-A386 HydrophobicContact CB-CB 3.64Å; A293-T435 HydrophobicContact CB-CG2 4.02Å; A293-I440 HydrophobicContact CB-CD1 3.87Å
294H91.6Very high80Confident11 Ų1157.6 Ų57.65%0.05126%0.262CS..G310 helixtrans-68.4-15.2172.8-67.6-63.3000114S291 L292 Q431 L567 V571S291-H294 PolarHBondContact O-CD2 3.42Å; S291-H294 PolarHBondContact O-N 3.27Å; S291-H294 VanDerWaalsContact O-N 3.12Å; L292-H294 PolarHBondContact O-N 3.29Å; H294-Q431 PolarHBondContact CE1-O 3.04Å; H294-Q431 PolarHBondContact NE2-O 2.96Å; H294-L567 HydrophobicContact CB-CB 4.17Å; H294-V571 HydrophobicContact CB-CG1 4.06Å
295L88Confident77.2Confident26 Ų2663.4 Ų63.414%0.13629%0.289CS..G310 helixtrans-98.1-2.1-176.4-52.6175.8000114L292 A293 R297 Q367 T371 P568 V571L292-L295 HydrophobicContact CD2-CD1 3.95Å; L292-L295 WeakPolarHBondContact O-CB 3.38Å; L292-L295 PolarHBondContact O-N 3.24Å; A293-L295 PolarHBondContact O-N 3.49Å; L295-R297 PolarHBondContact O-N 2.76Å; L295-Q367 HydrophobicContact CD1-CG 3.68Å; L295-T371 HydrophobicContact CD1-CG2 3.83Å; L295-P568 WeakPolarHBondContact CD2-O 3.36Å; L295-V571 HydrophobicContact CD1-CG1 3.99Å; L295-V571 HydrophobicContact CD2-CG1 3.75Å; L295-V571 HydrophobicContact CG-CG1 3.71Å
296D82.8Confident74.5Confident18 Ų1867.1 Ų67.110%0.09631%0.313CS..  trans-63.6105.2-177-166.7-25.3000111K298 R299 E382 T383D296-K298 PolarHBondContact O-N 2.82Å; D296-K298 PolarHBondContact OD1-N 3.02Å; D296-K298 VanDerWaalsContact OD1-N 3.1Å; D296-R299 WeakPolarHBondContact O-CB 3.07Å; D296-R299 PolarHBondContact O-N 3.22Å; D296-E382 HydrophobicContact CB-CB 4.29Å; D296-T383 VanDerWaalsContact OD2-CB 3.26Å; D296-T383 WeakPolarHBondContact OD2-CB 3.35Å; D296-T383 PolarHBondContact OD2-N 3.32Å; D296-T383 PolarHBondContact OD2-OG1 3.16Å
297R67.6Low71.6Confident241 Ų24175.3 Ų75.391%0.90936%0.356SS*.THydrogen-bonded Turntrans-67.9-18.8-175.7-63.2-175.7-177.7-178.30.6113.7L295 R299L295-R297 PolarHBondContact O-N 2.76Å; R297-R299 PolarHBondContact O-N 3.26Å
298K65.8Low68.9Low189 Ų18980.1 Ų80.182%0.82239%0.385SS*.THydrogen-bonded Turntrans-76.6-8.7179.6-65.4-177.7-179.41770112.2D296D296-K298 PolarHBondContact O-N 2.82Å; D296-K298 PolarHBondContact OD1-N 3.02Å; D296-K298 VanDerWaalsContact OD1-N 3.1Å
299R66.8Low66.1Low52 Ų5285.4 Ų85.420%0.19641%0.414CS..SBendtrans-70.4131.2179.7-172.7177.4-65140.610.6111A293 D296 R297 Q301 T435 E437A293-R299 PolarHBondContact O-NH1 3.4Å; A293-R299 VanDerWaalsContact O-NH1 3.15Å; A293-R299 PolarHBondContact O-NH2 2.94Å; D296-R299 WeakPolarHBondContact O-CB 3.07Å; D296-R299 PolarHBondContact O-N 3.22Å; R297-R299 PolarHBondContact O-N 3.26Å; R299-Q301 PolarHBondContact O-N 3.21Å; R299-T435 WeakPolarHBondContact CD-O 3.38Å; R299-T435 PolarHBondContact NE-O 2.9Å; R299-T435 VanDerWaalsContact NE-O 3.13Å; R299-E437 IonicContact NE-OE1 3.83Å; R299-E437 PolarHBondContact NE-OE1 3.07Å
300K56Low63.4Low200 Ų20093.4 Ų93.487%0.8745%0.451SS*.  trans-66.9113.9162.7-70.4-175.6178.6-177.70107.7F302K300-F302 PolarHBondContact O-N 2.7Å
301Q54.7Low60.7Low98 Ų9899.4 Ų99.446%0.45848%0.477SS..  trans-57.5138.6176-74.6-179.9-20.500110R299 V303R299-Q301 PolarHBondContact O-N 3.21Å; Q301-V303 PolarHBondContact O-N 2.74Å
302F54.3Low57.8Low82 Ų82102 Ų10236%0.3650%0.495SS..  trans-68.296172.1-178.9-102.4000108.2K300 V304 F436 M472 I553 A557K300-F302 PolarHBondContact O-N 2.7Å; F302-V304 HydrophobicContact CD1-CG2 3.94Å; F302-V304 HydrophobicContact CE1-CG2 3.18Å; F302-V304 HydrophobicContact CZ-CG2 3.65Å; F302-F436 HydrophobicContact CB-CD2 4.14Å; F302-F436 HydrophobicContact CB-CE2 4.19Å; F302-F436 HydrophobicContact CG-CD2 4.49Å; F302-F436 HydrophobicContact CG-CE2 4.34Å; F302-M472 HydrophobicContact CE1-CE 4.2Å; F302-I553 HydrophobicContact CZ-CG2 3.83Å; F302-A557 HydrophobicContact CE1-CB 4.46Å
303V48.7Very low55.5Low103 Ų103111.3 Ų111.362%0.62454%0.535SS*.  trans-95.1104.8170.2-177.10000106.1Q301 E305Q301-V303 PolarHBondContact O-N 2.74Å; V303-E305 PolarHBondContact O-N 3.14Å
304V47.6Very low52.8Low37 Ų37119.9 Ų119.922%0.22458%0.575CS.*  trans-66.4113.5155.3-1750000104F302 T306 E554 A557F302-V304 HydrophobicContact CD1-CG2 3.94Å; F302-V304 HydrophobicContact CE1-CG2 3.18Å; F302-V304 HydrophobicContact CZ-CG2 3.65Å; V304-T306 HydrophobicContact CG1-CG2 4.06Å; V304-T306 PolarHBondContact O-N 3.46Å; V304-E554 HydrophobicContact CG1-CG 3.83Å; V304-A557 HydrophobicContact CG2-CB 4.22Å
305E36.8Very low50.4Low175 Ų175123.5 Ų123.582%0.81860%0.595SS**  trans-64.174.9170.2-70.8179.7173.100108.3V303V303-E305 PolarHBondContact O-N 3.14Å
306T39.1Very low48.3Very low92 Ų92127.3 Ų127.356%0.56462%0.615SS**  trans-72.8125.8160.749.30000105.8V304 V308V304-T306 HydrophobicContact CG1-CG2 4.06Å; V304-T306 PolarHBondContact O-N 3.46Å; T306-V308 PolarHBondContact O-N 2.74Å
307N38.2Very low46.5Very low175 Ų175131.8 Ų131.894%0.93663%0.631SS**  trans-64.330.1172.4-71.8-27.3000113.3
308V40.9Very low45.4Very low108 Ų108122.7 Ų122.766%0.65561%0.605SS**SBendtrans-95.3117.2177.4-179.90000106.3T306 E310T306-V308 PolarHBondContact O-N 2.74Å; V308-E310 PolarHBondContact O-N 2.98Å
309I35.7Very low44.6Very low160 Ų160116.2 Ų116.282%0.82158%0.583SS**  trans-1.6108.6171.9-56172.5000112.4F311I309-F311 PolarHBondContact O-N 3.04Å
310E37.4Very low44Very low179 Ų179114.5 Ų114.584%0.83658%0.58SS**  trans-43.2112.2177.8-67.3-177.7176.700109.9V308 S312V308-E310 PolarHBondContact O-N 2.98Å; E310-S312 PolarHBondContact O-N 2.95Å; E310-S312 VanDerWaalsContact O-N 3.1Å
311F40Very low44.7Very low127 Ų127112.8 Ų112.856%0.55757%0.572SS**  trans-52118.6166.1-169.7-108.3000106.5I309 K313 D315I309-F311 PolarHBondContact O-N 3.04Å; F311-K313 PolarHBondContact O-N 3.36Å; F311-D315 HydrophobicContact CD1-CB 4.39Å; F311-D315 HydrophobicContact CE1-CB 3.64Å; F311-D315 WeakPolarHBondContact CE1-O 3.18Å; F311-D315 HydrophobicContact CE2-CB 4.32Å; F311-D315 HydrophobicContact CZ-CB 3.58Å
312S35.3Very low45.9Very low57 Ų57109.5 Ų109.540%0.39956%0.557SS.*  trans-50.6128.6-174.236.30000109.1E310 E314 D315E310-S312 PolarHBondContact O-N 2.95Å; E310-S312 VanDerWaalsContact O-N 3.1Å; S312-E314 PolarHBondContact O-N 3.27Å; S312-D315 PolarHBondContact O-N 3.2Å
313K45Very low47.4Very low207 Ų207105.8 Ų105.890%0.954%0.54SS*.THydrogen-bonded Turntrans-54.8-10.5171.9-72-179.5178.5172.30113.4F311F311-K313 PolarHBondContact O-N 3.36Å
314E37.6Very low49.2Very low180 Ų180103.6 Ų103.684%0.84152%0.523SS*.THydrogen-bonded Turntrans-82.3-25.8176-64-172.1165.100113.7S312 D316S312-E314 PolarHBondContact O-N 3.27Å; E314-D316 PolarHBondContact O-N 3.39Å
315D39.9Very low51Low88 Ų88103.4 Ų103.447%0.47152%0.518SS..SBendtrans-85.275.2171.3-77.4-30.9000108.4F311 S312 Y317F311-D315 HydrophobicContact CD1-CB 4.39Å; F311-D315 HydrophobicContact CE1-CB 3.64Å; F311-D315 WeakPolarHBondContact CE1-O 3.18Å; F311-D315 HydrophobicContact CE2-CB 4.32Å; F311-D315 HydrophobicContact CZ-CB 3.58Å; S312-D315 PolarHBondContact O-N 3.2Å; D315-Y317 PolarHBondContact O-N 3.31Å
316D43.9Very low53.2Low105 Ų10598.9 Ų98.956%0.56149%0.493SS*.  trans-48.7131.1174.4-162.419.6000109.7E314 S318 S319E314-D316 PolarHBondContact O-N 3.39Å; D316-S318 VanDerWaalsContact CB-OG 3.3Å; D316-S318 WeakPolarHBondContact CB-OG 3.05Å; D316-S318 PolarHBondContact O-N 2.86Å; D316-S318 WeakPolarHBondContact OD2-CB 3.46Å; D316-S318 PolarHBondContact OD2-OG 3Å; D316-S319 PolarHBondContact O-N 3.02Å; D316-S319 PolarHBondContact O-OG 3.38Å
317Y45.5Very low55.3Low112 Ų11296.3 Ų96.344%0.43948%0.476SS..THydrogen-bonded Turntrans-54.5-12.2176.2-90-88.1000112.4D315 S319D315-Y317 PolarHBondContact O-N 3.31Å; Y317-S319 PolarHBondContact O-N 3.3Å
318S44.5Very low57.2Low51 Ų5197.9 Ų97.936%0.35748%0.478SS..THydrogen-bonded Turntrans-63.4-5.8169.868.40000114.7D316 S320D316-S318 VanDerWaalsContact CB-OG 3.3Å; D316-S318 WeakPolarHBondContact CB-OG 3.05Å; D316-S318 PolarHBondContact O-N 2.86Å; D316-S318 WeakPolarHBondContact OD2-CB 3.46Å; D316-S318 PolarHBondContact OD2-OG 3Å; S318-S320 PolarHBondContact O-N 2.86Å
319S49.4Very low59Low52 Ų52100.4 Ų100.436%0.36448%0.48SS..  trans-70.569.4171.958.20000112.2D316 Y317 K321D316-S319 PolarHBondContact O-N 3.02Å; D316-S319 PolarHBondContact O-OG 3.38Å; Y317-S319 PolarHBondContact O-N 3.3Å; S319-K321 PolarHBondContact O-N 3.2Å
320S54.7Low61.1Low17 Ų1797.7 Ų97.712%0.11947%0.467CS..  trans-69.489.2-174.974.40000111.8S318 E322 P335 V336 S569S318-S320 PolarHBondContact O-N 2.86Å; S320-E322 PolarHBondContact O-N 2.85Å; S320-P335 WeakPolarHBondContact O-CB 3Å; S320-V336 PolarHBondContact OG-O 3.41Å; S320-S569 VanDerWaalsContact CB-OG 3.29Å; S320-S569 WeakPolarHBondContact CB-OG 3.49Å
321K68.9Low63.3Low163 Ų16394.2 Ų94.271%0.70945%0.451SS*.THydrogen-bonded Turntrans-61.7-4.9171.4-68.7-173.6-175.9172.80113.9S319 P335S319-K321 PolarHBondContact O-N 3.2Å; K321-P335 HydrophobicContact CB-CB 4.32Å; K321-P335 HydrophobicContact CB-CG 4.33Å; K321-P335 HydrophobicContact CG-CG 4.09Å
322E80.9Confident65.3Low29 Ų2992.3 Ų92.314%0.13644%0.444CS..THydrogen-bonded Turntrans-85-28-171.6-65.3-64.9133.300114.5S320 A353 R566 N570S320-E322 PolarHBondContact O-N 2.85Å; E322-A353 WeakPolarHBondContact O-CA 3.42Å; E322-A353 VanDerWaalsContact O-CB 3.27Å; E322-A353 WeakPolarHBondContact O-CB 3.44Å; E322-R566 VanDerWaalsContact CD-NE 3.3Å; E322-R566 HydrophobicContact CG-CB 4.49Å; E322-R566 WeakPolarHBondContact OE1-CG 3.49Å; E322-R566 IonicContact OE1-CZ 3.75Å; E322-R566 IonicContact OE1-NE 2.84Å; E322-R566 PolarHBondContact OE1-NE 3.35Å; E322-R566 IonicContact OE1-NH2 3.81Å; E322-R566 PolarHBondContact OE1-NH2 3.39Å; E322-R566 IonicContact OE2-CZ 3.61Å; E322-R566 IonicContact OE2-NE 3.72Å; E322-R566 PolarHBondContact OE2-NE 3.35Å; E322-R566 IonicContact OE2-NH2 2.72Å; E322-R566 PolarHBondContact OE2-NH2 2.98Å; E322-N570 HydrophobicContact CB-CB 3.8Å; E322-N570 HydrophobicContact CG-CB 3.86Å; E322-N570 PolarHBondContact OE2-ND2 3.35Å
323W85.4Confident67.4Low5 Ų592 Ų922%0.01944%0.439CS..  trans-107.8132.7-167.2-67101.4000112.4P335 V336 F351 A353 L356 I365 F368 S569 N570W323-P335 CarbonylContact O-C 3.56Å; W323-P335 WeakPolarHBondContact O-CA 3.34Å; W323-V336 HydrophobicContact CB-CB 4.38Å; W323-V336 PolarHBondContact O-N 3.43Å; W323-F351 HydrophobicContact CE3-CB 4.4Å; W323-F351 HydrophobicContact CE3-CD1 4.36Å; W323-A353 HydrophobicContact CD2-CB 3.84Å; W323-A353 HydrophobicContact CE3-CB 3.53Å; W323-A353 HydrophobicContact CH2-CB 4.02Å; W323-A353 HydrophobicContact CZ2-CB 4.3Å; W323-A353 HydrophobicContact CZ3-CB 3.63Å; W323-L356 HydrophobicContact CE3-CD1 4.48Å; W323-L356 HydrophobicContact CH2-CD1 3.76Å; W323-L356 HydrophobicContact CZ3-CD1 3.39Å; W323-I365 HydrophobicContact CH2-CD1 4.48Å; W323-I365 HydrophobicContact CH2-CG2 3.84Å; W323-I365 HydrophobicContact CZ3-CD1 3.9Å; W323-I365 HydrophobicContact CZ3-CG2 4.35Å; W323-F368 AromaticContact CD2-CE2 3.73Å; W323-F368 HydrophobicContact CD2-CE2 3.73Å; W323-F368 AromaticContact CD2-CZ 3.47Å; W323-F368 HydrophobicContact CD2-CZ 3.47Å; W323-F368 VanDerWaalsContact CD2-CZ 3.47Å; W323-F368 AromaticContact CE2-CE2 3.82Å; W323-F368 AromaticContact CE2-CZ 3.39Å; W323-F368 AromaticContact CE3-CE2 3.5Å; W323-F368 HydrophobicContact CE3-CE2 3.5Å; W323-F368 AromaticContact CE3-CZ 3.79Å; W323-F368 HydrophobicContact CE3-CZ 3.79Å; W323-F368 AromaticContact CG-CZ 3.98Å; W323-F368 HydrophobicContact CG-CZ 3.98Å; W323-F368 HydrophobicContact CH2-CD2 4.33Å; W323-F368 AromaticContact CH2-CE2 3.55Å; W323-F368 HydrophobicContact CH2-CE2 3.55Å; W323-F368 AromaticContact CH2-CZ 3.98Å; W323-F368 HydrophobicContact CH2-CZ 3.98Å; W323-F368 AromaticContact CZ2-CE2 3.76Å; W323-F368 HydrophobicContact CZ2-CE2 3.76Å; W323-F368 AromaticContact CZ2-CZ 3.68Å; W323-F368 HydrophobicContact CZ2-CZ 3.68Å; W323-F368 HydrophobicContact CZ3-CD2 4.35Å; W323-F368 AromaticContact CZ3-CE2 3.41Å; W323-F368 HydrophobicContact CZ3-CE2 3.41Å; W323-F368 VanDerWaalsContact CZ3-CE2 3.41Å; W323-F368 HydrophobicContact CZ3-CZ 4.02Å; W323-F368 AromaticContact NE1-CZ 3.79Å; W323-S569 PolarHBondContact NE1-O 3.21Å; W323-N570 HydrophobicContact CZ2-CB 4.28Å
324F86Confident68.7Low57 Ų5783.8 Ų83.825%0.2541%0.413CS..EExtended strand (participates in β ladder)trans-122.6143.1174.5-58.6-95.5000108.9E332 F351 R352 W359F324-E332 HydrophobicContact CB-CG 3.93Å; F324-E332 HydrophobicContact CD1-CG 3.95Å; F324-E332 WeakPolarHBondContact CD1-OE1 3.41Å; F324-E332 HydrophobicContact CG-CG 4.25Å; F324-E332 WeakPolarHBondContact CG-OE1 3.41Å; F324-F351 CarbonylContact O-C 3.58Å; F324-F351 VanDerWaalsContact O-CA 3.25Å; F324-F351 WeakPolarHBondContact O-CA 3.38Å; F324-R352 HydrophobicContact CB-CG 4Å; F324-R352 PolarHBondContact N-O 3.35Å; F324-R352 PolarHBondContact O-N 2.9Å; F324-W359 HydrophobicContact CB-CH2 4.45Å
325Y85.9Confident70Confident32 Ų3278.2 Ų78.213%0.12539%0.393CS..EExtended strand (participates in β ladder)trans-125.3158.4174.680-71.9000111.2N327 V333 V336 L339 I345 L350Y325-N327 HydrophobicContact CE2-CB 4.32Å; Y325-V333 HydrophobicContact CD1-CB 3.97Å; Y325-V333 HydrophobicContact CD1-CG1 4.31Å; Y325-V333 WeakPolarHBondContact CD1-O 3.44Å; Y325-V333 HydrophobicContact CE1-CB 3.48Å; Y325-V333 VanDerWaalsContact CE1-CB 3.48Å; Y325-V333 HydrophobicContact CE1-CG1 3.44Å; Y325-V333 VanDerWaalsContact CE1-CG1 3.44Å; Y325-V333 PolarHBondContact N-O 3.06Å; Y325-V333 PolarHBondContact O-N 2.77Å; Y325-V336 HydrophobicContact CD1-CG2 3.33Å; Y325-V336 HydrophobicContact CE1-CG2 4Å; Y325-V336 HydrophobicContact CG-CG2 4.22Å; Y325-L339 HydrophobicContact CE1-CD1 3.57Å; Y325-I345 HydrophobicContact CD1-CD1 4.17Å; Y325-I345 HydrophobicContact CD2-CD1 3.98Å; Y325-I345 HydrophobicContact CD2-CG1 4.26Å; Y325-I345 HydrophobicContact CE1-CD1 4.34Å; Y325-I345 HydrophobicContact CE2-CD1 4.2Å; Y325-I345 HydrophobicContact CE2-CG1 4.24Å; Y325-I345 HydrophobicContact CG-CD1 3.97Å; Y325-L350 CarbonylContact C-O 3.55Å; Y325-L350 WeakPolarHBondContact CA-O 3.43Å
326R84.1Confident71.1Confident80 Ų8074.6 Ų74.630%0.30237%0.374SS..EExtended strand (participates in β ladder)trans-88.7125.7169.9-77.3172.4174.5-138.33110.1D330 E331 L350 W359R326-D330 VanDerWaalsContact CD-OD1 3.25Å; R326-D330 WeakPolarHBondContact CD-OD1 3.45Å; R326-D330 IonicContact CZ-OD1 3.77Å; R326-D330 IonicContact NE-OD1 2.87Å; R326-D330 VanDerWaalsContact NH1-CG 3.29Å; R326-D330 IonicContact NH1-OD1 3.33Å; R326-D330 PolarHBondContact NH1-OD1 3.22Å; R326-D330 IonicContact NH1-OD2 3.53Å; R326-D330 PolarHBondContact NH1-OD2 3.46Å; R326-D330 VanDerWaalsContact NH1-OD2 3.14Å; R326-E331 WeakPolarHBondContact CA-O 3.17Å; R326-L350 HydrophobicContact CB-CB 4.42Å; R326-L350 PolarHBondContact N-O 3.22Å; R326-W359 HydrophobicContact CB-CZ3 4.43Å; R326-W359 HydrophobicContact CG-CD2 4.25Å; R326-W359 HydrophobicContact CG-CE3 3.94Å; R326-W359 HydrophobicContact CG-CH2 3.64Å; R326-W359 HydrophobicContact CG-CZ2 3.96Å; R326-W359 HydrophobicContact CG-CZ3 3.64Å; R326-W359 VanDerWaalsContact NE-CE2 3.32Å
327N81.9Confident71.7Confident38 Ų3877.4 Ų77.420%0.20338%0.381CS..  trans-77.7178.3171.471.78.8000111.4Y325 K329 D330 E331 V333Y325-N327 HydrophobicContact CE2-CB 4.32Å; N327-K329 PolarHBondContact O-N 2.72Å; N327-K329 VanDerWaalsContact O-N 3.12Å; N327-K329 WeakPolarHBondContact OD1-CA 3.48Å; N327-K329 WeakPolarHBondContact OD1-CB 3.42Å; N327-K329 PolarHBondContact OD1-N 3.05Å; N327-D330 PolarHBondContact O-N 3.44Å; N327-D330 PolarHBondContact OD1-N 2.92Å; N327-E331 PolarHBondContact N-O 2.93Å; N327-E331 VanDerWaalsContact N-O 3.08Å; N327-E331 PolarHBondContact ND2-OE2 3.17Å; N327-E331 VanDerWaalsContact ND2-OE2 3.08Å; N327-E331 WeakPolarHBondContact OD1-CB 3.14Å; N327-E331 PolarHBondContact OD1-N 3.41Å; N327-E331 PolarHBondContact OD1-O 3.1Å; N327-V333 HydrophobicContact CB-CG2 3.72Å; N327-V333 WeakPolarHBondContact ND2-CG2 3.3Å
328E78.1Confident72.1Confident209 Ų20975.6 Ų75.698%0.97738%0.384SS*.THydrogen-bonded Turntrans-61.6-18.5178.1-61.4-175.4160.700114D330E328-D330 VanDerWaalsContact C-N 3.33Å
329K80Confident72.5Confident161 Ų16175 Ų7570%0.738%0.377SS*.THydrogen-bonded Turntrans-91.37176.4-61.5-177.8-179.5176.90113.2N327 E331N327-K329 PolarHBondContact O-N 2.72Å; N327-K329 VanDerWaalsContact O-N 3.12Å; N327-K329 WeakPolarHBondContact OD1-CA 3.48Å; N327-K329 WeakPolarHBondContact OD1-CB 3.42Å; N327-K329 PolarHBondContact OD1-N 3.05Å; K329-E331 HydrophobicContact CB-CG 4.01Å; K329-E331 PolarHBondContact O-N 3.47Å
330D79.3Confident72.7Confident103 Ų10376.1 Ų76.155%0.55138%0.375SS*.SBendtrans60.922.6-174.1-151.934.7000114R326 N327 E328R326-D330 VanDerWaalsContact CD-OD1 3.25Å; R326-D330 WeakPolarHBondContact CD-OD1 3.45Å; R326-D330 IonicContact CZ-OD1 3.77Å; R326-D330 IonicContact NE-OD1 2.87Å; R326-D330 VanDerWaalsContact NH1-CG 3.29Å; R326-D330 IonicContact NH1-OD1 3.33Å; R326-D330 PolarHBondContact NH1-OD1 3.22Å; R326-D330 IonicContact NH1-OD2 3.53Å; R326-D330 PolarHBondContact NH1-OD2 3.46Å; R326-D330 VanDerWaalsContact NH1-OD2 3.14Å; N327-D330 PolarHBondContact O-N 3.44Å; N327-D330 PolarHBondContact OD1-N 2.92Å; E328-D330 VanDerWaalsContact C-N 3.33Å
331E82.6Confident72.8Confident105 Ų10580.5 Ų80.549%0.49141%0.406SS..  trans-89.2141.3174.5-57.9166.8159.300109.7R326 N327 K329 V333R326-E331 WeakPolarHBondContact CA-O 3.17Å; N327-E331 PolarHBondContact N-O 2.93Å; N327-E331 VanDerWaalsContact N-O 3.08Å; N327-E331 PolarHBondContact ND2-OE2 3.17Å; N327-E331 VanDerWaalsContact ND2-OE2 3.08Å; N327-E331 WeakPolarHBondContact OD1-CB 3.14Å; N327-E331 PolarHBondContact OD1-N 3.41Å; N327-E331 PolarHBondContact OD1-O 3.1Å; K329-E331 HydrophobicContact CB-CG 4.01Å; K329-E331 PolarHBondContact O-N 3.47Å; E331-V333 PolarHBondContact O-N 3.48Å
332E83Confident72.5Confident88 Ų8880 Ų8041%0.41141%0.406SS..EExtended strand (participates in β ladder)trans-72.3110.6173.1-179.6164.4154.500109.3F324 R352 W359F324-E332 HydrophobicContact CB-CG 3.93Å; F324-E332 HydrophobicContact CD1-CG 3.95Å; F324-E332 WeakPolarHBondContact CD1-OE1 3.41Å; F324-E332 HydrophobicContact CG-CG 4.25Å; F324-E332 WeakPolarHBondContact CG-OE1 3.41Å; E332-R352 IonicContact OE1-CZ 3.34Å; E332-R352 IonicContact OE1-NE 2.68Å; E332-R352 PolarHBondContact OE1-NE 3.32Å; E332-R352 VanDerWaalsContact OE1-NE 3.12Å; E332-R352 IonicContact OE1-NH2 3.45Å; E332-R352 PolarHBondContact OE1-NH2 3.42Å; E332-R352 IonicContact OE2-CZ 3.8Å; E332-R352 IonicContact OE2-NE 3.14Å; E332-R352 PolarHBondContact OE2-NE 2.96Å; E332-R352 VanDerWaalsContact OE2-NE 3.15Å; E332-R352 IonicContact OE2-NH2 2.76Å; E332-R352 PolarHBondContact OE2-NH2 3.19Å; E332-W359 HydrophobicContact CB-CH2 4.28Å; E332-W359 HydrophobicContact CB-CZ2 4.39Å; E332-W359 HydrophobicContact CG-CH2 3.96Å; E332-W359 HydrophobicContact CG-CZ2 4.26Å; E332-W359 WeakPolarHBondContact OE2-CZ2 3.48Å
333V78Confident71.7Confident49 Ų4981.7 Ų81.730%0.29743%0.431SS..EExtended strand (participates in β ladder)trans-108.1123.9176.3-176.70000108.3Y325 N327 E331Y325-V333 HydrophobicContact CD1-CB 3.97Å; Y325-V333 HydrophobicContact CD1-CG1 4.31Å; Y325-V333 WeakPolarHBondContact CD1-O 3.44Å; Y325-V333 HydrophobicContact CE1-CB 3.48Å; Y325-V333 VanDerWaalsContact CE1-CB 3.48Å; Y325-V333 HydrophobicContact CE1-CG1 3.44Å; Y325-V333 VanDerWaalsContact CE1-CG1 3.44Å; Y325-V333 PolarHBondContact N-O 3.06Å; Y325-V333 PolarHBondContact O-N 2.77Å; N327-V333 HydrophobicContact CB-CG2 3.72Å; N327-V333 WeakPolarHBondContact ND2-CG2 3.3Å; E331-V333 PolarHBondContact O-N 3.48Å
334G73.2Confident70.9Confident35 Ų3584 Ų8436%0.36146%0.457SS..  trans179.5174175.600000111.8
335P64.5Low70.4Confident64 Ų6482 Ų8242%0.41645%0.448SS..SBendcis-73.3144.4-1.522.9-27.5000114.5S320 K321 W323 K337S320-P335 WeakPolarHBondContact O-CB 3Å; K321-P335 HydrophobicContact CB-CB 4.32Å; K321-P335 HydrophobicContact CB-CG 4.33Å; K321-P335 HydrophobicContact CG-CG 4.09Å; W323-P335 CarbonylContact O-C 3.56Å; W323-P335 WeakPolarHBondContact O-CA 3.34Å; P335-K337 PolarHBondContact O-N 2.58Å
336V64.3Low70Confident11 Ų1184.6 Ų84.67%0.06747%0.465CS..  trans-72.2117.8-176.7-179.50000110.9S320 W323 Y325 C338 L339 I345 F351S320-V336 PolarHBondContact OG-O 3.41Å; W323-V336 HydrophobicContact CB-CB 4.38Å; W323-V336 PolarHBondContact O-N 3.43Å; Y325-V336 HydrophobicContact CD1-CG2 3.33Å; Y325-V336 HydrophobicContact CE1-CG2 4Å; Y325-V336 HydrophobicContact CG-CG2 4.22Å; V336-C338 PolarHBondContact O-N 3.23Å; V336-L339 HydrophobicContact CG1-CB 4.23Å; V336-L339 HydrophobicContact CG1-CD1 4.26Å; V336-L339 HydrophobicContact CG1-CG 4.29Å; V336-I345 HydrophobicContact CG1-CD1 4.28Å; V336-F351 HydrophobicContact CG2-CE1 4.09Å
337K56.2Low69.7Low165 Ų16583.1 Ų83.172%0.71747%0.467SS*.  trans-89.982.5165.9-66.1-178.6177.1-173.70108.4P335 L339P335-K337 PolarHBondContact O-N 2.58Å; K337-L339 VanDerWaalsContact C-N 3.33Å; K337-L339 PolarHBondContact O-N 2.95Å
338C52.5Low69.8Low74 Ų7484.2 Ų84.250%0.548%0.478SS..  trans35.450171.4-66.30000117.5V336 F340 S341V336-C338 PolarHBondContact O-N 3.23Å; C338-F340 PolarHBondContact O-N 2.67Å; C338-F340 VanDerWaalsContact O-N 3.11Å; C338-S341 PolarHBondContact O-OG 3.22Å
339L53.7Low70.1Confident37 Ų3775.2 Ų75.219%0.19444%0.438CS..THydrogen-bonded Turntrans-70.5-2.4-176.6-74.9169000115.3Y325 V336 K337 E342 G343 I345Y325-L339 HydrophobicContact CE1-CD1 3.57Å; V336-L339 HydrophobicContact CG1-CB 4.23Å; V336-L339 HydrophobicContact CG1-CD1 4.26Å; V336-L339 HydrophobicContact CG1-CG 4.29Å; K337-L339 VanDerWaalsContact C-N 3.33Å; K337-L339 PolarHBondContact O-N 2.95Å; L339-E342 HydrophobicContact CD2-CB 4.47Å; L339-E342 VanDerWaalsContact CD2-OE2 3.28Å; L339-E342 WeakPolarHBondContact CD2-OE2 3.29Å; L339-E342 PolarHBondContact O-N 3.42Å; L339-G343 PolarHBondContact O-N 3.22Å; L339-I345 HydrophobicContact CB-CD1 3.59Å; L339-I345 HydrophobicContact CB-CG1 3.91Å; L339-I345 HydrophobicContact CD1-CD1 4.08Å; L339-I345 HydrophobicContact CG-CD1 4.48Å
340F54.1Low70.6Confident76 Ų7670.4 Ų70.433%0.33342%0.419SS..THydrogen-bonded Turntrans-67.7-40.3-177.8-167.5-98000111.8C338 E342 G343 L362 L372C338-F340 PolarHBondContact O-N 2.67Å; C338-F340 VanDerWaalsContact O-N 3.11Å; F340-E342 PolarHBondContact O-N 2.99Å; F340-G343 PolarHBondContact O-N 2.96Å; F340-L362 HydrophobicContact CD2-CD2 3.85Å; F340-L362 HydrophobicContact CE2-CD2 3.75Å; F340-L372 HydrophobicContact CB-CD1 3.92Å; F340-L372 HydrophobicContact CB-CD2 3.81Å; F340-L372 HydrophobicContact CB-CG 4.24Å; F340-L372 HydrophobicContact CD1-CD1 3.5Å; F340-L372 VanDerWaalsContact CD1-CD1 3.5Å; F340-L372 HydrophobicContact CD1-CD2 4.15Å; F340-L372 HydrophobicContact CD1-CG 3.73Å; F340-L372 HydrophobicContact CD2-CD2 3.76Å; F340-L372 HydrophobicContact CD2-CG 4.14Å; F340-L372 HydrophobicContact CE1-CD1 4.14Å; F340-L372 HydrophobicContact CE1-CG 4.04Å; F340-L372 HydrophobicContact CE2-CD2 4.35Å; F340-L372 HydrophobicContact CE2-CG 4.43Å; F340-L372 HydrophobicContact CG-CD1 3.77Å; F340-L372 HydrophobicContact CG-CD2 3.64Å; F340-L372 HydrophobicContact CG-CG 3.77Å; F340-L372 HydrophobicContact CZ-CG 4.38Å
341S56.8Low71Confident110 Ų11065.9 Ų65.977%0.76940%0.395SS*.THydrogen-bonded Turntrans-69.1-23.9175.544.80000113.1C338 G343C338-S341 PolarHBondContact O-OG 3.22Å; S341-G343 VanDerWaalsContact C-N 3.28Å; S341-G343 PolarHBondContact O-N 3.41Å
342E61.5Low71.2Confident151 Ų15165.7 Ų65.771%0.70639%0.39SS*.THydrogen-bonded Turntrans-84.3-1.5179.2-62.1-173.9178.100112.8L339 F340 G344L339-E342 HydrophobicContact CD2-CB 4.47Å; L339-E342 VanDerWaalsContact CD2-OE2 3.28Å; L339-E342 WeakPolarHBondContact CD2-OE2 3.29Å; L339-E342 PolarHBondContact O-N 3.42Å; F340-E342 PolarHBondContact O-N 2.99Å; E342-G344 VanDerWaalsContact C-N 3.26Å; E342-G344 PolarHBondContact O-N 3.34Å
343G65.3Low71.5Confident65 Ų6562.1 Ų62.167%0.6738%0.375SS*.THydrogen-bonded Turntrans766.2175.400000115.1L339 F340 S341 I345L339-G343 PolarHBondContact O-N 3.22Å; F340-G343 PolarHBondContact O-N 2.96Å; S341-G343 VanDerWaalsContact C-N 3.28Å; S341-G343 PolarHBondContact O-N 3.41Å; G343-I345 VanDerWaalsContact C-N 3.29Å; G343-I345 PolarHBondContact O-N 2.95Å
344G68.8Low71.8Confident54 Ų5463.5 Ų63.556%0.55738%0.378SS*.SBendtrans-77.7-9.4179.500000114.8E342E342-G344 VanDerWaalsContact C-N 3.26Å; E342-G344 PolarHBondContact O-N 3.34Å
345I74.8Confident72.4Confident14 Ų1463.8 Ų63.87%0.07238%0.381CS..  trans-137.5138.3-170.6-57.3-170.4000109.5Y325 V336 L339 G343 S349 F351 L362Y325-I345 HydrophobicContact CD1-CD1 4.17Å; Y325-I345 HydrophobicContact CD2-CD1 3.98Å; Y325-I345 HydrophobicContact CD2-CG1 4.26Å; Y325-I345 HydrophobicContact CE1-CD1 4.34Å; Y325-I345 HydrophobicContact CE2-CD1 4.2Å; Y325-I345 HydrophobicContact CE2-CG1 4.24Å; Y325-I345 HydrophobicContact CG-CD1 3.97Å; V336-I345 HydrophobicContact CG1-CD1 4.28Å; L339-I345 HydrophobicContact CB-CD1 3.59Å; L339-I345 HydrophobicContact CB-CG1 3.91Å; L339-I345 HydrophobicContact CD1-CD1 4.08Å; L339-I345 HydrophobicContact CG-CD1 4.48Å; G343-I345 VanDerWaalsContact C-N 3.29Å; G343-I345 PolarHBondContact O-N 2.95Å; I345-S349 VanDerWaalsContact CG2-CB 3.49Å; I345-S349 WeakPolarHBondContact CG2-OG 3.44Å; I345-F351 HydrophobicContact CD1-CE1 4.25Å; I345-F351 HydrophobicContact CD1-CE2 4.38Å; I345-F351 HydrophobicContact CD1-CZ 3.53Å; I345-F351 HydrophobicContact CG2-CE2 3.45Å; I345-F351 VanDerWaalsContact CG2-CE2 3.45Å; I345-F351 HydrophobicContact CG2-CZ 3.51Å; I345-L362 HydrophobicContact CG2-CD2 4.41Å
346N78.1Confident73.4Confident87 Ų8762 Ų6247%0.46537%0.368SS..  trans-118.8176.917665.737.2000111.7S348 S349N346-S348 PolarHBondContact O-N 3.5Å; N346-S348 WeakPolarHBondContact OD1-CA 3.41Å; N346-S348 PolarHBondContact OD1-N 2.89Å; N346-S348 PolarHBondContact OD1-OG 3.43Å; N346-S349 PolarHBondContact N-OG 2.95Å; N346-S349 VanDerWaalsContact O-CB 3.28Å; N346-S349 WeakPolarHBondContact O-CB 3.5Å; N346-S349 PolarHBondContact O-N 2.96Å; N346-S349 VanDerWaalsContact O-N 3.12Å; N346-S349 PolarHBondContact O-OG 3.22Å; N346-S349 PolarHBondContact OD1-N 3.37Å; N346-S349 PolarHBondContact OD1-OG 3.22Å
347S77.8Confident74.4Confident50 Ų5068.5 Ų68.535%0.3540%0.398SS..THydrogen-bonded Turntrans-61.2-26.7-178.160.70000113.9L362 E363S347-L362 WeakPolarHBondContact O-CB 3.33Å; S347-L362 PolarHBondContact O-N 2.85Å; S347-E363 PolarHBondContact O-N 2.88Å
348S84Confident75.9Confident61 Ų6162.6 Ų62.643%0.42738%0.384SS..THydrogen-bonded Turntrans-87.1-8.8179.568.60000114.1N346 L350N346-S348 PolarHBondContact O-N 3.5Å; N346-S348 WeakPolarHBondContact OD1-CA 3.41Å; N346-S348 PolarHBondContact OD1-N 2.89Å; N346-S348 PolarHBondContact OD1-OG 3.43Å; S348-L350 PolarHBondContact O-N 3.48Å
349S84.5Confident77.6Confident20 Ų2062.4 Ų62.414%0.1437%0.373CS..  trans-58.9137.5178-64.40000110.6I345 N346 F351 R361 L362I345-S349 VanDerWaalsContact CG2-CB 3.49Å; I345-S349 WeakPolarHBondContact CG2-OG 3.44Å; N346-S349 PolarHBondContact N-OG 2.95Å; N346-S349 VanDerWaalsContact O-CB 3.28Å; N346-S349 WeakPolarHBondContact O-CB 3.5Å; N346-S349 PolarHBondContact O-N 2.96Å; N346-S349 VanDerWaalsContact O-N 3.12Å; N346-S349 PolarHBondContact O-OG 3.22Å; N346-S349 PolarHBondContact OD1-N 3.37Å; N346-S349 PolarHBondContact OD1-OG 3.22Å; S349-F351 WeakPolarHBondContact O-CD2 3.47Å; S349-R361 WeakPolarHBondContact O-CA 3.32Å; S349-L362 PolarHBondContact O-N 2.95Å
350L88.6Confident79.4Confident60 Ų6064 Ų6431%0.31438%0.378SS..EExtended strand (participates in β ladder)trans-88128.5-177.5-67175000110.6Y325 R326 S348 W359 K360 R361Y325-L350 CarbonylContact C-O 3.55Å; Y325-L350 WeakPolarHBondContact CA-O 3.43Å; R326-L350 HydrophobicContact CB-CB 4.42Å; R326-L350 PolarHBondContact N-O 3.22Å; S348-L350 PolarHBondContact O-N 3.48Å; L350-W359 HydrophobicContact CB-CE3 4.11Å; L350-K360 CarbonylContact C-O 3.57Å; L350-K360 WeakPolarHBondContact CA-O 3.12Å; L350-R361 HydrophobicContact CD2-CG 3.86Å
351F87.9Confident81.1Confident8 Ų866.3 Ų66.34%0.03539%0.385CS..EExtended strand (participates in β ladder)trans-122.9152.1179.5-78.7-100.1000111.5W323 F324 V336 I345 S349 W359 K360 L362 I365 F368W323-F351 HydrophobicContact CE3-CB 4.4Å; W323-F351 HydrophobicContact CE3-CD1 4.36Å; F324-F351 CarbonylContact O-C 3.58Å; F324-F351 VanDerWaalsContact O-CA 3.25Å; F324-F351 WeakPolarHBondContact O-CA 3.38Å; V336-F351 HydrophobicContact CG2-CE1 4.09Å; I345-F351 HydrophobicContact CD1-CE1 4.25Å; I345-F351 HydrophobicContact CD1-CE2 4.38Å; I345-F351 HydrophobicContact CD1-CZ 3.53Å; I345-F351 HydrophobicContact CG2-CE2 3.45Å; I345-F351 VanDerWaalsContact CG2-CE2 3.45Å; I345-F351 HydrophobicContact CG2-CZ 3.51Å; S349-F351 WeakPolarHBondContact O-CD2 3.47Å; F351-W359 WeakPolarHBondContact O-CA 3.4Å; F351-K360 PolarHBondContact N-O 3.18Å; F351-K360 PolarHBondContact O-N 2.57Å; F351-L362 HydrophobicContact CD2-CB 4.05Å; F351-L362 HydrophobicContact CD2-CD1 3.73Å; F351-L362 HydrophobicContact CD2-CG 4.48Å; F351-L362 HydrophobicContact CE1-CD1 4.38Å; F351-L362 HydrophobicContact CE2-CB 4.06Å; F351-L362 HydrophobicContact CE2-CD1 3.49Å; F351-L362 VanDerWaalsContact CE2-CD1 3.49Å; F351-L362 HydrophobicContact CE2-CG 4.23Å; F351-L362 HydrophobicContact CG-CD1 4.28Å; F351-L362 HydrophobicContact CZ-CD1 3.82Å; F351-I365 HydrophobicContact CB-CD1 3.69Å; F351-F368 HydrophobicContact CD1-CE2 4.47Å
352R88.4Confident82.4Confident101 Ų10161.1 Ų61.138%0.38135%0.348SS..EExtended strand (participates in β ladder)trans-139.3155.3165.373.2172.7-158.4137.93.2110.7F324 E332 W359F324-R352 HydrophobicContact CB-CG 4Å; F324-R352 PolarHBondContact N-O 3.35Å; F324-R352 PolarHBondContact O-N 2.9Å; E332-R352 IonicContact OE1-CZ 3.34Å; E332-R352 IonicContact OE1-NE 2.68Å; E332-R352 PolarHBondContact OE1-NE 3.32Å; E332-R352 VanDerWaalsContact OE1-NE 3.12Å; E332-R352 IonicContact OE1-NH2 3.45Å; E332-R352 PolarHBondContact OE1-NH2 3.42Å; E332-R352 IonicContact OE2-CZ 3.8Å; E332-R352 IonicContact OE2-NE 3.14Å; E332-R352 PolarHBondContact OE2-NE 2.96Å; E332-R352 VanDerWaalsContact OE2-NE 3.15Å; E332-R352 IonicContact OE2-NH2 2.76Å; E332-R352 PolarHBondContact OE2-NH2 3.19Å; R352-W359 HydrophobicContact CB-CD2 4.07Å; R352-W359 HydrophobicContact CB-CE3 3.94Å; R352-W359 HydrophobicContact CB-CZ3 4.2Å; R352-W359 HydrophobicContact CG-CD2 4.19Å; R352-W359 HydrophobicContact CG-CE3 4.04Å; R352-W359 HydrophobicContact CG-CH2 3.82Å; R352-W359 HydrophobicContact CG-CZ2 3.97Å; R352-W359 HydrophobicContact CG-CZ3 3.83Å
353A88.1Confident83.5Confident12 Ų1257.2 Ų57.210%0.09933%0.33CS..  trans-152.2166.3170.900000109.1E322 W323 G355 L356E322-A353 WeakPolarHBondContact O-CA 3.42Å; E322-A353 VanDerWaalsContact O-CB 3.27Å; E322-A353 WeakPolarHBondContact O-CB 3.44Å; W323-A353 HydrophobicContact CD2-CB 3.84Å; W323-A353 HydrophobicContact CE3-CB 3.53Å; W323-A353 HydrophobicContact CH2-CB 4.02Å; W323-A353 HydrophobicContact CZ2-CB 4.3Å; W323-A353 HydrophobicContact CZ3-CB 3.63Å; A353-G355 PolarHBondContact O-N 2.92Å; A353-L356 HydrophobicContact CB-CD1 4.16Å; A353-L356 PolarHBondContact O-N 3.24Å
354Q85.7Confident84.6Confident78 Ų7858 Ų5836%0.36432%0.319SS..THydrogen-bonded Turntrans-60.9130.8173.1-178.5171.8-7.700110.1R566 N570Q354-R566 VanDerWaalsContact CD-NH2 3.27Å; Q354-R566 VanDerWaalsContact OE1-CZ 3.3Å; Q354-R566 VanDerWaalsContact OE1-NH1 3.12Å; Q354-N570 PolarHBondContact O-ND2 3.34Å
355G85Confident85.5Confident42 Ų4255.6 Ų55.643%0.43329%0.293SS..THydrogen-bonded Turntrans98.2-17.5-17700000114.3A353 Q572A353-G355 PolarHBondContact O-N 2.92Å; G355-Q572 WeakPolarHBondContact CA-O 3.48Å
356L85.4Confident86Confident26 Ų2655 Ų5514%0.13629%0.29CS..SBendtrans-83.1141172.1-70.7173.1000111.8W323 A353 G358 K360 I365 Q572W323-L356 HydrophobicContact CE3-CD1 4.48Å; W323-L356 HydrophobicContact CH2-CD1 3.76Å; W323-L356 HydrophobicContact CZ3-CD1 3.39Å; A353-L356 HydrophobicContact CB-CD1 4.16Å; A353-L356 PolarHBondContact O-N 3.24Å; L356-G358 PolarHBondContact O-N 3Å; L356-K360 HydrophobicContact CD2-CD 4.35Å; L356-I365 HydrophobicContact CD1-CD1 4.1Å; L356-I365 HydrophobicContact CD1-CG1 4.28Å; L356-Q572 HydrophobicContact CD2-CB 4.49Å; L356-Q572 HydrophobicContact CD2-CG 4.12Å
357E84.6Confident86.6Confident147 Ų14751.4 Ų51.469%0.68727%0.271SS*.SBendtrans-73.177171.4-65.7-177.8170.800110.6
358G87.5Confident86.9Confident42 Ų4250.2 Ų50.243%0.43326%0.259SS..SBendtrans75.2-153.3177.300000114.3L356L356-G358 PolarHBondContact O-N 3Å
359W89.3Confident87.1Confident69 Ų6948.4 Ų48.426%0.26124%0.243SC..  trans-82.1124.9180-67.594000110.3F324 R326 E332 L350 F351 R352F324-W359 HydrophobicContact CB-CH2 4.45Å; R326-W359 HydrophobicContact CB-CZ3 4.43Å; R326-W359 HydrophobicContact CG-CD2 4.25Å; R326-W359 HydrophobicContact CG-CE3 3.94Å; R326-W359 HydrophobicContact CG-CH2 3.64Å; R326-W359 HydrophobicContact CG-CZ2 3.96Å; R326-W359 HydrophobicContact CG-CZ3 3.64Å; R326-W359 VanDerWaalsContact NE-CE2 3.32Å; E332-W359 HydrophobicContact CB-CH2 4.28Å; E332-W359 HydrophobicContact CB-CZ2 4.39Å; E332-W359 HydrophobicContact CG-CH2 3.96Å; E332-W359 HydrophobicContact CG-CZ2 4.26Å; E332-W359 WeakPolarHBondContact OE2-CZ2 3.48Å; L350-W359 HydrophobicContact CB-CE3 4.11Å; F351-W359 WeakPolarHBondContact O-CA 3.4Å; R352-W359 HydrophobicContact CB-CD2 4.07Å; R352-W359 HydrophobicContact CB-CE3 3.94Å; R352-W359 HydrophobicContact CB-CZ3 4.2Å; R352-W359 HydrophobicContact CG-CD2 4.19Å; R352-W359 HydrophobicContact CG-CE3 4.04Å; R352-W359 HydrophobicContact CG-CH2 3.82Å; R352-W359 HydrophobicContact CG-CZ2 3.97Å; R352-W359 HydrophobicContact CG-CZ3 3.83Å
360K90.6Very high87.2Confident72 Ų7248.1 Ų48.131%0.31324%0.239SC..EExtended strand (participates in β ladder)trans-123.9152.7176.5-68.2-165.7178.9-178.10110.6L350 F351 L356 D364 I365L350-K360 CarbonylContact C-O 3.57Å; L350-K360 WeakPolarHBondContact CA-O 3.12Å; F351-K360 PolarHBondContact N-O 3.18Å; F351-K360 PolarHBondContact O-N 2.57Å; L356-K360 HydrophobicContact CD2-CD 4.35Å; K360-D364 HydrophobicContact CB-CB 4.45Å; K360-I365 HydrophobicContact CB-CD1 4.26Å; K360-I365 HydrophobicContact CB-CG1 3.93Å
361R89.6Confident86.9Confident123 Ų12348.5 Ų48.546%0.46424%0.244SC..EExtended strand (participates in β ladder)trans-68.8152172.9-58.3174.8177.1-169.80.8109.6S349 L350 E363 D364 I365S349-R361 WeakPolarHBondContact O-CA 3.32Å; L350-R361 HydrophobicContact CD2-CG 3.86Å; R361-E363 HydrophobicContact CB-CG 3.96Å; R361-E363 IonicContact NH1-OE1 3.74Å; R361-E363 PolarHBondContact O-N 2.84Å; R361-D364 HydrophobicContact CB-CB 4.47Å; R361-D364 WeakPolarHBondContact CB-OD2 3.48Å; R361-D364 PolarHBondContact O-N 3.18Å; R361-I365 PolarHBondContact O-N 2.9Å
362L84.7Confident86.6Confident1 Ų151.4 Ų51.41%0.00526%0.259CS..G310 helixtrans-54.7-38.9177.7-169.576.2000111.8F340 I345 S347 S349 F351 D364 I365 F368 L372 I373F340-L362 HydrophobicContact CD2-CD2 3.85Å; F340-L362 HydrophobicContact CE2-CD2 3.75Å; I345-L362 HydrophobicContact CG2-CD2 4.41Å; S347-L362 WeakPolarHBondContact O-CB 3.33Å; S347-L362 PolarHBondContact O-N 2.85Å; S349-L362 PolarHBondContact O-N 2.95Å; F351-L362 HydrophobicContact CD2-CB 4.05Å; F351-L362 HydrophobicContact CD2-CD1 3.73Å; F351-L362 HydrophobicContact CD2-CG 4.48Å; F351-L362 HydrophobicContact CE1-CD1 4.38Å; F351-L362 HydrophobicContact CE2-CB 4.06Å; F351-L362 HydrophobicContact CE2-CD1 3.49Å; F351-L362 VanDerWaalsContact CE2-CD1 3.49Å; F351-L362 HydrophobicContact CE2-CG 4.23Å; F351-L362 HydrophobicContact CG-CD1 4.28Å; F351-L362 HydrophobicContact CZ-CD1 3.82Å; L362-D364 VanDerWaalsContact C-N 3.34Å; L362-D364 PolarHBondContact O-N 3.34Å; L362-I365 PolarHBondContact O-N 3.44Å; L362-F368 HydrophobicContact CD1-CB 3.76Å; L362-F368 HydrophobicContact CD1-CD1 4.3Å; L362-F368 HydrophobicContact CD1-CD2 3.35Å; L362-F368 HydrophobicContact CD1-CE2 3.91Å; L362-F368 HydrophobicContact CD1-CG 3.56Å; L362-F368 HydrophobicContact CG-CB 4.01Å; L362-F368 HydrophobicContact CG-CD2 4.36Å; L362-F368 HydrophobicContact CG-CG 4.36Å; L362-L372 HydrophobicContact CD1-CD2 4.36Å; L362-L372 HydrophobicContact CD2-CD2 4.08Å; L362-I373 HydrophobicContact CB-CD1 4.37Å; L362-I373 HydrophobicContact CD2-CD1 4.07Å; L362-I373 HydrophobicContact CD2-CG1 4.27Å; L362-I373 HydrophobicContact CG-CD1 3.97Å
363E85.8Confident86.2Confident69 Ų6948.7 Ų48.732%0.32225%0.252SS..G310 helixtrans-68.1-26.1176.765.3-168.7179.600115S347 R361 I365 R369 I373S347-E363 PolarHBondContact O-N 2.88Å; R361-E363 HydrophobicContact CB-CG 3.96Å; R361-E363 IonicContact NH1-OE1 3.74Å; R361-E363 PolarHBondContact O-N 2.84Å; E363-I365 VanDerWaalsContact C-N 3.34Å; E363-R369 PolarHBondContact O-NH1 3.08Å; E363-I373 HydrophobicContact CB-CD1 3.99Å
364D87.2Confident86Confident81 Ų8149.1 Ų49.143%0.43326%0.255SS..G310 helixtrans-81.3-19.3179.6-63.5-35.6000111.9K360 R361 L362 A366 R369K360-D364 HydrophobicContact CB-CB 4.45Å; R361-D364 HydrophobicContact CB-CB 4.47Å; R361-D364 WeakPolarHBondContact CB-OD2 3.48Å; R361-D364 PolarHBondContact O-N 3.18Å; L362-D364 VanDerWaalsContact C-N 3.34Å; L362-D364 PolarHBondContact O-N 3.34Å; D364-A366 PolarHBondContact O-N 2.99Å; D364-R369 PolarHBondContact O-NH1 3.19Å
365I88.5Confident85.8Confident4 Ų449.2 Ų49.22%0.02126%0.261CS..SBendtrans-85.6109.9180-61.4161.8000108.8W323 F351 L356 K360 R361 L362 E363 Q367 F368 R369W323-I365 HydrophobicContact CH2-CD1 4.48Å; W323-I365 HydrophobicContact CH2-CG2 3.84Å; W323-I365 HydrophobicContact CZ3-CD1 3.9Å; W323-I365 HydrophobicContact CZ3-CG2 4.35Å; F351-I365 HydrophobicContact CB-CD1 3.69Å; L356-I365 HydrophobicContact CD1-CD1 4.1Å; L356-I365 HydrophobicContact CD1-CG1 4.28Å; K360-I365 HydrophobicContact CB-CD1 4.26Å; K360-I365 HydrophobicContact CB-CG1 3.93Å; R361-I365 PolarHBondContact O-N 2.9Å; L362-I365 PolarHBondContact O-N 3.44Å; E363-I365 VanDerWaalsContact C-N 3.34Å; I365-Q367 VanDerWaalsContact C-N 3.29Å; I365-Q367 HydrophobicContact CG2-CB 4.28Å; I365-Q367 PolarHBondContact O-N 3.43Å; I365-F368 HydrophobicContact CB-CD2 3.89Å; I365-F368 HydrophobicContact CD1-CD2 3.91Å; I365-F368 HydrophobicContact CD1-CE2 4.14Å; I365-F368 HydrophobicContact CG2-CD2 3.64Å; I365-F368 HydrophobicContact CG2-CE2 4.21Å; I365-F368 HydrophobicContact CG2-CG 4.36Å; I365-F368 PolarHBondContact O-N 3.15Å; I365-R369 WeakPolarHBondContact O-CB 3.12Å; I365-R369 PolarHBondContact O-N 3.34Å
366A85.8Confident85.4Confident1 Ų149.7 Ų49.71%0.00827%0.266CS..Hα-helixtrans-48.4-46.1-178.800000115E288 D364 F368 R369 W370E288-A366 HydrophobicContact CG-CB 3.49Å; E288-A366 VanDerWaalsContact CG-CB 3.49Å; E288-A366 WeakPolarHBondContact OE1-CB 3.3Å; D364-A366 PolarHBondContact O-N 2.99Å; A366-F368 VanDerWaalsContact C-N 3.3Å; A366-F368 PolarHBondContact O-N 3.4Å; A366-R369 PolarHBondContact O-N 3.32Å; A366-W370 HydrophobicContact CB-CE3 3.59Å; A366-W370 HydrophobicContact CB-CH2 4.18Å; A366-W370 HydrophobicContact CB-CZ3 3.33Å; A366-W370 VanDerWaalsContact O-CE3 3.28Å; A366-W370 PolarHBondContact O-N 3.5Å
367Q89Confident85.1Confident12 Ų1254.4 Ų54.46%0.05630%0.296CS..Hα-helixtrans-53.1-49.2178167.5170.1-13.900110.9L292 L295 I365 T371 S569 V571L292-Q367 HydrophobicContact CD2-CB 4.24Å; L295-Q367 HydrophobicContact CD1-CG 3.68Å; I365-Q367 VanDerWaalsContact C-N 3.29Å; I365-Q367 HydrophobicContact CG2-CB 4.28Å; I365-Q367 PolarHBondContact O-N 3.43Å; Q367-T371 WeakPolarHBondContact O-CB 3.26Å; Q367-T371 VanDerWaalsContact O-CG2 3.31Å; Q367-T371 WeakPolarHBondContact O-CG2 3.48Å; Q367-T371 PolarHBondContact O-N 3.23Å; Q367-T371 PolarHBondContact O-OG1 3.35Å; Q367-S569 PolarHBondContact NE2-O 2.78Å; Q367-V571 HydrophobicContact CB-CG2 4.13Å
368F85.9Confident84.9Confident25 Ų2549.3 Ų49.311%0.1128%0.276CS..Hα-helixtrans-78.5-36.1-179.5-62.9-50.2000113W323 F351 L362 I365 A366 W370 T371 L372 I373W323-F368 AromaticContact CD2-CE2 3.73Å; W323-F368 HydrophobicContact CD2-CE2 3.73Å; W323-F368 AromaticContact CD2-CZ 3.47Å; W323-F368 HydrophobicContact CD2-CZ 3.47Å; W323-F368 VanDerWaalsContact CD2-CZ 3.47Å; W323-F368 AromaticContact CE2-CE2 3.82Å; W323-F368 AromaticContact CE2-CZ 3.39Å; W323-F368 AromaticContact CE3-CE2 3.5Å; W323-F368 HydrophobicContact CE3-CE2 3.5Å; W323-F368 AromaticContact CE3-CZ 3.79Å; W323-F368 HydrophobicContact CE3-CZ 3.79Å; W323-F368 AromaticContact CG-CZ 3.98Å; W323-F368 HydrophobicContact CG-CZ 3.98Å; W323-F368 HydrophobicContact CH2-CD2 4.33Å; W323-F368 AromaticContact CH2-CE2 3.55Å; W323-F368 HydrophobicContact CH2-CE2 3.55Å; W323-F368 AromaticContact CH2-CZ 3.98Å; W323-F368 HydrophobicContact CH2-CZ 3.98Å; W323-F368 AromaticContact CZ2-CE2 3.76Å; W323-F368 HydrophobicContact CZ2-CE2 3.76Å; W323-F368 AromaticContact CZ2-CZ 3.68Å; W323-F368 HydrophobicContact CZ2-CZ 3.68Å; W323-F368 HydrophobicContact CZ3-CD2 4.35Å; W323-F368 AromaticContact CZ3-CE2 3.41Å; W323-F368 HydrophobicContact CZ3-CE2 3.41Å; W323-F368 VanDerWaalsContact CZ3-CE2 3.41Å; W323-F368 HydrophobicContact CZ3-CZ 4.02Å; W323-F368 AromaticContact NE1-CZ 3.79Å; F351-F368 HydrophobicContact CD1-CE2 4.47Å; L362-F368 HydrophobicContact CD1-CB 3.76Å; L362-F368 HydrophobicContact CD1-CD1 4.3Å; L362-F368 HydrophobicContact CD1-CD2 3.35Å; L362-F368 HydrophobicContact CD1-CE2 3.91Å; L362-F368 HydrophobicContact CD1-CG 3.56Å; L362-F368 HydrophobicContact CG-CB 4.01Å; L362-F368 HydrophobicContact CG-CD2 4.36Å; L362-F368 HydrophobicContact CG-CG 4.36Å; I365-F368 HydrophobicContact CB-CD2 3.89Å; I365-F368 HydrophobicContact CD1-CD2 3.91Å; I365-F368 HydrophobicContact CD1-CE2 4.14Å; I365-F368 HydrophobicContact CG2-CD2 3.64Å; I365-F368 HydrophobicContact CG2-CE2 4.21Å; I365-F368 HydrophobicContact CG2-CG 4.36Å; I365-F368 PolarHBondContact O-N 3.15Å; A366-F368 VanDerWaalsContact C-N 3.3Å; A366-F368 PolarHBondContact O-N 3.4Å; F368-W370 VanDerWaalsContact C-N 3.28Å; F368-W370 PolarHBondContact O-N 2.75Å; F368-T371 PolarHBondContact O-N 3.48Å; F368-L372 HydrophobicContact CB-CB 4.4Å; F368-L372 HydrophobicContact CD1-CB 4.47Å; F368-L372 HydrophobicContact CD1-CD2 4.21Å; F368-L372 WeakPolarHBondContact O-CA 3.45Å; F368-L372 WeakPolarHBondContact O-CB 3.48Å; F368-L372 PolarHBondContact O-N 2.81Å; F368-I373 PolarHBondContact O-N 3.12Å
369R87.9Confident84.3Confident23 Ų2351.3 Ų51.39%0.08728%0.284CS..Iπ-helixtrans-53.9-47.1174.3-178.5173.955.3-117.73.5111.4S249 E363 D364 I365 A366 A374S249-R369 PolarHBondContact O-NE 2.85Å; S249-R369 PolarHBondContact O-NH1 3.43Å; S249-R369 PolarHBondContact O-NH2 2.83Å; S249-R369 VanDerWaalsContact O-NH2 3.16Å; E363-R369 PolarHBondContact O-NH1 3.08Å; D364-R369 PolarHBondContact O-NH1 3.19Å; I365-R369 WeakPolarHBondContact O-CB 3.12Å; I365-R369 PolarHBondContact O-N 3.34Å; A366-R369 PolarHBondContact O-N 3.32Å; R369-A374 WeakPolarHBondContact O-CA 3.44Å; R369-A374 WeakPolarHBondContact O-CB 3.45Å; R369-A374 PolarHBondContact O-N 2.92Å
370W85.3Confident84.1Confident15 Ų1550.7 Ų50.76%0.05729%0.285CS..Iπ-helixtrans-95.4-2.2-174.6-64.3-48.6000115.7L248 S251 L254 L285 E288 L289 L292 A366 F368L248-W370 WeakPolarHBondContact O-CZ2 3.35Å; S251-W370 PolarHBondContact O-NE1 2.78Å; S251-W370 VanDerWaalsContact O-NE1 3.14Å; L254-W370 HydrophobicContact CD2-CB 4.41Å; L254-W370 WeakPolarHBondContact CD2-O 3.5Å; L285-W370 HydrophobicContact CD1-CH2 3.69Å; L285-W370 HydrophobicContact CD1-CZ2 4.34Å; E288-W370 HydrophobicContact CG-CZ3 4.49Å; L289-W370 HydrophobicContact CD1-CH2 4.17Å; L289-W370 HydrophobicContact CD2-CD2 3.84Å; L289-W370 HydrophobicContact CD2-CE3 3.51Å; L289-W370 HydrophobicContact CD2-CH2 3.37Å; L289-W370 HydrophobicContact CD2-CZ2 3.78Å; L289-W370 HydrophobicContact CD2-CZ3 3.22Å; L289-W370 HydrophobicContact CG-CE3 4.36Å; L289-W370 HydrophobicContact CG-CH2 3.53Å; L289-W370 HydrophobicContact CG-CZ2 4.27Å; L289-W370 HydrophobicContact CG-CZ3 3.58Å; L292-W370 HydrophobicContact CD1-CB 4.21Å; L292-W370 HydrophobicContact CD1-CD2 4.42Å; L292-W370 HydrophobicContact CD1-CE3 3.7Å; L292-W370 HydrophobicContact CD1-CZ3 4.39Å; A366-W370 HydrophobicContact CB-CE3 3.59Å; A366-W370 HydrophobicContact CB-CH2 4.18Å; A366-W370 HydrophobicContact CB-CZ3 3.33Å; A366-W370 VanDerWaalsContact O-CE3 3.28Å; A366-W370 PolarHBondContact O-N 3.5Å; F368-W370 VanDerWaalsContact C-N 3.28Å; F368-W370 PolarHBondContact O-N 2.75Å
371T82.6Confident83.9Confident68 Ų6849.5 Ų49.542%0.41729%0.286SS..Iπ-helixtrans-117.8-41.6175.362.20000113.3L295 Q367 F368L295-T371 HydrophobicContact CD1-CG2 3.83Å; Q367-T371 WeakPolarHBondContact O-CB 3.26Å; Q367-T371 VanDerWaalsContact O-CG2 3.31Å; Q367-T371 WeakPolarHBondContact O-CG2 3.48Å; Q367-T371 PolarHBondContact O-N 3.23Å; Q367-T371 PolarHBondContact O-OG1 3.35Å; F368-T371 PolarHBondContact O-N 3.48Å
372L80.9Confident84Confident68 Ų6846.6 Ų46.636%0.35628%0.277SS..Iπ-helixtrans-101.6-45.6-170.4-174.164.5000112.5F340 L362 F368F340-L372 HydrophobicContact CB-CD1 3.92Å; F340-L372 HydrophobicContact CB-CD2 3.81Å; F340-L372 HydrophobicContact CB-CG 4.24Å; F340-L372 HydrophobicContact CD1-CD1 3.5Å; F340-L372 VanDerWaalsContact CD1-CD1 3.5Å; F340-L372 HydrophobicContact CD1-CD2 4.15Å; F340-L372 HydrophobicContact CD1-CG 3.73Å; F340-L372 HydrophobicContact CD2-CD2 3.76Å; F340-L372 HydrophobicContact CD2-CG 4.14Å; F340-L372 HydrophobicContact CE1-CD1 4.14Å; F340-L372 HydrophobicContact CE1-CG 4.04Å; F340-L372 HydrophobicContact CE2-CD2 4.35Å; F340-L372 HydrophobicContact CE2-CG 4.43Å; F340-L372 HydrophobicContact CG-CD1 3.77Å; F340-L372 HydrophobicContact CG-CD2 3.64Å; F340-L372 HydrophobicContact CG-CG 3.77Å; F340-L372 HydrophobicContact CZ-CG 4.38Å; L362-L372 HydrophobicContact CD1-CD2 4.36Å; L362-L372 HydrophobicContact CD2-CD2 4.08Å; F368-L372 HydrophobicContact CB-CB 4.4Å; F368-L372 HydrophobicContact CD1-CB 4.47Å; F368-L372 HydrophobicContact CD1-CD2 4.21Å; F368-L372 WeakPolarHBondContact O-CA 3.45Å; F368-L372 WeakPolarHBondContact O-CB 3.48Å; F368-L372 PolarHBondContact O-N 2.81Å
373I81.7Confident84.3Confident44 Ų4447.3 Ų47.323%0.22628%0.282CS..Iπ-helixtrans-85.9-32.2-177.5-62.4168.8000111.1L362 E363 F368L362-I373 HydrophobicContact CB-CD1 4.37Å; L362-I373 HydrophobicContact CD2-CD1 4.07Å; L362-I373 HydrophobicContact CD2-CG1 4.27Å; L362-I373 HydrophobicContact CG-CD1 3.97Å; E363-I373 HydrophobicContact CB-CD1 3.99Å; F368-I373 PolarHBondContact O-N 3.12Å
374A83.8Confident84.7Confident21 Ų2145.6 Ų45.617%0.17428%0.279CS..  trans-59.4143.5-171.200000113.4A252 L254 R369A252-A374 CarbonylContact O-C 3.54Å; A252-A374 WeakPolarHBondContact O-CA 3.49Å; A252-A374 WeakPolarHBondContact O-CB 3.23Å; L254-A374 HydrophobicContact CD1-CB 4.31Å; L254-A374 HydrophobicContact CD2-CB 3.55Å; L254-A374 HydrophobicContact CG-CB 3.76Å; R369-A374 WeakPolarHBondContact O-CA 3.44Å; R369-A374 WeakPolarHBondContact O-CB 3.45Å; R369-A374 PolarHBondContact O-N 2.92Å
375T81.5Confident85Confident80 Ų8042.6 Ų42.649%0.49126%0.263SS..BIsolated β-bridgetrans-106.6164176.759.50000111.1A252 D253 L254A252-T375 PolarHBondContact O-N 3.05Å; D253-T375 WeakPolarHBondContact CA-O 3.41Å; L254-T375 PolarHBondContact N-O 2.93Å
376G76.8Confident85.4Confident52 Ų5242.4 Ų42.454%0.53626%0.262SS..SBendtrans84.7-178.2175.700000113.4
377V79Confident85.9Confident126 Ų12643.2 Ų43.276%0.76427%0.266SS*.  trans-109.8121.9-177.5-177.90000108.4S379V377-S379 PolarHBondContact O-N 2.77Å
378S78.6Confident86.4Confident39 Ų3945.2 Ų45.227%0.27328%0.275SS..  trans-69.1126.4172.5-171.70000110.2N258 M380N258-S378 PolarHBondContact ND2-OG 3.45Å; S378-M380 WeakPolarHBondContact CB-O 3.46Å; S378-M380 PolarHBondContact O-N 3.05Å; S378-M380 PolarHBondContact OG-N 2.94Å; S378-M380 PolarHBondContact OG-O 3.32Å
379S76.7Confident86.9Confident84 Ų8444 Ų4459%0.58727%0.269SS*.SBendtrans-69.9-18.5170.256.50000113.5N258 V377N258-S379 PolarHBondContact ND2-N 3.21Å; N258-S379 PolarHBondContact ND2-OG 3.42Å; V377-S379 PolarHBondContact O-N 2.77Å
380M83.5Confident87.5Confident57 Ų5743 Ų4328%0.28127%0.266SS..SBendtrans-124.7140.1-175.7-65.4178.568.700109.9N258 S378 A384 I385 F388N258-M380 PolarHBondContact ND2-N 2.95Å; S378-M380 WeakPolarHBondContact CB-O 3.46Å; S378-M380 PolarHBondContact O-N 3.05Å; S378-M380 PolarHBondContact OG-N 2.94Å; S378-M380 PolarHBondContact OG-O 3.32Å; M380-A384 HydrophobicContact CB-CB 4.16Å; M380-A384 HydrophobicContact CE-CB 4Å; M380-I385 HydrophobicContact CB-CD1 4.43Å; M380-I385 HydrophobicContact CB-CG1 3.89Å; M380-F388 HydrophobicContact CE-CB 4.12Å
381S88.1Confident88.1Confident47 Ų4746.2 Ų46.233%0.32928%0.284SS..  trans-69.6161.9167.4620000111T383 A384 I385S381-T383 PolarHBondContact O-N 3.39Å; S381-A384 WeakPolarHBondContact O-CA 3.46Å; S381-A384 WeakPolarHBondContact O-CB 2.99Å; S381-A384 PolarHBondContact O-N 2.94Å; S381-A384 PolarHBondContact OG-N 3.2Å; S381-I385 WeakPolarHBondContact O-CG1 3.13Å; S381-I385 PolarHBondContact O-N 3.31Å
382E89.8Confident88.8Confident62 Ų6243.3 Ų43.329%0.2927%0.266SS..Hα-helixtrans-57.3-39.5174.8-61.578.6-176.800110.6D296 A384 I385 A386D296-E382 HydrophobicContact CB-CB 4.29Å; E382-A384 PolarHBondContact O-N 3.48Å; E382-I385 PolarHBondContact O-N 2.86Å; E382-A386 PolarHBondContact O-N 2.65Å
383T92.3Very high89.7Confident16 Ų1640.2 Ų40.210%0.09825%0.25CC..Hα-helixtrans-61.4-41172.4-63.60000112.2D296 S381 N387 E437 I440D296-T383 VanDerWaalsContact OD2-CB 3.26Å; D296-T383 WeakPolarHBondContact OD2-CB 3.35Å; D296-T383 PolarHBondContact OD2-N 3.32Å; D296-T383 PolarHBondContact OD2-OG1 3.16Å; S381-T383 PolarHBondContact O-N 3.39Å; T383-N387 WeakPolarHBondContact O-CB 3.38Å; T383-N387 PolarHBondContact O-N 2.94Å; T383-N387 PolarHBondContact O-ND2 3.25Å; T383-E437 HydrophobicContact CG2-CG 4.08Å; T383-I440 HydrophobicContact CG2-CD1 4Å
384A93.4Very high90.5Very high33 Ų3338.6 Ų38.627%0.27324%0.242SC..Hα-helixtrans-68.5-38.1177.200000111.9M380 S381 E382 N387 F388M380-A384 HydrophobicContact CB-CB 4.16Å; M380-A384 HydrophobicContact CE-CB 4Å; S381-A384 WeakPolarHBondContact O-CA 3.46Å; S381-A384 WeakPolarHBondContact O-CB 2.99Å; S381-A384 PolarHBondContact O-N 2.94Å; S381-A384 PolarHBondContact OG-N 3.2Å; E382-A384 PolarHBondContact O-N 3.48Å; A384-N387 WeakPolarHBondContact O-CB 3.44Å; A384-N387 PolarHBondContact O-N 3.05Å; A384-F388 PolarHBondContact O-N 3.48Å
385I94Very high91.1Very high18 Ų1840.8 Ų40.89%0.09225%0.247CC..Hα-helixtrans-61.5-51174.7-69.6168.2000110.3L261 M380 S381 E382 N387 F388 I389L261-I385 HydrophobicContact CD2-CG2 3.86Å; M380-I385 HydrophobicContact CB-CD1 4.43Å; M380-I385 HydrophobicContact CB-CG1 3.89Å; S381-I385 WeakPolarHBondContact O-CG1 3.13Å; S381-I385 PolarHBondContact O-N 3.31Å; E382-I385 PolarHBondContact O-N 2.86Å; I385-N387 VanDerWaalsContact C-N 3.3Å; I385-N387 PolarHBondContact O-N 3.08Å; I385-F388 WeakPolarHBondContact O-CB 3.25Å; I385-F388 PolarHBondContact O-N 2.86Å; I385-F388 VanDerWaalsContact O-N 3.12Å; I385-I389 HydrophobicContact CG2-CD1 3.59Å; I385-I389 HydrophobicContact CG2-CG1 4.36Å; I385-I389 VanDerWaalsContact O-CG1 3.28Å; I385-I389 WeakPolarHBondContact O-CG1 3.46Å; I385-I389 PolarHBondContact O-N 2.88Å
386A96.5Very high91.9Very high0 Ų037 Ų370%022%0.224CC..Hα-helixtrans-60.6-39.9177.600000112.3A290 A293 E382 F388 I389 L390 I440A290-A386 HydrophobicContact CB-CB 4.33Å; A293-A386 HydrophobicContact CB-CB 3.64Å; E382-A386 PolarHBondContact O-N 2.65Å; A386-F388 VanDerWaalsContact C-N 3.34Å; A386-F388 PolarHBondContact O-N 3.29Å; A386-I389 PolarHBondContact O-N 3.44Å; A386-L390 WeakPolarHBondContact O-CB 3.4Å; A386-L390 VanDerWaalsContact O-CG 3.3Å; A386-L390 WeakPolarHBondContact O-CG 3.34Å; A386-L390 PolarHBondContact O-N 3.12Å; A386-I440 HydrophobicContact CB-CD1 3.95Å
387N97.5Very high92.9Very high18 Ų1834.6 Ų34.610%0.09620%0.199CC..Hα-helixtrans-60.6-40.6174.3-91.7-65.7000113.6T383 A384 I385 N391 N439 K443T383-N387 WeakPolarHBondContact O-CB 3.38Å; T383-N387 PolarHBondContact O-N 2.94Å; T383-N387 PolarHBondContact O-ND2 3.25Å; A384-N387 WeakPolarHBondContact O-CB 3.44Å; A384-N387 PolarHBondContact O-N 3.05Å; I385-N387 VanDerWaalsContact C-N 3.3Å; I385-N387 PolarHBondContact O-N 3.08Å; N387-N391 PolarHBondContact O-N 2.97Å; N387-N391 PolarHBondContact O-ND2 2.9Å; N387-N439 WeakPolarHBondContact OD1-CB 3.43Å; N387-K443 PolarHBondContact O-NZ 3.14Å; N387-K443 VanDerWaalsContact O-NZ 3.14Å; N387-K443 PolarHBondContact OD1-NZ 2.87Å
388F97.6Very high93.8Very high53 Ų5336.5 Ų36.523%0.23219%0.193CC..Hα-helixtrans-66.6-45.5175.3175.3-91.7000110.8L261 M380 A384 I385 A386 N391 L392L261-F388 HydrophobicContact CD1-CD1 4.2Å; L261-F388 HydrophobicContact CD1-CE1 3.94Å; L261-F388 HydrophobicContact CD2-CD1 3.99Å; L261-F388 HydrophobicContact CD2-CE1 4.34Å; L261-F388 HydrophobicContact CG-CD1 3.81Å; L261-F388 HydrophobicContact CG-CE1 3.65Å; L261-F388 WeakPolarHBondContact O-CE1 3.36Å; M380-F388 HydrophobicContact CE-CB 4.12Å; A384-F388 PolarHBondContact O-N 3.48Å; I385-F388 WeakPolarHBondContact O-CB 3.25Å; I385-F388 PolarHBondContact O-N 2.86Å; I385-F388 VanDerWaalsContact O-N 3.12Å; A386-F388 VanDerWaalsContact C-N 3.34Å; A386-F388 PolarHBondContact O-N 3.29Å; F388-N391 WeakPolarHBondContact O-CB 3.08Å; F388-N391 PolarHBondContact O-N 2.93Å; F388-L392 HydrophobicContact CE1-CD2 4.18Å; F388-L392 WeakPolarHBondContact O-CB 3.39Å; F388-L392 PolarHBondContact O-N 3.31Å
389I98.4Very high94.6Very high0 Ų037.2 Ų37.20%019%0.191CC..Hα-helixtrans-65.2-45-178.6-68.3170.5000111.6L261 L286 L289 A290 I385 A386 N391 L392 L393L261-I389 HydrophobicContact CD1-CG1 4.15Å; L261-I389 HydrophobicContact CD2-CD1 4.18Å; L261-I389 HydrophobicContact CD2-CG1 4.12Å; L286-I389 HydrophobicContact CB-CG2 3.83Å; L286-I389 HydrophobicContact CD2-CD1 4.36Å; L286-I389 HydrophobicContact CD2-CG1 3.98Å; L286-I389 HydrophobicContact CD2-CG2 4.19Å; L286-I389 WeakPolarHBondContact O-CG2 3.14Å; L289-I389 HydrophobicContact CB-CD1 3.39Å; L289-I389 HydrophobicContact CD1-CD1 4.46Å; A290-I389 HydrophobicContact CB-CB 4.25Å; A290-I389 HydrophobicContact CB-CD1 4.29Å; A290-I389 HydrophobicContact CB-CG2 3.93Å; I385-I389 HydrophobicContact CG2-CD1 3.59Å; I385-I389 HydrophobicContact CG2-CG1 4.36Å; I385-I389 VanDerWaalsContact O-CG1 3.28Å; I385-I389 WeakPolarHBondContact O-CG1 3.46Å; I385-I389 PolarHBondContact O-N 2.88Å; A386-I389 PolarHBondContact O-N 3.44Å; I389-N391 VanDerWaalsContact C-N 3.26Å; I389-N391 PolarHBondContact O-N 3.34Å; I389-L392 CarbonylContact O-C 3.54Å; I389-L392 WeakPolarHBondContact O-CA 3.29Å; I389-L392 WeakPolarHBondContact O-CB 3.44Å; I389-L392 PolarHBondContact O-N 2.61Å; I389-L393 HydrophobicContact CG2-CD1 3.89Å; I389-L393 HydrophobicContact CG2-CG 4.03Å; I389-L393 WeakPolarHBondContact O-CG 3.28Å; I389-L393 PolarHBondContact O-N 3.45Å
390L98.7Very high95.5Very high1 Ų134.8 Ų34.81%0.00517%0.17CC..Hα-helixtrans-60.1-38.5177.9-73.7170.5000111.9A386 T394 L432 I440 K443 T444 L447A386-L390 WeakPolarHBondContact O-CB 3.4Å; A386-L390 VanDerWaalsContact O-CG 3.3Å; A386-L390 WeakPolarHBondContact O-CG 3.34Å; A386-L390 PolarHBondContact O-N 3.12Å; L390-T394 VanDerWaalsContact O-CB 3.28Å; L390-T394 WeakPolarHBondContact O-CB 3.45Å; L390-T394 PolarHBondContact O-N 2.84Å; L390-T394 PolarHBondContact O-OG1 3.4Å; L390-L432 HydrophobicContact CD1-CD1 4.26Å; L390-L432 HydrophobicContact CD2-CD1 3.85Å; L390-L432 HydrophobicContact CG-CD1 4.34Å; L390-I440 HydrophobicContact CD1-CB 4.37Å; L390-I440 HydrophobicContact CD1-CG2 3.9Å; L390-K443 HydrophobicContact CB-CB 3.89Å; L390-K443 HydrophobicContact CB-CD 4.29Å; L390-K443 HydrophobicContact CD1-CB 3.97Å; L390-T444 WeakPolarHBondContact CD1-OG1 3.43Å; L390-L447 HydrophobicContact CD2-CD2 3.82Å
391N98.5Very high96Very high83 Ų8335.5 Ų35.544%0.44418%0.179SC..Hα-helixtrans-64.5-43.4172.7-76.4-15.8000111.7N387 F388 I389 T394 K395 K443N387-N391 PolarHBondContact O-N 2.97Å; N387-N391 PolarHBondContact O-ND2 2.9Å; F388-N391 WeakPolarHBondContact O-CB 3.08Å; F388-N391 PolarHBondContact O-N 2.93Å; I389-N391 VanDerWaalsContact C-N 3.26Å; I389-N391 PolarHBondContact O-N 3.34Å; N391-T394 PolarHBondContact O-N 3.23Å; N391-K395 WeakPolarHBondContact O-CB 3.44Å; N391-K395 PolarHBondContact O-N 3.25Å; N391-K443 PolarHBondContact ND2-NZ 3.19Å; N391-K443 VanDerWaalsContact OD1-CD 3.28Å; N391-K443 WeakPolarHBondContact OD1-CD 3.41Å; N391-K443 WeakPolarHBondContact OD1-CE 3.39Å
392L98.4Very high96.3Very high8 Ų834.2 Ų34.24%0.04217%0.17CC..Hα-helixtrans-63-48.1177.5178.556.1000111.8A268 L286 F388 I389 T394 K395 I396A268-L392 HydrophobicContact CB-CD1 3.51Å; L286-L392 HydrophobicContact CD1-CD2 3.92Å; L286-L392 HydrophobicContact CD1-CG 4.38Å; L286-L392 HydrophobicContact CD2-CD2 4.01Å; F388-L392 HydrophobicContact CE1-CD2 4.18Å; F388-L392 WeakPolarHBondContact O-CB 3.39Å; F388-L392 PolarHBondContact O-N 3.31Å; I389-L392 CarbonylContact O-C 3.54Å; I389-L392 WeakPolarHBondContact O-CA 3.29Å; I389-L392 WeakPolarHBondContact O-CB 3.44Å; I389-L392 PolarHBondContact O-N 2.61Å; L392-T394 VanDerWaalsContact C-N 3.34Å; L392-T394 PolarHBondContact O-N 3.41Å; L392-K395 WeakPolarHBondContact O-CB 3.19Å; L392-K395 PolarHBondContact O-N 3.3Å; L392-I396 HydrophobicContact CD1-CD1 4.03Å; L392-I396 HydrophobicContact CD1-CG1 4.26Å; L392-I396 HydrophobicContact CG-CD1 3.97Å; L392-I396 VanDerWaalsContact O-CG1 3.29Å; L392-I396 WeakPolarHBondContact O-CG1 3.48Å; L392-I396 PolarHBondContact O-N 3.13Å
393L98.6Very high96.5Very high2 Ų235.3 Ų35.31%0.0117%0.171CC..Hα-helixtrans-60.7-43.7176.2-68.8178.3000111.1L283 L286 V287 I389 K395 I396 V397 L420 L447L283-L393 HydrophobicContact CD2-CD2 4.03Å; L286-L393 HydrophobicContact CB-CD2 4.15Å; L286-L393 HydrophobicContact CD1-CD2 3.95Å; V287-L393 HydrophobicContact CG2-CD1 4.17Å; I389-L393 HydrophobicContact CG2-CD1 3.89Å; I389-L393 HydrophobicContact CG2-CG 4.03Å; I389-L393 WeakPolarHBondContact O-CG 3.28Å; I389-L393 PolarHBondContact O-N 3.45Å; L393-K395 VanDerWaalsContact C-N 3.34Å; L393-K395 PolarHBondContact O-N 3.03Å; L393-I396 PolarHBondContact O-N 3.23Å; L393-V397 VanDerWaalsContact O-CG2 3.3Å; L393-V397 WeakPolarHBondContact O-CG2 3.5Å; L393-V397 PolarHBondContact O-N 3.47Å; L393-L420 HydrophobicContact CD2-CD1 4.31Å; L393-L420 HydrophobicContact CD2-CD2 4.24Å; L393-L447 HydrophobicContact CB-CD1 4.11Å; L393-L447 HydrophobicContact CB-CD2 3.93Å; L393-L447 HydrophobicContact CD1-CD2 4Å
394T98.5Very high96.5Very high10 Ų1037.6 Ų37.66%0.06118%0.183CC..Hα-helixtrans-58.6-45.7175.2-63.30000111.3L390 N391 L392 V397 R398 V446 L450L390-T394 VanDerWaalsContact O-CB 3.28Å; L390-T394 WeakPolarHBondContact O-CB 3.45Å; L390-T394 PolarHBondContact O-N 2.84Å; L390-T394 PolarHBondContact O-OG1 3.4Å; N391-T394 PolarHBondContact O-N 3.23Å; L392-T394 VanDerWaalsContact C-N 3.34Å; L392-T394 PolarHBondContact O-N 3.41Å; T394-V397 PolarHBondContact O-N 3.23Å; T394-R398 VanDerWaalsContact O-CG 3.29Å; T394-R398 WeakPolarHBondContact O-CG 3.33Å; T394-R398 PolarHBondContact O-N 3.32Å; T394-V446 HydrophobicContact CG2-CG1 4.24Å; T394-L450 HydrophobicContact CG2-CD1 3.83Å
395K97.7Very high96.5Very high67 Ų6742.8 Ų42.829%0.29121%0.213SC..Hα-helixtrans-61.5-44175.4-178.6-178176.5-171.90111.8A268 N391 L392 L393 R398 F399A268-K395 VanDerWaalsContact O-CE 3.23Å; A268-K395 WeakPolarHBondContact O-CE 3.47Å; A268-K395 PolarHBondContact O-NZ 3.28Å; N391-K395 WeakPolarHBondContact O-CB 3.44Å; N391-K395 PolarHBondContact O-N 3.25Å; L392-K395 WeakPolarHBondContact O-CB 3.19Å; L392-K395 PolarHBondContact O-N 3.3Å; L393-K395 VanDerWaalsContact C-N 3.34Å; L393-K395 PolarHBondContact O-N 3.03Å; K395-R398 PolarHBondContact O-N 3.37Å; K395-F399 HydrophobicContact CG-CE2 4.2Å; K395-F399 WeakPolarHBondContact O-CD2 3.28Å; K395-F399 PolarHBondContact O-N 2.98Å
396I98.2Very high96.5Very high0 Ų050.3 Ų50.30%025%0.248CC..Hα-helixtrans-60.7-47.7177.1-72.3169.8000110.9V274 L283 L286 L392 L393 R398 F399 F400 V416V274-I396 HydrophobicContact CG1-CB 4.2Å; V274-I396 HydrophobicContact CG1-CG1 3.94Å; V274-I396 HydrophobicContact CG1-CG2 3.64Å; V274-I396 HydrophobicContact CG2-CG1 4.38Å; L283-I396 HydrophobicContact CD2-CD1 4.03Å; L283-I396 HydrophobicContact CD2-CG2 4.17Å; L286-I396 HydrophobicContact CD1-CD1 4.42Å; L392-I396 HydrophobicContact CD1-CD1 4.03Å; L392-I396 HydrophobicContact CD1-CG1 4.26Å; L392-I396 HydrophobicContact CG-CD1 3.97Å; L392-I396 VanDerWaalsContact O-CG1 3.29Å; L392-I396 WeakPolarHBondContact O-CG1 3.48Å; L392-I396 PolarHBondContact O-N 3.13Å; L393-I396 PolarHBondContact O-N 3.23Å; I396-R398 VanDerWaalsContact C-N 3.29Å; I396-R398 PolarHBondContact O-N 3.46Å; I396-F399 WeakPolarHBondContact O-CB 3.4Å; I396-F399 PolarHBondContact O-N 3.33Å; I396-F400 WeakPolarHBondContact O-CD2 3.43Å; I396-V416 HydrophobicContact CG2-CG1 3.86Å; I396-V416 HydrophobicContact CG2-CG2 3.81Å
397V97.5Very high96.3Very high2 Ų255.2 Ų55.21%0.01228%0.275CS..Hα-helixtrans-61.6-38.6178.51740000111L393 T394 F399 F400 V416 L420 L447 L450 L451L393-V397 VanDerWaalsContact O-CG2 3.3Å; L393-V397 WeakPolarHBondContact O-CG2 3.5Å; L393-V397 PolarHBondContact O-N 3.47Å; T394-V397 PolarHBondContact O-N 3.23Å; V397-F399 VanDerWaalsContact C-N 3.25Å; V397-F399 PolarHBondContact O-N 3.02Å; V397-F400 CarbonylContact O-C 3.52Å; V397-F400 PolarHBondContact O-N 3.44Å; V397-V416 HydrophobicContact CG2-CG1 3.66Å; V397-L420 HydrophobicContact CG2-CD1 3.85Å; V397-L447 HydrophobicContact CG2-CD1 3.94Å; V397-L450 HydrophobicContact CG1-CB 3.9Å; V397-L450 HydrophobicContact CG1-CD1 4.5Å; V397-L451 HydrophobicContact CG1-CD2 4.36Å; V397-L451 HydrophobicContact CG2-CD2 3.77Å
398R96.6Very high96.1Very high167 Ų16755.7 Ų55.763%0.6328%0.284SS*.Hα-helixtrans-63.1-24.2178-75.5175.7179.4176.71114.1T394 K395 I396 F400 L450T394-R398 VanDerWaalsContact O-CG 3.29Å; T394-R398 WeakPolarHBondContact O-CG 3.33Å; T394-R398 PolarHBondContact O-N 3.32Å; K395-R398 PolarHBondContact O-N 3.37Å; I396-R398 VanDerWaalsContact C-N 3.29Å; I396-R398 PolarHBondContact O-N 3.46Å; R398-F400 PolarHBondContact O-N 3.07Å; R398-L450 HydrophobicContact CG-CD1 4.12Å
399F96.3Very high95.9Very high53 Ų5357.3 Ų57.323%0.23229%0.294CS..THydrogen-bonded Turntrans-68.3-17.4172.2-79.6-67.2000113.9A268 K271 V274 K395 I396 V397A268-F399 VanDerWaalsContact O-CE2 3.3Å; A268-F399 WeakPolarHBondContact O-CE2 3.3Å; K271-F399 HydrophobicContact CB-CD1 3.79Å; K271-F399 HydrophobicContact CB-CE1 3.99Å; K271-F399 HydrophobicContact CB-CG 4.35Å; K271-F399 HydrophobicContact CD-CB 4.32Å; K271-F399 HydrophobicContact CD-CD1 4.07Å; K271-F399 WeakPolarHBondContact CE-O 3.43Å; K271-F399 HydrophobicContact CG-CB 4.29Å; K271-F399 HydrophobicContact CG-CD1 4.04Å; K271-F399 HydrophobicContact CG-CG 4.31Å; K271-F399 PolarHBondContact NZ-O 3.47Å; V274-F399 HydrophobicContact CG2-CD2 3.95Å; V274-F399 HydrophobicContact CG2-CE2 3.93Å; K395-F399 HydrophobicContact CG-CE2 4.2Å; K395-F399 WeakPolarHBondContact O-CD2 3.28Å; K395-F399 PolarHBondContact O-N 2.98Å; I396-F399 WeakPolarHBondContact O-CB 3.4Å; I396-F399 PolarHBondContact O-N 3.33Å; V397-F399 VanDerWaalsContact C-N 3.25Å; V397-F399 PolarHBondContact O-N 3.02Å
400F95.9Very high95.7Very high34 Ų3460.7 Ų60.715%0.14931%0.311CS..SBendtrans-131.175.1-175.6-51.9-82.4000110.3K271 V274 K275 I278 I396 V397 R398 V416K271-F400 VanDerWaalsContact CE-CE1 3.49Å; K271-F400 HydrophobicContact CG-CE1 4.48Å; K271-F400 HydrophobicContact CG-CZ 4.24Å; V274-F400 HydrophobicContact CG1-CE2 3.75Å; V274-F400 HydrophobicContact CG1-CZ 4.33Å; K275-F400 HydrophobicContact CG-CZ 4.13Å; I278-F400 HydrophobicContact CD1-CE2 3.95Å; I278-F400 HydrophobicContact CD1-CZ 4.24Å; I396-F400 WeakPolarHBondContact O-CD2 3.43Å; V397-F400 CarbonylContact O-C 3.52Å; V397-F400 PolarHBondContact O-N 3.44Å; R398-F400 PolarHBondContact O-N 3.07Å; F400-V416 HydrophobicContact CD2-CG2 3.67Å; F400-V416 HydrophobicContact CE2-CG2 3.84Å
401P94.5Very high95.5Very high71 Ų7166.9 Ų66.946%0.46133%0.334SS..  trans-59.6153.4179.928.2-36000111.2R403P401-R403 WeakPolarHBondContact CB-O 3.42Å
402S93.2Very high95.2Very high20 Ų2067.8 Ų67.814%0.1435%0.345CS..SBendtrans-76.3-17175.256.30000112.7I410 D454S402-I410 PolarHBondContact O-N 2.81Å; S402-D454 PolarHBondContact OG-OD2 3.21Å
403R94.2Very high94.9Very high86 Ų8669.5 Ų69.533%0.32536%0.356SS..BIsolated β-bridgetrans-129.1150.4-179.2-57.7-170.7-179.8-163-5.4110.9P401 N407 G408 D454P401-R403 WeakPolarHBondContact CB-O 3.42Å; R403-N407 WeakPolarHBondContact CD-OD1 3.26Å; R403-N407 PolarHBondContact NH1-OD1 3.39Å; R403-G408 CarbonylContact C-O 3.44Å; R403-G408 WeakPolarHBondContact CA-O 3.42Å; R403-G408 WeakPolarHBondContact CB-O 3.34Å; R403-D454 WeakPolarHBondContact CG-OD2 3.35Å; R403-D454 IonicContact CZ-OD1 3.02Å; R403-D454 IonicContact CZ-OD2 3.72Å; R403-D454 IonicContact NE-OD1 3.73Å; R403-D454 PolarHBondContact NE-OD1 3.2Å; R403-D454 IonicContact NE-OD2 3.84Å; R403-D454 PolarHBondContact NE-OD2 3.26Å; R403-D454 IonicContact NH2-OD1 2.73Å; R403-D454 PolarHBondContact NH2-OD1 3.14Å; R403-D454 IonicContact NH2-OD2 3.52Å
404D92.7Very high94.7Very high63 Ų6370.6 Ų70.634%0.33737%0.365SS..  trans-80.1175.6173.170.412.3000111E406 N407 G408 I410D404-E406 PolarHBondContact O-N 3.01Å; D404-E406 VanDerWaalsContact OD1-C 3.22Å; D404-E406 WeakPolarHBondContact OD1-CA 3.44Å; D404-E406 PolarHBondContact OD1-N 2.97Å; D404-N407 PolarHBondContact O-N 3.26Å; D404-N407 PolarHBondContact OD1-N 2.85Å; D404-G408 PolarHBondContact N-O 3.49Å; D404-G408 WeakPolarHBondContact OD1-CA 3.04Å; D404-G408 PolarHBondContact OD1-N 3.38Å; D404-I410 HydrophobicContact CB-CD1 4.24Å; D404-I410 HydrophobicContact CB-CG1 4.25Å
405P93.2Very high94.6Very high142 Ų14274.9 Ų74.992%0.92238%0.382SS*.THydrogen-bonded Turntrans-61.5-20.1176.5-24.636.1000114.5N407P405-N407 VanDerWaalsContact C-N 3.27Å
406E94.1Very high94.6Very high177 Ų17771.8 Ų71.883%0.82737%0.369SS*.THydrogen-bonded Turntrans-90.210.2176.1-60.1-173.6175.700112.1D404 G408D404-E406 PolarHBondContact O-N 3.01Å; D404-E406 VanDerWaalsContact OD1-C 3.22Å; D404-E406 WeakPolarHBondContact OD1-CA 3.44Å; D404-E406 PolarHBondContact OD1-N 2.97Å; E406-G408 PolarHBondContact O-N 2.62Å
407N92Very high94.5Very high103 Ų10372.5 Ų72.555%0.55137%0.372SS*.  trans64.914.2-178.5-16538.9000114.4R403 D404 P405R403-N407 WeakPolarHBondContact CD-OD1 3.26Å; R403-N407 PolarHBondContact NH1-OD1 3.39Å; D404-N407 PolarHBondContact O-N 3.26Å; D404-N407 PolarHBondContact OD1-N 2.85Å; P405-N407 VanDerWaalsContact C-N 3.27Å
408G93.9Very high94.4Very high28 Ų2877 Ų7729%0.28939%0.393SS..PPolyproline II helixtrans-69.7135.2170.900000111.5R403 D404 E406 I410R403-G408 CarbonylContact C-O 3.44Å; R403-G408 WeakPolarHBondContact CA-O 3.42Å; R403-G408 WeakPolarHBondContact CB-O 3.34Å; D404-G408 PolarHBondContact N-O 3.49Å; D404-G408 WeakPolarHBondContact OD1-CA 3.04Å; D404-G408 PolarHBondContact OD1-N 3.38Å; E406-G408 PolarHBondContact O-N 2.62Å; G408-I410 PolarHBondContact O-N 3.31Å
409I93.6Very high94.5Very high87 Ų8770 Ų7045%0.44637%0.368SS..BIsolated β-bridgetrans-73.2120179.1-57.8173.8000109.4R411 D454I409-R411 HydrophobicContact CG2-CG 4.32Å; I409-R411 PolarHBondContact O-N 3.06Å; I409-D454 HydrophobicContact CG2-CB 4.11Å
410I93.7Very high94.6Very high70 Ų7067.5 Ų67.536%0.35936%0.357SS..PPolyproline II helixtrans-76.6120.9-179.6-61.1174.9000109.5S402 D404 G408S402-I410 PolarHBondContact O-N 2.81Å; D404-I410 HydrophobicContact CB-CD1 4.24Å; D404-I410 HydrophobicContact CB-CG1 4.25Å; G408-I410 PolarHBondContact O-N 3.31Å
411R93.8Very high94.6Very high131 Ų13166.8 Ų66.849%0.49436%0.355SS..SBendtrans-129.4141.6175.5-66.3-61.2-169.8-151.90.3111.4I409 D454I409-R411 HydrophobicContact CG2-CG 4.32Å; I409-R411 PolarHBondContact O-N 3.06Å; R411-D454 VanDerWaalsContact CZ-O 3.32Å; R411-D454 PolarHBondContact NH1-O 3.36Å; R411-D454 PolarHBondContact NH2-O 3.15Å
412P92.9Very high94.7Very high102 Ų10265 Ų6566%0.66234%0.344SS*.SBendcis-65.5160.5-5.629.4-35.8000112.6
413P92.4Very high94.7Very high44 Ų4469 Ų6929%0.28637%0.372SS..PPolyproline II helixtrans-58149.917625-33.5000110.7R417 Q418P413-R417 HydrophobicContact CB-CB 4.4Å; P413-Q418 HydrophobicContact CB-CG 4.39Å; P413-Q418 HydrophobicContact CG-CG 3.87Å; P413-Q418 PolarHBondContact O-NE2 3.31Å
414S94.7Very high94.7Very high26 Ų2670.3 Ų70.318%0.18238%0.382CS..PPolyproline II helixtrans-58.9149.9179.565.70000112.1V416 R417 Q418S414-V416 PolarHBondContact O-N 2.85Å; S414-R417 WeakPolarHBondContact O-CA 3.43Å; S414-R417 WeakPolarHBondContact O-CB 3.47Å; S414-R417 PolarHBondContact O-N 3.32Å; S414-R417 WeakPolarHBondContact OG-CD 3.46Å; S414-R417 WeakPolarHBondContact OG-CG 3.37Å; S414-Q418 PolarHBondContact O-N 2.79Å
415K95.9Very high94.9Very high100 Ų10067.4 Ų67.444%0.43537%0.366SS..Hα-helixtrans-54.3-37.4179.6-171.3173174.4-177.10112.3I278 N279 R417 Q418 I419I278-K415 HydrophobicContact CG2-CB 4.21Å; I278-K415 HydrophobicContact CG2-CD 3.7Å; I278-K415 HydrophobicContact CG2-CG 3.72Å; N279-K415 PolarHBondContact OD1-NZ 3.23Å; K415-R417 PolarHBondContact O-N 3.11Å; K415-Q418 PolarHBondContact O-N 2.93Å; K415-I419 HydrophobicContact CG-CD1 3.85Å; K415-I419 HydrophobicContact CG-CG1 4.48Å; K415-I419 WeakPolarHBondContact O-CG1 3.49Å; K415-I419 PolarHBondContact O-N 3.4Å
416V96.7Very high95.1Very high1 Ų161.1 Ų61.11%0.00633%0.325CS..Hα-helixtrans-54.9-50172.5-179.50000111.6I278 L283 I396 V397 F400 S414 I419 L420I278-V416 HydrophobicContact CD1-CG2 3.18Å; I278-V416 HydrophobicContact CG1-CG2 3.84Å; L283-V416 HydrophobicContact CD1-CB 4.26Å; L283-V416 HydrophobicContact CD1-CG1 4.01Å; L283-V416 HydrophobicContact CD1-CG2 4.32Å; I396-V416 HydrophobicContact CG2-CG1 3.86Å; I396-V416 HydrophobicContact CG2-CG2 3.81Å; V397-V416 HydrophobicContact CG2-CG1 3.66Å; F400-V416 HydrophobicContact CD2-CG2 3.67Å; F400-V416 HydrophobicContact CE2-CG2 3.84Å; S414-V416 PolarHBondContact O-N 2.85Å; V416-I419 PolarHBondContact O-N 2.9Å; V416-L420 HydrophobicContact CG1-CD1 3.75Å; V416-L420 HydrophobicContact CG1-CG 4.36Å; V416-L420 WeakPolarHBondContact O-CB 3.39Å; V416-L420 WeakPolarHBondContact O-CG 3.38Å; V416-L420 PolarHBondContact O-N 3.33Å
417R96.5Very high95.3Very high15 Ų1553.5 Ų53.56%0.05729%0.291CS..Hα-helixtrans-66.4-42-179.6-72170.7174.5-83.3-6.4110.6P413 S414 K415 I419 T421 L450 L451 T453P413-R417 HydrophobicContact CB-CB 4.4Å; S414-R417 WeakPolarHBondContact O-CA 3.43Å; S414-R417 WeakPolarHBondContact O-CB 3.47Å; S414-R417 PolarHBondContact O-N 3.32Å; S414-R417 WeakPolarHBondContact OG-CD 3.46Å; S414-R417 WeakPolarHBondContact OG-CG 3.37Å; K415-R417 PolarHBondContact O-N 3.11Å; R417-I419 VanDerWaalsContact C-N 3.32Å; R417-I419 PolarHBondContact O-N 3.25Å; R417-T421 VanDerWaalsContact O-CB 3.26Å; R417-T421 WeakPolarHBondContact O-CB 3.47Å; R417-T421 VanDerWaalsContact O-CG2 3.3Å; R417-T421 WeakPolarHBondContact O-CG2 3.39Å; R417-T421 PolarHBondContact O-N 3.49Å; R417-T421 PolarHBondContact O-OG1 3.14Å; R417-L450 PolarHBondContact NH1-O 2.76Å; R417-L450 PolarHBondContact NH2-O 3.27Å; R417-L451 HydrophobicContact CG-CD2 4.32Å; R417-L451 PolarHBondContact NH1-O 3.01Å; R417-L451 VanDerWaalsContact NH1-O 3.08Å; R417-T453 PolarHBondContact NH1-O 3.35Å
418Q96.3Very high95.6Very high98 Ų9849.3 Ų49.346%0.45827%0.268SS..Hα-helixtrans-57.6-44.8176.8-65.6-179.632.800111.8P413 S414 K415 S422P413-Q418 HydrophobicContact CB-CG 4.39Å; P413-Q418 HydrophobicContact CG-CG 3.87Å; P413-Q418 PolarHBondContact O-NE2 3.31Å; S414-Q418 PolarHBondContact O-N 2.79Å; K415-Q418 PolarHBondContact O-N 2.93Å; Q418-S422 PolarHBondContact O-N 2.95Å
419I97.8Very high95.8Very high20 Ų2048 Ų4810%0.10325%0.254CS..Hα-helixtrans-70.1-53.8179.7-67.2164.9000111.2I278 L283 E284 K415 V416 R417 T421 S422I278-I419 HydrophobicContact CG2-CD1 3.74Å; L283-I419 HydrophobicContact CB-CG2 3.98Å; L283-I419 HydrophobicContact CD1-CB 4.2Å; L283-I419 HydrophobicContact CD1-CD1 4.19Å; L283-I419 HydrophobicContact CD1-CG2 4.16Å; E284-I419 VanDerWaalsContact CD-CG2 3.5Å; E284-I419 HydrophobicContact CG-CG2 4.06Å; E284-I419 VanDerWaalsContact OE1-CG2 3.26Å; E284-I419 WeakPolarHBondContact OE1-CG2 3.31Å; K415-I419 HydrophobicContact CG-CD1 3.85Å; K415-I419 HydrophobicContact CG-CG1 4.48Å; K415-I419 WeakPolarHBondContact O-CG1 3.49Å; K415-I419 PolarHBondContact O-N 3.4Å; V416-I419 PolarHBondContact O-N 2.9Å; R417-I419 VanDerWaalsContact C-N 3.32Å; R417-I419 PolarHBondContact O-N 3.25Å; I419-T421 PolarHBondContact O-N 3.22Å; I419-S422 WeakPolarHBondContact O-CB 3.43Å; I419-S422 PolarHBondContact O-N 2.72Å; I419-S422 PolarHBondContact O-OG 3.08Å
420L98.2Very high96Very high0 Ų043.9 Ų43.90%023%0.233CC..Hα-helixtrans-69.8-19.9-175.2-64.5179.1000113.4L283 V287 L393 V397 V416 L426 I429 L451L283-L420 HydrophobicContact CB-CD2 4.13Å; L283-L420 HydrophobicContact CD1-CD2 4.47Å; L283-L420 HydrophobicContact CD1-CG 4.24Å; V287-L420 HydrophobicContact CG2-CD2 3.77Å; L393-L420 HydrophobicContact CD2-CD1 4.31Å; L393-L420 HydrophobicContact CD2-CD2 4.24Å; V397-L420 HydrophobicContact CG2-CD1 3.85Å; V416-L420 HydrophobicContact CG1-CD1 3.75Å; V416-L420 HydrophobicContact CG1-CG 4.36Å; V416-L420 WeakPolarHBondContact O-CB 3.39Å; V416-L420 WeakPolarHBondContact O-CG 3.38Å; V416-L420 PolarHBondContact O-N 3.33Å; L420-L426 PolarHBondContact O-N 3.35Å; L420-I429 HydrophobicContact CB-CD1 4.25Å; L420-I429 HydrophobicContact CD2-CD1 4.2Å; L420-L451 HydrophobicContact CB-CD1 3.85Å; L420-L451 HydrophobicContact CB-CD2 3.81Å; L420-L451 HydrophobicContact CD1-CD1 4.39Å; L420-L451 HydrophobicContact CD1-CD2 3.96Å
421T97Very high96.2Very high19 Ų1940.6 Ų40.612%0.11722%0.216CC..THydrogen-bonded Turntrans-94.21.9172.263.70000113.5R417 I419 L451 V457R417-T421 VanDerWaalsContact O-CB 3.26Å; R417-T421 WeakPolarHBondContact O-CB 3.47Å; R417-T421 VanDerWaalsContact O-CG2 3.3Å; R417-T421 WeakPolarHBondContact O-CG2 3.39Å; R417-T421 PolarHBondContact O-N 3.49Å; R417-T421 PolarHBondContact O-OG1 3.14Å; I419-T421 PolarHBondContact O-N 3.22Å; T421-L451 HydrophobicContact CG2-CB 4.22Å; T421-V457 HydrophobicContact CG2-CG2 4Å
422S95.8Very high96.4Very high33 Ų3334.5 Ų34.523%0.23119%0.193CC..SBendtrans-68.4163.5175.176.80000111.9Q418 I419 Q424 C425 L426Q418-S422 PolarHBondContact O-N 2.95Å; I419-S422 WeakPolarHBondContact O-CB 3.43Å; I419-S422 PolarHBondContact O-N 2.72Å; I419-S422 PolarHBondContact O-OG 3.08Å; S422-Q424 PolarHBondContact O-N 2.87Å; S422-Q424 PolarHBondContact OG-N 3.33Å; S422-C425 PolarHBondContact O-N 3.4Å; S422-L426 WeakPolarHBondContact O-CB 3.5Å; S422-L426 PolarHBondContact O-N 3.13Å
423S94Very high96.6Very high103 Ų10329.7 Ų29.772%0.7216%0.162SC*.THydrogen-bonded Turntrans-64-19.1175.553.80000113.8P427S423-P427 WeakPolarHBondContact O-CD 3.4Å
424Q93.2Very high96.7Very high115 Ų11528.3 Ų28.354%0.53715%0.152SC..THydrogen-bonded Turntrans-85.5-15.6179-66.6176.6-11.400113S422 H428S422-Q424 PolarHBondContact O-N 2.87Å; S422-Q424 PolarHBondContact OG-N 3.33Å; Q424-H428 PolarHBondContact O-CD2 2.79Å
425C97.4Very high96.7Very high1 Ų127.1 Ų27.11%0.00714%0.144CC..THydrogen-bonded Turntrans-120.3-48.5-177-65.80000112.7V287 S422 H428 I429V287-C425 HydrophobicContact CG1-CB 4.48Å; V287-C425 HydrophobicContact CG2-CB 4.23Å; S422-C425 PolarHBondContact O-N 3.4Å; C425-H428 PolarHBondContact O-N 2.88Å; C425-H428 VanDerWaalsContact O-N 3.14Å; C425-I429 HydrophobicContact CB-CD1 4.43Å; C425-I429 WeakPolarHBondContact O-CG1 3.28Å; C425-I429 PolarHBondContact O-N 2.92Å
426L97.9Very high96.5Very high10 Ų1024.3 Ų24.35%0.05213%0.131CC..Hα-helixtrans-57.4-44.7-169.2-177.163000113.5L420 S422 H428 I429 V430 L448 V457 L461 T464L420-L426 PolarHBondContact O-N 3.35Å; S422-L426 WeakPolarHBondContact O-CB 3.5Å; S422-L426 PolarHBondContact O-N 3.13Å; L426-H428 VanDerWaalsContact C-N 3.35Å; L426-H428 PolarHBondContact O-N 3.33Å; L426-I429 PolarHBondContact O-N 3.47Å; L426-V430 HydrophobicContact CD1-CG2 4.3Å; L426-V430 WeakPolarHBondContact O-CG2 3.27Å; L426-V430 PolarHBondContact O-N 2.92Å; L426-L448 HydrophobicContact CD1-CD2 3.79Å; L426-V457 HydrophobicContact CD2-CG2 4.43Å; L426-L461 HydrophobicContact CD1-CD1 4.31Å; L426-L461 HydrophobicContact CD2-CD1 4.04Å; L426-L461 HydrophobicContact CG-CD1 4.5Å; L426-T464 HydrophobicContact CD2-CG2 4.33Å; L426-T464 HydrophobicContact CG-CG2 4.34Å
427P97.5Very high96.4Very high17 Ų1726.8 Ų26.811%0.1114%0.143CC..Hα-helixtrans-61.1-42.8178.2-22.434.8000112.3S423 I429 V430 Q431 V574S423-P427 WeakPolarHBondContact O-CD 3.4Å; P427-I429 PolarHBondContact O-N 3.42Å; P427-V430 PolarHBondContact O-N 3.34Å; P427-Q431 WeakPolarHBondContact O-CB 3.33Å; P427-Q431 WeakPolarHBondContact O-CG 3.28Å; P427-Q431 PolarHBondContact O-N 2.83Å; P427-V574 HydrophobicContact CB-CG1 3.77Å; P427-V574 HydrophobicContact CG-CG1 4.09Å
428H97.8Very high96.3Very high15 Ų1528.7 Ų28.77%0.06916%0.158CC..Hα-helixtrans-67.2-36.4179.7-55.9-73.3000112.3V287 Q424 C425 L426 Q431 L432 V571V287-H428 HydrophobicContact CG1-CB 3.82Å; Q424-H428 PolarHBondContact O-CD2 2.79Å; C425-H428 PolarHBondContact O-N 2.88Å; C425-H428 VanDerWaalsContact O-N 3.14Å; L426-H428 VanDerWaalsContact C-N 3.35Å; L426-H428 PolarHBondContact O-N 3.33Å; H428-Q431 PolarHBondContact O-N 3.39Å; H428-L432 PolarHBondContact O-N 3.21Å; H428-V571 PolarHBondContact ND1-O 2.84Å
429I98.6Very high96.3Very high2 Ų229 Ų291%0.0116%0.162CC..Hα-helixtrans-62.9-46172.4-61.7168.6000110.1V287 L420 C425 L426 P427 Q431 L432 T444 L447 L448 L451V287-I429 HydrophobicContact CG1-CG1 4.01Å; V287-I429 HydrophobicContact CG2-CD1 4.1Å; V287-I429 HydrophobicContact CG2-CG1 4.04Å; L420-I429 HydrophobicContact CB-CD1 4.25Å; L420-I429 HydrophobicContact CD2-CD1 4.2Å; C425-I429 HydrophobicContact CB-CD1 4.43Å; C425-I429 WeakPolarHBondContact O-CG1 3.28Å; C425-I429 PolarHBondContact O-N 2.92Å; L426-I429 PolarHBondContact O-N 3.47Å; P427-I429 PolarHBondContact O-N 3.42Å; I429-Q431 VanDerWaalsContact C-N 3.34Å; I429-Q431 PolarHBondContact O-N 3.02Å; I429-L432 WeakPolarHBondContact O-CB 3.12Å; I429-L432 PolarHBondContact O-N 3.45Å; I429-T444 HydrophobicContact CG2-CG2 4.23Å; I429-T444 WeakPolarHBondContact O-CG2 3.37Å; I429-L447 HydrophobicContact CG2-CD2 4.09Å; I429-L448 HydrophobicContact CB-CD2 4.5Å; I429-L448 HydrophobicContact CG2-CD2 3.78Å; I429-L448 HydrophobicContact CG2-CG 4.04Å; I429-L451 HydrophobicContact CD1-CD1 4.17Å
430V98.4Very high96.2Very high0 Ų028 Ų280%016%0.157CC..Hα-helixtrans-64.4-39.7179.2169.10000111.6L426 P427 L432 F433 L448 I466 F469L426-V430 HydrophobicContact CD1-CG2 4.3Å; L426-V430 WeakPolarHBondContact O-CG2 3.27Å; L426-V430 PolarHBondContact O-N 2.92Å; P427-V430 PolarHBondContact O-N 3.34Å; V430-L432 PolarHBondContact O-N 2.81Å; V430-L432 VanDerWaalsContact O-N 3.16Å; V430-F433 VanDerWaalsContact O-CD2 3.24Å; V430-F433 WeakPolarHBondContact O-CD2 3.13Å; V430-F433 PolarHBondContact O-N 3.49Å; V430-F433 VanDerWaalsContact O-N 3.14Å; V430-L448 HydrophobicContact CG2-CD1 3.95Å; V430-L448 HydrophobicContact CG2-CD2 3.92Å; V430-I466 HydrophobicContact CG1-CB 3.76Å; V430-I466 HydrophobicContact CG1-CG1 4.04Å; V430-I466 HydrophobicContact CG2-CD1 4.31Å; V430-I466 HydrophobicContact CG2-CG1 4.44Å; V430-F469 HydrophobicContact CG1-CD2 3.83Å; V430-F469 HydrophobicContact CG1-CE2 4.18Å
431Q97.7Very high96.2Very high1 Ų128 Ų281%0.00516%0.157CC..Hα-helixtrans-62.9-20.2179.8-76.1164.1-16300113H294 P427 H428 I429 F433 L434 F469 F563 L567 A573H294-Q431 PolarHBondContact CE1-O 3.04Å; H294-Q431 PolarHBondContact NE2-O 2.96Å; P427-Q431 WeakPolarHBondContact O-CB 3.33Å; P427-Q431 WeakPolarHBondContact O-CG 3.28Å; P427-Q431 PolarHBondContact O-N 2.83Å; H428-Q431 PolarHBondContact O-N 3.39Å; I429-Q431 VanDerWaalsContact C-N 3.34Å; I429-Q431 PolarHBondContact O-N 3.02Å; Q431-F433 PolarHBondContact O-N 3.3Å; Q431-F433 VanDerWaalsContact O-N 3.08Å; Q431-L434 VanDerWaalsContact O-CB 3.31Å; Q431-L434 WeakPolarHBondContact O-CB 3.37Å; Q431-L434 PolarHBondContact O-N 3.48Å; Q431-F469 HydrophobicContact CG-CE2 3.95Å; Q431-F563 HydrophobicContact CG-CE1 4.05Å; Q431-F563 HydrophobicContact CG-CZ 4.02Å; Q431-L567 HydrophobicContact CB-CD1 4.41Å; Q431-A573 PolarHBondContact NE2-O 3.16Å; Q431-A573 PolarHBondContact OE1-O 3.09Å
432L97.7Very high96.2Very high3 Ų327.8 Ų27.82%0.01616%0.157CC..G310 helixtrans-59-20.1173.4-66.3174000113.5A290 L390 H428 I429 V430 L434 T435 I440 T444A290-L432 HydrophobicContact CB-CD1 4.3Å; A290-L432 WeakPolarHBondContact O-CD2 3.3Å; L390-L432 HydrophobicContact CD1-CD1 4.26Å; L390-L432 HydrophobicContact CD2-CD1 3.85Å; L390-L432 HydrophobicContact CG-CD1 4.34Å; H428-L432 PolarHBondContact O-N 3.21Å; I429-L432 WeakPolarHBondContact O-CB 3.12Å; I429-L432 PolarHBondContact O-N 3.45Å; V430-L432 PolarHBondContact O-N 2.81Å; V430-L432 VanDerWaalsContact O-N 3.16Å; L432-L434 PolarHBondContact O-N 3.32Å; L432-T435 HydrophobicContact CD2-CG2 4.34Å; L432-T435 WeakPolarHBondContact O-CB 3.17Å; L432-T435 WeakPolarHBondContact O-CG2 3.48Å; L432-T435 PolarHBondContact O-N 2.89Å; L432-T435 PolarHBondContact O-OG1 2.99Å; L432-I440 HydrophobicContact CB-CG2 3.87Å; L432-T444 HydrophobicContact CB-CG2 4.23Å
433F97.2Very high96.4Very high1 Ų128.4 Ų28.40%0.00416%0.156CC..G310 helixtrans-58.6-32.8169.4-77.2-58.5000112.8V430 Q431 T435 F436 V441 T444 A445 L448 I466 F469 A470 I481 L484V430-F433 VanDerWaalsContact O-CD2 3.24Å; V430-F433 WeakPolarHBondContact O-CD2 3.13Å; V430-F433 PolarHBondContact O-N 3.49Å; V430-F433 VanDerWaalsContact O-N 3.14Å; Q431-F433 PolarHBondContact O-N 3.3Å; Q431-F433 VanDerWaalsContact O-N 3.08Å; F433-T435 PolarHBondContact O-N 3.48Å; F433-F436 PolarHBondContact O-N 3.16Å; F433-V441 HydrophobicContact CD1-CB 4.34Å; F433-V441 HydrophobicContact CD1-CG1 3.93Å; F433-V441 HydrophobicContact CD1-CG2 4.26Å; F433-V441 HydrophobicContact CE1-CG1 3.99Å; F433-V441 WeakPolarHBondContact CE1-O 3.45Å; F433-T444 HydrophobicContact CD2-CG2 4.33Å; F433-T444 HydrophobicContact CE1-CG2 4.4Å; F433-T444 HydrophobicContact CE2-CG2 4.06Å; F433-T444 HydrophobicContact CZ-CG2 4.1Å; F433-A445 HydrophobicContact CE1-CB 4.1Å; F433-A445 HydrophobicContact CZ-CB 3.92Å; F433-L448 HydrophobicContact CD2-CD1 4.49Å; F433-L448 HydrophobicContact CE2-CD1 3.57Å; F433-L448 HydrophobicContact CZ-CD1 4.11Å; F433-I466 HydrophobicContact CD2-CG1 4.41Å; F433-I466 HydrophobicContact CE2-CD1 4.46Å; F433-I466 HydrophobicContact CE2-CG1 3.94Å; F433-F469 HydrophobicContact CB-CB 3.68Å; F433-A470 HydrophobicContact CD1-CB 4.21Å; F433-A470 HydrophobicContact CD2-CB 4.24Å; F433-A470 HydrophobicContact CE1-CB 4.27Å; F433-A470 HydrophobicContact CE2-CB 4.28Å; F433-A470 HydrophobicContact CG-CB 4.22Å; F433-A470 HydrophobicContact CZ-CB 4.3Å; F433-I481 HydrophobicContact CE1-CD1 4.49Å; F433-I481 HydrophobicContact CE1-CG1 3.99Å; F433-L484 HydrophobicContact CZ-CD2 4.22Å
434L95.3Very high96.6Very high14 Ų1423.5 Ų23.57%0.07312%0.121CC..G310 helixtrans-741177.2-62.9172.9000113.5Q431 L432 F436 F469 M472 F563 L567Q431-L434 VanDerWaalsContact O-CB 3.31Å; Q431-L434 WeakPolarHBondContact O-CB 3.37Å; Q431-L434 PolarHBondContact O-N 3.48Å; L432-L434 PolarHBondContact O-N 3.32Å; L434-F436 VanDerWaalsContact C-N 3.26Å; L434-F436 HydrophobicContact CD2-CE1 4.39Å; L434-F436 HydrophobicContact CD2-CE2 4.47Å; L434-F436 HydrophobicContact CD2-CZ 3.76Å; L434-F436 WeakPolarHBondContact O-CD2 3.36Å; L434-F436 WeakPolarHBondContact O-CE2 3.46Å; L434-F469 HydrophobicContact CD1-CD1 3.82Å; L434-F469 HydrophobicContact CD1-CD2 4.14Å; L434-F469 HydrophobicContact CD1-CE1 3.85Å; L434-F469 HydrophobicContact CD1-CE2 4.17Å; L434-F469 HydrophobicContact CD1-CG 3.99Å; L434-F469 HydrophobicContact CD1-CZ 4.01Å; L434-F469 HydrophobicContact CD2-CB 3.95Å; L434-F469 HydrophobicContact CD2-CD1 3.67Å; L434-F469 HydrophobicContact CD2-CE1 4.4Å; L434-F469 HydrophobicContact CD2-CG 3.89Å; L434-F469 HydrophobicContact CG-CB 3.99Å; L434-F469 HydrophobicContact CG-CD1 3.88Å; L434-F469 HydrophobicContact CG-CD2 4.18Å; L434-F469 HydrophobicContact CG-CE1 4.41Å; L434-F469 HydrophobicContact CG-CG 3.75Å; L434-M472 HydrophobicContact CD2-SD 4.43Å; L434-F563 HydrophobicContact CD1-CD1 4.07Å; L434-F563 HydrophobicContact CD1-CE1 3.81Å; L434-L567 HydrophobicContact CB-CD1 4.03Å; L434-L567 HydrophobicContact CD1-CD1 3.55Å; L434-L567 HydrophobicContact CG-CD1 4.44Å
435T92.9Very high96.8Very high1 Ų118 Ų181%0.00610%0.096CC..G310 helixtrans-72.1-25.2164.664.30000111.9A293 R299 L432 F433 E437 I440A293-T435 HydrophobicContact CB-CG2 4.02Å; R299-T435 WeakPolarHBondContact CD-O 3.38Å; R299-T435 PolarHBondContact NE-O 2.9Å; R299-T435 VanDerWaalsContact NE-O 3.13Å; L432-T435 HydrophobicContact CD2-CG2 4.34Å; L432-T435 WeakPolarHBondContact O-CB 3.17Å; L432-T435 WeakPolarHBondContact O-CG2 3.48Å; L432-T435 PolarHBondContact O-N 2.89Å; L432-T435 PolarHBondContact O-OG1 2.99Å; F433-T435 PolarHBondContact O-N 3.48Å; T435-E437 PolarHBondContact O-N 3.36Å; T435-E437 PolarHBondContact OG1-N 3.13Å; T435-I440 HydrophobicContact CG2-CD1 4.34Å; T435-I440 HydrophobicContact CG2-CG2 4.36Å; T435-I440 WeakPolarHBondContact OG1-CG2 3.36Å
436F93Very high96.9Very high41 Ų4120.1 Ų20.118%0.1811%0.109CC..  trans53.516.6-172.7-51.6-65.8000114.5F302 F433 L434 M472 Y473F302-F436 HydrophobicContact CB-CD2 4.14Å; F302-F436 HydrophobicContact CB-CE2 4.19Å; F302-F436 HydrophobicContact CG-CD2 4.49Å; F302-F436 HydrophobicContact CG-CE2 4.34Å; F433-F436 PolarHBondContact O-N 3.16Å; L434-F436 VanDerWaalsContact C-N 3.26Å; L434-F436 HydrophobicContact CD2-CE1 4.39Å; L434-F436 HydrophobicContact CD2-CE2 4.47Å; L434-F436 HydrophobicContact CD2-CZ 3.76Å; L434-F436 WeakPolarHBondContact O-CD2 3.36Å; L434-F436 WeakPolarHBondContact O-CE2 3.46Å; F436-M472 HydrophobicContact CE1-CB 3.76Å; F436-M472 HydrophobicContact CE1-CE 4.49Å; F436-M472 HydrophobicContact CZ-CB 4.2Å; F436-M472 HydrophobicContact CZ-CE 3.81Å; F436-Y473 HydrophobicContact CB-CD2 4.43Å; F436-Y473 HydrophobicContact CD1-CD2 4.31Å; F436-Y473 WeakPolarHBondContact O-CE2 3.35Å
437E93.3Very high96.9Very high54 Ų5419.7 Ų19.725%0.25211%0.106SC..  trans-81.9122.7177.3-75-60.7145.700109.9R299 T383 T435 N439 I440 V441R299-E437 IonicContact NE-OE1 3.83Å; R299-E437 PolarHBondContact NE-OE1 3.07Å; T383-E437 HydrophobicContact CG2-CG 4.08Å; T435-E437 PolarHBondContact O-N 3.36Å; T435-E437 PolarHBondContact OG1-N 3.13Å; E437-N439 VanDerWaalsContact C-N 3.32Å; E437-N439 PolarHBondContact O-N 3.21Å; E437-N439 VanDerWaalsContact O-N 3.17Å; E437-I440 HydrophobicContact CB-CB 3.95Å; E437-I440 HydrophobicContact CB-CD1 3.96Å; E437-I440 HydrophobicContact CB-CG1 3.96Å; E437-I440 HydrophobicContact CG-CD1 4.24Å; E437-I440 PolarHBondContact O-N 2.87Å; E437-V441 WeakPolarHBondContact O-CB 3.32Å; E437-V441 VanDerWaalsContact O-CG2 3.31Å; E437-V441 WeakPolarHBondContact O-CG2 3.4Å; E437-V441 PolarHBondContact O-N 2.84Å
438P94.5Very high97Very high55 Ų5518.9 Ų18.936%0.35710%0.101SC..Hα-helixtrans-49.8-48.9-173.4-2933.3000114.3V441 A442 Y473 N477P438-V441 PolarHBondContact O-N 3.45Å; P438-A442 WeakPolarHBondContact O-CB 3.16Å; P438-A442 PolarHBondContact O-N 3.21Å; P438-Y473 VanDerWaalsContact CA-OH 3.25Å; P438-Y473 WeakPolarHBondContact CA-OH 3.44Å; P438-Y473 WeakPolarHBondContact CB-OH 3.42Å; P438-Y473 WeakPolarHBondContact CG-OH 3.34Å; P438-N477 PolarHBondContact O-ND2 3.04Å
439N96.3Very high96.9Very high103 Ų10319.2 Ų19.255%0.55111%0.105SC*.Hα-helixtrans-69.8-36.6-178-67.2-48.9000112.8N387 E437 K443N387-N439 WeakPolarHBondContact OD1-CB 3.43Å; E437-N439 VanDerWaalsContact C-N 3.32Å; E437-N439 PolarHBondContact O-N 3.21Å; E437-N439 VanDerWaalsContact O-N 3.17Å; N439-K443 VanDerWaalsContact O-CB 3.32Å; N439-K443 WeakPolarHBondContact O-CB 3.46Å; N439-K443 WeakPolarHBondContact O-CD 3.46Å; N439-K443 WeakPolarHBondContact O-CG 3.35Å; N439-K443 PolarHBondContact O-N 3.42Å; N439-K443 VanDerWaalsContact O-N 3.13Å
440I97.1Very high96.9Very high0 Ų021.4 Ų21.40%012%0.117CC..Hα-helixtrans-68.3-46.5177.5-66.3-176.8000109.2A293 T383 A386 L390 L432 T435 E437 K443 T444A293-I440 HydrophobicContact CB-CD1 3.87Å; T383-I440 HydrophobicContact CG2-CD1 4Å; A386-I440 HydrophobicContact CB-CD1 3.95Å; L390-I440 HydrophobicContact CD1-CB 4.37Å; L390-I440 HydrophobicContact CD1-CG2 3.9Å; L432-I440 HydrophobicContact CB-CG2 3.87Å; T435-I440 HydrophobicContact CG2-CD1 4.34Å; T435-I440 HydrophobicContact CG2-CG2 4.36Å; T435-I440 WeakPolarHBondContact OG1-CG2 3.36Å; E437-I440 HydrophobicContact CB-CB 3.95Å; E437-I440 HydrophobicContact CB-CD1 3.96Å; E437-I440 HydrophobicContact CB-CG1 3.96Å; E437-I440 HydrophobicContact CG-CD1 4.24Å; E437-I440 PolarHBondContact O-N 2.87Å; I440-K443 PolarHBondContact O-N 3.42Å; I440-T444 WeakPolarHBondContact O-CB 3.27Å; I440-T444 PolarHBondContact O-N 3.12Å; I440-T444 PolarHBondContact O-OG1 3.04Å
441V97.4Very high96.8Very high0 Ų021.4 Ų21.40%012%0.117CC..Hα-helixtrans-56.8-53.5178.9166.20000111F433 E437 P438 K443 T444 A445 Y473 I481F433-V441 HydrophobicContact CD1-CB 4.34Å; F433-V441 HydrophobicContact CD1-CG1 3.93Å; F433-V441 HydrophobicContact CD1-CG2 4.26Å; F433-V441 HydrophobicContact CE1-CG1 3.99Å; F433-V441 WeakPolarHBondContact CE1-O 3.45Å; E437-V441 WeakPolarHBondContact O-CB 3.32Å; E437-V441 VanDerWaalsContact O-CG2 3.31Å; E437-V441 WeakPolarHBondContact O-CG2 3.4Å; E437-V441 PolarHBondContact O-N 2.84Å; P438-V441 PolarHBondContact O-N 3.45Å; V441-K443 PolarHBondContact O-N 3.16Å; V441-T444 PolarHBondContact O-N 3.05Å; V441-A445 PolarHBondContact O-N 3.32Å; V441-Y473 HydrophobicContact CB-CE2 4.42Å; V441-Y473 HydrophobicContact CG1-CD1 3.87Å; V441-Y473 HydrophobicContact CG1-CD2 4.31Å; V441-Y473 HydrophobicContact CG1-CE1 3.98Å; V441-Y473 HydrophobicContact CG1-CE2 4.43Å; V441-Y473 HydrophobicContact CG1-CG 4.04Å; V441-Y473 HydrophobicContact CG2-CD2 3.91Å; V441-Y473 HydrophobicContact CG2-CE2 3.99Å; V441-Y473 HydrophobicContact CG2-CG 4.39Å; V441-I481 HydrophobicContact CG1-CD1 3.55Å; V441-I481 HydrophobicContact CG1-CG1 4.09Å
442A98Very high96.6Very high14 Ų1421.4 Ų21.412%0.11612%0.117CC..Hα-helixtrans-60.4-48.1-179.900000111.9P438 T444 A445 V446 E480P438-A442 WeakPolarHBondContact O-CB 3.16Å; P438-A442 PolarHBondContact O-N 3.21Å; A442-T444 PolarHBondContact O-N 3.15Å; A442-A445 PolarHBondContact O-N 3.07Å; A442-V446 WeakPolarHBondContact O-CG2 3.26Å; A442-V446 PolarHBondContact O-N 2.97Å; A442-E480 HydrophobicContact CB-CG 4.39Å
443K98.6Very high96.4Very high46 Ų4623.7 Ų23.720%0.213%0.131CC..Hα-helixtrans-66.8-35.9-180-69.7172-177.71760112.9N387 L390 N391 N439 I440 V441 V446 L447N387-K443 PolarHBondContact O-NZ 3.14Å; N387-K443 VanDerWaalsContact O-NZ 3.14Å; N387-K443 PolarHBondContact OD1-NZ 2.87Å; L390-K443 HydrophobicContact CB-CB 3.89Å; L390-K443 HydrophobicContact CB-CD 4.29Å; L390-K443 HydrophobicContact CD1-CB 3.97Å; N391-K443 PolarHBondContact ND2-NZ 3.19Å; N391-K443 VanDerWaalsContact OD1-CD 3.28Å; N391-K443 WeakPolarHBondContact OD1-CD 3.41Å; N391-K443 WeakPolarHBondContact OD1-CE 3.39Å; N439-K443 VanDerWaalsContact O-CB 3.32Å; N439-K443 WeakPolarHBondContact O-CB 3.46Å; N439-K443 WeakPolarHBondContact O-CD 3.46Å; N439-K443 WeakPolarHBondContact O-CG 3.35Å; N439-K443 PolarHBondContact O-N 3.42Å; N439-K443 VanDerWaalsContact O-N 3.13Å; I440-K443 PolarHBondContact O-N 3.42Å; V441-K443 PolarHBondContact O-N 3.16Å; K443-V446 PolarHBondContact O-N 2.88Å; K443-L447 WeakPolarHBondContact O-CB 3.4Å; K443-L447 PolarHBondContact O-N 3.22Å
444T98.6Very high96Very high0 Ų025.2 Ų25.20%014%0.139CC..Hα-helixtrans-63.4-44.7174.9-610000110L390 I429 L432 F433 I440 V441 A442 V446 L447 L448L390-T444 WeakPolarHBondContact CD1-OG1 3.43Å; I429-T444 HydrophobicContact CG2-CG2 4.23Å; I429-T444 WeakPolarHBondContact O-CG2 3.37Å; L432-T444 HydrophobicContact CB-CG2 4.23Å; F433-T444 HydrophobicContact CD2-CG2 4.33Å; F433-T444 HydrophobicContact CE1-CG2 4.4Å; F433-T444 HydrophobicContact CE2-CG2 4.06Å; F433-T444 HydrophobicContact CZ-CG2 4.1Å; I440-T444 WeakPolarHBondContact O-CB 3.27Å; I440-T444 PolarHBondContact O-N 3.12Å; I440-T444 PolarHBondContact O-OG1 3.04Å; V441-T444 PolarHBondContact O-N 3.05Å; A442-T444 PolarHBondContact O-N 3.15Å; T444-V446 PolarHBondContact O-N 3.22Å; T444-L447 PolarHBondContact O-N 3.24Å; T444-L448 HydrophobicContact CG2-CD1 3.75Å; T444-L448 HydrophobicContact CG2-CG 4.32Å; T444-L448 WeakPolarHBondContact O-CB 3.18Å; T444-L448 VanDerWaalsContact O-CG 3.27Å; T444-L448 WeakPolarHBondContact O-CG 3.35Å; T444-L448 PolarHBondContact O-N 2.91Å
445A98.5Very high95.9Very high0 Ų025.5 Ų25.50%014%0.142CC..Hα-helixtrans-62-41.9176.600000112.7F433 V441 A442 S449 E480 I481 L484F433-A445 HydrophobicContact CE1-CB 4.1Å; F433-A445 HydrophobicContact CZ-CB 3.92Å; V441-A445 PolarHBondContact O-N 3.32Å; A442-A445 PolarHBondContact O-N 3.07Å; A445-S449 WeakPolarHBondContact O-CB 3.35Å; A445-S449 PolarHBondContact O-N 2.74Å; A445-S449 PolarHBondContact O-OG 3.49Å; A445-E480 HydrophobicContact CB-CB 3.86Å; A445-E480 WeakPolarHBondContact CB-O 3.41Å; A445-I481 HydrophobicContact CB-CG1 4.27Å; A445-L484 HydrophobicContact CB-CD2 4.32Å
446V98.4Very high95.8Very high46 Ų4631.7 Ų31.728%0.27917%0.174SC..Hα-helixtrans-62.7-48.2174.6172.30000111.5T394 A442 K443 T444 L448 S449 L450 E480T394-V446 HydrophobicContact CG2-CG1 4.24Å; A442-V446 WeakPolarHBondContact O-CG2 3.26Å; A442-V446 PolarHBondContact O-N 2.97Å; K443-V446 PolarHBondContact O-N 2.88Å; T444-V446 PolarHBondContact O-N 3.22Å; V446-L448 PolarHBondContact O-N 3.44Å; V446-S449 PolarHBondContact O-N 3.23Å; V446-L450 WeakPolarHBondContact O-CG 3.37Å; V446-L450 PolarHBondContact O-N 3.48Å; V446-L450 VanDerWaalsContact O-N 3.08Å; V446-E480 HydrophobicContact CG2-CB 4.2Å; V446-E480 HydrophobicContact CG2-CG 3.82Å
447L98.5Very high95.8Very high0 Ų031.1 Ų31.10%017%0.173CC..Hα-helixtrans-60.3-47.3178.617660.3000111L390 L393 V397 I429 K443 T444 S449 L450 L451L390-L447 HydrophobicContact CD2-CD2 3.82Å; L393-L447 HydrophobicContact CB-CD1 4.11Å; L393-L447 HydrophobicContact CB-CD2 3.93Å; L393-L447 HydrophobicContact CD1-CD2 4Å; V397-L447 HydrophobicContact CG2-CD1 3.94Å; I429-L447 HydrophobicContact CG2-CD2 4.09Å; K443-L447 WeakPolarHBondContact O-CB 3.4Å; K443-L447 PolarHBondContact O-N 3.22Å; T444-L447 PolarHBondContact O-N 3.24Å; L447-S449 PolarHBondContact O-N 3.47Å; L447-L450 WeakPolarHBondContact O-CB 3.15Å; L447-L450 PolarHBondContact O-N 2.79Å; L447-L451 HydrophobicContact CD1-CD1 4.12Å; L447-L451 HydrophobicContact CD1-CG 4.17Å; L447-L451 HydrophobicContact CG-CD1 3.98Å; L447-L451 HydrophobicContact CG-CG 4.43Å; L447-L451 WeakPolarHBondContact O-CG 3.31Å; L447-L451 PolarHBondContact O-N 2.98Å
448L98.3Very high95.8Very high0 Ų029.1 Ų29.10%017%0.165CC..Hα-helixtrans-61.8-43.9178.8-72.7170.6000111.1L426 I429 V430 F433 T444 V446 L450 L451 I452 I466 L484L426-L448 HydrophobicContact CD1-CD2 3.79Å; I429-L448 HydrophobicContact CB-CD2 4.5Å; I429-L448 HydrophobicContact CG2-CD2 3.78Å; I429-L448 HydrophobicContact CG2-CG 4.04Å; V430-L448 HydrophobicContact CG2-CD1 3.95Å; V430-L448 HydrophobicContact CG2-CD2 3.92Å; F433-L448 HydrophobicContact CD2-CD1 4.49Å; F433-L448 HydrophobicContact CE2-CD1 3.57Å; F433-L448 HydrophobicContact CZ-CD1 4.11Å; T444-L448 HydrophobicContact CG2-CD1 3.75Å; T444-L448 HydrophobicContact CG2-CG 4.32Å; T444-L448 WeakPolarHBondContact O-CB 3.18Å; T444-L448 VanDerWaalsContact O-CG 3.27Å; T444-L448 WeakPolarHBondContact O-CG 3.35Å; T444-L448 PolarHBondContact O-N 2.91Å; V446-L448 PolarHBondContact O-N 3.44Å; L448-L450 VanDerWaalsContact C-N 3.28Å; L448-L450 PolarHBondContact O-N 3.24Å; L448-L451 PolarHBondContact O-N 2.83Å; L448-I452 WeakPolarHBondContact O-CG1 3.38Å; L448-I452 WeakPolarHBondContact O-CG2 3.5Å; L448-I452 PolarHBondContact O-N 2.8Å; L448-I466 HydrophobicContact CD1-CD1 3.93Å; L448-L484 HydrophobicContact CB-CD1 4.14Å; L448-L484 HydrophobicContact CB-CD2 3.9Å; L448-L484 HydrophobicContact CD1-CD2 4.24Å
449S97.4Very high95.6Very high23 Ų2328.8 Ų28.816%0.16116%0.162CC..Hα-helixtrans-55.6-45.3176.3-62.20000111.5A445 V446 L447 T453 L484A445-S449 WeakPolarHBondContact O-CB 3.35Å; A445-S449 PolarHBondContact O-N 2.74Å; A445-S449 PolarHBondContact O-OG 3.49Å; V446-S449 PolarHBondContact O-N 3.23Å; L447-S449 PolarHBondContact O-N 3.47Å; S449-T453 PolarHBondContact O-N 3.46Å; S449-T453 PolarHBondContact O-OG1 3.46Å; S449-L484 WeakPolarHBondContact OG-CA 3.47Å; S449-L484 WeakPolarHBondContact OG-CB 3.31Å
450L96.8Very high95.4Very high48 Ų4831.2 Ų31.225%0.25116%0.164SC..Hα-helixtrans-62.5-46.9175.1-67.8174.3000111.3T394 V397 R398 R417 V446 L447 L448T394-L450 HydrophobicContact CG2-CD1 3.83Å; V397-L450 HydrophobicContact CG1-CB 3.9Å; V397-L450 HydrophobicContact CG1-CD1 4.5Å; R398-L450 HydrophobicContact CG-CD1 4.12Å; R417-L450 PolarHBondContact NH1-O 2.76Å; R417-L450 PolarHBondContact NH2-O 3.27Å; V446-L450 WeakPolarHBondContact O-CG 3.37Å; V446-L450 PolarHBondContact O-N 3.48Å; V446-L450 VanDerWaalsContact O-N 3.08Å; L447-L450 WeakPolarHBondContact O-CB 3.15Å; L447-L450 PolarHBondContact O-N 2.79Å; L448-L450 VanDerWaalsContact C-N 3.28Å; L448-L450 PolarHBondContact O-N 3.24Å
451L96.9Very high95.3Very high0 Ų031.3 Ų31.30%016%0.164CC..Hα-helixtrans-66.3-40.7-176.2-72.2176000113.8V397 R417 L420 T421 I429 L447 L448V397-L451 HydrophobicContact CG1-CD2 4.36Å; V397-L451 HydrophobicContact CG2-CD2 3.77Å; R417-L451 HydrophobicContact CG-CD2 4.32Å; R417-L451 PolarHBondContact NH1-O 3.01Å; R417-L451 VanDerWaalsContact NH1-O 3.08Å; L420-L451 HydrophobicContact CB-CD1 3.85Å; L420-L451 HydrophobicContact CB-CD2 3.81Å; L420-L451 HydrophobicContact CD1-CD1 4.39Å; L420-L451 HydrophobicContact CD1-CD2 3.96Å; T421-L451 HydrophobicContact CG2-CB 4.22Å; I429-L451 HydrophobicContact CD1-CD1 4.17Å; L447-L451 HydrophobicContact CD1-CD1 4.12Å; L447-L451 HydrophobicContact CD1-CG 4.17Å; L447-L451 HydrophobicContact CG-CD1 3.98Å; L447-L451 HydrophobicContact CG-CG 4.43Å; L447-L451 WeakPolarHBondContact O-CG 3.31Å; L447-L451 PolarHBondContact O-N 2.98Å; L448-L451 PolarHBondContact O-N 2.83Å
452I93.9Very high95.1Very high1 Ų133.1 Ų33.11%0.00517%0.171CC..Hα-helixtrans-83.2-19.9-172.765.384.4000112.9L448 D454 S455 L458 L461 L484 V488L448-I452 WeakPolarHBondContact O-CG1 3.38Å; L448-I452 WeakPolarHBondContact O-CG2 3.5Å; L448-I452 PolarHBondContact O-N 2.8Å; I452-D454 PolarHBondContact O-N 2.98Å; I452-S455 WeakPolarHBondContact O-CB 3.37Å; I452-S455 PolarHBondContact O-N 3.16Å; I452-L458 HydrophobicContact CD1-CD1 4.01Å; I452-L458 WeakPolarHBondContact O-CD1 3.27Å; I452-L461 HydrophobicContact CB-CD2 4.37Å; I452-L461 HydrophobicContact CG2-CD1 4.04Å; I452-L461 HydrophobicContact CG2-CD2 3.74Å; I452-L484 HydrophobicContact CD1-CD1 4.29Å; I452-L484 HydrophobicContact CG1-CD1 3.9Å; I452-V488 HydrophobicContact CD1-CG2 3.34Å; I452-V488 HydrophobicContact CG1-CG2 3.97Å
453T92.5Very high95Very high51 Ų5135.7 Ų35.731%0.31318%0.183SC..THydrogen-bonded Turntrans-54.8123174.9-63.50000110.4R417 S449 S455R417-T453 PolarHBondContact NH1-O 3.35Å; S449-T453 PolarHBondContact O-N 3.46Å; S449-T453 PolarHBondContact O-OG1 3.46Å; T453-S455 PolarHBondContact O-N 2.84Å; T453-S455 VanDerWaalsContact O-N 3.16Å
454D90.6Very high94.8Very high32 Ų3234.3 Ų34.317%0.17118%0.178CC..THydrogen-bonded Turntrans54.724.6-175.2-49-53.1000114.8S402 R403 I409 R411 I452S402-D454 PolarHBondContact OG-OD2 3.21Å; R403-D454 WeakPolarHBondContact CG-OD2 3.35Å; R403-D454 IonicContact CZ-OD1 3.02Å; R403-D454 IonicContact CZ-OD2 3.72Å; R403-D454 IonicContact NE-OD1 3.73Å; R403-D454 PolarHBondContact NE-OD1 3.2Å; R403-D454 IonicContact NE-OD2 3.84Å; R403-D454 PolarHBondContact NE-OD2 3.26Å; R403-D454 IonicContact NH2-OD1 2.73Å; R403-D454 PolarHBondContact NH2-OD1 3.14Å; R403-D454 IonicContact NH2-OD2 3.52Å; I409-D454 HydrophobicContact CG2-CB 4.11Å; R411-D454 VanDerWaalsContact CZ-O 3.32Å; R411-D454 PolarHBondContact NH1-O 3.36Å; R411-D454 PolarHBondContact NH2-O 3.15Å; I452-D454 PolarHBondContact O-N 2.98Å
455S92.2Very high94.7Very high20 Ų2034.4 Ų34.414%0.1418%0.179CC..  trans-91143.7-177.4-167.80000112.9I452 T453 V457 L458I452-S455 WeakPolarHBondContact O-CB 3.37Å; I452-S455 PolarHBondContact O-N 3.16Å; T453-S455 PolarHBondContact O-N 2.84Å; T453-S455 VanDerWaalsContact O-N 3.16Å; S455-V457 PolarHBondContact O-N 3.27Å; S455-V457 WeakPolarHBondContact OG-CG2 3.08Å; S455-L458 VanDerWaalsContact O-CB 3.26Å; S455-L458 WeakPolarHBondContact O-CB 3.16Å; S455-L458 PolarHBondContact O-N 3.46Å
456I91.4Very high94.6Very high132 Ų13234.4 Ų34.468%0.67718%0.179SC*.THydrogen-bonded Turntrans-70.1-19.6176.460.5168.4000113.1L458 P459I456-L458 VanDerWaalsContact C-N 3.32Å; I456-P459 WeakPolarHBondContact O-CD 3.29Å
457V92.5Very high94.5Very high28 Ų2832.4 Ų32.417%0.1717%0.167CC..THydrogen-bonded Turntrans-79.6-15.8175.6-80.80000112.7T421 L426 S455 P459 R460 L461T421-V457 HydrophobicContact CG2-CG2 4Å; L426-V457 HydrophobicContact CD2-CG2 4.43Å; S455-V457 PolarHBondContact O-N 3.27Å; S455-V457 WeakPolarHBondContact OG-CG2 3.08Å; V457-P459 VanDerWaalsContact C-CD 3.49Å; V457-R460 CarbonylContact O-C 3.59Å; V457-R460 PolarHBondContact O-N 2.88Å; V457-L461 PolarHBondContact O-N 3.46Å
458L92.7Very high94.4Very high13 Ų1332.6 Ų32.67%0.06817%0.168CC..G310 helixtrans-50.2-47-174.5-172.2163.7000113.1I452 S455 I456 R460 L461 K491 Q492I452-L458 HydrophobicContact CD1-CD1 4.01Å; I452-L458 WeakPolarHBondContact O-CD1 3.27Å; S455-L458 VanDerWaalsContact O-CB 3.26Å; S455-L458 WeakPolarHBondContact O-CB 3.16Å; S455-L458 PolarHBondContact O-N 3.46Å; I456-L458 VanDerWaalsContact C-N 3.32Å; L458-R460 PolarHBondContact O-N 3.28Å; L458-R460 VanDerWaalsContact O-N 3.13Å; L458-L461 WeakPolarHBondContact O-CB 3.25Å; L458-L461 PolarHBondContact O-N 3.14Å; L458-L461 VanDerWaalsContact O-N 3.16Å; L458-K491 HydrophobicContact CD1-CD 4.21Å; L458-K491 HydrophobicContact CD2-CB 3.31Å; L458-K491 HydrophobicContact CD2-CD 4.07Å; L458-K491 HydrophobicContact CD2-CG 4.36Å; L458-Q492 PolarHBondContact O-NE2 2.95Å; L458-Q492 PolarHBondContact O-OE1 3.18Å
459P91.2Very high94.4Very high47 Ų4732.6 Ų32.631%0.30517%0.168SC..G310 helixtrans-67-16.5-176.9-20.934.2000114.7I456 V457 Y462 K491 A493I456-P459 WeakPolarHBondContact O-CD 3.29Å; V457-P459 VanDerWaalsContact C-CD 3.49Å; P459-Y462 WeakPolarHBondContact O-CD1 3.4Å; P459-Y462 WeakPolarHBondContact O-CE1 3.4Å; P459-K491 WeakPolarHBondContact CA-O 3.38Å; P459-A493 HydrophobicContact CB-CB 3.74Å; P459-A493 PolarHBondContact O-N 3.41Å
460R92.8Very high94.4Very high155 Ų15531.7 Ų31.759%0.58516%0.161SC*.G310 helixtrans-112.46.3179.6-69.3-174.8-68.4176.5-1112.6V457 L458 Y462 L463V457-R460 CarbonylContact O-C 3.59Å; V457-R460 PolarHBondContact O-N 2.88Å; L458-R460 PolarHBondContact O-N 3.28Å; L458-R460 VanDerWaalsContact O-N 3.13Å; R460-Y462 PolarHBondContact O-N 3.13Å; R460-L463 HydrophobicContact CB-CD1 4.08Å; R460-L463 HydrophobicContact CG-CD1 4.37Å; R460-L463 VanDerWaalsContact O-CB 3.31Å; R460-L463 WeakPolarHBondContact O-CB 3.36Å; R460-L463 WeakPolarHBondContact O-CG 3.49Å; R460-L463 PolarHBondContact O-N 3.27Å
461L94.6Very high94.4Very high2 Ų229.5 Ų29.51%0.0115%0.15CC..G310 helixtrans-59.9-32.2-177.7-173.868.4000111.4L426 I452 V457 L458 L463 T464 I466 V488L426-L461 HydrophobicContact CD1-CD1 4.31Å; L426-L461 HydrophobicContact CD2-CD1 4.04Å; L426-L461 HydrophobicContact CG-CD1 4.5Å; I452-L461 HydrophobicContact CB-CD2 4.37Å; I452-L461 HydrophobicContact CG2-CD1 4.04Å; I452-L461 HydrophobicContact CG2-CD2 3.74Å; V457-L461 PolarHBondContact O-N 3.46Å; L458-L461 WeakPolarHBondContact O-CB 3.25Å; L458-L461 PolarHBondContact O-N 3.14Å; L458-L461 VanDerWaalsContact O-N 3.16Å; L461-L463 PolarHBondContact O-N 2.97Å; L461-T464 PolarHBondContact O-N 3.47Å; L461-T464 PolarHBondContact O-OG1 3.42Å; L461-I466 HydrophobicContact CD1-CD1 4.45Å; L461-I466 HydrophobicContact CD2-CD1 3.74Å; L461-I466 HydrophobicContact CD2-CG2 4.5Å; L461-I466 HydrophobicContact CG-CD1 4.08Å; L461-I466 HydrophobicContact CG-CG2 4.18Å; L461-V488 HydrophobicContact CD2-CG1 3.87Å; L461-V488 HydrophobicContact CD2-CG2 3.99Å
462Y93.2Very high94.3Very high37 Ų3729.6 Ų29.615%0.14515%0.15CC..G310 helixtrans-55.1-26.6175.975.3-85.2000114.2P459 R460 T464 G465 Q492 I508 Y577P459-Y462 WeakPolarHBondContact O-CD1 3.4Å; P459-Y462 WeakPolarHBondContact O-CE1 3.4Å; R460-Y462 PolarHBondContact O-N 3.13Å; Y462-T464 PolarHBondContact O-N 2.87Å; Y462-G465 PolarHBondContact O-N 3.02Å; Y462-G465 VanDerWaalsContact O-N 3.17Å; Y462-Q492 HydrophobicContact CD1-CB 4.35Å; Y462-Q492 VanDerWaalsContact CD1-OE1 3.29Å; Y462-I508 HydrophobicContact CD2-CD1 4.16Å; Y462-Y577 HydrophobicContact CD2-CE1 4.09Å; Y462-Y577 AromaticContact CD2-CE2 3.87Å; Y462-Y577 HydrophobicContact CD2-CE2 3.87Å; Y462-Y577 AromaticContact CD2-CZ 3.61Å; Y462-Y577 HydrophobicContact CE2-CD1 4.45Å; Y462-Y577 AromaticContact CE2-CE1 3.79Å; Y462-Y577 HydrophobicContact CE2-CE1 3.79Å; Y462-Y577 HydrophobicContact CE2-CE2 4.41Å; Y462-Y577 AromaticContact CE2-CZ 3.78Å; Y462-Y577 WeakPolarHBondContact O-CD2 3.32Å; Y462-Y577 WeakPolarHBondContact O-CE2 3.44Å
463L94.6Very high94.4Very high68 Ų6829.9 Ų29.936%0.35615%0.151SC..G310 helixtrans-67.5-14.1178.3-61.5177.7000113.4R460 L461 G465 Y577R460-L463 HydrophobicContact CB-CD1 4.08Å; R460-L463 HydrophobicContact CG-CD1 4.37Å; R460-L463 VanDerWaalsContact O-CB 3.31Å; R460-L463 WeakPolarHBondContact O-CB 3.36Å; R460-L463 WeakPolarHBondContact O-CG 3.49Å; R460-L463 PolarHBondContact O-N 3.27Å; L461-L463 PolarHBondContact O-N 2.97Å; L463-G465 PolarHBondContact O-N 3.47Å; L463-Y577 HydrophobicContact CB-CG 4.49Å; L463-Y577 HydrophobicContact CD2-CD1 3.47Å; L463-Y577 VanDerWaalsContact CD2-CD1 3.47Å; L463-Y577 HydrophobicContact CD2-CD2 4.41Å; L463-Y577 HydrophobicContact CD2-CE1 3.99Å; L463-Y577 HydrophobicContact CD2-CG 3.7Å; L463-Y577 WeakPolarHBondContact O-CB 3.47Å
464T95.9Very high94.3Very high18 Ų1830.8 Ų30.811%0.1116%0.16CC..G310 helixtrans-81.6-3.1175.665.20000112.8L426 L461 Y462 I466 F469L426-T464 HydrophobicContact CD2-CG2 4.33Å; L426-T464 HydrophobicContact CG-CG2 4.34Å; L461-T464 PolarHBondContact O-N 3.47Å; L461-T464 PolarHBondContact O-OG1 3.42Å; Y462-T464 PolarHBondContact O-N 2.87Å; T464-I466 VanDerWaalsContact C-N 3.28Å; T464-F469 VanDerWaalsContact O-CE2 3.27Å; T464-F469 WeakPolarHBondContact O-CE2 3.43Å
465G95.6Very high94.3Very high1 Ų130.1 Ų30.11%0.0116%0.161CC..THydrogen-bonded Turntrans78.89.9-173.700000113.9Y462 L463 F467 F468 F469Y462-G465 PolarHBondContact O-N 3.02Å; Y462-G465 VanDerWaalsContact O-N 3.17Å; L463-G465 PolarHBondContact O-N 3.47Å; G465-F467 VanDerWaalsContact C-N 3.25Å; G465-F467 PolarHBondContact O-N 3.17Å; G465-F467 VanDerWaalsContact O-N 3.11Å; G465-F468 WeakPolarHBondContact O-CB 3.25Å; G465-F468 PolarHBondContact O-N 2.66Å; G465-F469 WeakPolarHBondContact O-CG 3.5Å; G465-F469 PolarHBondContact O-N 3.04Å
466I97.2Very high94.3Very high1 Ų133.7 Ų33.71%0.00519%0.185CC..Hα-helixtrans-50.7-41.7-174.2-166.7172.3000113.8V430 F433 L448 L461 T464 A470 L484V430-I466 HydrophobicContact CG1-CB 3.76Å; V430-I466 HydrophobicContact CG1-CG1 4.04Å; V430-I466 HydrophobicContact CG2-CD1 4.31Å; V430-I466 HydrophobicContact CG2-CG1 4.44Å; F433-I466 HydrophobicContact CD2-CG1 4.41Å; F433-I466 HydrophobicContact CE2-CD1 4.46Å; F433-I466 HydrophobicContact CE2-CG1 3.94Å; L448-I466 HydrophobicContact CD1-CD1 3.93Å; L461-I466 HydrophobicContact CD1-CD1 4.45Å; L461-I466 HydrophobicContact CD2-CD1 3.74Å; L461-I466 HydrophobicContact CD2-CG2 4.5Å; L461-I466 HydrophobicContact CG-CD1 4.08Å; L461-I466 HydrophobicContact CG-CG2 4.18Å; T464-I466 VanDerWaalsContact C-N 3.28Å; I466-A470 WeakPolarHBondContact O-CB 3.48Å; I466-A470 PolarHBondContact O-N 2.99Å; I466-L484 HydrophobicContact CD1-CD2 3.88Å
467F96.3Very high94.5Very high4 Ų429.5 Ų29.52%0.01816%0.164CC..Hα-helixtrans-70.3-38.6-179.6-65.8-78000111.8G465 L471 F485 V488 H489 I508 L509 L512G465-F467 VanDerWaalsContact C-N 3.25Å; G465-F467 PolarHBondContact O-N 3.17Å; G465-F467 VanDerWaalsContact O-N 3.11Å; F467-L471 VanDerWaalsContact O-CB 3.23Å; F467-L471 WeakPolarHBondContact O-CB 3.43Å; F467-L471 WeakPolarHBondContact O-CD1 3.31Å; F467-L471 VanDerWaalsContact O-CG 3.27Å; F467-L471 WeakPolarHBondContact O-CG 3.16Å; F467-L471 PolarHBondContact O-N 2.96Å; F467-L471 VanDerWaalsContact O-N 3.09Å; F467-F485 HydrophobicContact CB-CZ 4.48Å; F467-F485 HydrophobicContact CD1-CD1 4Å; F467-F485 HydrophobicContact CD1-CD2 4.21Å; F467-F485 AromaticContact CD1-CE1 3.65Å; F467-F485 HydrophobicContact CD1-CE1 3.65Å; F467-F485 AromaticContact CD1-CE2 3.88Å; F467-F485 HydrophobicContact CD1-CE2 3.88Å; F467-F485 HydrophobicContact CD1-CG 4.28Å; F467-F485 AromaticContact CD1-CZ 3.58Å; F467-F485 HydrophobicContact CD1-CZ 3.58Å; F467-F485 AromaticContact CE1-CD1 3.82Å; F467-F485 HydrophobicContact CE1-CD1 3.82Å; F467-F485 HydrophobicContact CE1-CD2 4.34Å; F467-F485 AromaticContact CE1-CE1 3.93Å; F467-F485 HydrophobicContact CE1-CE1 3.93Å; F467-F485 HydrophobicContact CE1-CE2 4.44Å; F467-F485 HydrophobicContact CE1-CG 4.03Å; F467-F485 HydrophobicContact CE1-CZ 4.24Å; F467-F485 HydrophobicContact CG-CZ 4.42Å; F467-V488 HydrophobicContact CE2-CG1 4.28Å; F467-V488 HydrophobicContact CZ-CB 4.37Å; F467-V488 HydrophobicContact CZ-CG1 3.72Å; F467-H489 HydrophobicContact CE1-CB 4.26Å; F467-H489 HydrophobicContact CZ-CB 4.48Å; F467-I508 HydrophobicContact CD1-CG2 4.04Å; F467-I508 HydrophobicContact CD2-CG1 4.31Å; F467-I508 HydrophobicContact CD2-CG2 3.59Å; F467-I508 HydrophobicContact CE1-CG2 3.81Å; F467-I508 HydrophobicContact CE2-CG2 3.37Å; F467-I508 HydrophobicContact CG-CG2 3.93Å; F467-I508 HydrophobicContact CZ-CG2 3.47Å; F467-I508 VanDerWaalsContact CZ-CG2 3.47Å; F467-L509 HydrophobicContact CD1-CD2 3.6Å; F467-L509 HydrophobicContact CD1-CG 4.34Å; F467-L509 HydrophobicContact CE1-CD2 4.15Å; F467-L509 HydrophobicContact CE1-CG 4.46Å; F467-L509 HydrophobicContact CG-CD2 4.43Å; F467-L512 HydrophobicContact CB-CD1 4.07Å
468F96.7Very high94.6Very high4 Ų428.3 Ų28.32%0.01816%0.157CC..Hα-helixtrans-64.9-50.7176.9-54.9-29.3000110.4G465 A470 L471 M472 L512 I556 H559 V560 Y575 Y577 M580G465-F468 WeakPolarHBondContact O-CB 3.25Å; G465-F468 PolarHBondContact O-N 2.66Å; F468-A470 PolarHBondContact O-N 3.14Å; F468-L471 PolarHBondContact O-N 3.14Å; F468-M472 WeakPolarHBondContact O-CG 3.24Å; F468-M472 PolarHBondContact O-N 3.06Å; F468-M472 VanDerWaalsContact O-N 3.16Å; F468-L512 HydrophobicContact CD1-CD1 3.8Å; F468-L512 HydrophobicContact CD1-CD2 4.11Å; F468-L512 HydrophobicContact CE1-CD1 3.9Å; F468-L512 HydrophobicContact CE1-CD2 3.94Å; F468-L512 HydrophobicContact CE1-CG 4.39Å; F468-I556 HydrophobicContact CB-CG2 3.69Å; F468-I556 HydrophobicContact CD1-CG2 4.46Å; F468-I556 HydrophobicContact CG-CG2 4.36Å; F468-I556 WeakPolarHBondContact O-CG2 3.33Å; F468-H559 AromaticContact CE2-NE2 3.91Å; F468-V560 HydrophobicContact CB-CG1 3.98Å; F468-V560 HydrophobicContact CD2-CG1 4.07Å; F468-V560 HydrophobicContact CG-CG1 4.33Å; F468-Y575 HydrophobicContact CD2-CE1 4.19Å; F468-Y575 HydrophobicContact CE2-CE1 4.4Å; F468-Y575 WeakPolarHBondContact CE2-OH 3.48Å; F468-Y577 HydrophobicContact CE2-CD2 4.15Å; F468-Y577 AromaticContact CE2-CE2 3.77Å; F468-Y577 HydrophobicContact CE2-CE2 3.77Å; F468-Y577 AromaticContact CZ-CE2 3.86Å; F468-Y577 HydrophobicContact CZ-CE2 3.86Å; F468-M580 HydrophobicContact CE1-CB 4.17Å; F468-M580 HydrophobicContact CZ-CB 4.1Å
469F97.3Very high94.8Very high0 Ų031.1 Ų31.10%017%0.172CC..Hα-helixtrans-68.1-41.2-174.4-53.1-20.4000112.2V430 Q431 F433 L434 T464 G465 V560 F563 Y575V430-F469 HydrophobicContact CG1-CD2 3.83Å; V430-F469 HydrophobicContact CG1-CE2 4.18Å; Q431-F469 HydrophobicContact CG-CE2 3.95Å; F433-F469 HydrophobicContact CB-CB 3.68Å; L434-F469 HydrophobicContact CD1-CD1 3.82Å; L434-F469 HydrophobicContact CD1-CD2 4.14Å; L434-F469 HydrophobicContact CD1-CE1 3.85Å; L434-F469 HydrophobicContact CD1-CE2 4.17Å; L434-F469 HydrophobicContact CD1-CG 3.99Å; L434-F469 HydrophobicContact CD1-CZ 4.01Å; L434-F469 HydrophobicContact CD2-CB 3.95Å; L434-F469 HydrophobicContact CD2-CD1 3.67Å; L434-F469 HydrophobicContact CD2-CE1 4.4Å; L434-F469 HydrophobicContact CD2-CG 3.89Å; L434-F469 HydrophobicContact CG-CB 3.99Å; L434-F469 HydrophobicContact CG-CD1 3.88Å; L434-F469 HydrophobicContact CG-CD2 4.18Å; L434-F469 HydrophobicContact CG-CE1 4.41Å; L434-F469 HydrophobicContact CG-CG 3.75Å; T464-F469 VanDerWaalsContact O-CE2 3.27Å; T464-F469 WeakPolarHBondContact O-CE2 3.43Å; G465-F469 WeakPolarHBondContact O-CG 3.5Å; G465-F469 PolarHBondContact O-N 3.04Å; F469-V560 HydrophobicContact CE1-CB 4.44Å; F469-V560 HydrophobicContact CE1-CG1 4.21Å; F469-F563 HydrophobicContact CE1-CD1 4.34Å; F469-F563 HydrophobicContact CE2-CE1 4.49Å; F469-F563 HydrophobicContact CZ-CD1 4.06Å; F469-F563 AromaticContact CZ-CE1 3.92Å; F469-F563 HydrophobicContact CZ-CE1 3.92Å; F469-Y575 HydrophobicContact CE1-CD1 4.45Å; F469-Y575 HydrophobicContact CE1-CD2 4.35Å; F469-Y575 HydrophobicContact CE1-CG 4.31Å; F469-Y575 HydrophobicContact CE2-CG 4.45Å; F469-Y575 AromaticContact CZ-CD1 3.74Å; F469-Y575 HydrophobicContact CZ-CD1 3.74Å; F469-Y575 AromaticContact CZ-CD2 3.95Å; F469-Y575 HydrophobicContact CZ-CD2 3.95Å; F469-Y575 HydrophobicContact CZ-CE1 4.32Å; F469-Y575 AromaticContact CZ-CG 3.54Å; F469-Y575 HydrophobicContact CZ-CG 3.54Å
470A97.3Very high95.2Very high3 Ų331.9 Ų31.93%0.02517%0.171CC..Hα-helixtrans-71.6-36.6179.500000112.5F433 I466 F468 M472 Y473 I481 F485F433-A470 HydrophobicContact CD1-CB 4.21Å; F433-A470 HydrophobicContact CD2-CB 4.24Å; F433-A470 HydrophobicContact CE1-CB 4.27Å; F433-A470 HydrophobicContact CE2-CB 4.28Å; F433-A470 HydrophobicContact CG-CB 4.22Å; F433-A470 HydrophobicContact CZ-CB 4.3Å; I466-A470 WeakPolarHBondContact O-CB 3.48Å; I466-A470 PolarHBondContact O-N 2.99Å; F468-A470 PolarHBondContact O-N 3.14Å; A470-M472 VanDerWaalsContact C-N 3.33Å; A470-M472 PolarHBondContact O-N 3.06Å; A470-Y473 WeakPolarHBondContact O-CB 3.34Å; A470-Y473 PolarHBondContact O-N 3.08Å; A470-I481 HydrophobicContact CB-CD1 4.49Å; A470-I481 HydrophobicContact CB-CG1 4.48Å; A470-I481 HydrophobicContact CB-CG2 3.82Å; A470-F485 HydrophobicContact CB-CE1 3.96Å; A470-F485 HydrophobicContact CB-CZ 3.81Å
471L97.1Very high95.4Very high2 Ų224.7 Ų24.71%0.0114%0.144CC..Hα-helixtrans-74.1-21.1178.4-74.9171.9000114F467 F468 Y473 F482 F485 L509 L512 F533 M552 I556F467-L471 VanDerWaalsContact O-CB 3.23Å; F467-L471 WeakPolarHBondContact O-CB 3.43Å; F467-L471 WeakPolarHBondContact O-CD1 3.31Å; F467-L471 VanDerWaalsContact O-CG 3.27Å; F467-L471 WeakPolarHBondContact O-CG 3.16Å; F467-L471 PolarHBondContact O-N 2.96Å; F467-L471 VanDerWaalsContact O-N 3.09Å; F468-L471 PolarHBondContact O-N 3.14Å; L471-Y473 PolarHBondContact O-N 3.31Å; L471-F482 HydrophobicContact CD2-CE1 4.39Å; L471-F482 HydrophobicContact CD2-CZ 4.49Å; L471-F485 HydrophobicContact CD1-CE2 4.3Å; L471-F485 HydrophobicContact CD2-CE2 3.87Å; L471-F485 HydrophobicContact CG-CE2 3.84Å; L471-F485 HydrophobicContact CG-CZ 4.12Å; L471-L509 HydrophobicContact CD1-CD2 4.01Å; L471-L512 HydrophobicContact CD1-CB 4.06Å; L471-L512 HydrophobicContact CD1-CD1 3.67Å; L471-F533 HydrophobicContact CD2-CE2 4Å; L471-F533 HydrophobicContact CD2-CZ 3.93Å; L471-M552 HydrophobicContact CB-CE 4.14Å; L471-M552 HydrophobicContact CD1-SD 4.41Å; L471-M552 HydrophobicContact CD2-CE 4.2Å; L471-M552 HydrophobicContact CD2-SD 4.41Å; L471-I556 HydrophobicContact CB-CD1 3.81Å; L471-I556 HydrophobicContact CD1-CD1 4.32Å
472M95.3Very high95.6Very high3 Ų324.7 Ų24.72%0.01514%0.144CC..THydrogen-bonded Turntrans-68.9-13.9169.7-76.3175.866.300113.2F302 L434 F436 F468 A470 S474 I556 A557 V560F302-M472 HydrophobicContact CE1-CE 4.2Å; L434-M472 HydrophobicContact CD2-SD 4.43Å; F436-M472 HydrophobicContact CE1-CB 3.76Å; F436-M472 HydrophobicContact CE1-CE 4.49Å; F436-M472 HydrophobicContact CZ-CB 4.2Å; F436-M472 HydrophobicContact CZ-CE 3.81Å; F468-M472 WeakPolarHBondContact O-CG 3.24Å; F468-M472 PolarHBondContact O-N 3.06Å; F468-M472 VanDerWaalsContact O-N 3.16Å; A470-M472 VanDerWaalsContact C-N 3.33Å; A470-M472 PolarHBondContact O-N 3.06Å; M472-S474 PolarHBondContact O-N 2.65Å; M472-I556 HydrophobicContact CG-CB 4Å; M472-I556 HydrophobicContact CG-CG2 3.58Å; M472-I556 HydrophobicContact SD-CG2 3.85Å; M472-A557 HydrophobicContact CE-CB 3.68Å; M472-A557 HydrophobicContact SD-CB 4.42Å; M472-V560 HydrophobicContact CE-CG2 4.17Å; M472-V560 HydrophobicContact SD-CG2 3.41Å; M472-V560 WeakPolarHBondContact SD-CG2 3.46Å
473Y95.2Very high95.8Very high6 Ų627.3 Ų27.32%0.02416%0.158CC..  trans-68117.9-179.4-175.9-118.7000111.9F436 P438 V441 A470 L471 G475 N477 I478 I481 R549F436-Y473 HydrophobicContact CB-CD2 4.43Å; F436-Y473 HydrophobicContact CD1-CD2 4.31Å; F436-Y473 WeakPolarHBondContact O-CE2 3.35Å; P438-Y473 VanDerWaalsContact CA-OH 3.25Å; P438-Y473 WeakPolarHBondContact CA-OH 3.44Å; P438-Y473 WeakPolarHBondContact CB-OH 3.42Å; P438-Y473 WeakPolarHBondContact CG-OH 3.34Å; V441-Y473 HydrophobicContact CB-CE2 4.42Å; V441-Y473 HydrophobicContact CG1-CD1 3.87Å; V441-Y473 HydrophobicContact CG1-CD2 4.31Å; V441-Y473 HydrophobicContact CG1-CE1 3.98Å; V441-Y473 HydrophobicContact CG1-CE2 4.43Å; V441-Y473 HydrophobicContact CG1-CG 4.04Å; V441-Y473 HydrophobicContact CG2-CD2 3.91Å; V441-Y473 HydrophobicContact CG2-CE2 3.99Å; V441-Y473 HydrophobicContact CG2-CG 4.39Å; A470-Y473 WeakPolarHBondContact O-CB 3.34Å; A470-Y473 PolarHBondContact O-N 3.08Å; L471-Y473 PolarHBondContact O-N 3.31Å; Y473-G475 VanDerWaalsContact CZ-CA 3.47Å; Y473-N477 PolarHBondContact OH-ND2 3.13Å; Y473-N477 PolarHBondContact OH-OD1 2.72Å; Y473-I478 HydrophobicContact CD1-CG2 4.26Å; Y473-I481 HydrophobicContact CD1-CD1 3.81Å; Y473-I481 HydrophobicContact CG-CD1 4.36Å; Y473-R549 PolarHBondContact O-NH2 3.36Å; Y473-R549 VanDerWaalsContact O-NH2 3.08Å
474S91.3Very high95.9Very high71 Ų7124.1 Ų24.150%0.49714%0.141SC..  trans-88.6-10.8-177.658.40000114.3M472 R549M472-S474 PolarHBondContact O-N 2.65Å; S474-R549 PolarHBondContact O-NH2 3.2Å
475G91Very high95.9Very high18 Ų1823.3 Ų23.319%0.18614%0.136CC..SBendtrans-68172.9179.600000113.8Y473 I478 R549Y473-G475 VanDerWaalsContact CZ-CA 3.47Å; G475-I478 WeakPolarHBondContact O-CG2 3.35Å; G475-R549 PolarHBondContact O-NH2 3.45Å; G475-R549 VanDerWaalsContact O-NH2 3.13Å
476S92.3Very high95.9Very high94 Ų9426.1 Ų26.166%0.65715%0.148SC*.SBendtrans-95.8-16.9-176.754.20000114.1I478S476-I478 WeakPolarHBondContact O-CG1 3.45Å; S476-I478 PolarHBondContact O-N 3.03Å
477N94.5Very high95.6Very high44 Ų4428 Ų2824%0.23516%0.161CC..  trans-81.568.3174.656.4-71.3000111.3P438 Y473P438-N477 PolarHBondContact O-ND2 3.04Å; Y473-N477 PolarHBondContact OH-ND2 3.13Å; Y473-N477 PolarHBondContact OH-OD1 2.72Å
478I95.7Very high95.5Very high4 Ų427.9 Ų27.92%0.02116%0.161CC..  trans-97.4-7.8-177.153161.7000113.3Y473 G475 S476 E480 I481 F482 S530 F533 L534Y473-I478 HydrophobicContact CD1-CG2 4.26Å; G475-I478 WeakPolarHBondContact O-CG2 3.35Å; S476-I478 WeakPolarHBondContact O-CG1 3.45Å; S476-I478 PolarHBondContact O-N 3.03Å; I478-E480 VanDerWaalsContact C-N 3.33Å; I478-E480 PolarHBondContact O-N 3.11Å; I478-I481 WeakPolarHBondContact O-CB 3.46Å; I478-I481 PolarHBondContact O-N 3.03Å; I478-I481 VanDerWaalsContact O-N 3.09Å; I478-F482 HydrophobicContact CB-CD2 3.94Å; I478-F482 HydrophobicContact CB-CE2 3.85Å; I478-F482 HydrophobicContact CD1-CD2 3.78Å; I478-F482 HydrophobicContact CD1-CE2 3.49Å; I478-F482 VanDerWaalsContact CD1-CE2 3.49Å; I478-F482 HydrophobicContact CG1-CD2 4.12Å; I478-F482 HydrophobicContact CG1-CE2 4.12Å; I478-F482 WeakPolarHBondContact O-CD2 3.41Å; I478-F482 PolarHBondContact O-N 2.96Å; I478-S530 WeakPolarHBondContact CD1-O 3.45Å; I478-F533 HydrophobicContact CD1-CB 4.25Å; I478-F533 HydrophobicContact CD1-CD1 3.95Å; I478-L534 HydrophobicContact CD1-CD1 3.7Å; I478-L534 HydrophobicContact CD1-CD2 3.78Å; I478-L534 HydrophobicContact CD1-CG 3.46Å; I478-L534 VanDerWaalsContact CD1-CG 3.46Å; I478-L534 HydrophobicContact CG1-CD1 4Å; I478-L534 HydrophobicContact CG1-CD2 4.3Å; I478-L534 HydrophobicContact CG1-CG 4.21Å; I478-L534 HydrophobicContact CG2-CD2 4.25Å
479L97Very high95.2Very high72 Ų7227.7 Ų27.738%0.37716%0.16SC..Hα-helixtrans-59.5-45.7-170.9-171.872.7000111I481 F482 E483 V526 E527L479-I481 VanDerWaalsContact C-N 3.31Å; L479-I481 PolarHBondContact O-N 2.61Å; L479-F482 PolarHBondContact O-N 3.1Å; L479-E483 PolarHBondContact O-N 2.98Å; L479-V526 HydrophobicContact CD1-CG1 3.89Å; L479-E527 HydrophobicContact CD1-CG 4.14Å
480E97.8Very high94.8Very high63 Ų6330.5 Ų30.529%0.29417%0.174SC..Hα-helixtrans-66.4-33.1179.1-61.481.6176.300112.3A442 A445 V446 I478 L484A442-E480 HydrophobicContact CB-CG 4.39Å; A445-E480 HydrophobicContact CB-CB 3.86Å; A445-E480 WeakPolarHBondContact CB-O 3.41Å; V446-E480 HydrophobicContact CG2-CB 4.2Å; V446-E480 HydrophobicContact CG2-CG 3.82Å; I478-E480 VanDerWaalsContact C-N 3.33Å; I478-E480 PolarHBondContact O-N 3.11Å; E480-L484 WeakPolarHBondContact O-CB 3.27Å; E480-L484 PolarHBondContact O-N 3.17Å; E480-L484 VanDerWaalsContact O-N 3.14Å
481I98Very high94.3Very high4 Ų436.2 Ų36.22%0.02120%0.198CC..Hα-helixtrans-64.2-45.4173.2-68.5165000109.7F433 V441 A445 A470 Y473 I478 L479 L484 F485F433-I481 HydrophobicContact CE1-CD1 4.49Å; F433-I481 HydrophobicContact CE1-CG1 3.99Å; V441-I481 HydrophobicContact CG1-CD1 3.55Å; V441-I481 HydrophobicContact CG1-CG1 4.09Å; A445-I481 HydrophobicContact CB-CG1 4.27Å; A470-I481 HydrophobicContact CB-CD1 4.49Å; A470-I481 HydrophobicContact CB-CG1 4.48Å; A470-I481 HydrophobicContact CB-CG2 3.82Å; Y473-I481 HydrophobicContact CD1-CD1 3.81Å; Y473-I481 HydrophobicContact CG-CD1 4.36Å; I478-I481 WeakPolarHBondContact O-CB 3.46Å; I478-I481 PolarHBondContact O-N 3.03Å; I478-I481 VanDerWaalsContact O-N 3.09Å; L479-I481 VanDerWaalsContact C-N 3.31Å; L479-I481 PolarHBondContact O-N 2.61Å; I481-L484 WeakPolarHBondContact O-CB 3.41Å; I481-L484 PolarHBondContact O-N 3.26Å; I481-F485 HydrophobicContact CG2-CD1 4.15Å; I481-F485 HydrophobicContact CG2-CE1 3.85Å; I481-F485 HydrophobicContact CG2-CE2 4.22Å; I481-F485 HydrophobicContact CG2-CG 4.48Å; I481-F485 HydrophobicContact CG2-CZ 3.89Å; I481-F485 WeakPolarHBondContact O-CD1 3.47Å; I481-F485 PolarHBondContact O-N 3.38Å
482F97.9Very high93.6Very high2 Ų237 Ų371%0.00920%0.202CC..Hα-helixtrans-75.8-28.8-177.3-71-52.1000113.1L471 I478 L479 L484 F485 K486 F521 V526 F529 F533L471-F482 HydrophobicContact CD2-CE1 4.39Å; L471-F482 HydrophobicContact CD2-CZ 4.49Å; I478-F482 HydrophobicContact CB-CD2 3.94Å; I478-F482 HydrophobicContact CB-CE2 3.85Å; I478-F482 HydrophobicContact CD1-CD2 3.78Å; I478-F482 HydrophobicContact CD1-CE2 3.49Å; I478-F482 VanDerWaalsContact CD1-CE2 3.49Å; I478-F482 HydrophobicContact CG1-CD2 4.12Å; I478-F482 HydrophobicContact CG1-CE2 4.12Å; I478-F482 WeakPolarHBondContact O-CD2 3.41Å; I478-F482 PolarHBondContact O-N 2.96Å; L479-F482 PolarHBondContact O-N 3.1Å; F482-L484 VanDerWaalsContact C-N 3.32Å; F482-F485 HydrophobicContact CD1-CB 4.36Å; F482-F485 AromaticContact CD1-CD2 3.77Å; F482-F485 HydrophobicContact CD1-CD2 3.77Å; F482-F485 HydrophobicContact CD1-CE2 4.45Å; F482-F485 HydrophobicContact CD1-CG 4.31Å; F482-F485 AromaticContact CE1-CD2 3.83Å; F482-F485 HydrophobicContact CE1-CD2 3.83Å; F482-F485 HydrophobicContact CE1-CE2 4.13Å; F482-F485 PolarHBondContact O-N 3.17Å; F482-K486 WeakPolarHBondContact O-CB 3.42Å; F482-K486 PolarHBondContact O-N 3.41Å; F482-F521 HydrophobicContact CB-CE2 4.21Å; F482-F521 HydrophobicContact CB-CZ 4.48Å; F482-F521 WeakPolarHBondContact O-CZ 3.23Å; F482-V526 HydrophobicContact CB-CG1 3.57Å; F482-F529 AromaticContact CD1-CD1 3.97Å; F482-F529 HydrophobicContact CD1-CD1 3.97Å; F482-F529 AromaticContact CD1-CE1 3.87Å; F482-F529 HydrophobicContact CD1-CE1 3.87Å; F482-F529 HydrophobicContact CD2-CD1 4.22Å; F482-F529 HydrophobicContact CE1-CD1 4.06Å; F482-F529 AromaticContact CE1-CE1 3.53Å; F482-F529 HydrophobicContact CE1-CE1 3.53Å; F482-F529 HydrophobicContact CE2-CD1 4.26Å; F482-F529 HydrophobicContact CE2-CE1 4.19Å; F482-F529 HydrophobicContact CG-CD1 4.08Å; F482-F529 HydrophobicContact CG-CE1 4.39Å; F482-F529 HydrophobicContact CZ-CD1 4.2Å; F482-F529 AromaticContact CZ-CE1 3.7Å; F482-F529 HydrophobicContact CZ-CE1 3.7Å; F482-F533 HydrophobicContact CE2-CB 3.94Å; F482-F533 AromaticContact CE2-CD1 3.68Å; F482-F533 HydrophobicContact CE2-CD1 3.68Å; F482-F533 HydrophobicContact CE2-CD2 4.31Å; F482-F533 HydrophobicContact CE2-CE1 4.19Å; F482-F533 AromaticContact CE2-CG 3.72Å; F482-F533 HydrophobicContact CE2-CG 3.72Å; F482-F533 HydrophobicContact CZ-CB 4.18Å; F482-F533 AromaticContact CZ-CD1 3.76Å; F482-F533 HydrophobicContact CZ-CD1 3.76Å; F482-F533 AromaticContact CZ-CD2 3.73Å; F482-F533 HydrophobicContact CZ-CD2 3.73Å; F482-F533 AromaticContact CZ-CE1 3.95Å; F482-F533 HydrophobicContact CZ-CE1 3.95Å; F482-F533 AromaticContact CZ-CE2 3.96Å; F482-F533 HydrophobicContact CZ-CE2 3.96Å; F482-F533 AromaticContact CZ-CG 3.61Å; F482-F533 HydrophobicContact CZ-CG 3.61Å; F482-F533 HydrophobicContact CZ-CZ 4.04Å
483E97.6Very high92.5Very high91 Ų9140 Ų4043%0.42523%0.226SC..Hα-helixtrans-58.9-44.8165.8-80.4-58.515600111.8L479 K486 S487 V526L479-E483 PolarHBondContact O-N 2.98Å; E483-K486 PolarHBondContact O-N 2.98Å; E483-S487 PolarHBondContact O-N 3.44Å; E483-S487 PolarHBondContact O-OG 2.96Å; E483-V526 HydrophobicContact CG-CG1 4.05Å
484L97.2Very high91.2Very high1 Ų144.3 Ų44.31%0.00525%0.245CC..Hα-helixtrans-61.2-46.8173.817459000111.2F433 A445 L448 S449 I452 I466 E480 I481 F482 K486 S487 V488F433-L484 HydrophobicContact CZ-CD2 4.22Å; A445-L484 HydrophobicContact CB-CD2 4.32Å; L448-L484 HydrophobicContact CB-CD1 4.14Å; L448-L484 HydrophobicContact CB-CD2 3.9Å; L448-L484 HydrophobicContact CD1-CD2 4.24Å; S449-L484 WeakPolarHBondContact OG-CA 3.47Å; S449-L484 WeakPolarHBondContact OG-CB 3.31Å; I452-L484 HydrophobicContact CD1-CD1 4.29Å; I452-L484 HydrophobicContact CG1-CD1 3.9Å; I466-L484 HydrophobicContact CD1-CD2 3.88Å; E480-L484 WeakPolarHBondContact O-CB 3.27Å; E480-L484 PolarHBondContact O-N 3.17Å; E480-L484 VanDerWaalsContact O-N 3.14Å; I481-L484 WeakPolarHBondContact O-CB 3.41Å; I481-L484 PolarHBondContact O-N 3.26Å; F482-L484 VanDerWaalsContact C-N 3.32Å; L484-K486 PolarHBondContact O-N 3.26Å; L484-S487 WeakPolarHBondContact O-CB 3.44Å; L484-S487 PolarHBondContact O-N 3.2Å; L484-V488 HydrophobicContact CD1-CG2 4Å; L484-V488 VanDerWaalsContact O-CG2 3.25Å; L484-V488 WeakPolarHBondContact O-CG2 3.29Å; L484-V488 PolarHBondContact O-N 3.31Å
485F96.3Very high89.3Confident1 Ų146.1 Ų46.10%0.00426%0.257CS..Hα-helixtrans-62.6-43.2-179.7-7814000111.6F467 A470 L471 I481 F482 S487 V488 H489 L509 F521F467-F485 HydrophobicContact CB-CZ 4.48Å; F467-F485 HydrophobicContact CD1-CD1 4Å; F467-F485 HydrophobicContact CD1-CD2 4.21Å; F467-F485 AromaticContact CD1-CE1 3.65Å; F467-F485 HydrophobicContact CD1-CE1 3.65Å; F467-F485 AromaticContact CD1-CE2 3.88Å; F467-F485 HydrophobicContact CD1-CE2 3.88Å; F467-F485 HydrophobicContact CD1-CG 4.28Å; F467-F485 AromaticContact CD1-CZ 3.58Å; F467-F485 HydrophobicContact CD1-CZ 3.58Å; F467-F485 AromaticContact CE1-CD1 3.82Å; F467-F485 HydrophobicContact CE1-CD1 3.82Å; F467-F485 HydrophobicContact CE1-CD2 4.34Å; F467-F485 AromaticContact CE1-CE1 3.93Å; F467-F485 HydrophobicContact CE1-CE1 3.93Å; F467-F485 HydrophobicContact CE1-CE2 4.44Å; F467-F485 HydrophobicContact CE1-CG 4.03Å; F467-F485 HydrophobicContact CE1-CZ 4.24Å; F467-F485 HydrophobicContact CG-CZ 4.42Å; A470-F485 HydrophobicContact CB-CE1 3.96Å; A470-F485 HydrophobicContact CB-CZ 3.81Å; L471-F485 HydrophobicContact CD1-CE2 4.3Å; L471-F485 HydrophobicContact CD2-CE2 3.87Å; L471-F485 HydrophobicContact CG-CE2 3.84Å; L471-F485 HydrophobicContact CG-CZ 4.12Å; I481-F485 HydrophobicContact CG2-CD1 4.15Å; I481-F485 HydrophobicContact CG2-CE1 3.85Å; I481-F485 HydrophobicContact CG2-CE2 4.22Å; I481-F485 HydrophobicContact CG2-CG 4.48Å; I481-F485 HydrophobicContact CG2-CZ 3.89Å; I481-F485 WeakPolarHBondContact O-CD1 3.47Å; I481-F485 PolarHBondContact O-N 3.38Å; F482-F485 HydrophobicContact CD1-CB 4.36Å; F482-F485 AromaticContact CD1-CD2 3.77Å; F482-F485 HydrophobicContact CD1-CD2 3.77Å; F482-F485 HydrophobicContact CD1-CE2 4.45Å; F482-F485 HydrophobicContact CD1-CG 4.31Å; F482-F485 AromaticContact CE1-CD2 3.83Å; F482-F485 HydrophobicContact CE1-CD2 3.83Å; F482-F485 HydrophobicContact CE1-CE2 4.13Å; F482-F485 PolarHBondContact O-N 3.17Å; F485-S487 PolarHBondContact O-N 2.88Å; F485-V488 PolarHBondContact O-N 3Å; F485-H489 WeakPolarHBondContact O-CB 3.3Å; F485-H489 PolarHBondContact O-CD2 2.86Å; F485-H489 PolarHBondContact O-N 3.3Å; F485-L509 HydrophobicContact CD2-CD1 4.14Å; F485-L509 HydrophobicContact CD2-CD2 3.98Å; F485-L509 HydrophobicContact CE2-CD2 3.84Å; F485-F521 HydrophobicContact CB-CE1 4.14Å; F485-F521 HydrophobicContact CB-CZ 4.01Å
486K94.9Very high87.4Confident61 Ų6148.8 Ų48.827%0.26527%0.273SS..Hα-helixtrans-57.2-36178.5-174.963178.4-179.80111.3F482 E483 L484 V488 F521 E522 V526F482-K486 WeakPolarHBondContact O-CB 3.42Å; F482-K486 PolarHBondContact O-N 3.41Å; E483-K486 PolarHBondContact O-N 2.98Å; L484-K486 PolarHBondContact O-N 3.26Å; K486-V488 VanDerWaalsContact C-N 3.33Å; K486-V488 PolarHBondContact O-N 3.2Å; K486-F521 HydrophobicContact CB-CE1 4.44Å; K486-F521 HydrophobicContact CB-CE2 4.35Å; K486-F521 HydrophobicContact CB-CZ 3.75Å; K486-F521 HydrophobicContact CD-CE1 4.47Å; K486-F521 HydrophobicContact CD-CE2 4.5Å; K486-F521 HydrophobicContact CD-CZ 4.22Å; K486-E522 PolarHBondContact NZ-O 3.01Å; K486-E522 IonicContact NZ-OE1 3.67Å; K486-E522 PolarHBondContact NZ-OE1 2.94Å; K486-E522 IonicContact NZ-OE2 2.77Å; K486-E522 PolarHBondContact NZ-OE2 3.18Å; K486-V526 HydrophobicContact CB-CG2 3.8Å; K486-V526 HydrophobicContact CG-CG2 4.08Å
487S92Very high84.9Confident39 Ų3950.5 Ų50.527%0.27328%0.279SS..Hα-helixtrans-73.1-21.6179.1-64.30000114.3E483 L484 F485 K491E483-S487 PolarHBondContact O-N 3.44Å; E483-S487 PolarHBondContact O-OG 2.96Å; L484-S487 WeakPolarHBondContact O-CB 3.44Å; L484-S487 PolarHBondContact O-N 3.2Å; F485-S487 PolarHBondContact O-N 2.88Å; S487-K491 WeakPolarHBondContact O-CD 3.34Å; S487-K491 PolarHBondContact O-NZ 3.31Å; S487-K491 VanDerWaalsContact O-NZ 3.13Å
488V92.3Very high82.5Confident2 Ų255.4 Ų55.41%0.01230%0.3CS..Hα-helixtrans-118.4-42.6-164.3178.20000113.7I452 L461 F467 L484 F485 K486 M490 K491 Q492I452-V488 HydrophobicContact CD1-CG2 3.34Å; I452-V488 HydrophobicContact CG1-CG2 3.97Å; L461-V488 HydrophobicContact CD2-CG1 3.87Å; L461-V488 HydrophobicContact CD2-CG2 3.99Å; F467-V488 HydrophobicContact CE2-CG1 4.28Å; F467-V488 HydrophobicContact CZ-CB 4.37Å; F467-V488 HydrophobicContact CZ-CG1 3.72Å; L484-V488 HydrophobicContact CD1-CG2 4Å; L484-V488 VanDerWaalsContact O-CG2 3.25Å; L484-V488 WeakPolarHBondContact O-CG2 3.29Å; L484-V488 PolarHBondContact O-N 3.31Å; F485-V488 PolarHBondContact O-N 3Å; K486-V488 VanDerWaalsContact C-N 3.33Å; K486-V488 PolarHBondContact O-N 3.2Å; V488-M490 VanDerWaalsContact C-N 3.3Å; V488-M490 PolarHBondContact O-N 2.69Å; V488-M490 VanDerWaalsContact O-N 3.14Å; V488-K491 PolarHBondContact O-N 2.84Å; V488-Q492 PolarHBondContact O-NE2 2.88Å
489H91.1Very high80.1Confident0 Ų061.9 Ų61.90%033%0.334CS..THydrogen-bonded Turntrans-63.9-29-158.780.4115.1000114.7F467 F485 S507 L509 F521 E522F467-H489 HydrophobicContact CE1-CB 4.26Å; F467-H489 HydrophobicContact CZ-CB 4.48Å; F485-H489 WeakPolarHBondContact O-CB 3.3Å; F485-H489 PolarHBondContact O-CD2 2.86Å; F485-H489 PolarHBondContact O-N 3.3Å; H489-S507 PolarHBondContact ND1-OG 2.94Å; H489-L509 HydrophobicContact CB-CD1 3.96Å; H489-L509 HydrophobicContact CB-CG 4.27Å; H489-F521 AromaticContact CD2-CE1 3.74Å; H489-F521 AromaticContact CE1-CD1 3.7Å; H489-F521 AromaticContact CE1-CE1 3.94Å; H489-F521 AromaticContact NE2-CD1 3.67Å; H489-F521 AromaticContact NE2-CE1 3.55Å; H489-E522 IonicContact NE2-OE2 3.86Å
490M88.5Confident77.9Confident59 Ų5967.3 Ų67.329%0.29135%0.349SS..THydrogen-bonded Turntrans-89.9-2.5176.9-64.8-54.7-165.100114.9V488 L503 I518 E522V488-M490 VanDerWaalsContact C-N 3.3Å; V488-M490 PolarHBondContact O-N 2.69Å; V488-M490 VanDerWaalsContact O-N 3.14Å; M490-L503 HydrophobicContact CE-CD2 3.35Å; M490-L503 HydrophobicContact CE-CG 3.94Å; M490-I518 HydrophobicContact CE-CG2 4.13Å; M490-E522 HydrophobicContact CE-CB 4.37Å; M490-E522 HydrophobicContact CE-CG 4.22Å
491K86.9Confident76.1Confident124 Ų12471.9 Ų71.954%0.53937%0.37SS..SBendtrans-113.420.3-172.9-64.5177.3-169.1158.90112.3L458 P459 S487 V488L458-K491 HydrophobicContact CD1-CD 4.21Å; L458-K491 HydrophobicContact CD2-CB 3.31Å; L458-K491 HydrophobicContact CD2-CD 4.07Å; L458-K491 HydrophobicContact CD2-CG 4.36Å; P459-K491 WeakPolarHBondContact CA-O 3.38Å; S487-K491 WeakPolarHBondContact O-CD 3.34Å; S487-K491 PolarHBondContact O-NZ 3.31Å; S487-K491 VanDerWaalsContact O-NZ 3.13Å; V488-K491 PolarHBondContact O-N 2.84Å
492Q83.2Confident74.7Confident19 Ų1974 Ų749%0.08938%0.383CS..  trans-82.9144.1-179.2-57.8-53.8-77.100110.7L458 Y462 V488 F494 I508L458-Q492 PolarHBondContact O-NE2 2.95Å; L458-Q492 PolarHBondContact O-OE1 3.18Å; Y462-Q492 HydrophobicContact CD1-CB 4.35Å; Y462-Q492 VanDerWaalsContact CD1-OE1 3.29Å; V488-Q492 PolarHBondContact O-NE2 2.88Å; Q492-F494 HydrophobicContact CB-CB 4.48Å; Q492-F494 PolarHBondContact O-N 3.17Å; Q492-I508 HydrophobicContact CG-CB 4.47Å; Q492-I508 HydrophobicContact CG-CG2 4.21Å
493A72.7Confident73.7Confident64 Ų6476.7 Ų76.753%0.52940%0.398SS..  trans-81.752.6172.600000110.5P459P459-A493 HydrophobicContact CB-CB 3.74Å; P459-A493 PolarHBondContact O-N 3.41Å
494F66.6Low72.5Confident97 Ų9772.4 Ų72.443%0.42538%0.378SS..  trans-90.6106177.4-177.3-98.2000108.8Q492 I508Q492-F494 HydrophobicContact CB-CB 4.48Å; Q492-F494 PolarHBondContact O-N 3.17Å; F494-I508 HydrophobicContact CD2-CD1 4.29Å
495C51.9Low71.4Confident109 Ų10974 Ų7474%0.73639%0.388SS*.  trans-102.899.8174.3-104.60000109.5V497C495-V497 HydrophobicContact CB-CG2 4.12Å
496S50.2Low70.6Confident74 Ų7480.4 Ų80.452%0.51741%0.412SS..  trans-84.4106.413953.90000106.2Q498S496-Q498 PolarHBondContact O-N 3.35Å
497V41.3Very low70.2Confident130 Ų13077.6 Ų77.679%0.78840%0.4SS*.  trans-64.711.1177.8174.70000112C495C495-V497 HydrophobicContact CB-CG2 4.12Å
498Q43.2Very low69.9Low147 Ų14776 Ų7669%0.68739%0.388SS*.SBendtrans-142.2120.8-167.5-69.8-175-8.200110.9S496S496-Q498 PolarHBondContact O-N 3.35Å
499I45.9Very low69.9Low140 Ų14076 Ų7672%0.71839%0.388SS*.SBendtrans86.1105.9146-54.8155.1000115.5
500R50.8Low69.8Low186 Ų18678.8 Ų78.870%0.70240%0.401SS*.  trans57.890.6167.7-55-165-144.3-1037115.4T502R500-T502 PolarHBondContact O-N 3.19Å
501E59.1Low69.9Low159 Ų15977 Ų7774%0.74340%0.395SS*.  trans-66.677.5170.3-63.8-176.4-169.900111.8R506E501-R506 IonicContact OE2-CZ 3.73Å; E501-R506 IonicContact OE2-NE 3.58Å; E501-R506 IonicContact OE2-NH2 2.64Å; E501-R506 PolarHBondContact OE2-NH2 2.71Å
502T69.6Low70.2Confident48 Ų4871.1 Ų71.129%0.29437%0.369SS..  trans-83.9151.7164.164.60000108.9R500 P504 T505R500-T502 PolarHBondContact O-N 3.19Å; T502-P504 VanDerWaalsContact C-CD 3.44Å; T502-P504 VanDerWaalsContact C-N 3.3Å; T502-T505 PolarHBondContact N-OG1 3.09Å; T502-T505 PolarHBondContact O-N 2.72Å; T502-T505 VanDerWaalsContact O-N 3.12Å; T502-T505 PolarHBondContact O-OG1 2.72Å; T502-T505 VanDerWaalsContact OG1-CG2 3.25Å; T502-T505 WeakPolarHBondContact OG1-CG2 3.39Å
503L76.4Confident70.7Confident60 Ų6070.4 Ų70.431%0.31437%0.366SS..THydrogen-bonded Turntrans-50.8-42.9-179.7179.6160.6000113M490 T505 R506 I518 Y519 E522M490-L503 HydrophobicContact CE-CD2 3.35Å; M490-L503 HydrophobicContact CE-CG 3.94Å; L503-T505 PolarHBondContact O-N 2.85Å; L503-R506 PolarHBondContact O-N 2.99Å; L503-I518 HydrophobicContact CD2-CG2 4.22Å; L503-Y519 HydrophobicContact CB-CE1 4Å; L503-Y519 HydrophobicContact CD1-CE1 4.43Å; L503-Y519 HydrophobicContact CD2-CD1 4.22Å; L503-Y519 HydrophobicContact CD2-CE1 4.29Å; L503-Y519 HydrophobicContact CG-CE1 4.5Å; L503-E522 HydrophobicContact CD1-CG 4.12Å; L503-E522 HydrophobicContact CD2-CB 4.2Å; L503-E522 HydrophobicContact CD2-CG 4.29Å
504P72.1Confident71.7Confident0 Ų068 Ų680%035%0.345CS..G310 helixtrans-63.1-40.3178.2-24.334.6000114T502 R506 S507 H510 E515 I518 Y519T502-P504 VanDerWaalsContact C-CD 3.44Å; T502-P504 VanDerWaalsContact C-N 3.3Å; P504-R506 PolarHBondContact O-N 3.47Å; P504-R506 VanDerWaalsContact O-N 3.07Å; P504-S507 WeakPolarHBondContact O-CB 3.44Å; P504-S507 PolarHBondContact O-N 3.48Å; P504-H510 WeakPolarHBondContact O-CB 3.45Å; P504-E515 HydrophobicContact CB-CB 4.35Å; P504-E515 HydrophobicContact CB-CG 4.18Å; P504-E515 HydrophobicContact CG-CB 4.25Å; P504-E515 HydrophobicContact CG-CG 4.46Å; P504-I518 HydrophobicContact CB-CB 4.32Å; P504-I518 HydrophobicContact CB-CD1 4.09Å; P504-I518 HydrophobicContact CB-CG2 4.28Å; P504-Y519 VanDerWaalsContact CD-CZ 3.45Å; P504-Y519 WeakPolarHBondContact CD-OH 3.25Å; P504-Y519 HydrophobicContact CG-CD2 3.62Å; P504-Y519 HydrophobicContact CG-CE1 4.36Å; P504-Y519 HydrophobicContact CG-CE2 3.19Å; P504-Y519 HydrophobicContact CG-CG 4.36Å
505T75.2Confident72.8Confident36 Ų3667.1 Ų67.122%0.22134%0.342CS..G310 helixtrans-63.7-17.8-175.659.30000113.9T502 L503 S507T502-T505 PolarHBondContact N-OG1 3.09Å; T502-T505 PolarHBondContact O-N 2.72Å; T502-T505 VanDerWaalsContact O-N 3.12Å; T502-T505 PolarHBondContact O-OG1 2.72Å; T502-T505 VanDerWaalsContact OG1-CG2 3.25Å; T502-T505 WeakPolarHBondContact OG1-CG2 3.39Å; L503-T505 PolarHBondContact O-N 2.85Å; T505-S507 VanDerWaalsContact C-N 3.31Å
506R79.4Confident74.8Confident135 Ų13562 Ų6251%0.50931%0.308SS..G310 helixtrans-78.7-16.3174.6-62.1-179.4176.6178.8-1.6113.2E501 L503 P504E501-R506 IonicContact OE2-CZ 3.73Å; E501-R506 IonicContact OE2-NE 3.58Å; E501-R506 IonicContact OE2-NH2 2.64Å; E501-R506 PolarHBondContact OE2-NH2 2.71Å; L503-R506 PolarHBondContact O-N 2.99Å; P504-R506 PolarHBondContact O-N 3.47Å; P504-R506 VanDerWaalsContact O-N 3.07Å
507S86.4Confident76.9Confident1 Ų158.7 Ų58.71%0.00729%0.285CS..SBendtrans-93.8130.3-177178.90000110.6H489 P504 T505 L509 H510H489-S507 PolarHBondContact ND1-OG 2.94Å; P504-S507 WeakPolarHBondContact O-CB 3.44Å; P504-S507 PolarHBondContact O-N 3.48Å; T505-S507 VanDerWaalsContact C-N 3.31Å; S507-L509 PolarHBondContact O-N 3.39Å; S507-L509 VanDerWaalsContact O-N 3.11Å; S507-L509 WeakPolarHBondContact OG-CB 3.34Å; S507-L509 PolarHBondContact OG-N 3.21Å; S507-H510 WeakPolarHBondContact O-CB 3.4Å; S507-H510 PolarHBondContact O-N 3.46Å
508I86.1Confident79.3Confident7 Ų752.6 Ų52.64%0.03625%0.247CC..G310 helixtrans-59.8-21.4170.5-171.662.6000112.7Y462 F467 Q492 F494 H510 S511Y462-I508 HydrophobicContact CD2-CD1 4.16Å; F467-I508 HydrophobicContact CD1-CG2 4.04Å; F467-I508 HydrophobicContact CD2-CG1 4.31Å; F467-I508 HydrophobicContact CD2-CG2 3.59Å; F467-I508 HydrophobicContact CE1-CG2 3.81Å; F467-I508 HydrophobicContact CE2-CG2 3.37Å; F467-I508 HydrophobicContact CG-CG2 3.93Å; F467-I508 HydrophobicContact CZ-CG2 3.47Å; F467-I508 VanDerWaalsContact CZ-CG2 3.47Å; Q492-I508 HydrophobicContact CG-CB 4.47Å; Q492-I508 HydrophobicContact CG-CG2 4.21Å; F494-I508 HydrophobicContact CD2-CD1 4.29Å; I508-H510 PolarHBondContact O-N 3.19Å; I508-S511 PolarHBondContact O-OG 3.48Å
509L91.7Very high81.6Confident1 Ų146.7 Ų46.71%0.00522%0.219CC..G310 helixtrans-67.7-14.7174.4-60.7172.5000112.7F467 L471 F485 H489 S507 S511 L512 L513 I518 F521F467-L509 HydrophobicContact CD1-CD2 3.6Å; F467-L509 HydrophobicContact CD1-CG 4.34Å; F467-L509 HydrophobicContact CE1-CD2 4.15Å; F467-L509 HydrophobicContact CE1-CG 4.46Å; F467-L509 HydrophobicContact CG-CD2 4.43Å; L471-L509 HydrophobicContact CD1-CD2 4.01Å; F485-L509 HydrophobicContact CD2-CD1 4.14Å; F485-L509 HydrophobicContact CD2-CD2 3.98Å; F485-L509 HydrophobicContact CE2-CD2 3.84Å; H489-L509 HydrophobicContact CB-CD1 3.96Å; H489-L509 HydrophobicContact CB-CG 4.27Å; S507-L509 PolarHBondContact O-N 3.39Å; S507-L509 VanDerWaalsContact O-N 3.11Å; S507-L509 WeakPolarHBondContact OG-CB 3.34Å; S507-L509 PolarHBondContact OG-N 3.21Å; L509-S511 VanDerWaalsContact C-N 3.27Å; L509-S511 PolarHBondContact O-N 2.92Å; L509-L512 CarbonylContact O-C 3.44Å; L509-L512 PolarHBondContact O-N 3.07Å; L509-L513 HydrophobicContact CB-CD1 4.22Å; L509-L513 HydrophobicContact CD1-CD1 4.34Å; L509-L513 HydrophobicContact CD2-CD1 4.33Å; L509-L513 PolarHBondContact O-N 3.37Å; L509-I518 HydrophobicContact CB-CD1 4.3Å; L509-I518 HydrophobicContact CB-CG1 4.3Å; L509-F521 HydrophobicContact CD1-CD1 4.47Å; L509-F521 HydrophobicContact CD1-CE1 4.44Å
510H89.2Confident83.9Confident59 Ų5941.6 Ų41.627%0.27319%0.191SC..G310 helixtrans-62.7-30.3-177.7179.163000114P504 S507 I508 L512 E515 I518P504-H510 WeakPolarHBondContact O-CB 3.45Å; S507-H510 WeakPolarHBondContact O-CB 3.4Å; S507-H510 PolarHBondContact O-N 3.46Å; I508-H510 PolarHBondContact O-N 3.19Å; H510-L512 VanDerWaalsContact C-N 3.27Å; H510-E515 IonicContact CE1-OE1 3.74Å; H510-E515 PolarHBondContact CE1-OE1 3.26Å; H510-I518 VanDerWaalsContact CA-CD1 3.43Å; H510-I518 HydrophobicContact CB-CD1 3.86Å
511S89.4Confident85.9Confident22 Ų2232.8 Ų32.815%0.15416%0.158CC..G310 helixtrans-78-14.4173.162.90000113I508 L509 S582 I583I508-S511 PolarHBondContact O-OG 3.48Å; L509-S511 VanDerWaalsContact C-N 3.27Å; L509-S511 PolarHBondContact O-N 2.92Å; S511-S582 WeakPolarHBondContact O-CA 3.2Å; S511-I583 PolarHBondContact O-N 3.11Å
512L93.9Very high87.5Confident0 Ų028.4 Ų28.40%014%0.137CC..THydrogen-bonded Turntrans-112.4-27.1-170.8-59.6178.9000113.7F467 F468 L471 L509 H510 I556 M580 I583 Y585F467-L512 HydrophobicContact CB-CD1 4.07Å; F468-L512 HydrophobicContact CD1-CD1 3.8Å; F468-L512 HydrophobicContact CD1-CD2 4.11Å; F468-L512 HydrophobicContact CE1-CD1 3.9Å; F468-L512 HydrophobicContact CE1-CD2 3.94Å; F468-L512 HydrophobicContact CE1-CG 4.39Å; L471-L512 HydrophobicContact CD1-CB 4.06Å; L471-L512 HydrophobicContact CD1-CD1 3.67Å; L509-L512 CarbonylContact O-C 3.44Å; L509-L512 PolarHBondContact O-N 3.07Å; H510-L512 VanDerWaalsContact C-N 3.27Å; L512-I556 HydrophobicContact CD2-CD1 4.17Å; L512-I556 HydrophobicContact CD2-CG1 4.09Å; L512-M580 HydrophobicContact CD2-SD 3.58Å; L512-M580 VanDerWaalsContact CD2-SD 3.58Å; L512-I583 HydrophobicContact CD2-CD1 4.3Å; L512-Y585 PolarHBondContact O-OH 2.95Å
513L94.6Very high88.5Confident4 Ų429.9 Ų29.92%0.02114%0.143CC..SBendtrans-129.3148.7-175.4-68.9175.5000110.2L509 A517 F529 F533 W544 M552L509-L513 HydrophobicContact CB-CD1 4.22Å; L509-L513 HydrophobicContact CD1-CD1 4.34Å; L509-L513 HydrophobicContact CD2-CD1 4.33Å; L509-L513 PolarHBondContact O-N 3.37Å; L513-A517 HydrophobicContact CB-CB 4.29Å; L513-F529 HydrophobicContact CD1-CZ 4.18Å; L513-F533 HydrophobicContact CD2-CE2 4.37Å; L513-W544 HydrophobicContact CD2-CH2 3.82Å; L513-W544 HydrophobicContact CD2-CZ3 4.17Å; L513-M552 HydrophobicContact CD2-SD 3.44Å; L513-M552 WeakPolarHBondContact CD2-SD 3.21Å; L513-M552 HydrophobicContact CG-SD 4.36Å
514P93Very high89.2Confident14 Ų1431.7 Ų31.79%0.09115%0.147CC..  trans-56.7150172.5-22.332.8000112.3A516 A517 I518 W544 M548 Y585 L588P514-A516 PolarHBondContact O-N 3.09Å; P514-A517 WeakPolarHBondContact O-CB 3.17Å; P514-A517 PolarHBondContact O-N 3.35Å; P514-I518 PolarHBondContact O-N 3.45Å; P514-W544 HydrophobicContact CG-CE3 4.35Å; P514-W544 HydrophobicContact CG-CZ3 4.18Å; P514-M548 HydrophobicContact CG-CE 3.94Å; P514-Y585 HydrophobicContact CG-CD2 3.9Å; P514-Y585 HydrophobicContact CG-CE2 3.72Å; P514-Y585 HydrophobicContact CG-CG 4.47Å; P514-L588 HydrophobicContact CB-CD1 3.81Å; P514-L588 HydrophobicContact CG-CD1 3.81Å
515E90.2Very high90.2Very high78 Ų7832.7 Ų32.736%0.36416%0.157SC..Hα-helixtrans-55.8-39.6178.5-67.7-173.9-169.500112.8P504 H510 A517 I518 Y519 F593P504-E515 HydrophobicContact CB-CB 4.35Å; P504-E515 HydrophobicContact CB-CG 4.18Å; P504-E515 HydrophobicContact CG-CB 4.25Å; P504-E515 HydrophobicContact CG-CG 4.46Å; H510-E515 IonicContact CE1-OE1 3.74Å; H510-E515 PolarHBondContact CE1-OE1 3.26Å; E515-A517 VanDerWaalsContact C-N 3.28Å; E515-A517 PolarHBondContact O-N 3.16Å; E515-I518 PolarHBondContact O-N 3.49Å; E515-I518 VanDerWaalsContact O-N 3.11Å; E515-Y519 WeakPolarHBondContact O-CD2 3.33Å; E515-Y519 PolarHBondContact O-N 3.21Å; E515-F593 HydrophobicContact CB-CD1 4.1Å; E515-F593 HydrophobicContact CB-CE1 3.89Å
516A92.7Very high91.2Very high2 Ų231.4 Ų31.42%0.01715%0.149CC..Hα-helixtrans-53-44.7174.800000112.4P514 I518 Y519 Y520 F593 Y598P514-A516 PolarHBondContact O-N 3.09Å; A516-I518 VanDerWaalsContact C-N 3.33Å; A516-I518 PolarHBondContact O-N 3.46Å; A516-Y519 PolarHBondContact O-N 2.84Å; A516-Y520 WeakPolarHBondContact O-CB 3.48Å; A516-Y520 PolarHBondContact O-N 2.99Å; A516-F593 HydrophobicContact CB-CD2 4.09Å; A516-F593 HydrophobicContact CB-CE2 3.5Å; A516-F593 HydrophobicContact CB-CZ 3.8Å; A516-Y598 HydrophobicContact CB-CE2 3.66Å; A516-Y598 WeakPolarHBondContact CB-OH 3.43Å
517A94.2Very high92Very high4 Ų431.8 Ų31.83%0.03316%0.157CC..Hα-helixtrans-64-37.6179.400000111.9L513 P514 E515 Y520 F521 F529 I542L513-A517 HydrophobicContact CB-CB 4.29Å; P514-A517 WeakPolarHBondContact O-CB 3.17Å; P514-A517 PolarHBondContact O-N 3.35Å; E515-A517 VanDerWaalsContact C-N 3.28Å; E515-A517 PolarHBondContact O-N 3.16Å; A517-Y520 PolarHBondContact O-N 3.38Å; A517-F521 VanDerWaalsContact O-CB 3.28Å; A517-F521 WeakPolarHBondContact O-CB 3.27Å; A517-F521 PolarHBondContact O-N 2.89Å; A517-F529 HydrophobicContact CB-CE2 3.97Å; A517-F529 HydrophobicContact CB-CZ 4.35Å; A517-F529 VanDerWaalsContact O-CE2 3.23Å; A517-F529 WeakPolarHBondContact O-CE2 3.36Å; A517-I542 HydrophobicContact CB-CD1 4.28Å
518I93Very high92.4Very high1 Ų138.2 Ų38.21%0.00518%0.181CC..Hα-helixtrans-70.9-42.9178.6-61.4163.9000111.1M490 L503 P504 L509 H510 P514 E515 A516 Y520 F521 E522M490-I518 HydrophobicContact CE-CG2 4.13Å; L503-I518 HydrophobicContact CD2-CG2 4.22Å; P504-I518 HydrophobicContact CB-CB 4.32Å; P504-I518 HydrophobicContact CB-CD1 4.09Å; P504-I518 HydrophobicContact CB-CG2 4.28Å; L509-I518 HydrophobicContact CB-CD1 4.3Å; L509-I518 HydrophobicContact CB-CG1 4.3Å; H510-I518 VanDerWaalsContact CA-CD1 3.43Å; H510-I518 HydrophobicContact CB-CD1 3.86Å; P514-I518 PolarHBondContact O-N 3.45Å; E515-I518 PolarHBondContact O-N 3.49Å; E515-I518 VanDerWaalsContact O-N 3.11Å; A516-I518 VanDerWaalsContact C-N 3.33Å; A516-I518 PolarHBondContact O-N 3.46Å; I518-Y520 VanDerWaalsContact C-N 3.31Å; I518-Y520 PolarHBondContact O-N 3.02Å; I518-F521 PolarHBondContact O-N 3.37Å; I518-E522 WeakPolarHBondContact O-CB 3.38Å; I518-E522 PolarHBondContact O-N 3.3Å
519Y91.2Very high92.9Very high23 Ų2338 Ų389%0.0918%0.18CC..Hα-helixtrans-60.3-44.7172.7-84.3-67.1000111.1L503 P504 E515 A516 E522 N523 F593 H595 K596L503-Y519 HydrophobicContact CB-CE1 4Å; L503-Y519 HydrophobicContact CD1-CE1 4.43Å; L503-Y519 HydrophobicContact CD2-CD1 4.22Å; L503-Y519 HydrophobicContact CD2-CE1 4.29Å; L503-Y519 HydrophobicContact CG-CE1 4.5Å; P504-Y519 VanDerWaalsContact CD-CZ 3.45Å; P504-Y519 WeakPolarHBondContact CD-OH 3.25Å; P504-Y519 HydrophobicContact CG-CD2 3.62Å; P504-Y519 HydrophobicContact CG-CE1 4.36Å; P504-Y519 HydrophobicContact CG-CE2 3.19Å; P504-Y519 HydrophobicContact CG-CG 4.36Å; E515-Y519 WeakPolarHBondContact O-CD2 3.33Å; E515-Y519 PolarHBondContact O-N 3.21Å; A516-Y519 PolarHBondContact O-N 2.84Å; Y519-E522 PolarHBondContact O-N 3.32Å; Y519-N523 WeakPolarHBondContact O-CB 3.49Å; Y519-N523 PolarHBondContact O-N 3.37Å; Y519-N523 PolarHBondContact O-ND2 3.42Å; Y519-F593 AromaticContact CD2-CE1 3.88Å; Y519-F593 HydrophobicContact CD2-CE1 3.88Å; Y519-F593 AromaticContact CD2-CZ 3.96Å; Y519-F593 HydrophobicContact CD2-CZ 3.96Å; Y519-F593 HydrophobicContact CE2-CE1 4.04Å; Y519-H595 VanDerWaalsContact CD2-O 3.22Å; Y519-H595 WeakPolarHBondContact CD2-O 3.35Å; Y519-H595 WeakPolarHBondContact CE2-O 3.31Å; Y519-K596 HydrophobicContact CD1-CG 4.07Å; Y519-K596 HydrophobicContact CG-CG 4.19Å
520Y93.1Very high93.1Very high34 Ų3438.5 Ų38.513%0.13318%0.183CC..Hα-helixtrans-61.2-48.6179-161.4-74.7000111.1A516 A517 I518 E522 N523 Y524 R528 F529 I532 I542A516-Y520 WeakPolarHBondContact O-CB 3.48Å; A516-Y520 PolarHBondContact O-N 2.99Å; A517-Y520 PolarHBondContact O-N 3.38Å; I518-Y520 VanDerWaalsContact C-N 3.31Å; I518-Y520 PolarHBondContact O-N 3.02Å; Y520-E522 VanDerWaalsContact C-N 3.27Å; Y520-E522 PolarHBondContact O-N 3.37Å; Y520-N523 PolarHBondContact O-N 2.94Å; Y520-Y524 AromaticContact CD1-CD2 3.65Å; Y520-Y524 HydrophobicContact CD1-CD2 3.65Å; Y520-Y524 HydrophobicContact CD1-CG 4.14Å; Y520-Y524 AromaticContact CD2-CD2 3.53Å; Y520-Y524 HydrophobicContact CD2-CD2 3.53Å; Y520-Y524 AromaticContact CD2-CE2 3.62Å; Y520-Y524 HydrophobicContact CD2-CE2 3.62Å; Y520-Y524 VanDerWaalsContact CE1-CB 3.43Å; Y520-Y524 AromaticContact CE1-CD2 3.45Å; Y520-Y524 HydrophobicContact CE1-CD2 3.45Å; Y520-Y524 VanDerWaalsContact CE1-CD2 3.45Å; Y520-Y524 HydrophobicContact CE1-CE2 4.32Å; Y520-Y524 AromaticContact CE1-CG 3.59Å; Y520-Y524 HydrophobicContact CE1-CG 3.59Å; Y520-Y524 AromaticContact CE2-CD2 3.37Å; Y520-Y524 HydrophobicContact CE2-CD2 3.37Å; Y520-Y524 AromaticContact CE2-CE2 3.37Å; Y520-Y524 HydrophobicContact CE2-CE2 3.37Å; Y520-Y524 HydrophobicContact CE2-CG 4.09Å; Y520-Y524 AromaticContact CG-CD2 3.67Å; Y520-Y524 HydrophobicContact CG-CD2 3.67Å; Y520-Y524 HydrophobicContact CG-CE2 4.21Å; Y520-Y524 AromaticContact CZ-CD2 3.32Å; Y520-Y524 AromaticContact CZ-CE2 3.76Å; Y520-Y524 AromaticContact CZ-CG 3.57Å; Y520-Y524 PolarHBondContact O-N 3.44Å; Y520-R528 HydrophobicContact CE1-CB 4.02Å; Y520-F529 HydrophobicContact CD1-CD2 4.3Å; Y520-I532 HydrophobicContact CD1-CD1 3.39Å; Y520-I532 HydrophobicContact CD2-CD1 3.89Å; Y520-I532 HydrophobicContact CE1-CD1 3.03Å; Y520-I532 HydrophobicContact CE1-CG1 4.41Å; Y520-I532 HydrophobicContact CE2-CD1 3.55Å; Y520-I532 HydrophobicContact CG-CD1 3.81Å; Y520-I542 HydrophobicContact CD2-CB 4.36Å; Y520-I542 HydrophobicContact CD2-CD1 4.4Å; Y520-I542 HydrophobicContact CD2-CG2 4.27Å; Y520-I542 HydrophobicContact CE2-CG2 4.42Å; Y520-I542 HydrophobicContact CG-CD1 4.15Å
521F94.5Very high93.4Very high1 Ų140.5 Ų40.50%0.00419%0.193CC..Hα-helixtrans-57.4-40.3178.2-176.3-136.5000112.7F482 F485 K486 H489 L509 A517 I518 G525 V526 F529F482-F521 HydrophobicContact CB-CE2 4.21Å; F482-F521 HydrophobicContact CB-CZ 4.48Å; F482-F521 WeakPolarHBondContact O-CZ 3.23Å; F485-F521 HydrophobicContact CB-CE1 4.14Å; F485-F521 HydrophobicContact CB-CZ 4.01Å; K486-F521 HydrophobicContact CB-CE1 4.44Å; K486-F521 HydrophobicContact CB-CE2 4.35Å; K486-F521 HydrophobicContact CB-CZ 3.75Å; K486-F521 HydrophobicContact CD-CE1 4.47Å; K486-F521 HydrophobicContact CD-CE2 4.5Å; K486-F521 HydrophobicContact CD-CZ 4.22Å; H489-F521 AromaticContact CD2-CE1 3.74Å; H489-F521 AromaticContact CE1-CD1 3.7Å; H489-F521 AromaticContact CE1-CE1 3.94Å; H489-F521 AromaticContact NE2-CD1 3.67Å; H489-F521 AromaticContact NE2-CE1 3.55Å; L509-F521 HydrophobicContact CD1-CD1 4.47Å; L509-F521 HydrophobicContact CD1-CE1 4.44Å; A517-F521 VanDerWaalsContact O-CB 3.28Å; A517-F521 WeakPolarHBondContact O-CB 3.27Å; A517-F521 PolarHBondContact O-N 2.89Å; I518-F521 PolarHBondContact O-N 3.37Å; F521-G525 PolarHBondContact O-N 2.9Å; F521-V526 HydrophobicContact CE2-CG2 4.16Å; F521-F529 HydrophobicContact CB-CB 4.42Å; F521-F529 HydrophobicContact CB-CD1 4.31Å; F521-F529 HydrophobicContact CB-CD2 3.59Å; F521-F529 HydrophobicContact CB-CE2 3.87Å; F521-F529 HydrophobicContact CB-CG 3.83Å; F521-F529 HydrophobicContact CB-CZ 4.33Å; F521-F529 HydrophobicContact CD2-CB 3.61Å; F521-F529 AromaticContact CD2-CD1 3.54Å; F521-F529 HydrophobicContact CD2-CD1 3.54Å; F521-F529 HydrophobicContact CD2-CD2 4.17Å; F521-F529 HydrophobicContact CD2-CE1 4.27Å; F521-F529 AromaticContact CD2-CG 3.47Å; F521-F529 HydrophobicContact CD2-CG 3.47Å; F521-F529 VanDerWaalsContact CD2-CG 3.47Å; F521-F529 HydrophobicContact CE2-CB 4.38Å; F521-F529 HydrophobicContact CE2-CD1 4.04Å; F521-F529 HydrophobicContact CE2-CG 4.34Å; F521-F529 HydrophobicContact CG-CB 4.46Å; F521-F529 HydrophobicContact CG-CD1 4.07Å; F521-F529 HydrophobicContact CG-CD2 4.24Å; F521-F529 HydrophobicContact CG-CE1 4.41Å; F521-F529 AromaticContact CG-CG 3.97Å; F521-F529 HydrophobicContact CG-CG 3.97Å
522E91.3Very high93.7Very high66 Ų6639.6 Ų39.631%0.30819%0.186SC..Hα-helixtrans-72.3-38.8-178.9-170.153.3-149.500112.6K486 H489 M490 L503 I518 Y519 Y520K486-E522 PolarHBondContact NZ-O 3.01Å; K486-E522 IonicContact NZ-OE1 3.67Å; K486-E522 PolarHBondContact NZ-OE1 2.94Å; K486-E522 IonicContact NZ-OE2 2.77Å; K486-E522 PolarHBondContact NZ-OE2 3.18Å; H489-E522 IonicContact NE2-OE2 3.86Å; M490-E522 HydrophobicContact CE-CB 4.37Å; M490-E522 HydrophobicContact CE-CG 4.22Å; L503-E522 HydrophobicContact CD1-CG 4.12Å; L503-E522 HydrophobicContact CD2-CB 4.2Å; L503-E522 HydrophobicContact CD2-CG 4.29Å; I518-E522 WeakPolarHBondContact O-CB 3.38Å; I518-E522 PolarHBondContact O-N 3.3Å; Y519-E522 PolarHBondContact O-N 3.32Å; Y520-E522 VanDerWaalsContact C-N 3.27Å; Y520-E522 PolarHBondContact O-N 3.37Å
523N90.2Very high93.7Very high79 Ų7939.9 Ų39.942%0.42219%0.187SC..Hα-helixtrans-85.1-38.2-173.8-66.4-62000113.9Y519 Y520 K596Y519-N523 WeakPolarHBondContact O-CB 3.49Å; Y519-N523 PolarHBondContact O-N 3.37Å; Y519-N523 PolarHBondContact O-ND2 3.42Å; Y520-N523 PolarHBondContact O-N 2.94Å; N523-K596 WeakPolarHBondContact ND2-CE 3.23Å; N523-K596 PolarHBondContact ND2-NZ 3.21Å; N523-K596 PolarHBondContact OD1-NZ 3.15Å
524Y92.1Very high93.8Very high98 Ų9842.5 Ų42.538%0.38420%0.201SC..Hα-helixtrans-102.4-12-172.2-66.5-79.9000114.2Y520 E541Y520-Y524 AromaticContact CD1-CD2 3.65Å; Y520-Y524 HydrophobicContact CD1-CD2 3.65Å; Y520-Y524 HydrophobicContact CD1-CG 4.14Å; Y520-Y524 AromaticContact CD2-CD2 3.53Å; Y520-Y524 HydrophobicContact CD2-CD2 3.53Å; Y520-Y524 AromaticContact CD2-CE2 3.62Å; Y520-Y524 HydrophobicContact CD2-CE2 3.62Å; Y520-Y524 VanDerWaalsContact CE1-CB 3.43Å; Y520-Y524 AromaticContact CE1-CD2 3.45Å; Y520-Y524 HydrophobicContact CE1-CD2 3.45Å; Y520-Y524 VanDerWaalsContact CE1-CD2 3.45Å; Y520-Y524 HydrophobicContact CE1-CE2 4.32Å; Y520-Y524 AromaticContact CE1-CG 3.59Å; Y520-Y524 HydrophobicContact CE1-CG 3.59Å; Y520-Y524 AromaticContact CE2-CD2 3.37Å; Y520-Y524 HydrophobicContact CE2-CD2 3.37Å; Y520-Y524 AromaticContact CE2-CE2 3.37Å; Y520-Y524 HydrophobicContact CE2-CE2 3.37Å; Y520-Y524 HydrophobicContact CE2-CG 4.09Å; Y520-Y524 AromaticContact CG-CD2 3.67Å; Y520-Y524 HydrophobicContact CG-CD2 3.67Å; Y520-Y524 HydrophobicContact CG-CE2 4.21Å; Y520-Y524 AromaticContact CZ-CD2 3.32Å; Y520-Y524 AromaticContact CZ-CE2 3.76Å; Y520-Y524 AromaticContact CZ-CG 3.57Å; Y520-Y524 PolarHBondContact O-N 3.44Å; Y524-E541 VanDerWaalsContact CE2-OE2 3.22Å; Y524-E541 WeakPolarHBondContact CE2-OE2 3.48Å; Y524-E541 VanDerWaalsContact CZ-OE2 3.26Å; Y524-E541 VanDerWaalsContact OH-CD 3.31Å; Y524-E541 PolarHBondContact OH-OE1 2.96Å; Y524-E541 PolarHBondContact OH-OE2 2.75Å
525G92.9Very high93.8Very high21 Ų2142.9 Ų42.922%0.21621%0.207CC..  trans83.6-176.9177.100000114.6F521 F529F521-G525 PolarHBondContact O-N 2.9Å; G525-F529 VanDerWaalsContact O-CB 3.25Å; G525-F529 WeakPolarHBondContact O-CB 3.41Å; G525-F529 PolarHBondContact O-N 3.06Å; G525-F529 VanDerWaalsContact O-N 3.15Å
526V96.2Very high94Very high10 Ų1044.7 Ų44.76%0.06122%0.216CC..Hα-helixtrans-69.2-45.7-165.9-178.90000112.6L479 F482 E483 K486 F521 F529 S530L479-V526 HydrophobicContact CD1-CG1 3.89Å; F482-V526 HydrophobicContact CB-CG1 3.57Å; E483-V526 HydrophobicContact CG-CG1 4.05Å; K486-V526 HydrophobicContact CB-CG2 3.8Å; K486-V526 HydrophobicContact CG-CG2 4.08Å; F521-V526 HydrophobicContact CE2-CG2 4.16Å; V526-F529 PolarHBondContact O-N 3.26Å; V526-S530 WeakPolarHBondContact O-CB 3.48Å; V526-S530 PolarHBondContact O-N 3.14Å; V526-S530 PolarHBondContact O-OG 3.43Å
527E96.5Very high94.1Very high142 Ų14247.8 Ų47.866%0.66423%0.229SC*.Hα-helixtrans-62-52.3-176.1-64.8-178.8169.400111.3L479 F529 S530 E531L479-E527 HydrophobicContact CD1-CG 4.14Å; E527-F529 PolarHBondContact O-N 3.3Å; E527-S530 WeakPolarHBondContact O-CB 3.44Å; E527-S530 PolarHBondContact O-N 3Å; E527-S530 VanDerWaalsContact O-N 3.14Å; E527-E531 PolarHBondContact O-N 3.13Å; E527-E531 VanDerWaalsContact O-N 3.13Å
528R95.4Very high94.1Very high136 Ų13650.9 Ų50.951%0.51325%0.245SC..Hα-helixtrans-63.3-40.1177.9-68.4-58.2-167.8-179.31112.7Y520 S530 E531 I532Y520-R528 HydrophobicContact CE1-CB 4.02Å; R528-S530 VanDerWaalsContact C-N 3.27Å; R528-S530 PolarHBondContact O-N 3.33Å; R528-E531 VanDerWaalsContact CD-OE2 3.32Å; R528-E531 WeakPolarHBondContact CD-OE2 3.28Å; R528-E531 IonicContact CZ-OE2 3.81Å; R528-E531 IonicContact NH1-OE1 3.32Å; R528-E531 IonicContact NH1-OE2 3.2Å; R528-E531 PolarHBondContact NH1-OE2 3.19Å; R528-E531 WeakPolarHBondContact O-CB 3.37Å; R528-E531 PolarHBondContact O-N 2.97Å; R528-I532 PolarHBondContact O-N 2.71Å
529F96.6Very high94.1Very high4 Ų452 Ų522%0.01825%0.251CS..Hα-helixtrans-65.4-34.4176-174-103.6000112.2F482 L513 A517 Y520 F521 G525 V526 E527 I532 F533F482-F529 AromaticContact CD1-CD1 3.97Å; F482-F529 HydrophobicContact CD1-CD1 3.97Å; F482-F529 AromaticContact CD1-CE1 3.87Å; F482-F529 HydrophobicContact CD1-CE1 3.87Å; F482-F529 HydrophobicContact CD2-CD1 4.22Å; F482-F529 HydrophobicContact CE1-CD1 4.06Å; F482-F529 AromaticContact CE1-CE1 3.53Å; F482-F529 HydrophobicContact CE1-CE1 3.53Å; F482-F529 HydrophobicContact CE2-CD1 4.26Å; F482-F529 HydrophobicContact CE2-CE1 4.19Å; F482-F529 HydrophobicContact CG-CD1 4.08Å; F482-F529 HydrophobicContact CG-CE1 4.39Å; F482-F529 HydrophobicContact CZ-CD1 4.2Å; F482-F529 AromaticContact CZ-CE1 3.7Å; F482-F529 HydrophobicContact CZ-CE1 3.7Å; L513-F529 HydrophobicContact CD1-CZ 4.18Å; A517-F529 HydrophobicContact CB-CE2 3.97Å; A517-F529 HydrophobicContact CB-CZ 4.35Å; A517-F529 VanDerWaalsContact O-CE2 3.23Å; A517-F529 WeakPolarHBondContact O-CE2 3.36Å; Y520-F529 HydrophobicContact CD1-CD2 4.3Å; F521-F529 HydrophobicContact CB-CB 4.42Å; F521-F529 HydrophobicContact CB-CD1 4.31Å; F521-F529 HydrophobicContact CB-CD2 3.59Å; F521-F529 HydrophobicContact CB-CE2 3.87Å; F521-F529 HydrophobicContact CB-CG 3.83Å; F521-F529 HydrophobicContact CB-CZ 4.33Å; F521-F529 HydrophobicContact CD2-CB 3.61Å; F521-F529 AromaticContact CD2-CD1 3.54Å; F521-F529 HydrophobicContact CD2-CD1 3.54Å; F521-F529 HydrophobicContact CD2-CD2 4.17Å; F521-F529 HydrophobicContact CD2-CE1 4.27Å; F521-F529 AromaticContact CD2-CG 3.47Å; F521-F529 HydrophobicContact CD2-CG 3.47Å; F521-F529 VanDerWaalsContact CD2-CG 3.47Å; F521-F529 HydrophobicContact CE2-CB 4.38Å; F521-F529 HydrophobicContact CE2-CD1 4.04Å; F521-F529 HydrophobicContact CE2-CG 4.34Å; F521-F529 HydrophobicContact CG-CB 4.46Å; F521-F529 HydrophobicContact CG-CD1 4.07Å; F521-F529 HydrophobicContact CG-CD2 4.24Å; F521-F529 HydrophobicContact CG-CE1 4.41Å; F521-F529 AromaticContact CG-CG 3.97Å; F521-F529 HydrophobicContact CG-CG 3.97Å; G525-F529 VanDerWaalsContact O-CB 3.25Å; G525-F529 WeakPolarHBondContact O-CB 3.41Å; G525-F529 PolarHBondContact O-N 3.06Å; G525-F529 VanDerWaalsContact O-N 3.15Å; V526-F529 PolarHBondContact O-N 3.26Å; E527-F529 PolarHBondContact O-N 3.3Å; F529-I532 PolarHBondContact O-N 3.43Å; F529-F533 HydrophobicContact CE1-CB 4.43Å; F529-F533 HydrophobicContact CE1-CD2 4.41Å; F529-F533 WeakPolarHBondContact O-CB 3.25Å; F529-F533 PolarHBondContact O-N 3.23Å
530S96.1Very high94.2Very high11 Ų1150.9 Ų50.98%0.07725%0.247CC..Hα-helixtrans-65.8-40.5176.7-60.60000112I478 V526 E527 R528 I532 F533 L534I478-S530 WeakPolarHBondContact CD1-O 3.45Å; V526-S530 WeakPolarHBondContact O-CB 3.48Å; V526-S530 PolarHBondContact O-N 3.14Å; V526-S530 PolarHBondContact O-OG 3.43Å; E527-S530 WeakPolarHBondContact O-CB 3.44Å; E527-S530 PolarHBondContact O-N 3Å; E527-S530 VanDerWaalsContact O-N 3.14Å; R528-S530 VanDerWaalsContact C-N 3.27Å; R528-S530 PolarHBondContact O-N 3.33Å; S530-I532 VanDerWaalsContact C-N 3.3Å; S530-I532 PolarHBondContact O-N 3.13Å; S530-F533 PolarHBondContact O-N 3.25Å; S530-L534 WeakPolarHBondContact O-CG 3.1Å; S530-L534 PolarHBondContact O-N 2.71Å
531E95.2Very high94.2Very high101 Ų10150 Ų5047%0.47224%0.244SC..Hα-helixtrans-56.7-45.6172-66.5173.3171.100111E527 R528 G535 F537E527-E531 PolarHBondContact O-N 3.13Å; E527-E531 VanDerWaalsContact O-N 3.13Å; R528-E531 VanDerWaalsContact CD-OE2 3.32Å; R528-E531 WeakPolarHBondContact CD-OE2 3.28Å; R528-E531 IonicContact CZ-OE2 3.81Å; R528-E531 IonicContact NH1-OE1 3.32Å; R528-E531 IonicContact NH1-OE2 3.2Å; R528-E531 PolarHBondContact NH1-OE2 3.19Å; R528-E531 WeakPolarHBondContact O-CB 3.37Å; R528-E531 PolarHBondContact O-N 2.97Å; E531-G535 PolarHBondContact O-N 2.87Å; E531-G535 VanDerWaalsContact O-N 3.1Å; E531-F537 WeakPolarHBondContact O-CE2 3.38Å
532I94.1Very high94.2Very high3 Ų350 Ų502%0.01524%0.244CC..Hα-helixtrans-67.1-47.1179.1-70.1160.6000112.4Y520 R528 F529 S530 L534 G535 F537 I542 W544Y520-I532 HydrophobicContact CD1-CD1 3.39Å; Y520-I532 HydrophobicContact CD2-CD1 3.89Å; Y520-I532 HydrophobicContact CE1-CD1 3.03Å; Y520-I532 HydrophobicContact CE1-CG1 4.41Å; Y520-I532 HydrophobicContact CE2-CD1 3.55Å; Y520-I532 HydrophobicContact CG-CD1 3.81Å; R528-I532 PolarHBondContact O-N 2.71Å; F529-I532 PolarHBondContact O-N 3.43Å; S530-I532 VanDerWaalsContact C-N 3.3Å; S530-I532 PolarHBondContact O-N 3.13Å; I532-L534 PolarHBondContact O-N 3.29Å; I532-L534 VanDerWaalsContact O-N 3.16Å; I532-G535 PolarHBondContact O-N 3.08Å; I532-F537 VanDerWaalsContact CA-CE2 3.41Å; I532-F537 HydrophobicContact CB-CD2 4.07Å; I532-F537 HydrophobicContact CB-CE2 4.15Å; I532-F537 HydrophobicContact CG1-CD1 3.94Å; I532-F537 HydrophobicContact CG1-CD2 3.84Å; I532-F537 HydrophobicContact CG1-CE1 3.86Å; I532-F537 HydrophobicContact CG1-CE2 3.8Å; I532-F537 HydrophobicContact CG1-CG 3.92Å; I532-F537 HydrophobicContact CG1-CZ 3.79Å; I532-F537 HydrophobicContact CG2-CD2 4.03Å; I532-F537 HydrophobicContact CG2-CG 4.3Å; I532-I542 HydrophobicContact CD1-CD1 4.38Å; I532-I542 HydrophobicContact CD1-CG2 4.11Å; I532-I542 HydrophobicContact CG2-CD1 3.6Å; I532-I542 HydrophobicContact CG2-CG1 3.94Å; I532-I542 HydrophobicContact CG2-CG2 4.46Å; I532-W544 HydrophobicContact CG2-CB 4.1Å; I532-W544 HydrophobicContact CG2-CG 4.36Å
533F95.7Very high94.3Very high5 Ų547.6 Ų47.62%0.02223%0.233CC..Hα-helixtrans-59.4-32.2-175.9-174-97.8000112.6L471 I478 F482 L513 F529 S530 W544 R549 M552L471-F533 HydrophobicContact CD2-CE2 4Å; L471-F533 HydrophobicContact CD2-CZ 3.93Å; I478-F533 HydrophobicContact CD1-CB 4.25Å; I478-F533 HydrophobicContact CD1-CD1 3.95Å; F482-F533 HydrophobicContact CE2-CB 3.94Å; F482-F533 AromaticContact CE2-CD1 3.68Å; F482-F533 HydrophobicContact CE2-CD1 3.68Å; F482-F533 HydrophobicContact CE2-CD2 4.31Å; F482-F533 HydrophobicContact CE2-CE1 4.19Å; F482-F533 AromaticContact CE2-CG 3.72Å; F482-F533 HydrophobicContact CE2-CG 3.72Å; F482-F533 HydrophobicContact CZ-CB 4.18Å; F482-F533 AromaticContact CZ-CD1 3.76Å; F482-F533 HydrophobicContact CZ-CD1 3.76Å; F482-F533 AromaticContact CZ-CD2 3.73Å; F482-F533 HydrophobicContact CZ-CD2 3.73Å; F482-F533 AromaticContact CZ-CE1 3.95Å; F482-F533 HydrophobicContact CZ-CE1 3.95Å; F482-F533 AromaticContact CZ-CE2 3.96Å; F482-F533 HydrophobicContact CZ-CE2 3.96Å; F482-F533 AromaticContact CZ-CG 3.61Å; F482-F533 HydrophobicContact CZ-CG 3.61Å; F482-F533 HydrophobicContact CZ-CZ 4.04Å; L513-F533 HydrophobicContact CD2-CE2 4.37Å; F529-F533 HydrophobicContact CE1-CB 4.43Å; F529-F533 HydrophobicContact CE1-CD2 4.41Å; F529-F533 WeakPolarHBondContact O-CB 3.25Å; F529-F533 PolarHBondContact O-N 3.23Å; S530-F533 PolarHBondContact O-N 3.25Å; F533-W544 AromaticContact CD2-CZ2 3.95Å; F533-W544 HydrophobicContact CD2-CZ2 3.95Å; F533-W544 AromaticContact CE2-CZ2 3.9Å; F533-W544 HydrophobicContact CE2-CZ2 3.9Å; F533-W544 PolarHBondContact O-NE1 2.78Å; F533-R549 HydrophobicContact CZ-CG 4.38Å; F533-R549 WeakPolarHBondContact O-CD 3.38Å; F533-M552 HydrophobicContact CE2-CE 3.85Å; F533-M552 HydrophobicContact CZ-CE 3.76Å
534L94.8Very high94.6Very high60 Ų6044.1 Ų44.131%0.31421%0.214SC..Hα-helixtrans-91.7-13.5177.4-59.9177.8000114.4I478 S530 I532I478-L534 HydrophobicContact CD1-CD1 3.7Å; I478-L534 HydrophobicContact CD1-CD2 3.78Å; I478-L534 HydrophobicContact CD1-CG 3.46Å; I478-L534 VanDerWaalsContact CD1-CG 3.46Å; I478-L534 HydrophobicContact CG1-CD1 4Å; I478-L534 HydrophobicContact CG1-CD2 4.3Å; I478-L534 HydrophobicContact CG1-CG 4.21Å; I478-L534 HydrophobicContact CG2-CD2 4.25Å; S530-L534 WeakPolarHBondContact O-CG 3.1Å; S530-L534 PolarHBondContact O-N 2.71Å; I532-L534 PolarHBondContact O-N 3.29Å; I532-L534 VanDerWaalsContact O-N 3.16Å
535G93.7Very high94.7Very high21 Ų2141 Ų4122%0.21620%0.204CC..SBendtrans-109.3-170.6-169.700000114.5E531 I532E531-G535 PolarHBondContact O-N 2.87Å; E531-G535 VanDerWaalsContact O-N 3.1Å; I532-G535 PolarHBondContact O-N 3.08Å
536E95.1Very high94.8Very high117 Ų11743.9 Ų43.955%0.54722%0.217SC..  trans-113.9110.2-179.6-62.6-63.4148.600108.5N545 T546E536-N545 VanDerWaalsContact OE2-CA 3.31Å; E536-N545 WeakPolarHBondContact OE2-CA 3.41Å; E536-N545 WeakPolarHBondContact OE2-CB 3.46Å; E536-T546 WeakPolarHBondContact OE1-CB 3.25Å; E536-T546 PolarHBondContact OE1-N 2.91Å; E536-T546 PolarHBondContact OE1-OG1 2.96Å
537F94.8Very high94.6Very high66 Ų6647.9 Ų47.929%0.28924%0.235SC..EExtended strand (participates in β ladder)trans-131.3125.5-175.7-70.1-96.8000110.3E531 I532 I542 I543 W544E531-F537 WeakPolarHBondContact O-CE2 3.38Å; I532-F537 VanDerWaalsContact CA-CE2 3.41Å; I532-F537 HydrophobicContact CB-CD2 4.07Å; I532-F537 HydrophobicContact CB-CE2 4.15Å; I532-F537 HydrophobicContact CG1-CD1 3.94Å; I532-F537 HydrophobicContact CG1-CD2 3.84Å; I532-F537 HydrophobicContact CG1-CE1 3.86Å; I532-F537 HydrophobicContact CG1-CE2 3.8Å; I532-F537 HydrophobicContact CG1-CG 3.92Å; I532-F537 HydrophobicContact CG1-CZ 3.79Å; I532-F537 HydrophobicContact CG2-CD2 4.03Å; I532-F537 HydrophobicContact CG2-CG 4.3Å; F537-I542 HydrophobicContact CB-CG2 4.03Å; F537-I543 CarbonylContact O-C 3.51Å; F537-I543 WeakPolarHBondContact O-CA 3.23Å; F537-W544 PolarHBondContact N-O 3.12Å; F537-W544 PolarHBondContact O-N 2.98Å; F537-W544 VanDerWaalsContact O-O 3.06Å
538D93.4Very high94.6Very high69 Ų6941.1 Ų41.137%0.36920%0.204SC..EExtended strand (participates in β ladder)trans-138.587.5177.5-177.242.3000108.2H601 R607 F608D538-H601 IonicContact OD1-CD2 3.21Å; D538-H601 IonicContact OD1-CE1 3.27Å; D538-H601 IonicContact OD1-NE2 3.54Å; D538-H601 PolarHBondContact OD1-NE2 2.76Å; D538-H601 IonicContact OD2-NE2 2.78Å; D538-R607 IonicContact OD2-CZ 3.37Å; D538-R607 IonicContact OD2-NH1 2.75Å; D538-R607 PolarHBondContact OD2-NH1 3.4Å; D538-R607 IonicContact OD2-NH2 3.35Å; D538-R607 PolarHBondContact OD2-NH2 3.02Å; D538-F608 WeakPolarHBondContact O-CZ 3.5Å
539N93.4Very high94.6Very high25 Ų2536 Ų3613%0.13419%0.185CC..SBendtrans-145.7172.6-176.469.150.6000111.3E541 I542 F608 W611N539-E541 PolarHBondContact O-N 2.92Å; N539-E541 VanDerWaalsContact O-N 3.12Å; N539-E541 PolarHBondContact OD1-N 3.3Å; N539-I542 PolarHBondContact N-O 3.44Å; N539-I542 PolarHBondContact O-N 2.93Å; N539-I542 PolarHBondContact OD1-N 3.32Å; N539-I542 PolarHBondContact OD1-O 2.77Å; N539-F608 HydrophobicContact CB-CE1 4.03Å; N539-F608 HydrophobicContact CB-CZ 4.38Å; N539-W611 HydrophobicContact CB-CH2 3.93Å; N539-W611 HydrophobicContact CB-CZ2 4.41Å
540P93.2Very high94.5Very high0 Ų042.6 Ų42.60%021%0.209CC..SBendtrans-57.6-26.9-177.2-28.437000115.2Y597 Y598 H601 L602 F608 W611P540-Y597 HydrophobicContact CB-CD1 4.23Å; P540-Y597 CarbonylContact O-C 3.54Å; P540-Y597 WeakPolarHBondContact O-CA 3.48Å; P540-Y598 PolarHBondContact O-N 2.79Å; P540-H601 HydrophobicContact CB-CB 4.3Å; P540-H601 HydrophobicContact CG-CB 4.13Å; P540-L602 HydrophobicContact CB-CB 4.26Å; P540-L602 HydrophobicContact CB-CD1 4.19Å; P540-F608 HydrophobicContact CG-CB 4Å; P540-F608 HydrophobicContact CG-CD1 4.25Å; P540-F608 HydrophobicContact CG-CD2 3.91Å; P540-F608 HydrophobicContact CG-CE2 4.48Å; P540-F608 HydrophobicContact CG-CG 3.77Å; P540-W611 HydrophobicContact CB-CD2 4.24Å; P540-W611 HydrophobicContact CB-CG 4.19Å; P540-W611 HydrophobicContact CG-CB 4.46Å; P540-W611 HydrophobicContact CG-CD2 3.71Å; P540-W611 HydrophobicContact CG-CE3 4.08Å; P540-W611 HydrophobicContact CG-CG 3.88Å
541E93Very high94.5Very high15 Ų1545.2 Ų45.27%0.0722%0.218CC..SBendtrans-93.7-32.2-177.7-68.3-172.517300113.5Y524 N539 K596 Y597 W611Y524-E541 VanDerWaalsContact CE2-OE2 3.22Å; Y524-E541 WeakPolarHBondContact CE2-OE2 3.48Å; Y524-E541 VanDerWaalsContact CZ-OE2 3.26Å; Y524-E541 VanDerWaalsContact OH-CD 3.31Å; Y524-E541 PolarHBondContact OH-OE1 2.96Å; Y524-E541 PolarHBondContact OH-OE2 2.75Å; N539-E541 PolarHBondContact O-N 2.92Å; N539-E541 VanDerWaalsContact O-N 3.12Å; N539-E541 PolarHBondContact OD1-N 3.3Å; E541-K596 WeakPolarHBondContact CA-O 3.49Å; E541-Y597 HydrophobicContact CG-CD1 3.73Å; E541-Y597 HydrophobicContact CG-CE1 3.39Å; E541-Y597 WeakPolarHBondContact OE1-CE1 3.28Å; E541-Y597 PolarHBondContact OE1-OH 3.22Å; E541-W611 HydrophobicContact CG-CZ2 4.31Å
542I94.4Very high94.5Very high2 Ų240.4 Ų40.41%0.0120%0.195CC..  trans-147.7132.8-174.5-168.1138.4000111.6A517 Y520 I532 F537 N539 W544A517-I542 HydrophobicContact CB-CD1 4.28Å; Y520-I542 HydrophobicContact CD2-CB 4.36Å; Y520-I542 HydrophobicContact CD2-CD1 4.4Å; Y520-I542 HydrophobicContact CD2-CG2 4.27Å; Y520-I542 HydrophobicContact CE2-CG2 4.42Å; Y520-I542 HydrophobicContact CG-CD1 4.15Å; I532-I542 HydrophobicContact CD1-CD1 4.38Å; I532-I542 HydrophobicContact CD1-CG2 4.11Å; I532-I542 HydrophobicContact CG2-CD1 3.6Å; I532-I542 HydrophobicContact CG2-CG1 3.94Å; I532-I542 HydrophobicContact CG2-CG2 4.46Å; F537-I542 HydrophobicContact CB-CG2 4.03Å; N539-I542 PolarHBondContact N-O 3.44Å; N539-I542 PolarHBondContact O-N 2.93Å; N539-I542 PolarHBondContact OD1-N 3.32Å; N539-I542 PolarHBondContact OD1-O 2.77Å; I542-W544 HydrophobicContact CG1-CB 4.14Å
543I94.5Very high94.6Very high15 Ų1541 Ų418%0.07720%0.198CC..EExtended strand (participates in β ladder)trans-119.1110.3169.3-59.8169.9000105F537 M548 L588 E591 Y598F537-I543 CarbonylContact O-C 3.51Å; F537-I543 WeakPolarHBondContact O-CA 3.23Å; I543-M548 HydrophobicContact CG2-SD 4.5Å; I543-L588 HydrophobicContact CB-CD2 3.87Å; I543-L588 HydrophobicContact CD1-CD2 4.24Å; I543-L588 HydrophobicContact CG2-CD2 3.83Å; I543-E591 HydrophobicContact CD1-CB 4.49Å; I543-E591 HydrophobicContact CD1-CG 3.88Å; I543-Y598 HydrophobicContact CB-CD2 4.38Å; I543-Y598 HydrophobicContact CB-CE2 3.92Å; I543-Y598 HydrophobicContact CD1-CD1 3.98Å; I543-Y598 HydrophobicContact CD1-CD2 3.57Å; I543-Y598 HydrophobicContact CD1-CE1 4.22Å; I543-Y598 HydrophobicContact CD1-CE2 3.85Å; I543-Y598 HydrophobicContact CD1-CG 3.63Å; I543-Y598 HydrophobicContact CG1-CD2 3.62Å; I543-Y598 HydrophobicContact CG1-CE2 3.68Å; I543-Y598 HydrophobicContact CG1-CG 4.21Å
544W96.5Very high94.5Very high5 Ų544 Ų442%0.01921%0.212CC..EExtended strand (participates in β ladder)trans-152.7133.9-179.6-174.9-97.6000109.8L513 P514 I532 F533 F537 I542 M548 R549 M552 Y585L513-W544 HydrophobicContact CD2-CH2 3.82Å; L513-W544 HydrophobicContact CD2-CZ3 4.17Å; P514-W544 HydrophobicContact CG-CE3 4.35Å; P514-W544 HydrophobicContact CG-CZ3 4.18Å; I532-W544 HydrophobicContact CG2-CB 4.1Å; I532-W544 HydrophobicContact CG2-CG 4.36Å; F533-W544 AromaticContact CD2-CZ2 3.95Å; F533-W544 HydrophobicContact CD2-CZ2 3.95Å; F533-W544 AromaticContact CE2-CZ2 3.9Å; F533-W544 HydrophobicContact CE2-CZ2 3.9Å; F533-W544 PolarHBondContact O-NE1 2.78Å; F537-W544 PolarHBondContact N-O 3.12Å; F537-W544 PolarHBondContact O-N 2.98Å; F537-W544 VanDerWaalsContact O-O 3.06Å; I542-W544 HydrophobicContact CG1-CB 4.14Å; W544-M548 HydrophobicContact CE3-CB 4.11Å; W544-M548 HydrophobicContact CE3-CE 3.91Å; W544-M548 HydrophobicContact CZ3-CB 4.14Å; W544-M548 HydrophobicContact CZ3-CE 4.28Å; W544-R549 HydrophobicContact CH2-CB 4.49Å; W544-R549 HydrophobicContact CZ2-CB 3.62Å; W544-R549 HydrophobicContact CZ2-CG 4.07Å; W544-M552 HydrophobicContact CH2-SD 4.14Å; W544-Y585 HydrophobicContact CZ3-CE1 4.2Å
545N93.8Very high94.6Very high33 Ų3346.6 Ų46.618%0.17622%0.218CC..  trans-141.9169.3179.557.939.9000111E536 E547 M548 R549E536-N545 VanDerWaalsContact OE2-CA 3.31Å; E536-N545 WeakPolarHBondContact OE2-CA 3.41Å; E536-N545 WeakPolarHBondContact OE2-CB 3.46Å; N545-E547 PolarHBondContact O-N 3.43Å; N545-E547 WeakPolarHBondContact OD1-CB 3.43Å; N545-E547 PolarHBondContact OD1-N 3.15Å; N545-M548 PolarHBondContact O-N 3.36Å; N545-M548 WeakPolarHBondContact OD1-CB 3.44Å; N545-M548 VanDerWaalsContact OD1-CG 3.23Å; N545-M548 WeakPolarHBondContact OD1-CG 3.33Å; N545-M548 PolarHBondContact OD1-N 2.85Å; N545-R549 PolarHBondContact O-N 3.49Å
546T93.5Very high94.7Very high81 Ų8145.6 Ų45.650%0.49721%0.208SC..Hα-helixtrans-58.5-32177.9-62.40000111.8E536 R549 R550E536-T546 WeakPolarHBondContact OE1-CB 3.25Å; E536-T546 PolarHBondContact OE1-N 2.91Å; E536-T546 PolarHBondContact OE1-OG1 2.96Å; T546-R549 PolarHBondContact O-N 2.84Å; T546-R550 WeakPolarHBondContact O-CB 3.5Å; T546-R550 PolarHBondContact O-N 2.89Å
547E93.9Very high94.6Very high95 Ų9540.6 Ų40.644%0.44419%0.186SC..Hα-helixtrans-68.4-43.9178.2-170.9175.8-162.900112.2N545 R549 R550 Y551 H587N545-E547 PolarHBondContact O-N 3.43Å; N545-E547 WeakPolarHBondContact OD1-CB 3.43Å; N545-E547 PolarHBondContact OD1-N 3.15Å; E547-R549 VanDerWaalsContact C-N 3.33Å; E547-R550 PolarHBondContact O-N 3.38Å; E547-R550 IonicContact OE1-NH2 2.86Å; E547-Y551 VanDerWaalsContact O-CB 3.32Å; E547-Y551 WeakPolarHBondContact O-CB 3.41Å; E547-Y551 PolarHBondContact O-N 2.72Å; E547-H587 IonicContact OE1-NE2 2.74Å; E547-H587 IonicContact OE2-CD2 3.47Å; E547-H587 IonicContact OE2-CE1 2.88Å; E547-H587 IonicContact OE2-NE2 2.7Å; E547-H587 PolarHBondContact OE2-NE2 3.03Å
548M95.4Very high94.6Very high0 Ų041.4 Ų41.40%020%0.201CC..Hα-helixtrans-63.4-40.1173.7-71.9173.970.900111P514 I543 W544 N545 Y551 M552 Y585 H587 L588P514-M548 HydrophobicContact CG-CE 3.94Å; I543-M548 HydrophobicContact CG2-SD 4.5Å; W544-M548 HydrophobicContact CE3-CB 4.11Å; W544-M548 HydrophobicContact CE3-CE 3.91Å; W544-M548 HydrophobicContact CZ3-CB 4.14Å; W544-M548 HydrophobicContact CZ3-CE 4.28Å; N545-M548 PolarHBondContact O-N 3.36Å; N545-M548 WeakPolarHBondContact OD1-CB 3.44Å; N545-M548 VanDerWaalsContact OD1-CG 3.23Å; N545-M548 WeakPolarHBondContact OD1-CG 3.33Å; N545-M548 PolarHBondContact OD1-N 2.85Å; M548-Y551 PolarHBondContact O-N 3.23Å; M548-M552 WeakPolarHBondContact O-CB 3.43Å; M548-M552 PolarHBondContact O-N 3.1Å; M548-Y585 HydrophobicContact CB-CD1 4.11Å; M548-Y585 HydrophobicContact CB-CE1 4.17Å; M548-Y585 HydrophobicContact CE-CD1 3.79Å; M548-Y585 HydrophobicContact CE-CE1 4.31Å; M548-Y585 HydrophobicContact CE-CG 4.02Å; M548-Y585 HydrophobicContact CG-CD1 4.09Å; M548-H587 HydrophobicContact CG-CB 4.16Å; M548-H587 HydrophobicContact SD-CB 4.12Å; M548-L588 HydrophobicContact CE-CD1 3.7Å; M548-L588 HydrophobicContact CE-CD2 4.18Å; M548-L588 HydrophobicContact CE-CG 3.85Å
549R95.3Very high94.6Very high29 Ų2940.3 Ų40.311%0.10919%0.193CC..Hα-helixtrans-61.3-49173.2-174.9-176179.1-165.81.1111.1Y473 S474 G475 F533 W544 N545 T546 E547 M552 I553Y473-R549 PolarHBondContact O-NH2 3.36Å; Y473-R549 VanDerWaalsContact O-NH2 3.08Å; S474-R549 PolarHBondContact O-NH2 3.2Å; G475-R549 PolarHBondContact O-NH2 3.45Å; G475-R549 VanDerWaalsContact O-NH2 3.13Å; F533-R549 HydrophobicContact CZ-CG 4.38Å; F533-R549 WeakPolarHBondContact O-CD 3.38Å; W544-R549 HydrophobicContact CH2-CB 4.49Å; W544-R549 HydrophobicContact CZ2-CB 3.62Å; W544-R549 HydrophobicContact CZ2-CG 4.07Å; N545-R549 PolarHBondContact O-N 3.49Å; T546-R549 PolarHBondContact O-N 2.84Å; E547-R549 VanDerWaalsContact C-N 3.33Å; R549-M552 WeakPolarHBondContact O-CB 3.32Å; R549-M552 PolarHBondContact O-N 3.19Å; R549-I553 HydrophobicContact CG-CD1 4.08Å; R549-I553 WeakPolarHBondContact O-CG1 3.49Å; R549-I553 PolarHBondContact O-N 3.25Å
550R94.6Very high94.7Very high142 Ų14239.1 Ų39.154%0.53619%0.187SC..Hα-helixtrans-58.6-48.6177.3-179.2-175.864.9165.5-0.9110.7T546 E547 M552 I553 E554T546-R550 WeakPolarHBondContact O-CB 3.5Å; T546-R550 PolarHBondContact O-N 2.89Å; E547-R550 PolarHBondContact O-N 3.38Å; E547-R550 IonicContact OE1-NH2 2.86Å; R550-M552 VanDerWaalsContact C-N 3.33Å; R550-M552 PolarHBondContact O-N 3.42Å; R550-I553 WeakPolarHBondContact O-CB 3.49Å; R550-I553 PolarHBondContact O-N 3.42Å; R550-I553 VanDerWaalsContact O-N 3.12Å; R550-E554 WeakPolarHBondContact CD-OE1 3.17Å; R550-E554 HydrophobicContact CG-CG 4.37Å; R550-E554 VanDerWaalsContact CG-OE1 3.29Å; R550-E554 WeakPolarHBondContact CG-OE1 3.28Å; R550-E554 IonicContact NE-OE1 3.65Å; R550-E554 WeakPolarHBondContact O-CG 3.32Å; R550-E554 PolarHBondContact O-N 3.44Å
551Y95.6Very high94.5Very high65 Ų6541.1 Ų41.126%0.25520%0.203SC..Hα-helixtrans-57.8-45178.3-177.4-108000111.7E547 M548 I553 E554 R555 I583 V584 Y585E547-Y551 VanDerWaalsContact O-CB 3.32Å; E547-Y551 WeakPolarHBondContact O-CB 3.41Å; E547-Y551 PolarHBondContact O-N 2.72Å; M548-Y551 PolarHBondContact O-N 3.23Å; Y551-I553 PolarHBondContact O-N 2.84Å; Y551-E554 PolarHBondContact O-N 3.26Å; Y551-R555 HydrophobicContact CD1-CG 4.31Å; Y551-R555 HydrophobicContact CD2-CG 4.47Å; Y551-R555 HydrophobicContact CE1-CG 3.97Å; Y551-R555 HydrophobicContact CE2-CG 4.16Å; Y551-R555 VanDerWaalsContact O-CG 3.26Å; Y551-R555 WeakPolarHBondContact O-CG 3.3Å; Y551-R555 PolarHBondContact O-N 3.1Å; Y551-I583 HydrophobicContact CD1-CG2 4Å; Y551-I583 HydrophobicContact CE1-CG2 3.68Å; Y551-V584 WeakPolarHBondContact CE1-O 3.26Å; Y551-Y585 HydrophobicContact CD1-CD1 4.07Å; Y551-Y585 HydrophobicContact CD1-CE1 4.23Å
552M96Very high94.2Very high0 Ų046.1 Ų46.10%023%0.23CC..Hα-helixtrans-57.7-49.1174.2-179.4-163.365.200111.5L471 L513 F533 W544 M548 R549 R550 E554 R555 I556 I583 Y585L471-M552 HydrophobicContact CB-CE 4.14Å; L471-M552 HydrophobicContact CD1-SD 4.41Å; L471-M552 HydrophobicContact CD2-CE 4.2Å; L471-M552 HydrophobicContact CD2-SD 4.41Å; L513-M552 HydrophobicContact CD2-SD 3.44Å; L513-M552 WeakPolarHBondContact CD2-SD 3.21Å; L513-M552 HydrophobicContact CG-SD 4.36Å; F533-M552 HydrophobicContact CE2-CE 3.85Å; F533-M552 HydrophobicContact CZ-CE 3.76Å; W544-M552 HydrophobicContact CH2-SD 4.14Å; M548-M552 WeakPolarHBondContact O-CB 3.43Å; M548-M552 PolarHBondContact O-N 3.1Å; R549-M552 WeakPolarHBondContact O-CB 3.32Å; R549-M552 PolarHBondContact O-N 3.19Å; R550-M552 VanDerWaalsContact C-N 3.33Å; R550-M552 PolarHBondContact O-N 3.42Å; M552-E554 VanDerWaalsContact C-N 3.34Å; M552-E554 PolarHBondContact O-N 2.86Å; M552-R555 PolarHBondContact O-N 3.5Å; M552-I556 HydrophobicContact CG-CD1 3.8Å; M552-I556 HydrophobicContact CG-CG1 4.49Å; M552-I556 VanDerWaalsContact O-CG1 3.28Å; M552-I556 WeakPolarHBondContact O-CG1 3.38Å; M552-I556 PolarHBondContact O-N 3.16Å; M552-I556 HydrophobicContact SD-CD1 4.37Å; M552-I583 HydrophobicContact CB-CD1 4.44Å; M552-I583 HydrophobicContact CG-CD1 3.89Å; M552-Y585 HydrophobicContact CB-CE1 4.41Å
553I95.3Very high94.1Very high15 Ų1546.3 Ų46.38%0.07723%0.231CC..Hα-helixtrans-59.4-45.1179.1-67.7168.6000110.6F302 R549 R550 Y551 R555 I556 A557F302-I553 HydrophobicContact CZ-CG2 3.83Å; R549-I553 HydrophobicContact CG-CD1 4.08Å; R549-I553 WeakPolarHBondContact O-CG1 3.49Å; R549-I553 PolarHBondContact O-N 3.25Å; R550-I553 WeakPolarHBondContact O-CB 3.49Å; R550-I553 PolarHBondContact O-N 3.42Å; R550-I553 VanDerWaalsContact O-N 3.12Å; Y551-I553 PolarHBondContact O-N 2.84Å; I553-R555 PolarHBondContact O-N 3.04Å; I553-I556 PolarHBondContact O-N 3.37Å; I553-A557 WeakPolarHBondContact O-CB 3.22Å; I553-A557 PolarHBondContact O-N 3.4Å
554E94.9Very high93.8Very high68 Ų6847.1 Ų47.132%0.31824%0.238SC..Hα-helixtrans-61.3-44178.6-72.1173.1-174.200112.3V304 R550 Y551 M552 A557 S558V304-E554 HydrophobicContact CG1-CG 3.83Å; R550-E554 WeakPolarHBondContact CD-OE1 3.17Å; R550-E554 HydrophobicContact CG-CG 4.37Å; R550-E554 VanDerWaalsContact CG-OE1 3.29Å; R550-E554 WeakPolarHBondContact CG-OE1 3.28Å; R550-E554 IonicContact NE-OE1 3.65Å; R550-E554 WeakPolarHBondContact O-CG 3.32Å; R550-E554 PolarHBondContact O-N 3.44Å; Y551-E554 PolarHBondContact O-N 3.26Å; M552-E554 VanDerWaalsContact C-N 3.34Å; M552-E554 PolarHBondContact O-N 2.86Å; E554-A557 PolarHBondContact O-N 3.34Å; E554-S558 WeakPolarHBondContact O-CB 3.46Å; E554-S558 PolarHBondContact O-N 3.23Å
555R95.6Very high93.3Very high115 Ų11550.4 Ų50.443%0.43426%0.259SS..Hα-helixtrans-64.6-43.7177.8-66.4-61.1-63.5165.9-1.5111.4Y551 M552 I553 H559 M580 I583Y551-R555 HydrophobicContact CD1-CG 4.31Å; Y551-R555 HydrophobicContact CD2-CG 4.47Å; Y551-R555 HydrophobicContact CE1-CG 3.97Å; Y551-R555 HydrophobicContact CE2-CG 4.16Å; Y551-R555 VanDerWaalsContact O-CG 3.26Å; Y551-R555 WeakPolarHBondContact O-CG 3.3Å; Y551-R555 PolarHBondContact O-N 3.1Å; M552-R555 PolarHBondContact O-N 3.5Å; I553-R555 PolarHBondContact O-N 3.04Å; R555-H559 PolarHBondContact O-N 3.04Å; R555-H559 VanDerWaalsContact O-N 3.15Å; R555-M580 VanDerWaalsContact C-CE 3.41Å; R555-M580 HydrophobicContact CB-CE 3.67Å; R555-M580 VanDerWaalsContact O-CE 3.3Å; R555-M580 WeakPolarHBondContact O-CE 3.48Å; R555-I583 HydrophobicContact CB-CD1 4.04Å; R555-I583 HydrophobicContact CB-CG1 4.26Å; R555-I583 HydrophobicContact CG-CG2 4.43Å
556I95.9Very high93.1Very high0 Ų050.8 Ų50.80%026%0.258CS..Hα-helixtrans-67-44.8177.2-62.7170.2000110.1F468 L471 M472 L512 M552 I553 S558 H559 V560 M580 I583F468-I556 HydrophobicContact CB-CG2 3.69Å; F468-I556 HydrophobicContact CD1-CG2 4.46Å; F468-I556 HydrophobicContact CG-CG2 4.36Å; F468-I556 WeakPolarHBondContact O-CG2 3.33Å; L471-I556 HydrophobicContact CB-CD1 3.81Å; L471-I556 HydrophobicContact CD1-CD1 4.32Å; M472-I556 HydrophobicContact CG-CB 4Å; M472-I556 HydrophobicContact CG-CG2 3.58Å; M472-I556 HydrophobicContact SD-CG2 3.85Å; L512-I556 HydrophobicContact CD2-CD1 4.17Å; L512-I556 HydrophobicContact CD2-CG1 4.09Å; M552-I556 HydrophobicContact CG-CD1 3.8Å; M552-I556 HydrophobicContact CG-CG1 4.49Å; M552-I556 VanDerWaalsContact O-CG1 3.28Å; M552-I556 WeakPolarHBondContact O-CG1 3.38Å; M552-I556 PolarHBondContact O-N 3.16Å; M552-I556 HydrophobicContact SD-CD1 4.37Å; I553-I556 PolarHBondContact O-N 3.37Å; I556-S558 VanDerWaalsContact C-N 3.32Å; I556-S558 PolarHBondContact O-N 3.02Å; I556-H559 WeakPolarHBondContact O-CA 3.45Å; I556-H559 WeakPolarHBondContact O-CB 3.42Å; I556-H559 PolarHBondContact O-N 3.41Å; I556-V560 WeakPolarHBondContact O-CG2 2.98Å; I556-V560 PolarHBondContact O-N 3.11Å; I556-M580 HydrophobicContact CG1-CE 4.19Å; I556-M580 HydrophobicContact CG1-SD 4.02Å; I556-I583 HydrophobicContact CG1-CD1 4.28Å
557A93.9Very high92.9Very high12 Ų1247 Ų4710%0.09923%0.234CC..Hα-helixtrans-56.5-46.2177.700000111.2F302 V304 M472 I553 E554 H559 V560 A561F302-A557 HydrophobicContact CE1-CB 4.46Å; V304-A557 HydrophobicContact CG2-CB 4.22Å; M472-A557 HydrophobicContact CE-CB 3.68Å; M472-A557 HydrophobicContact SD-CB 4.42Å; I553-A557 WeakPolarHBondContact O-CB 3.22Å; I553-A557 PolarHBondContact O-N 3.4Å; E554-A557 PolarHBondContact O-N 3.34Å; A557-H559 VanDerWaalsContact C-N 3.27Å; A557-H559 PolarHBondContact O-N 3.01Å; A557-V560 PolarHBondContact O-N 3.4Å; A557-A561 WeakPolarHBondContact O-CA 3.36Å; A557-A561 VanDerWaalsContact O-CB 3.28Å; A557-A561 WeakPolarHBondContact O-CB 3.37Å; A557-A561 PolarHBondContact O-N 3.46Å
558S93.9Very high92.5Very high84 Ų8445.4 Ų45.459%0.58723%0.232SC*.Hα-helixtrans-62.2-33.1175.1-179.40000112.9E554 I556E554-S558 WeakPolarHBondContact O-CB 3.46Å; E554-S558 PolarHBondContact O-N 3.23Å; I556-S558 VanDerWaalsContact C-N 3.32Å; I556-S558 PolarHBondContact O-N 3.02Å
559H94.3Very high92Very high46 Ų4646.2 Ų46.221%0.21324%0.238CC..Hα-helixtrans-73.1-33.7179.1-179.775.6000112.7F468 R555 I556 A557 C578 M580F468-H559 AromaticContact CE2-NE2 3.91Å; R555-H559 PolarHBondContact O-N 3.04Å; R555-H559 VanDerWaalsContact O-N 3.15Å; I556-H559 WeakPolarHBondContact O-CA 3.45Å; I556-H559 WeakPolarHBondContact O-CB 3.42Å; I556-H559 PolarHBondContact O-N 3.41Å; A557-H559 VanDerWaalsContact C-N 3.27Å; A557-H559 PolarHBondContact O-N 3.01Å; H559-C578 PolarHBondContact CE1-O 2.91Å; H559-C578 PolarHBondContact NE2-O 3.38Å; H559-M580 HydrophobicContact CB-CE 4.27Å; H559-M580 HydrophobicContact CB-CG 4.28Å; H559-M580 HydrophobicContact CB-SD 4.08Å
560V94.3Very high91.7Very high0 Ų044.9 Ų44.90%023%0.233CC..Hα-helixtrans-104.25.7-179.2-53.60000113.7F468 F469 M472 I556 A557 D562 F563 S564 Y575F468-V560 HydrophobicContact CB-CG1 3.98Å; F468-V560 HydrophobicContact CD2-CG1 4.07Å; F468-V560 HydrophobicContact CG-CG1 4.33Å; F469-V560 HydrophobicContact CE1-CB 4.44Å; F469-V560 HydrophobicContact CE1-CG1 4.21Å; M472-V560 HydrophobicContact CE-CG2 4.17Å; M472-V560 HydrophobicContact SD-CG2 3.41Å; M472-V560 WeakPolarHBondContact SD-CG2 3.46Å; I556-V560 WeakPolarHBondContact O-CG2 2.98Å; I556-V560 PolarHBondContact O-N 3.11Å; A557-V560 PolarHBondContact O-N 3.4Å; V560-D562 VanDerWaalsContact C-N 3.28Å; V560-D562 PolarHBondContact O-N 3.43Å; V560-F563 PolarHBondContact O-N 3.01Å; V560-S564 PolarHBondContact O-N 2.81Å; V560-S564 PolarHBondContact O-OG 2.92Å; V560-Y575 HydrophobicContact CG1-CE2 4.31Å
561A89.7Confident91.5Very high41 Ų4138.1 Ų38.134%0.33921%0.207SC..Hα-helixtrans-59.6-37.3-17300000112.8A557 F563 V565A557-A561 WeakPolarHBondContact O-CA 3.36Å; A557-A561 VanDerWaalsContact O-CB 3.28Å; A557-A561 WeakPolarHBondContact O-CB 3.37Å; A557-A561 PolarHBondContact O-N 3.46Å; A561-F563 PolarHBondContact O-N 3.47Å; A561-V565 WeakPolarHBondContact O-CG1 3.22Å; A561-V565 VanDerWaalsContact O-CG2 3.29Å; A561-V565 WeakPolarHBondContact O-CG2 3.17Å
562D87.8Confident91.3Very high121 Ų12136.4 Ų36.465%0.64720%0.201SC*.Hα-helixtrans-60.8-29.8176.366.8-28.3000112.6V560 R566V560-D562 VanDerWaalsContact C-N 3.28Å; V560-D562 PolarHBondContact O-N 3.43Å; D562-R566 WeakPolarHBondContact O-CD 3.26Å; D562-R566 VanDerWaalsContact O-CG 3.27Å; D562-R566 WeakPolarHBondContact O-CG 3.42Å
563F91.7Very high91.2Very high6 Ų636.4 Ų36.43%0.02620%0.201CC..Hα-helixtrans-93.4-47.3178.4177.5-106.6000113.5Q431 L434 F469 V560 A561 V565 R566 L567 A573 Y575Q431-F563 HydrophobicContact CG-CE1 4.05Å; Q431-F563 HydrophobicContact CG-CZ 4.02Å; L434-F563 HydrophobicContact CD1-CD1 4.07Å; L434-F563 HydrophobicContact CD1-CE1 3.81Å; F469-F563 HydrophobicContact CE1-CD1 4.34Å; F469-F563 HydrophobicContact CE2-CE1 4.49Å; F469-F563 HydrophobicContact CZ-CD1 4.06Å; F469-F563 AromaticContact CZ-CE1 3.92Å; F469-F563 HydrophobicContact CZ-CE1 3.92Å; V560-F563 PolarHBondContact O-N 3.01Å; A561-F563 PolarHBondContact O-N 3.47Å; F563-V565 VanDerWaalsContact C-N 3.25Å; F563-V565 PolarHBondContact O-N 2.84Å; F563-R566 VanDerWaalsContact O-CB 3.25Å; F563-R566 WeakPolarHBondContact O-CB 3.05Å; F563-R566 WeakPolarHBondContact O-CG 3.48Å; F563-R566 PolarHBondContact O-N 3.12Å; F563-L567 HydrophobicContact CE1-CD1 3.99Å; F563-L567 HydrophobicContact CE1-CD2 4.49Å; F563-L567 HydrophobicContact CE1-CG 4.28Å; F563-L567 HydrophobicContact CZ-CD1 4.27Å; F563-L567 HydrophobicContact CZ-CD2 3.94Å; F563-L567 HydrophobicContact CZ-CG 4.15Å; F563-A573 HydrophobicContact CE2-CB 4.04Å; F563-Y575 HydrophobicContact CB-CD2 3.83Å; F563-Y575 HydrophobicContact CB-CE2 4.26Å; F563-Y575 AromaticContact CD1-CD2 3.59Å; F563-Y575 HydrophobicContact CD1-CD2 3.59Å; F563-Y575 HydrophobicContact CD1-CG 4.15Å; F563-Y575 HydrophobicContact CD2-CD2 4.19Å; F563-Y575 HydrophobicContact CE1-CD2 4.22Å; F563-Y575 HydrophobicContact CE1-CG 4.34Å; F563-Y575 VanDerWaalsContact CE2-N 3.32Å; F563-Y575 AromaticContact CG-CD2 3.58Å; F563-Y575 HydrophobicContact CG-CD2 3.58Å; F563-Y575 HydrophobicContact CG-CE2 4.47Å; F563-Y575 HydrophobicContact CG-CG 4.39Å
564S88.7Confident91.1Very high32 Ų3237.8 Ų37.822%0.22421%0.211CC..Hα-helixtrans-61-33.8-170.658.40000113.1V560 R566V560-S564 PolarHBondContact O-N 2.81Å; V560-S564 PolarHBondContact O-OG 2.92Å; S564-R566 PolarHBondContact O-N 3.29Å
565V85.9Confident91.2Very high74 Ų7435.4 Ų35.445%0.44820%0.199SC..THydrogen-bonded Turntrans-70.6-14.1178.1-59.50000113.5A561 F563A561-V565 WeakPolarHBondContact O-CG1 3.22Å; A561-V565 VanDerWaalsContact O-CG2 3.29Å; A561-V565 WeakPolarHBondContact O-CG2 3.17Å; F563-V565 VanDerWaalsContact C-N 3.25Å; F563-V565 PolarHBondContact O-N 2.84Å
566R88.3Confident91.1Very high41 Ų4136.8 Ų36.816%0.15521%0.21CC..THydrogen-bonded Turntrans-82.8-32.3-177.1-55.9172.460.1-170.4-4.5112.4E322 Q354 D562 F563 S564 S569 N570E322-R566 VanDerWaalsContact CD-NE 3.3Å; E322-R566 HydrophobicContact CG-CB 4.49Å; E322-R566 WeakPolarHBondContact OE1-CG 3.49Å; E322-R566 IonicContact OE1-CZ 3.75Å; E322-R566 IonicContact OE1-NE 2.84Å; E322-R566 PolarHBondContact OE1-NE 3.35Å; E322-R566 IonicContact OE1-NH2 3.81Å; E322-R566 PolarHBondContact OE1-NH2 3.39Å; E322-R566 IonicContact OE2-CZ 3.61Å; E322-R566 IonicContact OE2-NE 3.72Å; E322-R566 PolarHBondContact OE2-NE 3.35Å; E322-R566 IonicContact OE2-NH2 2.72Å; E322-R566 PolarHBondContact OE2-NH2 2.98Å; Q354-R566 VanDerWaalsContact CD-NH2 3.27Å; Q354-R566 VanDerWaalsContact OE1-CZ 3.3Å; Q354-R566 VanDerWaalsContact OE1-NH1 3.12Å; D562-R566 WeakPolarHBondContact O-CD 3.26Å; D562-R566 VanDerWaalsContact O-CG 3.27Å; D562-R566 WeakPolarHBondContact O-CG 3.42Å; F563-R566 VanDerWaalsContact O-CB 3.25Å; F563-R566 WeakPolarHBondContact O-CB 3.05Å; F563-R566 WeakPolarHBondContact O-CG 3.48Å; F563-R566 PolarHBondContact O-N 3.12Å; S564-R566 PolarHBondContact O-N 3.29Å; R566-S569 CarbonylContact O-C 3.54Å; R566-S569 WeakPolarHBondContact O-CA 3.42Å; R566-S569 WeakPolarHBondContact O-CB 3.37Å; R566-S569 PolarHBondContact O-N 3.32Å; R566-N570 PolarHBondContact O-N 2.72Å
567L89.6Confident91Very high2 Ų239.6 Ų39.61%0.0122%0.221CC..THydrogen-bonded Turntrans-60.2-38.4-174.6-69.8173.7000114.5H294 Q431 L434 F563 S569 N570H294-L567 HydrophobicContact CB-CB 4.17Å; Q431-L567 HydrophobicContact CB-CD1 4.41Å; L434-L567 HydrophobicContact CB-CD1 4.03Å; L434-L567 HydrophobicContact CD1-CD1 3.55Å; L434-L567 HydrophobicContact CG-CD1 4.44Å; F563-L567 HydrophobicContact CE1-CD1 3.99Å; F563-L567 HydrophobicContact CE1-CD2 4.49Å; F563-L567 HydrophobicContact CE1-CG 4.28Å; F563-L567 HydrophobicContact CZ-CD1 4.27Å; F563-L567 HydrophobicContact CZ-CD2 3.94Å; F563-L567 HydrophobicContact CZ-CG 4.15Å; L567-S569 PolarHBondContact O-N 3.32Å; L567-N570 PolarHBondContact O-N 2.88Å
568P85.3Confident91Very high60 Ų6042.1 Ų42.139%0.3924%0.238SC..THydrogen-bonded Turntrans-62.5-20.5171.9-24.235.4000114L295L295-P568 WeakPolarHBondContact CD2-O 3.36Å
569S84.7Confident90.8Very high18 Ų1842.5 Ų42.513%0.12624%0.238CC..THydrogen-bonded Turntrans-96.4-40.9175.2-85.80000112.9S320 W323 Q367 R566 L567S320-S569 VanDerWaalsContact CB-OG 3.29Å; S320-S569 WeakPolarHBondContact CB-OG 3.49Å; W323-S569 PolarHBondContact NE1-O 3.21Å; Q367-S569 PolarHBondContact NE2-O 2.78Å; R566-S569 CarbonylContact O-C 3.54Å; R566-S569 WeakPolarHBondContact O-CA 3.42Å; R566-S569 WeakPolarHBondContact O-CB 3.37Å; R566-S569 PolarHBondContact O-N 3.32Å; L567-S569 PolarHBondContact O-N 3.32Å
570N89.5Confident90.6Very high0 Ų041.2 Ų41.20%023%0.232CC..  trans-139.499.6-174.4173.914.5000110.1E322 W323 Q354 R566 L567 Q572 A573E322-N570 HydrophobicContact CB-CB 3.8Å; E322-N570 HydrophobicContact CG-CB 3.86Å; E322-N570 PolarHBondContact OE2-ND2 3.35Å; W323-N570 HydrophobicContact CZ2-CB 4.28Å; Q354-N570 PolarHBondContact O-ND2 3.34Å; R566-N570 PolarHBondContact O-N 2.72Å; L567-N570 PolarHBondContact O-N 2.88Å; N570-Q572 PolarHBondContact O-N 3.25Å; N570-Q572 WeakPolarHBondContact OD1-CA 3.37Å; N570-Q572 WeakPolarHBondContact OD1-CB 3.47Å; N570-Q572 PolarHBondContact OD1-N 3.34Å; N570-A573 HydrophobicContact CB-CB 4.43Å; N570-A573 WeakPolarHBondContact O-CB 3.36Å; N570-A573 PolarHBondContact O-N 2.7Å; N570-A573 PolarHBondContact OD1-N 3.48Å
571V91.3Very high90.4Very high1 Ų147.1 Ų47.11%0.00627%0.268CS..THydrogen-bonded Turntrans-71.5-16.3-179.7-53.30000113.3S291 L292 H294 L295 Q367 H428 A573S291-V571 WeakPolarHBondContact OG-CG2 3.28Å; L292-V571 HydrophobicContact CD2-CG2 4.41Å; H294-V571 HydrophobicContact CB-CG1 4.06Å; L295-V571 HydrophobicContact CD1-CG1 3.99Å; L295-V571 HydrophobicContact CD2-CG1 3.75Å; L295-V571 HydrophobicContact CG-CG1 3.71Å; Q367-V571 HydrophobicContact CB-CG2 4.13Å; H428-V571 PolarHBondContact ND1-O 2.84Å; V571-A573 VanDerWaalsContact C-N 3.33Å
572Q91.6Very high90.4Very high28 Ų2848.2 Ų48.213%0.13127%0.273CS..THydrogen-bonded Turntrans-84.9-7.1177.3-65.2-74.2-11.900112.2E288 G355 L356 N570 V574E288-Q572 PolarHBondContact OE1-NE2 2.63Å; G355-Q572 WeakPolarHBondContact CA-O 3.48Å; L356-Q572 HydrophobicContact CD2-CB 4.49Å; L356-Q572 HydrophobicContact CD2-CG 4.12Å; N570-Q572 PolarHBondContact O-N 3.25Å; N570-Q572 WeakPolarHBondContact OD1-CA 3.37Å; N570-Q572 WeakPolarHBondContact OD1-CB 3.47Å; N570-Q572 PolarHBondContact OD1-N 3.34Å; Q572-V574 PolarHBondContact O-N 3.23Å
573A92.6Very high90.7Very high0 Ų043.3 Ų43.30%025%0.247CC..  trans-60.2133.3174.100000110.3Q431 F563 N570 V571Q431-A573 PolarHBondContact NE2-O 3.16Å; Q431-A573 PolarHBondContact OE1-O 3.09Å; F563-A573 HydrophobicContact CE2-CB 4.04Å; N570-A573 HydrophobicContact CB-CB 4.43Å; N570-A573 WeakPolarHBondContact O-CB 3.36Å; N570-A573 PolarHBondContact O-N 2.7Å; N570-A573 PolarHBondContact OD1-N 3.48Å; V571-A573 VanDerWaalsContact C-N 3.33Å
574V94.7Very high90.7Very high45 Ų4548.4 Ų48.427%0.27328%0.278SS..  trans-109.6129.4178.4176.50000109.4P427 Q572 Q576P427-V574 HydrophobicContact CB-CG1 3.77Å; P427-V574 HydrophobicContact CG-CG1 4.09Å; Q572-V574 PolarHBondContact O-N 3.23Å; V574-Q576 PolarHBondContact O-N 3.14Å
575Y95.4Very high90.9Very high17 Ų1747.5 Ų47.57%0.06727%0.27CS..PPolyproline II helixtrans-61.9133.9176.7-179.7-116.4000111.5F468 F469 V560 F563 Y577F468-Y575 HydrophobicContact CD2-CE1 4.19Å; F468-Y575 HydrophobicContact CE2-CE1 4.4Å; F468-Y575 WeakPolarHBondContact CE2-OH 3.48Å; F469-Y575 HydrophobicContact CE1-CD1 4.45Å; F469-Y575 HydrophobicContact CE1-CD2 4.35Å; F469-Y575 HydrophobicContact CE1-CG 4.31Å; F469-Y575 HydrophobicContact CE2-CG 4.45Å; F469-Y575 AromaticContact CZ-CD1 3.74Å; F469-Y575 HydrophobicContact CZ-CD1 3.74Å; F469-Y575 AromaticContact CZ-CD2 3.95Å; F469-Y575 HydrophobicContact CZ-CD2 3.95Å; F469-Y575 HydrophobicContact CZ-CE1 4.32Å; F469-Y575 AromaticContact CZ-CG 3.54Å; F469-Y575 HydrophobicContact CZ-CG 3.54Å; V560-Y575 HydrophobicContact CG1-CE2 4.31Å; F563-Y575 HydrophobicContact CB-CD2 3.83Å; F563-Y575 HydrophobicContact CB-CE2 4.26Å; F563-Y575 AromaticContact CD1-CD2 3.59Å; F563-Y575 HydrophobicContact CD1-CD2 3.59Å; F563-Y575 HydrophobicContact CD1-CG 4.15Å; F563-Y575 HydrophobicContact CD2-CD2 4.19Å; F563-Y575 HydrophobicContact CE1-CD2 4.22Å; F563-Y575 HydrophobicContact CE1-CG 4.34Å; F563-Y575 VanDerWaalsContact CE2-N 3.32Å; F563-Y575 AromaticContact CG-CD2 3.58Å; F563-Y575 HydrophobicContact CG-CD2 3.58Å; F563-Y575 HydrophobicContact CG-CE2 4.47Å; F563-Y575 HydrophobicContact CG-CG 4.39Å; Y575-Y577 HydrophobicContact CE1-CD2 4.34Å
576Q94.5Very high91.2Very high144 Ų14451.3 Ų51.367%0.67328%0.283SS*.PPolyproline II helixtrans-101.7118172.4-67.5-178.4-9.600108.7V574 C578V574-Q576 PolarHBondContact O-N 3.14Å; Q576-C578 PolarHBondContact O-N 2.96Å
577Y94.2Very high91.1Very high59 Ų5952.9 Ų52.923%0.23129%0.292CS..PPolyproline II helixtrans-61.4124-176.6-175.6-103.2000112.3Y462 L463 F468 Y575 P579Y462-Y577 HydrophobicContact CD2-CE1 4.09Å; Y462-Y577 AromaticContact CD2-CE2 3.87Å; Y462-Y577 HydrophobicContact CD2-CE2 3.87Å; Y462-Y577 AromaticContact CD2-CZ 3.61Å; Y462-Y577 HydrophobicContact CE2-CD1 4.45Å; Y462-Y577 AromaticContact CE2-CE1 3.79Å; Y462-Y577 HydrophobicContact CE2-CE1 3.79Å; Y462-Y577 HydrophobicContact CE2-CE2 4.41Å; Y462-Y577 AromaticContact CE2-CZ 3.78Å; Y462-Y577 WeakPolarHBondContact O-CD2 3.32Å; Y462-Y577 WeakPolarHBondContact O-CE2 3.44Å; L463-Y577 HydrophobicContact CB-CG 4.49Å; L463-Y577 HydrophobicContact CD2-CD1 3.47Å; L463-Y577 VanDerWaalsContact CD2-CD1 3.47Å; L463-Y577 HydrophobicContact CD2-CD2 4.41Å; L463-Y577 HydrophobicContact CD2-CE1 3.99Å; L463-Y577 HydrophobicContact CD2-CG 3.7Å; L463-Y577 WeakPolarHBondContact O-CB 3.47Å; F468-Y577 HydrophobicContact CE2-CD2 4.15Å; F468-Y577 AromaticContact CE2-CE2 3.77Å; F468-Y577 HydrophobicContact CE2-CE2 3.77Å; F468-Y577 AromaticContact CZ-CE2 3.86Å; F468-Y577 HydrophobicContact CZ-CE2 3.86Å; Y575-Y577 HydrophobicContact CE1-CD2 4.34Å; Y577-P579 HydrophobicContact CD1-CG 4.49Å; Y577-P579 HydrophobicContact CE1-CB 4.42Å; Y577-P579 HydrophobicContact CE1-CG 3.9Å
578C92.3Very high91.1Very high66 Ų6654 Ų5445%0.44630%0.298SS..  trans-119.8124.8168.1-172.40000108.8H559 Q576 M580H559-C578 PolarHBondContact CE1-O 2.91Å; H559-C578 PolarHBondContact NE2-O 3.38Å; Q576-C578 PolarHBondContact O-N 2.96Å; C578-M580 PolarHBondContact O-N 3.08Å
579P90.3Very high91.1Very high91 Ų9159.4 Ų59.459%0.59132%0.315SS*.PPolyproline II helixtrans-57.7134.3173.3-21.231.1000111.2Y577Y577-P579 HydrophobicContact CD1-CG 4.49Å; Y577-P579 HydrophobicContact CE1-CB 4.42Å; Y577-P579 HydrophobicContact CE1-CG 3.9Å
580M89.8Confident91.1Very high20 Ų2065.3 Ų65.310%0.09935%0.345CS..PPolyproline II helixtrans-93.4137.2177.6-170.1177.9174.700110F468 L512 R555 I556 H559 C578 I583F468-M580 HydrophobicContact CE1-CB 4.17Å; F468-M580 HydrophobicContact CZ-CB 4.1Å; L512-M580 HydrophobicContact CD2-SD 3.58Å; L512-M580 VanDerWaalsContact CD2-SD 3.58Å; R555-M580 VanDerWaalsContact C-CE 3.41Å; R555-M580 HydrophobicContact CB-CE 3.67Å; R555-M580 VanDerWaalsContact O-CE 3.3Å; R555-M580 WeakPolarHBondContact O-CE 3.48Å; I556-M580 HydrophobicContact CG1-CE 4.19Å; I556-M580 HydrophobicContact CG1-SD 4.02Å; H559-M580 HydrophobicContact CB-CE 4.27Å; H559-M580 HydrophobicContact CB-CG 4.28Å; H559-M580 HydrophobicContact CB-SD 4.08Å; C578-M580 PolarHBondContact O-N 3.08Å; M580-I583 HydrophobicContact CE-CD1 3.89Å; M580-I583 HydrophobicContact CE-CG1 3.82Å
581V89.8Confident91.1Very high123 Ų12366.8 Ų66.875%0.74535%0.352SS*.PPolyproline II helixtrans-63135.4170.4-1800000108.9I583V581-I583 PolarHBondContact O-N 2.94Å
582S90.8Very high91Very high64 Ų6470.1 Ų70.145%0.44837%0.37SS..PPolyproline II helixtrans-52.1132.7-178.8-60.80000112.1S511 V584S511-S582 WeakPolarHBondContact O-CA 3.2Å; S582-V584 PolarHBondContact O-N 3.47Å
583I93.4Very high90.9Very high19 Ų1970.7 Ų70.710%0.09737%0.371CS..PPolyproline II helixtrans-70.9121.7179.2-59.9176.8000108.9S511 L512 Y551 M552 R555 I556 M580 V581 Y585S511-I583 PolarHBondContact O-N 3.11Å; L512-I583 HydrophobicContact CD2-CD1 4.3Å; Y551-I583 HydrophobicContact CD1-CG2 4Å; Y551-I583 HydrophobicContact CE1-CG2 3.68Å; M552-I583 HydrophobicContact CB-CD1 4.44Å; M552-I583 HydrophobicContact CG-CD1 3.89Å; R555-I583 HydrophobicContact CB-CD1 4.04Å; R555-I583 HydrophobicContact CB-CG1 4.26Å; R555-I583 HydrophobicContact CG-CG2 4.43Å; I556-I583 HydrophobicContact CG1-CD1 4.28Å; M580-I583 HydrophobicContact CE-CD1 3.89Å; M580-I583 HydrophobicContact CE-CG1 3.82Å; V581-I583 PolarHBondContact O-N 2.94Å; I583-Y585 HydrophobicContact CB-CE2 4.04Å; I583-Y585 HydrophobicContact CG2-CD1 4.47Å; I583-Y585 HydrophobicContact CG2-CD2 4.13Å; I583-Y585 HydrophobicContact CG2-CE1 4.09Å; I583-Y585 HydrophobicContact CG2-CE2 3.71Å; I583-Y585 HydrophobicContact CG2-CG 4.5Å
584V92.3Very high90.7Very high112 Ų11270.7 Ų70.768%0.67937%0.371SS*.  trans-96.7114.5174.7-177.40000108.2Y551 S582Y551-V584 WeakPolarHBondContact CE1-O 3.26Å; S582-V584 PolarHBondContact O-N 3.47Å
585Y93.7Very high90.3Very high14 Ų1469.8 Ų69.86%0.05536%0.364CS..  trans-87.5114.5179.9-65.9-90.8000110.2L512 P514 W544 M548 Y551 M552 I583 H587 L588L512-Y585 PolarHBondContact O-OH 2.95Å; P514-Y585 HydrophobicContact CG-CD2 3.9Å; P514-Y585 HydrophobicContact CG-CE2 3.72Å; P514-Y585 HydrophobicContact CG-CG 4.47Å; W544-Y585 HydrophobicContact CZ3-CE1 4.2Å; M548-Y585 HydrophobicContact CB-CD1 4.11Å; M548-Y585 HydrophobicContact CB-CE1 4.17Å; M548-Y585 HydrophobicContact CE-CD1 3.79Å; M548-Y585 HydrophobicContact CE-CE1 4.31Å; M548-Y585 HydrophobicContact CE-CG 4.02Å; M548-Y585 HydrophobicContact CG-CD1 4.09Å; Y551-Y585 HydrophobicContact CD1-CD1 4.07Å; Y551-Y585 HydrophobicContact CD1-CE1 4.23Å; M552-Y585 HydrophobicContact CB-CE1 4.41Å; I583-Y585 HydrophobicContact CB-CE2 4.04Å; I583-Y585 HydrophobicContact CG2-CD1 4.47Å; I583-Y585 HydrophobicContact CG2-CD2 4.13Å; I583-Y585 HydrophobicContact CG2-CE1 4.09Å; I583-Y585 HydrophobicContact CG2-CE2 3.71Å; I583-Y585 HydrophobicContact CG2-CG 4.5Å; Y585-H587 PolarHBondContact O-N 3.35Å; Y585-L588 HydrophobicContact CG-CD1 4.46Å; Y585-L588 PolarHBondContact O-N 3.45Å
586E90.3Very high90Very high153 Ų15369.9 Ų69.972%0.71537%0.365SS*.G310 helixtrans-60.4-35.7179.1-65.3-168.9169.700112.2L588 K589E586-L588 PolarHBondContact O-N 3.44Å; E586-L588 VanDerWaalsContact O-N 3.13Å; E586-K589 VanDerWaalsContact O-CB 3.27Å; E586-K589 WeakPolarHBondContact O-CB 3.42Å; E586-K589 PolarHBondContact O-N 2.84Å; E586-K589 VanDerWaalsContact O-N 3.07Å
587H87.1Confident90Very high74 Ų7463 Ų6334%0.34333%0.333SS..G310 helixtrans-56.5-26.2174.8-57.379.4000113.7E547 M548 Y585E547-H587 IonicContact OE1-NE2 2.74Å; E547-H587 IonicContact OE2-CD2 3.47Å; E547-H587 IonicContact OE2-CE1 2.88Å; E547-H587 IonicContact OE2-NE2 2.7Å; E547-H587 PolarHBondContact OE2-NE2 3.03Å; M548-H587 HydrophobicContact CG-CB 4.16Å; M548-H587 HydrophobicContact SD-CB 4.12Å; Y585-H587 PolarHBondContact O-N 3.35Å
588L89.6Confident90Very high26 Ų2660.6 Ų60.614%0.13632%0.323CS..G310 helixtrans-101.61.3-178.4-58.5-179.2000113.2P514 I543 M548 Y585 E586 N590 E591 Y598P514-L588 HydrophobicContact CB-CD1 3.81Å; P514-L588 HydrophobicContact CG-CD1 3.81Å; I543-L588 HydrophobicContact CB-CD2 3.87Å; I543-L588 HydrophobicContact CD1-CD2 4.24Å; I543-L588 HydrophobicContact CG2-CD2 3.83Å; M548-L588 HydrophobicContact CE-CD1 3.7Å; M548-L588 HydrophobicContact CE-CD2 4.18Å; M548-L588 HydrophobicContact CE-CG 3.85Å; Y585-L588 HydrophobicContact CG-CD1 4.46Å; Y585-L588 PolarHBondContact O-N 3.45Å; E586-L588 PolarHBondContact O-N 3.44Å; E586-L588 VanDerWaalsContact O-N 3.13Å; L588-N590 PolarHBondContact O-N 3.25Å; L588-N590 VanDerWaalsContact O-N 3.16Å; L588-E591 HydrophobicContact CD2-CG 4.45Å; L588-E591 PolarHBondContact O-N 3.17Å; L588-Y598 HydrophobicContact CD2-CE1 4.15Å
589K84.8Confident89.9Confident174 Ų17459.3 Ų59.376%0.75731%0.312SS*.THydrogen-bonded Turntrans-58.5-33.2-173.1-175.9-179.9178.2-177.80113.8E586E586-K589 VanDerWaalsContact O-CB 3.27Å; E586-K589 WeakPolarHBondContact O-CB 3.42Å; E586-K589 PolarHBondContact O-N 2.84Å; E586-K589 VanDerWaalsContact O-N 3.07Å
590N84.6Confident89.9Confident142 Ų14261.1 Ų61.176%0.75931%0.31SS*.THydrogen-bonded Turntrans-101.75.5-179-61.9-25.3000112.7L588L588-N590 PolarHBondContact O-N 3.25Å; L588-N590 VanDerWaalsContact O-N 3.16Å
591E90Very high90Very high31 Ų3160.8 Ų60.815%0.14531%0.309CS..  trans-97.8127.9-178.4-63.9-62.1146.100109.6I543 L588 Y598 K600 H601I543-E591 HydrophobicContact CD1-CB 4.49Å; I543-E591 HydrophobicContact CD1-CG 3.88Å; L588-E591 HydrophobicContact CD2-CG 4.45Å; L588-E591 PolarHBondContact O-N 3.17Å; E591-Y598 HydrophobicContact CB-CD1 3.76Å; E591-Y598 HydrophobicContact CB-CE1 4.02Å; E591-K600 WeakPolarHBondContact OE1-CD 3.42Å; E591-K600 IonicContact OE1-NZ 3.63Å; E591-K600 PolarHBondContact OE1-NZ 3.49Å; E591-H601 IonicContact OE1-CE1 3.15Å; E591-H601 IonicContact OE2-CE1 3.12Å; E591-H601 IonicContact OE2-ND1 3.61Å; E591-H601 PolarHBondContact OE2-ND1 3.37Å
592L89Confident90.1Very high71 Ų7156.4 Ų56.437%0.37228%0.281SS..  trans-98.6107.5178.3-163115.4000109.4L599 T626L592-L599 HydrophobicContact CD2-CB 4.43Å; L592-L599 HydrophobicContact CD2-CD1 3.38Å; L592-L599 HydrophobicContact CD2-CG 3.91Å; L592-L599 PolarHBondContact O-N 3.01Å; L592-T626 HydrophobicContact CD1-CG2 3.83Å; L592-T626 HydrophobicContact CD2-CG2 3.77Å; L592-T626 HydrophobicContact CG-CG2 3.99Å
593F90.1Very high90.1Very high39 Ų3957.9 Ų57.917%0.17129%0.29CS..EExtended strand (participates in β ladder)trans-92.3124.1178.7-170.9-106.2000110.9E515 A516 Y519 H595 K596 Y598E515-F593 HydrophobicContact CB-CD1 4.1Å; E515-F593 HydrophobicContact CB-CE1 3.89Å; A516-F593 HydrophobicContact CB-CD2 4.09Å; A516-F593 HydrophobicContact CB-CE2 3.5Å; A516-F593 HydrophobicContact CB-CZ 3.8Å; Y519-F593 AromaticContact CD2-CE1 3.88Å; Y519-F593 HydrophobicContact CD2-CE1 3.88Å; Y519-F593 AromaticContact CD2-CZ 3.96Å; Y519-F593 HydrophobicContact CD2-CZ 3.96Å; Y519-F593 HydrophobicContact CE2-CE1 4.04Å; F593-H595 WeakPolarHBondContact CE1-O 3.1Å; F593-H595 WeakPolarHBondContact CZ-O 3.32Å; F593-K596 VanDerWaalsContact CE2-C 3.43Å; F593-Y598 HydrophobicContact CB-CD1 3.94Å; F593-Y598 HydrophobicContact CB-CE1 3.84Å; F593-Y598 AromaticContact CD2-CD1 3.78Å; F593-Y598 HydrophobicContact CD2-CD1 3.78Å; F593-Y598 HydrophobicContact CD2-CD2 4.08Å; F593-Y598 AromaticContact CD2-CE1 3.73Å; F593-Y598 HydrophobicContact CD2-CE1 3.73Å; F593-Y598 HydrophobicContact CD2-CE2 4.03Å; F593-Y598 AromaticContact CD2-CG 3.98Å; F593-Y598 HydrophobicContact CD2-CG 3.98Å; F593-Y598 AromaticContact CD2-CZ 3.87Å; F593-Y598 HydrophobicContact CE2-CD2 4.48Å; F593-Y598 HydrophobicContact CE2-CE2 4.34Å; F593-Y598 HydrophobicContact CG-CD1 4.34Å; F593-Y598 HydrophobicContact CG-CE1 4.15Å
594C88.9Confident90Very high0 Ų059.3 Ų59.30%030%0.298CS..EExtended strand (participates in β ladder)trans-127.5122.4175.4-71.90000110.2K596 Y597 L599 L619 T626C594-K596 PolarHBondContact O-N 2.97Å; C594-Y597 PolarHBondContact N-O 3Å; C594-Y597 PolarHBondContact O-N 2.84Å; C594-L599 HydrophobicContact CB-CD1 4.41Å; C594-L599 HydrophobicContact CB-CD2 3.95Å; C594-L599 HydrophobicContact CB-CG 4.16Å; C594-L619 HydrophobicContact CB-CD1 3.98Å; C594-L619 VanDerWaalsContact O-CD1 3.26Å; C594-L619 WeakPolarHBondContact O-CD1 3.17Å; C594-T626 PolarHBondContact SG-OG1 2.92Å
595H85.5Confident89.8Confident26 Ų2659 Ų5912%0.1230%0.296CS..THydrogen-bonded Turntrans52.9-89.8-175-169.858.5000113.6Y519 F593 E615 L619 S622Y519-H595 VanDerWaalsContact CD2-O 3.22Å; Y519-H595 WeakPolarHBondContact CD2-O 3.35Å; Y519-H595 WeakPolarHBondContact CE2-O 3.31Å; F593-H595 WeakPolarHBondContact CE1-O 3.1Å; F593-H595 WeakPolarHBondContact CZ-O 3.32Å; H595-E615 IonicContact CE1-OE2 3.67Å; H595-E615 IonicContact NE2-OE2 2.76Å; H595-E615 PolarHBondContact NE2-OE2 3.16Å; H595-L619 HydrophobicContact CB-CD1 4.28Å; H595-S622 PolarHBondContact N-OG 2.85Å
596K89.9Confident89.7Confident20 Ų2065.6 Ų65.69%0.08733%0.331CS..THydrogen-bonded Turntrans-119.22.2-178.3-69-178.7-172.6-177.30113.1Y519 N523 E541 F593 C594 E615Y519-K596 HydrophobicContact CD1-CG 4.07Å; Y519-K596 HydrophobicContact CG-CG 4.19Å; N523-K596 WeakPolarHBondContact ND2-CE 3.23Å; N523-K596 PolarHBondContact ND2-NZ 3.21Å; N523-K596 PolarHBondContact OD1-NZ 3.15Å; E541-K596 WeakPolarHBondContact CA-O 3.49Å; F593-K596 VanDerWaalsContact CE2-C 3.43Å; C594-K596 PolarHBondContact O-N 2.97Å; K596-E615 WeakPolarHBondContact CE-OE2 3.33Å; K596-E615 IonicContact NZ-OE2 3.47Å; K596-E615 PolarHBondContact NZ-OE2 3.28Å
597Y93Very high89.7Confident0 Ų064.4 Ų64.40%032%0.32CS..EExtended strand (participates in β ladder)trans-133137.2-166.3-57.8-79.4000113.1P540 E541 C594 L599 L602 W611 P612 I613 V614 L619P540-Y597 HydrophobicContact CB-CD1 4.23Å; P540-Y597 CarbonylContact O-C 3.54Å; P540-Y597 WeakPolarHBondContact O-CA 3.48Å; E541-Y597 HydrophobicContact CG-CD1 3.73Å; E541-Y597 HydrophobicContact CG-CE1 3.39Å; E541-Y597 WeakPolarHBondContact OE1-CE1 3.28Å; E541-Y597 PolarHBondContact OE1-OH 3.22Å; C594-Y597 PolarHBondContact N-O 3Å; C594-Y597 PolarHBondContact O-N 2.84Å; Y597-L599 PolarHBondContact O-N 3.49Å; Y597-L602 HydrophobicContact CD1-CD1 4.18Å; Y597-L602 HydrophobicContact CG-CD1 4.48Å; Y597-L602 HydrophobicContact CG-CD2 4.27Å; Y597-W611 AromaticContact CE1-CD1 3.95Å; Y597-W611 AromaticContact CE1-NE1 3.82Å; Y597-P612 PolarHBondContact OH-O 2.55Å; Y597-I613 HydrophobicContact CE2-CG2 4.06Å; Y597-V614 WeakPolarHBondContact OH-CB 3.12Å; Y597-V614 WeakPolarHBondContact OH-CG2 3.17Å; Y597-V614 PolarHBondContact OH-N 2.9Å; Y597-L619 HydrophobicContact CD2-CD1 4.01Å; Y597-L619 HydrophobicContact CD2-CD2 3.87Å; Y597-L619 HydrophobicContact CD2-CG 4.43Å; Y597-L619 HydrophobicContact CE2-CD2 4.4Å
598Y94Very high90Very high7 Ų762.1 Ų62.13%0.02731%0.309CS..EExtended strand (participates in β ladder)trans-77.6112.3163.1-68.7-71.8000109.2A516 P540 I543 L588 E591 F593 K600 H601 L602A516-Y598 HydrophobicContact CB-CE2 3.66Å; A516-Y598 WeakPolarHBondContact CB-OH 3.43Å; P540-Y598 PolarHBondContact O-N 2.79Å; I543-Y598 HydrophobicContact CB-CD2 4.38Å; I543-Y598 HydrophobicContact CB-CE2 3.92Å; I543-Y598 HydrophobicContact CD1-CD1 3.98Å; I543-Y598 HydrophobicContact CD1-CD2 3.57Å; I543-Y598 HydrophobicContact CD1-CE1 4.22Å; I543-Y598 HydrophobicContact CD1-CE2 3.85Å; I543-Y598 HydrophobicContact CD1-CG 3.63Å; I543-Y598 HydrophobicContact CG1-CD2 3.62Å; I543-Y598 HydrophobicContact CG1-CE2 3.68Å; I543-Y598 HydrophobicContact CG1-CG 4.21Å; L588-Y598 HydrophobicContact CD2-CE1 4.15Å; E591-Y598 HydrophobicContact CB-CD1 3.76Å; E591-Y598 HydrophobicContact CB-CE1 4.02Å; F593-Y598 HydrophobicContact CB-CD1 3.94Å; F593-Y598 HydrophobicContact CB-CE1 3.84Å; F593-Y598 AromaticContact CD2-CD1 3.78Å; F593-Y598 HydrophobicContact CD2-CD1 3.78Å; F593-Y598 HydrophobicContact CD2-CD2 4.08Å; F593-Y598 AromaticContact CD2-CE1 3.73Å; F593-Y598 HydrophobicContact CD2-CE1 3.73Å; F593-Y598 HydrophobicContact CD2-CE2 4.03Å; F593-Y598 AromaticContact CD2-CG 3.98Å; F593-Y598 HydrophobicContact CD2-CG 3.98Å; F593-Y598 AromaticContact CD2-CZ 3.87Å; F593-Y598 HydrophobicContact CE2-CD2 4.48Å; F593-Y598 HydrophobicContact CE2-CE2 4.34Å; F593-Y598 HydrophobicContact CG-CD1 4.34Å; F593-Y598 HydrophobicContact CG-CE1 4.15Å; Y598-K600 VanDerWaalsContact C-N 3.31Å; Y598-K600 PolarHBondContact O-N 2.8Å; Y598-H601 PolarHBondContact O-N 3.3Å; Y598-H601 VanDerWaalsContact O-N 3.16Å; Y598-L602 PolarHBondContact O-N 3.49Å
599L91.5Very high90Very high39 Ų3965 Ų6520%0.20433%0.329CS..Hα-helixtrans-62.5-36.7-169.8-66.4-163.8000113.3L592 C594 Y597 H601 L602 C603 L619L592-L599 HydrophobicContact CD2-CB 4.43Å; L592-L599 HydrophobicContact CD2-CD1 3.38Å; L592-L599 HydrophobicContact CD2-CG 3.91Å; L592-L599 PolarHBondContact O-N 3.01Å; C594-L599 HydrophobicContact CB-CD1 4.41Å; C594-L599 HydrophobicContact CB-CD2 3.95Å; C594-L599 HydrophobicContact CB-CG 4.16Å; Y597-L599 PolarHBondContact O-N 3.49Å; L599-H601 VanDerWaalsContact C-N 3.31Å; L599-H601 PolarHBondContact O-N 2.89Å; L599-L602 HydrophobicContact CD2-CD2 4.37Å; L599-L602 PolarHBondContact O-N 2.75Å; L599-C603 WeakPolarHBondContact O-CB 3.34Å; L599-C603 PolarHBondContact O-N 3.21Å; L599-C603 PolarHBondContact O-SG 3.37Å; L599-L619 HydrophobicContact CD2-CD1 4.36Å
600K90.6Very high90.2Very high129 Ų12964.5 Ų64.556%0.56134%0.335SS*.Hα-helixtrans-59.1-44.4177.9-179.7-176.1163.8-161.90111.6E591 Y598 D604E591-K600 WeakPolarHBondContact OE1-CD 3.42Å; E591-K600 IonicContact OE1-NZ 3.63Å; E591-K600 PolarHBondContact OE1-NZ 3.49Å; Y598-K600 VanDerWaalsContact C-N 3.31Å; Y598-K600 PolarHBondContact O-N 2.8Å; K600-D604 PolarHBondContact O-N 3.05Å
601H91.5Very high90.6Very high13 Ų1361.3 Ų61.36%0.0631%0.313CS..Hα-helixtrans-73.6-38.7178.3-71.576.1000111.5D538 P540 E591 Y598 L599 C603 D604 F608D538-H601 IonicContact OD1-CD2 3.21Å; D538-H601 IonicContact OD1-CE1 3.27Å; D538-H601 IonicContact OD1-NE2 3.54Å; D538-H601 PolarHBondContact OD1-NE2 2.76Å; D538-H601 IonicContact OD2-NE2 2.78Å; P540-H601 HydrophobicContact CB-CB 4.3Å; P540-H601 HydrophobicContact CG-CB 4.13Å; E591-H601 IonicContact OE1-CE1 3.15Å; E591-H601 IonicContact OE2-CE1 3.12Å; E591-H601 IonicContact OE2-ND1 3.61Å; E591-H601 PolarHBondContact OE2-ND1 3.37Å; Y598-H601 PolarHBondContact O-N 3.3Å; Y598-H601 VanDerWaalsContact O-N 3.16Å; L599-H601 VanDerWaalsContact C-N 3.31Å; L599-H601 PolarHBondContact O-N 2.89Å; H601-C603 VanDerWaalsContact C-N 3.28Å; H601-C603 PolarHBondContact O-N 2.97Å; H601-D604 PolarHBondContact O-N 3.07Å; H601-D604 VanDerWaalsContact O-N 3.16Å; H601-F608 HydrophobicContact CB-CE2 4.24Å; H601-F608 AromaticContact CD2-CE2 3.82Å; H601-F608 WeakPolarHBondContact O-CD2 3.45Å
602L91.7Very high90.7Very high31 Ų3164.1 Ų64.116%0.16233%0.333CS..Hα-helixtrans-62.8-34.3176.6-172.767.3000112.6P540 Y597 Y598 L599 D604 W611 I613 L619P540-L602 HydrophobicContact CB-CB 4.26Å; P540-L602 HydrophobicContact CB-CD1 4.19Å; Y597-L602 HydrophobicContact CD1-CD1 4.18Å; Y597-L602 HydrophobicContact CG-CD1 4.48Å; Y597-L602 HydrophobicContact CG-CD2 4.27Å; Y598-L602 PolarHBondContact O-N 3.49Å; L599-L602 HydrophobicContact CD2-CD2 4.37Å; L599-L602 PolarHBondContact O-N 2.75Å; L602-D604 VanDerWaalsContact C-N 3.34Å; L602-W611 HydrophobicContact CD1-CB 4.31Å; L602-I613 HydrophobicContact CD1-CD1 4.45Å; L602-I613 HydrophobicContact CD1-CG1 4.19Å; L602-I613 HydrophobicContact CD2-CD1 4.31Å; L602-L619 HydrophobicContact CD2-CD2 3.79Å
603C90.9Very high90.7Very high96 Ų9664.3 Ų64.365%0.64933%0.334SS*.THydrogen-bonded Turntrans-81.8-9.8177.2-67.50000113.7L599 H601 T605L599-C603 WeakPolarHBondContact O-CB 3.34Å; L599-C603 PolarHBondContact O-N 3.21Å; L599-C603 PolarHBondContact O-SG 3.37Å; H601-C603 VanDerWaalsContact C-N 3.28Å; H601-C603 PolarHBondContact O-N 2.97Å; C603-T605 VanDerWaalsContact C-N 3.31Å; C603-T605 PolarHBondContact O-N 3.37Å
604D90.1Very high90.5Very high49 Ų4965.5 Ų65.526%0.26234%0.344SS..  trans-79.981.9175.8-171.8-18.4000110.1K600 H601 L602 I606 R607 F608K600-D604 PolarHBondContact O-N 3.05Å; H601-D604 PolarHBondContact O-N 3.07Å; H601-D604 VanDerWaalsContact O-N 3.16Å; L602-D604 VanDerWaalsContact C-N 3.34Å; D604-I606 PolarHBondContact O-N 2.76Å; D604-I606 WeakPolarHBondContact OD1-CB 3.32Å; D604-I606 PolarHBondContact OD1-N 2.95Å; D604-I606 VanDerWaalsContact OD1-N 3.12Å; D604-R607 PolarHBondContact O-N 3.32Å; D604-R607 PolarHBondContact OD1-N 3.12Å; D604-R607 WeakPolarHBondContact OD2-CD 3.43Å; D604-R607 WeakPolarHBondContact OD2-CG 3.43Å; D604-F608 HydrophobicContact CB-CD2 4.28Å; D604-F608 PolarHBondContact O-N 2.8Å
605T89.6Confident90.5Very high104 Ų10468.8 Ų68.864%0.63836%0.359SS*.THydrogen-bonded Turntrans-69.3-8.9179.557.40000113.4C603C603-T605 VanDerWaalsContact C-N 3.31Å; C603-T605 PolarHBondContact O-N 3.37Å
606I90.7Very high90.8Very high153 Ų15371.5 Ų71.579%0.78538%0.38SS*.THydrogen-bonded Turntrans-83.7-50.3177.2-59.2172.9000109.3D604D604-I606 PolarHBondContact O-N 2.76Å; D604-I606 WeakPolarHBondContact OD1-CB 3.32Å; D604-I606 PolarHBondContact OD1-N 2.95Å; D604-I606 VanDerWaalsContact OD1-N 3.12Å
607R91.2Very high90.9Very high128 Ų12875.2 Ų75.248%0.48340%0.403SS..THydrogen-bonded Turntrans-76-36.4178.1-70.7-178.563.6-164.3-1.4112.4D538 D604 P609D538-R607 IonicContact OD2-CZ 3.37Å; D538-R607 IonicContact OD2-NH1 2.75Å; D538-R607 PolarHBondContact OD2-NH1 3.4Å; D538-R607 IonicContact OD2-NH2 3.35Å; D538-R607 PolarHBondContact OD2-NH2 3.02Å; D604-R607 PolarHBondContact O-N 3.32Å; D604-R607 PolarHBondContact OD1-N 3.12Å; D604-R607 WeakPolarHBondContact OD2-CD 3.43Å; D604-R607 WeakPolarHBondContact OD2-CG 3.43Å; R607-P609 VanDerWaalsContact C-CD 3.48Å; R607-P609 WeakPolarHBondContact O-CD 3.29Å
608F92.1Very high90.8Very high27 Ų2780 Ų8012%0.11842%0.424CS..SBendtrans-128.267.4-173.2-50.7-70.7000111.1D538 N539 P540 H601 D604 D610 W611D538-F608 WeakPolarHBondContact O-CZ 3.5Å; N539-F608 HydrophobicContact CB-CE1 4.03Å; N539-F608 HydrophobicContact CB-CZ 4.38Å; P540-F608 HydrophobicContact CG-CB 4Å; P540-F608 HydrophobicContact CG-CD1 4.25Å; P540-F608 HydrophobicContact CG-CD2 3.91Å; P540-F608 HydrophobicContact CG-CE2 4.48Å; P540-F608 HydrophobicContact CG-CG 3.77Å; H601-F608 HydrophobicContact CB-CE2 4.24Å; H601-F608 AromaticContact CD2-CE2 3.82Å; H601-F608 WeakPolarHBondContact O-CD2 3.45Å; D604-F608 HydrophobicContact CB-CD2 4.28Å; D604-F608 PolarHBondContact O-N 2.8Å; F608-D610 PolarHBondContact O-N 2.92Å; F608-W611 HydrophobicContact CB-CB 4.46Å; F608-W611 HydrophobicContact CB-CE3 3.99Å; F608-W611 AromaticContact CD1-CE3 3.95Å; F608-W611 HydrophobicContact CD1-CE3 3.95Å; F608-W611 AromaticContact CD1-CZ3 3.86Å; F608-W611 HydrophobicContact CD1-CZ3 3.86Å; F608-W611 HydrophobicContact CG-CE3 4.31Å
609P90.2Very high90.6Very high86 Ų8680.2 Ų80.256%0.55843%0.426SS*.THydrogen-bonded Turntrans-63136.2177.527.7-34.4000110.6R607 W611R607-P609 VanDerWaalsContact C-CD 3.48Å; R607-P609 WeakPolarHBondContact O-CD 3.29Å; P609-W611 VanDerWaalsContact C-N 3.26Å; P609-W611 PolarHBondContact O-N 3.29Å
610D89.1Confident90.6Very high163 Ų16383.6 Ų83.687%0.87244%0.444SS*.THydrogen-bonded Turntrans52.437.1173.8-56.9-46.3000114.7F608F608-D610 PolarHBondContact O-N 2.92Å
611W92.6Very high90.7Very high76 Ų7683.1 Ų83.129%0.28844%0.444SS..  trans-58.9126.5-179.9-165.6-85.9000111.3N539 P540 E541 Y597 L602 F608 P609 I613N539-W611 HydrophobicContact CB-CH2 3.93Å; N539-W611 HydrophobicContact CB-CZ2 4.41Å; P540-W611 HydrophobicContact CB-CD2 4.24Å; P540-W611 HydrophobicContact CB-CG 4.19Å; P540-W611 HydrophobicContact CG-CB 4.46Å; P540-W611 HydrophobicContact CG-CD2 3.71Å; P540-W611 HydrophobicContact CG-CE3 4.08Å; P540-W611 HydrophobicContact CG-CG 3.88Å; E541-W611 HydrophobicContact CG-CZ2 4.31Å; Y597-W611 AromaticContact CE1-CD1 3.95Å; Y597-W611 AromaticContact CE1-NE1 3.82Å; L602-W611 HydrophobicContact CD1-CB 4.31Å; F608-W611 HydrophobicContact CB-CB 4.46Å; F608-W611 HydrophobicContact CB-CE3 3.99Å; F608-W611 AromaticContact CD1-CE3 3.95Å; F608-W611 HydrophobicContact CD1-CE3 3.95Å; F608-W611 AromaticContact CD1-CZ3 3.86Å; F608-W611 HydrophobicContact CD1-CZ3 3.86Å; F608-W611 HydrophobicContact CG-CE3 4.31Å; P609-W611 VanDerWaalsContact C-N 3.26Å; P609-W611 PolarHBondContact O-N 3.29Å; W611-I613 PolarHBondContact O-N 3.5Å
612P91.9Very high90.5Very high89 Ų8984.1 Ų84.158%0.57845%0.452SS*.  trans-69.4128.1-174.627.2-34.1000111.3Y597Y597-P612 PolarHBondContact OH-O 2.55Å
613I90.2Very high90.5Very high76 Ų7684.1 Ų84.139%0.3945%0.454SS..  trans-97.4110.6177.4-60.1173.8000109.8Y597 L602 W611 P616 L619Y597-I613 HydrophobicContact CE2-CG2 4.06Å; L602-I613 HydrophobicContact CD1-CD1 4.45Å; L602-I613 HydrophobicContact CD1-CG1 4.19Å; L602-I613 HydrophobicContact CD2-CD1 4.31Å; W611-I613 PolarHBondContact O-N 3.5Å; I613-P616 HydrophobicContact CG2-CB 4.15Å; I613-L619 HydrophobicContact CD1-CD2 4.13Å; I613-L619 HydrophobicContact CG1-CD2 4.45Å; I613-L619 HydrophobicContact CG2-CB 4.41Å; I613-L619 HydrophobicContact CG2-CD2 3.59Å
614V86.1Confident90.5Very high63 Ų6383.5 Ų83.538%0.38244%0.444SS..SBendtrans-80.8119.2172.9-176.50000108.3Y597Y597-V614 WeakPolarHBondContact OH-CB 3.12Å; Y597-V614 WeakPolarHBondContact OH-CG2 3.17Å; Y597-V614 PolarHBondContact OH-N 2.9Å
615E88.7Confident90.4Very high69 Ų6984.8 Ų84.832%0.32245%0.453SS..SBendtrans64.365.4-178-54.7173.4122.300114.7H595 K596 V617 K618 L619H595-E615 IonicContact CE1-OE2 3.67Å; H595-E615 IonicContact NE2-OE2 2.76Å; H595-E615 PolarHBondContact NE2-OE2 3.16Å; K596-E615 WeakPolarHBondContact CE-OE2 3.33Å; K596-E615 IonicContact NZ-OE2 3.47Å; K596-E615 PolarHBondContact NZ-OE2 3.28Å; E615-V617 VanDerWaalsContact C-N 3.26Å; E615-V617 PolarHBondContact O-N 3.02Å; E615-V617 VanDerWaalsContact O-N 3.14Å; E615-K618 HydrophobicContact CB-CB 4.2Å; E615-K618 HydrophobicContact CB-CD 4.23Å; E615-K618 HydrophobicContact CB-CG 4.36Å; E615-K618 PolarHBondContact O-N 2.93Å; E615-K618 VanDerWaalsContact O-N 3.09Å; E615-K618 WeakPolarHBondContact OE1-CE 2.9Å; E615-K618 IonicContact OE1-NZ 3.05Å; E615-K618 PolarHBondContact OE1-NZ 2.78Å; E615-K618 IonicContact OE2-NZ 3.36Å; E615-L619 PolarHBondContact O-N 3.4Å; E615-L619 VanDerWaalsContact O-N 3.16Å
616P91.1Very high90.3Very high84 Ų8481.7 Ų81.755%0.54543%0.434SS..Hα-helixtrans-59.2-32.7-174.223.5-34.5000113.9I613 L619 L620I613-P616 HydrophobicContact CG2-CB 4.15Å; P616-L619 PolarHBondContact O-N 3.03Å; P616-L620 WeakPolarHBondContact O-CB 3.31Å; P616-L620 PolarHBondContact O-N 2.85Å
617V92.4Very high90.1Very high97 Ų9780.6 Ų80.659%0.58842%0.42SS*.Hα-helixtrans-66-43.3178.2-178.90000111.6E615 L620 Q621E615-V617 VanDerWaalsContact C-N 3.26Å; E615-V617 PolarHBondContact O-N 3.02Å; E615-V617 VanDerWaalsContact O-N 3.14Å; V617-L620 PolarHBondContact O-N 3.29Å; V617-Q621 WeakPolarHBondContact O-CG 3.37Å; V617-Q621 PolarHBondContact O-N 2.89Å
618K90Very high89.8Confident101 Ų10180.8 Ų80.844%0.43943%0.425SS..Hα-helixtrans-68.5-38.6178.8-70.5-174.8-177.3167.90111.2E615 Q621 S622E615-K618 HydrophobicContact CB-CB 4.2Å; E615-K618 HydrophobicContact CB-CD 4.23Å; E615-K618 HydrophobicContact CB-CG 4.36Å; E615-K618 PolarHBondContact O-N 2.93Å; E615-K618 VanDerWaalsContact O-N 3.09Å; E615-K618 WeakPolarHBondContact OE1-CE 2.9Å; E615-K618 IonicContact OE1-NZ 3.05Å; E615-K618 PolarHBondContact OE1-NZ 2.78Å; E615-K618 IonicContact OE2-NZ 3.36Å; K618-Q621 PolarHBondContact O-N 3.16Å; K618-S622 WeakPolarHBondContact O-CB 3.43Å; K618-S622 PolarHBondContact O-N 3.15Å
619L91.3Very high89.5Confident12 Ų1282.1 Ų82.16%0.06344%0.441CS..Hα-helixtrans-59.6-51.9173.4177.959.8000110.9C594 H595 Y597 L599 L602 I613 E615 P616 Q621 S622 C623C594-L619 HydrophobicContact CB-CD1 3.98Å; C594-L619 VanDerWaalsContact O-CD1 3.26Å; C594-L619 WeakPolarHBondContact O-CD1 3.17Å; H595-L619 HydrophobicContact CB-CD1 4.28Å; Y597-L619 HydrophobicContact CD2-CD1 4.01Å; Y597-L619 HydrophobicContact CD2-CD2 3.87Å; Y597-L619 HydrophobicContact CD2-CG 4.43Å; Y597-L619 HydrophobicContact CE2-CD2 4.4Å; L599-L619 HydrophobicContact CD2-CD1 4.36Å; L602-L619 HydrophobicContact CD2-CD2 3.79Å; I613-L619 HydrophobicContact CD1-CD2 4.13Å; I613-L619 HydrophobicContact CG1-CD2 4.45Å; I613-L619 HydrophobicContact CG2-CB 4.41Å; I613-L619 HydrophobicContact CG2-CD2 3.59Å; E615-L619 PolarHBondContact O-N 3.4Å; E615-L619 VanDerWaalsContact O-N 3.16Å; P616-L619 PolarHBondContact O-N 3.03Å; L619-Q621 VanDerWaalsContact C-N 3.32Å; L619-Q621 PolarHBondContact O-N 3.07Å; L619-S622 WeakPolarHBondContact O-CB 3.27Å; L619-S622 PolarHBondContact O-N 2.94Å; L619-S622 VanDerWaalsContact O-N 3.08Å; L619-C623 PolarHBondContact O-N 2.77Å; L619-C623 PolarHBondContact O-SG 3.42Å
620L91.6Very high89Confident110 Ų11082.5 Ų82.558%0.57644%0.435SS*.Hα-helixtrans-57.9-44.4179.4-179.363.5000111.9P616 V617 S622 C623 L624P616-L620 WeakPolarHBondContact O-CB 3.31Å; P616-L620 PolarHBondContact O-N 2.85Å; V617-L620 PolarHBondContact O-N 3.29Å; L620-S622 PolarHBondContact O-N 3.41Å; L620-C623 PolarHBondContact O-N 2.94Å; L620-L624 HydrophobicContact CD1-CG 4.41Å; L620-L624 HydrophobicContact CG-CD1 4.23Å; L620-L624 VanDerWaalsContact O-CG 3.31Å; L620-L624 WeakPolarHBondContact O-CG 3.36Å; L620-L624 PolarHBondContact O-N 3.14Å
621Q91.1Very high88.6Confident119 Ų11981.3 Ų81.356%0.55643%0.426SS*.Hα-helixtrans-59.2-45.4175-74.2175.1-8.100111.8V617 K618 L619 L624 V625V617-Q621 WeakPolarHBondContact O-CG 3.37Å; V617-Q621 PolarHBondContact O-N 2.89Å; K618-Q621 PolarHBondContact O-N 3.16Å; L619-Q621 VanDerWaalsContact C-N 3.32Å; L619-Q621 PolarHBondContact O-N 3.07Å; Q621-L624 PolarHBondContact O-N 3.13Å; Q621-V625 WeakPolarHBondContact O-CG2 3.46Å; Q621-V625 PolarHBondContact O-N 3.17Å
622S88.9Confident88Confident33 Ų3383.6 Ų83.623%0.23144%0.44CS..Hα-helixtrans-62-44176.5-170.80000111.5H595 K618 L619 L620 L624 V625 T626H595-S622 PolarHBondContact N-OG 2.85Å; K618-S622 WeakPolarHBondContact O-CB 3.43Å; K618-S622 PolarHBondContact O-N 3.15Å; L619-S622 WeakPolarHBondContact O-CB 3.27Å; L619-S622 PolarHBondContact O-N 2.94Å; L619-S622 VanDerWaalsContact O-N 3.08Å; L620-S622 PolarHBondContact O-N 3.41Å; S622-L624 PolarHBondContact O-N 3.13Å; S622-V625 PolarHBondContact O-N 3.45Å; S622-T626 WeakPolarHBondContact O-CB 3.47Å; S622-T626 PolarHBondContact O-N 3.21Å; S622-T626 PolarHBondContact O-OG1 3.39Å; S622-T626 VanDerWaalsContact O-OG1 3.07Å
623C90.9Very high87.3Confident31 Ų3184.9 Ų84.921%0.20943%0.433CS..Hα-helixtrans-61.2-44.1177.6-66.10000111.5L619 L620 V625 T626 W627L619-C623 PolarHBondContact O-N 2.77Å; L619-C623 PolarHBondContact O-SG 3.42Å; L620-C623 PolarHBondContact O-N 2.94Å; C623-V625 PolarHBondContact O-N 2.91Å; C623-T626 PolarHBondContact O-N 3.37Å; C623-W627 WeakPolarHBondContact O-CB 3.38Å; C623-W627 PolarHBondContact O-N 3.07Å
624L90.8Very high86.3Confident83 Ų8389.9 Ų89.944%0.43545%0.452SS..Hα-helixtrans-63.6-40.1177.5-70.6173.1000112L620 Q621 S622 W627 K628L620-L624 HydrophobicContact CD1-CG 4.41Å; L620-L624 HydrophobicContact CG-CD1 4.23Å; L620-L624 VanDerWaalsContact O-CG 3.31Å; L620-L624 WeakPolarHBondContact O-CG 3.36Å; L620-L624 PolarHBondContact O-N 3.14Å; Q621-L624 PolarHBondContact O-N 3.13Å; S622-L624 PolarHBondContact O-N 3.13Å; L624-W627 HydrophobicContact CD2-CE3 3.99Å; L624-W627 HydrophobicContact CD2-CZ3 4.27Å; L624-K628 WeakPolarHBondContact O-CB 3.33Å; L624-K628 PolarHBondContact O-N 3.32Å
625V88.3Confident85.6Confident77 Ų7792.6 Ų92.647%0.46747%0.465SS..Hα-helixtrans-65.8-46.9176.2170.80000111Q621 S622 C623 K628 A629Q621-V625 WeakPolarHBondContact O-CG2 3.46Å; Q621-V625 PolarHBondContact O-N 3.17Å; S622-V625 PolarHBondContact O-N 3.45Å; C623-V625 PolarHBondContact O-N 2.91Å; V625-K628 PolarHBondContact O-N 3.38Å; V625-A629 PolarHBondContact O-N 2.92Å
626T87.1Confident84.6Confident38 Ų3894.6 Ų94.623%0.23348%0.483CS..Hα-helixtrans-65.9-39.8178.4-57.60000111.3L592 C594 S622 C623 A629 Q630L592-T626 HydrophobicContact CD1-CG2 3.83Å; L592-T626 HydrophobicContact CD2-CG2 3.77Å; L592-T626 HydrophobicContact CG-CG2 3.99Å; C594-T626 PolarHBondContact SG-OG1 2.92Å; S622-T626 WeakPolarHBondContact O-CB 3.47Å; S622-T626 PolarHBondContact O-N 3.21Å; S622-T626 PolarHBondContact O-OG1 3.39Å; S622-T626 VanDerWaalsContact O-OG1 3.07Å; C623-T626 PolarHBondContact O-N 3.37Å; T626-A629 PolarHBondContact O-N 3.28Å; T626-Q630 WeakPolarHBondContact O-CB 3.32Å; T626-Q630 PolarHBondContact O-N 3.3Å
627W86.5Confident83.6Confident130 Ų13097 Ų9749%0.49249%0.491SS..Hα-helixtrans-61.4-46.7174.7178.238.8000111.4C623 L624 A629 Q630 M631C623-W627 WeakPolarHBondContact O-CB 3.38Å; C623-W627 PolarHBondContact O-N 3.07Å; L624-W627 HydrophobicContact CD2-CE3 3.99Å; L624-W627 HydrophobicContact CD2-CZ3 4.27Å; W627-A629 VanDerWaalsContact C-N 3.34Å; W627-A629 PolarHBondContact O-N 3.41Å; W627-Q630 PolarHBondContact O-N 3.16Å; W627-Q630 VanDerWaalsContact O-N 3.14Å; W627-M631 WeakPolarHBondContact O-CG 3.35Å; W627-M631 PolarHBondContact O-N 2.76Å
628K86Confident82.8Confident132 Ų13296.5 Ų96.557%0.57448%0.483SS*.Hα-helixtrans-57.4-46.2174.4-175.8178.1177.3178.40111.8L624 V625 Q630 M631 E632L624-K628 WeakPolarHBondContact O-CB 3.33Å; L624-K628 PolarHBondContact O-N 3.32Å; V625-K628 PolarHBondContact O-N 3.38Å; K628-Q630 VanDerWaalsContact C-N 3.29Å; K628-Q630 PolarHBondContact O-N 3.27Å; K628-M631 PolarHBondContact O-N 2.88Å; K628-E632 WeakPolarHBondContact CE-OE1 3.17Å; K628-E632 WeakPolarHBondContact O-CG 3.37Å; K628-E632 PolarHBondContact O-N 3.29Å; K628-E632 VanDerWaalsContact O-N 3.13Å
629A84.3Confident82.3Confident55 Ų5595 Ų9546%0.45548%0.483SS..Hα-helixtrans-62.5-36177.500000112.5V625 T626 W627 E632V625-A629 PolarHBondContact O-N 2.92Å; T626-A629 PolarHBondContact O-N 3.28Å; W627-A629 VanDerWaalsContact C-N 3.34Å; W627-A629 PolarHBondContact O-N 3.41Å; A629-E632 PolarHBondContact O-N 3.18Å
630Q80.7Confident81.6Confident95 Ų9597.2 Ų97.244%0.44450%0.497SS..Hα-helixtrans-70-34.4176.6-167.266.53.200112.2T626 W627 K628 E632 R633T626-Q630 WeakPolarHBondContact O-CB 3.32Å; T626-Q630 PolarHBondContact O-N 3.3Å; W627-Q630 PolarHBondContact O-N 3.16Å; W627-Q630 VanDerWaalsContact O-N 3.14Å; K628-Q630 VanDerWaalsContact C-N 3.29Å; K628-Q630 PolarHBondContact O-N 3.27Å; Q630-E632 VanDerWaalsContact C-N 3.34Å; Q630-R633 WeakPolarHBondContact O-CB 3.46Å; Q630-R633 PolarHBondContact O-N 3.21Å
631M79.4Confident80.9Confident137 Ų13798.1 Ų98.168%0.67550%0.498SS*.Hα-helixtrans-69.1-30174.4-69.3-60.1-58.200112.9W627 K628 R633W627-M631 WeakPolarHBondContact O-CG 3.35Å; W627-M631 PolarHBondContact O-N 2.76Å; K628-M631 PolarHBondContact O-N 2.88Å; M631-R633 PolarHBondContact O-N 2.78Å
632E81.5Confident80.4Confident124 Ų12497.2 Ų97.258%0.57949%0.494SS*.THydrogen-bonded Turntrans-79.4-3.8177.9-70.8173.8-176.700113.3K628 A629 Q630 K634K628-E632 WeakPolarHBondContact CE-OE1 3.17Å; K628-E632 WeakPolarHBondContact O-CG 3.37Å; K628-E632 PolarHBondContact O-N 3.29Å; K628-E632 VanDerWaalsContact O-N 3.13Å; A629-E632 PolarHBondContact O-N 3.18Å; Q630-E632 VanDerWaalsContact C-N 3.34Å; E632-K634 PolarHBondContact O-N 3.04Å
633R75.9Confident79.9Confident117 Ų11796.8 Ų96.844%0.44249%0.492SS..  trans-73.2117.7-177.5-136.9-178.184.8126.115.7110.4Q630 M631 D635Q630-R633 WeakPolarHBondContact O-CB 3.46Å; Q630-R633 PolarHBondContact O-N 3.21Å; M631-R633 PolarHBondContact O-N 2.78Å; R633-D635 VanDerWaalsContact C-N 3.34Å; R633-D635 PolarHBondContact NE-O 3.49Å; R633-D635 PolarHBondContact NH2-O 3.19Å; R633-D635 PolarHBondContact O-N 3.25Å
634K70.9Confident79.3Confident180 Ų18095.4 Ų95.478%0.78348%0.483SS*.SBendtrans-68.5-27.8-174.5-65-172.8178.4-176.90114.6E632 P636E632-K634 PolarHBondContact O-N 3.04Å; K634-P636 VanDerWaalsContact O-CD 3.29Å; K634-P636 WeakPolarHBondContact O-CD 3.48Å
635D70.2Confident78.8Confident121 Ų12197.3 Ų97.365%0.64749%0.493SS*.SBendtrans-105.1102.5-177.3-57.9-43.8000110.2R633R633-D635 VanDerWaalsContact C-N 3.34Å; R633-D635 PolarHBondContact NE-O 3.49Å; R633-D635 PolarHBondContact NH2-O 3.19Å; R633-D635 PolarHBondContact O-N 3.25Å
636P67.9Low78.4Confident110 Ų11098.7 Ų98.771%0.71450%0.501SS*.  trans-65.2134.9173.425.1-31000110.1K634 M638K634-P636 VanDerWaalsContact O-CD 3.29Å; K634-P636 WeakPolarHBondContact O-CD 3.48Å; P636-M638 PolarHBondContact O-N 3.42Å
637L69.1Low78Confident134 Ų134102.3 Ų102.370%0.70252%0.519SS*.SBendtrans-72.1-18.5-179.8-72.3165.8000113.3
638M75.7Confident77.8Confident87 Ų87104.8 Ų104.843%0.42954%0.536SS..SBendtrans-147.4155.3-173.264-176.768.500110.2P636 Q642 A643P636-M638 PolarHBondContact O-N 3.42Å; M638-Q642 HydrophobicContact CB-CB 4.07Å; M638-A643 HydrophobicContact CG-CB 4.13Å; M638-A643 HydrophobicContact SD-CB 3.76Å
639T79.5Confident77.7Confident71 Ų71100.8 Ų100.844%0.43652%0.52SS..  trans-71.3160.9173.164.60000110.5E641 Q642 A643T639-E641 PolarHBondContact O-N 3.41Å; T639-Q642 VanDerWaalsContact N-OE1 3.1Å; T639-Q642 PolarHBondContact O-N 3.46Å; T639-Q642 WeakPolarHBondContact OG1-CG 3.29Å; T639-Q642 PolarHBondContact OG1-N 2.8Å; T639-A643 PolarHBondContact O-N 3.19Å
640V77Confident77.7Confident58 Ų58101.9 Ų101.935%0.35252%0.522SS..Hα-helixtrans-59.5-38.71781780000111.4A643 C644 Y651 W654V640-A643 WeakPolarHBondContact O-CB 3.34Å; V640-A643 PolarHBondContact O-N 3.12Å; V640-C644 PolarHBondContact O-N 3.38Å; V640-C644 PolarHBondContact O-SG 3.39Å; V640-Y651 HydrophobicContact CB-CE2 4.33Å; V640-Y651 HydrophobicContact CG1-CD2 4.12Å; V640-Y651 HydrophobicContact CG1-CE2 3.68Å; V640-W654 HydrophobicContact CG1-CD2 3.59Å; V640-W654 VanDerWaalsContact CG1-CE2 3.49Å; V640-W654 HydrophobicContact CG1-CE3 3.65Å; V640-W654 HydrophobicContact CG1-CG 4.37Å; V640-W654 HydrophobicContact CG1-CH2 3.6Å; V640-W654 HydrophobicContact CG1-CZ2 3.5Å; V640-W654 HydrophobicContact CG1-CZ3 3.66Å; V640-W654 HydrophobicContact CG2-CH2 4.19Å; V640-W654 HydrophobicContact CG2-CZ2 4.14Å
641E78.2Confident77.6Confident129 Ų129102.8 Ų102.860%0.60352%0.521SS*.Hα-helixtrans-60.5-49.2176.9-66.3158.8177.200111.1T639 A643 C644 D645 Y651T639-E641 PolarHBondContact O-N 3.41Å; E641-A643 VanDerWaalsContact C-N 3.27Å; E641-A643 PolarHBondContact O-N 2.99Å; E641-C644 WeakPolarHBondContact O-CB 3.14Å; E641-C644 PolarHBondContact O-N 2.93Å; E641-C644 VanDerWaalsContact O-N 3.11Å; E641-D645 PolarHBondContact O-N 3.47Å; E641-Y651 HydrophobicContact CG-CD2 4.46Å
642Q79.9Confident77.7Confident100 Ų100102.1 Ų102.147%0.46752%0.521SS..Hα-helixtrans-60.6-37.7175.2-72172.2-19.300112.1M638 T639 D645 V646M638-Q642 HydrophobicContact CB-CB 4.07Å; T639-Q642 VanDerWaalsContact N-OE1 3.1Å; T639-Q642 PolarHBondContact O-N 3.46Å; T639-Q642 WeakPolarHBondContact OG1-CG 3.29Å; T639-Q642 PolarHBondContact OG1-N 2.8Å; Q642-D645 PolarHBondContact O-N 2.98Å; Q642-V646 VanDerWaalsContact O-CG2 3.29Å; Q642-V646 WeakPolarHBondContact O-CG2 3.48Å; Q642-V646 PolarHBondContact O-N 2.69Å
643A77.4Confident77.6Confident23 Ų23100 Ų10019%0.1951%0.514CS..Hα-helixtrans-66.6-39.217600000111.9M638 T639 V640 E641 V646 L647M638-A643 HydrophobicContact CG-CB 4.13Å; M638-A643 HydrophobicContact SD-CB 3.76Å; T639-A643 PolarHBondContact O-N 3.19Å; V640-A643 WeakPolarHBondContact O-CB 3.34Å; V640-A643 PolarHBondContact O-N 3.12Å; E641-A643 VanDerWaalsContact C-N 3.27Å; E641-A643 PolarHBondContact O-N 2.99Å; A643-V646 PolarHBondContact O-N 3.46Å; A643-L647 WeakPolarHBondContact O-CB 3.33Å; A643-L647 VanDerWaalsContact O-CG 3.25Å; A643-L647 WeakPolarHBondContact O-CG 2.98Å; A643-L647 PolarHBondContact O-N 3.4Å
644C79.6Confident77.6Confident3 Ų398 Ų982%0.0251%0.506CS..Hα-helixtrans-63-43.7175-65.80000110.9V640 E641 V646 L647 E648 I649 W654V640-C644 PolarHBondContact O-N 3.38Å; V640-C644 PolarHBondContact O-SG 3.39Å; E641-C644 WeakPolarHBondContact O-CB 3.14Å; E641-C644 PolarHBondContact O-N 2.93Å; E641-C644 VanDerWaalsContact O-N 3.11Å; C644-V646 PolarHBondContact O-N 2.75Å; C644-L647 CarbonylContact O-C 3.51Å; C644-L647 PolarHBondContact O-N 3.48Å; C644-E648 PolarHBondContact O-N 2.75Å; C644-I649 CarbonylContact C-O 3.35Å; C644-I649 HydrophobicContact CB-CG1 4.15Å; C644-I649 WeakPolarHBondContact CB-O 3.44Å; C644-I649 PolarHBondContact O-N 2.93Å; C644-W654 WeakPolarHBondContact SG-CB 3.44Å
645D80.5Confident77.8Confident123 Ų12394.5 Ų94.566%0.65849%0.491SS*.Hα-helixtrans-60.1-45.1176.1-67.3-21.4000111.7E641 Q642 L647 E648E641-D645 PolarHBondContact O-N 3.47Å; Q642-D645 PolarHBondContact O-N 2.98Å; D645-L647 VanDerWaalsContact C-N 3.35Å; D645-L647 PolarHBondContact O-N 3.47Å; D645-E648 PolarHBondContact O-N 3.31Å
646V79.4Confident78.2Confident105 Ų10596.6 Ų96.664%0.63649%0.491SS*.Hα-helixtrans-66.8-35.6178.5170.90000112.2Q642 A643 C644 E648Q642-V646 VanDerWaalsContact O-CG2 3.29Å; Q642-V646 WeakPolarHBondContact O-CG2 3.48Å; Q642-V646 PolarHBondContact O-N 2.69Å; A643-V646 PolarHBondContact O-N 3.46Å; C644-V646 PolarHBondContact O-N 2.75Å; V646-E648 PolarHBondContact O-N 3.32Å
647L79.4Confident78.4Confident114 Ų11494.9 Ų94.960%0.59748%0.475SS*.THydrogen-bonded Turntrans-81.8-1.2177.5-69.1171.8000112.9A643 C644 D645 I649A643-L647 WeakPolarHBondContact O-CB 3.33Å; A643-L647 VanDerWaalsContact O-CG 3.25Å; A643-L647 WeakPolarHBondContact O-CG 2.98Å; A643-L647 PolarHBondContact O-N 3.4Å; C644-L647 CarbonylContact O-C 3.51Å; C644-L647 PolarHBondContact O-N 3.48Å; D645-L647 VanDerWaalsContact C-N 3.35Å; D645-L647 PolarHBondContact O-N 3.47Å; L647-I649 HydrophobicContact CB-CD1 4.02Å; L647-I649 HydrophobicContact CB-CG1 3.89Å; L647-I649 HydrophobicContact CD1-CD1 4.05Å; L647-I649 PolarHBondContact O-N 3.2Å
648E82.3Confident78.5Confident183 Ų18391.3 Ų91.386%0.85546%0.458SS*.THydrogen-bonded Turntrans53.534.1-176-58.2-177.2172.700113.3C644 D645 V646C644-E648 PolarHBondContact O-N 2.75Å; D645-E648 PolarHBondContact O-N 3.31Å; V646-E648 PolarHBondContact O-N 3.32Å
649I83.7Confident78Confident48 Ų4892.1 Ų92.125%0.24646%0.463CS..  trans-113.3149.3176.760.4-179.1000110.3C644 L647 D653 W654C644-I649 CarbonylContact C-O 3.35Å; C644-I649 HydrophobicContact CB-CG1 4.15Å; C644-I649 WeakPolarHBondContact CB-O 3.44Å; C644-I649 PolarHBondContact O-N 2.93Å; L647-I649 HydrophobicContact CB-CD1 4.02Å; L647-I649 HydrophobicContact CB-CG1 3.89Å; L647-I649 HydrophobicContact CD1-CD1 4.05Å; L647-I649 PolarHBondContact O-N 3.2Å; I649-D653 HydrophobicContact CB-CB 4.44Å; I649-W654 HydrophobicContact CD1-CB 3.86Å; I649-W654 HydrophobicContact CD1-CG 4.46Å; I649-W654 HydrophobicContact CG1-CB 4.46Å
650T82.8Confident77.3Confident78 Ų7891.3 Ų91.348%0.47946%0.458SS..  trans-73.9154.2172.572.80000110.6D652 D653 W654T650-D652 PolarHBondContact O-N 3.47Å; T650-D653 WeakPolarHBondContact CB-OD2 3.35Å; T650-D653 PolarHBondContact N-OD2 3.4Å; T650-D653 WeakPolarHBondContact O-CB 3.21Å; T650-D653 PolarHBondContact O-N 2.84Å; T650-D653 VanDerWaalsContact O-N 3.1Å; T650-D653 PolarHBondContact OG1-N 2.96Å; T650-D653 PolarHBondContact OG1-OD2 3.01Å; T650-W654 PolarHBondContact O-N 3.48Å
651Y79.7Confident76.5Confident113 Ų11393.2 Ų93.244%0.44346%0.463SS..Hα-helixtrans-58.5-33.3176.4-175.7-97.7000112.5V640 E641 W654 K655V640-Y651 HydrophobicContact CB-CE2 4.33Å; V640-Y651 HydrophobicContact CG1-CD2 4.12Å; V640-Y651 HydrophobicContact CG1-CE2 3.68Å; E641-Y651 HydrophobicContact CG-CD2 4.46Å; Y651-W654 HydrophobicContact CD2-CE3 4.34Å; Y651-W654 HydrophobicContact CE2-CE3 4.02Å; Y651-W654 HydrophobicContact CE2-CZ3 4.1Å; Y651-W654 PolarHBondContact O-N 2.98Å; Y651-K655 WeakPolarHBondContact O-CB 3.25Å; Y651-K655 PolarHBondContact O-N 2.88Å
652D81.1Confident75.4Confident123 Ų12389.6 Ų89.666%0.65846%0.455SS*.Hα-helixtrans-68.8-40.5175.6-73.3-34.4000111.9T650 K655 Y656T650-D652 PolarHBondContact O-N 3.47Å; D652-K655 PolarHBondContact O-N 3.11Å; D652-Y656 WeakPolarHBondContact O-CB 3.33Å; D652-Y656 PolarHBondContact O-N 3.23Å
653D79.4Confident74Confident81 Ų8189.8 Ų89.843%0.43346%0.463SS..Hα-helixtrans-62.6-44.8173.3-64.3-41.4000111I649 T650 K655 Y656 I657I649-D653 HydrophobicContact CB-CB 4.44Å; T650-D653 WeakPolarHBondContact CB-OD2 3.35Å; T650-D653 PolarHBondContact N-OD2 3.4Å; T650-D653 WeakPolarHBondContact O-CB 3.21Å; T650-D653 PolarHBondContact O-N 2.84Å; T650-D653 VanDerWaalsContact O-N 3.1Å; T650-D653 PolarHBondContact OG1-N 2.96Å; T650-D653 PolarHBondContact OG1-OD2 3.01Å; D653-K655 VanDerWaalsContact C-N 3.33Å; D653-K655 PolarHBondContact O-N 3.28Å; D653-Y656 PolarHBondContact O-N 3.49Å; D653-I657 WeakPolarHBondContact O-CB 3.29Å; D653-I657 WeakPolarHBondContact O-CG1 3.29Å; D653-I657 PolarHBondContact O-N 3.13Å
654W75.7Confident72.5Confident73 Ų7392.6 Ų92.628%0.27748%0.475SS..Hα-helixtrans-57.1-47.4175.4173.585.3000111.3V640 C644 I649 T650 Y651 Y656 I657 V658V640-W654 HydrophobicContact CG1-CD2 3.59Å; V640-W654 VanDerWaalsContact CG1-CE2 3.49Å; V640-W654 HydrophobicContact CG1-CE3 3.65Å; V640-W654 HydrophobicContact CG1-CG 4.37Å; V640-W654 HydrophobicContact CG1-CH2 3.6Å; V640-W654 HydrophobicContact CG1-CZ2 3.5Å; V640-W654 HydrophobicContact CG1-CZ3 3.66Å; V640-W654 HydrophobicContact CG2-CH2 4.19Å; V640-W654 HydrophobicContact CG2-CZ2 4.14Å; C644-W654 WeakPolarHBondContact SG-CB 3.44Å; I649-W654 HydrophobicContact CD1-CB 3.86Å; I649-W654 HydrophobicContact CD1-CG 4.46Å; I649-W654 HydrophobicContact CG1-CB 4.46Å; T650-W654 PolarHBondContact O-N 3.48Å; Y651-W654 HydrophobicContact CD2-CE3 4.34Å; Y651-W654 HydrophobicContact CE2-CE3 4.02Å; Y651-W654 HydrophobicContact CE2-CZ3 4.1Å; Y651-W654 PolarHBondContact O-N 2.98Å; W654-Y656 VanDerWaalsContact C-N 3.33Å; W654-Y656 PolarHBondContact O-N 2.96Å; W654-I657 PolarHBondContact O-N 3.25Å; W654-V658 HydrophobicContact CD2-CG2 4.05Å; W654-V658 HydrophobicContact CG-CG2 4.38Å; W654-V658 HydrophobicContact CH2-CG2 4.49Å; W654-V658 HydrophobicContact CZ2-CG2 3.82Å; W654-V658 WeakPolarHBondContact O-CB 3.33Å; W654-V658 WeakPolarHBondContact O-CG2 3.47Å; W654-V658 PolarHBondContact O-N 3.34Å
655K76.5Confident70.8Confident108 Ų10896.2 Ų96.247%0.4749%0.494SS..Hα-helixtrans-62.4-41.4179.3-168.5177.1-178.2-179.50111.3Y651 D652 D653 I659Y651-K655 WeakPolarHBondContact O-CB 3.25Å; Y651-K655 PolarHBondContact O-N 2.88Å; D652-K655 PolarHBondContact O-N 3.11Å; D653-K655 VanDerWaalsContact C-N 3.33Å; D653-K655 PolarHBondContact O-N 3.28Å; K655-I659 HydrophobicContact CG-CD1 3.92Å; K655-I659 WeakPolarHBondContact O-CB 3.47Å; K655-I659 WeakPolarHBondContact O-CD1 3.21Å; K655-I659 WeakPolarHBondContact O-CG1 3.32Å; K655-I659 PolarHBondContact O-N 3.02Å
656Y78.1Confident69Low165 Ų16596.3 Ų96.365%0.64749%0.49SS*.Hα-helixtrans-63.4-46.5174.8-176.9-96.7000112D652 D653 W654 I659 T660D652-Y656 WeakPolarHBondContact O-CB 3.33Å; D652-Y656 PolarHBondContact O-N 3.23Å; D653-Y656 PolarHBondContact O-N 3.49Å; W654-Y656 VanDerWaalsContact C-N 3.33Å; W654-Y656 PolarHBondContact O-N 2.96Å; Y656-I659 PolarHBondContact O-N 3.34Å; Y656-T660 WeakPolarHBondContact O-CB 3.49Å; Y656-T660 PolarHBondContact O-N 3.2Å; Y656-T660 PolarHBondContact O-OG1 3.42Å
657I72.2Confident67.3Low73 Ų73100.7 Ų100.737%0.37450%0.497SS..Hα-helixtrans-60.8-48.7178.2-69.7164000110.3D653 W654 T660 H661D653-I657 WeakPolarHBondContact O-CB 3.29Å; D653-I657 WeakPolarHBondContact O-CG1 3.29Å; D653-I657 PolarHBondContact O-N 3.13Å; W654-I657 PolarHBondContact O-N 3.25Å; I657-T660 PolarHBondContact O-N 3.24Å; I657-H661 WeakPolarHBondContact O-CB 3.46Å; I657-H661 PolarHBondContact O-N 2.82Å; I657-H661 PolarHBondContact O-ND1 3.24Å
658V70.1Confident65.4Low59 Ų59103.7 Ų103.736%0.35850%0.501SS..Hα-helixtrans-64-43.1-180172.60000111.1W654 T660 A662W654-V658 HydrophobicContact CD2-CG2 4.05Å; W654-V658 HydrophobicContact CG-CG2 4.38Å; W654-V658 HydrophobicContact CH2-CG2 4.49Å; W654-V658 HydrophobicContact CZ2-CG2 3.82Å; W654-V658 WeakPolarHBondContact O-CB 3.33Å; W654-V658 WeakPolarHBondContact O-CG2 3.47Å; W654-V658 PolarHBondContact O-N 3.34Å; V658-T660 VanDerWaalsContact C-N 3.34Å; V658-T660 PolarHBondContact O-N 2.68Å; V658-A662 WeakPolarHBondContact O-CA 3.42Å; V658-A662 WeakPolarHBondContact O-CB 3.41Å; V658-A662 PolarHBondContact O-N 3.42Å
659I66Low63.4Low104 Ų104100.8 Ų100.853%0.53349%0.486SS..Hα-helixtrans-63.3-42.9177-69.1167000110.7K655 Y656 V663K655-I659 HydrophobicContact CG-CD1 3.92Å; K655-I659 WeakPolarHBondContact O-CB 3.47Å; K655-I659 WeakPolarHBondContact O-CD1 3.21Å; K655-I659 WeakPolarHBondContact O-CG1 3.32Å; K655-I659 PolarHBondContact O-N 3.02Å; Y656-I659 PolarHBondContact O-N 3.34Å; I659-V663 VanDerWaalsContact O-CG2 3.29Å; I659-V663 WeakPolarHBondContact O-CG2 3.17Å
660T64.3Low61.1Low54 Ų54103.4 Ų103.433%0.33151%0.506SS..Hα-helixtrans-73.4-38.6-177.8-46.30000112Y656 I657 V658 N664Y656-T660 WeakPolarHBondContact O-CB 3.49Å; Y656-T660 PolarHBondContact O-N 3.2Å; Y656-T660 PolarHBondContact O-OG1 3.42Å; I657-T660 PolarHBondContact O-N 3.24Å; V658-T660 VanDerWaalsContact C-N 3.34Å; V658-T660 PolarHBondContact O-N 2.68Å; T660-N664 PolarHBondContact O-ND2 3.24Å
661H60.3Low59Low98 Ų98106 Ų10645%0.45452%0.516SS..Hα-helixtrans-87.6-28.9-177.7-7668.3000113.3I657 V663 N664 L665I657-H661 WeakPolarHBondContact O-CB 3.46Å; I657-H661 PolarHBondContact O-N 2.82Å; I657-H661 PolarHBondContact O-ND1 3.24Å; H661-V663 PolarHBondContact O-N 3.26Å; H661-N664 CarbonylContact O-C 3.55Å; H661-N664 PolarHBondContact O-N 2.93Å; H661-L665 HydrophobicContact CB-CD1 4.32Å; H661-L665 WeakPolarHBondContact O-CB 3.39Å; H661-L665 PolarHBondContact O-N 3.1Å
662A56.2Low56.9Low53 Ų53109.8 Ų109.844%0.43854%0.538SS..Hα-helixtrans-59.7-36.2171.800000110.6V658 N664 H666V658-A662 WeakPolarHBondContact O-CA 3.42Å; V658-A662 WeakPolarHBondContact O-CB 3.41Å; V658-A662 PolarHBondContact O-N 3.42Å; A662-N664 VanDerWaalsContact C-N 3.33Å; A662-N664 PolarHBondContact O-N 3.48Å; A662-H666 WeakPolarHBondContact O-CB 3.43Å; A662-H666 PolarHBondContact O-N 3.03Å
663V49Very low54.6Low105 Ų105107.6 Ų107.664%0.63655%0.545SS*.Hα-helixtrans-62.4-38.1172.1175.80000111.7I659 H661I659-V663 VanDerWaalsContact O-CG2 3.29Å; I659-V663 WeakPolarHBondContact O-CG2 3.17Å; H661-V663 PolarHBondContact O-N 3.26Å
664N46.5Very low52.3Low81 Ų81111.8 Ų111.843%0.43356%0.562SS.*Hα-helixtrans-83.1-38179.6-73.7-31.8000113.9T660 H661 A662 H666 Y667 Y668T660-N664 PolarHBondContact O-ND2 3.24Å; H661-N664 CarbonylContact O-C 3.55Å; H661-N664 PolarHBondContact O-N 2.93Å; A662-N664 VanDerWaalsContact C-N 3.33Å; A662-N664 PolarHBondContact O-N 3.48Å; N664-H666 VanDerWaalsContact C-N 3.34Å; N664-H666 PolarHBondContact O-N 2.96Å; N664-Y667 WeakPolarHBondContact O-CA 3.46Å; N664-Y667 WeakPolarHBondContact O-CB 3.42Å; N664-Y667 PolarHBondContact O-N 3.43Å; N664-Y668 WeakPolarHBondContact O-CD2 3.48Å; N664-Y668 PolarHBondContact O-N 2.94Å
665L43.1Very low50.1Low79 Ų79113.8 Ų113.841%0.41459%0.587SS.*Hα-helixtrans-67.2-35.1-179.9-93.8149.6000111.1H661 Y667 Y668 F669H661-L665 HydrophobicContact CB-CD1 4.32Å; H661-L665 WeakPolarHBondContact O-CB 3.39Å; H661-L665 PolarHBondContact O-N 3.1Å; L665-Y667 PolarHBondContact O-N 3.42Å; L665-Y668 PolarHBondContact O-N 3.34Å; L665-F669 HydrophobicContact CD2-CD2 3.96Å; L665-F669 PolarHBondContact O-N 2.98Å
666H44.2Very low48.1Very low126 Ų126119.7 Ų119.758%0.58362%0.621SS**Hα-helixtrans-64.2-24.1172.7-13931.6000112.5A662 N664A662-H666 WeakPolarHBondContact O-CB 3.43Å; A662-H666 PolarHBondContact O-N 3.03Å; N664-H666 VanDerWaalsContact C-N 3.34Å; N664-H666 PolarHBondContact O-N 2.96Å
667Y43.1Very low46.6Very low196 Ų196117.5 Ų117.577%0.76962%0.62SS**Hα-helixtrans-76.8-33.4175.1-144.3-87.8000113N664 L665N664-Y667 WeakPolarHBondContact O-CA 3.46Å; N664-Y667 WeakPolarHBondContact O-CB 3.42Å; N664-Y667 PolarHBondContact O-N 3.43Å; L665-Y667 PolarHBondContact O-N 3.42Å
668Y39.2Very low45.2Very low178 Ų178119.8 Ų119.870%0.69863%0.633SS**Hα-helixtrans-99.3-23.2-177.5-72.8-76.9000114.4N664 L665N664-Y668 WeakPolarHBondContact O-CD2 3.48Å; N664-Y668 PolarHBondContact O-N 2.94Å; L665-Y668 PolarHBondContact O-N 3.34Å
669F40.5Very low43.8Very low122 Ų122123.2 Ų123.254%0.53565%0.648SS.*SBendtrans-141.188.1-178.9-62.6-83000109.7L665 L671L665-F669 HydrophobicContact CD2-CD2 3.96Å; L665-F669 PolarHBondContact O-N 2.98Å; F669-L671 PolarHBondContact O-N 3.19Å
670P35.5Very low42.5Very low102 Ų102124.3 Ų124.366%0.66266%0.655SS**  trans-67.1103175.515.2-11.3000108.8E672P670-E672 PolarHBondContact O-N 3.38Å; P670-E672 VanDerWaalsContact O-N 3.15Å
671L39Very low41.2Very low132 Ų132128.7 Ų128.769%0.69168%0.675SS**  trans-70.8101.3166.7-74165.9000107.3F669 G673F669-L671 PolarHBondContact O-N 3.19Å; L671-G673 PolarHBondContact O-N 2.65Å; L671-G673 VanDerWaalsContact O-N 3.07Å
672E34.2Very low39.9Very low194 Ų194130.7 Ų130.791%0.90769%0.69SS**  trans-64.8106.5169.6-76.2-175.1161.100109.4P670P670-E672 PolarHBondContact O-N 3.38Å; P670-E672 VanDerWaalsContact O-N 3.15Å
673G34.3Very low38.7Very low77 Ų77136.3 Ų136.379%0.79471%0.708SS**SBendtrans9116.1146.200000119.1L671L671-G673 PolarHBondContact O-N 2.65Å; L671-G673 VanDerWaalsContact O-N 3.07Å
674Q29.9Very low37.9Very low169 Ų169138.7 Ų138.779%0.7971%0.713SS**  trans-115.3106.3166.7-72.1-172.3-1.200110.9I676Q674-I676 PolarHBondContact O-N 3.39Å
675S30.8Very low37.2Very low115 Ų115143.5 Ų143.580%0.80474%0.736SS**  trans-59.1126.816351.40000109
676I32.9Very low36.7Very low232 Ų232149.4 Ų149.4100%1.1977%0.766SS**  trans-48.60155.6-54.1169.1000108.2Q674Q674-I676 PolarHBondContact O-N 3.39Å

Retrieved 676 of 676 residues in 608.6 ms (Link to these results)

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