A0A077ZFQ1_TRITR Loading...

Acetyltransf 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFQ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 206 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
1M93.9Very high96.4Very high76 Ų7661.2 Ų61.237%0.37430%0.304SS..  0129.30-72.7-57.2-162.400106.5L48 I49 H50 V57 R88 F91M1-L48 HydrophobicContact CB-CD1 4.15Å; M1-I49 WeakPolarHBondContact CA-O 3.43Å; M1-H50 HydrophobicContact SD-CB 4.03Å; M1-V57 HydrophobicContact CE-CG1 4.1Å; M1-V57 HydrophobicContact CE-CG2 4.03Å; M1-V57 HydrophobicContact SD-CG2 4.05Å; M1-R88 HydrophobicContact CE-CG 3.95Å; M1-R88 VanDerWaalsContact CE-CZ 3.44Å; M1-F91 HydrophobicContact CB-CD1 4.13Å; M1-F91 HydrophobicContact CB-CE1 3.64Å; M1-F91 HydrophobicContact CB-CZ 3.85Å
2E96.1Very high96.4Very high93 Ų9358.1 Ų58.144%0.43529%0.287SS..EExtended strand (participates in β ladder)trans-132.4140.4-176.5-68.7170.2-14900110.3H4 L48 I49 S51E2-H4 WeakPolarHBondContact CB-NE2 3.4Å; E2-H4 IonicContact OE2-CD2 2.73Å; E2-H4 IonicContact OE2-CE1 3.07Å; E2-H4 IonicContact OE2-NE2 2.74Å; E2-H4 PolarHBondContact OE2-NE2 3.43Å; E2-L48 WeakPolarHBondContact O-CA 3.44Å; E2-I49 PolarHBondContact N-O 3.36Å; E2-I49 PolarHBondContact O-N 2.88Å; E2-S51 WeakPolarHBondContact OE1-CB 3.42Å; E2-S51 PolarHBondContact OE1-OG 3.01Å; E2-S51 PolarHBondContact OE2-OG 2.88Å
3L97.6Very high96.4Very high34 Ų3457.4 Ų57.418%0.17828%0.284CS..EExtended strand (participates in β ladder)trans-101.8122.5177-169.476.4000109.1L46 V47 L92 F99L3-L46 HydrophobicContact CD1-CB 4.01Å; L3-L46 HydrophobicContact CD2-CD1 4.06Å; L3-L46 HydrophobicContact CG-CB 4.28Å; L3-V47 WeakPolarHBondContact CA-O 3.48Å; L3-L92 HydrophobicContact CD1-CD1 3.72Å; L3-F99 HydrophobicContact CD2-CB 4.4Å
4H97.3Very high96.4Very high59 Ų5958.8 Ų58.827%0.27329%0.29SS..EExtended strand (participates in β ladder)trans-127.7142.4-179.1-70.5-80.5000111E2 L6 V9 L46 V47 I49E2-H4 WeakPolarHBondContact CB-NE2 3.4Å; E2-H4 IonicContact OE2-CD2 2.73Å; E2-H4 IonicContact OE2-CE1 3.07Å; E2-H4 IonicContact OE2-NE2 2.74Å; E2-H4 PolarHBondContact OE2-NE2 3.43Å; H4-L6 PolarHBondContact O-N 3.04Å; H4-V9 HydrophobicContact CB-CG1 4.15Å; H4-V9 HydrophobicContact CB-CG2 3.92Å; H4-L46 WeakPolarHBondContact O-CA 3.32Å; H4-V47 HydrophobicContact CB-CG2 4.4Å; H4-V47 PolarHBondContact N-O 3.4Å; H4-V47 WeakPolarHBondContact O-CG2 3.38Å; H4-V47 PolarHBondContact O-N 2.91Å; H4-I49 HydrophobicContact CB-CD1 4.31Å
5P97.5Very high96.4Very high12 Ų1257.7 Ų57.78%0.07829%0.294CS..EExtended strand (participates in β ladder)trans-62.9127.1165.5-18.331.5000110.4H7 K8 L46 F99P5-H7 WeakPolarHBondContact CB-CE1 3.18Å; P5-H7 PolarHBondContact O-N 3.06Å; P5-H7 VanDerWaalsContact O-N 3.15Å; P5-K8 HydrophobicContact CB-CD 4.37Å; P5-K8 HydrophobicContact CB-CG 4.25Å; P5-K8 HydrophobicContact CG-CD 4.14Å; P5-K8 WeakPolarHBondContact O-CB 3.49Å; P5-K8 PolarHBondContact O-N 3.05Å; P5-L46 HydrophobicContact CB-CD2 4.32Å; P5-L46 HydrophobicContact CG-CD2 4.25Å; P5-F99 HydrophobicContact CG-CE2 4.19Å; P5-F99 HydrophobicContact CG-CZ 4.17Å
6L97.4Very high96.5Very high5 Ų554.1 Ų54.13%0.02628%0.275CS..G310 helixtrans-57.1-35-174.3179.260.3000112.8H4 K8 V9 L13 C16 L35 S45 V47H4-L6 PolarHBondContact O-N 3.04Å; L6-K8 PolarHBondContact O-N 3.05Å; L6-V9 CarbonylContact O-C 3.53Å; L6-V9 VanDerWaalsContact O-C 3.31Å; L6-V9 PolarHBondContact O-N 2.96Å; L6-V9 VanDerWaalsContact O-N 3.11Å; L6-L13 HydrophobicContact CD2-CD1 3.96Å; L6-L13 HydrophobicContact CG-CD1 4.48Å; L6-C16 HydrophobicContact CD2-CB 4.41Å; L6-L35 HydrophobicContact CD2-CB 3.99Å; L6-L35 HydrophobicContact CD2-CD1 4Å; L6-L35 HydrophobicContact CD2-CD2 3.77Å; L6-L35 HydrophobicContact CD2-CG 4.12Å; L6-S45 VanDerWaalsContact CB-O 3.28Å; L6-S45 WeakPolarHBondContact CB-O 3.37Å; L6-S45 PolarHBondContact N-O 3.27Å; L6-V47 HydrophobicContact CB-CG1 4.28Å; L6-V47 HydrophobicContact CD1-CG1 3.87Å; L6-V47 HydrophobicContact CD1-CG2 4.33Å; L6-V47 HydrophobicContact CG-CG1 4.49Å
7H96.2Very high96.6Very high62 Ų6250.9 Ų50.929%0.28726%0.259SS..G310 helixtrans-68-13.7178.259.9-98.6000113.4P5 S38 N39 D40P5-H7 WeakPolarHBondContact CB-CE1 3.18Å; P5-H7 PolarHBondContact O-N 3.06Å; P5-H7 VanDerWaalsContact O-N 3.15Å; H7-S38 WeakPolarHBondContact CB-O 3.44Å; H7-S38 PolarHBondContact ND1-OG 2.89Å; H7-N39 VanDerWaalsContact CE1-C 3.41Å; H7-N39 PolarHBondContact CE1-O 3.45Å; H7-D40 IonicContact NE2-OD1 3.88Å; H7-D40 PolarHBondContact NE2-OD1 3.3Å
8K96.5Very high96.6Very high114 Ų11453.2 Ų53.250%0.49627%0.272SS..G310 helixtrans-93.5-12.8173.5-59.3-171.6-178.3178.80113.2P5 L6 D40P5-K8 HydrophobicContact CB-CD 4.37Å; P5-K8 HydrophobicContact CB-CG 4.25Å; P5-K8 HydrophobicContact CG-CD 4.14Å; P5-K8 WeakPolarHBondContact O-CB 3.49Å; P5-K8 PolarHBondContact O-N 3.05Å; L6-K8 PolarHBondContact O-N 3.05Å; K8-D40 WeakPolarHBondContact CE-OD1 3.49Å; K8-D40 IonicContact NZ-OD1 2.61Å; K8-D40 PolarHBondContact NZ-OD1 2.89Å; K8-D40 IonicContact NZ-OD2 2.91Å; K8-D40 PolarHBondContact NZ-OD2 3.16Å
9V96.2Very high96.6Very high17 Ų1750.4 Ų50.410%0.10326%0.258CS..  trans-133.162.2-178.9-67.70000110.6H4 L6 E11 Y12 V47 I49H4-V9 HydrophobicContact CB-CG1 4.15Å; H4-V9 HydrophobicContact CB-CG2 3.92Å; L6-V9 CarbonylContact O-C 3.53Å; L6-V9 VanDerWaalsContact O-C 3.31Å; L6-V9 PolarHBondContact O-N 2.96Å; L6-V9 VanDerWaalsContact O-N 3.11Å; V9-E11 VanDerWaalsContact CA-OE2 3.24Å; V9-E11 WeakPolarHBondContact CA-OE2 3.37Å; V9-E11 PolarHBondContact O-N 3.26Å; V9-Y12 HydrophobicContact CB-CD2 3.89Å; V9-Y12 HydrophobicContact CB-CE2 4.35Å; V9-Y12 HydrophobicContact CG2-CD2 4.06Å; V9-Y12 PolarHBondContact O-N 3.41Å; V9-Y12 VanDerWaalsContact O-N 3.13Å; V9-V47 HydrophobicContact CG2-CG2 3.68Å; V9-I49 HydrophobicContact CG2-CD1 4.06Å
10P95.6Very high96.6Very high87 Ų8748.1 Ų48.157%0.56525%0.246SC*.G310 helixtrans-61-19.1-172.627-36.1000113.9Y12 L13P10-Y12 PolarHBondContact O-N 2.91Å; P10-Y12 VanDerWaalsContact O-N 3.17Å; P10-L13 WeakPolarHBondContact O-CB 3.45Å; P10-L13 PolarHBondContact O-N 2.65Å
11E96.1Very high96.6Very high114 Ų11447.3 Ų47.353%0.53324%0.243SC..G310 helixtrans-61.1-20.9175.669.2-86.8-155.200113.7V9V9-E11 VanDerWaalsContact CA-OE2 3.24Å; V9-E11 WeakPolarHBondContact CA-OE2 3.37Å; V9-E11 PolarHBondContact O-N 3.26Å
12Y96.6Very high96.7Very high24 Ų2449.6 Ų49.69%0.09425%0.25CS..G310 helixtrans-94.43.3176.1-62.5-79.8000113.7V9 P10 E14 A15 C16 I49 L56V9-Y12 HydrophobicContact CB-CD2 3.89Å; V9-Y12 HydrophobicContact CB-CE2 4.35Å; V9-Y12 HydrophobicContact CG2-CD2 4.06Å; V9-Y12 PolarHBondContact O-N 3.41Å; V9-Y12 VanDerWaalsContact O-N 3.13Å; P10-Y12 PolarHBondContact O-N 2.91Å; P10-Y12 VanDerWaalsContact O-N 3.17Å; Y12-E14 PolarHBondContact O-N 3.21Å; Y12-A15 PolarHBondContact O-N 3.15Å; Y12-C16 WeakPolarHBondContact O-CB 3.3Å; Y12-C16 PolarHBondContact O-N 3.2Å; Y12-I49 HydrophobicContact CD1-CG1 4.48Å; Y12-I49 HydrophobicContact CD2-CD1 3.54Å; Y12-I49 HydrophobicContact CD2-CG1 4.24Å; Y12-I49 HydrophobicContact CE1-CD1 4.49Å; Y12-I49 HydrophobicContact CE1-CG1 4.32Å; Y12-I49 HydrophobicContact CE1-CG2 4.21Å; Y12-I49 HydrophobicContact CE2-CD1 3.4Å; Y12-I49 HydrophobicContact CE2-CG1 4.09Å; Y12-I49 HydrophobicContact CE2-CG2 4.36Å; Y12-I49 HydrophobicContact CG-CD1 4.17Å; Y12-I49 HydrophobicContact CG-CG1 4.43Å; Y12-I49 WeakPolarHBondContact OH-CG2 3.49Å; Y12-L56 HydrophobicContact CD1-CB 4.11Å
13L96.8Very high96.6Very high49 Ų4948.8 Ų48.826%0.25725%0.246SC..Hα-helixtrans-58.9-50.9-176.9-178.362.5000112L6 P10 C16 V17 L32 L35L6-L13 HydrophobicContact CD2-CD1 3.96Å; L6-L13 HydrophobicContact CG-CD1 4.48Å; P10-L13 WeakPolarHBondContact O-CB 3.45Å; P10-L13 PolarHBondContact O-N 2.65Å; L13-C16 WeakPolarHBondContact O-CB 3.46Å; L13-C16 PolarHBondContact O-N 3.23Å; L13-V17 WeakPolarHBondContact O-CG2 3.48Å; L13-V17 PolarHBondContact O-N 3.36Å; L13-L32 HydrophobicContact CD1-CD2 4.28Å; L13-L32 HydrophobicContact CD2-CD2 3.76Å; L13-L32 HydrophobicContact CG-CD2 3.85Å; L13-L35 HydrophobicContact CD1-CB 3.84Å; L13-L35 HydrophobicContact CD1-CD1 3.82Å; L13-L35 HydrophobicContact CD1-CG 4.49Å
14E96.2Very high96.5Very high77 Ų7752.7 Ų52.736%0.3626%0.259SS..Hα-helixtrans-61.8-47.5179.6-65.1-56.6137.100111.8Y12 C16 V17 D18 R28Y12-E14 PolarHBondContact O-N 3.21Å; E14-C16 PolarHBondContact O-N 3.19Å; E14-V17 WeakPolarHBondContact O-CB 3.4Å; E14-V17 PolarHBondContact O-N 3.01Å; E14-D18 PolarHBondContact O-N 3.09Å; E14-R28 IonicContact OE1-CZ 2.86Å; E14-R28 IonicContact OE1-NH2 2.72Å; E14-R28 PolarHBondContact OE1-NH2 3.39Å; E14-R28 IonicContact OE2-CZ 3.91Å; E14-R28 VanDerWaalsContact OE2-CZ 3.31Å; E14-R28 IonicContact OE2-NE 3.44Å; E14-R28 PolarHBondContact OE2-NE 3.43Å; E14-R28 IonicContact OE2-NH2 2.81Å; E14-R28 PolarHBondContact OE2-NH2 3.17Å
15A96.5Very high96.4Very high42 Ų4255 Ų5535%0.34728%0.279SS..Hα-helixtrans-58.4-35.3176.600000112Y12 L19 L56Y12-A15 PolarHBondContact O-N 3.15Å; A15-L19 WeakPolarHBondContact O-CB 3.46Å; A15-L19 PolarHBondContact O-N 3.42Å; A15-L56 VanDerWaalsContact C-CD2 3.44Å; A15-L56 HydrophobicContact CB-CB 4.12Å; A15-L56 HydrophobicContact CB-CD2 3.94Å; A15-L56 WeakPolarHBondContact O-CD2 3.47Å
16C97.5Very high96.2Very high0 Ų062.5 Ų62.50%031%0.306CS..Hα-helixtrans-71.3-38.4177.1-171.50000112.3L6 Y12 L13 E14 L20 L35 L56 H59L6-C16 HydrophobicContact CD2-CB 4.41Å; Y12-C16 WeakPolarHBondContact O-CB 3.3Å; Y12-C16 PolarHBondContact O-N 3.2Å; L13-C16 WeakPolarHBondContact O-CB 3.46Å; L13-C16 PolarHBondContact O-N 3.23Å; E14-C16 PolarHBondContact O-N 3.19Å; C16-L20 WeakPolarHBondContact O-CB 3.42Å; C16-L20 WeakPolarHBondContact O-CG 3.5Å; C16-L20 PolarHBondContact O-N 3.14Å; C16-L35 HydrophobicContact CB-CD1 4.23Å; C16-L56 HydrophobicContact CB-CD2 3.83Å; C16-L56 VanDerWaalsContact N-CD2 3.33Å; C16-H59 PolarHBondContact SG-CD2 3.38Å
17V97.6Very high96.2Very high0 Ų065.4 Ų65.40%033%0.327CS..Hα-helixtrans-60.9-47.4173.7172.30000110.2L13 E14 L20 N21 R28 R31 L32 L35L13-V17 WeakPolarHBondContact O-CG2 3.48Å; L13-V17 PolarHBondContact O-N 3.36Å; E14-V17 WeakPolarHBondContact O-CB 3.4Å; E14-V17 PolarHBondContact O-N 3.01Å; V17-L20 PolarHBondContact O-N 2.98Å; V17-N21 WeakPolarHBondContact O-CB 3.37Å; V17-N21 PolarHBondContact O-N 3.13Å; V17-R28 HydrophobicContact CG1-CG 4.07Å; V17-R31 HydrophobicContact CB-CB 4.28Å; V17-R31 HydrophobicContact CG1-CB 3.67Å; V17-R31 HydrophobicContact CG1-CG 4.09Å; V17-R31 HydrophobicContact CG2-CB 3.94Å; V17-L32 HydrophobicContact CG2-CD2 3.86Å; V17-L32 HydrophobicContact CG2-CG 4.21Å; V17-L35 HydrophobicContact CG2-CD1 3.75Å
18D97.1Very high96.2Very high92 Ų9267.5 Ų67.549%0.49233%0.332SS..Hα-helixtrans-61.7-47.7178.4-70.6-19.2000111.6E14 L20 N21 K22E14-D18 PolarHBondContact O-N 3.09Å; D18-L20 VanDerWaalsContact C-N 3.35Å; D18-L20 PolarHBondContact O-N 3.3Å; D18-N21 PolarHBondContact O-N 3.19Å; D18-K22 WeakPolarHBondContact O-CG 3.5Å; D18-K22 PolarHBondContact O-N 3.41Å
19L97.2Very high96.2Very high1 Ų167.7 Ų67.71%0.00534%0.335CS..Hα-helixtrans-56.2-47.6177.617559.4000111.9A15 N21 K22 L56 H59 I78 E80A15-L19 WeakPolarHBondContact O-CB 3.46Å; A15-L19 PolarHBondContact O-N 3.42Å; L19-N21 VanDerWaalsContact C-N 3.35Å; L19-K22 PolarHBondContact O-N 2.78Å; L19-L56 HydrophobicContact CB-CD2 4.3Å; L19-L56 HydrophobicContact CD2-CD2 3.92Å; L19-L56 HydrophobicContact CD2-CG 4.28Å; L19-H59 HydrophobicContact CD2-CB 4.42Å; L19-I78 HydrophobicContact CD1-CD1 3.86Å; L19-I78 HydrophobicContact CD1-CG1 4.03Å; L19-I78 HydrophobicContact CD2-CG2 3.96Å; L19-I78 HydrophobicContact CG-CD1 4.08Å; L19-I78 HydrophobicContact CG-CG1 4.31Å; L19-I78 HydrophobicContact CG-CG2 3.95Å; L19-I78 WeakPolarHBondContact O-CD1 3.35Å; L19-E80 HydrophobicContact CD1-CB 4.2Å; L19-E80 WeakPolarHBondContact CD1-OE2 3.35Å
20L97.1Very high96.1Very high3 Ų368.5 Ų68.52%0.01634%0.343CS..Hα-helixtrans-66.5-37.3179.4-75.5169.9000112.4C16 V17 D18 Q23 W24 R31 L35 I78C16-L20 WeakPolarHBondContact O-CB 3.42Å; C16-L20 WeakPolarHBondContact O-CG 3.5Å; C16-L20 PolarHBondContact O-N 3.14Å; V17-L20 PolarHBondContact O-N 2.98Å; D18-L20 VanDerWaalsContact C-N 3.35Å; D18-L20 PolarHBondContact O-N 3.3Å; L20-Q23 PolarHBondContact O-N 3.46Å; L20-W24 HydrophobicContact CD2-CE3 4.26Å; L20-W24 HydrophobicContact CD2-CZ3 4.17Å; L20-W24 PolarHBondContact O-N 2.97Å; L20-R31 PolarHBondContact O-NH2 3.42Å; L20-L35 HydrophobicContact CD1-CD1 4.32Å; L20-L35 HydrophobicContact CD1-CD2 4.08Å; L20-I78 HydrophobicContact CD2-CG2 4.06Å
21N96.6Very high96.1Very high33 Ų3365.5 Ų65.518%0.17632%0.32CS..Hα-helixtrans-74-27.7179.4-83.3-12.9000113.3V17 D18 L19 Q23 P25 R26 R31V17-N21 WeakPolarHBondContact O-CB 3.37Å; V17-N21 PolarHBondContact O-N 3.13Å; D18-N21 PolarHBondContact O-N 3.19Å; L19-N21 VanDerWaalsContact C-N 3.35Å; N21-Q23 PolarHBondContact O-N 3.33Å; N21-P25 WeakPolarHBondContact O-CG 3.48Å; N21-R26 PolarHBondContact ND2-O 3.4Å; N21-R26 VanDerWaalsContact ND2-O 3.15Å; N21-R26 PolarHBondContact OD1-N 3.11Å; N21-R26 VanDerWaalsContact OD1-N 3.12Å; N21-R26 PolarHBondContact OD1-O 2.87Å; N21-R31 VanDerWaalsContact OD1-CG 3.28Å; N21-R31 WeakPolarHBondContact OD1-CG 3.41Å; N21-R31 PolarHBondContact OD1-NE 2.77Å
22K95.5Very high96Very high123 Ų12362 Ų6254%0.53531%0.305SS..Hα-helixtrans-57.4-35.9169.9-73.8172.7-174.2172.50112.4D18 L19 E80D18-K22 WeakPolarHBondContact O-CG 3.5Å; D18-K22 PolarHBondContact O-N 3.41Å; L19-K22 PolarHBondContact O-N 2.78Å; K22-E80 IonicContact NZ-OE1 3.75Å; K22-E80 PolarHBondContact NZ-OE1 2.93Å; K22-E80 IonicContact NZ-OE2 2.73Å; K22-E80 PolarHBondContact NZ-OE2 3.18Å
23Q94.4Very high95.9Very high76 Ų7665.8 Ų65.836%0.35533%0.327SS..Hα-helixtrans-98.3-37.1-176.3-173.965.25900113.6L20 N21 I78L20-Q23 PolarHBondContact O-N 3.46Å; N21-Q23 PolarHBondContact O-N 3.33Å; Q23-I78 HydrophobicContact CB-CD1 3.33Å; Q23-I78 HydrophobicContact CG-CD1 3.94Å
24W94.1Very high95.7Very high116 Ų11665.3 Ų65.344%0.43933%0.328SS..SBendtrans-136.184.2-178.3-59.1-63.9000109L20 R26 R31 I78L20-W24 HydrophobicContact CD2-CE3 4.26Å; L20-W24 HydrophobicContact CD2-CZ3 4.17Å; L20-W24 PolarHBondContact O-N 2.97Å; W24-R26 PolarHBondContact O-N 2.79Å; W24-R31 VanDerWaalsContact CB-NH2 3.34Å; W24-R31 PolarHBondContact O-NH2 3.48Å; W24-I78 HydrophobicContact CH2-CB 4.49Å; W24-I78 HydrophobicContact CZ3-CB 4.22Å; W24-I78 HydrophobicContact CZ3-CD1 4.42Å
25P95.3Very high95.6Very high107 Ų10762 Ų6270%0.69531%0.312SS*.  trans-56.1127.2-174.9-27.434.9000113.3N21N21-P25 WeakPolarHBondContact O-CG 3.48Å
26R94.7Very high95.4Very high170 Ų17063.8 Ų63.864%0.64233%0.327SS*.  trans-144.4167172.4-64.6-62.4-67.9-102-0.3109.3N21 W24 R31N21-R26 PolarHBondContact ND2-O 3.4Å; N21-R26 VanDerWaalsContact ND2-O 3.15Å; N21-R26 PolarHBondContact OD1-N 3.11Å; N21-R26 VanDerWaalsContact OD1-N 3.12Å; N21-R26 PolarHBondContact OD1-O 2.87Å; W24-R26 PolarHBondContact O-N 2.79Å; R26-R31 HydrophobicContact CB-CG 4.34Å
27S96.6Very high95.2Very high66 Ų6667.8 Ų67.846%0.46235%0.345SS..  trans-60.7146.8172.166.80000111E29 A30 R31S27-E29 PolarHBondContact O-N 2.74Å; S27-A30 PolarHBondContact O-N 2.91Å; S27-A30 WeakPolarHBondContact OG-CB 3.19Å; S27-A30 PolarHBondContact OG-N 2.97Å; S27-R31 PolarHBondContact O-N 2.8Å; S27-R31 VanDerWaalsContact O-N 3.11Å
28R96Very high95Very high106 Ų10668.2 Ų68.240%0.435%0.348SS..Hα-helixtrans-58.3-40.7179.2-178.4169.4172.7-82.20.4110.6E14 V17 A30 R31 L32E14-R28 IonicContact OE1-CZ 2.86Å; E14-R28 IonicContact OE1-NH2 2.72Å; E14-R28 PolarHBondContact OE1-NH2 3.39Å; E14-R28 IonicContact OE2-CZ 3.91Å; E14-R28 VanDerWaalsContact OE2-CZ 3.31Å; E14-R28 IonicContact OE2-NE 3.44Å; E14-R28 PolarHBondContact OE2-NE 3.43Å; E14-R28 IonicContact OE2-NH2 2.81Å; E14-R28 PolarHBondContact OE2-NH2 3.17Å; V17-R28 HydrophobicContact CG1-CG 4.07Å; R28-A30 PolarHBondContact O-N 3.37Å; R28-R31 WeakPolarHBondContact O-CB 3.4Å; R28-R31 PolarHBondContact O-N 2.92Å; R28-R31 VanDerWaalsContact O-N 3.17Å; R28-L32 HydrophobicContact CG-CD1 4.11Å; R28-L32 HydrophobicContact CG-CG 4.48Å; R28-L32 WeakPolarHBondContact O-CG 3.46Å; R28-L32 PolarHBondContact O-N 2.97Å
29E95.7Very high94.9Very high119 Ų11966.2 Ų66.256%0.55634%0.337SS*.Hα-helixtrans-64.8-39.3179.1-61.465-135.800111.3S27 R31 L32 N33S27-E29 PolarHBondContact O-N 2.74Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 3.48Å; E29-L32 PolarHBondContact O-N 2.84Å; E29-N33 VanDerWaalsContact O-CB 3.28Å; E29-N33 WeakPolarHBondContact O-CB 3.46Å; E29-N33 PolarHBondContact O-N 2.9Å
30A94.2Very high94.7Very high33 Ų3370.1 Ų70.127%0.27336%0.357SS..Hα-helixtrans-66.4-36.617600000111.6S27 R28 S34S27-A30 PolarHBondContact O-N 2.91Å; S27-A30 WeakPolarHBondContact OG-CB 3.19Å; S27-A30 PolarHBondContact OG-N 2.97Å; R28-A30 PolarHBondContact O-N 3.37Å; A30-S34 VanDerWaalsContact O-CB 3.29Å; A30-S34 WeakPolarHBondContact O-CB 3.39Å; A30-S34 PolarHBondContact O-N 2.77Å; A30-S34 VanDerWaalsContact O-N 3.08Å
31R95.6Very high94.4Very high25 Ų2576.9 Ų76.99%0.09439%0.394CS..Hα-helixtrans-66.7-48.8174-69-63.3-174.4-176.3-0.3111.6V17 L20 N21 W24 R26 S27 R28 E29 N33 S34 L35V17-R31 HydrophobicContact CB-CB 4.28Å; V17-R31 HydrophobicContact CG1-CB 3.67Å; V17-R31 HydrophobicContact CG1-CG 4.09Å; V17-R31 HydrophobicContact CG2-CB 3.94Å; L20-R31 PolarHBondContact O-NH2 3.42Å; N21-R31 VanDerWaalsContact OD1-CG 3.28Å; N21-R31 WeakPolarHBondContact OD1-CG 3.41Å; N21-R31 PolarHBondContact OD1-NE 2.77Å; W24-R31 VanDerWaalsContact CB-NH2 3.34Å; W24-R31 PolarHBondContact O-NH2 3.48Å; R26-R31 HydrophobicContact CB-CG 4.34Å; S27-R31 PolarHBondContact O-N 2.8Å; S27-R31 VanDerWaalsContact O-N 3.11Å; R28-R31 WeakPolarHBondContact O-CB 3.4Å; R28-R31 PolarHBondContact O-N 2.92Å; R28-R31 VanDerWaalsContact O-N 3.17Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 3.48Å; R31-N33 PolarHBondContact O-N 2.87Å; R31-S34 WeakPolarHBondContact O-CB 3.43Å; R31-S34 PolarHBondContact O-N 2.9Å; R31-S34 VanDerWaalsContact O-N 3.16Å; R31-L35 WeakPolarHBondContact O-CG 3.43Å; R31-L35 PolarHBondContact O-N 3.35Å
32L95.2Very high94.1Very high40 Ų4076.2 Ų76.221%0.20939%0.389CS..Hα-helixtrans-57.7-50.1177.1-72.5171.8000111.5L13 V17 R28 E29 S34 L35 A36L13-L32 HydrophobicContact CD1-CD2 4.28Å; L13-L32 HydrophobicContact CD2-CD2 3.76Å; L13-L32 HydrophobicContact CG-CD2 3.85Å; V17-L32 HydrophobicContact CG2-CD2 3.86Å; V17-L32 HydrophobicContact CG2-CG 4.21Å; R28-L32 HydrophobicContact CG-CD1 4.11Å; R28-L32 HydrophobicContact CG-CG 4.48Å; R28-L32 WeakPolarHBondContact O-CG 3.46Å; R28-L32 PolarHBondContact O-N 2.97Å; E29-L32 PolarHBondContact O-N 2.84Å; L32-S34 VanDerWaalsContact C-N 3.26Å; L32-S34 PolarHBondContact O-N 3.29Å; L32-L35 PolarHBondContact O-N 2.98Å; L32-A36 WeakPolarHBondContact O-CB 3.39Å; L32-A36 PolarHBondContact O-N 2.88Å
33N93.5Very high94Very high104 Ų10470.6 Ų70.656%0.55637%0.366SS*.Hα-helixtrans-58.7-38.7176.9-178.338.8000112.3E29 R31E29-N33 VanDerWaalsContact O-CB 3.28Å; E29-N33 WeakPolarHBondContact O-CB 3.46Å; E29-N33 PolarHBondContact O-N 2.9Å; R31-N33 PolarHBondContact O-N 2.87Å
34S92.5Very high94.1Very high38 Ų3867 Ų6727%0.26635%0.349SS..Hα-helixtrans-67.7-44.9177.8-170.50000112.2A30 R31 L32 K37 R61A30-S34 VanDerWaalsContact O-CB 3.29Å; A30-S34 WeakPolarHBondContact O-CB 3.39Å; A30-S34 PolarHBondContact O-N 2.77Å; A30-S34 VanDerWaalsContact O-N 3.08Å; R31-S34 WeakPolarHBondContact O-CB 3.43Å; R31-S34 PolarHBondContact O-N 2.9Å; R31-S34 VanDerWaalsContact O-N 3.16Å; L32-S34 VanDerWaalsContact C-N 3.26Å; L32-S34 PolarHBondContact O-N 3.29Å; S34-K37 PolarHBondContact O-N 3.01Å; S34-R61 VanDerWaalsContact O-CZ 3.28Å; S34-R61 PolarHBondContact O-NH1 2.95Å; S34-R61 PolarHBondContact O-NH2 3.19Å; S34-R61 PolarHBondContact OG-NH1 3.24Å
35L95.1Very high94.2Very high8 Ų861.5 Ų61.54%0.04233%0.328CS..Hα-helixtrans-72.4-32.5-179.7-67.1175.5000112.4L6 L13 C16 V17 L20 R31 L32 K37 S38L6-L35 HydrophobicContact CD2-CB 3.99Å; L6-L35 HydrophobicContact CD2-CD1 4Å; L6-L35 HydrophobicContact CD2-CD2 3.77Å; L6-L35 HydrophobicContact CD2-CG 4.12Å; L13-L35 HydrophobicContact CD1-CB 3.84Å; L13-L35 HydrophobicContact CD1-CD1 3.82Å; L13-L35 HydrophobicContact CD1-CG 4.49Å; C16-L35 HydrophobicContact CB-CD1 4.23Å; V17-L35 HydrophobicContact CG2-CD1 3.75Å; L20-L35 HydrophobicContact CD1-CD1 4.32Å; L20-L35 HydrophobicContact CD1-CD2 4.08Å; R31-L35 WeakPolarHBondContact O-CG 3.43Å; R31-L35 PolarHBondContact O-N 3.35Å; L32-L35 PolarHBondContact O-N 2.98Å; L35-K37 PolarHBondContact O-N 3.18Å; L35-S38 WeakPolarHBondContact O-CB 3.39Å; L35-S38 PolarHBondContact O-N 3.25Å
36A92.8Very high94.4Very high79 Ų7956.4 Ų56.465%0.65330%0.295SS*.Hα-helixtrans-62.8-20.2176.600000113.4L32 S38L32-A36 WeakPolarHBondContact O-CB 3.39Å; L32-A36 PolarHBondContact O-N 2.88Å; A36-S38 PolarHBondContact O-N 2.95Å
37K92.3Very high94.5Very high85 Ų8548.3 Ų48.337%0.3726%0.264SS..THydrogen-bonded Turntrans-72.5-9.2172.7-64.8173.7-178.8-172.40113.4S34 L35 N39 P43S34-K37 PolarHBondContact O-N 3.01Å; L35-K37 PolarHBondContact O-N 3.18Å; K37-N39 PolarHBondContact O-N 3.21Å; K37-N39 PolarHBondContact O-ND2 3.34Å; K37-P43 HydrophobicContact CB-CG 4.15Å
38S94.6Very high94.6Very high9 Ų945.1 Ų45.16%0.06324%0.242CC..  trans-63.7122.8177.8-170.90000110.4H7 L35 A36 P43 S45H7-S38 WeakPolarHBondContact CB-O 3.44Å; H7-S38 PolarHBondContact ND1-OG 2.89Å; L35-S38 WeakPolarHBondContact O-CB 3.39Å; L35-S38 PolarHBondContact O-N 3.25Å; A36-S38 PolarHBondContact O-N 2.95Å; S38-P43 VanDerWaalsContact CA-O 3.24Å; S38-P43 WeakPolarHBondContact CA-O 3.48Å; S38-S45 PolarHBondContact OG-N 3.12Å
39N93.2Very high94.7Very high49 Ų4940.4 Ų40.426%0.26223%0.225SC..  trans-147.7177.4-179.768.574.1000111.3H7 K37 D41 F42 P43 Q44H7-N39 VanDerWaalsContact CE1-C 3.41Å; H7-N39 PolarHBondContact CE1-O 3.45Å; K37-N39 PolarHBondContact O-N 3.21Å; K37-N39 PolarHBondContact O-ND2 3.34Å; N39-D41 PolarHBondContact O-N 2.86Å; N39-D41 VanDerWaalsContact OD1-CA 3.3Å; N39-D41 WeakPolarHBondContact OD1-CA 3.42Å; N39-D41 WeakPolarHBondContact OD1-CB 3.08Å; N39-D41 PolarHBondContact OD1-N 2.86Å; N39-F42 PolarHBondContact ND2-O 2.95Å; N39-F42 PolarHBondContact OD1-N 2.61Å; N39-F42 PolarHBondContact OD1-O 2.86Å; N39-P43 PolarHBondContact N-O 3.48Å; N39-Q44 WeakPolarHBondContact O-CG 3.06Å; N39-Q44 PolarHBondContact O-NE2 3.28Å
40D94Very high94.7Very high83 Ų8337.8 Ų37.844%0.44421%0.212SC..THydrogen-bonded Turntrans-70.8-26.8-177.6-84-43.9000114.2H7 K8 Q44H7-D40 IonicContact NE2-OD1 3.88Å; H7-D40 PolarHBondContact NE2-OD1 3.3Å; K8-D40 WeakPolarHBondContact CE-OD1 3.49Å; K8-D40 IonicContact NZ-OD1 2.61Å; K8-D40 PolarHBondContact NZ-OD1 2.89Å; K8-D40 IonicContact NZ-OD2 2.91Å; K8-D40 PolarHBondContact NZ-OD2 3.16Å; D40-Q44 PolarHBondContact O-NE2 2.91Å
41D91.2Very high94.6Very high146 Ų14638.4 Ų38.478%0.78121%0.214SC*.THydrogen-bonded Turntrans-94.713.8-177.5-60.3-44.3000114.4N39N39-D41 PolarHBondContact O-N 2.86Å; N39-D41 VanDerWaalsContact OD1-CA 3.3Å; N39-D41 WeakPolarHBondContact OD1-CA 3.42Å; N39-D41 WeakPolarHBondContact OD1-CB 3.08Å; N39-D41 PolarHBondContact OD1-N 2.86Å
42F89.9Confident94.5Very high19 Ų1941.9 Ų41.98%0.08325%0.249CC..SBendtrans71153.2-172.3-61.2-95.9000115.7N39 Q44 L62 P64 R103 Y105N39-F42 PolarHBondContact ND2-O 2.95Å; N39-F42 PolarHBondContact OD1-N 2.61Å; N39-F42 PolarHBondContact OD1-O 2.86Å; F42-Q44 HydrophobicContact CD1-CB 4.14Å; F42-Q44 HydrophobicContact CD1-CG 4.32Å; F42-Q44 HydrophobicContact CE1-CB 4.39Å; F42-L62 HydrophobicContact CD1-CB 3.99Å; F42-L62 HydrophobicContact CE1-CB 3.67Å; F42-L62 HydrophobicContact CE1-CD1 4.19Å; F42-P64 HydrophobicContact CB-CG 4.17Å; F42-R103 HydrophobicContact CE2-CB 4.19Å; F42-R103 HydrophobicContact CE2-CG 4.38Å; F42-R103 HydrophobicContact CZ-CB 4.17Å; F42-R103 HydrophobicContact CZ-CG 4.35Å; F42-Y105 HydrophobicContact CD2-CE2 4.38Å; F42-Y105 HydrophobicContact CE1-CE2 4.09Å; F42-Y105 AromaticContact CE2-CE2 3.54Å; F42-Y105 HydrophobicContact CE2-CE2 3.54Å; F42-Y105 HydrophobicContact CZ-CD2 4.14Å; F42-Y105 AromaticContact CZ-CE2 3.35Å; F42-Y105 HydrophobicContact CZ-CE2 3.35Å
43P94.2Very high94.4Very high5 Ų542.5 Ų42.53%0.03226%0.26CS..  cis-64.8150.3-2.829.8-36.1000112.3K37 S38 N39 L62 C63K37-P43 HydrophobicContact CB-CG 4.15Å; S38-P43 VanDerWaalsContact CA-O 3.24Å; S38-P43 WeakPolarHBondContact CA-O 3.48Å; N39-P43 PolarHBondContact N-O 3.48Å; P43-L62 CarbonylContact C-O 3.59Å; P43-L62 VanDerWaalsContact CA-O 3.27Å; P43-L62 WeakPolarHBondContact CA-O 3.24Å; P43-C63 VanDerWaalsContact CB-SG 3.58Å
44Q95.2Very high94.4Very high0 Ų046.1 Ų46.10%027%0.266CS..EExtended strand (participates in β ladder)trans-118.7110.7179.1-84.1-172.7-35.200110.8N39 D40 F42 L46 R61 L62N39-Q44 WeakPolarHBondContact O-CG 3.06Å; N39-Q44 PolarHBondContact O-NE2 3.28Å; D40-Q44 PolarHBondContact O-NE2 2.91Å; F42-Q44 HydrophobicContact CD1-CB 4.14Å; F42-Q44 HydrophobicContact CD1-CG 4.32Å; F42-Q44 HydrophobicContact CE1-CB 4.39Å; Q44-L46 HydrophobicContact CB-CD2 4.41Å; Q44-R61 CarbonylContact O-C 3.5Å; Q44-R61 WeakPolarHBondContact O-CA 3.34Å; Q44-L62 HydrophobicContact CB-CB 4.5Å; Q44-L62 PolarHBondContact N-O 2.94Å; Q44-L62 PolarHBondContact O-N 2.84Å
45S97.4Very high94.5Very high0 Ų048.3 Ų48.30%027%0.272CS..EExtended strand (participates in β ladder)trans-81117.9166.4-57.90000108.2L6 S38L6-S45 VanDerWaalsContact CB-O 3.28Å; L6-S45 WeakPolarHBondContact CB-O 3.37Å; L6-S45 PolarHBondContact N-O 3.27Å; S38-S45 PolarHBondContact OG-N 3.12Å
46L98.2Very high94.6Very high0 Ų048.5 Ų48.50%027%0.273CS..EExtended strand (participates in β ladder)trans-107.5139.6-178.6-58.3172.9000109.2L3 H4 P5 Q44 H59 A60 L62 F99L3-L46 HydrophobicContact CD1-CB 4.01Å; L3-L46 HydrophobicContact CD2-CD1 4.06Å; L3-L46 HydrophobicContact CG-CB 4.28Å; H4-L46 WeakPolarHBondContact O-CA 3.32Å; P5-L46 HydrophobicContact CB-CD2 4.32Å; P5-L46 HydrophobicContact CG-CD2 4.25Å; Q44-L46 HydrophobicContact CB-CD2 4.41Å; L46-H59 VanDerWaalsContact O-CA 3.32Å; L46-H59 WeakPolarHBondContact O-CA 3.46Å; L46-A60 PolarHBondContact N-O 2.92Å; L46-A60 PolarHBondContact O-N 3.33Å; L46-L62 HydrophobicContact CD1-CD1 3.59Å; L46-L62 HydrophobicContact CD1-CG 3.78Å; L46-F99 HydrophobicContact CD1-CD1 3.83Å; L46-F99 HydrophobicContact CD1-CE1 3.97Å; L46-F99 HydrophobicContact CD1-CG 4.27Å; L46-F99 HydrophobicContact CD2-CD1 4.33Å; L46-F99 HydrophobicContact CD2-CE1 3.76Å; L46-F99 HydrophobicContact CD2-CE2 4.02Å; L46-F99 HydrophobicContact CD2-CZ 3.57Å; L46-F99 HydrophobicContact CG-CE1 4.44Å
47V98.1Very high94.8Very high0 Ų044.8 Ų44.80%024%0.242CC..EExtended strand (participates in β ladder)trans-121.3136.1177.7-73.30000111L3 H4 L6 V9 I49 L56 G58L3-V47 WeakPolarHBondContact CA-O 3.48Å; H4-V47 HydrophobicContact CB-CG2 4.4Å; H4-V47 PolarHBondContact N-O 3.4Å; H4-V47 WeakPolarHBondContact O-CG2 3.38Å; H4-V47 PolarHBondContact O-N 2.91Å; L6-V47 HydrophobicContact CB-CG1 4.28Å; L6-V47 HydrophobicContact CD1-CG1 3.87Å; L6-V47 HydrophobicContact CD1-CG2 4.33Å; L6-V47 HydrophobicContact CG-CG1 4.49Å; V9-V47 HydrophobicContact CG2-CG2 3.68Å; V47-I49 HydrophobicContact CG2-CD1 3.93Å; V47-I49 HydrophobicContact CG2-CG1 4.26Å; V47-L56 HydrophobicContact CB-CD1 3.51Å; V47-L56 HydrophobicContact CG1-CD1 3.59Å; V47-G58 WeakPolarHBondContact CA-O 3.49Å
48L98.1Very high95.1Very high0 Ų040.7 Ų40.70%022%0.224CC..EExtended strand (participates in β ladder)trans-93.5121172.6-175.467.8000108.6M1 E2 V57 G58 I79 F91 L92M1-L48 HydrophobicContact CB-CD1 4.15Å; E2-L48 WeakPolarHBondContact O-CA 3.44Å; L48-V57 HydrophobicContact CB-CB 4.36Å; L48-V57 HydrophobicContact CD2-CB 4.16Å; L48-V57 HydrophobicContact CD2-CG1 3.83Å; L48-V57 HydrophobicContact CG-CB 4.15Å; L48-V57 HydrophobicContact CG-CG1 4.37Å; L48-V57 WeakPolarHBondContact O-CA 3.49Å; L48-V57 WeakPolarHBondContact O-CB 3.44Å; L48-V57 PolarHBondContact O-N 2.79Å; L48-G58 PolarHBondContact N-O 2.9Å; L48-G58 PolarHBondContact O-N 2.94Å; L48-I79 HydrophobicContact CD2-CD1 4.41Å; L48-F91 HydrophobicContact CD1-CD1 3.6Å; L48-F91 HydrophobicContact CD1-CE1 3.53Å; L48-F91 HydrophobicContact CD2-CD1 4.27Å; L48-L92 HydrophobicContact CB-CD1 4.24Å; L48-L92 HydrophobicContact CD2-CB 4.31Å
49I97.3Very high95.3Very high6 Ų640.4 Ų40.43%0.03122%0.222CC..EExtended strand (participates in β ladder)trans-116.1139.4-175.7-63.5161.3000110M1 E2 H4 V9 Y12 V47 Q55M1-I49 WeakPolarHBondContact CA-O 3.43Å; E2-I49 PolarHBondContact N-O 3.36Å; E2-I49 PolarHBondContact O-N 2.88Å; H4-I49 HydrophobicContact CB-CD1 4.31Å; V9-I49 HydrophobicContact CG2-CD1 4.06Å; Y12-I49 HydrophobicContact CD1-CG1 4.48Å; Y12-I49 HydrophobicContact CD2-CD1 3.54Å; Y12-I49 HydrophobicContact CD2-CG1 4.24Å; Y12-I49 HydrophobicContact CE1-CD1 4.49Å; Y12-I49 HydrophobicContact CE1-CG1 4.32Å; Y12-I49 HydrophobicContact CE1-CG2 4.21Å; Y12-I49 HydrophobicContact CE2-CD1 3.4Å; Y12-I49 HydrophobicContact CE2-CG1 4.09Å; Y12-I49 HydrophobicContact CE2-CG2 4.36Å; Y12-I49 HydrophobicContact CG-CD1 4.17Å; Y12-I49 HydrophobicContact CG-CG1 4.43Å; Y12-I49 WeakPolarHBondContact OH-CG2 3.49Å; V47-I49 HydrophobicContact CG2-CD1 3.93Å; V47-I49 HydrophobicContact CG2-CG1 4.26Å; I49-Q55 WeakPolarHBondContact CA-O 3.2Å
50H95.7Very high95.5Very high64 Ų6438 Ų3830%0.29621%0.209SC..EExtended strand (participates in β ladder)trans-92.491.5165.9-172.2-86000109.4M1 A52 A53 R54 Q55 V57M1-H50 HydrophobicContact SD-CB 4.03Å; H50-A52 VanDerWaalsContact C-N 3.31Å; H50-A52 PolarHBondContact O-N 3.4Å; H50-A53 HydrophobicContact CB-CB 4.48Å; H50-A53 WeakPolarHBondContact ND1-CB 3.43Å; H50-A53 PolarHBondContact ND1-N 2.96Å; H50-A53 VanDerWaalsContact ND1-N 3.16Å; H50-A53 CarbonylContact O-C 3.6Å; H50-A53 PolarHBondContact O-N 3.25Å; H50-R54 PolarHBondContact O-N 3.42Å; H50-Q55 PolarHBondContact N-O 3.45Å; H50-Q55 PolarHBondContact O-N 2.97Å; H50-V57 HydrophobicContact CB-CG2 3.75Å
51S92.4Very high95.7Very high46 Ų4634.3 Ų34.332%0.32219%0.189SC..G310 helixtrans-53.3-43.8-169.8-36.30000113.3E2 A53 R54E2-S51 WeakPolarHBondContact OE1-CB 3.42Å; E2-S51 PolarHBondContact OE1-OG 3.01Å; E2-S51 PolarHBondContact OE2-OG 2.88Å; S51-A53 VanDerWaalsContact C-N 3.25Å; S51-A53 PolarHBondContact O-N 2.98Å; S51-R54 PolarHBondContact O-N 2.63Å
52A93.5Very high95.9Very high98 Ų9827.4 Ų27.481%0.8115%0.152SC*.G310 helixtrans-65.1-25.8179.900000113.9H50H50-A52 VanDerWaalsContact C-N 3.31Å; H50-A52 PolarHBondContact O-N 3.4Å
53A93.4Very high96.2Very high54 Ų5426.5 Ų26.545%0.44615%0.148SC..G310 helixtrans-105.6-0.8178.200000112.7H50 S51 Q55H50-A53 HydrophobicContact CB-CB 4.48Å; H50-A53 WeakPolarHBondContact ND1-CB 3.43Å; H50-A53 PolarHBondContact ND1-N 2.96Å; H50-A53 VanDerWaalsContact ND1-N 3.16Å; H50-A53 CarbonylContact O-C 3.6Å; H50-A53 PolarHBondContact O-N 3.25Å; S51-A53 VanDerWaalsContact C-N 3.25Å; S51-A53 PolarHBondContact O-N 2.98Å; A53-Q55 HydrophobicContact CB-CB 4.16Å; A53-Q55 PolarHBondContact O-N 3.3Å; A53-Q55 VanDerWaalsContact O-N 3.15Å
54R93.3Very high96.1Very high179 Ų17928 Ų2868%0.67516%0.158SC*.THydrogen-bonded Turntrans45.143.2-172.2-60.8-178.961.1106.55.9112.7H50 S51H50-R54 PolarHBondContact O-N 3.42Å; S51-R54 PolarHBondContact O-N 2.63Å
55Q95.5Very high95.9Very high85 Ų8528.1 Ų28.140%0.39716%0.158SC..EExtended strand (participates in β ladder)trans-117.3134.8-171.7-172.1-1771.900111.1I49 H50 A53 V57 M83I49-Q55 WeakPolarHBondContact CA-O 3.2Å; H50-Q55 PolarHBondContact N-O 3.45Å; H50-Q55 PolarHBondContact O-N 2.97Å; A53-Q55 HydrophobicContact CB-CB 4.16Å; A53-Q55 PolarHBondContact O-N 3.3Å; A53-Q55 VanDerWaalsContact O-N 3.15Å; Q55-V57 PolarHBondContact O-N 2.87Å; Q55-M83 HydrophobicContact CG-CE 4.4Å
56L97Very high95.4Very high12 Ų1230 Ų306%0.06317%0.171CC..EExtended strand (participates in β ladder)trans-70.2125.4168.6-177.969.7000110.2Y12 A15 C16 L19 V47 G58 M83Y12-L56 HydrophobicContact CD1-CB 4.11Å; A15-L56 VanDerWaalsContact C-CD2 3.44Å; A15-L56 HydrophobicContact CB-CB 4.12Å; A15-L56 HydrophobicContact CB-CD2 3.94Å; A15-L56 WeakPolarHBondContact O-CD2 3.47Å; C16-L56 HydrophobicContact CB-CD2 3.83Å; C16-L56 VanDerWaalsContact N-CD2 3.33Å; L19-L56 HydrophobicContact CB-CD2 4.3Å; L19-L56 HydrophobicContact CD2-CD2 3.92Å; L19-L56 HydrophobicContact CD2-CG 4.28Å; V47-L56 HydrophobicContact CB-CD1 3.51Å; V47-L56 HydrophobicContact CG1-CD1 3.59Å; L56-G58 WeakPolarHBondContact CD1-O 3.17Å; L56-M83 WeakPolarHBondContact O-CE 3.28Å
57V97.2Very high94.7Very high0 Ų032.4 Ų32.40%018%0.182CC..EExtended strand (participates in β ladder)trans-104.4-36.3-178178.30000112.3M1 L48 H50 Q55 I79 E80 M83 R88M1-V57 HydrophobicContact CE-CG1 4.1Å; M1-V57 HydrophobicContact CE-CG2 4.03Å; M1-V57 HydrophobicContact SD-CG2 4.05Å; L48-V57 HydrophobicContact CB-CB 4.36Å; L48-V57 HydrophobicContact CD2-CB 4.16Å; L48-V57 HydrophobicContact CD2-CG1 3.83Å; L48-V57 HydrophobicContact CG-CB 4.15Å; L48-V57 HydrophobicContact CG-CG1 4.37Å; L48-V57 WeakPolarHBondContact O-CA 3.49Å; L48-V57 WeakPolarHBondContact O-CB 3.44Å; L48-V57 PolarHBondContact O-N 2.79Å; H50-V57 HydrophobicContact CB-CG2 3.75Å; Q55-V57 PolarHBondContact O-N 2.87Å; V57-I79 WeakPolarHBondContact O-CA 3.33Å; V57-E80 PolarHBondContact O-N 3.07Å; V57-M83 HydrophobicContact CB-CE 4.04Å; V57-M83 HydrophobicContact CG1-CE 4.11Å; V57-M83 HydrophobicContact CG2-CE 3.88Å; V57-M83 HydrophobicContact CG2-SD 4.38Å; V57-R88 HydrophobicContact CG1-CB 4.35Å
58G97.9Very high94.4Very high0 Ų035.4 Ų35.40%019%0.194CC..EExtended strand (participates in β ladder)trans-165.3168.4-173.500000112.9V47 L48 L56 I78V47-G58 WeakPolarHBondContact CA-O 3.49Å; L48-G58 PolarHBondContact N-O 2.9Å; L48-G58 PolarHBondContact O-N 2.94Å; L56-G58 WeakPolarHBondContact CD1-O 3.17Å; G58-I78 CarbonylContact C-O 3.51Å; G58-I78 WeakPolarHBondContact CA-O 3.44Å
59H98.3Very high94Very high2 Ų240.4 Ų40.41%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-141.4145.1178.3165.1-81.9000109.7C16 L19 L46 S76 V77 I78C16-H59 PolarHBondContact SG-CD2 3.38Å; L19-H59 HydrophobicContact CD2-CB 4.42Å; L46-H59 VanDerWaalsContact O-CA 3.32Å; L46-H59 WeakPolarHBondContact O-CA 3.46Å; H59-S76 PolarHBondContact ND1-O 3.45Å; H59-V77 CarbonylContact O-C 3.58Å; H59-V77 WeakPolarHBondContact O-CA 3.33Å; H59-I78 HydrophobicContact CB-CG2 3.85Å; H59-I78 PolarHBondContact N-O 2.98Å; H59-I78 PolarHBondContact O-N 2.99Å
60A98.1Very high93.8Very high0 Ų042.5 Ų42.50%024%0.239CC..EExtended strand (participates in β ladder)trans-145.2152.2165.400000108.9L46 I74 V77 L92L46-A60 PolarHBondContact N-O 2.92Å; L46-A60 PolarHBondContact O-N 3.33Å; A60-I74 HydrophobicContact CB-CD1 4.06Å; A60-I74 HydrophobicContact CB-CG1 4.31Å; A60-V77 HydrophobicContact CB-CG2 4.1Å; A60-L92 HydrophobicContact CB-CD1 4.17Å; A60-L92 HydrophobicContact CB-CD2 4.3Å; A60-L92 HydrophobicContact CB-CG 4.37Å
61R96.9Very high93.8Very high5 Ų542 Ų422%0.01924%0.235CC..EExtended strand (participates in β ladder)trans-120.6131.8177.7-177.5175.6-164.1149.311.5110.8S34 Q44 I74 E75 S135S34-R61 VanDerWaalsContact O-CZ 3.28Å; S34-R61 PolarHBondContact O-NH1 2.95Å; S34-R61 PolarHBondContact O-NH2 3.19Å; S34-R61 PolarHBondContact OG-NH1 3.24Å; Q44-R61 CarbonylContact O-C 3.5Å; Q44-R61 WeakPolarHBondContact O-CA 3.34Å; R61-I74 CarbonylContact O-C 3.59Å; R61-I74 VanDerWaalsContact O-CA 3.31Å; R61-I74 WeakPolarHBondContact O-CA 3.33Å; R61-E75 HydrophobicContact CB-CG 3.82Å; R61-E75 WeakPolarHBondContact CD-OE1 3.31Å; R61-E75 HydrophobicContact CG-CG 4.07Å; R61-E75 PolarHBondContact N-O 2.87Å; R61-E75 IonicContact NE-OE1 2.95Å; R61-E75 PolarHBondContact O-N 2.81Å; R61-S135 PolarHBondContact NE-OG 3.44Å; R61-S135 PolarHBondContact NH1-OG 3.05Å; R61-S135 PolarHBondContact NH2-OG 3.11Å
62L96.9Very high94Very high0 Ų039.9 Ų39.90%022%0.22CC..EExtended strand (participates in β ladder)trans-103.4134.2174-57.8-171.8000110.3F42 P43 Q44 L46 L73 I74 C96 F99 A100 M108F42-L62 HydrophobicContact CD1-CB 3.99Å; F42-L62 HydrophobicContact CE1-CB 3.67Å; F42-L62 HydrophobicContact CE1-CD1 4.19Å; P43-L62 CarbonylContact C-O 3.59Å; P43-L62 VanDerWaalsContact CA-O 3.27Å; P43-L62 WeakPolarHBondContact CA-O 3.24Å; Q44-L62 HydrophobicContact CB-CB 4.5Å; Q44-L62 PolarHBondContact N-O 2.94Å; Q44-L62 PolarHBondContact O-N 2.84Å; L46-L62 HydrophobicContact CD1-CD1 3.59Å; L46-L62 HydrophobicContact CD1-CG 3.78Å; L62-L73 CarbonylContact C-O 3.56Å; L62-L73 WeakPolarHBondContact CA-O 3.48Å; L62-I74 HydrophobicContact CD2-CB 3.88Å; L62-I74 HydrophobicContact CD2-CD1 4Å; L62-I74 HydrophobicContact CD2-CG1 3.81Å; L62-C96 HydrophobicContact CD2-CB 4.48Å; L62-F99 HydrophobicContact CD1-CD1 3.72Å; L62-F99 HydrophobicContact CD1-CE1 4.13Å; L62-A100 HydrophobicContact CD1-CB 4.16Å; L62-M108 HydrophobicContact CD2-CE 3.65Å; L62-M108 HydrophobicContact CD2-SD 4.47Å
63C94.7Very high94.1Very high0 Ų035.5 Ų35.50%018%0.183CC..EExtended strand (participates in β ladder)trans-133.6141.3-179.7-72.30000109.8P43 L73 E75P43-C63 VanDerWaalsContact CB-SG 3.58Å; C63-L73 HydrophobicContact CB-CB 4.13Å; C63-L73 HydrophobicContact CB-CD2 4.13Å; C63-L73 HydrophobicContact CB-CG 4.43Å; C63-L73 PolarHBondContact N-O 2.93Å; C63-L73 PolarHBondContact O-N 2.96Å; C63-E75 PolarHBondContact SG-OE1 2.99Å
64P92.7Very high94.3Very high37 Ų3733.1 Ų33.124%0.2416%0.163CC..EExtended strand (participates in β ladder)trans-73.1153.1176.532.2-29.8000109.6F42F42-P64 HydrophobicContact CB-CG 4.17Å
65M91.3Very high94.4Very high2 Ų227.1 Ų27.11%0.0114%0.142CC..  trans-113.596.6172.5-67.9-176.657.200109.1Q67 Y68 L73 Y109 L130 T132M65-Q67 PolarHBondContact O-N 3.2Å; M65-Y68 HydrophobicContact CE-CD2 3.64Å; M65-Y68 HydrophobicContact CE-CE2 4.28Å; M65-Y68 HydrophobicContact CE-CG 4.39Å; M65-Y68 CarbonylContact O-C 3.04Å; M65-Y68 WeakPolarHBondContact O-CA 3.43Å; M65-Y68 PolarHBondContact O-N 2.97Å; M65-L73 HydrophobicContact CG-CB 3.99Å; M65-L73 HydrophobicContact SD-CB 4.05Å; M65-Y109 HydrophobicContact CE-CD1 4.4Å; M65-Y109 HydrophobicContact SD-CD1 4.1Å; M65-Y109 HydrophobicContact SD-CG 4.32Å; M65-L130 HydrophobicContact CE-CB 3.89Å; M65-L130 HydrophobicContact CE-CD1 3.95Å; M65-T132 HydrophobicContact CE-CG2 3.91Å; M65-T132 HydrophobicContact SD-CG2 4.27Å
66P86.7Confident94.4Very high41 Ų4125 Ų2527%0.26614%0.137SC..THydrogen-bonded Turntrans-59.2-26.8-173-24.933.5000114.5Y68 V133P66-Y68 VanDerWaalsContact C-N 3.3Å; P66-V133 HydrophobicContact CG-CG2 4.06Å
67Q84.4Confident94.4Very high49 Ų4925.5 Ų25.523%0.22914%0.14CC..THydrogen-bonded Turntrans-79.6-15.2177.1-5775.144.800112.7M65 L149M65-Q67 PolarHBondContact O-N 3.2Å; Q67-L149 HydrophobicContact CG-CB 4.38Å; Q67-L149 VanDerWaalsContact NE2-CD1 3.31Å
68Y90.2Very high94.4Very high64 Ų6425.9 Ų25.925%0.25114%0.142SC..  trans-139.876.8-175.5-57.5-81.3000109M65 P66 T70 Y71 L130M65-Y68 HydrophobicContact CE-CD2 3.64Å; M65-Y68 HydrophobicContact CE-CE2 4.28Å; M65-Y68 HydrophobicContact CE-CG 4.39Å; M65-Y68 CarbonylContact O-C 3.04Å; M65-Y68 WeakPolarHBondContact O-CA 3.43Å; M65-Y68 PolarHBondContact O-N 2.97Å; P66-Y68 VanDerWaalsContact C-N 3.3Å; Y68-T70 PolarHBondContact O-N 3.39Å; Y68-T70 VanDerWaalsContact O-N 3.08Å; Y68-Y71 HydrophobicContact CG-CD2 4.44Å; Y68-Y71 WeakPolarHBondContact O-CA 3.46Å; Y68-Y71 WeakPolarHBondContact O-CB 3.47Å; Y68-Y71 PolarHBondContact O-N 3.39Å; Y68-L130 HydrophobicContact CD2-CD1 4.44Å; Y68-L130 HydrophobicContact CE1-CD2 4.35Å; Y68-L130 HydrophobicContact CE2-CB 4.17Å; Y68-L130 HydrophobicContact CE2-CD1 4.35Å; Y68-L130 HydrophobicContact CE2-CD2 4.23Å; Y68-L130 HydrophobicContact CE2-CG 4.48Å
69P90.9Very high94.4Very high105 Ų10526.6 Ų26.668%0.68215%0.146SC*.THydrogen-bonded Turntrans-57.3-28.9-170.4-27.335.8000114.9Y71 Y105P69-Y71 VanDerWaalsContact C-N 3.28Å; P69-Y71 PolarHBondContact O-N 3.38Å; P69-Y105 WeakPolarHBondContact O-CE1 3.17Å
70T93.6Very high94.3Very high49 Ų4927.8 Ų27.830%0.30115%0.151SC..THydrogen-bonded Turntrans-82.3-1.9177.259.40000113.6Y68 C106 Y107Y68-T70 PolarHBondContact O-N 3.39Å; Y68-T70 VanDerWaalsContact O-N 3.08Å; T70-C106 PolarHBondContact O-N 3.04Å; T70-Y107 PolarHBondContact O-N 3.46Å
71Y95Very high94.1Very high55 Ų5530.7 Ų30.722%0.21617%0.17CC..EExtended strand (participates in β ladder)trans-107.5133.7-178.1-71.5-118.5000111.4Y68 P69 Y105 Y107 L130 V198Y68-Y71 HydrophobicContact CG-CD2 4.44Å; Y68-Y71 WeakPolarHBondContact O-CA 3.46Å; Y68-Y71 WeakPolarHBondContact O-CB 3.47Å; Y68-Y71 PolarHBondContact O-N 3.39Å; P69-Y71 VanDerWaalsContact C-N 3.28Å; P69-Y71 PolarHBondContact O-N 3.38Å; Y71-Y105 VanDerWaalsContact C-CD1 3.42Å; Y71-Y105 WeakPolarHBondContact O-CD1 3.2Å; Y71-Y105 WeakPolarHBondContact O-CE1 3.43Å; Y71-Y107 CarbonylContact C-O 3.58Å; Y71-Y107 WeakPolarHBondContact CA-O 3.37Å; Y71-Y107 HydrophobicContact CD1-CG 4.36Å; Y71-Y107 HydrophobicContact CD2-CD2 4.02Å; Y71-Y107 HydrophobicContact CD2-CG 4.33Å; Y71-Y107 HydrophobicContact CE1-CD2 4.49Å; Y71-Y107 HydrophobicContact CE1-CG 4.01Å; Y71-Y107 AromaticContact CE2-CD2 3.62Å; Y71-Y107 HydrophobicContact CE2-CD2 3.62Å; Y71-Y107 HydrophobicContact CE2-CE2 4.29Å; Y71-Y107 AromaticContact CE2-CG 3.99Å; Y71-Y107 HydrophobicContact CE2-CG 3.99Å; Y71-Y107 AromaticContact CZ-CD2 3.87Å; Y71-Y107 AromaticContact CZ-CG 3.81Å; Y71-L130 HydrophobicContact CD1-CD1 4.1Å; Y71-L130 HydrophobicContact CE1-CD1 4.07Å; Y71-V198 HydrophobicContact CD1-CG2 4.42Å; Y71-V198 HydrophobicContact CE1-CG2 3.89Å
72C95.7Very high94Very high0 Ų036 Ų360%020%0.203CC..EExtended strand (participates in β ladder)trans-108.6127.5169.9-168.50000109.8A100 Y105 Y107 M108 Y109C72-A100 HydrophobicContact CB-CB 4.39Å; C72-Y105 HydrophobicContact CB-CD1 3.72Å; C72-Y105 HydrophobicContact CB-CD2 4.06Å; C72-Y105 HydrophobicContact CB-CE1 4.1Å; C72-Y105 HydrophobicContact CB-CE2 4.45Å; C72-Y105 HydrophobicContact CB-CG 3.67Å; C72-Y107 PolarHBondContact N-O 2.92Å; C72-M108 HydrophobicContact CB-CE 4.44Å; C72-M108 CarbonylContact O-C 3.54Å; C72-M108 WeakPolarHBondContact O-CA 3.33Å; C72-Y109 PolarHBondContact O-N 2.84Å
73L96.7Very high93.8Very high7 Ų736.8 Ų36.84%0.03721%0.207CC..EExtended strand (participates in β ladder)trans-79.2127.9169.4170.968.3000109L62 C63 M65 Y109 T132L62-L73 CarbonylContact C-O 3.56Å; L62-L73 WeakPolarHBondContact CA-O 3.48Å; C63-L73 HydrophobicContact CB-CB 4.13Å; C63-L73 HydrophobicContact CB-CD2 4.13Å; C63-L73 HydrophobicContact CB-CG 4.43Å; C63-L73 PolarHBondContact N-O 2.93Å; C63-L73 PolarHBondContact O-N 2.96Å; M65-L73 HydrophobicContact CG-CB 3.99Å; M65-L73 HydrophobicContact SD-CB 4.05Å; L73-Y109 WeakPolarHBondContact CA-O 3.43Å; L73-Y109 HydrophobicContact CD1-CD1 3.81Å; L73-Y109 HydrophobicContact CD1-CE1 4.29Å; L73-T132 HydrophobicContact CD1-CG2 4.1Å; L73-T132 HydrophobicContact CD2-CG2 4.24Å
74I97.4Very high93.7Very high4 Ų441.2 Ų41.22%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-104.8127.4165.3-171.2168.9000110.5A60 R61 L62 V77 M93 C96 M108 Y109 L110A60-I74 HydrophobicContact CB-CD1 4.06Å; A60-I74 HydrophobicContact CB-CG1 4.31Å; R61-I74 CarbonylContact O-C 3.59Å; R61-I74 VanDerWaalsContact O-CA 3.31Å; R61-I74 WeakPolarHBondContact O-CA 3.33Å; L62-I74 HydrophobicContact CD2-CB 3.88Å; L62-I74 HydrophobicContact CD2-CD1 4Å; L62-I74 HydrophobicContact CD2-CG1 3.81Å; I74-V77 HydrophobicContact CD1-CG2 3.81Å; I74-V77 HydrophobicContact CG1-CG2 3.64Å; I74-M93 HydrophobicContact CD1-CE 3.97Å; I74-M93 HydrophobicContact CD1-SD 3.88Å; I74-M93 HydrophobicContact CG2-CE 4.43Å; I74-C96 HydrophobicContact CD1-CB 3.95Å; I74-M108 HydrophobicContact CB-CG 4.01Å; I74-M108 HydrophobicContact CB-SD 3.81Å; I74-M108 HydrophobicContact CD1-SD 3.86Å; I74-M108 HydrophobicContact CG1-SD 4.43Å; I74-M108 HydrophobicContact CG2-CG 3.65Å; I74-M108 HydrophobicContact CG2-SD 3.76Å; I74-Y109 PolarHBondContact N-O 2.83Å; I74-L110 HydrophobicContact CG2-CB 3.71Å; I74-L110 HydrophobicContact CG2-CD2 3.86Å; I74-L110 HydrophobicContact CG2-CG 4.42Å
75E95.2Very high93.7Very high53 Ų5347.7 Ų47.725%0.24826%0.256CS..EExtended strand (participates in β ladder)trans-136.2165.6-177.868.2-176.4172.900112.1R61 C63 V77 S135R61-E75 HydrophobicContact CB-CG 3.82Å; R61-E75 WeakPolarHBondContact CD-OE1 3.31Å; R61-E75 HydrophobicContact CG-CG 4.07Å; R61-E75 PolarHBondContact N-O 2.87Å; R61-E75 IonicContact NE-OE1 2.95Å; R61-E75 PolarHBondContact O-N 2.81Å; C63-E75 PolarHBondContact SG-OE1 2.99Å; E75-V77 VanDerWaalsContact C-N 3.26Å; E75-V77 PolarHBondContact O-N 2.78Å; E75-S135 PolarHBondContact OE1-OG 3.28Å; E75-S135 VanDerWaalsContact OE1-OG 3.11Å
76S94.7Very high93.7Very high40 Ų4051.9 Ų51.928%0.2829%0.285SS..EExtended strand (participates in β ladder)trans53.338.1176.5-55.70000114.6H59 I78H59-S76 PolarHBondContact ND1-O 3.45Å; S76-I78 PolarHBondContact O-N 3.34Å
77V97.3Very high94.1Very high23 Ų2352.3 Ų52.314%0.13930%0.297CS..EExtended strand (participates in β ladder)trans-73121178.3-176.10000110.1H59 A60 I74 E75 L92 M93H59-V77 CarbonylContact O-C 3.58Å; H59-V77 WeakPolarHBondContact O-CA 3.33Å; A60-V77 HydrophobicContact CB-CG2 4.1Å; I74-V77 HydrophobicContact CD1-CG2 3.81Å; I74-V77 HydrophobicContact CG1-CG2 3.64Å; E75-V77 VanDerWaalsContact C-N 3.26Å; E75-V77 PolarHBondContact O-N 2.78Å; V77-L92 HydrophobicContact CG1-CD2 3.97Å; V77-M93 HydrophobicContact CG1-SD 3.98Å; V77-M93 HydrophobicContact CG2-SD 4.22Å
78I97.4Very high94.7Very high8 Ų853 Ų534%0.04130%0.298CS..EExtended strand (participates in β ladder)trans-149.3144.1-177.8-172.5169.3000111.7L19 L20 Q23 W24 G58 H59 S76L19-I78 HydrophobicContact CD1-CD1 3.86Å; L19-I78 HydrophobicContact CD1-CG1 4.03Å; L19-I78 HydrophobicContact CD2-CG2 3.96Å; L19-I78 HydrophobicContact CG-CD1 4.08Å; L19-I78 HydrophobicContact CG-CG1 4.31Å; L19-I78 HydrophobicContact CG-CG2 3.95Å; L19-I78 WeakPolarHBondContact O-CD1 3.35Å; L20-I78 HydrophobicContact CD2-CG2 4.06Å; Q23-I78 HydrophobicContact CB-CD1 3.33Å; Q23-I78 HydrophobicContact CG-CD1 3.94Å; W24-I78 HydrophobicContact CH2-CB 4.49Å; W24-I78 HydrophobicContact CZ3-CB 4.22Å; W24-I78 HydrophobicContact CZ3-CD1 4.42Å; G58-I78 CarbonylContact C-O 3.51Å; G58-I78 WeakPolarHBondContact CA-O 3.44Å; H59-I78 HydrophobicContact CB-CG2 3.85Å; H59-I78 PolarHBondContact N-O 2.98Å; H59-I78 PolarHBondContact O-N 2.99Å; S76-I78 PolarHBondContact O-N 3.34Å
79I97.6Very high95Very high14 Ų1450.8 Ų50.87%0.07229%0.294CS..EExtended strand (participates in β ladder)trans-117.8139.9167.4-59.5-63.2000107.8L48 V57 M83 R84 R88 L92L48-I79 HydrophobicContact CD2-CD1 4.41Å; V57-I79 WeakPolarHBondContact O-CA 3.33Å; I79-M83 HydrophobicContact CG2-CB 4.38Å; I79-R84 HydrophobicContact CB-CG 4.14Å; I79-R84 HydrophobicContact CG2-CG 4.07Å; I79-R84 PolarHBondContact O-NE 3.32Å; I79-R84 PolarHBondContact O-NH2 3.31Å; I79-R88 HydrophobicContact CD1-CB 4.44Å; I79-R88 HydrophobicContact CG2-CB 4.46Å; I79-L92 HydrophobicContact CD1-CB 4.18Å; I79-L92 HydrophobicContact CD1-CD2 3.71Å
80E96.4Very high95.3Very high28 Ų2851.1 Ų51.113%0.13128%0.281CS..  trans-49.3127173.817862.5-145.800109.7L19 K22 V57 T82 M83 R84L19-E80 HydrophobicContact CD1-CB 4.2Å; L19-E80 WeakPolarHBondContact CD1-OE2 3.35Å; K22-E80 IonicContact NZ-OE1 3.75Å; K22-E80 PolarHBondContact NZ-OE1 2.93Å; K22-E80 IonicContact NZ-OE2 2.73Å; K22-E80 PolarHBondContact NZ-OE2 3.18Å; V57-E80 PolarHBondContact O-N 3.07Å; E80-T82 VanDerWaalsContact C-N 3.27Å; E80-T82 PolarHBondContact O-N 2.86Å; E80-T82 VanDerWaalsContact O-N 3.13Å; E80-M83 HydrophobicContact CB-CB 4.44Å; E80-M83 HydrophobicContact CB-CE 3.47Å; E80-M83 VanDerWaalsContact CB-CE 3.47Å; E80-M83 HydrophobicContact CG-CE 3.74Å; E80-M83 CarbonylContact O-C 3.57Å; E80-M83 WeakPolarHBondContact O-CA 3.44Å; E80-M83 PolarHBondContact O-N 3.32Å; E80-R84 PolarHBondContact O-N 2.99Å
81P94.7Very high95.5Very high60 Ų6052.8 Ų52.839%0.3929%0.285SS..G310 helixtrans-48.4-42.6-173.6-3336000115.5M83 R84P81-M83 PolarHBondContact O-N 3.21Å; P81-R84 PolarHBondContact O-N 2.97Å
82T94.2Very high95.6Very high117 Ų11750.2 Ų50.272%0.71827%0.274SS*.G310 helixtrans-69.5-11.4-179.458.20000113.8E80E80-T82 VanDerWaalsContact C-N 3.27Å; E80-T82 PolarHBondContact O-N 2.86Å; E80-T82 VanDerWaalsContact O-N 3.13Å
83M92.6Very high95.7Very high16 Ų1650.2 Ų50.28%0.07927%0.274CS..G310 helixtrans-118.111.6-174.6-57.6-167.1-70.300112.5Q55 L56 V57 I79 E80 P81 R88Q55-M83 HydrophobicContact CG-CE 4.4Å; L56-M83 WeakPolarHBondContact O-CE 3.28Å; V57-M83 HydrophobicContact CB-CE 4.04Å; V57-M83 HydrophobicContact CG1-CE 4.11Å; V57-M83 HydrophobicContact CG2-CE 3.88Å; V57-M83 HydrophobicContact CG2-SD 4.38Å; I79-M83 HydrophobicContact CG2-CB 4.38Å; E80-M83 HydrophobicContact CB-CB 4.44Å; E80-M83 HydrophobicContact CB-CE 3.47Å; E80-M83 VanDerWaalsContact CB-CE 3.47Å; E80-M83 HydrophobicContact CG-CE 3.74Å; E80-M83 CarbonylContact O-C 3.57Å; E80-M83 WeakPolarHBondContact O-CA 3.44Å; E80-M83 PolarHBondContact O-N 3.32Å; P81-M83 PolarHBondContact O-N 3.21Å; M83-R88 WeakPolarHBondContact O-CD 3.37Å; M83-R88 PolarHBondContact SD-NH1 3.44Å
84R93.6Very high95.8Very high93 Ų9352.5 Ų52.535%0.35129%0.287SS..THydrogen-bonded Turntrans-73.5166.9174.3-66.6178-175.5176.1-1111.1I79 E80 P81 C86I79-R84 HydrophobicContact CB-CG 4.14Å; I79-R84 HydrophobicContact CG2-CG 4.07Å; I79-R84 PolarHBondContact O-NE 3.32Å; I79-R84 PolarHBondContact O-NH2 3.31Å; E80-R84 PolarHBondContact O-N 2.99Å; P81-R84 PolarHBondContact O-N 2.97Å; R84-C86 PolarHBondContact O-N 3.17Å; R84-C86 PolarHBondContact O-SG 3.3Å
85N91.7Very high95.8Very high173 Ų17353.2 Ų53.293%0.92529%0.292SS*.THydrogen-bonded Turntrans61.610.2177.7-55.3-35.3000116.5
86C92.6Very high95.9Very high91 Ų9150.7 Ų50.762%0.61528%0.281SS*.SBendtrans-109.631.9177.1-57.80000113R84 R88R84-C86 PolarHBondContact O-N 3.17Å; R84-C86 PolarHBondContact O-SG 3.3Å; C86-R88 HydrophobicContact CB-CG 4.47Å; C86-R88 PolarHBondContact O-N 3.48Å
87G94.8Very high96.1Very high50 Ų5049.5 Ų49.552%0.51527%0.271SS..SBendtrans73.4-9.8-179.700000116.3G89 R90 F91G87-G89 VanDerWaalsContact C-N 3.33Å; G87-G89 PolarHBondContact O-N 2.99Å; G87-R90 WeakPolarHBondContact O-CB 3.4Å; G87-R90 PolarHBondContact O-N 3.43Å; G87-F91 PolarHBondContact O-N 3.22Å
88R96Very high96.1Very high64 Ų6454.3 Ų54.324%0.24229%0.291CS..Hα-helixtrans-62.4-34.2-175.6-57.6-178.2-177-163.14.2114.3M1 V57 I79 M83 C86 R90 F91 L92M1-R88 HydrophobicContact CE-CG 3.95Å; M1-R88 VanDerWaalsContact CE-CZ 3.44Å; V57-R88 HydrophobicContact CG1-CB 4.35Å; I79-R88 HydrophobicContact CD1-CB 4.44Å; I79-R88 HydrophobicContact CG2-CB 4.46Å; M83-R88 WeakPolarHBondContact O-CD 3.37Å; M83-R88 PolarHBondContact SD-NH1 3.44Å; C86-R88 HydrophobicContact CB-CG 4.47Å; C86-R88 PolarHBondContact O-N 3.48Å; R88-R90 VanDerWaalsContact C-N 3.34Å; R88-F91 PolarHBondContact O-N 3.18Å; R88-L92 WeakPolarHBondContact O-CB 3.46Å; R88-L92 PolarHBondContact O-N 3.39Å
89G96.7Very high96.1Very high16 Ų1655.1 Ų55.117%0.16530%0.295CS..Hα-helixtrans-64.9-38.3174.100000112.5G87 L92 M93G87-G89 VanDerWaalsContact C-N 3.33Å; G87-G89 PolarHBondContact O-N 2.99Å; G89-L92 PolarHBondContact O-N 2.96Å; G89-M93 WeakPolarHBondContact O-CG 3.42Å; G89-M93 PolarHBondContact O-N 2.88Å; G89-M93 VanDerWaalsContact O-N 3.11Å
90R97Very high96Very high113 Ų11354.5 Ų54.543%0.42629%0.291SS..Hα-helixtrans-67.1-46.1175.2177.462.2-168.5-80.2-12.7110.7G87 R88 L92 M93 D94G87-R90 WeakPolarHBondContact O-CB 3.4Å; G87-R90 PolarHBondContact O-N 3.43Å; R88-R90 VanDerWaalsContact C-N 3.34Å; R90-L92 VanDerWaalsContact C-N 3.31Å; R90-L92 PolarHBondContact O-N 2.8Å; R90-M93 PolarHBondContact O-N 3.43Å; R90-D94 IonicContact CZ-OD1 3.52Å; R90-D94 IonicContact CZ-OD2 3.57Å; R90-D94 VanDerWaalsContact NE-CG 3.27Å; R90-D94 IonicContact NE-OD1 2.79Å; R90-D94 PolarHBondContact NE-OD1 3.49Å; R90-D94 IonicContact NE-OD2 2.97Å; R90-D94 PolarHBondContact NE-OD2 3.04Å; R90-D94 IonicContact NH2-OD1 3.33Å; R90-D94 PolarHBondContact NH2-OD1 2.96Å; R90-D94 IonicContact NH2-OD2 3.46Å; R90-D94 PolarHBondContact NH2-OD2 3.07Å; R90-D94 PolarHBondContact O-N 3.17Å
91F97.5Very high96Very high84 Ų8454.3 Ų54.337%0.36830%0.295SS..Hα-helixtrans-56.5-43.8175-176.7-84.8000112.3M1 L48 G87 R88 S95M1-F91 HydrophobicContact CB-CD1 4.13Å; M1-F91 HydrophobicContact CB-CE1 3.64Å; M1-F91 HydrophobicContact CB-CZ 3.85Å; L48-F91 HydrophobicContact CD1-CD1 3.6Å; L48-F91 HydrophobicContact CD1-CE1 3.53Å; L48-F91 HydrophobicContact CD2-CD1 4.27Å; G87-F91 PolarHBondContact O-N 3.22Å; R88-F91 PolarHBondContact O-N 3.18Å; F91-S95 WeakPolarHBondContact CE1-OG 3.32Å; F91-S95 VanDerWaalsContact O-CB 3.3Å; F91-S95 WeakPolarHBondContact O-CB 3.36Å; F91-S95 PolarHBondContact O-N 2.89Å; F91-S95 PolarHBondContact O-OG 3.22Å
92L98.1Very high96Very high0 Ų057.8 Ų57.80%031%0.306CS..Hα-helixtrans-58.1-50.3175.4174.461.7000111.2L3 L48 A60 V77 I79 R88 G89 R90 S95 C96L3-L92 HydrophobicContact CD1-CD1 3.72Å; L48-L92 HydrophobicContact CB-CD1 4.24Å; L48-L92 HydrophobicContact CD2-CB 4.31Å; A60-L92 HydrophobicContact CB-CD1 4.17Å; A60-L92 HydrophobicContact CB-CD2 4.3Å; A60-L92 HydrophobicContact CB-CG 4.37Å; V77-L92 HydrophobicContact CG1-CD2 3.97Å; I79-L92 HydrophobicContact CD1-CB 4.18Å; I79-L92 HydrophobicContact CD1-CD2 3.71Å; R88-L92 WeakPolarHBondContact O-CB 3.46Å; R88-L92 PolarHBondContact O-N 3.39Å; G89-L92 PolarHBondContact O-N 2.96Å; R90-L92 VanDerWaalsContact C-N 3.31Å; R90-L92 PolarHBondContact O-N 2.8Å; L92-S95 PolarHBondContact O-N 3.15Å; L92-C96 WeakPolarHBondContact O-CB 3.32Å; L92-C96 PolarHBondContact O-N 3.13Å; L92-C96 PolarHBondContact O-SG 3.44Å
93M98.3Very high96Very high0 Ų056.4 Ų56.40%029%0.287CS..Hα-helixtrans-60.9-51.7179.1-69.3-59.6-58.300111.6I74 V77 G89 R90 S95 C96 E97 L110 F118 Y119 Y124I74-M93 HydrophobicContact CD1-CE 3.97Å; I74-M93 HydrophobicContact CD1-SD 3.88Å; I74-M93 HydrophobicContact CG2-CE 4.43Å; V77-M93 HydrophobicContact CG1-SD 3.98Å; V77-M93 HydrophobicContact CG2-SD 4.22Å; G89-M93 WeakPolarHBondContact O-CG 3.42Å; G89-M93 PolarHBondContact O-N 2.88Å; G89-M93 VanDerWaalsContact O-N 3.11Å; R90-M93 PolarHBondContact O-N 3.43Å; M93-S95 VanDerWaalsContact C-N 3.25Å; M93-S95 PolarHBondContact O-N 3.06Å; M93-C96 PolarHBondContact O-N 3.11Å; M93-C96 VanDerWaalsContact O-N 3.12Å; M93-E97 WeakPolarHBondContact O-CB 3.42Å; M93-E97 WeakPolarHBondContact O-CG 3.45Å; M93-E97 PolarHBondContact O-N 2.81Å; M93-L110 HydrophobicContact CE-CD2 4.27Å; M93-F118 HydrophobicContact CG-CE1 3.95Å; M93-F118 HydrophobicContact CG-CZ 3.84Å; M93-Y119 HydrophobicContact CE-CD1 4.22Å; M93-Y119 HydrophobicContact CE-CE1 4.07Å; M93-Y119 HydrophobicContact SD-CE1 4.02Å; M93-Y124 HydrophobicContact CE-CE2 3.55Å; M93-Y124 WeakPolarHBondContact CE-OH 3.36Å
94D97.9Very high96.1Very high55 Ų5557.6 Ų57.629%0.29430%0.304SS..Hα-helixtrans-58-40.3-179.7-66.6-23.9000111.2R90 E97 Q98R90-D94 IonicContact CZ-OD1 3.52Å; R90-D94 IonicContact CZ-OD2 3.57Å; R90-D94 VanDerWaalsContact NE-CG 3.27Å; R90-D94 IonicContact NE-OD1 2.79Å; R90-D94 PolarHBondContact NE-OD1 3.49Å; R90-D94 IonicContact NE-OD2 2.97Å; R90-D94 PolarHBondContact NE-OD2 3.04Å; R90-D94 IonicContact NH2-OD1 3.33Å; R90-D94 PolarHBondContact NH2-OD1 2.96Å; R90-D94 IonicContact NH2-OD2 3.46Å; R90-D94 PolarHBondContact NH2-OD2 3.07Å; R90-D94 PolarHBondContact O-N 3.17Å; D94-E97 PolarHBondContact O-N 2.99Å; D94-Q98 WeakPolarHBondContact O-CB 3.49Å; D94-Q98 PolarHBondContact O-N 3.48Å
95S97.7Very high96.2Very high20 Ų2054.4 Ų54.414%0.1429%0.292CS..Hα-helixtrans-70.3-38.8178.2-56.70000112.2F91 L92 M93 F99F91-S95 WeakPolarHBondContact CE1-OG 3.32Å; F91-S95 VanDerWaalsContact O-CB 3.3Å; F91-S95 WeakPolarHBondContact O-CB 3.36Å; F91-S95 PolarHBondContact O-N 2.89Å; F91-S95 PolarHBondContact O-OG 3.22Å; L92-S95 PolarHBondContact O-N 3.15Å; M93-S95 VanDerWaalsContact C-N 3.25Å; M93-S95 PolarHBondContact O-N 3.06Å; S95-F99 WeakPolarHBondContact O-CB 3.5Å; S95-F99 PolarHBondContact O-N 2.9Å
96C98.1Very high96.5Very high0 Ų046.4 Ų46.40%025%0.25CS..Hα-helixtrans-65.7-40174.3-74.60000112.2L62 I74 L92 M93 F99 A100L62-C96 HydrophobicContact CD2-CB 4.48Å; I74-C96 HydrophobicContact CD1-CB 3.95Å; L92-C96 WeakPolarHBondContact O-CB 3.32Å; L92-C96 PolarHBondContact O-N 3.13Å; L92-C96 PolarHBondContact O-SG 3.44Å; M93-C96 PolarHBondContact O-N 3.11Å; M93-C96 VanDerWaalsContact O-N 3.12Å; C96-F99 PolarHBondContact O-N 2.86Å; C96-A100 WeakPolarHBondContact O-CB 3.44Å; C96-A100 PolarHBondContact O-N 3.27Å
97E97.9Very high96.7Very high15 Ų1545.1 Ų45.17%0.0723%0.233CC..Hα-helixtrans-62.6-49.4176.1-68.7168.4-174.200110.8M93 D94 F99 A100 A101 M108 Y124 K199 I201M93-E97 WeakPolarHBondContact O-CB 3.42Å; M93-E97 WeakPolarHBondContact O-CG 3.45Å; M93-E97 PolarHBondContact O-N 2.81Å; D94-E97 PolarHBondContact O-N 2.99Å; E97-F99 VanDerWaalsContact C-N 3.31Å; E97-F99 PolarHBondContact O-N 3.16Å; E97-A100 PolarHBondContact O-N 3.36Å; E97-A101 WeakPolarHBondContact O-CB 3.5Å; E97-A101 PolarHBondContact O-N 2.81Å; E97-M108 HydrophobicContact CG-SD 4Å; E97-Y124 WeakPolarHBondContact OE1-CE2 3.49Å; E97-K199 WeakPolarHBondContact OE1-CD 3.45Å; E97-K199 IonicContact OE1-NZ 3.74Å; E97-K199 PolarHBondContact OE1-NZ 3.13Å; E97-K199 WeakPolarHBondContact OE2-CE 3.44Å; E97-K199 IonicContact OE2-NZ 2.87Å; E97-K199 PolarHBondContact OE2-NZ 3.11Å; E97-I201 HydrophobicContact CB-CB 4.28Å; E97-I201 HydrophobicContact CB-CG2 3.84Å; E97-I201 HydrophobicContact CG-CG2 3.74Å
98Q97.1Very high96.8Very high124 Ų12442.7 Ų42.758%0.57921%0.208SC*.Hα-helixtrans-59.3-43.5175.9-173.6-179.619.600111.7D94 A100 A101 Q102D94-Q98 WeakPolarHBondContact O-CB 3.49Å; D94-Q98 PolarHBondContact O-N 3.48Å; Q98-A100 VanDerWaalsContact C-N 3.33Å; Q98-A100 PolarHBondContact O-N 3.12Å; Q98-A101 PolarHBondContact O-N 3.23Å; Q98-Q102 VanDerWaalsContact O-CG 3.31Å; Q98-Q102 WeakPolarHBondContact O-CG 3.28Å; Q98-Q102 PolarHBondContact O-N 2.87Å
99F96.8Very high96.9Very high25 Ų2540 Ų4011%0.1120%0.198CC..Hα-helixtrans-64.5-35.3179.7-179.6-82.8000112.9L3 P5 L46 L62 S95 C96 E97 R103L3-F99 HydrophobicContact CD2-CB 4.4Å; P5-F99 HydrophobicContact CG-CE2 4.19Å; P5-F99 HydrophobicContact CG-CZ 4.17Å; L46-F99 HydrophobicContact CD1-CD1 3.83Å; L46-F99 HydrophobicContact CD1-CE1 3.97Å; L46-F99 HydrophobicContact CD1-CG 4.27Å; L46-F99 HydrophobicContact CD2-CD1 4.33Å; L46-F99 HydrophobicContact CD2-CE1 3.76Å; L46-F99 HydrophobicContact CD2-CE2 4.02Å; L46-F99 HydrophobicContact CD2-CZ 3.57Å; L46-F99 HydrophobicContact CG-CE1 4.44Å; L62-F99 HydrophobicContact CD1-CD1 3.72Å; L62-F99 HydrophobicContact CD1-CE1 4.13Å; S95-F99 WeakPolarHBondContact O-CB 3.5Å; S95-F99 PolarHBondContact O-N 2.9Å; C96-F99 PolarHBondContact O-N 2.86Å; E97-F99 VanDerWaalsContact C-N 3.31Å; E97-F99 PolarHBondContact O-N 3.16Å; F99-R103 VanDerWaalsContact CE2-CZ 3.45Å; F99-R103 PolarHBondContact O-NH1 2.63Å
100A96.6Very high96.9Very high0 Ų039.3 Ų39.30%019%0.191CC..Hα-helixtrans-73.9-40.8173.700000112L62 C72 C96 E97 Q98 Q102 R103 G104 Y105 M108 I201L62-A100 HydrophobicContact CD1-CB 4.16Å; C72-A100 HydrophobicContact CB-CB 4.39Å; C96-A100 WeakPolarHBondContact O-CB 3.44Å; C96-A100 PolarHBondContact O-N 3.27Å; E97-A100 PolarHBondContact O-N 3.36Å; Q98-A100 VanDerWaalsContact C-N 3.33Å; Q98-A100 PolarHBondContact O-N 3.12Å; A100-Q102 VanDerWaalsContact C-N 3.33Å; A100-Q102 PolarHBondContact O-N 2.89Å; A100-R103 CarbonylContact O-C 3.52Å; A100-R103 WeakPolarHBondContact O-CA 3.47Å; A100-R103 PolarHBondContact O-N 2.85Å; A100-G104 PolarHBondContact O-N 2.81Å; A100-Y105 HydrophobicContact CB-CD2 4.33Å; A100-Y105 WeakPolarHBondContact O-CD2 3.42Å; A100-Y105 PolarHBondContact O-N 2.99Å; A100-M108 HydrophobicContact CB-CE 3.46Å; A100-M108 VanDerWaalsContact CB-CE 3.46Å; A100-I201 HydrophobicContact CB-CD1 3.65Å
101A96.5Very high96.8Very high25 Ų2537.2 Ų37.221%0.20719%0.193CC..Hα-helixtrans-60.1-42.4176.300000111.7E97 Q98 R103 G104 Y105 I201E97-A101 WeakPolarHBondContact O-CB 3.5Å; E97-A101 PolarHBondContact O-N 2.81Å; Q98-A101 PolarHBondContact O-N 3.23Å; A101-R103 PolarHBondContact O-N 3.15Å; A101-R103 VanDerWaalsContact O-N 3.07Å; A101-G104 PolarHBondContact O-N 2.84Å; A101-Y105 WeakPolarHBondContact CA-O 3.37Å; A101-I201 HydrophobicContact CB-CD1 4.35Å; A101-I201 HydrophobicContact CB-CG1 4.46Å
102Q95.1Very high96.6Very high133 Ų13333.5 Ų33.562%0.62118%0.177SC*.THydrogen-bonded Turntrans-60.1-18173.6-73.7172.22.700114.2Q98 A100Q98-Q102 VanDerWaalsContact O-CG 3.31Å; Q98-Q102 WeakPolarHBondContact O-CG 3.28Å; Q98-Q102 PolarHBondContact O-N 2.87Å; A100-Q102 VanDerWaalsContact C-N 3.33Å; A100-Q102 PolarHBondContact O-N 2.89Å
103R94Very high96.3Very high87 Ų8743.5 Ų43.533%0.32822%0.215SC..THydrogen-bonded Turntrans-100.912.4177.3-69.5167.7168.257.811.5112.7F42 F99 A100 A101 Y105F42-R103 HydrophobicContact CE2-CB 4.19Å; F42-R103 HydrophobicContact CE2-CG 4.38Å; F42-R103 HydrophobicContact CZ-CB 4.17Å; F42-R103 HydrophobicContact CZ-CG 4.35Å; F99-R103 VanDerWaalsContact CE2-CZ 3.45Å; F99-R103 PolarHBondContact O-NH1 2.63Å; A100-R103 CarbonylContact O-C 3.52Å; A100-R103 WeakPolarHBondContact O-CA 3.47Å; A100-R103 PolarHBondContact O-N 2.85Å; A101-R103 PolarHBondContact O-N 3.15Å; A101-R103 VanDerWaalsContact O-N 3.07Å; R103-Y105 HydrophobicContact CB-CD2 4.18Å; R103-Y105 HydrophobicContact CB-CE2 4.28Å
104G94.7Very high95.6Very high42 Ų4251.1 Ų51.143%0.43325%0.251SS..THydrogen-bonded Turntrans86.89.9175.400000115.2A100 A101A100-G104 PolarHBondContact O-N 2.81Å; A101-G104 PolarHBondContact O-N 2.84Å
105Y95.8Very high95.3Very high25 Ų2552.4 Ų52.410%0.09826%0.263CS..  trans-83.1131.8174.5-66.4-79.3000111.3F42 P69 Y71 C72 A100 A101 R103 I201F42-Y105 HydrophobicContact CD2-CE2 4.38Å; F42-Y105 HydrophobicContact CE1-CE2 4.09Å; F42-Y105 AromaticContact CE2-CE2 3.54Å; F42-Y105 HydrophobicContact CE2-CE2 3.54Å; F42-Y105 HydrophobicContact CZ-CD2 4.14Å; F42-Y105 AromaticContact CZ-CE2 3.35Å; F42-Y105 HydrophobicContact CZ-CE2 3.35Å; P69-Y105 WeakPolarHBondContact O-CE1 3.17Å; Y71-Y105 VanDerWaalsContact C-CD1 3.42Å; Y71-Y105 WeakPolarHBondContact O-CD1 3.2Å; Y71-Y105 WeakPolarHBondContact O-CE1 3.43Å; C72-Y105 HydrophobicContact CB-CD1 3.72Å; C72-Y105 HydrophobicContact CB-CD2 4.06Å; C72-Y105 HydrophobicContact CB-CE1 4.1Å; C72-Y105 HydrophobicContact CB-CE2 4.45Å; C72-Y105 HydrophobicContact CB-CG 3.67Å; A100-Y105 HydrophobicContact CB-CD2 4.33Å; A100-Y105 WeakPolarHBondContact O-CD2 3.42Å; A100-Y105 PolarHBondContact O-N 2.99Å; A101-Y105 WeakPolarHBondContact CA-O 3.37Å; R103-Y105 HydrophobicContact CB-CD2 4.18Å; R103-Y105 HydrophobicContact CB-CE2 4.28Å; Y105-I201 WeakPolarHBondContact O-CD1 3.46Å; Y105-I201 WeakPolarHBondContact O-CG1 3.44Å
106C96.8Very high95.1Very high6 Ų655.5 Ų55.54%0.04128%0.275CS..  trans-93.3-26.5177.6-52.70000112.3T70 R200 I201 S202 D204T70-C106 PolarHBondContact O-N 3.04Å; C106-R200 CarbonylContact O-C 3.31Å; C106-R200 WeakPolarHBondContact O-CA 3.5Å; C106-I201 WeakPolarHBondContact O-CG1 3.25Å; C106-I201 PolarHBondContact O-N 3.37Å; C106-S202 PolarHBondContact O-N 2.85Å; C106-D204 PolarHBondContact SG-O 3.44Å
107Y97.4Very high95Very high63 Ų6357.3 Ų57.325%0.24729%0.294CS..EExtended strand (participates in β ladder)trans-128.2141.7-175.6-62-85.6000111.7T70 Y71 C72 V198 K199 R200T70-Y107 PolarHBondContact O-N 3.46Å; Y71-Y107 CarbonylContact C-O 3.58Å; Y71-Y107 WeakPolarHBondContact CA-O 3.37Å; Y71-Y107 HydrophobicContact CD1-CG 4.36Å; Y71-Y107 HydrophobicContact CD2-CD2 4.02Å; Y71-Y107 HydrophobicContact CD2-CG 4.33Å; Y71-Y107 HydrophobicContact CE1-CD2 4.49Å; Y71-Y107 HydrophobicContact CE1-CG 4.01Å; Y71-Y107 AromaticContact CE2-CD2 3.62Å; Y71-Y107 HydrophobicContact CE2-CD2 3.62Å; Y71-Y107 HydrophobicContact CE2-CE2 4.29Å; Y71-Y107 AromaticContact CE2-CG 3.99Å; Y71-Y107 HydrophobicContact CE2-CG 3.99Å; Y71-Y107 AromaticContact CZ-CD2 3.87Å; Y71-Y107 AromaticContact CZ-CG 3.81Å; C72-Y107 PolarHBondContact N-O 2.92Å; Y107-V198 HydrophobicContact CD1-CG2 4.16Å; Y107-K199 CarbonylContact C-O 3.54Å; Y107-K199 WeakPolarHBondContact CA-O 3.45Å; Y107-R200 HydrophobicContact CD1-CB 4.1Å; Y107-R200 HydrophobicContact CD1-CG 4.47Å; Y107-R200 HydrophobicContact CE1-CB 3.9Å; Y107-R200 HydrophobicContact CE1-CG 4.07Å
108M97.6Very high94.9Very high0 Ų058.9 Ų58.90%030%0.3CS..EExtended strand (participates in β ladder)trans-113.3129.7168.1-167.3163.5-81.900110.1L62 C72 I74 E97 A100 Y124 V198 K199 I201L62-M108 HydrophobicContact CD2-CE 3.65Å; L62-M108 HydrophobicContact CD2-SD 4.47Å; C72-M108 HydrophobicContact CB-CE 4.44Å; C72-M108 CarbonylContact O-C 3.54Å; C72-M108 WeakPolarHBondContact O-CA 3.33Å; I74-M108 HydrophobicContact CB-CG 4.01Å; I74-M108 HydrophobicContact CB-SD 3.81Å; I74-M108 HydrophobicContact CD1-SD 3.86Å; I74-M108 HydrophobicContact CG1-SD 4.43Å; I74-M108 HydrophobicContact CG2-CG 3.65Å; I74-M108 HydrophobicContact CG2-SD 3.76Å; E97-M108 HydrophobicContact CG-SD 4Å; A100-M108 HydrophobicContact CB-CE 3.46Å; A100-M108 VanDerWaalsContact CB-CE 3.46Å; M108-Y124 HydrophobicContact CB-CE1 4.32Å; M108-Y124 HydrophobicContact CG-CE1 4.39Å; M108-Y124 WeakPolarHBondContact CG-OH 3.27Å; M108-Y124 WeakPolarHBondContact O-CE1 3.4Å; M108-Y124 PolarHBondContact SD-OH 3.33Å; M108-V198 CarbonylContact O-C 3.59Å; M108-V198 WeakPolarHBondContact O-CA 3.23Å; M108-K199 PolarHBondContact N-O 3.45Å; M108-K199 PolarHBondContact O-N 3.41Å; M108-I201 HydrophobicContact CB-CD1 4.33Å; M108-I201 HydrophobicContact CB-CG2 3.83Å; M108-I201 HydrophobicContact CE-CD1 4.4Å
109Y97.6Very high95Very high6 Ų654.1 Ų54.12%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-118.4143.1-177.5175-91.6000110.6M65 C72 L73 I74 L130 T132 C196 M197M65-Y109 HydrophobicContact CE-CD1 4.4Å; M65-Y109 HydrophobicContact SD-CD1 4.1Å; M65-Y109 HydrophobicContact SD-CG 4.32Å; C72-Y109 PolarHBondContact O-N 2.84Å; L73-Y109 WeakPolarHBondContact CA-O 3.43Å; L73-Y109 HydrophobicContact CD1-CD1 3.81Å; L73-Y109 HydrophobicContact CD1-CE1 4.29Å; I74-Y109 PolarHBondContact N-O 2.83Å; Y109-L130 HydrophobicContact CD2-CD1 3.82Å; Y109-L130 HydrophobicContact CD2-CG 4.18Å; Y109-L130 HydrophobicContact CE1-CB 4.4Å; Y109-L130 HydrophobicContact CE2-CB 3.97Å; Y109-L130 HydrophobicContact CE2-CD1 3.95Å; Y109-L130 HydrophobicContact CE2-CG 3.77Å; Y109-L130 HydrophobicContact CG-CD1 4.35Å; Y109-L130 PolarHBondContact OH-N 3.11Å; Y109-T132 HydrophobicContact CD1-CG2 3.98Å; Y109-T132 HydrophobicContact CE1-CG2 3.6Å; Y109-C196 HydrophobicContact CE2-CB 3.88Å; Y109-C196 WeakPolarHBondContact OH-CB 3.46Å; Y109-C196 PolarHBondContact OH-SG 3.4Å; Y109-M197 WeakPolarHBondContact CA-O 3.33Å
110L96.8Very high95Very high3 Ų356.5 Ų56.52%0.01629%0.294CS..EExtended strand (participates in β ladder)trans-148.1164.8174.263.387.4000111.9I74 M93 T112 Y119 Y124 C196 M197I74-L110 HydrophobicContact CG2-CB 3.71Å; I74-L110 HydrophobicContact CG2-CD2 3.86Å; I74-L110 HydrophobicContact CG2-CG 4.42Å; M93-L110 HydrophobicContact CE-CD2 4.27Å; L110-T112 HydrophobicContact CD1-CG2 3.92Å; L110-Y119 HydrophobicContact CD1-CD1 4.22Å; L110-Y119 HydrophobicContact CD1-CD2 3.87Å; L110-Y119 HydrophobicContact CD1-CE1 4.34Å; L110-Y119 HydrophobicContact CD1-CE2 4.01Å; L110-Y119 HydrophobicContact CD1-CG 3.97Å; L110-Y119 HydrophobicContact CD2-CD1 3.33Å; L110-Y119 HydrophobicContact CD2-CD2 4.47Å; L110-Y119 HydrophobicContact CD2-CE1 3.4Å; L110-Y119 VanDerWaalsContact CD2-CE1 3.4Å; L110-Y119 HydrophobicContact CD2-CG 3.9Å; L110-Y119 HydrophobicContact CG-CD1 4.43Å; L110-Y124 HydrophobicContact CD2-CD1 3.79Å; L110-Y124 HydrophobicContact CD2-CE1 3.49Å; L110-Y124 VanDerWaalsContact CD2-CE1 3.49Å; L110-Y124 HydrophobicContact CD2-CE2 4.35Å; L110-Y124 HydrophobicContact CD2-CG 4.34Å; L110-Y124 HydrophobicContact CG-CD1 4.13Å; L110-Y124 HydrophobicContact CG-CE1 4.07Å; L110-C196 WeakPolarHBondContact O-CA 3.34Å; L110-M197 HydrophobicContact CD1-CB 4.08Å; L110-M197 HydrophobicContact CD1-CG 4.33Å; L110-M197 HydrophobicContact CG-CB 4.38Å; L110-M197 PolarHBondContact N-O 3.01Å; L110-M197 PolarHBondContact O-N 3.29Å
111S94.3Very high95Very high68 Ų6865 Ų6548%0.47633%0.326SS..EExtended strand (participates in β ladder)trans-123.6141.8166.971.40000110V195S111-V195 CarbonylContact C-O 3.6Å; S111-V195 WeakPolarHBondContact CA-O 3.22Å
112T93.8Very high95Very high7 Ų764 Ų644%0.04332%0.317CS..EExtended strand (participates in β ladder)trans-139.9130.1-175.8168.40000109.3L110 E114 Q116 Y119 P194 V195 M197L110-T112 HydrophobicContact CD1-CG2 3.92Å; T112-E114 PolarHBondContact OG1-N 2.95Å; T112-E114 PolarHBondContact OG1-O 3.07Å; T112-Q116 HydrophobicContact CG2-CB 4.44Å; T112-Y119 HydrophobicContact CG2-CD2 3.9Å; T112-Y119 HydrophobicContact CG2-CE2 4.22Å; T112-P194 CarbonylContact O-C 3.48Å; T112-P194 WeakPolarHBondContact O-CA 3.42Å; T112-V195 HydrophobicContact CG2-CB 4.35Å; T112-V195 WeakPolarHBondContact CG2-O 3.28Å; T112-V195 PolarHBondContact N-O 2.85Å; T112-V195 PolarHBondContact O-N 2.82Å; T112-M197 HydrophobicContact CG2-CG 4.35Å; T112-M197 HydrophobicContact CG2-SD 3.94Å
113R90.8Very high95.2Very high210 Ų21059.5 Ų59.579%0.79231%0.307SS*.SBendtrans-85.7-36.9168.5-65.8-176179.9-172.1-1.5111P194R113-P194 HydrophobicContact CG-CB 3.93Å
114E84.5Confident95.3Very high160 Ų16055.6 Ų55.675%0.74829%0.292SS*.SBendtrans-137.8140.7-175-63.3167.5-151.100106.3T112T112-E114 PolarHBondContact OG1-N 2.95Å; T112-E114 PolarHBondContact OG1-O 3.07Å
115C90.6Very high95.5Very high82 Ų8261.3 Ų61.355%0.55431%0.305SS*.  trans9217.8-174.2-50.80000117.3G117 F118 Y119C115-G117 PolarHBondContact O-N 2.97Å; C115-F118 HydrophobicContact CB-CB 4.16Å; C115-F118 WeakPolarHBondContact O-CB 3.37Å; C115-F118 PolarHBondContact O-N 2.73Å; C115-Y119 HydrophobicContact CB-CD2 4.47Å; C115-Y119 HydrophobicContact CB-CE2 4.16Å; C115-Y119 WeakPolarHBondContact O-CD2 3.39Å; C115-Y119 PolarHBondContact O-N 2.82Å
116Q94Very high95.5Very high85 Ų8563.7 Ų63.740%0.39733%0.325SS..Hα-helixtrans-49.8-42.6170.6-178.3-172.9-10.100112.6T112 F118 Y119 T120 C126 V195 M197T112-Q116 HydrophobicContact CG2-CB 4.44Å; Q116-F118 VanDerWaalsContact C-N 3.29Å; Q116-F118 PolarHBondContact O-N 2.98Å; Q116-Y119 PolarHBondContact O-N 3.07Å; Q116-T120 WeakPolarHBondContact O-CB 3.31Å; Q116-T120 PolarHBondContact O-N 2.97Å; Q116-T120 PolarHBondContact O-OG1 3.38Å; Q116-C126 PolarHBondContact NE2-SG 3.23Å; Q116-V195 HydrophobicContact CG-CG1 4.38Å; Q116-M197 HydrophobicContact CG-CE 4.17Å; Q116-M197 HydrophobicContact CG-SD 3.93Å
117G95.8Very high95.3Very high37 Ų3765.5 Ų65.538%0.38134%0.337SS..Hα-helixtrans-62.8-32.4178.800000113.7C115 R121C115-G117 PolarHBondContact O-N 2.97Å; G117-R121 WeakPolarHBondContact O-CG 3.49Å; G117-R121 PolarHBondContact O-N 3.19Å; G117-R121 PolarHBondContact O-NH1 2.73Å
118F96.7Very high95Very high49 Ų4964 Ų6422%0.21534%0.341CS..Hα-helixtrans-67.7-48.9174.3164.3-100.7000111.3M93 C115 Q116 T120 R121 C122M93-F118 HydrophobicContact CG-CE1 3.95Å; M93-F118 HydrophobicContact CG-CZ 3.84Å; C115-F118 HydrophobicContact CB-CB 4.16Å; C115-F118 WeakPolarHBondContact O-CB 3.37Å; C115-F118 PolarHBondContact O-N 2.73Å; Q116-F118 VanDerWaalsContact C-N 3.29Å; Q116-F118 PolarHBondContact O-N 2.98Å; F118-T120 VanDerWaalsContact C-N 3.31Å; F118-T120 PolarHBondContact O-N 3.29Å; F118-R121 WeakPolarHBondContact O-CB 3.34Å; F118-R121 PolarHBondContact O-N 3.14Å; F118-R121 VanDerWaalsContact O-N 3.14Å; F118-C122 PolarHBondContact O-N 2.96Å; F118-C122 VanDerWaalsContact O-N 3.09Å; F118-C122 PolarHBondContact O-SG 3Å
119Y97.8Very high94.7Very high24 Ų2468 Ų689%0.09437%0.367CS..Hα-helixtrans-66.1-34.8179.6-65.3-65.6000112.3M93 L110 T112 C115 Q116 R121 C122 G123 Y124 M197M93-Y119 HydrophobicContact CE-CD1 4.22Å; M93-Y119 HydrophobicContact CE-CE1 4.07Å; M93-Y119 HydrophobicContact SD-CE1 4.02Å; L110-Y119 HydrophobicContact CD1-CD1 4.22Å; L110-Y119 HydrophobicContact CD1-CD2 3.87Å; L110-Y119 HydrophobicContact CD1-CE1 4.34Å; L110-Y119 HydrophobicContact CD1-CE2 4.01Å; L110-Y119 HydrophobicContact CD1-CG 3.97Å; L110-Y119 HydrophobicContact CD2-CD1 3.33Å; L110-Y119 HydrophobicContact CD2-CD2 4.47Å; L110-Y119 HydrophobicContact CD2-CE1 3.4Å; L110-Y119 VanDerWaalsContact CD2-CE1 3.4Å; L110-Y119 HydrophobicContact CD2-CG 3.9Å; L110-Y119 HydrophobicContact CG-CD1 4.43Å; T112-Y119 HydrophobicContact CG2-CD2 3.9Å; T112-Y119 HydrophobicContact CG2-CE2 4.22Å; C115-Y119 HydrophobicContact CB-CD2 4.47Å; C115-Y119 HydrophobicContact CB-CE2 4.16Å; C115-Y119 WeakPolarHBondContact O-CD2 3.39Å; C115-Y119 PolarHBondContact O-N 2.82Å; Q116-Y119 PolarHBondContact O-N 3.07Å; Y119-R121 VanDerWaalsContact C-N 3.31Å; Y119-R121 PolarHBondContact O-N 2.93Å; Y119-C122 CarbonylContact O-C 3.5Å; Y119-C122 WeakPolarHBondContact O-CA 3.34Å; Y119-C122 WeakPolarHBondContact O-CB 3.48Å; Y119-C122 PolarHBondContact O-N 2.85Å; Y119-G123 PolarHBondContact O-N 3.34Å; Y119-Y124 WeakPolarHBondContact O-CB 3.37Å; Y119-Y124 PolarHBondContact O-N 3.37Å; Y119-M197 HydrophobicContact CG-SD 4.46Å
120T97.5Very high94.3Very high74 Ų7469.7 Ų69.745%0.45438%0.376SS..Hα-helixtrans-58.4-43.9172.2-54.30000111Q116 F118 C122 G123Q116-T120 WeakPolarHBondContact O-CB 3.31Å; Q116-T120 PolarHBondContact O-N 2.97Å; Q116-T120 PolarHBondContact O-OG1 3.38Å; F118-T120 VanDerWaalsContact C-N 3.31Å; F118-T120 PolarHBondContact O-N 3.29Å; T120-C122 VanDerWaalsContact C-N 3.25Å; T120-C122 PolarHBondContact O-N 3.1Å; T120-G123 PolarHBondContact O-N 3.5Å
121R96.9Very high93.7Very high178 Ų17872.1 Ų72.167%0.67239%0.389SS*.Hα-helixtrans-68.2-21.4174.2-70.2-171.9-59.3-895.3114G117 F118 Y119G117-R121 WeakPolarHBondContact O-CG 3.49Å; G117-R121 PolarHBondContact O-N 3.19Å; G117-R121 PolarHBondContact O-NH1 2.73Å; F118-R121 WeakPolarHBondContact O-CB 3.34Å; F118-R121 PolarHBondContact O-N 3.14Å; F118-R121 VanDerWaalsContact O-N 3.14Å; Y119-R121 VanDerWaalsContact C-N 3.31Å; Y119-R121 PolarHBondContact O-N 2.93Å
122C97.2Very high93.1Very high4 Ų471.6 Ų71.63%0.02738%0.383CS..THydrogen-bonded Turntrans-81.5-2.7170.6-58.30000112.3F118 Y119 T120 Y124 K199F118-C122 PolarHBondContact O-N 2.96Å; F118-C122 VanDerWaalsContact O-N 3.09Å; F118-C122 PolarHBondContact O-SG 3Å; Y119-C122 CarbonylContact O-C 3.5Å; Y119-C122 WeakPolarHBondContact O-CA 3.34Å; Y119-C122 WeakPolarHBondContact O-CB 3.48Å; Y119-C122 PolarHBondContact O-N 2.85Å; T120-C122 VanDerWaalsContact C-N 3.25Å; T120-C122 PolarHBondContact O-N 3.1Å; C122-Y124 HydrophobicContact CB-CD2 3.99Å; C122-Y124 HydrophobicContact CB-CE2 4.21Å; C122-K199 WeakPolarHBondContact O-CD 3.41Å; C122-K199 WeakPolarHBondContact O-CE 3.4Å; C122-K199 PolarHBondContact O-NZ 2.81Å
123G97.6Very high92.3Very high40 Ų4072 Ų7241%0.41239%0.385SS..THydrogen-bonded Turntrans95.27.5178.200000114.9Y119 T120Y119-G123 PolarHBondContact O-N 3.34Å; T120-G123 PolarHBondContact O-N 3.5Å
124Y98.1Very high91.5Very high4 Ų462.5 Ų62.52%0.01635%0.353CS..  trans-74.4143.2174.9-73.1-105.3000111.2M93 E97 M108 L110 Y119 C122 M197 K199M93-Y124 HydrophobicContact CE-CE2 3.55Å; M93-Y124 WeakPolarHBondContact CE-OH 3.36Å; E97-Y124 WeakPolarHBondContact OE1-CE2 3.49Å; M108-Y124 HydrophobicContact CB-CE1 4.32Å; M108-Y124 HydrophobicContact CG-CE1 4.39Å; M108-Y124 WeakPolarHBondContact CG-OH 3.27Å; M108-Y124 WeakPolarHBondContact O-CE1 3.4Å; M108-Y124 PolarHBondContact SD-OH 3.33Å; L110-Y124 HydrophobicContact CD2-CD1 3.79Å; L110-Y124 HydrophobicContact CD2-CE1 3.49Å; L110-Y124 VanDerWaalsContact CD2-CE1 3.49Å; L110-Y124 HydrophobicContact CD2-CE2 4.35Å; L110-Y124 HydrophobicContact CD2-CG 4.34Å; L110-Y124 HydrophobicContact CG-CD1 4.13Å; L110-Y124 HydrophobicContact CG-CE1 4.07Å; Y119-Y124 WeakPolarHBondContact O-CB 3.37Å; Y119-Y124 PolarHBondContact O-N 3.37Å; C122-Y124 HydrophobicContact CB-CD2 3.99Å; C122-Y124 HydrophobicContact CB-CE2 4.21Å; Y124-M197 HydrophobicContact CD1-CB 4.2Å; Y124-M197 WeakPolarHBondContact O-CE 3.44Å; Y124-K199 HydrophobicContact CD1-CB 3.72Å; Y124-K199 HydrophobicContact CD2-CB 4.03Å; Y124-K199 HydrophobicContact CD2-CD 3.99Å; Y124-K199 HydrophobicContact CE1-CB 3.77Å; Y124-K199 HydrophobicContact CE2-CB 4.07Å; Y124-K199 HydrophobicContact CE2-CD 3.84Å; Y124-K199 HydrophobicContact CG-CB 3.84Å
125K97.3Very high90.6Very high162 Ų16256 Ų5670%0.70433%0.325SS*.EExtended strand (participates in β ladder)trans-113.1143.4175.5-63179.5-179177.10109.8M197 V198K125-M197 CarbonylContact O-C 3.56Å; K125-M197 WeakPolarHBondContact O-CA 3.24Å; K125-V198 PolarHBondContact N-O 2.97Å; K125-V198 PolarHBondContact O-N 2.72Å
126C96Very high89.4Confident75 Ų7554.3 Ų54.351%0.50731%0.314SS..EExtended strand (participates in β ladder)trans-61.2139.3174.4-64.30000110.8Q116 C196Q116-C126 PolarHBondContact NE2-SG 3.23Å; C126-C196 WeakPolarHBondContact CA-O 3.13Å
127C94.1Very high87.7Confident44 Ų4450.5 Ų50.530%0.29730%0.297SS..EExtended strand (participates in β ladder)trans-138170.8176.6620000110.8C196 V198C127-C196 PolarHBondContact N-O 3.17Å; C127-V198 HydrophobicContact CB-CB 4.49Å; C127-V198 HydrophobicContact CB-CG1 3.83Å
128G90.9Very high86Confident32 Ų3255.3 Ų55.333%0.3331%0.312SS..PPolyproline II helixtrans-67154.617000000111.3L130G128-L130 PolarHBondContact O-N 3.35Å
129P90.5Very high84.2Confident83 Ų8359.3 Ų59.354%0.53934%0.335SS..PPolyproline II helixtrans-61.6132.4176.727.1-34.4000110.4
130L88.4Confident82.3Confident42 Ų4261.1 Ų61.122%0.2234%0.343CS..PPolyproline II helixtrans-100.8147.4167.4-58.9-177.2000109.3M65 Y68 Y71 Y109 G128 T132M65-L130 HydrophobicContact CE-CB 3.89Å; M65-L130 HydrophobicContact CE-CD1 3.95Å; Y68-L130 HydrophobicContact CD2-CD1 4.44Å; Y68-L130 HydrophobicContact CE1-CD2 4.35Å; Y68-L130 HydrophobicContact CE2-CB 4.17Å; Y68-L130 HydrophobicContact CE2-CD1 4.35Å; Y68-L130 HydrophobicContact CE2-CD2 4.23Å; Y68-L130 HydrophobicContact CE2-CG 4.48Å; Y71-L130 HydrophobicContact CD1-CD1 4.1Å; Y71-L130 HydrophobicContact CE1-CD1 4.07Å; Y109-L130 HydrophobicContact CD2-CD1 3.82Å; Y109-L130 HydrophobicContact CD2-CG 4.18Å; Y109-L130 HydrophobicContact CE1-CB 4.4Å; Y109-L130 HydrophobicContact CE2-CB 3.97Å; Y109-L130 HydrophobicContact CE2-CD1 3.95Å; Y109-L130 HydrophobicContact CE2-CG 3.77Å; Y109-L130 HydrophobicContact CG-CD1 4.35Å; Y109-L130 PolarHBondContact OH-N 3.11Å; G128-L130 PolarHBondContact O-N 3.35Å; L130-T132 PolarHBondContact O-N 3.08Å
131L84.9Confident80.3Confident55 Ų5561.8 Ų61.829%0.28834%0.344SS..PPolyproline II helixtrans-70.4121.2173.1-175.257.5000109.1L149L131-L149 HydrophobicContact CD2-CB 4.13Å; L131-L149 HydrophobicContact CD2-CD2 3.38Å; L131-L149 HydrophobicContact CD2-CG 4.32Å; L131-L149 HydrophobicContact CG-CD2 4.23Å
132T82.7Confident78.9Confident56 Ų5656.8 Ų56.834%0.34433%0.33SS..  trans-120.5130.817959.50000110M65 L73 Y109 L130M65-T132 HydrophobicContact CE-CG2 3.91Å; M65-T132 HydrophobicContact SD-CG2 4.27Å; L73-T132 HydrophobicContact CD1-CG2 4.1Å; L73-T132 HydrophobicContact CD2-CG2 4.24Å; Y109-T132 HydrophobicContact CD1-CG2 3.98Å; Y109-T132 HydrophobicContact CE1-CG2 3.6Å; L130-T132 PolarHBondContact O-N 3.08Å
133V76.8Confident77.4Confident17 Ų1762.6 Ų62.610%0.10336%0.357CS..  trans-93.2-3.7175.4-71.40000113.1P66 S136 F140 L149P66-V133 HydrophobicContact CG-CG2 4.06Å; V133-S136 WeakPolarHBondContact O-CB 3.17Å; V133-S136 PolarHBondContact O-N 2.84Å; V133-F140 HydrophobicContact CB-CD2 3.49Å; V133-F140 VanDerWaalsContact CB-CD2 3.49Å; V133-F140 HydrophobicContact CB-CE2 3.82Å; V133-F140 HydrophobicContact CB-CG 4.45Å; V133-F140 HydrophobicContact CG1-CB 4.3Å; V133-F140 HydrophobicContact CG1-CD2 3.31Å; V133-F140 HydrophobicContact CG1-CE2 3.65Å; V133-F140 HydrophobicContact CG1-CG 3.9Å; V133-F140 HydrophobicContact CG2-CD2 4.34Å; V133-L149 HydrophobicContact CG1-CD1 4.14Å
134G73.7Confident75.8Confident10 Ų1069.5 Ų69.510%0.10337%0.371CS..G310 helixtrans51.2-143.3179.300000112.6S136 G137G134-S136 PolarHBondContact O-N 3.06Å; G134-G137 PolarHBondContact O-N 3.11Å; G134-G137 VanDerWaalsContact O-N 3.11Å
135S64.5Low74.4Confident23 Ų2371 Ų7116%0.16138%0.38CS..G310 helixtrans-64.7-6176.1-56.60000114.9R61 E75R61-S135 PolarHBondContact NE-OG 3.44Å; R61-S135 PolarHBondContact NH1-OG 3.05Å; R61-S135 PolarHBondContact NH2-OG 3.11Å; E75-S135 PolarHBondContact OE1-OG 3.28Å; E75-S135 VanDerWaalsContact OE1-OG 3.11Å
136S65.6Low73Confident47 Ų4767 Ų6733%0.32936%0.363SS..G310 helixtrans-934.7175.5-61.70000112.5V133 G134 M138 L139 F140V133-S136 WeakPolarHBondContact O-CB 3.17Å; V133-S136 PolarHBondContact O-N 2.84Å; G134-S136 PolarHBondContact O-N 3.06Å; S136-M138 PolarHBondContact O-N 3.21Å; S136-M138 VanDerWaalsContact O-N 3.09Å; S136-L139 WeakPolarHBondContact O-CB 2.88Å; S136-L139 PolarHBondContact O-N 3.05Å; S136-F140 WeakPolarHBondContact O-CD2 3.49Å
137G59.6Low71.6Confident5 Ų570.1 Ų70.15%0.05237%0.368CS..G310 helixtrans-51.9-35-177.100000114.8G134 L139 F140G134-G137 PolarHBondContact O-N 3.11Å; G134-G137 VanDerWaalsContact O-N 3.11Å; G137-L139 VanDerWaalsContact C-N 3.26Å; G137-L139 PolarHBondContact O-N 2.78Å; G137-F140 PolarHBondContact O-N 2.93Å
138M59.8Low70.5Confident138 Ų13873.4 Ų73.468%0.6838%0.382SS*.G310 helixtrans-61.3-31.8176-65.1-176.475.100113.5S136 F140 N141S136-M138 PolarHBondContact O-N 3.21Å; S136-M138 VanDerWaalsContact O-N 3.09Å; M138-F140 PolarHBondContact O-N 2.9Å; M138-N141 PolarHBondContact O-N 3.16Å
139L57.6Low69.5Low133 Ų13372.9 Ų72.970%0.69637%0.371SS*.G310 helixtrans-69.4-18.2177-63.5178.1000112.5S136 G137S136-L139 WeakPolarHBondContact O-CB 2.88Å; S136-L139 PolarHBondContact O-N 3.05Å; G137-L139 VanDerWaalsContact C-N 3.26Å; G137-L139 PolarHBondContact O-N 2.78Å
140F57.8Low68.4Low62 Ų6271.1 Ų71.127%0.27236%0.364SS..G310 helixtrans-105.911.1-175.5-58.2-63.3000113.1V133 S136 G137 M138 D142 V145 L149V133-F140 HydrophobicContact CB-CD2 3.49Å; V133-F140 VanDerWaalsContact CB-CD2 3.49Å; V133-F140 HydrophobicContact CB-CE2 3.82Å; V133-F140 HydrophobicContact CB-CG 4.45Å; V133-F140 HydrophobicContact CG1-CB 4.3Å; V133-F140 HydrophobicContact CG1-CD2 3.31Å; V133-F140 HydrophobicContact CG1-CE2 3.65Å; V133-F140 HydrophobicContact CG1-CG 3.9Å; V133-F140 HydrophobicContact CG2-CD2 4.34Å; S136-F140 WeakPolarHBondContact O-CD2 3.49Å; G137-F140 PolarHBondContact O-N 2.93Å; M138-F140 PolarHBondContact O-N 2.9Å; F140-D142 PolarHBondContact O-N 3.22Å; F140-V145 HydrophobicContact CB-CB 4.49Å; F140-V145 HydrophobicContact CB-CG1 4.14Å; F140-V145 HydrophobicContact CD1-CB 4.12Å; F140-V145 HydrophobicContact CD1-CG1 3.25Å; F140-V145 HydrophobicContact CD1-CG2 4.41Å; F140-V145 HydrophobicContact CE1-CG1 3.98Å; F140-V145 HydrophobicContact CG-CG1 4.1Å; F140-L149 HydrophobicContact CB-CD1 4.08Å; F140-L149 HydrophobicContact CG-CD1 4.41Å
141N57.3Low67.5Low87 Ų8774.5 Ų74.547%0.46538%0.377SS..  trans-73.6-9.7172.8-81.8-4.9000113.2M138 E143 K146M138-N141 PolarHBondContact O-N 3.16Å; N141-E143 PolarHBondContact O-N 3.08Å; N141-K146 WeakPolarHBondContact O-CE 3.14Å
142D66.3Low66.4Low73 Ų7373.6 Ų73.639%0.3938%0.376SS..SBendtrans-63.7127.4169.3-171.1-57.5000109.9F140 R144 V145 K146F140-D142 PolarHBondContact O-N 3.22Å; D142-R144 PolarHBondContact O-N 3.29Å; D142-R144 VanDerWaalsContact O-N 3.11Å; D142-R144 VanDerWaalsContact OD1-CB 3.25Å; D142-R144 WeakPolarHBondContact OD1-CB 3.46Å; D142-R144 PolarHBondContact OD1-N 3.49Å; D142-R144 IonicContact OD1-NE 3.62Å; D142-V145 HydrophobicContact CB-CG2 4.24Å; D142-V145 PolarHBondContact O-N 2.87Å; D142-K146 PolarHBondContact O-N 2.88Å
143E67.1Low65.5Low126 Ų12672.2 Ų72.259%0.58937%0.37SS*.Hα-helixtrans-53.2-32.9-178.9-69.8-57.513300112.9N141 V145 K146 F147N141-E143 PolarHBondContact O-N 3.08Å; E143-V145 VanDerWaalsContact C-N 3.31Å; E143-V145 PolarHBondContact O-N 3.43Å; E143-K146 PolarHBondContact O-N 3.48Å; E143-K146 IonicContact OE1-NZ 3.31Å; E143-K146 PolarHBondContact OE1-NZ 3.17Å; E143-F147 WeakPolarHBondContact O-CB 3.18Å; E143-F147 PolarHBondContact O-N 3.44Å
144R62.7Low64.6Low186 Ų18677.1 Ų77.170%0.70239%0.392SS*.Hα-helixtrans-65.3-37.9176.5-68-178-93.1-163.6-10.6111.4D142 L148D142-R144 PolarHBondContact O-N 3.29Å; D142-R144 VanDerWaalsContact O-N 3.11Å; D142-R144 VanDerWaalsContact OD1-CB 3.25Å; D142-R144 WeakPolarHBondContact OD1-CB 3.46Å; D142-R144 PolarHBondContact OD1-N 3.49Å; D142-R144 IonicContact OD1-NE 3.62Å; R144-L148 WeakPolarHBondContact O-CG 3.44Å; R144-L148 PolarHBondContact O-N 3.34Å; R144-L148 VanDerWaalsContact O-N 3.11Å
145V69.1Low63.8Low36 Ų3681.7 Ų81.722%0.21841%0.41CS..Hα-helixtrans-76.6-38177.9-167.30000110.9F140 D142 E143 F147 L148 L149F140-V145 HydrophobicContact CB-CB 4.49Å; F140-V145 HydrophobicContact CB-CG1 4.14Å; F140-V145 HydrophobicContact CD1-CB 4.12Å; F140-V145 HydrophobicContact CD1-CG1 3.25Å; F140-V145 HydrophobicContact CD1-CG2 4.41Å; F140-V145 HydrophobicContact CE1-CG1 3.98Å; F140-V145 HydrophobicContact CG-CG1 4.1Å; D142-V145 HydrophobicContact CB-CG2 4.24Å; D142-V145 PolarHBondContact O-N 2.87Å; E143-V145 VanDerWaalsContact C-N 3.31Å; E143-V145 PolarHBondContact O-N 3.43Å; V145-F147 PolarHBondContact O-N 2.83Å; V145-L148 PolarHBondContact O-N 3.04Å; V145-L148 VanDerWaalsContact O-N 3.13Å; V145-L149 HydrophobicContact CG1-CD1 3.91Å; V145-L149 HydrophobicContact CG1-CG 4.01Å; V145-L149 WeakPolarHBondContact O-CB 3.45Å; V145-L149 VanDerWaalsContact O-CG 3.23Å; V145-L149 WeakPolarHBondContact O-CG 3.29Å; V145-L149 PolarHBondContact O-N 3.37Å
146K67.1Low63.4Low77 Ų7784.9 Ų84.934%0.33542%0.423SS..Hα-helixtrans-54.1-44.7170.7-66.9-176.3-171.7166.60111.4N141 D142 E143 L149 A150N141-K146 WeakPolarHBondContact O-CE 3.14Å; D142-K146 PolarHBondContact O-N 2.88Å; E143-K146 PolarHBondContact O-N 3.48Å; E143-K146 IonicContact OE1-NZ 3.31Å; E143-K146 PolarHBondContact OE1-NZ 3.17Å; K146-L149 PolarHBondContact O-N 3.49Å; K146-A150 WeakPolarHBondContact O-CB 3.28Å; K146-A150 PolarHBondContact O-N 2.81Å
147F68.2Low62.7Low141 Ų14188.8 Ų88.862%0.61844%0.436SS*.Hα-helixtrans-60.7-45.7176.1-178.6-98.5000112.7E143 V145 A150 K151E143-F147 WeakPolarHBondContact O-CB 3.18Å; E143-F147 PolarHBondContact O-N 3.44Å; V145-F147 PolarHBondContact O-N 2.83Å; F147-A150 PolarHBondContact O-N 3.18Å; F147-K151 WeakPolarHBondContact O-CB 3.38Å; F147-K151 PolarHBondContact O-N 2.8Å
148L69.8Low62.2Low112 Ų11295 Ų9559%0.58646%0.463SS*.Hα-helixtrans-63.4-43.2177-70.2172.7000112.2R144 V145 K151 S152R144-L148 WeakPolarHBondContact O-CG 3.44Å; R144-L148 PolarHBondContact O-N 3.34Å; R144-L148 VanDerWaalsContact O-N 3.11Å; V145-L148 PolarHBondContact O-N 3.04Å; V145-L148 VanDerWaalsContact O-N 3.13Å; L148-K151 PolarHBondContact O-N 3.28Å; L148-S152 PolarHBondContact O-N 3.45Å; L148-S152 VanDerWaalsContact O-N 3.09Å
149L69.7Low61.7Low21 Ų2195 Ų9511%0.1146%0.462CS..Hα-helixtrans-63.8-43.6177.3-65.6170.7000110.7Q67 L131 V133 F140 V145 K146 K151 S152 A153Q67-L149 HydrophobicContact CG-CB 4.38Å; Q67-L149 VanDerWaalsContact NE2-CD1 3.31Å; L131-L149 HydrophobicContact CD2-CB 4.13Å; L131-L149 HydrophobicContact CD2-CD2 3.38Å; L131-L149 HydrophobicContact CD2-CG 4.32Å; L131-L149 HydrophobicContact CG-CD2 4.23Å; V133-L149 HydrophobicContact CG1-CD1 4.14Å; F140-L149 HydrophobicContact CB-CD1 4.08Å; F140-L149 HydrophobicContact CG-CD1 4.41Å; V145-L149 HydrophobicContact CG1-CD1 3.91Å; V145-L149 HydrophobicContact CG1-CG 4.01Å; V145-L149 WeakPolarHBondContact O-CB 3.45Å; V145-L149 VanDerWaalsContact O-CG 3.23Å; V145-L149 WeakPolarHBondContact O-CG 3.29Å; V145-L149 PolarHBondContact O-N 3.37Å; K146-L149 PolarHBondContact O-N 3.49Å; L149-K151 PolarHBondContact O-N 2.99Å; L149-S152 PolarHBondContact O-N 3.41Å; L149-S152 PolarHBondContact O-OG 3.16Å; L149-A153 PolarHBondContact O-N 3.17Å; L149-A153 VanDerWaalsContact O-N 3.08Å
150A68.8Low61Low47 Ų4795.2 Ų95.239%0.38846%0.457SS..Hα-helixtrans-60.3-43.5175.900000112.1K146 F147 S152 A153 Q154K146-A150 WeakPolarHBondContact O-CB 3.28Å; K146-A150 PolarHBondContact O-N 2.81Å; F147-A150 PolarHBondContact O-N 3.18Å; A150-S152 VanDerWaalsContact C-N 3.32Å; A150-S152 PolarHBondContact O-N 3.4Å; A150-A153 PolarHBondContact O-N 2.97Å; A150-Q154 WeakPolarHBondContact O-CG 3.22Å; A150-Q154 PolarHBondContact O-N 3.3Å; A150-Q154 VanDerWaalsContact O-N 3.11Å
151K67.5Low60Low112 Ų11296.3 Ų96.349%0.48747%0.472SS..Hα-helixtrans-62.7-38.3177.4-161.9175.1-176.6179.30111.9F147 L148 L149 Q155F147-K151 WeakPolarHBondContact O-CB 3.38Å; F147-K151 PolarHBondContact O-N 2.8Å; L148-K151 PolarHBondContact O-N 3.28Å; L149-K151 PolarHBondContact O-N 2.99Å; K151-Q155 WeakPolarHBondContact O-CG 3.46Å; K151-Q155 PolarHBondContact O-N 3.32Å
152S62.9Low59.3Low37 Ų3796.8 Ų96.826%0.25948%0.477SS..Hα-helixtrans-67.6-36.6176.176.90000113L148 L149 A150 Q155 Q156L148-S152 PolarHBondContact O-N 3.45Å; L148-S152 VanDerWaalsContact O-N 3.09Å; L149-S152 PolarHBondContact O-N 3.41Å; L149-S152 PolarHBondContact O-OG 3.16Å; A150-S152 VanDerWaalsContact C-N 3.32Å; A150-S152 PolarHBondContact O-N 3.4Å; S152-Q155 PolarHBondContact O-N 3.39Å; S152-Q156 PolarHBondContact O-N 3.36Å
153A62.9Low58.3Low27 Ų2797.1 Ų97.122%0.22349%0.49CS..Hα-helixtrans-67-39.9177.500000111.8L149 A150 Q155 Q156 Q157L149-A153 PolarHBondContact O-N 3.17Å; L149-A153 VanDerWaalsContact O-N 3.08Å; A150-A153 PolarHBondContact O-N 2.97Å; A153-Q155 VanDerWaalsContact C-N 3.34Å; A153-Q155 PolarHBondContact O-N 3.45Å; A153-Q156 PolarHBondContact O-N 3.49Å; A153-Q157 PolarHBondContact O-N 3.29Å
154Q58.9Low57.3Low120 Ų120100.1 Ų100.156%0.56150%0.501SS*.Hα-helixtrans-62.5-39.1174.9-71.4177-1500112.4A150 Q156 Q157 Q158A150-Q154 WeakPolarHBondContact O-CG 3.22Å; A150-Q154 PolarHBondContact O-N 3.3Å; A150-Q154 VanDerWaalsContact O-N 3.11Å; Q154-Q156 PolarHBondContact O-N 3.47Å; Q154-Q157 PolarHBondContact O-N 3.27Å; Q154-Q158 PolarHBondContact O-N 2.89Å
155Q56.8Low56.4Low106 Ų10697.1 Ų97.150%0.49550%0.503SS..Hα-helixtrans-65.5-37.4177.6-73.1177.3-4.500112.6K151 S152 A153 Q157 Q158 Q159K151-Q155 WeakPolarHBondContact O-CG 3.46Å; K151-Q155 PolarHBondContact O-N 3.32Å; S152-Q155 PolarHBondContact O-N 3.39Å; A153-Q155 VanDerWaalsContact C-N 3.34Å; A153-Q155 PolarHBondContact O-N 3.45Å; Q155-Q157 VanDerWaalsContact C-N 3.32Å; Q155-Q157 PolarHBondContact O-N 3.47Å; Q155-Q158 PolarHBondContact O-N 3.09Å; Q155-Q159 PolarHBondContact O-N 3.29Å
156Q56.2Low55.1Low90 Ų90105.9 Ų105.942%0.42153%0.532SS..Hα-helixtrans-67.5-32.4176.4-68.4-178.81400112.5S152 A153 Q154 K160S152-Q156 PolarHBondContact O-N 3.36Å; A153-Q156 PolarHBondContact O-N 3.49Å; Q154-Q156 PolarHBondContact O-N 3.47Å; Q156-K160 PolarHBondContact O-N 2.95Å
157Q51.8Low53.8Low129 Ų129108.1 Ų108.160%0.60355%0.552SS**Hα-helixtrans-71.1-42.4172.6-81170.9-14.500111.9A153 Q154 Q155 Q159 K160 C161A153-Q157 PolarHBondContact O-N 3.29Å; Q154-Q157 PolarHBondContact O-N 3.27Å; Q155-Q157 VanDerWaalsContact C-N 3.32Å; Q155-Q157 PolarHBondContact O-N 3.47Å; Q157-Q159 PolarHBondContact O-N 3.07Å; Q157-K160 PolarHBondContact O-N 3.34Å; Q157-C161 PolarHBondContact O-N 3.26Å; Q157-C161 PolarHBondContact O-SG 3.33Å; Q157-C161 VanDerWaalsContact O-SG 3.36Å
158Q48.2Very low52.6Low134 Ų134109 Ų10963%0.62656%0.562SS**Hα-helixtrans-65.6-37.8176.7-78.4176.3-3.100112.7Q154 Q155 K160 C161 V162Q154-Q158 PolarHBondContact O-N 2.89Å; Q155-Q158 PolarHBondContact O-N 3.09Å; Q158-K160 VanDerWaalsContact C-N 3.35Å; Q158-K160 PolarHBondContact O-N 3.02Å; Q158-C161 PolarHBondContact O-N 3.48Å; Q158-C161 VanDerWaalsContact O-N 3.16Å; Q158-V162 WeakPolarHBondContact O-CG2 3.3Å; Q158-V162 PolarHBondContact O-N 3.36Å
159Q48.5Very low51.3Low140 Ų140115.7 Ų115.765%0.65458%0.579SS**Hα-helixtrans-66.6-32.9175.6-82.4171.2-16.600113.1Q155 Q157 V162 A163Q155-Q159 PolarHBondContact O-N 3.29Å; Q157-Q159 PolarHBondContact O-N 3.07Å; Q159-V162 PolarHBondContact O-N 2.98Å; Q159-A163 WeakPolarHBondContact O-CB 3.38Å; Q159-A163 PolarHBondContact O-N 3.24Å
160K43.2Very low49.8Very low136 Ų136118.4 Ų118.459%0.59161%0.613SS**Hα-helixtrans-66-36.2170.7-79.1-178.5177.5175.70112.5Q156 Q157 Q158 K164Q156-K160 PolarHBondContact O-N 2.95Å; Q157-K160 PolarHBondContact O-N 3.34Å; Q158-K160 VanDerWaalsContact C-N 3.35Å; Q158-K160 PolarHBondContact O-N 3.02Å; K160-K164 PolarHBondContact O-N 3.11Å
161C37.4Very low48.7Very low86 Ų86120.9 Ų120.958%0.58163%0.633SS**Hα-helixtrans-68.9-36.9174.9-63.20000112.1Q157 Q158 V165Q157-C161 PolarHBondContact O-N 3.26Å; Q157-C161 PolarHBondContact O-SG 3.33Å; Q157-C161 VanDerWaalsContact O-SG 3.36Å; Q158-C161 PolarHBondContact O-N 3.48Å; Q158-C161 VanDerWaalsContact O-N 3.16Å; C161-V165 VanDerWaalsContact O-CG2 3.3Å; C161-V165 WeakPolarHBondContact O-CG2 3.3Å
162V43.3Very low47.4Very low97 Ų97121.4 Ų121.459%0.58865%0.648SS**Hα-helixtrans-76.2-35.7179.6179.20000112.4Q158 Q159 K164 V165Q158-V162 WeakPolarHBondContact O-CG2 3.3Å; Q158-V162 PolarHBondContact O-N 3.36Å; Q159-V162 PolarHBondContact O-N 2.98Å; V162-K164 VanDerWaalsContact C-N 3.3Å; V162-K164 PolarHBondContact O-N 3.24Å; V162-V165 PolarHBondContact O-N 3.08Å
163A44.8Very low46.6Very low79 Ų79126.2 Ų126.265%0.65368%0.68SS**Hα-helixtrans-68.8-26.1177.400000113.3Q159Q159-A163 WeakPolarHBondContact O-CB 3.38Å; Q159-A163 PolarHBondContact O-N 3.24Å
164K45.1Very low45.9Very low190 Ų190130.6 Ų130.683%0.82671%0.709SS**THydrogen-bonded Turntrans-85-6.9-179-148.7173.6-176.5-177.70114.1K160 V162K160-K164 PolarHBondContact O-N 3.11Å; V162-K164 VanDerWaalsContact C-N 3.3Å; V162-K164 PolarHBondContact O-N 3.24Å
165V44.5Very low45.5Very low122 Ų122128.4 Ų128.474%0.73972%0.719SS**SBendtrans-100.9-3.7-175.3174.60000113.2C161 V162C161-V165 VanDerWaalsContact O-CG2 3.3Å; C161-V165 WeakPolarHBondContact O-CG2 3.3Å; V162-V165 PolarHBondContact O-N 3.08Å
166R40.7Very low45Very low220 Ų220130 Ų13083%0.8374%0.738SS**SBendtrans-109.259.4178.4-74.7-175.1166-178-3.3113
167T39.9Very low44.5Very low124 Ų124128.7 Ų128.776%0.76175%0.749SS**SBendtrans-152.7137159.3-39.40000109.3
168I43.1Very low44.4Very low159 Ų159128.7 Ų128.782%0.81576%0.76SS**  trans86.568.3168.1-33.1178.3000117.5
169R42.4Very low44.8Very low253 Ų253130.1 Ų130.196%0.95577%0.77SS**  trans-147.2110.3134.1-68-170.8177.3-176.9-2.8104.5
170G39.6Very low44.4Very low79 Ų79128.5 Ų128.581%0.81477%0.772SS**  cis105.995.848.200000106.9
171A45.8Very low44.5Very low98 Ų98131 Ų13181%0.8178%0.784SS**  trans-175.112215600000110.2
172P39.7Very low44.9Very low124 Ų124132.3 Ų132.381%0.80579%0.789SS**  trans-92.8147.8176.735.8-29.5000110.6
173C45.8Very low44.6Very low137 Ų137136.1 Ų136.193%0.92680%0.802SS**  trans-154.1144.8155.5-92.20000110.2
174S49.1Very low44.6Very low119 Ų119140.2 Ų140.283%0.83281%0.808SS**  trans-80.2154.6-161.445.20000116.5
175G49.7Very low44Very low74 Ų74136.2 Ų136.276%0.76380%0.803SS**  trans109.6131.4137.400000116.1
176P45.4Very low44Very low139 Ų139139.4 Ų139.490%0.90381%0.807SS**  trans-109156.9-151.837.9-25.5000114.2
177G46.8Very low44.2Very low64 Ų64135.8 Ų135.866%0.6680%0.802SS**  trans-143.6131.9162.100000109.7
178P48.6Very low44.1Very low129 Ų129134.1 Ų134.184%0.83880%0.796SS**  trans-87.9131.8-179.633.6-28.7000110.2
179I56.8Low44Very low163 Ų163132.6 Ų132.684%0.83679%0.793SS**  trans-137.5117.11615.9171.6000107.4
180P40.6Very low44.2Very low106 Ų106126.5 Ų126.569%0.68878%0.778SS**  trans-84.4173.6172.133.9-28.4000110.4
181F45.9Very low44.8Very low190 Ų190127.6 Ų127.683%0.83377%0.771SS**  trans83.392.7176.2-77.4-96.2000117.1
182T44.8Very low45.6Very low113 Ų113128.6 Ų128.669%0.69377%0.771SS**  163.7111.190.3-55.10000107.9Q184T182-Q184 PolarHBondContact O-N 3.09Å; T182-Q184 VanDerWaalsContact O-N 3.14Å
183M37.3Very low47.4Very low177 Ų177129.7 Ų129.787%0.87277%0.77SS**  trans-67.3107167.2-80.5-176.7108.100108.8
184Q44.2Very low49.4Very low165 Ų165125.4 Ų125.477%0.77174%0.74SS**  trans-105.693.9150.1-82.5-174.5-14.600107.8T182 K186T182-Q184 PolarHBondContact O-N 3.09Å; T182-Q184 VanDerWaalsContact O-N 3.14Å; Q184-K186 VanDerWaalsContact C-N 3.29Å; Q184-K186 PolarHBondContact O-N 3.23Å
185C34.3Very low51.4Low105 Ų105122 Ų12271%0.70971%0.714SS**  trans-60.795.7159.2-106.60000107.8I187C185-I187 PolarHBondContact O-N 3.41Å
186K43.1Very low53.6Low190 Ų190119 Ų11983%0.82668%0.681SS**  trans-67.192.3156.4-80.9179.9177.3175.70106.7Q184 S188Q184-K186 VanDerWaalsContact C-N 3.29Å; Q184-K186 PolarHBondContact O-N 3.23Å; K186-S188 PolarHBondContact O-N 3.46Å
187I44.5Very low56.1Low143 Ų143112.5 Ų112.573%0.73364%0.639SS**  trans-63.491160.2-66.4166.8000105.3C185 V189C185-I187 PolarHBondContact O-N 3.41Å; I187-V189 HydrophobicContact CG2-CG2 4.27Å; I187-V189 PolarHBondContact O-N 2.72Å; I187-V189 VanDerWaalsContact O-N 3.1Å
188S38.5Very low58.5Low90 Ų90110.9 Ų110.963%0.62962%0.616SS**  trans-68.5104163.9-177.20000105.7K186 I190K186-S188 PolarHBondContact O-N 3.46Å; S188-I190 PolarHBondContact O-N 3.37Å; S188-I190 WeakPolarHBondContact OG-CG1 3.36Å
189V42.1Very low60.8Low126 Ų126106.5 Ų106.576%0.76458%0.584SS**  trans-68.278.7167.5-163.60000105.9I187 P191I187-V189 HydrophobicContact CG2-CG2 4.27Å; I187-V189 PolarHBondContact O-N 2.72Å; I187-V189 VanDerWaalsContact O-N 3.1Å; V189-P191 WeakPolarHBondContact O-CD 3.41Å
190I46.3Very low62.7Low125 Ų125104.1 Ų104.164%0.64156%0.564SS**  trans-69.1111.9171.9-58.5174.7000104.6S188 C192S188-I190 PolarHBondContact O-N 3.37Å; S188-I190 WeakPolarHBondContact OG-CG1 3.36Å; I190-C192 PolarHBondContact O-N 2.99Å
191P52.1Low65.4Low103 Ų103100.5 Ų100.567%0.66954%0.539SS*.  trans-57.2117.3175.122.9-30.7000107.3V189 L193V189-P191 WeakPolarHBondContact O-CD 3.41Å; P191-L193 PolarHBondContact O-N 3.4Å
192C62Low67.6Low119 Ų11992.5 Ų92.580%0.80451%0.507SS*.  trans-54.5102.9-179.9-79.40000108.8I190I190-C192 PolarHBondContact O-N 2.99Å
193L77.1Confident69.3Low147 Ų14795.5 Ų95.577%0.7751%0.513SS*.PPolyproline II helixtrans-60.1140.3174.9-70.4172.3000108P191 V195P191-L193 PolarHBondContact O-N 3.4Å; L193-V195 PolarHBondContact O-N 2.87Å
194P87.6Confident70.8Confident47 Ų4793 Ų9331%0.30550%0.503SS..PPolyproline II helixtrans-58.3135.5177.626-34000110T112 R113 C196T112-P194 CarbonylContact O-C 3.48Å; T112-P194 WeakPolarHBondContact O-CA 3.42Å; R113-P194 HydrophobicContact CG-CB 3.93Å; P194-C196 PolarHBondContact O-N 3.37Å
195V92.2Very high71.5Confident46 Ų4691.9 Ų91.928%0.27950%0.502SS..EExtended strand (participates in β ladder)trans-73.2126.6174-1800000108S111 T112 Q116 L193 M197S111-V195 CarbonylContact C-O 3.6Å; S111-V195 WeakPolarHBondContact CA-O 3.22Å; T112-V195 HydrophobicContact CG2-CB 4.35Å; T112-V195 WeakPolarHBondContact CG2-O 3.28Å; T112-V195 PolarHBondContact N-O 2.85Å; T112-V195 PolarHBondContact O-N 2.82Å; Q116-V195 HydrophobicContact CG-CG1 4.38Å; L193-V195 PolarHBondContact O-N 2.87Å; V195-M197 HydrophobicContact CG1-CG 4.08Å
196C95.5Very high72.3Confident13 Ų1392.7 Ų92.79%0.08852%0.516CS..EExtended strand (participates in β ladder)trans-93.2137.2177-59.80000109.1Y109 L110 C126 C127 P194Y109-C196 HydrophobicContact CE2-CB 3.88Å; Y109-C196 WeakPolarHBondContact OH-CB 3.46Å; Y109-C196 PolarHBondContact OH-SG 3.4Å; L110-C196 WeakPolarHBondContact O-CA 3.34Å; C126-C196 WeakPolarHBondContact CA-O 3.13Å; C127-C196 PolarHBondContact N-O 3.17Å; P194-C196 PolarHBondContact O-N 3.37Å
197M97.4Very high73.7Confident1 Ų187.8 Ų87.81%0.00550%0.501CS..EExtended strand (participates in β ladder)trans-138.5149.5-176.8-50.4-175.174.400111.4Y109 L110 T112 Q116 Y119 Y124 K125 V195Y109-M197 WeakPolarHBondContact CA-O 3.33Å; L110-M197 HydrophobicContact CD1-CB 4.08Å; L110-M197 HydrophobicContact CD1-CG 4.33Å; L110-M197 HydrophobicContact CG-CB 4.38Å; L110-M197 PolarHBondContact N-O 3.01Å; L110-M197 PolarHBondContact O-N 3.29Å; T112-M197 HydrophobicContact CG2-CG 4.35Å; T112-M197 HydrophobicContact CG2-SD 3.94Å; Q116-M197 HydrophobicContact CG-CE 4.17Å; Q116-M197 HydrophobicContact CG-SD 3.93Å; Y119-M197 HydrophobicContact CG-SD 4.46Å; Y124-M197 HydrophobicContact CD1-CB 4.2Å; Y124-M197 WeakPolarHBondContact O-CE 3.44Å; K125-M197 CarbonylContact O-C 3.56Å; K125-M197 WeakPolarHBondContact O-CA 3.24Å; V195-M197 HydrophobicContact CG1-CG 4.08Å
198V97.4Very high75.3Confident30 Ų3084.9 Ų84.918%0.18249%0.489CS..EExtended strand (participates in β ladder)trans-136147.1-179.366.30000111Y71 Y107 M108 K125 C127Y71-V198 HydrophobicContact CD1-CG2 4.42Å; Y71-V198 HydrophobicContact CE1-CG2 3.89Å; Y107-V198 HydrophobicContact CD1-CG2 4.16Å; M108-V198 CarbonylContact O-C 3.59Å; M108-V198 WeakPolarHBondContact O-CA 3.23Å; K125-V198 PolarHBondContact N-O 2.97Å; K125-V198 PolarHBondContact O-N 2.72Å; C127-V198 HydrophobicContact CB-CB 4.49Å; C127-V198 HydrophobicContact CB-CG1 3.83Å
199K97.6Very high77.3Confident38 Ų3884.6 Ų84.617%0.16548%0.481CS..EExtended strand (participates in β ladder)trans-135.1139.6171.8-176.7179.8170.9-177.90109.4E97 Y107 M108 C122 Y124 I201E97-K199 WeakPolarHBondContact OE1-CD 3.45Å; E97-K199 IonicContact OE1-NZ 3.74Å; E97-K199 PolarHBondContact OE1-NZ 3.13Å; E97-K199 WeakPolarHBondContact OE2-CE 3.44Å; E97-K199 IonicContact OE2-NZ 2.87Å; E97-K199 PolarHBondContact OE2-NZ 3.11Å; Y107-K199 CarbonylContact C-O 3.54Å; Y107-K199 WeakPolarHBondContact CA-O 3.45Å; M108-K199 PolarHBondContact N-O 3.45Å; M108-K199 PolarHBondContact O-N 3.41Å; C122-K199 WeakPolarHBondContact O-CD 3.41Å; C122-K199 WeakPolarHBondContact O-CE 3.4Å; C122-K199 PolarHBondContact O-NZ 2.81Å; Y124-K199 HydrophobicContact CD1-CB 3.72Å; Y124-K199 HydrophobicContact CD2-CB 4.03Å; Y124-K199 HydrophobicContact CD2-CD 3.99Å; Y124-K199 HydrophobicContact CE1-CB 3.77Å; Y124-K199 HydrophobicContact CE2-CB 4.07Å; Y124-K199 HydrophobicContact CE2-CD 3.84Å; Y124-K199 HydrophobicContact CG-CB 3.84Å; K199-I201 HydrophobicContact CG-CG2 4.41Å
200R97.1Very high79.4Confident113 Ų11382.2 Ų82.243%0.42646%0.464SS..EExtended strand (participates in β ladder)trans-78.8125.9166.6-174174.4-175.9149.55.2107.9C106 Y107 S202 E203 D205C106-R200 CarbonylContact O-C 3.31Å; C106-R200 WeakPolarHBondContact O-CA 3.5Å; Y107-R200 HydrophobicContact CD1-CB 4.1Å; Y107-R200 HydrophobicContact CD1-CG 4.47Å; Y107-R200 HydrophobicContact CE1-CB 3.9Å; Y107-R200 HydrophobicContact CE1-CG 4.07Å; R200-S202 VanDerWaalsContact CG-O 3.28Å; R200-S202 WeakPolarHBondContact CG-O 3.34Å; R200-S202 PolarHBondContact NE-O 3.31Å; R200-E203 PolarHBondContact NH2-O 2.93Å; R200-D205 IonicContact CZ-OD1 3.92Å; R200-D205 IonicContact NH2-OD1 3.38Å; R200-D205 PolarHBondContact NH2-OD1 3.11Å
201I96.7Very high81.5Confident30 Ų3079.5 Ų79.515%0.15445%0.453CS..  trans-114.2-15.1-173.660.4167.3000113.3E97 A100 A101 Y105 C106 M108 K199E97-I201 HydrophobicContact CB-CB 4.28Å; E97-I201 HydrophobicContact CB-CG2 3.84Å; E97-I201 HydrophobicContact CG-CG2 3.74Å; A100-I201 HydrophobicContact CB-CD1 3.65Å; A101-I201 HydrophobicContact CB-CD1 4.35Å; A101-I201 HydrophobicContact CB-CG1 4.46Å; Y105-I201 WeakPolarHBondContact O-CD1 3.46Å; Y105-I201 WeakPolarHBondContact O-CG1 3.44Å; C106-I201 WeakPolarHBondContact O-CG1 3.25Å; C106-I201 PolarHBondContact O-N 3.37Å; M108-I201 HydrophobicContact CB-CD1 4.33Å; M108-I201 HydrophobicContact CB-CG2 3.83Å; M108-I201 HydrophobicContact CE-CD1 4.4Å; K199-I201 HydrophobicContact CG-CG2 4.41Å
202S92.4Very high83.4Confident22 Ų2277.9 Ų77.915%0.15444%0.439CS..  trans-129.7143.9173.1-169.90000110.4C106 R200 D204C106-S202 PolarHBondContact O-N 2.85Å; R200-S202 VanDerWaalsContact CG-O 3.28Å; R200-S202 WeakPolarHBondContact CG-O 3.34Å; R200-S202 PolarHBondContact NE-O 3.31Å; S202-D204 PolarHBondContact OG-N 3.03Å
203E79.6Confident85Confident176 Ų17675 Ų7582%0.82241%0.413SS*.SBendtrans-82.3-27.6171.8-67.1-171.9176.100111.5R200 D205R200-E203 PolarHBondContact NH2-O 2.93Å; E203-D205 PolarHBondContact O-N 2.86Å
204D69.7Low85.6Confident124 Ų12469.5 Ų69.566%0.66339%0.385SS*.SBendtrans-65.2123.3179.1-59.9-37.5000110.7C106 S202 A206C106-D204 PolarHBondContact SG-O 3.44Å; S202-D204 PolarHBondContact OG-N 3.03Å; D204-A206 PolarHBondContact O-N 2.88Å; D204-A206 VanDerWaalsContact O-N 3.17Å
205D57.7Low85.4Confident141 Ų14171.3 Ų71.375%0.75439%0.392SS*.  trans-75.896.2167-65.8-37.9000106.9R200 E203R200-D205 IonicContact CZ-OD1 3.92Å; R200-D205 IonicContact NH2-OD1 3.38Å; R200-D205 PolarHBondContact NH2-OD1 3.11Å; E203-D205 PolarHBondContact O-N 2.86Å
206A51.5Low84.8Confident122 Ų12273.6 Ų73.6100%1.00840%0.402SS*.  trans-65.80175.800000112.6D204D204-A206 PolarHBondContact O-N 2.88Å; D204-A206 VanDerWaalsContact O-N 3.17Å

Retrieved 206 of 206 residues in 411.3 ms (Link to these results)

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