A0A3Q0KEM9_SCHMA Loading...

mRNA cap guanine-N(7) methyltransferase

AlphaFold DB (A0A5K4ECJ4), UniProt , Accession A0A3Q0KEM9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 374 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
1M31.2Very low67.2Low251 Ų25185.7 Ų85.7100%1.23649%0.486SS*.  0105.70-61.3-170.8-118.200106.3
2A34.6Very low69.4Low85 Ų8585.2 Ų85.270%0.70249%0.491SS*.  cis-130.8115.720.100000110.7I4A2-I4 HydrophobicContact CB-CG1 4.49Å
3G37.1Very low71.2Confident78 Ų7882.8 Ų82.880%0.80447%0.472SS*.  trans-95.433.8156.800000110.1S5G3-S5 PolarHBondContact O-N 3.16Å
4I44.8Very low72.8Confident131 Ų13181.4 Ų81.467%0.67246%0.456SS*.  trans-67.898.8168.7-66.5168.5000104A2 K8A2-I4 HydrophobicContact CB-CG1 4.49Å; I4-K8 HydrophobicContact CG2-CD 4.44Å
5S62Low74.1Confident31 Ų3177.5 Ų77.522%0.21743%0.433CS..  trans-61.7137.4-150.3174.20000113.6G3 R7 K8G3-S5 PolarHBondContact O-N 3.16Å; S5-R7 PolarHBondContact O-N 3.48Å; S5-R7 WeakPolarHBondContact OG-CB 3.42Å; S5-R7 PolarHBondContact OG-N 3.37Å; S5-K8 WeakPolarHBondContact O-CB 3.47Å; S5-K8 PolarHBondContact O-N 3.46Å
6N81.9Confident75.3Confident21 Ų2175.9 Ų75.911%0.11243%0.434CS..Hα-helixtrans-49.7-28.4171-66.3-66.2000111.9K8 D9 V10 E153 K248 P260 F262N6-K8 VanDerWaalsContact C-N 3.33Å; N6-K8 PolarHBondContact O-N 3.37Å; N6-D9 WeakPolarHBondContact O-CB 3.4Å; N6-D9 PolarHBondContact O-N 3.08Å; N6-V10 WeakPolarHBondContact O-CG2 3.44Å; N6-V10 PolarHBondContact O-N 3.34Å; N6-E153 PolarHBondContact ND2-OE1 3.18Å; N6-K248 WeakPolarHBondContact OD1-CE 3.38Å; N6-K248 PolarHBondContact OD1-NZ 3.01Å; N6-P260 HydrophobicContact CB-CB 4.44Å; N6-P260 HydrophobicContact CB-CG 4.01Å; N6-F262 HydrophobicContact CB-CE2 4.44Å; N6-F262 HydrophobicContact CB-CZ 4.09Å; N6-F262 WeakPolarHBondContact ND2-CZ 3.38Å
7R84.5Confident76.2Confident76 Ų7672.4 Ų72.429%0.28742%0.416SS..Hα-helixtrans-53.5-44.5171.4-174.5-171.6174.8-177.33.4113.1S5 D9 V10 I11 L92 D123 E126S5-R7 PolarHBondContact O-N 3.48Å; S5-R7 WeakPolarHBondContact OG-CB 3.42Å; S5-R7 PolarHBondContact OG-N 3.37Å; R7-D9 VanDerWaalsContact C-N 3.28Å; R7-D9 PolarHBondContact O-N 3.03Å; R7-V10 PolarHBondContact O-N 2.89Å; R7-I11 HydrophobicContact CG-CD1 3.8Å; R7-I11 HydrophobicContact CG-CG1 4.36Å; R7-I11 WeakPolarHBondContact O-CB 3.44Å; R7-I11 VanDerWaalsContact O-CG1 3.23Å; R7-I11 WeakPolarHBondContact O-CG1 3.28Å; R7-I11 PolarHBondContact O-N 3.38Å; R7-L92 HydrophobicContact CG-CD2 4.04Å; R7-D123 VanDerWaalsContact CD-OD2 3.27Å; R7-D123 WeakPolarHBondContact CD-OD2 3.31Å; R7-D123 IonicContact CZ-OD2 3.27Å; R7-D123 IonicContact NE-OD2 2.83Å; R7-D123 PolarHBondContact NE-OD2 3.05Å; R7-D123 IonicContact NH1-OD2 2.78Å; R7-D123 IonicContact NH2-OD2 3.16Å; R7-D123 PolarHBondContact NH2-OD2 2.64Å; R7-E126 IonicContact CZ-OE1 2.76Å; R7-E126 IonicContact CZ-OE2 2.73Å; R7-E126 IonicContact NH1-OE1 3.57Å; R7-E126 PolarHBondContact NH1-OE1 2.91Å; R7-E126 IonicContact NH1-OE2 2.94Å; R7-E126 PolarHBondContact NH1-OE2 3.07Å; R7-E126 IonicContact NH2-OE2 3.34Å
8K88.2Confident77Confident133 Ų13368.6 Ų68.658%0.57839%0.394SS*.Hα-helixtrans-63.5-38.7179.5-71.5-173.6175.6-176.10110.9I4 S5 N6 S12I4-K8 HydrophobicContact CG2-CD 4.44Å; S5-K8 WeakPolarHBondContact O-CB 3.47Å; S5-K8 PolarHBondContact O-N 3.46Å; N6-K8 VanDerWaalsContact C-N 3.33Å; N6-K8 PolarHBondContact O-N 3.37Å; K8-S12 WeakPolarHBondContact O-CB 3.45Å; K8-S12 PolarHBondContact O-N 3.49Å
9D90.8Very high77.6Confident80 Ų8073.2 Ų73.243%0.42841%0.405SS..Hα-helixtrans-65.8-44.6177-59.2-23.8000110.5N6 R7 S12 F13 P260N6-D9 WeakPolarHBondContact O-CB 3.4Å; N6-D9 PolarHBondContact O-N 3.08Å; R7-D9 VanDerWaalsContact C-N 3.28Å; R7-D9 PolarHBondContact O-N 3.03Å; D9-S12 PolarHBondContact O-N 2.9Å; D9-F13 WeakPolarHBondContact O-CB 3.39Å; D9-F13 PolarHBondContact O-N 3.02Å; D9-P260 HydrophobicContact CB-CG 4.17Å
10V91.4Very high78Confident13 Ų1372.8 Ų72.88%0.07940%0.402CS..Hα-helixtrans-62.5-48.2176.8173.80000111.5N6 R7 F13 Y14 Y150 P260N6-V10 WeakPolarHBondContact O-CG2 3.44Å; N6-V10 PolarHBondContact O-N 3.34Å; R7-V10 PolarHBondContact O-N 2.89Å; V10-F13 PolarHBondContact O-N 3.39Å; V10-Y14 HydrophobicContact CG1-CD2 3.71Å; V10-Y14 HydrophobicContact CG1-CE2 3.81Å; V10-Y14 VanDerWaalsContact O-CD2 3.24Å; V10-Y14 WeakPolarHBondContact O-CD2 3.48Å; V10-Y14 PolarHBondContact O-N 3.34Å; V10-Y150 HydrophobicContact CG2-CD1 3.93Å; V10-Y150 HydrophobicContact CG2-CE1 4.03Å; V10-P260 HydrophobicContact CG2-CG 4.3Å
11I92.8Very high77.6Confident44 Ų4475.4 Ų75.423%0.22642%0.415CS..Hα-helixtrans-58.9-52.9176.6-69.1169.6000110.3R7 F13 Y14 D15 L92R7-I11 HydrophobicContact CG-CD1 3.8Å; R7-I11 HydrophobicContact CG-CG1 4.36Å; R7-I11 WeakPolarHBondContact O-CB 3.44Å; R7-I11 VanDerWaalsContact O-CG1 3.23Å; R7-I11 WeakPolarHBondContact O-CG1 3.28Å; R7-I11 PolarHBondContact O-N 3.38Å; I11-F13 VanDerWaalsContact C-N 3.26Å; I11-F13 PolarHBondContact O-N 2.96Å; I11-Y14 PolarHBondContact O-N 3.02Å; I11-Y14 VanDerWaalsContact O-N 3.16Å; I11-D15 WeakPolarHBondContact CG2-OD2 3.41Å; I11-D15 WeakPolarHBondContact O-CB 3.48Å; I11-D15 VanDerWaalsContact O-CG 3.26Å; I11-D15 PolarHBondContact O-N 3.43Å; I11-L92 HydrophobicContact CD1-CD1 4.01Å; I11-L92 HydrophobicContact CD1-CD2 3.82Å; I11-L92 HydrophobicContact CD1-CG 3.86Å; I11-L92 HydrophobicContact CG1-CD1 4.26Å; I11-L92 HydrophobicContact CG1-CD2 3.32Å; I11-L92 HydrophobicContact CG1-CG 3.55Å
12S93.6Very high79.3Confident79 Ų7968.5 Ų68.555%0.55238%0.38SS*.Hα-helixtrans-56.2-43.5-178.4-177.20000111.4K8 D9 A16K8-S12 WeakPolarHBondContact O-CB 3.45Å; K8-S12 PolarHBondContact O-N 3.49Å; D9-S12 PolarHBondContact O-N 2.9Å; S12-A16 VanDerWaalsContact O-CB 3.31Å; S12-A16 WeakPolarHBondContact O-CB 3.47Å; S12-A16 PolarHBondContact O-N 3.02Å
13F93Very high80.5Confident54 Ų5468 Ų6824%0.23737%0.365CS..Hα-helixtrans-61.3-52.2176.1178.8-92.3000112.1D9 V10 I11 A16 A17 V256 V257 N258 C259D9-F13 WeakPolarHBondContact O-CB 3.39Å; D9-F13 PolarHBondContact O-N 3.02Å; V10-F13 PolarHBondContact O-N 3.39Å; I11-F13 VanDerWaalsContact C-N 3.26Å; I11-F13 PolarHBondContact O-N 2.96Å; F13-A16 PolarHBondContact O-N 3.09Å; F13-A17 HydrophobicContact CE1-CB 4.3Å; F13-A17 VanDerWaalsContact O-CB 3.3Å; F13-A17 WeakPolarHBondContact O-CB 3.2Å; F13-A17 PolarHBondContact O-N 3.39Å; F13-V256 WeakPolarHBondContact CZ-O 3.43Å; F13-V257 HydrophobicContact CE1-CB 4.42Å; F13-V257 HydrophobicContact CE1-CG2 4.31Å; F13-V257 VanDerWaalsContact CZ-CA 3.47Å; F13-V257 HydrophobicContact CZ-CB 4.46Å; F13-N258 HydrophobicContact CE2-CB 4.22Å; F13-C259 VanDerWaalsContact CB-SG 3.5Å; F13-C259 WeakPolarHBondContact CD1-SG 3.26Å; F13-C259 WeakPolarHBondContact CG-SG 3.37Å
14Y92.8Very high81.8Confident64 Ų6465.7 Ų65.725%0.25134%0.335SS..Hα-helixtrans-70.6-32.7-176-77.9-67.4000112.9V10 I11 A17 A18 Y150V10-Y14 HydrophobicContact CG1-CD2 3.71Å; V10-Y14 HydrophobicContact CG1-CE2 3.81Å; V10-Y14 VanDerWaalsContact O-CD2 3.24Å; V10-Y14 WeakPolarHBondContact O-CD2 3.48Å; V10-Y14 PolarHBondContact O-N 3.34Å; I11-Y14 PolarHBondContact O-N 3.02Å; I11-Y14 VanDerWaalsContact O-N 3.16Å; Y14-A17 PolarHBondContact O-N 3.02Å; Y14-A18 VanDerWaalsContact O-CB 3.27Å; Y14-A18 WeakPolarHBondContact O-CB 3.47Å; Y14-A18 PolarHBondContact O-N 2.63Å; Y14-Y150 HydrophobicContact CE2-CE2 4.42Å; Y14-Y150 PolarHBondContact OH-OH 2.95Å; Y14-Y150 VanDerWaalsContact OH-OH 3.11Å
15D93.5Very high83Confident22 Ų2261.5 Ų61.512%0.11832%0.317CS..Hα-helixtrans-63.5-46.4171.9-70.3-1.9000110.9I11 A18 R19 S93 E95I11-D15 WeakPolarHBondContact CG2-OD2 3.41Å; I11-D15 WeakPolarHBondContact O-CB 3.48Å; I11-D15 VanDerWaalsContact O-CG 3.26Å; I11-D15 PolarHBondContact O-N 3.43Å; D15-A18 PolarHBondContact O-N 3.46Å; D15-R19 WeakPolarHBondContact O-CG 3.49Å; D15-R19 PolarHBondContact O-N 3.27Å; D15-S93 WeakPolarHBondContact OD1-CB 3.26Å; D15-S93 PolarHBondContact OD1-OG 3.48Å; D15-E95 HydrophobicContact CB-CB 4.39Å; D15-E95 HydrophobicContact CB-CG 4.16Å
16A92.7Very high83.5Confident53 Ų5367.4 Ų67.444%0.43834%0.34SS..Hα-helixtrans-63-43.6175.800000111.8S12 F13 A18 R19 N20S12-A16 VanDerWaalsContact O-CB 3.31Å; S12-A16 WeakPolarHBondContact O-CB 3.47Å; S12-A16 PolarHBondContact O-N 3.02Å; F13-A16 PolarHBondContact O-N 3.09Å; A16-A18 VanDerWaalsContact C-N 3.26Å; A16-A18 PolarHBondContact O-N 3.36Å; A16-R19 PolarHBondContact O-N 3Å; A16-N20 PolarHBondContact O-N 3.45Å; A16-N20 VanDerWaalsContact O-N 3.1Å
17A90.1Very high83.1Confident16 Ų1670.9 Ų70.913%0.13236%0.363CS..Hα-helixtrans-67.6-24.2178.500000113.5F13 Y14 K72F13-A17 HydrophobicContact CE1-CB 4.3Å; F13-A17 VanDerWaalsContact O-CB 3.3Å; F13-A17 WeakPolarHBondContact O-CB 3.2Å; F13-A17 PolarHBondContact O-N 3.39Å; Y14-A17 PolarHBondContact O-N 3.02Å; A17-K72 PolarHBondContact O-NZ 3.23Å
18A90.2Very high82.6Confident3 Ų371.2 Ų71.23%0.02537%0.366CS..Hα-helixtrans-79.7-40.9173.700000112.8Y14 D15 A16 N20 N24 K72 E95 V99Y14-A18 VanDerWaalsContact O-CB 3.27Å; Y14-A18 WeakPolarHBondContact O-CB 3.47Å; Y14-A18 PolarHBondContact O-N 2.63Å; D15-A18 PolarHBondContact O-N 3.46Å; A16-A18 VanDerWaalsContact C-N 3.26Å; A16-A18 PolarHBondContact O-N 3.36Å; A18-N20 VanDerWaalsContact C-N 3.28Å; A18-N20 PolarHBondContact O-N 2.94Å; A18-N24 PolarHBondContact O-ND2 3.29Å; A18-K72 HydrophobicContact CB-CD 4.02Å; A18-K72 HydrophobicContact CB-CG 4.33Å; A18-E95 HydrophobicContact CB-CB 3.72Å; A18-V99 HydrophobicContact CB-CG2 4.21Å
19R89.7Confident82.1Confident157 Ų15768.7 Ų68.759%0.59235%0.353SS*.Hα-helixtrans-69.8-22.7176.2-66.5177-165.5130.12.6113.4D15 A16 D21 E95D15-R19 WeakPolarHBondContact O-CG 3.49Å; D15-R19 PolarHBondContact O-N 3.27Å; A16-R19 PolarHBondContact O-N 3Å; R19-D21 PolarHBondContact O-N 3.35Å; R19-E95 HydrophobicContact CG-CG 4.01Å; R19-E95 IonicContact CZ-OE1 3.33Å; R19-E95 IonicContact NE-OE1 2.67Å; R19-E95 IonicContact NH2-OE1 3.96Å; R19-E95 PolarHBondContact NH2-OE1 3.46Å; R19-E95 IonicContact NH2-OE2 3.54Å
20N85.1Confident81.6Confident65 Ų6572.1 Ų72.135%0.34836%0.36SS..  trans-80.2102.2177.9-171.1-10.3000111.9A16 A18 E22 N23A16-N20 PolarHBondContact O-N 3.45Å; A16-N20 VanDerWaalsContact O-N 3.1Å; A18-N20 VanDerWaalsContact C-N 3.28Å; A18-N20 PolarHBondContact O-N 2.94Å; N20-E22 PolarHBondContact O-N 3.31Å; N20-E22 VanDerWaalsContact OD1-CB 3.28Å; N20-E22 WeakPolarHBondContact OD1-CB 3.45Å; N20-E22 WeakPolarHBondContact OD1-CG 3.43Å; N20-E22 PolarHBondContact OD1-N 3.42Å; N20-N23 PolarHBondContact O-N 2.83Å
21D68.6Low81.1Confident127 Ų12778.6 Ų78.668%0.67939%0.389SS*.G310 helixtrans-61.2-25.9178.2-82-25.6000114.1R19 N23 N24 S25R19-D21 PolarHBondContact O-N 3.35Å; D21-N23 VanDerWaalsContact C-N 3.27Å; D21-N23 PolarHBondContact O-N 2.82Å; D21-N24 WeakPolarHBondContact O-CA 3.39Å; D21-N24 WeakPolarHBondContact O-CB 3.08Å; D21-N24 PolarHBondContact O-N 2.73Å; D21-S25 PolarHBondContact O-N 2.7Å
22E66.9Low80.7Confident107 Ų10778.4 Ų78.450%0.539%0.39SS..G310 helixtrans-62.2-39.4178.5-57.2-163.9144.200111.5N20 N24 S25 K28N20-E22 PolarHBondContact O-N 3.31Å; N20-E22 VanDerWaalsContact OD1-CB 3.28Å; N20-E22 WeakPolarHBondContact OD1-CB 3.45Å; N20-E22 WeakPolarHBondContact OD1-CG 3.43Å; N20-E22 PolarHBondContact OD1-N 3.42Å; E22-N24 PolarHBondContact O-N 3.27Å; E22-S25 PolarHBondContact O-N 3.01Å; E22-K28 HydrophobicContact CB-CD 3.76Å; E22-K28 HydrophobicContact CG-CD 4.08Å; E22-K28 VanDerWaalsContact CG-NZ 3.29Å; E22-K28 IonicContact OE1-NZ 3.9Å; E22-K28 PolarHBondContact OE1-NZ 2.99Å; E22-K28 IonicContact OE2-NZ 3.87Å
23N61.5Low80.3Confident73 Ų7381 Ų8139%0.3939%0.388SS..G310 helixtrans-71.1-11.6175.9-77-22.1000113.1N20 D21N20-N23 PolarHBondContact O-N 2.83Å; D21-N23 VanDerWaalsContact C-N 3.27Å; D21-N23 PolarHBondContact O-N 2.82Å
24N62.9Low80.2Confident31 Ų3178.4 Ų78.417%0.16638%0.377CS..G310 helixtrans-95.8-15.4177.3-64.9-29.8000112.6A18 D21 E22 K72 R103A18-N24 PolarHBondContact O-ND2 3.29Å; D21-N24 WeakPolarHBondContact O-CA 3.39Å; D21-N24 WeakPolarHBondContact O-CB 3.08Å; D21-N24 PolarHBondContact O-N 2.73Å; E22-N24 PolarHBondContact O-N 3.27Å; N24-K72 WeakPolarHBondContact OD1-CE 3.42Å; N24-K72 PolarHBondContact OD1-NZ 2.89Å; N24-R103 PolarHBondContact OD1-NH2 2.73Å
25S71.8Confident80.1Confident42 Ų4276.4 Ų76.429%0.29437%0.369SS..  trans-77.7125.8-178.8177.10000112.6D21 E22 T27 R29D21-S25 PolarHBondContact O-N 2.7Å; E22-S25 PolarHBondContact O-N 3.01Å; S25-T27 VanDerWaalsContact C-N 3.27Å; S25-T27 PolarHBondContact O-N 3.45Å; S25-T27 PolarHBondContact OG-N 3.13Å; S25-R29 PolarHBondContact O-N 2.59Å
26H70.8Confident80.2Confident155 Ų15577.9 Ų77.972%0.71837%0.374SS*.Hα-helixtrans-62.5-34.1172.3-78.4-72.9000112.6R29 R30H26-R29 PolarHBondContact O-N 3.35Å; H26-R30 PolarHBondContact O-N 3.26Å
27T73.4Confident80.2Confident94 Ų9475.4 Ų75.458%0.57735%0.353SS*.Hα-helixtrans-67.6-51.8-177.8-41.10000110.6S25 R29 R30S25-T27 VanDerWaalsContact C-N 3.27Å; S25-T27 PolarHBondContact O-N 3.45Å; S25-T27 PolarHBondContact OG-N 3.13Å; T27-R29 PolarHBondContact O-N 2.96Å; T27-R30 WeakPolarHBondContact O-CB 3.39Å; T27-R30 PolarHBondContact O-N 3.41Å
28K75.8Confident80.4Confident83 Ų8376.1 Ų76.136%0.36135%0.352SS..Hα-helixtrans-61.6-33177.3-70.3-169.9170.8-178.40112.2E22 R30 E31E22-K28 HydrophobicContact CB-CD 3.76Å; E22-K28 HydrophobicContact CG-CD 4.08Å; E22-K28 VanDerWaalsContact CG-NZ 3.29Å; E22-K28 IonicContact OE1-NZ 3.9Å; E22-K28 PolarHBondContact OE1-NZ 2.99Å; E22-K28 IonicContact OE2-NZ 3.87Å; K28-R30 PolarHBondContact O-N 3.36Å; K28-E31 WeakPolarHBondContact O-CB 3.46Å; K28-E31 PolarHBondContact O-N 2.88Å; K28-E31 VanDerWaalsContact O-N 3.08Å
29R77.3Confident80.6Confident81 Ų8176.7 Ų76.731%0.30636%0.355SS..Hα-helixtrans-60.2-32.6175.5-176.7171.1174.1154.1-6.5112.9S25 H26 T27 E31 T32 F35 R38S25-R29 PolarHBondContact O-N 2.59Å; H26-R29 PolarHBondContact O-N 3.35Å; T27-R29 PolarHBondContact O-N 2.96Å; R29-E31 PolarHBondContact O-N 3.04Å; R29-T32 PolarHBondContact O-N 3.17Å; R29-T32 PolarHBondContact O-OG1 3.25Å; R29-F35 HydrophobicContact CG-CD2 4.5Å; R29-F35 WeakPolarHBondContact O-CD2 3.18Å; R29-R38 PolarHBondContact NH2-O 3.21Å
30R79.7Confident81Confident152 Ų15269.2 Ų69.257%0.57433%0.327SS*.Hα-helixtrans-69.5-22.8177-62-174.383.7178.67.5113H26 T27 K28 T32 F35 E312H26-R30 PolarHBondContact O-N 3.26Å; T27-R30 WeakPolarHBondContact O-CB 3.39Å; T27-R30 PolarHBondContact O-N 3.41Å; K28-R30 PolarHBondContact O-N 3.36Å; R30-T32 VanDerWaalsContact C-N 3.35Å; R30-F35 HydrophobicContact CB-CD2 4.38Å; R30-F35 HydrophobicContact CB-CE2 4.24Å; R30-F35 HydrophobicContact CG-CD2 4.3Å; R30-F35 HydrophobicContact CG-CE2 3.71Å; R30-F35 HydrophobicContact CG-CZ 4.14Å; R30-E312 IonicContact NH2-OE1 3.64Å; R30-E312 PolarHBondContact NH2-OE1 3.47Å; R30-E312 IonicContact NH2-OE2 3.68Å
31E81.2Confident81.4Confident148 Ų14867 Ų6769%0.69232%0.315SS*.Hα-helixtrans-86.8-9.5-179.1-61.3165.4179.300112.1K28 R29K28-E31 WeakPolarHBondContact O-CB 3.46Å; K28-E31 PolarHBondContact O-N 2.88Å; K28-E31 VanDerWaalsContact O-N 3.08Å; R29-E31 PolarHBondContact O-N 3.04Å
32T83.5Confident82.7Confident41 Ų4163.1 Ų63.125%0.25229%0.294SS..SBendtrans-75.3141.8-179.264.20000112.3R29 R30 I34 F35R29-T32 PolarHBondContact O-N 3.17Å; R29-T32 PolarHBondContact O-OG1 3.25Å; R30-T32 VanDerWaalsContact C-N 3.35Å; T32-I34 PolarHBondContact O-N 3.26Å; T32-I34 VanDerWaalsContact O-N 3.1Å; T32-F35 WeakPolarHBondContact O-CB 3.33Å; T32-F35 PolarHBondContact O-N 3.01Å
33R86.3Confident84.1Confident132 Ų13258 Ų5850%0.49827%0.271SS..THydrogen-bonded Turntrans-51.7-35.8176.2175.258.5179.8-1770.2112.8V215R33-V215 HydrophobicContact CG-CG1 3.93Å
34I89.8Confident85.8Confident1 Ų154.6 Ų54.61%0.00525%0.252CS..THydrogen-bonded Turntrans-97.224.3-176.359.9156.9000113.3T32 Y36 L37 R38 V215 L253 D254 V256T32-I34 PolarHBondContact O-N 3.26Å; T32-I34 VanDerWaalsContact O-N 3.1Å; I34-Y36 PolarHBondContact O-N 3.43Å; I34-L37 HydrophobicContact CB-CB 4.17Å; I34-L37 HydrophobicContact CB-CD2 4.12Å; I34-L37 HydrophobicContact CG2-CD2 4.1Å; I34-L37 PolarHBondContact O-N 3.24Å; I34-R38 HydrophobicContact CD1-CG 3.86Å; I34-R38 HydrophobicContact CG1-CG 4.19Å; I34-R38 WeakPolarHBondContact O-CB 3.4Å; I34-R38 WeakPolarHBondContact O-CG 3.49Å; I34-R38 PolarHBondContact O-N 3.2Å; I34-V215 HydrophobicContact CG2-CB 3.83Å; I34-V215 HydrophobicContact CG2-CG1 3.93Å; I34-V215 HydrophobicContact CG2-CG2 4.45Å; I34-L253 HydrophobicContact CD1-CG 4.37Å; I34-D254 WeakPolarHBondContact CD1-O 3.36Å; I34-V256 HydrophobicContact CD1-CG2 3.35Å
35F91.7Very high87.4Confident21 Ų2154.5 Ų54.59%0.09225%0.25CS..Hα-helixtrans-53-51-179.2170.4-110.3000112.2R29 R30 T32 R38 N39 E312R29-F35 HydrophobicContact CG-CD2 4.5Å; R29-F35 WeakPolarHBondContact O-CD2 3.18Å; R30-F35 HydrophobicContact CB-CD2 4.38Å; R30-F35 HydrophobicContact CB-CE2 4.24Å; R30-F35 HydrophobicContact CG-CD2 4.3Å; R30-F35 HydrophobicContact CG-CE2 3.71Å; R30-F35 HydrophobicContact CG-CZ 4.14Å; T32-F35 WeakPolarHBondContact O-CB 3.33Å; T32-F35 PolarHBondContact O-N 3.01Å; F35-R38 WeakPolarHBondContact O-CB 3.42Å; F35-R38 PolarHBondContact O-N 2.74Å; F35-N39 WeakPolarHBondContact CE1-ND2 3.28Å; F35-N39 WeakPolarHBondContact CE2-ND2 3.38Å; F35-N39 WeakPolarHBondContact CZ-ND2 3.39Å; F35-N39 PolarHBondContact O-N 2.8Å; F35-E312 HydrophobicContact CE1-CB 4.15Å; F35-E312 HydrophobicContact CZ-CB 4.27Å
36Y94.4Very high88.5Confident53 Ų5353.2 Ų53.221%0.20824%0.241CC..Hα-helixtrans-66.8-42.9-179.4-63.6-70.2000112I34 R38 N39 F40 E312 E315I34-Y36 PolarHBondContact O-N 3.43Å; Y36-R38 VanDerWaalsContact C-N 3.33Å; Y36-R38 PolarHBondContact O-N 3.22Å; Y36-N39 PolarHBondContact O-N 3.24Å; Y36-N39 VanDerWaalsContact O-N 3.13Å; Y36-F40 WeakPolarHBondContact O-CB 3.38Å; Y36-F40 PolarHBondContact O-N 3.33Å; Y36-E312 WeakPolarHBondContact CD1-O 3.31Å; Y36-E315 HydrophobicContact CD1-CB 4.08Å; Y36-E315 HydrophobicContact CD2-CB 3.64Å; Y36-E315 HydrophobicContact CD2-CG 3.99Å; Y36-E315 HydrophobicContact CE1-CB 4.11Å; Y36-E315 HydrophobicContact CE2-CB 3.65Å; Y36-E315 HydrophobicContact CE2-CG 3.53Å; Y36-E315 HydrophobicContact CG-CB 3.86Å
37L94.5Very high89.7Confident1 Ų146.7 Ų46.71%0.00521%0.212CC..Hα-helixtrans-54.6-46.2171.6171.461.7000112.5I34 N39 F40 N41 L253 D355 V358 T359I34-L37 HydrophobicContact CB-CB 4.17Å; I34-L37 HydrophobicContact CB-CD2 4.12Å; I34-L37 HydrophobicContact CG2-CD2 4.1Å; I34-L37 PolarHBondContact O-N 3.24Å; L37-N39 VanDerWaalsContact C-N 3.3Å; L37-N39 PolarHBondContact O-N 2.93Å; L37-F40 PolarHBondContact O-N 2.95Å; L37-N41 WeakPolarHBondContact O-CB 3.24Å; L37-N41 PolarHBondContact O-N 3.43Å; L37-L253 HydrophobicContact CD2-CD1 3.95Å; L37-L253 HydrophobicContact CD2-CD2 4.48Å; L37-D355 HydrophobicContact CB-CB 4.12Å; L37-V358 HydrophobicContact CD1-CB 4.12Å; L37-V358 HydrophobicContact CD1-CG1 4.12Å; L37-V358 HydrophobicContact CD2-CB 3.86Å; L37-V358 HydrophobicContact CD2-CG1 3.81Å; L37-V358 HydrophobicContact CD2-CG2 4.08Å; L37-T359 HydrophobicContact CD1-CG2 3.37Å
38R93.5Very high90.8Very high31 Ų3142.6 Ų42.612%0.11719%0.186CC..Hα-helixtrans-61.7-39.9177.6-77.3179.6179.3-166.70.3111.8R29 I34 F35 Y36 N42 G255R29-R38 PolarHBondContact NH2-O 3.21Å; I34-R38 HydrophobicContact CD1-CG 3.86Å; I34-R38 HydrophobicContact CG1-CG 4.19Å; I34-R38 WeakPolarHBondContact O-CB 3.4Å; I34-R38 WeakPolarHBondContact O-CG 3.49Å; I34-R38 PolarHBondContact O-N 3.2Å; F35-R38 WeakPolarHBondContact O-CB 3.42Å; F35-R38 PolarHBondContact O-N 2.74Å; Y36-R38 VanDerWaalsContact C-N 3.33Å; Y36-R38 PolarHBondContact O-N 3.22Å; R38-N42 VanDerWaalsContact O-CB 3.32Å; R38-N42 WeakPolarHBondContact O-CB 3.37Å; R38-N42 PolarHBondContact O-N 2.86Å; R38-N42 VanDerWaalsContact O-N 3.08Å; R38-G255 PolarHBondContact NH2-O 3.47Å
39N94.8Very high91.8Very high15 Ų1538.8 Ų38.88%0.0817%0.17CC..Hα-helixtrans-72.4-38.1178.3-68.8-11000111.7F35 Y36 L37 N42 W43 M311 E312 A313F35-N39 WeakPolarHBondContact CE1-ND2 3.28Å; F35-N39 WeakPolarHBondContact CE2-ND2 3.38Å; F35-N39 WeakPolarHBondContact CZ-ND2 3.39Å; F35-N39 PolarHBondContact O-N 2.8Å; Y36-N39 PolarHBondContact O-N 3.24Å; Y36-N39 VanDerWaalsContact O-N 3.13Å; L37-N39 VanDerWaalsContact C-N 3.3Å; L37-N39 PolarHBondContact O-N 2.93Å; N39-N42 WeakPolarHBondContact O-CB 3.4Å; N39-N42 PolarHBondContact O-N 3.17Å; N39-W43 WeakPolarHBondContact O-CB 3.48Å; N39-W43 PolarHBondContact O-N 2.86Å; N39-M311 WeakPolarHBondContact CB-O 3.48Å; N39-M311 PolarHBondContact ND2-O 3.4Å; N39-M311 VanDerWaalsContact ND2-O 3.13Å; N39-E312 WeakPolarHBondContact CB-O 3.27Å; N39-E312 PolarHBondContact ND2-O 3.29Å; N39-A313 HydrophobicContact CB-CB 4.25Å
40F96.6Very high92.6Very high0 Ų036.8 Ų36.80%017%0.165CC..Hα-helixtrans-59.8-50.2172.5-175.5-91.3000111.7Y36 L37 N42 W43 M44 F287 F291 L308 L314 L351 W356 T359Y36-F40 WeakPolarHBondContact O-CB 3.38Å; Y36-F40 PolarHBondContact O-N 3.33Å; L37-F40 PolarHBondContact O-N 2.95Å; F40-N42 PolarHBondContact O-N 3.1Å; F40-W43 WeakPolarHBondContact O-CB 3.47Å; F40-W43 PolarHBondContact O-N 3.04Å; F40-W43 VanDerWaalsContact O-N 3.09Å; F40-M44 HydrophobicContact CD1-CG 3.85Å; F40-M44 HydrophobicContact CE1-CG 3.45Å; F40-M44 VanDerWaalsContact CE1-CG 3.45Å; F40-M44 HydrophobicContact CE1-SD 4Å; F40-M44 HydrophobicContact CZ-CG 3.91Å; F40-M44 HydrophobicContact CZ-SD 3.94Å; F40-M44 WeakPolarHBondContact O-CG 3.34Å; F40-M44 PolarHBondContact O-N 3.5Å; F40-F287 HydrophobicContact CE1-CD2 4.12Å; F40-F291 HydrophobicContact CE2-CD1 4.5Å; F40-F291 AromaticContact CE2-CD2 3.62Å; F40-F291 HydrophobicContact CE2-CD2 3.62Å; F40-F291 AromaticContact CE2-CE2 3.69Å; F40-F291 HydrophobicContact CE2-CE2 3.69Å; F40-F291 HydrophobicContact CE2-CG 4.04Å; F40-F291 HydrophobicContact CE2-CZ 4.18Å; F40-F291 HydrophobicContact CZ-CB 4.13Å; F40-F291 AromaticContact CZ-CD2 3.9Å; F40-F291 HydrophobicContact CZ-CD2 3.9Å; F40-F291 HydrophobicContact CZ-CE2 4.41Å; F40-F291 AromaticContact CZ-CG 3.94Å; F40-F291 HydrophobicContact CZ-CG 3.94Å; F40-L308 HydrophobicContact CD2-CD1 4.49Å; F40-L314 HydrophobicContact CD2-CD2 4.12Å; F40-L314 HydrophobicContact CE2-CD2 4.5Å; F40-L351 HydrophobicContact CB-CD1 4.08Å; F40-L351 HydrophobicContact CD1-CD1 4.35Å; F40-L351 HydrophobicContact CD2-CD1 4.07Å; F40-L351 HydrophobicContact CG-CD1 3.9Å; F40-W356 HydrophobicContact CD2-CH2 4.41Å; F40-W356 HydrophobicContact CE1-CZ3 4.27Å; F40-W356 AromaticContact CE2-CH2 3.74Å; F40-W356 HydrophobicContact CE2-CH2 3.74Å; F40-W356 AromaticContact CE2-CZ3 3.99Å; F40-W356 HydrophobicContact CE2-CZ3 3.99Å; F40-W356 AromaticContact CZ-CH2 3.97Å; F40-W356 HydrophobicContact CZ-CH2 3.97Å; F40-W356 AromaticContact CZ-CZ3 3.74Å; F40-W356 HydrophobicContact CZ-CZ3 3.74Å; F40-T359 HydrophobicContact CD1-CG2 3.41Å; F40-T359 VanDerWaalsContact CD1-CG2 3.41Å; F40-T359 HydrophobicContact CE1-CG2 3.66Å; F40-T359 HydrophobicContact CG-CG2 4.28Å
41N95.2Very high93.3Very high20 Ų2035.3 Ų35.311%0.10716%0.163CC..Hα-helixtrans-59.7-38.9175.9-72.4-8.3000111.2L37 M44 K45L37-N41 WeakPolarHBondContact O-CB 3.24Å; L37-N41 PolarHBondContact O-N 3.43Å; N41-M44 PolarHBondContact O-N 3.38Å; N41-K45 WeakPolarHBondContact O-CG 3.32Å; N41-K45 PolarHBondContact O-N 3.05Å
42N95.1Very high94Very high45 Ų4528.6 Ų28.624%0.24113%0.132CC..Hα-helixtrans-65.7-39.1176.2-159.142.8000112.2R38 N39 F40 S46 K78 M311R38-N42 VanDerWaalsContact O-CB 3.32Å; R38-N42 WeakPolarHBondContact O-CB 3.37Å; R38-N42 PolarHBondContact O-N 2.86Å; R38-N42 VanDerWaalsContact O-N 3.08Å; N39-N42 WeakPolarHBondContact O-CB 3.4Å; N39-N42 PolarHBondContact O-N 3.17Å; F40-N42 PolarHBondContact O-N 3.1Å; N42-S46 WeakPolarHBondContact O-CB 3.27Å; N42-S46 PolarHBondContact O-N 3.36Å; N42-S46 PolarHBondContact O-OG 3.03Å; N42-K78 WeakPolarHBondContact O-CE 3.27Å; N42-K78 WeakPolarHBondContact OD1-CE 3.38Å; N42-K78 PolarHBondContact OD1-NZ 3.35Å; N42-M311 HydrophobicContact CB-CE 3.66Å; N42-M311 WeakPolarHBondContact ND2-CE 3.28Å
43W96.5Very high94.7Very high0 Ų026.7 Ų26.70%012%0.121CC..Hα-helixtrans-66.5-46.5175.6174.689.5000111.5N39 F40 K45 S46 V47 F291 T294 L295 P304 L308 M311 A313N39-W43 WeakPolarHBondContact O-CB 3.48Å; N39-W43 PolarHBondContact O-N 2.86Å; F40-W43 WeakPolarHBondContact O-CB 3.47Å; F40-W43 PolarHBondContact O-N 3.04Å; F40-W43 VanDerWaalsContact O-N 3.09Å; W43-K45 VanDerWaalsContact C-N 3.3Å; W43-K45 PolarHBondContact O-N 3.44Å; W43-S46 WeakPolarHBondContact O-CB 3.31Å; W43-S46 PolarHBondContact O-N 2.92Å; W43-V47 HydrophobicContact CD2-CG2 4.05Å; W43-V47 HydrophobicContact CH2-CG2 4.23Å; W43-V47 HydrophobicContact CZ2-CG2 3.76Å; W43-V47 PolarHBondContact O-N 3.09Å; W43-F291 HydrophobicContact CE3-CD2 4.36Å; W43-F291 AromaticContact CH2-CD2 3.6Å; W43-F291 HydrophobicContact CH2-CD2 3.6Å; W43-F291 HydrophobicContact CH2-CE2 4.09Å; W43-F291 AromaticContact CZ3-CD2 3.46Å; W43-F291 HydrophobicContact CZ3-CD2 3.46Å; W43-F291 VanDerWaalsContact CZ3-CD2 3.46Å; W43-F291 HydrophobicContact CZ3-CE2 4.12Å; W43-F291 HydrophobicContact CZ3-CG 4.48Å; W43-T294 HydrophobicContact CH2-CG2 3.88Å; W43-T294 HydrophobicContact CZ2-CG2 4.05Å; W43-L295 HydrophobicContact CH2-CD2 4.41Å; W43-L295 HydrophobicContact CZ2-CD2 4.17Å; W43-P304 HydrophobicContact CZ2-CB 3.85Å; W43-P304 PolarHBondContact NE1-O 2.96Å; W43-L308 HydrophobicContact CB-CD1 4.29Å; W43-L308 HydrophobicContact CD2-CD1 3.4Å; W43-L308 VanDerWaalsContact CD2-CD1 3.4Å; W43-L308 HydrophobicContact CE3-CD1 3.85Å; W43-L308 HydrophobicContact CG-CB 4.47Å; W43-L308 HydrophobicContact CG-CD1 3.6Å; W43-L308 HydrophobicContact CZ2-CB 4.41Å; W43-L308 HydrophobicContact CZ2-CD1 4.11Å; W43-L308 HydrophobicContact CZ3-CD1 4.43Å; W43-M311 HydrophobicContact CB-CE 4.07Å; W43-M311 HydrophobicContact CB-SD 4.05Å; W43-A313 HydrophobicContact CB-CB 3.97Å; W43-A313 HydrophobicContact CG-CB 4.43Å
44M96.6Very high95Very high0 Ų026 Ų260%012%0.118CC..Hα-helixtrans-53.1-49.7174.7-76.6-65.7-59.200110.7F40 N41 V47 F48 F287 N290 F291 L364F40-M44 HydrophobicContact CD1-CG 3.85Å; F40-M44 HydrophobicContact CE1-CG 3.45Å; F40-M44 VanDerWaalsContact CE1-CG 3.45Å; F40-M44 HydrophobicContact CE1-SD 4Å; F40-M44 HydrophobicContact CZ-CG 3.91Å; F40-M44 HydrophobicContact CZ-SD 3.94Å; F40-M44 WeakPolarHBondContact O-CG 3.34Å; F40-M44 PolarHBondContact O-N 3.5Å; N41-M44 PolarHBondContact O-N 3.38Å; M44-V47 PolarHBondContact O-N 2.87Å; M44-F48 VanDerWaalsContact O-CB 3.24Å; M44-F48 WeakPolarHBondContact O-CB 3.34Å; M44-F48 PolarHBondContact O-N 2.84Å; M44-F287 HydrophobicContact CB-CD2 4.28Å; M44-F287 HydrophobicContact CB-CE2 3.8Å; M44-F287 HydrophobicContact CB-CZ 4.01Å; M44-F287 HydrophobicContact CE-CB 3.88Å; M44-F287 HydrophobicContact CE-CD1 3.64Å; M44-F287 HydrophobicContact CE-CD2 3.91Å; M44-F287 HydrophobicContact CE-CE1 4.05Å; M44-F287 HydrophobicContact CE-CE2 4.3Å; M44-F287 HydrophobicContact CE-CG 3.54Å; M44-F287 HydrophobicContact CE-CZ 4.34Å; M44-F287 HydrophobicContact CG-CD2 3.78Å; M44-F287 HydrophobicContact CG-CE2 3.79Å; M44-F287 HydrophobicContact CG-CG 4.38Å; M44-F287 HydrophobicContact CG-CZ 4.4Å; M44-F287 HydrophobicContact SD-CD2 4.47Å; M44-N290 HydrophobicContact CE-CB 3.92Å; M44-N290 VanDerWaalsContact CE-ND2 3.3Å; M44-N290 WeakPolarHBondContact CE-ND2 3.46Å; M44-F291 HydrophobicContact SD-CB 4.24Å; M44-L364 HydrophobicContact CE-CD1 4.07Å
45K96.2Very high95.3Very high30 Ų3028.8 Ų28.813%0.1314%0.138CC..Hα-helixtrans-60.8-44.9174.9-75.1-158.1-68.9170.40112.6N41 W43 V47 F48 I49 D75 K78 Q145 F146N41-K45 WeakPolarHBondContact O-CG 3.32Å; N41-K45 PolarHBondContact O-N 3.05Å; W43-K45 VanDerWaalsContact C-N 3.3Å; W43-K45 PolarHBondContact O-N 3.44Å; K45-V47 PolarHBondContact O-N 2.84Å; K45-F48 PolarHBondContact O-N 2.67Å; K45-I49 VanDerWaalsContact O-CB 3.28Å; K45-I49 WeakPolarHBondContact O-CB 3.4Å; K45-I49 WeakPolarHBondContact O-CG1 3.32Å; K45-I49 PolarHBondContact O-N 3.3Å; K45-D75 WeakPolarHBondContact CE-OD1 3.44Å; K45-D75 VanDerWaalsContact NZ-CG 3.25Å; K45-D75 IonicContact NZ-OD1 3.65Å; K45-D75 PolarHBondContact NZ-OD1 3.08Å; K45-D75 IonicContact NZ-OD2 2.65Å; K45-D75 PolarHBondContact NZ-OD2 3.32Å; K45-K78 HydrophobicContact CB-CD 4.2Å; K45-Q145 HydrophobicContact CD-CB 3.87Å; K45-Q145 HydrophobicContact CD-CG 3.96Å; K45-F146 HydrophobicContact CD-CD2 4.22Å; K45-F146 HydrophobicContact CD-CE2 3.78Å; K45-F146 HydrophobicContact CG-CE2 4.07Å
46S96Very high95.5Very high14 Ų1428.6 Ų28.610%0.09814%0.137CC..Hα-helixtrans-60.2-46.2179.3-77.40000112.7N42 W43 N50 K78N42-S46 WeakPolarHBondContact O-CB 3.27Å; N42-S46 PolarHBondContact O-N 3.36Å; N42-S46 PolarHBondContact O-OG 3.03Å; W43-S46 WeakPolarHBondContact O-CB 3.31Å; W43-S46 PolarHBondContact O-N 2.92Å; S46-N50 VanDerWaalsContact O-CB 3.26Å; S46-N50 WeakPolarHBondContact O-CB 3.49Å; S46-N50 PolarHBondContact O-N 3.17Å; S46-K78 WeakPolarHBondContact OG-CE 3.4Å
47V94.8Very high95.6Very high18 Ų1831.8 Ų31.811%0.10916%0.158CC..Hα-helixtrans-63.8-46.6176.6172.50000110.3W43 M44 K45 N50 K51 T294 P304W43-V47 HydrophobicContact CD2-CG2 4.05Å; W43-V47 HydrophobicContact CH2-CG2 4.23Å; W43-V47 HydrophobicContact CZ2-CG2 3.76Å; W43-V47 PolarHBondContact O-N 3.09Å; M44-V47 PolarHBondContact O-N 2.87Å; K45-V47 PolarHBondContact O-N 2.84Å; V47-N50 PolarHBondContact O-N 2.93Å; V47-K51 WeakPolarHBondContact O-CB 3.2Å; V47-K51 PolarHBondContact O-N 3.28Å; V47-T294 HydrophobicContact CG1-CG2 3.78Å; V47-T294 HydrophobicContact CG2-CG2 4.48Å; V47-P304 HydrophobicContact CG2-CB 4.15Å
48F96.4Very high95.7Very high9 Ų933.9 Ų33.94%0.03917%0.171CC..Hα-helixtrans-63.1-50.7-177-178.4-138.4000112.1M44 K45 N50 K51 S52 I176 L364 L365 V366M44-F48 VanDerWaalsContact O-CB 3.24Å; M44-F48 WeakPolarHBondContact O-CB 3.34Å; M44-F48 PolarHBondContact O-N 2.84Å; K45-F48 PolarHBondContact O-N 2.67Å; F48-N50 PolarHBondContact O-N 3.34Å; F48-K51 PolarHBondContact O-N 3.03Å; F48-S52 PolarHBondContact O-N 3.46Å; F48-S52 PolarHBondContact O-OG 3.19Å; F48-S52 VanDerWaalsContact O-OG 3.05Å; F48-I176 HydrophobicContact CD1-CD1 4.48Å; F48-I176 HydrophobicContact CE1-CB 3.8Å; F48-I176 HydrophobicContact CE1-CD1 4.26Å; F48-I176 HydrophobicContact CE1-CG1 4.44Å; F48-I176 HydrophobicContact CE1-CG2 4.42Å; F48-I176 HydrophobicContact CE2-CG2 4.41Å; F48-I176 HydrophobicContact CZ-CB 3.72Å; F48-I176 HydrophobicContact CZ-CG2 3.88Å; F48-L364 HydrophobicContact CB-CD1 4.23Å; F48-L364 HydrophobicContact CB-CD2 4.49Å; F48-L364 HydrophobicContact CD1-CD1 4.41Å; F48-L364 HydrophobicContact CD1-CD2 3.64Å; F48-L364 HydrophobicContact CD1-CG 4.43Å; F48-L364 HydrophobicContact CD2-CD1 4.06Å; F48-L364 HydrophobicContact CE1-CB 4.2Å; F48-L364 HydrophobicContact CE1-CD2 3.92Å; F48-L364 HydrophobicContact CE2-CB 4.27Å; F48-L364 HydrophobicContact CG-CD1 3.99Å; F48-L364 HydrophobicContact CG-CD2 4.05Å; F48-L364 HydrophobicContact CG-CG 4.49Å; F48-L364 HydrophobicContact CZ-CB 4.05Å; F48-L365 WeakPolarHBondContact CZ-O 3.29Å; F48-V366 HydrophobicContact CE2-CG2 3.5Å; F48-V366 HydrophobicContact CZ-CG2 3.63Å
49I97.2Very high95.8Very high2 Ų235.7 Ų35.71%0.0119%0.187CC..Hα-helixtrans-58.7-46.8176.5-75.3166.9000110.9K45 K51 S52 L53 D75 K78 W79 I176K45-I49 VanDerWaalsContact O-CB 3.28Å; K45-I49 WeakPolarHBondContact O-CB 3.4Å; K45-I49 WeakPolarHBondContact O-CG1 3.32Å; K45-I49 PolarHBondContact O-N 3.3Å; I49-K51 VanDerWaalsContact C-N 3.31Å; I49-K51 PolarHBondContact O-N 3.34Å; I49-S52 PolarHBondContact O-N 2.87Å; I49-L53 HydrophobicContact CG2-CD1 3.98Å; I49-L53 HydrophobicContact CG2-CG 4.33Å; I49-L53 WeakPolarHBondContact O-CG 3.45Å; I49-L53 PolarHBondContact O-N 3.39Å; I49-D75 HydrophobicContact CD1-CB 4.49Å; I49-K78 HydrophobicContact CD1-CB 4.37Å; I49-K78 HydrophobicContact CD1-CD 3.72Å; I49-K78 HydrophobicContact CG2-CB 4.46Å; I49-W79 HydrophobicContact CB-CH2 4.47Å; I49-W79 HydrophobicContact CB-CZ3 4.43Å; I49-W79 HydrophobicContact CD1-CH2 3.98Å; I49-W79 HydrophobicContact CD1-CZ2 4.06Å; I49-W79 HydrophobicContact CG1-CH2 3.96Å; I49-W79 HydrophobicContact CG1-CZ3 4.41Å; I49-W79 HydrophobicContact CG2-CE3 3.81Å; I49-W79 HydrophobicContact CG2-CH2 3.71Å; I49-W79 HydrophobicContact CG2-CZ3 3.27Å; I49-I176 HydrophobicContact CG1-CD1 4.07Å
50N94.8Very high95.8Very high40 Ų4036.6 Ų36.621%0.21419%0.194CC..Hα-helixtrans-63.8-39.1-179.1-168.1-98.6000111.9S46 V47 F48 L53 R54S46-N50 VanDerWaalsContact O-CB 3.26Å; S46-N50 WeakPolarHBondContact O-CB 3.49Å; S46-N50 PolarHBondContact O-N 3.17Å; V47-N50 PolarHBondContact O-N 2.93Å; F48-N50 PolarHBondContact O-N 3.34Å; N50-L53 PolarHBondContact O-N 3.44Å; N50-R54 WeakPolarHBondContact O-CG 3.48Å; N50-R54 PolarHBondContact O-N 3.45Å; N50-R54 PolarHBondContact OD1-NE 3.41Å; N50-R54 PolarHBondContact OD1-NH2 3.08Å
51K94Very high95.8Very high120 Ų12041.8 Ų41.852%0.52222%0.222SC..Hα-helixtrans-62-45.4174-175.8179.1177.7-175.80111.1V47 F48 I49 R54 S55V47-K51 WeakPolarHBondContact O-CB 3.2Å; V47-K51 PolarHBondContact O-N 3.28Å; F48-K51 PolarHBondContact O-N 3.03Å; I49-K51 VanDerWaalsContact C-N 3.31Å; I49-K51 PolarHBondContact O-N 3.34Å; K51-R54 PolarHBondContact O-N 3.2Å; K51-S55 PolarHBondContact O-N 2.83Å; K51-S55 PolarHBondContact O-OG 3.21Å
52S96.4Very high95.9Very high7 Ų748.8 Ų48.85%0.04925%0.247CC..Hα-helixtrans-63.3-41.5178.7-58.10000112.5F48 I49 R54 S55 I176F48-S52 PolarHBondContact O-N 3.46Å; F48-S52 PolarHBondContact O-OG 3.19Å; F48-S52 VanDerWaalsContact O-OG 3.05Å; I49-S52 PolarHBondContact O-N 2.87Å; S52-R54 VanDerWaalsContact C-N 3.29Å; S52-R54 PolarHBondContact O-N 3.08Å; S52-S55 WeakPolarHBondContact O-CB 3.37Å; S52-S55 PolarHBondContact O-N 3.1Å; S52-S55 VanDerWaalsContact O-N 3.11Å; S52-I176 WeakPolarHBondContact OG-CG2 3.43Å
53L96.9Very high96.1Very high2 Ų246.6 Ų46.61%0.0124%0.235CC..Hα-helixtrans-62.5-33.5176.4-72.2175.1000113.1I49 N50 S55 L56 I65 W79 V84 L141I49-L53 HydrophobicContact CG2-CD1 3.98Å; I49-L53 HydrophobicContact CG2-CG 4.33Å; I49-L53 WeakPolarHBondContact O-CG 3.45Å; I49-L53 PolarHBondContact O-N 3.39Å; N50-L53 PolarHBondContact O-N 3.44Å; L53-S55 VanDerWaalsContact C-N 3.28Å; L53-L56 HydrophobicContact CD2-CD1 3.94Å; L53-L56 WeakPolarHBondContact O-CG 3.4Å; L53-L56 PolarHBondContact O-N 3.25Å; L53-I65 HydrophobicContact CD2-CD1 3.68Å; L53-W79 HydrophobicContact CD1-CE3 4.3Å; L53-W79 HydrophobicContact CD1-CZ3 4.3Å; L53-W79 HydrophobicContact CD2-CZ3 4.27Å; L53-W79 HydrophobicContact CG-CZ3 4.41Å; L53-V84 HydrophobicContact CD1-CG1 3.85Å; L53-V84 HydrophobicContact CD2-CG1 3.73Å; L53-V84 HydrophobicContact CG-CG1 4.47Å; L53-L141 HydrophobicContact CD2-CD2 3.82Å; L53-L141 HydrophobicContact CG-CD2 4.35Å
54R94.5Very high96.2Very high118 Ų11848.3 Ų48.345%0.44524%0.243SC..Hα-helixtrans-74.6-18.4176.2-69.6179.4-165.2-167.56.4113.6N50 K51 S52 L56 S300 P301N50-R54 WeakPolarHBondContact O-CG 3.48Å; N50-R54 PolarHBondContact O-N 3.45Å; N50-R54 PolarHBondContact OD1-NE 3.41Å; N50-R54 PolarHBondContact OD1-NH2 3.08Å; K51-R54 PolarHBondContact O-N 3.2Å; S52-R54 VanDerWaalsContact C-N 3.29Å; S52-R54 PolarHBondContact O-N 3.08Å; R54-L56 VanDerWaalsContact C-N 3.32Å; R54-S300 PolarHBondContact NH1-OG 2.81Å; R54-P301 VanDerWaalsContact NH1-CD 3.31Å
55S95Very high96.3Very high59 Ų5948.3 Ų48.341%0.41324%0.243SC..THydrogen-bonded Turntrans-87.4-3.6177.6-59.10000113K51 S52 L53 F174K51-S55 PolarHBondContact O-N 2.83Å; K51-S55 PolarHBondContact O-OG 3.21Å; S52-S55 WeakPolarHBondContact O-CB 3.37Å; S52-S55 PolarHBondContact O-N 3.1Å; S52-S55 VanDerWaalsContact O-N 3.11Å; L53-S55 VanDerWaalsContact C-N 3.28Å; S55-F174 WeakPolarHBondContact O-CE2 3.37Å; S55-F174 WeakPolarHBondContact O-CZ 3.35Å
56L96.7Very high96.4Very high17 Ų1746.9 Ų46.99%0.08924%0.237CC..SBendtrans-69.4146.7177.7-63.8-177.5000111.1L53 R54 V58 A63 D140 L141 F174L53-L56 HydrophobicContact CD2-CD1 3.94Å; L53-L56 WeakPolarHBondContact O-CG 3.4Å; L53-L56 PolarHBondContact O-N 3.25Å; R54-L56 VanDerWaalsContact C-N 3.32Å; L56-V58 HydrophobicContact CB-CG2 4.26Å; L56-V58 HydrophobicContact CD1-CG2 4.46Å; L56-V58 PolarHBondContact O-N 3.14Å; L56-A63 HydrophobicContact CD1-CB 3.68Å; L56-D140 HydrophobicContact CD1-CB 4.08Å; L56-D140 HydrophobicContact CD2-CB 4.16Å; L56-D140 WeakPolarHBondContact CD2-O 3.22Å; L56-L141 HydrophobicContact CD2-CB 4.36Å; L56-F174 HydrophobicContact CD2-CD2 3.64Å; L56-F174 HydrophobicContact CD2-CE2 4.22Å
57D95Very high96.5Very high119 Ų11946.3 Ų46.364%0.63623%0.233SC*.SBendtrans-75-6.3175.1-65.5-25.3000112.5N172D57-N172 VanDerWaalsContact OD2-CB 3.27Å; D57-N172 WeakPolarHBondContact OD2-CB 3.12Å
58V96.7Very high96.7Very high46 Ų4645.5 Ų45.528%0.27923%0.228SC..SBendtrans-113.7147.7176.2-62.50000110.7L56 A63 D140L56-V58 HydrophobicContact CB-CG2 4.26Å; L56-V58 HydrophobicContact CD1-CG2 4.46Å; L56-V58 PolarHBondContact O-N 3.14Å; V58-A63 HydrophobicContact CG2-CB 4.21Å; V58-D140 HydrophobicContact CG2-CB 4.15Å
59P96.8Very high96.8Very high69 Ų6946.7 Ų46.745%0.44824%0.236SC..  trans-62.1144.9171.728.6-35.3000109.9N61 R62 A63P59-N61 PolarHBondContact O-N 3.33Å; P59-N61 VanDerWaalsContact O-N 3.1Å; P59-R62 HydrophobicContact CG-CB 4.22Å; P59-R62 HydrophobicContact CG-CG 4.06Å; P59-R62 PolarHBondContact O-N 3.4Å; P59-A63 PolarHBondContact O-N 3.17Å
60S95Very high96.8Very high33 Ų3347.2 Ų47.223%0.23124%0.24CC..G310 helixtrans-56.5-35.5-172.8-50.90000112.9R62 A63 G82 G83 V84 Q85S60-R62 PolarHBondContact O-N 3.49Å; S60-A63 VanDerWaalsContact O-CB 3.24Å; S60-A63 WeakPolarHBondContact O-CB 3.24Å; S60-A63 PolarHBondContact O-N 2.84Å; S60-G82 WeakPolarHBondContact CB-O 3.48Å; S60-G83 CarbonylContact C-O 3.19Å; S60-V84 VanDerWaalsContact O-CA 3.22Å; S60-V84 WeakPolarHBondContact O-CA 3.42Å; S60-Q85 PolarHBondContact O-N 3.44Å
61N96.5Very high96.9Very high109 Ų10946 Ų4658%0.58324%0.237SC*.G310 helixtrans-680.8176.771.3-14.1000115.7P59 G83 Q85P59-N61 PolarHBondContact O-N 3.33Å; P59-N61 VanDerWaalsContact O-N 3.1Å; N61-G83 WeakPolarHBondContact CA-O 3.4Å; N61-G83 PolarHBondContact N-O 3.04Å; N61-G83 VanDerWaalsContact N-O 3.13Å; N61-Q85 WeakPolarHBondContact O-CB 3.42Å
62R97.6Very high96.9Very high167 Ų16742.3 Ų42.363%0.6322%0.221SC*.G310 helixtrans-119.2-0.8169.3-63.8-177.1178.3170.2-2.3112.8P59 S60 Q85P59-R62 HydrophobicContact CG-CB 4.22Å; P59-R62 HydrophobicContact CG-CG 4.06Å; P59-R62 PolarHBondContact O-N 3.4Å; S60-R62 PolarHBondContact O-N 3.49Å; R62-Q85 PolarHBondContact O-OE1 3.29Å
63A98.3Very high97Very high0 Ų042.1 Ų42.10%022%0.221CC..  trans-73.2130.8-176.100000111.4L56 V58 P59 S60 I65 Q85 H86 D140L56-A63 HydrophobicContact CD1-CB 3.68Å; V58-A63 HydrophobicContact CG2-CB 4.21Å; P59-A63 PolarHBondContact O-N 3.17Å; S60-A63 VanDerWaalsContact O-CB 3.24Å; S60-A63 WeakPolarHBondContact O-CB 3.24Å; S60-A63 PolarHBondContact O-N 2.84Å; A63-I65 HydrophobicContact CB-CD1 3.99Å; A63-Q85 WeakPolarHBondContact O-CB 3.27Å; A63-Q85 PolarHBondContact O-N 2.54Å; A63-H86 PolarHBondContact O-N 2.89Å; A63-D140 WeakPolarHBondContact CA-OD2 3.47Å
64Q98.4Very high96.9Very high36 Ų3644.2 Ų44.217%0.16824%0.242CC..EExtended strand (participates in β ladder)trans-98120.2173.2-61.1-67.5-50.600108.9H86 Y139 D140 L141Q64-H86 VanDerWaalsContact OE1-CB 3.29Å; Q64-Y139 HydrophobicContact CB-CD1 4.17Å; Q64-Y139 CarbonylContact O-C 3.59Å; Q64-Y139 WeakPolarHBondContact O-CA 3.47Å; Q64-Y139 WeakPolarHBondContact O-CB 3.4Å; Q64-D140 PolarHBondContact N-OD2 3.49Å; Q64-D140 PolarHBondContact O-N 2.88Å; Q64-L141 PolarHBondContact O-N 3.1Å
65I98.7Very high97Very high0 Ų039 Ų390%022%0.223CC..EExtended strand (participates in β ladder)trans-113.8137.4-173.9-45-59.8000110.6L53 A63 W79 V84 H86 V87 T88 Y139 L141L53-I65 HydrophobicContact CD2-CD1 3.68Å; A63-I65 HydrophobicContact CB-CD1 3.99Å; I65-W79 HydrophobicContact CG1-CE3 4.37Å; I65-W79 HydrophobicContact CG2-CD2 4.26Å; I65-W79 HydrophobicContact CG2-CE3 4.08Å; I65-W79 HydrophobicContact CG2-CH2 3.82Å; I65-W79 HydrophobicContact CG2-CZ2 3.97Å; I65-W79 HydrophobicContact CG2-CZ3 3.85Å; I65-V84 HydrophobicContact CD1-CB 4.41Å; I65-V84 HydrophobicContact CD1-CG1 4.02Å; I65-V84 HydrophobicContact CG1-CB 3.87Å; I65-V84 HydrophobicContact CG1-CG1 3.84Å; I65-V84 HydrophobicContact CG1-CG2 4.05Å; I65-H86 PolarHBondContact N-O 3.48Å; I65-V87 HydrophobicContact CB-CB 4.47Å; I65-V87 HydrophobicContact CB-CG1 4.24Å; I65-V87 HydrophobicContact CB-CG2 4.15Å; I65-V87 HydrophobicContact CG1-CG2 4.34Å; I65-V87 HydrophobicContact CG2-CG1 4.37Å; I65-V87 CarbonylContact O-C 3.54Å; I65-V87 WeakPolarHBondContact O-CA 3.33Å; I65-T88 PolarHBondContact O-N 2.88Å; I65-Y139 WeakPolarHBondContact O-CD1 3.49Å; I65-Y139 WeakPolarHBondContact O-CE1 3.42Å; I65-L141 WeakPolarHBondContact CA-O 3.4Å; I65-L141 HydrophobicContact CD1-CB 3.76Å; I65-L141 HydrophobicContact CD1-CD2 4.18Å
66L98.8Very high97.2Very high0 Ų036.5 Ų36.50%021%0.205CC..EExtended strand (participates in β ladder)trans-109.8113.9165.2-178.763.6000109L68 T88 V90 L133 Y139 L141 V142 S143 L168L66-L68 HydrophobicContact CD1-CD2 4.18Å; L66-L68 HydrophobicContact CD2-CD1 4.4Å; L66-L68 HydrophobicContact CD2-CD2 3.72Å; L66-L68 HydrophobicContact CD2-CG 3.95Å; L66-L68 HydrophobicContact CG-CD2 3.82Å; L66-L68 HydrophobicContact CG-CG 3.94Å; L66-T88 HydrophobicContact CD1-CG2 3.76Å; L66-V90 HydrophobicContact CD1-CG2 3.72Å; L66-L133 HydrophobicContact CD1-CD1 4.15Å; L66-Y139 HydrophobicContact CB-CD1 3.79Å; L66-Y139 HydrophobicContact CB-CD2 3.78Å; L66-Y139 HydrophobicContact CB-CE1 4.02Å; L66-Y139 HydrophobicContact CB-CE2 4.04Å; L66-Y139 HydrophobicContact CB-CG 3.65Å; L66-Y139 HydrophobicContact CD1-CE1 4.46Å; L66-Y139 HydrophobicContact CD1-CE2 4.18Å; L66-Y139 HydrophobicContact CD2-CD2 4.11Å; L66-Y139 HydrophobicContact CD2-CE2 4.06Å; L66-Y139 HydrophobicContact CG-CD2 4.43Å; L66-Y139 HydrophobicContact CG-CE2 4.33Å; L66-L141 PolarHBondContact N-O 3.4Å; L66-V142 HydrophobicContact CB-CG1 4.48Å; L66-V142 HydrophobicContact CB-CG2 4.04Å; L66-V142 HydrophobicContact CD2-CG1 4.22Å; L66-V142 HydrophobicContact CD2-CG2 4.05Å; L66-V142 HydrophobicContact CG-CG1 4.49Å; L66-V142 CarbonylContact O-C 3.54Å; L66-V142 WeakPolarHBondContact O-CA 3.46Å; L66-S143 PolarHBondContact O-N 3.04Å; L66-L168 HydrophobicContact CD2-CB 4.33Å; L66-L168 HydrophobicContact CD2-CD1 3.72Å
67D98.8Very high97.1Very high2 Ų240 Ų401%0.01122%0.223CC..EExtended strand (participates in β ladder)trans-96.692.8175-158.5-0.9000108.7C70 W79 V87 T88 F89 V90D67-C70 HydrophobicContact CB-CB 4.15Å; D67-W79 PolarHBondContact OD2-NE1 2.97Å; D67-V87 HydrophobicContact CB-CG1 4.05Å; D67-T88 PolarHBondContact N-O 3.25Å; D67-F89 HydrophobicContact CB-CD1 3.82Å; D67-F89 HydrophobicContact CB-CE1 4.02Å; D67-F89 WeakPolarHBondContact OD2-CE1 3.35Å; D67-V90 PolarHBondContact O-N 3Å
68L98.3Very high97.2Very high1 Ų135 Ų351%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-79.9134.5179.9-71.5-178.5000110.9L66 C70 V90 L129 V142 S143 C144 I165L66-L68 HydrophobicContact CD1-CD2 4.18Å; L66-L68 HydrophobicContact CD2-CD1 4.4Å; L66-L68 HydrophobicContact CD2-CD2 3.72Å; L66-L68 HydrophobicContact CD2-CG 3.95Å; L66-L68 HydrophobicContact CG-CD2 3.82Å; L66-L68 HydrophobicContact CG-CG 3.94Å; L68-C70 VanDerWaalsContact C-N 3.3Å; L68-V90 HydrophobicContact CD2-CB 4.17Å; L68-V90 HydrophobicContact CD2-CG2 4.38Å; L68-L129 HydrophobicContact CD2-CD1 3.67Å; L68-V142 HydrophobicContact CD1-CG1 3.53Å; L68-V142 HydrophobicContact CG-CG1 3.9Å; L68-S143 PolarHBondContact N-O 3.3Å; L68-C144 HydrophobicContact CB-CB 4.28Å; L68-I165 HydrophobicContact CD1-CD1 4.29Å; L68-I165 HydrophobicContact CD1-CG1 3.59Å
69C97.7Very high97.3Very high33 Ų3332.8 Ų32.822%0.22318%0.182CC..THydrogen-bonded Turntrans56.348.8-176.7-47.10000110.6G71 V90 D91 A147C69-G71 PolarHBondContact O-N 2.8Å; C69-G71 VanDerWaalsContact O-N 3.15Å; C69-V90 VanDerWaalsContact CA-O 3.27Å; C69-V90 WeakPolarHBondContact CA-O 3.24Å; C69-V90 PolarHBondContact N-O 3.43Å; C69-D91 WeakPolarHBondContact CA-OD2 3.39Å; C69-A147 HydrophobicContact CB-CB 3.27Å
70C98.1Very high97.3Very high13 Ų1331.2 Ų31.29%0.08817%0.17CC..  trans-68.2-11.3-170.666.70000114.6D67 L68 K72 G73 F89 V90 D91D67-C70 HydrophobicContact CB-CB 4.15Å; L68-C70 VanDerWaalsContact C-N 3.3Å; C70-K72 PolarHBondContact O-N 3.08Å; C70-G73 PolarHBondContact O-N 2.84Å; C70-G73 VanDerWaalsContact O-N 3.13Å; C70-F89 HydrophobicContact CB-CB 4.33Å; C70-F89 HydrophobicContact CB-CD1 3.67Å; C70-F89 HydrophobicContact CB-CG 4.49Å; C70-V90 PolarHBondContact N-O 3.21Å; C70-D91 PolarHBondContact N-OD2 2.97Å
71G96.3Very high97.3Very high14 Ų1436.5 Ų36.514%0.14419%0.185CC..THydrogen-bonded Turntrans49.5-131-171.900000111.2C69 G73 D91 S96C69-G71 PolarHBondContact O-N 2.8Å; C69-G71 VanDerWaalsContact O-N 3.15Å; G71-G73 PolarHBondContact O-N 2.81Å; G71-G73 VanDerWaalsContact O-N 3.08Å; G71-D91 WeakPolarHBondContact CA-OD2 3.35Å; G71-D91 PolarHBondContact N-OD2 3.35Å; G71-S96 CarbonylContact O-C 3.55Å
72K95.7Very high97.3Very high43 Ų4331.9 Ų31.919%0.18716%0.163CC..THydrogen-bonded Turntrans-80.721.6-177.4-54.4-175.6-63.8179.10113.4A17 A18 N24 C70 V99 R103A17-K72 PolarHBondContact O-NZ 3.23Å; A18-K72 HydrophobicContact CB-CD 4.02Å; A18-K72 HydrophobicContact CB-CG 4.33Å; N24-K72 WeakPolarHBondContact OD1-CE 3.42Å; N24-K72 PolarHBondContact OD1-NZ 2.89Å; C70-K72 PolarHBondContact O-N 3.08Å; K72-V99 HydrophobicContact CB-CB 4.34Å; K72-V99 HydrophobicContact CB-CG1 3.86Å; K72-V99 HydrophobicContact CD-CG1 4.34Å; K72-V99 HydrophobicContact CG-CB 4.38Å; K72-V99 HydrophobicContact CG-CG1 4.23Å; K72-R103 WeakPolarHBondContact O-CD 3.34Å; K72-R103 PolarHBondContact O-NH1 2.7Å
73G96.6Very high97.2Very high4 Ų425.7 Ų25.74%0.04115%0.152CC..THydrogen-bonded Turntrans7133178.800000115.1C70 G71 D75 Q76 C100C70-G73 PolarHBondContact O-N 2.84Å; C70-G73 VanDerWaalsContact O-N 3.13Å; G71-G73 PolarHBondContact O-N 2.81Å; G71-G73 VanDerWaalsContact O-N 3.08Å; G73-D75 PolarHBondContact O-N 3.13Å; G73-D75 VanDerWaalsContact O-N 3.08Å; G73-Q76 WeakPolarHBondContact O-CG 3.36Å; G73-Q76 PolarHBondContact O-N 2.9Å; G73-C100 WeakPolarHBondContact CA-SG 3.32Å
74G95Very high97.2Very high45 Ų4526.1 Ų26.146%0.46415%0.154SC..THydrogen-bonded Turntrans-63.2-14.6-177.800000115K78G74-K78 PolarHBondContact O-NZ 2.9Å
75D97.7Very high97.2Very high9 Ų928.7 Ų28.75%0.04817%0.166CC..THydrogen-bonded Turntrans-101.6-2.7-178.3-66.2-22.3000113.7K45 I49 G73 L77 K78 W79K45-D75 WeakPolarHBondContact CE-OD1 3.44Å; K45-D75 VanDerWaalsContact NZ-CG 3.25Å; K45-D75 IonicContact NZ-OD1 3.65Å; K45-D75 PolarHBondContact NZ-OD1 3.08Å; K45-D75 IonicContact NZ-OD2 2.65Å; K45-D75 PolarHBondContact NZ-OD2 3.32Å; I49-D75 HydrophobicContact CD1-CB 4.49Å; G73-D75 PolarHBondContact O-N 3.13Å; G73-D75 VanDerWaalsContact O-N 3.08Å; D75-L77 VanDerWaalsContact C-N 3.34Å; D75-L77 PolarHBondContact O-N 3.41Å; D75-K78 HydrophobicContact CB-CD 4.25Å; D75-K78 WeakPolarHBondContact O-CA 3.38Å; D75-K78 VanDerWaalsContact O-CB 3.23Å; D75-K78 WeakPolarHBondContact O-CB 3.32Å; D75-K78 PolarHBondContact O-N 3.12Å; D75-K78 WeakPolarHBondContact OD1-CD 3.21Å; D75-K78 VanDerWaalsContact OD1-CE 3.27Å; D75-K78 WeakPolarHBondContact OD1-CE 3.38Å; D75-K78 IonicContact OD1-NZ 3.9Å; D75-K78 PolarHBondContact OD1-NZ 3.31Å; D75-W79 VanDerWaalsContact O-CD1 3.29Å; D75-W79 PolarHBondContact O-N 3.41Å; D75-W79 VanDerWaalsContact O-N 3.08Å
76Q98Very high97.2Very high7 Ų729.6 Ų29.63%0.03317%0.17CC..Hα-helixtrans-52.4-44.8178.4-72.6178.518.900114G73 K78 W79 L80 F89 C100 Y104 L107 F115G73-Q76 WeakPolarHBondContact O-CG 3.36Å; G73-Q76 PolarHBondContact O-N 2.9Å; Q76-K78 PolarHBondContact O-N 3.38Å; Q76-W79 PolarHBondContact O-N 2.85Å; Q76-L80 PolarHBondContact O-N 2.92Å; Q76-F89 HydrophobicContact CG-CE1 3.98Å; Q76-F89 HydrophobicContact CG-CE2 4.43Å; Q76-F89 HydrophobicContact CG-CZ 3.64Å; Q76-C100 PolarHBondContact NE2-O 3.04Å; Q76-C100 PolarHBondContact NE2-SG 3.44Å; Q76-Y104 VanDerWaalsContact OE1-CA 3.3Å; Q76-Y104 VanDerWaalsContact OE1-N 3.13Å; Q76-L107 HydrophobicContact CB-CD2 4.43Å; Q76-F115 HydrophobicContact CB-CZ 4.31Å; Q76-F115 HydrophobicContact CG-CZ 4.44Å; Q76-F115 WeakPolarHBondContact O-CE1 3.3Å
77L96.1Very high97.2Very high90 Ų9029.6 Ų29.647%0.47117%0.17SC..Hα-helixtrans-66.6-23.9177.3-70.8179.5000112.9D75 L80 R81 L107D75-L77 VanDerWaalsContact C-N 3.34Å; D75-L77 PolarHBondContact O-N 3.41Å; L77-L80 HydrophobicContact CD2-CD2 4.31Å; L77-R81 WeakPolarHBondContact O-CB 3.31Å; L77-R81 WeakPolarHBondContact O-CD 3.19Å; L77-R81 WeakPolarHBondContact O-CG 3.39Å; L77-R81 PolarHBondContact O-N 2.86Å; L77-R81 VanDerWaalsContact O-N 3.1Å; L77-L107 HydrophobicContact CD2-CD1 3.56Å; L77-L107 HydrophobicContact CD2-CD2 4.45Å
78K96.9Very high97.2Very high13 Ų1329.5 Ų29.56%0.05717%0.17CC..Hα-helixtrans-74.9-43.5175.4-53.3-178.8-177.266.10109.8N42 K45 S46 I49 G74 D75 Q76 R81 G82N42-K78 WeakPolarHBondContact O-CE 3.27Å; N42-K78 WeakPolarHBondContact OD1-CE 3.38Å; N42-K78 PolarHBondContact OD1-NZ 3.35Å; K45-K78 HydrophobicContact CB-CD 4.2Å; S46-K78 WeakPolarHBondContact OG-CE 3.4Å; I49-K78 HydrophobicContact CD1-CB 4.37Å; I49-K78 HydrophobicContact CD1-CD 3.72Å; I49-K78 HydrophobicContact CG2-CB 4.46Å; G74-K78 PolarHBondContact O-NZ 2.9Å; D75-K78 HydrophobicContact CB-CD 4.25Å; D75-K78 WeakPolarHBondContact O-CA 3.38Å; D75-K78 VanDerWaalsContact O-CB 3.23Å; D75-K78 WeakPolarHBondContact O-CB 3.32Å; D75-K78 PolarHBondContact O-N 3.12Å; D75-K78 WeakPolarHBondContact OD1-CD 3.21Å; D75-K78 VanDerWaalsContact OD1-CE 3.27Å; D75-K78 WeakPolarHBondContact OD1-CE 3.38Å; D75-K78 IonicContact OD1-NZ 3.9Å; D75-K78 PolarHBondContact OD1-NZ 3.31Å; Q76-K78 PolarHBondContact O-N 3.38Å; K78-R81 PolarHBondContact O-N 3.15Å; K78-G82 PolarHBondContact O-N 3.06Å
79W98.3Very high97.2Very high0 Ų029.5 Ų29.50%017%0.17CC..Hα-helixtrans-61.4-44173.3-56.6134.8000112I49 L53 I65 D67 D75 Q76 R81 G82 G83 V84 V87 F115 L141I49-W79 HydrophobicContact CB-CH2 4.47Å; I49-W79 HydrophobicContact CB-CZ3 4.43Å; I49-W79 HydrophobicContact CD1-CH2 3.98Å; I49-W79 HydrophobicContact CD1-CZ2 4.06Å; I49-W79 HydrophobicContact CG1-CH2 3.96Å; I49-W79 HydrophobicContact CG1-CZ3 4.41Å; I49-W79 HydrophobicContact CG2-CE3 3.81Å; I49-W79 HydrophobicContact CG2-CH2 3.71Å; I49-W79 HydrophobicContact CG2-CZ3 3.27Å; L53-W79 HydrophobicContact CD1-CE3 4.3Å; L53-W79 HydrophobicContact CD1-CZ3 4.3Å; L53-W79 HydrophobicContact CD2-CZ3 4.27Å; L53-W79 HydrophobicContact CG-CZ3 4.41Å; I65-W79 HydrophobicContact CG1-CE3 4.37Å; I65-W79 HydrophobicContact CG2-CD2 4.26Å; I65-W79 HydrophobicContact CG2-CE3 4.08Å; I65-W79 HydrophobicContact CG2-CH2 3.82Å; I65-W79 HydrophobicContact CG2-CZ2 3.97Å; I65-W79 HydrophobicContact CG2-CZ3 3.85Å; D67-W79 PolarHBondContact OD2-NE1 2.97Å; D75-W79 VanDerWaalsContact O-CD1 3.29Å; D75-W79 PolarHBondContact O-N 3.41Å; D75-W79 VanDerWaalsContact O-N 3.08Å; Q76-W79 PolarHBondContact O-N 2.85Å; W79-R81 PolarHBondContact O-N 3.03Å; W79-G82 PolarHBondContact O-N 2.87Å; W79-G82 VanDerWaalsContact O-N 3.17Å; W79-G83 PolarHBondContact O-N 3.33Å; W79-G83 VanDerWaalsContact O-N 3.14Å; W79-V84 HydrophobicContact CB-CG2 3.87Å; W79-V84 HydrophobicContact CE3-CG1 4.36Å; W79-V84 PolarHBondContact O-N 2.85Å; W79-V87 HydrophobicContact CB-CG2 3.86Å; W79-V87 HydrophobicContact CG-CG1 4.48Å; W79-V87 HydrophobicContact CG-CG2 3.97Å; W79-F115 HydrophobicContact CB-CD1 4.09Å; W79-F115 HydrophobicContact CB-CE1 3.66Å; W79-F115 HydrophobicContact CB-CZ 4.13Å; W79-L141 HydrophobicContact CH2-CD2 3.92Å; W79-L141 HydrophobicContact CZ3-CD2 3.8Å
80L97.3Very high97.3Very high37 Ų3727.9 Ų27.919%0.19416%0.159CC..Hα-helixtrans-59.1-47.3174.9178.165.6000111.6Q76 L77 G82 G83 L107 K111 S113 V114 F115Q76-L80 PolarHBondContact O-N 2.92Å; L77-L80 HydrophobicContact CD2-CD2 4.31Å; L80-G82 VanDerWaalsContact C-N 3.28Å; L80-G82 PolarHBondContact O-N 2.78Å; L80-G83 PolarHBondContact O-N 3.2Å; L80-L107 HydrophobicContact CB-CD2 4.34Å; L80-L107 HydrophobicContact CD2-CD1 3.78Å; L80-L107 HydrophobicContact CD2-CD2 4.06Å; L80-L107 HydrophobicContact CD2-CG 4.14Å; L80-K111 HydrophobicContact CD2-CD 4.45Å; L80-K111 HydrophobicContact CD2-CG 3.98Å; L80-S113 WeakPolarHBondContact CD1-O 3.4Å; L80-V114 HydrophobicContact CD1-CB 4.4Å; L80-V114 HydrophobicContact CD1-CG1 4.32Å; L80-V114 HydrophobicContact CD1-CG2 4.23Å; L80-F115 HydrophobicContact CB-CD1 4.42Å; L80-F115 HydrophobicContact CB-CE1 4.02Å
81R94.6Very high97.3Very high144 Ų14427.9 Ų27.954%0.54316%0.158SC..Hα-helixtrans-67.8-29.2177.9-74.2173-177.3179.52.4113L77 K78 W79 G83L77-R81 WeakPolarHBondContact O-CB 3.31Å; L77-R81 WeakPolarHBondContact O-CD 3.19Å; L77-R81 WeakPolarHBondContact O-CG 3.39Å; L77-R81 PolarHBondContact O-N 2.86Å; L77-R81 VanDerWaalsContact O-N 3.1Å; K78-R81 PolarHBondContact O-N 3.15Å; W79-R81 PolarHBondContact O-N 3.03Å; R81-G83 PolarHBondContact O-N 2.79Å
82G95.7Very high97.3Very high12 Ų1229.2 Ų29.212%0.12416%0.162CC..Hα-helixtrans-67.8-16.7170.500000112.8S60 K78 W79 L80 V84S60-G82 WeakPolarHBondContact CB-O 3.48Å; K78-G82 PolarHBondContact O-N 3.06Å; W79-G82 PolarHBondContact O-N 2.87Å; W79-G82 VanDerWaalsContact O-N 3.17Å; L80-G82 VanDerWaalsContact C-N 3.28Å; L80-G82 PolarHBondContact O-N 2.78Å; G82-V84 VanDerWaalsContact C-N 3.29Å; G82-V84 PolarHBondContact O-N 2.83Å
83G96.5Very high97.3Very high37 Ų3727.2 Ų27.238%0.38115%0.153SC..THydrogen-bonded Turntrans63.237.8-177.700000111.7S60 N61 W79 L80 R81S60-G83 CarbonylContact C-O 3.19Å; N61-G83 WeakPolarHBondContact CA-O 3.4Å; N61-G83 PolarHBondContact N-O 3.04Å; N61-G83 VanDerWaalsContact N-O 3.13Å; W79-G83 PolarHBondContact O-N 3.33Å; W79-G83 VanDerWaalsContact O-N 3.14Å; L80-G83 PolarHBondContact O-N 3.2Å; R81-G83 PolarHBondContact O-N 2.79Å
84V98.2Very high97.3Very high9 Ų933 Ų336%0.05518%0.177CC..  trans-69.8159.5-179.6-54.40000111.8L53 S60 I65 W79 G82 V87 F115L53-V84 HydrophobicContact CD1-CG1 3.85Å; L53-V84 HydrophobicContact CD2-CG1 3.73Å; L53-V84 HydrophobicContact CG-CG1 4.47Å; S60-V84 VanDerWaalsContact O-CA 3.22Å; S60-V84 WeakPolarHBondContact O-CA 3.42Å; I65-V84 HydrophobicContact CD1-CB 4.41Å; I65-V84 HydrophobicContact CD1-CG1 4.02Å; I65-V84 HydrophobicContact CG1-CB 3.87Å; I65-V84 HydrophobicContact CG1-CG1 3.84Å; I65-V84 HydrophobicContact CG1-CG2 4.05Å; W79-V84 HydrophobicContact CB-CG2 3.87Å; W79-V84 HydrophobicContact CE3-CG1 4.36Å; W79-V84 PolarHBondContact O-N 2.85Å; G82-V84 VanDerWaalsContact C-N 3.29Å; G82-V84 PolarHBondContact O-N 2.83Å; V84-V87 HydrophobicContact CG2-CG2 3.53Å; V84-F115 HydrophobicContact CG2-CB 3.93Å; V84-F115 HydrophobicContact CG2-CD1 4.02Å; V84-F115 HydrophobicContact CG2-CG 4.07Å; V84-F115 WeakPolarHBondContact O-CB 3.47Å
85Q98Very high97.3Very high90 Ų9033.1 Ų33.142%0.42117%0.165SC..SBendtrans-80.3-50.2179.6-169.3179.420.500111.9S60 N61 R62 A63 F115 T116S60-Q85 PolarHBondContact O-N 3.44Å; N61-Q85 WeakPolarHBondContact O-CB 3.42Å; R62-Q85 PolarHBondContact O-OE1 3.29Å; A63-Q85 WeakPolarHBondContact O-CB 3.27Å; A63-Q85 PolarHBondContact O-N 2.54Å; Q85-F115 VanDerWaalsContact O-CA 3.31Å; Q85-F115 WeakPolarHBondContact O-CA 3.3Å; Q85-F115 WeakPolarHBondContact O-CB 3.28Å; Q85-T116 PolarHBondContact O-N 2.97Å; Q85-T116 PolarHBondContact O-OG1 3.16Å
86H98.5Very high97.3Very high18 Ų1832.7 Ų32.78%0.08316%0.163CC..EExtended strand (participates in β ladder)trans-144.6147-173-176.683.3000111A63 Q64 I65 T88 T116 D118A63-H86 PolarHBondContact O-N 2.89Å; Q64-H86 VanDerWaalsContact OE1-CB 3.29Å; I65-H86 PolarHBondContact N-O 3.48Å; H86-T88 PolarHBondContact NE2-OG1 3.3Å; H86-T116 CarbonylContact C-O 3.55Å; H86-T116 VanDerWaalsContact CA-O 3.24Å; H86-T116 WeakPolarHBondContact CA-O 3.4Å; H86-T116 PolarHBondContact ND1-O 3.4Å; H86-T116 PolarHBondContact ND1-OG1 2.74Å; H86-D118 IonicContact CE1-OD2 3.4Å; H86-D118 PolarHBondContact CE1-OD2 2.9Å; H86-D118 IonicContact NE2-OD2 2.59Å; H86-D118 PolarHBondContact NE2-OD2 3.31Å
87V98.8Very high97.3Very high0 Ų032.4 Ų32.40%016%0.162CC..EExtended strand (participates in β ladder)trans-134.5120.6174.1-169.80000110.7I65 D67 W79 V84 F89 F115 T116 A117 D118I65-V87 HydrophobicContact CB-CB 4.47Å; I65-V87 HydrophobicContact CB-CG1 4.24Å; I65-V87 HydrophobicContact CB-CG2 4.15Å; I65-V87 HydrophobicContact CG1-CG2 4.34Å; I65-V87 HydrophobicContact CG2-CG1 4.37Å; I65-V87 CarbonylContact O-C 3.54Å; I65-V87 WeakPolarHBondContact O-CA 3.33Å; D67-V87 HydrophobicContact CB-CG1 4.05Å; W79-V87 HydrophobicContact CB-CG2 3.86Å; W79-V87 HydrophobicContact CG-CG1 4.48Å; W79-V87 HydrophobicContact CG-CG2 3.97Å; V84-V87 HydrophobicContact CG2-CG2 3.53Å; V87-F89 HydrophobicContact CB-CD2 4.45Å; V87-F89 HydrophobicContact CB-CE2 3.73Å; V87-F89 HydrophobicContact CB-CZ 3.79Å; V87-F89 HydrophobicContact CG1-CD1 4.16Å; V87-F89 HydrophobicContact CG1-CD2 4.14Å; V87-F89 HydrophobicContact CG1-CE1 3.65Å; V87-F89 HydrophobicContact CG1-CE2 3.63Å; V87-F89 HydrophobicContact CG1-CG 4.39Å; V87-F89 HydrophobicContact CG1-CZ 3.35Å; V87-F89 HydrophobicContact CG2-CZ 4.49Å; V87-F115 HydrophobicContact CB-CD2 3.9Å; V87-F115 HydrophobicContact CB-CE2 3.94Å; V87-F115 HydrophobicContact CG2-CB 4.42Å; V87-F115 HydrophobicContact CG2-CD1 4.28Å; V87-F115 HydrophobicContact CG2-CD2 3.51Å; V87-F115 HydrophobicContact CG2-CE1 4.48Å; V87-F115 HydrophobicContact CG2-CE2 3.74Å; V87-F115 HydrophobicContact CG2-CG 3.81Å; V87-F115 HydrophobicContact CG2-CZ 4.23Å; V87-T116 PolarHBondContact N-O 2.82Å; V87-A117 WeakPolarHBondContact O-CA 3.35Å; V87-A117 WeakPolarHBondContact O-CB 3.24Å; V87-D118 PolarHBondContact O-N 3.35Å
88T98.8Very high97.4Very high1 Ų132 Ų321%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-91.1120.6167.8-59.20000109.2I65 L66 D67 H86 V90 D118 F120 L133 Y139I65-T88 PolarHBondContact O-N 2.88Å; L66-T88 HydrophobicContact CD1-CG2 3.76Å; D67-T88 PolarHBondContact N-O 3.25Å; H86-T88 PolarHBondContact NE2-OG1 3.3Å; T88-V90 HydrophobicContact CG2-CG2 4.04Å; T88-D118 HydrophobicContact CG2-CB 4.47Å; T88-F120 HydrophobicContact CG2-CD2 3.71Å; T88-F120 HydrophobicContact CG2-CE2 3.87Å; T88-L133 HydrophobicContact CG2-CD2 4.15Å; T88-Y139 VanDerWaalsContact CB-OH 3.31Å; T88-Y139 WeakPolarHBondContact CB-OH 3.44Å; T88-Y139 VanDerWaalsContact OG1-CE1 3.32Å; T88-Y139 WeakPolarHBondContact OG1-CE1 3.26Å; T88-Y139 PolarHBondContact OG1-OH 3.07Å
89F98.8Very high97.3Very high0 Ų032.8 Ų32.80%016%0.164CC..EExtended strand (participates in β ladder)trans-98.3123.1177.2-66.6-77.4000110D67 C70 Q76 V87 I97 F115 A117 D118 F119 F120D67-F89 HydrophobicContact CB-CD1 3.82Å; D67-F89 HydrophobicContact CB-CE1 4.02Å; D67-F89 WeakPolarHBondContact OD2-CE1 3.35Å; C70-F89 HydrophobicContact CB-CB 4.33Å; C70-F89 HydrophobicContact CB-CD1 3.67Å; C70-F89 HydrophobicContact CB-CG 4.49Å; Q76-F89 HydrophobicContact CG-CE1 3.98Å; Q76-F89 HydrophobicContact CG-CE2 4.43Å; Q76-F89 HydrophobicContact CG-CZ 3.64Å; V87-F89 HydrophobicContact CB-CD2 4.45Å; V87-F89 HydrophobicContact CB-CE2 3.73Å; V87-F89 HydrophobicContact CB-CZ 3.79Å; V87-F89 HydrophobicContact CG1-CD1 4.16Å; V87-F89 HydrophobicContact CG1-CD2 4.14Å; V87-F89 HydrophobicContact CG1-CE1 3.65Å; V87-F89 HydrophobicContact CG1-CE2 3.63Å; V87-F89 HydrophobicContact CG1-CG 4.39Å; V87-F89 HydrophobicContact CG1-CZ 3.35Å; V87-F89 HydrophobicContact CG2-CZ 4.49Å; F89-I97 HydrophobicContact CB-CD1 4.45Å; F89-F115 AromaticContact CE2-CE2 3.88Å; F89-F115 HydrophobicContact CE2-CE2 3.88Å; F89-F115 AromaticContact CZ-CE2 3.99Å; F89-F115 HydrophobicContact CZ-CE2 3.99Å; F89-F115 HydrophobicContact CZ-CZ 4.21Å; F89-A117 HydrophobicContact CD2-CB 4.18Å; F89-A117 HydrophobicContact CE2-CB 3.91Å; F89-D118 PolarHBondContact N-O 2.8Å; F89-F119 HydrophobicContact CB-CD1 3.89Å; F89-F119 HydrophobicContact CB-CE1 4.25Å; F89-F119 AromaticContact CD2-CD1 3.97Å; F89-F119 HydrophobicContact CD2-CD1 3.97Å; F89-F119 AromaticContact CD2-CE1 3.51Å; F89-F119 HydrophobicContact CD2-CE1 3.51Å; F89-F119 HydrophobicContact CD2-CZ 4.05Å; F89-F119 HydrophobicContact CE2-CE1 4.16Å; F89-F119 HydrophobicContact CE2-CZ 4.43Å; F89-F119 HydrophobicContact CG-CD1 4.24Å; F89-F119 HydrophobicContact CG-CE1 4.09Å; F89-F119 WeakPolarHBondContact O-CA 3.5Å; F89-F120 PolarHBondContact O-N 2.91Å
90V98.6Very high97.3Very high0 Ų032.8 Ų32.80%016%0.164CC..EExtended strand (participates in β ladder)trans-125.1134.3176.5-169.70000109.1L66 D67 L68 C69 C70 T88 F120 A122 L129 L133L66-V90 HydrophobicContact CD1-CG2 3.72Å; D67-V90 PolarHBondContact O-N 3Å; L68-V90 HydrophobicContact CD2-CB 4.17Å; L68-V90 HydrophobicContact CD2-CG2 4.38Å; C69-V90 VanDerWaalsContact CA-O 3.27Å; C69-V90 WeakPolarHBondContact CA-O 3.24Å; C69-V90 PolarHBondContact N-O 3.43Å; C70-V90 PolarHBondContact N-O 3.21Å; T88-V90 HydrophobicContact CG2-CG2 4.04Å; V90-F120 WeakPolarHBondContact CA-O 3.03Å; V90-F120 HydrophobicContact CG2-CB 4.35Å; V90-A122 HydrophobicContact CG1-CB 3.9Å; V90-L129 HydrophobicContact CG1-CD2 4.41Å; V90-L133 HydrophobicContact CG2-CD2 4.03Å
91D98.2Very high97.4Very high13 Ų1334.6 Ų34.67%0.0717%0.168CC..EExtended strand (participates in β ladder)trans-149.4160.1172.2-157-86.1000110.7C69 C70 G71 S93 I97 F120 V121 A122C69-D91 WeakPolarHBondContact CA-OD2 3.39Å; C70-D91 PolarHBondContact N-OD2 2.97Å; G71-D91 WeakPolarHBondContact CA-OD2 3.35Å; G71-D91 PolarHBondContact N-OD2 3.35Å; D91-S93 PolarHBondContact OD1-N 3.45Å; D91-I97 HydrophobicContact CB-CD1 3.79Å; D91-I97 HydrophobicContact CB-CG1 3.79Å; D91-F120 PolarHBondContact N-O 3.34Å; D91-V121 CarbonylContact O-C 3.48Å; D91-V121 VanDerWaalsContact O-CA 3.29Å; D91-V121 WeakPolarHBondContact O-CA 3.48Å; D91-A122 CarbonylContact C-O 3.56Å; D91-A122 PolarHBondContact O-N 3.47Å
92L96.1Very high97.5Very high41 Ų4132.1 Ų32.122%0.21516%0.162CC..SBendtrans-75-35176.8-179.666.6000111.6R7 I11 A122 D123R7-L92 HydrophobicContact CG-CD2 4.04Å; I11-L92 HydrophobicContact CD1-CD1 4.01Å; I11-L92 HydrophobicContact CD1-CD2 3.82Å; I11-L92 HydrophobicContact CD1-CG 3.86Å; I11-L92 HydrophobicContact CG1-CD1 4.26Å; I11-L92 HydrophobicContact CG1-CD2 3.32Å; I11-L92 HydrophobicContact CG1-CG 3.55Å; L92-A122 WeakPolarHBondContact CA-O 3.2Å; L92-A122 PolarHBondContact N-O 2.97Å; L92-D123 HydrophobicContact CD1-CB 3.47Å; L92-D123 VanDerWaalsContact CD1-CB 3.47Å; L92-D123 WeakPolarHBondContact CD1-OD2 3.29Å
93S96Very high97.5Very high1 Ų134.8 Ų34.81%0.00717%0.168CC..  trans-85.1118.2-178.2167.50000111D15 D91 E95 S96 I97D15-S93 WeakPolarHBondContact OD1-CB 3.26Å; D15-S93 PolarHBondContact OD1-OG 3.48Å; D91-S93 PolarHBondContact OD1-N 3.45Å; S93-E95 VanDerWaalsContact C-N 3.31Å; S93-E95 PolarHBondContact O-N 3.09Å; S93-S96 WeakPolarHBondContact CB-OG 3.36Å; S93-S96 PolarHBondContact O-N 3.13Å; S93-S96 WeakPolarHBondContact OG-CB 3.36Å; S93-S96 PolarHBondContact OG-N 3.24Å; S93-S96 PolarHBondContact OG-OG 2.88Å; S93-I97 PolarHBondContact O-N 2.8Å; S93-I97 VanDerWaalsContact O-N 3.09Å
94K96.6Very high97.6Very high126 Ų12634.6 Ų34.655%0.54816%0.157SC..Hα-helixtrans-61.5-43.8176.7178.6178.9178.4-176.10110.8S96 I97 E98 V121K94-S96 VanDerWaalsContact C-N 3.31Å; K94-S96 PolarHBondContact O-N 2.83Å; K94-I97 WeakPolarHBondContact O-CB 3.41Å; K94-I97 PolarHBondContact O-N 3.4Å; K94-I97 VanDerWaalsContact O-N 3.17Å; K94-E98 WeakPolarHBondContact O-CG 3.27Å; K94-E98 PolarHBondContact O-N 3.43Å; K94-V121 HydrophobicContact CB-CG1 4.19Å; K94-V121 HydrophobicContact CB-CG2 4.04Å; K94-V121 HydrophobicContact CG-CG2 4.13Å
95E96.5Very high97.6Very high47 Ų4737.9 Ų37.922%0.2217%0.171CC..Hα-helixtrans-61.3-41.4179-73.563.3-162.500111D15 A18 R19 S93 I97 E98 V99D15-E95 HydrophobicContact CB-CB 4.39Å; D15-E95 HydrophobicContact CB-CG 4.16Å; A18-E95 HydrophobicContact CB-CB 3.72Å; R19-E95 HydrophobicContact CG-CG 4.01Å; R19-E95 IonicContact CZ-OE1 3.33Å; R19-E95 IonicContact NE-OE1 2.67Å; R19-E95 IonicContact NH2-OE1 3.96Å; R19-E95 PolarHBondContact NH2-OE1 3.46Å; R19-E95 IonicContact NH2-OE2 3.54Å; S93-E95 VanDerWaalsContact C-N 3.31Å; S93-E95 PolarHBondContact O-N 3.09Å; E95-I97 VanDerWaalsContact C-N 3.34Å; E95-E98 PolarHBondContact O-N 2.99Å; E95-V99 WeakPolarHBondContact O-CG2 3.34Å; E95-V99 PolarHBondContact O-N 3.48Å
96S96.4Very high97.5Very high0 Ų037.6 Ų37.60%017%0.17CC..Hα-helixtrans-63.2-41.5175.3-66.40000111.8G71 S93 K94 V99 C100G71-S96 CarbonylContact O-C 3.55Å; S93-S96 WeakPolarHBondContact CB-OG 3.36Å; S93-S96 PolarHBondContact O-N 3.13Å; S93-S96 WeakPolarHBondContact OG-CB 3.36Å; S93-S96 PolarHBondContact OG-N 3.24Å; S93-S96 PolarHBondContact OG-OG 2.88Å; K94-S96 VanDerWaalsContact C-N 3.31Å; K94-S96 PolarHBondContact O-N 2.83Å; S96-V99 PolarHBondContact O-N 2.66Å; S96-C100 VanDerWaalsContact O-CB 3.32Å; S96-C100 WeakPolarHBondContact O-CB 3.49Å; S96-C100 PolarHBondContact O-N 3.04Å
97I98Very high97.4Very high1 Ų137.5 Ų37.51%0.00517%0.17CC..Hα-helixtrans-63.3-41.7174.4-74.5-65.3000112.2F89 D91 S93 K94 E95 V99 C100 R101 F119 F120 V121F89-I97 HydrophobicContact CB-CD1 4.45Å; D91-I97 HydrophobicContact CB-CD1 3.79Å; D91-I97 HydrophobicContact CB-CG1 3.79Å; S93-I97 PolarHBondContact O-N 2.8Å; S93-I97 VanDerWaalsContact O-N 3.09Å; K94-I97 WeakPolarHBondContact O-CB 3.41Å; K94-I97 PolarHBondContact O-N 3.4Å; K94-I97 VanDerWaalsContact O-N 3.17Å; E95-I97 VanDerWaalsContact C-N 3.34Å; I97-V99 PolarHBondContact O-N 2.65Å; I97-C100 WeakPolarHBondContact O-CB 3.41Å; I97-C100 PolarHBondContact O-N 2.94Å; I97-R101 WeakPolarHBondContact O-CB 3.47Å; I97-R101 PolarHBondContact O-N 3.41Å; I97-F119 HydrophobicContact CG2-CB 3.93Å; I97-F120 WeakPolarHBondContact CD1-O 3.44Å; I97-F120 WeakPolarHBondContact CG1-O 3.21Å; I97-V121 HydrophobicContact CB-CG2 4.04Å; I97-V121 HydrophobicContact CG1-CG2 4.06Å; I97-V121 HydrophobicContact CG2-CG2 4.11Å
98E97.6Very high97.3Very high83 Ų8339.8 Ų39.839%0.38819%0.186SC..Hα-helixtrans-62.7-43.1176.3-68-53.3142.500111.7K94 E95 C100 R101 H102K94-E98 WeakPolarHBondContact O-CG 3.27Å; K94-E98 PolarHBondContact O-N 3.43Å; E95-E98 PolarHBondContact O-N 2.99Å; E98-C100 VanDerWaalsContact C-N 3.33Å; E98-C100 PolarHBondContact O-N 3.22Å; E98-R101 PolarHBondContact O-N 3.4Å; E98-R101 IonicContact OE1-CZ 3.86Å; E98-R101 IonicContact OE1-NH1 2.7Å; E98-R101 PolarHBondContact OE1-NH1 3.2Å; E98-R101 IonicContact OE1-NH2 3.68Å; E98-R101 IonicContact OE2-CZ 3.58Å; E98-R101 IonicContact OE2-NH1 2.73Å; E98-R101 PolarHBondContact OE2-NH1 2.91Å; E98-H102 WeakPolarHBondContact O-CB 3.47Å; E98-H102 PolarHBondContact O-N 3.2Å
99V96.7Very high97.2Very high29 Ų2948.5 Ų48.518%0.17622%0.218CC..Hα-helixtrans-63.8-40.2174176.50000111.2A18 K72 E95 S96 I97 H102 R103A18-V99 HydrophobicContact CB-CG2 4.21Å; K72-V99 HydrophobicContact CB-CB 4.34Å; K72-V99 HydrophobicContact CB-CG1 3.86Å; K72-V99 HydrophobicContact CD-CG1 4.34Å; K72-V99 HydrophobicContact CG-CB 4.38Å; K72-V99 HydrophobicContact CG-CG1 4.23Å; E95-V99 WeakPolarHBondContact O-CG2 3.34Å; E95-V99 PolarHBondContact O-N 3.48Å; S96-V99 PolarHBondContact O-N 2.66Å; I97-V99 PolarHBondContact O-N 2.65Å; V99-H102 PolarHBondContact O-N 3.27Å; V99-R103 WeakPolarHBondContact O-CB 3.38Å; V99-R103 WeakPolarHBondContact O-CG 3.46Å; V99-R103 PolarHBondContact O-N 3.49Å
100C97.9Very high97Very high0 Ų054.4 Ų54.40%025%0.25CC..Hα-helixtrans-58.9-50.3175.1-172.70000110.8G73 Q76 S96 I97 E98 H102 R103 Y104 F119G73-C100 WeakPolarHBondContact CA-SG 3.32Å; Q76-C100 PolarHBondContact NE2-O 3.04Å; Q76-C100 PolarHBondContact NE2-SG 3.44Å; S96-C100 VanDerWaalsContact O-CB 3.32Å; S96-C100 WeakPolarHBondContact O-CB 3.49Å; S96-C100 PolarHBondContact O-N 3.04Å; I97-C100 WeakPolarHBondContact O-CB 3.41Å; I97-C100 PolarHBondContact O-N 2.94Å; E98-C100 VanDerWaalsContact C-N 3.33Å; E98-C100 PolarHBondContact O-N 3.22Å; C100-H102 PolarHBondContact O-N 3.37Å; C100-R103 PolarHBondContact O-N 3.47Å; C100-Y104 PolarHBondContact O-N 2.94Å; C100-F119 HydrophobicContact CB-CD1 4.49Å; C100-F119 HydrophobicContact CB-CE1 4.47Å
101R98.3Very high96.8Very high74 Ų7459.8 Ų59.828%0.27927%0.273SS..Hα-helixtrans-58.6-48177.2-174.4-176.7-62.7131.81.5111.6I97 E98 R103 Y104 E105 F119I97-R101 WeakPolarHBondContact O-CB 3.47Å; I97-R101 PolarHBondContact O-N 3.41Å; E98-R101 PolarHBondContact O-N 3.4Å; E98-R101 IonicContact OE1-CZ 3.86Å; E98-R101 IonicContact OE1-NH1 2.7Å; E98-R101 PolarHBondContact OE1-NH1 3.2Å; E98-R101 IonicContact OE1-NH2 3.68Å; E98-R101 IonicContact OE2-CZ 3.58Å; E98-R101 IonicContact OE2-NH1 2.73Å; E98-R101 PolarHBondContact OE2-NH1 2.91Å; R101-R103 VanDerWaalsContact C-N 3.33Å; R101-R103 PolarHBondContact O-N 3.3Å; R101-Y104 WeakPolarHBondContact O-CB 3.23Å; R101-Y104 PolarHBondContact O-N 2.93Å; R101-Y104 VanDerWaalsContact O-N 3.09Å; R101-E105 WeakPolarHBondContact O-CG 3.44Å; R101-E105 PolarHBondContact O-N 2.87Å; R101-F119 HydrophobicContact CB-CD1 4Å; R101-F119 HydrophobicContact CB-CD2 4.26Å; R101-F119 HydrophobicContact CB-CE1 4.11Å; R101-F119 HydrophobicContact CB-CE2 4.36Å; R101-F119 HydrophobicContact CB-CG 4.1Å; R101-F119 HydrophobicContact CB-CZ 4.3Å; R101-F119 HydrophobicContact CG-CD2 4.02Å; R101-F119 HydrophobicContact CG-CE2 4.03Å; R101-F119 HydrophobicContact CG-CG 4.34Å; R101-F119 HydrophobicContact CG-CZ 4.37Å
102H97Very high96.5Very high93 Ų9372.1 Ų72.143%0.43132%0.319SS..Hα-helixtrans-60-42.3179-172.167000112.5E98 V99 C100 Y104 E105 Q106E98-H102 WeakPolarHBondContact O-CB 3.47Å; E98-H102 PolarHBondContact O-N 3.2Å; V99-H102 PolarHBondContact O-N 3.27Å; C100-H102 PolarHBondContact O-N 3.37Å; H102-Y104 VanDerWaalsContact C-N 3.31Å; H102-Y104 PolarHBondContact O-N 2.82Å; H102-E105 PolarHBondContact O-N 2.95Å; H102-Q106 PolarHBondContact CD2-NE2 2.72Å; H102-Q106 PolarHBondContact NE2-NE2 3.23Å; H102-Q106 WeakPolarHBondContact O-CG 3.48Å; H102-Q106 PolarHBondContact O-N 3.02Å
103R96.4Very high96.4Very high67 Ų6774.9 Ų74.925%0.25334%0.342SS..Hα-helixtrans-62.4-37.5175.1-78174.2169.7-176.5-1.9112.6N24 K72 V99 C100 R101 Q106 L107N24-R103 PolarHBondContact OD1-NH2 2.73Å; K72-R103 WeakPolarHBondContact O-CD 3.34Å; K72-R103 PolarHBondContact O-NH1 2.7Å; V99-R103 WeakPolarHBondContact O-CB 3.38Å; V99-R103 WeakPolarHBondContact O-CG 3.46Å; V99-R103 PolarHBondContact O-N 3.49Å; C100-R103 PolarHBondContact O-N 3.47Å; R101-R103 VanDerWaalsContact C-N 3.33Å; R101-R103 PolarHBondContact O-N 3.3Å; R103-Q106 PolarHBondContact O-N 3.11Å; R103-L107 WeakPolarHBondContact O-CB 3.42Å; R103-L107 PolarHBondContact O-N 3Å
104Y98.3Very high96.5Very high34 Ų3476.3 Ų76.313%0.13335%0.35CS..Hα-helixtrans-67-44.7176.3171.9-99.5000111.5Q76 C100 R101 H102 Q106 L107 C108 V114 F115 T116 A117 F119Q76-Y104 VanDerWaalsContact OE1-CA 3.3Å; Q76-Y104 VanDerWaalsContact OE1-N 3.13Å; C100-Y104 PolarHBondContact O-N 2.94Å; R101-Y104 WeakPolarHBondContact O-CB 3.23Å; R101-Y104 PolarHBondContact O-N 2.93Å; R101-Y104 VanDerWaalsContact O-N 3.09Å; H102-Y104 VanDerWaalsContact C-N 3.31Å; H102-Y104 PolarHBondContact O-N 2.82Å; Y104-Q106 VanDerWaalsContact C-N 3.32Å; Y104-Q106 PolarHBondContact O-N 3.14Å; Y104-L107 WeakPolarHBondContact O-CA 3.45Å; Y104-L107 VanDerWaalsContact O-CB 3.28Å; Y104-L107 WeakPolarHBondContact O-CB 3.3Å; Y104-L107 PolarHBondContact O-N 2.94Å; Y104-C108 PolarHBondContact O-N 3.39Å; Y104-C108 PolarHBondContact O-SG 3.09Å; Y104-C108 VanDerWaalsContact O-SG 3.39Å; Y104-V114 HydrophobicContact CD2-CG1 4.31Å; Y104-V114 HydrophobicContact CE2-CG1 3.71Å; Y104-F115 HydrophobicContact CD2-CD2 4.42Å; Y104-F115 AromaticContact CD2-CE2 3.68Å; Y104-F115 HydrophobicContact CD2-CE2 3.68Å; Y104-F115 HydrophobicContact CD2-CZ 4.13Å; Y104-F115 AromaticContact CE2-CD2 3.81Å; Y104-F115 HydrophobicContact CE2-CD2 3.81Å; Y104-F115 AromaticContact CE2-CE2 3.53Å; Y104-F115 HydrophobicContact CE2-CE2 3.53Å; Y104-F115 HydrophobicContact CE2-CZ 4.24Å; Y104-F115 VanDerWaalsContact CE2-O 3.26Å; Y104-F115 WeakPolarHBondContact CE2-O 3.41Å; Y104-F115 PolarHBondContact OH-O 3.29Å; Y104-T116 WeakPolarHBondContact OH-CA 3.32Å; Y104-A117 HydrophobicContact CD1-CB 4.26Å; Y104-A117 HydrophobicContact CD2-CB 3.89Å; Y104-A117 HydrophobicContact CE1-CB 3.93Å; Y104-A117 HydrophobicContact CE2-CB 3.54Å; Y104-A117 HydrophobicContact CG-CB 4.24Å; Y104-A117 PolarHBondContact OH-N 2.84Å; Y104-F119 AromaticContact CD1-CE2 3.95Å; Y104-F119 HydrophobicContact CD1-CE2 3.95Å; Y104-F119 AromaticContact CD1-CZ 3.69Å; Y104-F119 HydrophobicContact CD1-CZ 3.69Å; Y104-F119 HydrophobicContact CD2-CZ 4.45Å; Y104-F119 HydrophobicContact CE1-CE2 4.48Å; Y104-F119 HydrophobicContact CG-CE2 4.38Å; Y104-F119 AromaticContact CG-CZ 3.67Å; Y104-F119 HydrophobicContact CG-CZ 3.67Å
105E97.9Very high96.6Very high78 Ų7870.6 Ų70.636%0.36433%0.325SS..Hα-helixtrans-59.3-42.9175.7-69.6172.1-178.800112R101 H102 L107 C108 R109R101-E105 WeakPolarHBondContact O-CG 3.44Å; R101-E105 PolarHBondContact O-N 2.87Å; H102-E105 PolarHBondContact O-N 2.95Å; E105-L107 VanDerWaalsContact C-N 3.3Å; E105-L107 PolarHBondContact O-N 2.84Å; E105-C108 PolarHBondContact O-N 3.48Å; E105-R109 WeakPolarHBondContact O-CG 3.46Å; E105-R109 PolarHBondContact O-N 2.82Å
106Q96.5Very high96.6Very high84 Ų8472.3 Ų72.339%0.39334%0.339SS..Hα-helixtrans-60.9-40.3172.7-70.8-178.1-6.200111.7H102 R103 Y104 R109 N110H102-Q106 PolarHBondContact CD2-NE2 2.72Å; H102-Q106 PolarHBondContact NE2-NE2 3.23Å; H102-Q106 WeakPolarHBondContact O-CG 3.48Å; H102-Q106 PolarHBondContact O-N 3.02Å; R103-Q106 PolarHBondContact O-N 3.11Å; Y104-Q106 VanDerWaalsContact C-N 3.32Å; Y104-Q106 PolarHBondContact O-N 3.14Å; Q106-R109 PolarHBondContact O-N 3.24Å; Q106-N110 WeakPolarHBondContact O-CB 3.35Å; Q106-N110 VanDerWaalsContact O-CG 3.28Å; Q106-N110 PolarHBondContact O-N 2.86Å; Q106-N110 VanDerWaalsContact O-N 3.16Å; Q106-N110 PolarHBondContact O-ND2 3.18Å; Q106-N110 VanDerWaalsContact O-ND2 3.08Å
107L96.3Very high96.8Very high15 Ų1573.1 Ų73.18%0.07935%0.346CS..Hα-helixtrans-62.3-44.3177.3-169.362.9000111.5Q76 L77 L80 R103 Y104 E105 R109 N110 K111 V114Q76-L107 HydrophobicContact CB-CD2 4.43Å; L77-L107 HydrophobicContact CD2-CD1 3.56Å; L77-L107 HydrophobicContact CD2-CD2 4.45Å; L80-L107 HydrophobicContact CB-CD2 4.34Å; L80-L107 HydrophobicContact CD2-CD1 3.78Å; L80-L107 HydrophobicContact CD2-CD2 4.06Å; L80-L107 HydrophobicContact CD2-CG 4.14Å; R103-L107 WeakPolarHBondContact O-CB 3.42Å; R103-L107 PolarHBondContact O-N 3Å; Y104-L107 WeakPolarHBondContact O-CA 3.45Å; Y104-L107 VanDerWaalsContact O-CB 3.28Å; Y104-L107 WeakPolarHBondContact O-CB 3.3Å; Y104-L107 PolarHBondContact O-N 2.94Å; E105-L107 VanDerWaalsContact C-N 3.3Å; E105-L107 PolarHBondContact O-N 2.84Å; L107-R109 PolarHBondContact O-N 3.28Å; L107-N110 PolarHBondContact O-N 2.9Å; L107-K111 HydrophobicContact CD1-CG 3.94Å; L107-K111 HydrophobicContact CG-CG 4.47Å; L107-K111 WeakPolarHBondContact O-CB 3.2Å; L107-K111 PolarHBondContact O-N 3.44Å; L107-V114 HydrophobicContact CD2-CG1 3.98Å; L107-V114 HydrophobicContact CG-CG1 4.26Å; L107-V114 HydrophobicContact CG-CG2 4.28Å
108C97.4Very high96.8Very high49 Ų4976.1 Ų76.133%0.33136%0.362SS..Hα-helixtrans-63-36.7176.9-690000113Y104 E105 N110 K111Y104-C108 PolarHBondContact O-N 3.39Å; Y104-C108 PolarHBondContact O-SG 3.09Å; Y104-C108 VanDerWaalsContact O-SG 3.39Å; E105-C108 PolarHBondContact O-N 3.48Å; C108-N110 VanDerWaalsContact C-N 3.32Å; C108-K111 VanDerWaalsContact O-O 3.14Å
109R96.6Very high96.8Very high184 Ų18473.6 Ų73.669%0.69435%0.35SS*.Hα-helixtrans-67-34174-68.7175.1-167.1160.88.1112.5E105 Q106 L107E105-R109 WeakPolarHBondContact O-CG 3.46Å; E105-R109 PolarHBondContact O-N 2.82Å; Q106-R109 PolarHBondContact O-N 3.24Å; L107-R109 PolarHBondContact O-N 3.28Å
110N94.8Very high96.9Very high124 Ų12474.5 Ų74.566%0.66335%0.351SS*.Hα-helixtrans-93.3-11.4-172-70.2-29.7000114.5Q106 L107 C108Q106-N110 WeakPolarHBondContact O-CB 3.35Å; Q106-N110 VanDerWaalsContact O-CG 3.28Å; Q106-N110 PolarHBondContact O-N 2.86Å; Q106-N110 VanDerWaalsContact O-N 3.16Å; Q106-N110 PolarHBondContact O-ND2 3.18Å; Q106-N110 VanDerWaalsContact O-ND2 3.08Å; L107-N110 PolarHBondContact O-N 2.9Å; C108-N110 VanDerWaalsContact C-N 3.32Å
111K94.5Very high96.9Very high113 Ų11377.9 Ų77.949%0.49137%0.372SS..  trans-132136-174-60.9-64.8177-166.40110.3L80 L107 C108 S113 V114L80-K111 HydrophobicContact CD2-CD 4.45Å; L80-K111 HydrophobicContact CD2-CG 3.98Å; L107-K111 HydrophobicContact CD1-CG 3.94Å; L107-K111 HydrophobicContact CG-CG 4.47Å; L107-K111 WeakPolarHBondContact O-CB 3.2Å; L107-K111 PolarHBondContact O-N 3.44Å; C108-K111 VanDerWaalsContact O-O 3.14Å; K111-S113 VanDerWaalsContact C-N 3.31Å; K111-S113 PolarHBondContact O-N 2.83Å; K111-V114 HydrophobicContact CB-CG2 3.68Å
112R90.5Very high96.8Very high271 Ų27174.9 Ų74.9100%1.02336%0.363SS*.SBendtrans-65.1-32.3-177.7-68.6-174.8179.6-178.8-0.5114
113S94.4Very high96.8Very high100 Ų10071.2 Ų71.270%0.69935%0.346SS*.  trans-137.1122.9-179-173.80000108.3L80 K111L80-S113 WeakPolarHBondContact CD1-O 3.4Å; K111-S113 VanDerWaalsContact C-N 3.31Å; K111-S113 PolarHBondContact O-N 2.83Å
114V97.6Very high96.8Very high30 Ų3068.2 Ų68.218%0.18234%0.335CS..  trans-133.8149.4176.9-173.30000106.9L80 Y104 L107 K111L80-V114 HydrophobicContact CD1-CB 4.4Å; L80-V114 HydrophobicContact CD1-CG1 4.32Å; L80-V114 HydrophobicContact CD1-CG2 4.23Å; Y104-V114 HydrophobicContact CD2-CG1 4.31Å; Y104-V114 HydrophobicContact CE2-CG1 3.71Å; L107-V114 HydrophobicContact CD2-CG1 3.98Å; L107-V114 HydrophobicContact CG-CG1 4.26Å; L107-V114 HydrophobicContact CG-CG2 4.28Å; K111-V114 HydrophobicContact CB-CG2 3.68Å
115F98.5Very high96.6Very high7 Ų767.1 Ų67.13%0.03133%0.333CS..  trans-56152.4170.452.3-96000110.6Q76 W79 L80 V84 Q85 V87 F89 Y104 A117Q76-F115 HydrophobicContact CB-CZ 4.31Å; Q76-F115 HydrophobicContact CG-CZ 4.44Å; Q76-F115 WeakPolarHBondContact O-CE1 3.3Å; W79-F115 HydrophobicContact CB-CD1 4.09Å; W79-F115 HydrophobicContact CB-CE1 3.66Å; W79-F115 HydrophobicContact CB-CZ 4.13Å; L80-F115 HydrophobicContact CB-CD1 4.42Å; L80-F115 HydrophobicContact CB-CE1 4.02Å; V84-F115 HydrophobicContact CG2-CB 3.93Å; V84-F115 HydrophobicContact CG2-CD1 4.02Å; V84-F115 HydrophobicContact CG2-CG 4.07Å; V84-F115 WeakPolarHBondContact O-CB 3.47Å; Q85-F115 VanDerWaalsContact O-CA 3.31Å; Q85-F115 WeakPolarHBondContact O-CA 3.3Å; Q85-F115 WeakPolarHBondContact O-CB 3.28Å; V87-F115 HydrophobicContact CB-CD2 3.9Å; V87-F115 HydrophobicContact CB-CE2 3.94Å; V87-F115 HydrophobicContact CG2-CB 4.42Å; V87-F115 HydrophobicContact CG2-CD1 4.28Å; V87-F115 HydrophobicContact CG2-CD2 3.51Å; V87-F115 HydrophobicContact CG2-CE1 4.48Å; V87-F115 HydrophobicContact CG2-CE2 3.74Å; V87-F115 HydrophobicContact CG2-CG 3.81Å; V87-F115 HydrophobicContact CG2-CZ 4.23Å; F89-F115 AromaticContact CE2-CE2 3.88Å; F89-F115 HydrophobicContact CE2-CE2 3.88Å; F89-F115 AromaticContact CZ-CE2 3.99Å; F89-F115 HydrophobicContact CZ-CE2 3.99Å; F89-F115 HydrophobicContact CZ-CZ 4.21Å; Y104-F115 HydrophobicContact CD2-CD2 4.42Å; Y104-F115 AromaticContact CD2-CE2 3.68Å; Y104-F115 HydrophobicContact CD2-CE2 3.68Å; Y104-F115 HydrophobicContact CD2-CZ 4.13Å; Y104-F115 AromaticContact CE2-CD2 3.81Å; Y104-F115 HydrophobicContact CE2-CD2 3.81Å; Y104-F115 AromaticContact CE2-CE2 3.53Å; Y104-F115 HydrophobicContact CE2-CE2 3.53Å; Y104-F115 HydrophobicContact CE2-CZ 4.24Å; Y104-F115 VanDerWaalsContact CE2-O 3.26Å; Y104-F115 WeakPolarHBondContact CE2-O 3.41Å; Y104-F115 PolarHBondContact OH-O 3.29Å; F115-A117 HydrophobicContact CD2-CB 4.21Å; F115-A117 HydrophobicContact CE2-CB 4.12Å
116T98.3Very high96.5Very high83 Ų8368.3 Ų68.351%0.50934%0.338SS..EExtended strand (participates in β ladder)trans-74.3152.9167.952.60000109.8Q85 H86 V87 Y104Q85-T116 PolarHBondContact O-N 2.97Å; Q85-T116 PolarHBondContact O-OG1 3.16Å; H86-T116 CarbonylContact C-O 3.55Å; H86-T116 VanDerWaalsContact CA-O 3.24Å; H86-T116 WeakPolarHBondContact CA-O 3.4Å; H86-T116 PolarHBondContact ND1-O 3.4Å; H86-T116 PolarHBondContact ND1-OG1 2.74Å; V87-T116 PolarHBondContact N-O 2.82Å; Y104-T116 WeakPolarHBondContact OH-CA 3.32Å
117A98.5Very high96.5Very high17 Ų1765.5 Ų65.514%0.1433%0.33CS..EExtended strand (participates in β ladder)trans-145.4143.9-175.900000113.7V87 F89 Y104 F115 F119V87-A117 WeakPolarHBondContact O-CA 3.35Å; V87-A117 WeakPolarHBondContact O-CB 3.24Å; F89-A117 HydrophobicContact CD2-CB 4.18Å; F89-A117 HydrophobicContact CE2-CB 3.91Å; Y104-A117 HydrophobicContact CD1-CB 4.26Å; Y104-A117 HydrophobicContact CD2-CB 3.89Å; Y104-A117 HydrophobicContact CE1-CB 3.93Å; Y104-A117 HydrophobicContact CE2-CB 3.54Å; Y104-A117 HydrophobicContact CG-CB 4.24Å; Y104-A117 PolarHBondContact OH-N 2.84Å; F115-A117 HydrophobicContact CD2-CB 4.21Å; F115-A117 HydrophobicContact CE2-CB 4.12Å; A117-F119 HydrophobicContact CB-CE2 3.9Å; A117-F119 HydrophobicContact CB-CZ 3.8Å
118D98Very high96.5Very high63 Ų6369 Ų6934%0.33735%0.348SS..EExtended strand (participates in β ladder)trans-118.7155.8169.4-66.5-43.2000110.8H86 V87 T88 F89 F120H86-D118 IonicContact CE1-OD2 3.4Å; H86-D118 PolarHBondContact CE1-OD2 2.9Å; H86-D118 IonicContact NE2-OD2 2.59Å; H86-D118 PolarHBondContact NE2-OD2 3.31Å; V87-D118 PolarHBondContact O-N 3.35Å; T88-D118 HydrophobicContact CG2-CB 4.47Å; F89-D118 PolarHBondContact N-O 2.8Å; D118-F120 HydrophobicContact CB-CD2 4.3Å; D118-F120 HydrophobicContact CB-CE2 3.52Å; D118-F120 HydrophobicContact CB-CZ 4.22Å
119F98.6Very high96.5Very high30 Ų3066.7 Ų66.713%0.13233%0.332CS..EExtended strand (participates in β ladder)trans-136.8117.3-171.5-58.6-87.9000111.1F89 I97 C100 R101 Y104 A117F89-F119 HydrophobicContact CB-CD1 3.89Å; F89-F119 HydrophobicContact CB-CE1 4.25Å; F89-F119 AromaticContact CD2-CD1 3.97Å; F89-F119 HydrophobicContact CD2-CD1 3.97Å; F89-F119 AromaticContact CD2-CE1 3.51Å; F89-F119 HydrophobicContact CD2-CE1 3.51Å; F89-F119 HydrophobicContact CD2-CZ 4.05Å; F89-F119 HydrophobicContact CE2-CE1 4.16Å; F89-F119 HydrophobicContact CE2-CZ 4.43Å; F89-F119 HydrophobicContact CG-CD1 4.24Å; F89-F119 HydrophobicContact CG-CE1 4.09Å; F89-F119 WeakPolarHBondContact O-CA 3.5Å; I97-F119 HydrophobicContact CG2-CB 3.93Å; C100-F119 HydrophobicContact CB-CD1 4.49Å; C100-F119 HydrophobicContact CB-CE1 4.47Å; R101-F119 HydrophobicContact CB-CD1 4Å; R101-F119 HydrophobicContact CB-CD2 4.26Å; R101-F119 HydrophobicContact CB-CE1 4.11Å; R101-F119 HydrophobicContact CB-CE2 4.36Å; R101-F119 HydrophobicContact CB-CG 4.1Å; R101-F119 HydrophobicContact CB-CZ 4.3Å; R101-F119 HydrophobicContact CG-CD2 4.02Å; R101-F119 HydrophobicContact CG-CE2 4.03Å; R101-F119 HydrophobicContact CG-CG 4.34Å; R101-F119 HydrophobicContact CG-CZ 4.37Å; Y104-F119 AromaticContact CD1-CE2 3.95Å; Y104-F119 HydrophobicContact CD1-CE2 3.95Å; Y104-F119 AromaticContact CD1-CZ 3.69Å; Y104-F119 HydrophobicContact CD1-CZ 3.69Å; Y104-F119 HydrophobicContact CD2-CZ 4.45Å; Y104-F119 HydrophobicContact CE1-CE2 4.48Å; Y104-F119 HydrophobicContact CG-CE2 4.38Å; Y104-F119 AromaticContact CG-CZ 3.67Å; Y104-F119 HydrophobicContact CG-CZ 3.67Å; A117-F119 HydrophobicContact CB-CE2 3.9Å; A117-F119 HydrophobicContact CB-CZ 3.8Å
120F98.5Very high96.4Very high48 Ų4860.3 Ų60.321%0.21131%0.314CS..EExtended strand (participates in β ladder)trans-127.8141.5-176.8-62.5-87000112.2T88 F89 V90 D91 I97 D118 V132 L133 P134T88-F120 HydrophobicContact CG2-CD2 3.71Å; T88-F120 HydrophobicContact CG2-CE2 3.87Å; F89-F120 PolarHBondContact O-N 2.91Å; V90-F120 WeakPolarHBondContact CA-O 3.03Å; V90-F120 HydrophobicContact CG2-CB 4.35Å; D91-F120 PolarHBondContact N-O 3.34Å; I97-F120 WeakPolarHBondContact CD1-O 3.44Å; I97-F120 WeakPolarHBondContact CG1-O 3.21Å; D118-F120 HydrophobicContact CB-CD2 4.3Å; D118-F120 HydrophobicContact CB-CE2 3.52Å; D118-F120 HydrophobicContact CB-CZ 4.22Å; F120-V132 HydrophobicContact CD1-CG1 4.45Å; F120-L133 HydrophobicContact CB-CD2 4.02Å; F120-L133 HydrophobicContact CD1-CD2 4.12Å; F120-L133 HydrophobicContact CD2-CD2 3.39Å; F120-L133 HydrophobicContact CE1-CD2 4.5Å; F120-L133 HydrophobicContact CE2-CD2 3.81Å; F120-L133 HydrophobicContact CG-CD2 3.57Å; F120-L133 HydrophobicContact CZ-CD2 4.37Å; F120-P134 HydrophobicContact CZ-CG 3.93Å
121V97.9Very high96.5Very high72 Ų7261.8 Ų61.844%0.43632%0.317SS..EExtended strand (participates in β ladder)trans-99.6114.7170.8-175.50000108.1D91 K94 I97D91-V121 CarbonylContact O-C 3.48Å; D91-V121 VanDerWaalsContact O-CA 3.29Å; D91-V121 WeakPolarHBondContact O-CA 3.48Å; K94-V121 HydrophobicContact CB-CG1 4.19Å; K94-V121 HydrophobicContact CB-CG2 4.04Å; K94-V121 HydrophobicContact CG-CG2 4.13Å; I97-V121 HydrophobicContact CB-CG2 4.04Å; I97-V121 HydrophobicContact CG1-CG2 4.06Å; I97-V121 HydrophobicContact CG2-CG2 4.11Å
122A97.2Very high96.6Very high10 Ų1059.3 Ų59.38%0.08331%0.311CS..  trans-156.3146.6178.900000111.7V90 D91 L92 C124 A127 L129 V132V90-A122 HydrophobicContact CG1-CB 3.9Å; D91-A122 CarbonylContact C-O 3.56Å; D91-A122 PolarHBondContact O-N 3.47Å; L92-A122 WeakPolarHBondContact CA-O 3.2Å; L92-A122 PolarHBondContact N-O 2.97Å; A122-C124 PolarHBondContact O-N 3.1Å; A122-A127 HydrophobicContact CB-CB 4.41Å; A122-L129 HydrophobicContact CB-CD2 3.72Å; A122-V132 HydrophobicContact CB-CG1 4.29Å
123D95.7Very high96.9Very high16 Ų1646.8 Ų46.89%0.08627%0.265CS..  trans-80.7102.9165.3-167-38.7000109.8R7 L92 S125 E126 A127R7-D123 VanDerWaalsContact CD-OD2 3.27Å; R7-D123 WeakPolarHBondContact CD-OD2 3.31Å; R7-D123 IonicContact CZ-OD2 3.27Å; R7-D123 IonicContact NE-OD2 2.83Å; R7-D123 PolarHBondContact NE-OD2 3.05Å; R7-D123 IonicContact NH1-OD2 2.78Å; R7-D123 IonicContact NH2-OD2 3.16Å; R7-D123 PolarHBondContact NH2-OD2 2.64Å; L92-D123 HydrophobicContact CD1-CB 3.47Å; L92-D123 VanDerWaalsContact CD1-CB 3.47Å; L92-D123 WeakPolarHBondContact CD1-OD2 3.29Å; D123-S125 PolarHBondContact O-N 2.75Å; D123-S125 WeakPolarHBondContact OD1-CA 3.36Å; D123-S125 WeakPolarHBondContact OD1-CB 3.44Å; D123-S125 PolarHBondContact OD1-N 2.95Å; D123-S125 PolarHBondContact OD1-OG 2.83Å; D123-E126 HydrophobicContact CB-CB 4.15Å; D123-E126 PolarHBondContact O-N 3.31Å; D123-E126 VanDerWaalsContact O-N 3.1Å; D123-E126 PolarHBondContact OD1-N 3.43Å; D123-A127 VanDerWaalsContact O-CB 3.27Å; D123-A127 WeakPolarHBondContact O-CB 3.11Å; D123-A127 PolarHBondContact O-N 2.65Å
124C96.2Very high96.8Very high4 Ų444.9 Ų44.93%0.02725%0.25CC..THydrogen-bonded Turntrans-61.6-15.1-179.3-56.70000113.9A122 L129 I161 N164A122-C124 PolarHBondContact O-N 3.1Å; C124-L129 HydrophobicContact CB-CD1 4.43Å; C124-I161 HydrophobicContact CB-CD1 3.97Å; C124-I161 HydrophobicContact CB-CG1 4.21Å; C124-I161 WeakPolarHBondContact O-CA 2.92Å; C124-I161 WeakPolarHBondContact O-CB 3.42Å; C124-N164 PolarHBondContact O-ND2 3.37Å
125S95.1Very high96.4Very high12 Ų1249 Ų498%0.08428%0.28CS..THydrogen-bonded Turntrans-99-8.3179770000114.3D123 Q157 T160D123-S125 PolarHBondContact O-N 2.75Å; D123-S125 WeakPolarHBondContact OD1-CA 3.36Å; D123-S125 WeakPolarHBondContact OD1-CB 3.44Å; D123-S125 PolarHBondContact OD1-N 2.95Å; D123-S125 PolarHBondContact OD1-OG 2.83Å; S125-Q157 WeakPolarHBondContact O-CA 3.41Å; S125-T160 WeakPolarHBondContact O-CB 3.14Å; S125-T160 VanDerWaalsContact O-CG2 3.31Å; S125-T160 WeakPolarHBondContact O-CG2 3.23Å
126E95.2Very high96Very high102 Ų10252.5 Ų52.548%0.47732%0.319SS..THydrogen-bonded Turntrans-123.9-42176.8-68.8-173.7-169.100113.2R7 D123R7-E126 IonicContact CZ-OE1 2.76Å; R7-E126 IonicContact CZ-OE2 2.73Å; R7-E126 IonicContact NH1-OE1 3.57Å; R7-E126 PolarHBondContact NH1-OE1 2.91Å; R7-E126 IonicContact NH1-OE2 2.94Å; R7-E126 PolarHBondContact NH1-OE2 3.07Å; R7-E126 IonicContact NH2-OE2 3.34Å; D123-E126 HydrophobicContact CB-CB 4.15Å; D123-E126 PolarHBondContact O-N 3.31Å; D123-E126 VanDerWaalsContact O-N 3.1Å; D123-E126 PolarHBondContact OD1-N 3.43Å
127A95.9Very high95.6Very high26 Ų2650.7 Ų50.722%0.21531%0.307CS..SBendtrans-71.3147.7-178.500000111.2A122 D123 L129 V132 N164A122-A127 HydrophobicContact CB-CB 4.41Å; D123-A127 VanDerWaalsContact O-CB 3.27Å; D123-A127 WeakPolarHBondContact O-CB 3.11Å; D123-A127 PolarHBondContact O-N 2.65Å; A127-L129 HydrophobicContact CB-CD2 4.35Å; A127-L129 PolarHBondContact O-N 3.12Å; A127-V132 HydrophobicContact CB-CG2 4.29Å; A127-N164 PolarHBondContact O-ND2 3.26Å; A127-N164 PolarHBondContact O-OD1 2.87Å
128I97Very high95.6Very high89 Ų8953 Ų5346%0.45632%0.317SS..  trans-86.793.9168.6-57.7172.9000106.8P130 Q131I128-P130 VanDerWaalsContact C-CD 3.45Å; I128-P130 VanDerWaalsContact C-N 3.33Å; I128-Q131 HydrophobicContact CB-CG 4.26Å; I128-Q131 HydrophobicContact CG2-CG 3.93Å; I128-Q131 WeakPolarHBondContact O-CB 3.5Å; I128-Q131 PolarHBondContact O-N 3.28Å
129L97.1Very high95.6Very high0 Ų050 Ų500%030%0.301CS..Hα-helixtrans-56.9-35.2-171.3-67.1-171.9000114.4L68 V90 A122 C124 A127 Q131 V132 L133 N164 L168L68-L129 HydrophobicContact CD2-CD1 3.67Å; V90-L129 HydrophobicContact CG1-CD2 4.41Å; A122-L129 HydrophobicContact CB-CD2 3.72Å; C124-L129 HydrophobicContact CB-CD1 4.43Å; A127-L129 HydrophobicContact CB-CD2 4.35Å; A127-L129 PolarHBondContact O-N 3.12Å; L129-Q131 PolarHBondContact O-N 2.89Å; L129-V132 PolarHBondContact O-N 3.41Å; L129-L133 HydrophobicContact CB-CD1 4.3Å; L129-L133 HydrophobicContact CB-CG 4.44Å; L129-L133 WeakPolarHBondContact O-CG 3.27Å; L129-L133 PolarHBondContact O-N 3.12Å; L129-N164 HydrophobicContact CB-CB 4.2Å; L129-N164 HydrophobicContact CD1-CB 3.99Å; L129-N164 HydrophobicContact CG-CB 4.02Å; L129-N164 PolarHBondContact N-OD1 3.1Å; L129-L168 HydrophobicContact CB-CD1 3.7Å; L129-L168 HydrophobicContact CD1-CD1 4.18Å
130P95.8Very high95.6Very high49 Ų4949.4 Ų49.432%0.31830%0.299SS..Hα-helixtrans-57.5-19.4172.4-28.335.6000115.6I128 S167 L168I128-P130 VanDerWaalsContact C-CD 3.45Å; I128-P130 VanDerWaalsContact C-N 3.33Å; P130-S167 VanDerWaalsContact CG-OG 3.31Å; P130-S167 WeakPolarHBondContact CG-OG 3.48Å; P130-L168 HydrophobicContact CB-CD2 4.46Å; P130-L168 HydrophobicContact CG-CD2 4.03Å; P130-L168 HydrophobicContact CG-CG 4.21Å
131Q95.9Very high95.6Very high155 Ų15547.1 Ų47.172%0.72429%0.289SS*.Hα-helixtrans-91.9-15.6174.9-60.7175.97.200112.9I128 L129I128-Q131 HydrophobicContact CB-CG 4.26Å; I128-Q131 HydrophobicContact CG2-CG 3.93Å; I128-Q131 WeakPolarHBondContact O-CB 3.5Å; I128-Q131 PolarHBondContact O-N 3.28Å; L129-Q131 PolarHBondContact O-N 2.89Å
132V96.1Very high95.6Very high61 Ų6143.7 Ų43.737%0.3727%0.268SS..Hα-helixtrans-96.3-40.1-179.9-179.40000111F120 A122 A127 L129F120-V132 HydrophobicContact CD1-CG1 4.45Å; A122-V132 HydrophobicContact CB-CG1 4.29Å; A127-V132 HydrophobicContact CB-CG2 4.29Å; L129-V132 PolarHBondContact O-N 3.41Å
133L96.5Very high95.7Very high9 Ų943.2 Ų43.25%0.04726%0.264CS..SBendtrans-85.1160.5-177.3-56.6-175.6000111.3L66 T88 V90 F120 L129 S135 Y139 L168L66-L133 HydrophobicContact CD1-CD1 4.15Å; T88-L133 HydrophobicContact CG2-CD2 4.15Å; V90-L133 HydrophobicContact CG2-CD2 4.03Å; F120-L133 HydrophobicContact CB-CD2 4.02Å; F120-L133 HydrophobicContact CD1-CD2 4.12Å; F120-L133 HydrophobicContact CD2-CD2 3.39Å; F120-L133 HydrophobicContact CE1-CD2 4.5Å; F120-L133 HydrophobicContact CE2-CD2 3.81Å; F120-L133 HydrophobicContact CG-CD2 3.57Å; F120-L133 HydrophobicContact CZ-CD2 4.37Å; L129-L133 HydrophobicContact CB-CD1 4.3Å; L129-L133 HydrophobicContact CB-CG 4.44Å; L129-L133 WeakPolarHBondContact O-CG 3.27Å; L129-L133 PolarHBondContact O-N 3.12Å; L133-S135 PolarHBondContact O-N 3Å; L133-Y139 HydrophobicContact CD1-CE2 4.41Å; L133-L168 HydrophobicContact CD1-CD1 3.62Å; L133-L168 HydrophobicContact CD1-CD2 4.28Å
134P92.3Very high95.9Very high59 Ų5942.4 Ų42.438%0.38326%0.26SS..PPolyproline II helixtrans-56.4132.1178-24.234.9000111.8F120 V137F120-P134 HydrophobicContact CZ-CG 3.93Å; P134-V137 HydrophobicContact CB-CG2 4.03Å
135S91Very high96Very high116 Ų11642.9 Ų42.981%0.81126%0.262SS*.THydrogen-bonded Turntrans-64.6145.3-178.2-54.30000112.1L133 V137L133-S135 PolarHBondContact O-N 3Å; S135-V137 VanDerWaalsContact C-N 3.27Å; S135-V137 PolarHBondContact O-N 3.09Å
136G89Confident96.1Very high82 Ų8244.3 Ų44.385%0.84527%0.267SS*.THydrogen-bonded Turntrans80.5-2177.300000115.3
137V90.9Very high96.2Very high45 Ų4539.9 Ų39.927%0.27325%0.247SC..  trans-82.3129.1174.4-177.20000110P134 S135 Y139P134-V137 HydrophobicContact CB-CG2 4.03Å; S135-V137 VanDerWaalsContact C-N 3.27Å; S135-V137 PolarHBondContact O-N 3.09Å; V137-Y139 HydrophobicContact CG1-CE1 3.9Å; V137-Y139 HydrophobicContact CG1-CE2 4.1Å
138L97.1Very high96.3Very high64 Ų6438.7 Ų38.734%0.33524%0.237SC..  trans-128.8142.1170.4-63.9174.6000109.8L168 R170L138-L168 WeakPolarHBondContact CA-O 3.38Å; L138-R170 HydrophobicContact CB-CG 3.4Å; L138-R170 HydrophobicContact CD1-CG 4.16Å; L138-R170 HydrophobicContact CG-CG 4.42Å; L138-R170 PolarHBondContact O-NE 2.96Å; L138-R170 VanDerWaalsContact O-NE 3.12Å
139Y98.4Very high96.3Very high1 Ų134.5 Ų34.50%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-103.8146.1-173.5-55.5-84.1000111.9Q64 I65 L66 T88 L133 V137 L168 L169 R170Q64-Y139 HydrophobicContact CB-CD1 4.17Å; Q64-Y139 CarbonylContact O-C 3.59Å; Q64-Y139 WeakPolarHBondContact O-CA 3.47Å; Q64-Y139 WeakPolarHBondContact O-CB 3.4Å; I65-Y139 WeakPolarHBondContact O-CD1 3.49Å; I65-Y139 WeakPolarHBondContact O-CE1 3.42Å; L66-Y139 HydrophobicContact CB-CD1 3.79Å; L66-Y139 HydrophobicContact CB-CD2 3.78Å; L66-Y139 HydrophobicContact CB-CE1 4.02Å; L66-Y139 HydrophobicContact CB-CE2 4.04Å; L66-Y139 HydrophobicContact CB-CG 3.65Å; L66-Y139 HydrophobicContact CD1-CE1 4.46Å; L66-Y139 HydrophobicContact CD1-CE2 4.18Å; L66-Y139 HydrophobicContact CD2-CD2 4.11Å; L66-Y139 HydrophobicContact CD2-CE2 4.06Å; L66-Y139 HydrophobicContact CG-CD2 4.43Å; L66-Y139 HydrophobicContact CG-CE2 4.33Å; T88-Y139 VanDerWaalsContact CB-OH 3.31Å; T88-Y139 WeakPolarHBondContact CB-OH 3.44Å; T88-Y139 VanDerWaalsContact OG1-CE1 3.32Å; T88-Y139 WeakPolarHBondContact OG1-CE1 3.26Å; T88-Y139 PolarHBondContact OG1-OH 3.07Å; L133-Y139 HydrophobicContact CD1-CE2 4.41Å; V137-Y139 HydrophobicContact CG1-CE1 3.9Å; V137-Y139 HydrophobicContact CG1-CE2 4.1Å; Y139-L168 HydrophobicContact CD2-CB 3.93Å; Y139-L168 WeakPolarHBondContact CD2-O 3.44Å; Y139-L168 HydrophobicContact CE2-CB 4.16Å; Y139-L168 HydrophobicContact CE2-CD2 4.36Å; Y139-L168 PolarHBondContact N-O 2.83Å; Y139-L169 WeakPolarHBondContact O-CD1 3.42Å; Y139-R170 PolarHBondContact O-N 3.1Å
140D98.5Very high96.3Very high17 Ų1736.3 Ų36.39%0.09122%0.223CC..EExtended strand (participates in β ladder)trans-82.7-29.3173.8-54.9-70.5000111.3L56 V58 A63 Q64 R170 G173 F174L56-D140 HydrophobicContact CD1-CB 4.08Å; L56-D140 HydrophobicContact CD2-CB 4.16Å; L56-D140 WeakPolarHBondContact CD2-O 3.22Å; V58-D140 HydrophobicContact CG2-CB 4.15Å; A63-D140 WeakPolarHBondContact CA-OD2 3.47Å; Q64-D140 PolarHBondContact N-OD2 3.49Å; Q64-D140 PolarHBondContact O-N 2.88Å; D140-R170 WeakPolarHBondContact OD1-CD 3.42Å; D140-G173 CarbonylContact O-C 3.56Å; D140-G173 WeakPolarHBondContact O-CA 3.14Å; D140-F174 PolarHBondContact O-N 3.35Å
141L98.8Very high96.4Very high0 Ų034.1 Ų34.10%021%0.209CC..EExtended strand (participates in β ladder)trans-137.5126.9178.4-176.269.8000110.6L53 L56 Q64 I65 L66 W79 F174 I176L53-L141 HydrophobicContact CD2-CD2 3.82Å; L53-L141 HydrophobicContact CG-CD2 4.35Å; L56-L141 HydrophobicContact CD2-CB 4.36Å; Q64-L141 PolarHBondContact O-N 3.1Å; I65-L141 WeakPolarHBondContact CA-O 3.4Å; I65-L141 HydrophobicContact CD1-CB 3.76Å; I65-L141 HydrophobicContact CD1-CD2 4.18Å; L66-L141 PolarHBondContact N-O 3.4Å; W79-L141 HydrophobicContact CH2-CD2 3.92Å; W79-L141 HydrophobicContact CZ3-CD2 3.8Å; L141-F174 CarbonylContact C-O 3.28Å; L141-F174 WeakPolarHBondContact CA-O 3.35Å; L141-F174 HydrophobicContact CD1-CB 3.71Å; L141-I176 HydrophobicContact CD1-CD1 4.12Å; L141-I176 HydrophobicContact CD1-CG1 3.96Å; L141-I176 HydrophobicContact CD1-CG2 4.02Å; L141-I176 HydrophobicContact CD2-CD1 4.14Å; L141-I176 HydrophobicContact CG-CD1 4.49Å; L141-I176 HydrophobicContact CG-CG1 4.49Å
142V98.8Very high96.4Very high0 Ų026.7 Ų26.70%017%0.174CC..EExtended strand (participates in β ladder)trans-105.2127.7164.4178.30000108.1L66 L68 I165 L169 F174 F175 I176L66-V142 HydrophobicContact CB-CG1 4.48Å; L66-V142 HydrophobicContact CB-CG2 4.04Å; L66-V142 HydrophobicContact CD2-CG1 4.22Å; L66-V142 HydrophobicContact CD2-CG2 4.05Å; L66-V142 HydrophobicContact CG-CG1 4.49Å; L66-V142 CarbonylContact O-C 3.54Å; L66-V142 WeakPolarHBondContact O-CA 3.46Å; L68-V142 HydrophobicContact CD1-CG1 3.53Å; L68-V142 HydrophobicContact CG-CG1 3.9Å; V142-I165 HydrophobicContact CB-CG2 4.32Å; V142-I165 HydrophobicContact CG1-CG1 4.11Å; V142-I165 HydrophobicContact CG1-CG2 4.18Å; V142-L169 HydrophobicContact CB-CD1 4.2Å; V142-L169 HydrophobicContact CG2-CB 4.34Å; V142-L169 HydrophobicContact CG2-CD1 3.59Å; V142-F174 PolarHBondContact N-O 3.1Å; V142-F175 HydrophobicContact CB-CD2 4.3Å; V142-F175 HydrophobicContact CG1-CD2 4.1Å; V142-F175 WeakPolarHBondContact O-CA 3.42Å; V142-I176 PolarHBondContact O-N 3.41Å
143S98.9Very high96.5Very high0 Ų026 Ų260%017%0.167CC..EExtended strand (participates in β ladder)trans-117.4129.4-180172.50000110.1L66 L68 Q145 I176L66-S143 PolarHBondContact O-N 3.04Å; L68-S143 PolarHBondContact N-O 3.3Å; S143-Q145 WeakPolarHBondContact OG-CG 3.34Å; S143-Q145 PolarHBondContact OG-NE2 2.9Å; S143-I176 WeakPolarHBondContact CA-O 3.1Å
144C98.7Very high96.5Very high0 Ų027.3 Ų27.30%018%0.177CC..EExtended strand (participates in β ladder)trans-132.292.1173.8-172.50000110.2L68 F175 I176 A177 T178L68-C144 HydrophobicContact CB-CB 4.28Å; C144-F175 HydrophobicContact CB-CE2 3.84Å; C144-F175 HydrophobicContact CB-CZ 4.43Å; C144-I176 PolarHBondContact N-O 3.38Å; C144-A177 HydrophobicContact CB-CB 4.35Å; C144-A177 WeakPolarHBondContact O-CA 3.34Å; C144-A177 VanDerWaalsContact O-CB 3.23Å; C144-A177 WeakPolarHBondContact O-CB 3.35Å; C144-T178 PolarHBondContact O-N 3.35Å
145Q98.3Very high96.7Very high14 Ų1428.2 Ų28.27%0.06518%0.178CC..EExtended strand (participates in β ladder)trans-95.6118.7-172.6-54.8-54.8-3900111K45 S143 A147 T178K45-Q145 HydrophobicContact CD-CB 3.87Å; K45-Q145 HydrophobicContact CD-CG 3.96Å; S143-Q145 WeakPolarHBondContact OG-CG 3.34Å; S143-Q145 PolarHBondContact OG-NE2 2.9Å; Q145-A147 VanDerWaalsContact C-N 3.3Å; Q145-A147 PolarHBondContact O-N 3.4Å; Q145-T178 PolarHBondContact OE1-OG1 3.39Å
146F97Very high97Very high42 Ų4227.3 Ų27.318%0.18417%0.168CC..SBendtrans58.136.5177.5-56.7-85000114.1K45 H149 T178 F287 Y362K45-F146 HydrophobicContact CD-CD2 4.22Å; K45-F146 HydrophobicContact CD-CE2 3.78Å; K45-F146 HydrophobicContact CG-CE2 4.07Å; F146-H149 PolarHBondContact O-CE1 2.89Å; F146-T178 WeakPolarHBondContact CA-O 3.43Å; F146-T178 HydrophobicContact CD1-CG2 3.83Å; F146-T178 HydrophobicContact CD2-CG2 4.34Å; F146-T178 HydrophobicContact CE1-CG2 3.47Å; F146-T178 VanDerWaalsContact CE1-CG2 3.47Å; F146-T178 HydrophobicContact CE2-CG2 4.02Å; F146-T178 HydrophobicContact CG-CG2 4.26Å; F146-T178 HydrophobicContact CZ-CG2 3.58Å; F146-T178 PolarHBondContact N-O 3.06Å; F146-F287 HydrophobicContact CE1-CZ 4.43Å; F146-F287 HydrophobicContact CZ-CE2 4.33Å; F146-F287 AromaticContact CZ-CZ 3.89Å; F146-F287 HydrophobicContact CZ-CZ 3.89Å; F146-Y362 AromaticContact CD1-CD1 3.84Å; F146-Y362 HydrophobicContact CD1-CD1 3.84Å; F146-Y362 AromaticContact CD1-CE1 3.63Å; F146-Y362 HydrophobicContact CD1-CE1 3.63Å; F146-Y362 AromaticContact CE1-CD1 3.56Å; F146-Y362 HydrophobicContact CE1-CD1 3.56Å; F146-Y362 HydrophobicContact CE1-CD2 4.14Å; F146-Y362 AromaticContact CE1-CE1 3.64Å; F146-Y362 HydrophobicContact CE1-CE1 3.64Å; F146-Y362 HydrophobicContact CE1-CE2 4.18Å; F146-Y362 AromaticContact CE1-CG 3.82Å; F146-Y362 HydrophobicContact CE1-CG 3.82Å; F146-Y362 AromaticContact CE1-CZ 3.95Å
147A97.5Very high97.4Very high9 Ų924.4 Ų24.47%0.07413%0.132CC..  trans-141.6-19.5-17900000115.8C69 Q145 H149 Y150C69-A147 HydrophobicContact CB-CB 3.27Å; Q145-A147 VanDerWaalsContact C-N 3.3Å; Q145-A147 PolarHBondContact O-N 3.4Å; A147-H149 PolarHBondContact O-N 2.79Å; A147-H149 VanDerWaalsContact O-N 3.1Å; A147-Y150 HydrophobicContact CB-CD2 4.19Å; A147-Y150 HydrophobicContact CB-CE2 4.44Å; A147-Y150 VanDerWaalsContact O-CD2 3.25Å; A147-Y150 WeakPolarHBondContact O-CD2 3.33Å; A147-Y150 PolarHBondContact O-N 3.31Å; A147-Y150 VanDerWaalsContact O-N 3.09Å
148L98Very high97.8Very high0 Ų022.3 Ų22.30%012%0.119CC..G310 helixtrans-58.5-31.7-175.5-175.564.3000113Y150 A151 F152 I161 F175 A177 I179 L269 L365L148-Y150 PolarHBondContact O-N 3.24Å; L148-A151 PolarHBondContact O-N 3.13Å; L148-A151 VanDerWaalsContact O-N 3.17Å; L148-F152 HydrophobicContact CG-CE2 4.26Å; L148-I161 HydrophobicContact CD1-CD1 4.15Å; L148-I161 HydrophobicContact CD1-CG2 4.06Å; L148-F175 HydrophobicContact CD1-CZ 4.35Å; L148-F175 HydrophobicContact CD2-CE1 4.36Å; L148-F175 HydrophobicContact CD2-CZ 4.02Å; L148-A177 HydrophobicContact CD2-CB 4.36Å; L148-I179 HydrophobicContact CB-CG2 3.93Å; L148-I179 HydrophobicContact CD2-CG2 4.07Å; L148-L269 HydrophobicContact CD2-CD1 4.17Å; L148-L269 HydrophobicContact CD2-CD2 4.02Å; L148-L365 HydrophobicContact CD2-CD1 4.33Å
149H97.8Very high97.9Very high2 Ų223 Ų231%0.00912%0.117CC..G310 helixtrans-65-23.3-179.550.6-94.5000113.8F146 A147 A151 F152 P180 E261 F262 V264F146-H149 PolarHBondContact O-CE1 2.89Å; A147-H149 PolarHBondContact O-N 2.79Å; A147-H149 VanDerWaalsContact O-N 3.1Å; H149-A151 PolarHBondContact O-N 3.08Å; H149-F152 PolarHBondContact O-N 2.82Å; H149-P180 HydrophobicContact CB-CG 4.41Å; H149-P180 WeakPolarHBondContact ND1-CD 3.22Å; H149-E261 IonicContact CD2-OE2 2.86Å; H149-E261 IonicContact NE2-OE1 3.56Å; H149-E261 IonicContact NE2-OE2 3.41Å; H149-F262 WeakPolarHBondContact CB-O 3.44Å; H149-F262 WeakPolarHBondContact O-CB 3.46Å; H149-F262 WeakPolarHBondContact O-CD2 3.47Å; H149-V264 VanDerWaalsContact CA-CG2 3.48Å; H149-V264 HydrophobicContact CB-CG2 3.58Å
150Y97.1Very high97.8Very high37 Ų3724.5 Ų24.515%0.14513%0.127CC..G310 helixtrans-65.5-27174.9-62.3-62.7000112.4V10 Y14 A147 L148 F152 C259 P260 E261V10-Y150 HydrophobicContact CG2-CD1 3.93Å; V10-Y150 HydrophobicContact CG2-CE1 4.03Å; Y14-Y150 HydrophobicContact CE2-CE2 4.42Å; Y14-Y150 PolarHBondContact OH-OH 2.95Å; Y14-Y150 VanDerWaalsContact OH-OH 3.11Å; A147-Y150 HydrophobicContact CB-CD2 4.19Å; A147-Y150 HydrophobicContact CB-CE2 4.44Å; A147-Y150 VanDerWaalsContact O-CD2 3.25Å; A147-Y150 WeakPolarHBondContact O-CD2 3.33Å; A147-Y150 PolarHBondContact O-N 3.31Å; A147-Y150 VanDerWaalsContact O-N 3.09Å; L148-Y150 PolarHBondContact O-N 3.24Å; Y150-F152 VanDerWaalsContact C-N 3.28Å; Y150-F152 PolarHBondContact O-N 3.41Å; Y150-C259 HydrophobicContact CE1-CB 4.34Å; Y150-P260 WeakPolarHBondContact CD1-O 3.44Å; Y150-P260 WeakPolarHBondContact CE1-O 3.5Å; Y150-E261 HydrophobicContact CD1-CG 4.31Å; Y150-E261 HydrophobicContact CE1-CG 3.6Å
151A97.1Very high97.8Very high3 Ų323.9 Ų23.93%0.02512%0.123CC..G310 helixtrans-79.5-5179.600000114.1L148 H149 E153 Q157 A158 I161L148-A151 PolarHBondContact O-N 3.13Å; L148-A151 VanDerWaalsContact O-N 3.17Å; H149-A151 PolarHBondContact O-N 3.08Å; A151-E153 VanDerWaalsContact C-N 3.28Å; A151-E153 PolarHBondContact O-N 3.04Å; A151-Q157 CarbonylContact O-C 3.56Å; A151-Q157 VanDerWaalsContact O-CB 3.22Å; A151-Q157 WeakPolarHBondContact O-CB 3.45Å; A151-A158 PolarHBondContact O-N 3.48Å; A151-I161 HydrophobicContact CB-CB 4.29Å; A151-I161 HydrophobicContact CB-CD1 4.19Å; A151-I161 HydrophobicContact CB-CG2 3.68Å
152F97.5Very high97.8Very high0 Ų023.9 Ų23.90%012%0.123CC..G310 helixtrans-90.515.3-177.8-84.3-104.6000113.8L148 H149 Y150 S154 A158 F245 G246 F262 V264 L268 L269 L272L148-F152 HydrophobicContact CG-CE2 4.26Å; H149-F152 PolarHBondContact O-N 2.82Å; Y150-F152 VanDerWaalsContact C-N 3.28Å; Y150-F152 PolarHBondContact O-N 3.41Å; F152-S154 VanDerWaalsContact C-N 3.31Å; F152-A158 HydrophobicContact CD1-CB 4.49Å; F152-A158 HydrophobicContact CD2-CB 4.43Å; F152-A158 HydrophobicContact CE1-CB 4.36Å; F152-A158 HydrophobicContact CE2-CB 4.31Å; F152-A158 HydrophobicContact CZ-CB 4.26Å; F152-F245 HydrophobicContact CD1-CD1 4.2Å; F152-F245 HydrophobicContact CD1-CE1 4.25Å; F152-F245 HydrophobicContact CE1-CE1 4.36Å; F152-G246 PolarHBondContact O-N 3.45Å; F152-F262 HydrophobicContact CB-CB 3.86Å; F152-V264 HydrophobicContact CB-CG2 4.26Å; F152-V264 HydrophobicContact CD1-CG1 4.44Å; F152-V264 HydrophobicContact CD1-CG2 4.39Å; F152-V264 HydrophobicContact CD2-CG1 4.33Å; F152-V264 HydrophobicContact CD2-CG2 3.73Å; F152-V264 HydrophobicContact CE1-CG1 4.09Å; F152-V264 HydrophobicContact CE2-CG1 3.98Å; F152-V264 HydrophobicContact CE2-CG2 4.17Å; F152-V264 HydrophobicContact CG-CG2 3.86Å; F152-V264 HydrophobicContact CZ-CG1 3.86Å; F152-L268 HydrophobicContact CE1-CD2 4.33Å; F152-L269 HydrophobicContact CE2-CD1 4.22Å; F152-L269 HydrophobicContact CZ-CB 4.24Å; F152-L269 HydrophobicContact CZ-CD1 3.73Å; F152-L272 HydrophobicContact CE1-CD1 4.38Å
153E96.3Very high97.8Very high47 Ų4726.2 Ų26.222%0.2214%0.139CC..G310 helixtrans-58.6-43.1167.8-178.5169.3-150.300111.6N6 A151 Q157 G246 F262N6-E153 PolarHBondContact ND2-OE1 3.18Å; A151-E153 VanDerWaalsContact C-N 3.28Å; A151-E153 PolarHBondContact O-N 3.04Å; E153-Q157 PolarHBondContact OE2-NE2 2.95Å; E153-Q157 VanDerWaalsContact OE2-NE2 3.11Å; E153-G246 VanDerWaalsContact O-CA 3.29Å; E153-G246 WeakPolarHBondContact O-CA 3.08Å; E153-G246 PolarHBondContact O-N 3.06Å; E153-G246 VanDerWaalsContact O-N 3.09Å; E153-F262 HydrophobicContact CB-CD1 4.33Å; E153-F262 HydrophobicContact CB-CD2 4Å; E153-F262 HydrophobicContact CB-CE1 3.83Å; E153-F262 HydrophobicContact CB-CE2 3.48Å; E153-F262 VanDerWaalsContact CB-CE2 3.48Å; E153-F262 HydrophobicContact CB-CG 4.39Å; E153-F262 HydrophobicContact CB-CZ 3.37Å; E153-F262 HydrophobicContact CG-CE1 3.92Å; E153-F262 HydrophobicContact CG-CE2 4.14Å; E153-F262 HydrophobicContact CG-CZ 3.52Å
154S96.6Very high97.8Very high36 Ų3626.4 Ų26.425%0.25214%0.14SC..SBendtrans-141.5159.4178.272.50000112.4F152 T156 Q157 A158F152-S154 VanDerWaalsContact C-N 3.31Å; S154-T156 PolarHBondContact O-N 3.37Å; S154-Q157 PolarHBondContact O-N 3.49Å; S154-Q157 PolarHBondContact OG-N 2.83Å; S154-Q157 PolarHBondContact OG-OE1 3.5Å; S154-A158 PolarHBondContact O-N 2.9Å; S154-A158 VanDerWaalsContact O-N 3.08Å
155I97.7Very high97.7Very high77 Ų7726.4 Ų26.440%0.39514%0.14SC..Hα-helixtrans-60.9-35174.4-171.3167.7000112.2A158 R159 F245I155-A158 PolarHBondContact O-N 3.06Å; I155-R159 HydrophobicContact CG1-CG 4.24Å; I155-R159 VanDerWaalsContact O-CB 3.28Å; I155-R159 WeakPolarHBondContact O-CB 3.4Å; I155-R159 WeakPolarHBondContact O-CG 3.28Å; I155-R159 PolarHBondContact O-N 3.26Å; I155-F245 HydrophobicContact CB-CD1 4.29Å; I155-F245 HydrophobicContact CB-CD2 3.96Å; I155-F245 HydrophobicContact CB-CE1 4.01Å; I155-F245 HydrophobicContact CB-CE2 3.67Å; I155-F245 HydrophobicContact CB-CG 4.26Å; I155-F245 HydrophobicContact CB-CZ 3.68Å; I155-F245 HydrophobicContact CD1-CE2 3.91Å; I155-F245 HydrophobicContact CD1-CZ 3.97Å; I155-F245 HydrophobicContact CG1-CE1 4.19Å; I155-F245 HydrophobicContact CG1-CE2 3.87Å; I155-F245 HydrophobicContact CG1-CZ 3.59Å
156T97.7Very high97.7Very high98 Ų9826.3 Ų26.360%0.60114%0.142SC*.Hα-helixtrans-62.8-50.1179.1-550000110.2S154 A158 R159 T160S154-T156 PolarHBondContact O-N 3.37Å; T156-A158 PolarHBondContact O-N 2.85Å; T156-R159 PolarHBondContact O-N 2.93Å; T156-T160 WeakPolarHBondContact O-CB 3.37Å; T156-T160 PolarHBondContact O-N 3.21Å; T156-T160 PolarHBondContact O-OG1 3.11Å
157Q97.6Very high97.7Very high21 Ų2126.8 Ų26.810%0.09815%0.15CC..Hα-helixtrans-61.5-45.3178-76.9160.4-65.400112.2S125 A151 E153 S154 R159 T160 I161S125-Q157 WeakPolarHBondContact O-CA 3.41Å; A151-Q157 CarbonylContact O-C 3.56Å; A151-Q157 VanDerWaalsContact O-CB 3.22Å; A151-Q157 WeakPolarHBondContact O-CB 3.45Å; E153-Q157 PolarHBondContact OE2-NE2 2.95Å; E153-Q157 VanDerWaalsContact OE2-NE2 3.11Å; S154-Q157 PolarHBondContact O-N 3.49Å; S154-Q157 PolarHBondContact OG-N 2.83Å; S154-Q157 PolarHBondContact OG-OE1 3.5Å; Q157-R159 VanDerWaalsContact C-N 3.33Å; Q157-R159 PolarHBondContact O-N 3.09Å; Q157-T160 PolarHBondContact O-N 3.3Å; Q157-I161 PolarHBondContact O-N 3.34Å
158A98.3Very high97.7Very high0 Ų026.8 Ų26.80%015%0.148CC..Hα-helixtrans-61.5-41.2177.900000111.9A151 F152 S154 I155 T156 I161 L162 F245 L272A151-A158 PolarHBondContact O-N 3.48Å; F152-A158 HydrophobicContact CD1-CB 4.49Å; F152-A158 HydrophobicContact CD2-CB 4.43Å; F152-A158 HydrophobicContact CE1-CB 4.36Å; F152-A158 HydrophobicContact CE2-CB 4.31Å; F152-A158 HydrophobicContact CZ-CB 4.26Å; S154-A158 PolarHBondContact O-N 2.9Å; S154-A158 VanDerWaalsContact O-N 3.08Å; I155-A158 PolarHBondContact O-N 3.06Å; T156-A158 PolarHBondContact O-N 2.85Å; A158-I161 WeakPolarHBondContact O-CG2 3.35Å; A158-L162 WeakPolarHBondContact O-CB 3.35Å; A158-L162 WeakPolarHBondContact O-CD1 3.27Å; A158-L162 VanDerWaalsContact O-CG 3.24Å; A158-L162 WeakPolarHBondContact O-CG 3.41Å; A158-L162 PolarHBondContact O-N 3.25Å; A158-F245 HydrophobicContact CB-CD1 4.39Å; A158-F245 HydrophobicContact CB-CE1 3.9Å; A158-L272 HydrophobicContact CB-CD1 4.3Å
159R98.5Very high97.7Very high79 Ų7926.8 Ų26.830%0.29815%0.148SC..Hα-helixtrans-68.3-41.7175.9-80.5-171.5174.1-75.9-1.7112.4I155 T156 Q157 L162 S163 L272 D275 Y276I155-R159 HydrophobicContact CG1-CG 4.24Å; I155-R159 VanDerWaalsContact O-CB 3.28Å; I155-R159 WeakPolarHBondContact O-CB 3.4Å; I155-R159 WeakPolarHBondContact O-CG 3.28Å; I155-R159 PolarHBondContact O-N 3.26Å; T156-R159 PolarHBondContact O-N 2.93Å; Q157-R159 VanDerWaalsContact C-N 3.33Å; Q157-R159 PolarHBondContact O-N 3.09Å; R159-L162 PolarHBondContact O-N 2.93Å; R159-S163 VanDerWaalsContact O-CB 3.29Å; R159-S163 WeakPolarHBondContact O-CB 3.37Å; R159-S163 PolarHBondContact O-N 3.05Å; R159-L272 HydrophobicContact CG-CD2 4.42Å; R159-D275 IonicContact CZ-OD2 2.69Å; R159-D275 VanDerWaalsContact CZ-OD2 3.27Å; R159-D275 IonicContact NH1-OD2 2.74Å; R159-D275 PolarHBondContact NH1-OD2 2.95Å; R159-D275 IonicContact NH2-OD2 3.62Å; R159-D275 PolarHBondContact NH2-OD2 3.09Å; R159-Y276 WeakPolarHBondContact CB-OH 3.24Å; R159-Y276 HydrophobicContact CG-CE2 4.37Å; R159-Y276 PolarHBondContact NH1-OH 3.39Å
160T98.2Very high97.6Very high33 Ų3331.9 Ų31.920%0.20217%0.168CC..Hα-helixtrans-60.5-49.2178.3-62.60000111.3S125 T156 Q157 L162 S163 N164S125-T160 WeakPolarHBondContact O-CB 3.14Å; S125-T160 VanDerWaalsContact O-CG2 3.31Å; S125-T160 WeakPolarHBondContact O-CG2 3.23Å; T156-T160 WeakPolarHBondContact O-CB 3.37Å; T156-T160 PolarHBondContact O-N 3.21Å; T156-T160 PolarHBondContact O-OG1 3.11Å; Q157-T160 PolarHBondContact O-N 3.3Å; T160-L162 PolarHBondContact O-N 3.15Å; T160-S163 WeakPolarHBondContact O-CB 3.49Å; T160-S163 PolarHBondContact O-N 3.32Å; T160-N164 WeakPolarHBondContact O-CB 3.37Å; T160-N164 PolarHBondContact O-N 2.92Å; T160-N164 PolarHBondContact O-ND2 2.88Å
161I98.2Very high97.5Very high4 Ų434.5 Ų34.52%0.02118%0.181CC..Hα-helixtrans-64.9-39.3-179.6-164165.5000112C124 L148 A151 Q157 A158 N164 I165C124-I161 HydrophobicContact CB-CD1 3.97Å; C124-I161 HydrophobicContact CB-CG1 4.21Å; C124-I161 WeakPolarHBondContact O-CA 2.92Å; C124-I161 WeakPolarHBondContact O-CB 3.42Å; L148-I161 HydrophobicContact CD1-CD1 4.15Å; L148-I161 HydrophobicContact CD1-CG2 4.06Å; A151-I161 HydrophobicContact CB-CB 4.29Å; A151-I161 HydrophobicContact CB-CD1 4.19Å; A151-I161 HydrophobicContact CB-CG2 3.68Å; Q157-I161 PolarHBondContact O-N 3.34Å; A158-I161 WeakPolarHBondContact O-CG2 3.35Å; I161-N164 WeakPolarHBondContact O-CB 3.13Å; I161-N164 PolarHBondContact O-N 3.03Å; I161-I165 HydrophobicContact CG1-CD1 4.1Å; I161-I165 WeakPolarHBondContact O-CD1 3.38Å; I161-I165 WeakPolarHBondContact O-CG1 3.34Å; I161-I165 PolarHBondContact O-N 2.67Å
162L98.7Very high97.5Very high0 Ų037.1 Ų37.10%020%0.195CC..Hα-helixtrans-66.3-38.6176.2-70.6170.9000112.4A158 R159 T160 I165 S166 L269 L272 A273 Y276 L278A158-L162 WeakPolarHBondContact O-CB 3.35Å; A158-L162 WeakPolarHBondContact O-CD1 3.27Å; A158-L162 VanDerWaalsContact O-CG 3.24Å; A158-L162 WeakPolarHBondContact O-CG 3.41Å; A158-L162 PolarHBondContact O-N 3.25Å; R159-L162 PolarHBondContact O-N 2.93Å; T160-L162 PolarHBondContact O-N 3.15Å; L162-I165 PolarHBondContact O-N 3.08Å; L162-S166 WeakPolarHBondContact O-CB 3.19Å; L162-S166 PolarHBondContact O-N 2.84Å; L162-L269 HydrophobicContact CD1-CD1 4.31Å; L162-L269 HydrophobicContact CD2-CD1 4.05Å; L162-L272 HydrophobicContact CD1-CB 3.51Å; L162-L272 HydrophobicContact CD1-CD1 4.5Å; L162-A273 HydrophobicContact CD2-CB 4.28Å; L162-Y276 HydrophobicContact CB-CD2 3.68Å; L162-Y276 HydrophobicContact CB-CE2 3.93Å; L162-Y276 HydrophobicContact CB-CG 4.41Å; L162-L278 HydrophobicContact CD2-CD1 4.35Å
163S98.1Very high97.5Very high48 Ų4837.3 Ų37.334%0.33620%0.197SC..Hα-helixtrans-62.5-45.4173.1-173.40000111.6R159 T160 S166 S167R159-S163 VanDerWaalsContact O-CB 3.29Å; R159-S163 WeakPolarHBondContact O-CB 3.37Å; R159-S163 PolarHBondContact O-N 3.05Å; T160-S163 WeakPolarHBondContact O-CB 3.49Å; T160-S163 PolarHBondContact O-N 3.32Å; S163-S166 PolarHBondContact O-N 2.86Å; S163-S167 VanDerWaalsContact O-CB 3.29Å; S163-S167 WeakPolarHBondContact O-CB 3.33Å; S163-S167 PolarHBondContact O-N 2.96Å; S163-S167 PolarHBondContact O-OG 2.96Å
164N98.1Very high97.6Very high4 Ų435.8 Ų35.82%0.02119%0.189CC..Hα-helixtrans-59.4-48175.1-76.5-31.8000111.8C124 A127 L129 T160 I161 S167 L168C124-N164 PolarHBondContact O-ND2 3.37Å; A127-N164 PolarHBondContact O-ND2 3.26Å; A127-N164 PolarHBondContact O-OD1 2.87Å; L129-N164 HydrophobicContact CB-CB 4.2Å; L129-N164 HydrophobicContact CD1-CB 3.99Å; L129-N164 HydrophobicContact CG-CB 4.02Å; L129-N164 PolarHBondContact N-OD1 3.1Å; T160-N164 WeakPolarHBondContact O-CB 3.37Å; T160-N164 PolarHBondContact O-N 2.92Å; T160-N164 PolarHBondContact O-ND2 2.88Å; I161-N164 WeakPolarHBondContact O-CB 3.13Å; I161-N164 PolarHBondContact O-N 3.03Å; N164-S167 PolarHBondContact O-OG 3.49Å; N164-S167 VanDerWaalsContact O-OG 3.09Å; N164-L168 WeakPolarHBondContact O-CB 3.37Å; N164-L168 WeakPolarHBondContact O-CG 3.48Å; N164-L168 PolarHBondContact O-N 3.01Å
165I98.3Very high97.7Very high0 Ų034 Ų340%018%0.177CC..Hα-helixtrans-58.2-52.3177.2-69.7159.6000110.2L68 V142 I161 L162 L169 F175 L278L68-I165 HydrophobicContact CD1-CD1 4.29Å; L68-I165 HydrophobicContact CD1-CG1 3.59Å; V142-I165 HydrophobicContact CB-CG2 4.32Å; V142-I165 HydrophobicContact CG1-CG1 4.11Å; V142-I165 HydrophobicContact CG1-CG2 4.18Å; I161-I165 HydrophobicContact CG1-CD1 4.1Å; I161-I165 WeakPolarHBondContact O-CD1 3.38Å; I161-I165 WeakPolarHBondContact O-CG1 3.34Å; I161-I165 PolarHBondContact O-N 2.67Å; L162-I165 PolarHBondContact O-N 3.08Å; I165-L169 VanDerWaalsContact O-CB 3.3Å; I165-L169 WeakPolarHBondContact O-CB 3.23Å; I165-L169 PolarHBondContact O-N 2.88Å; I165-L169 VanDerWaalsContact O-N 3.14Å; I165-F175 HydrophobicContact CD1-CD1 4.39Å; I165-F175 HydrophobicContact CD1-CD2 4.16Å; I165-F175 HydrophobicContact CD1-CE1 3.95Å; I165-F175 HydrophobicContact CD1-CE2 3.72Å; I165-F175 HydrophobicContact CD1-CG 4.49Å; I165-F175 HydrophobicContact CD1-CZ 3.6Å; I165-F175 HydrophobicContact CG1-CD2 4.49Å; I165-F175 HydrophobicContact CG1-CE2 4.42Å; I165-F175 HydrophobicContact CG2-CB 3.74Å; I165-F175 HydrophobicContact CG2-CD1 4.06Å; I165-F175 HydrophobicContact CG2-CD2 3.86Å; I165-F175 HydrophobicContact CG2-CG 3.61Å; I165-L278 HydrophobicContact CB-CD1 4.41Å; I165-L278 HydrophobicContact CG2-CD1 3.87Å; I165-L278 HydrophobicContact CG2-CD2 4.49Å
166S97.6Very high97.8Very high13 Ų1330.4 Ų30.49%0.09116%0.159CC..Hα-helixtrans-65.3-45.6-176.5-178.90000112.3L162 S163 L168 L169 Y276 K369L162-S166 WeakPolarHBondContact O-CB 3.19Å; L162-S166 PolarHBondContact O-N 2.84Å; S163-S166 PolarHBondContact O-N 2.86Å; S166-L168 VanDerWaalsContact C-N 3.26Å; S166-L168 PolarHBondContact O-N 3.19Å; S166-L169 PolarHBondContact O-N 2.86Å; S166-Y276 VanDerWaalsContact CB-O 3.31Å; S166-Y276 WeakPolarHBondContact CB-O 3.49Å; S166-Y276 PolarHBondContact OG-O 2.94Å; S166-K369 WeakPolarHBondContact O-CE 3.46Å; S166-K369 PolarHBondContact O-NZ 3.31Å
167S96.3Very high97.8Very high51 Ų5125.7 Ų25.736%0.35713%0.13SC..Hα-helixtrans-62.7-31.4-177.156.50000113.5P130 S163 N164P130-S167 VanDerWaalsContact CG-OG 3.31Å; P130-S167 WeakPolarHBondContact CG-OG 3.48Å; S163-S167 VanDerWaalsContact O-CB 3.29Å; S163-S167 WeakPolarHBondContact O-CB 3.33Å; S163-S167 PolarHBondContact O-N 2.96Å; S163-S167 PolarHBondContact O-OG 2.96Å; N164-S167 PolarHBondContact O-OG 3.49Å; N164-S167 VanDerWaalsContact O-OG 3.09Å
168L97.5Very high97.9Very high9 Ų924.7 Ų24.75%0.04713%0.125CC..Hα-helixtrans-90.3-15.5-180-66.2172000113.7L66 L129 P130 L133 L138 Y139 N164 S166L66-L168 HydrophobicContact CD2-CB 4.33Å; L66-L168 HydrophobicContact CD2-CD1 3.72Å; L129-L168 HydrophobicContact CB-CD1 3.7Å; L129-L168 HydrophobicContact CD1-CD1 4.18Å; P130-L168 HydrophobicContact CB-CD2 4.46Å; P130-L168 HydrophobicContact CG-CD2 4.03Å; P130-L168 HydrophobicContact CG-CG 4.21Å; L133-L168 HydrophobicContact CD1-CD1 3.62Å; L133-L168 HydrophobicContact CD1-CD2 4.28Å; L138-L168 WeakPolarHBondContact CA-O 3.38Å; Y139-L168 HydrophobicContact CD2-CB 3.93Å; Y139-L168 WeakPolarHBondContact CD2-O 3.44Å; Y139-L168 HydrophobicContact CE2-CB 4.16Å; Y139-L168 HydrophobicContact CE2-CD2 4.36Å; Y139-L168 PolarHBondContact N-O 2.83Å; N164-L168 WeakPolarHBondContact O-CB 3.37Å; N164-L168 WeakPolarHBondContact O-CG 3.48Å; N164-L168 PolarHBondContact O-N 3.01Å; S166-L168 VanDerWaalsContact C-N 3.26Å; S166-L168 PolarHBondContact O-N 3.19Å
169L97.8Very high97.9Very high0 Ų024.8 Ų24.80%013%0.126CC..EExtended strand (participates in β ladder)trans-84137.3179.8-162.770.5000110.9Y139 V142 I165 S166 G173 F174 F175 L278 K369Y139-L169 WeakPolarHBondContact O-CD1 3.42Å; V142-L169 HydrophobicContact CB-CD1 4.2Å; V142-L169 HydrophobicContact CG2-CB 4.34Å; V142-L169 HydrophobicContact CG2-CD1 3.59Å; I165-L169 VanDerWaalsContact O-CB 3.3Å; I165-L169 WeakPolarHBondContact O-CB 3.23Å; I165-L169 PolarHBondContact O-N 2.88Å; I165-L169 VanDerWaalsContact O-N 3.14Å; S166-L169 PolarHBondContact O-N 2.86Å; L169-G173 VanDerWaalsContact CD2-C 3.44Å; L169-G173 WeakPolarHBondContact CD2-O 3.21Å; L169-F174 VanDerWaalsContact CD1-O 3.3Å; L169-F174 WeakPolarHBondContact CD1-O 3.3Å; L169-F175 HydrophobicContact CD2-CB 4.46Å; L169-L278 HydrophobicContact CD2-CD2 4.03Å; L169-K369 HydrophobicContact CB-CD 4.03Å; L169-K369 HydrophobicContact CD2-CB 3.65Å; L169-K369 HydrophobicContact CD2-CD 4.5Å; L169-K369 HydrophobicContact CG-CB 4.34Å; L169-K369 VanDerWaalsContact O-CD 3.28Å; L169-K369 WeakPolarHBondContact O-CD 3.25Å; L169-K369 PolarHBondContact O-NZ 2.94Å
170R96.4Very high97.9Very high109 Ų10921.2 Ų21.241%0.41111%0.113SC..EExtended strand (participates in β ladder)trans-65.1156.1169.2-68.5-177.2-178.7-98.1-2.7110.6L138 Y139 D140 N172 G173L138-R170 HydrophobicContact CB-CG 3.4Å; L138-R170 HydrophobicContact CD1-CG 4.16Å; L138-R170 HydrophobicContact CG-CG 4.42Å; L138-R170 PolarHBondContact O-NE 2.96Å; L138-R170 VanDerWaalsContact O-NE 3.12Å; Y139-R170 PolarHBondContact O-N 3.1Å; D140-R170 WeakPolarHBondContact OD1-CD 3.42Å; R170-N172 PolarHBondContact O-N 3.17Å; R170-G173 WeakPolarHBondContact O-CA 3.37Å; R170-G173 PolarHBondContact O-N 3.09Å
171E95.8Very high97.8Very high93 Ų9320.8 Ų20.844%0.43511%0.109SC..EExtended strand (participates in β ladder)trans-55.5141.7165.7-60.1-169.3155.900109.8G173 N372E171-G173 PolarHBondContact O-N 3.33Å; E171-N372 PolarHBondContact OE1-N 3.1Å
172N96.2Very high97.8Very high57 Ų5720.6 Ų20.631%0.30511%0.108SC..EExtended strand (participates in β ladder)trans61.9-1.1-171.3-58.8-53.2000116.1D57 R170 F174 K368 K369D57-N172 VanDerWaalsContact OD2-CB 3.27Å; D57-N172 WeakPolarHBondContact OD2-CB 3.12Å; R170-N172 PolarHBondContact O-N 3.17Å; N172-F174 WeakPolarHBondContact O-CE2 3.48Å; N172-K368 VanDerWaalsContact CA-CE 3.42Å; N172-K368 VanDerWaalsContact CB-CE 3.44Å; N172-K368 VanDerWaalsContact O-CE 3.25Å; N172-K368 WeakPolarHBondContact O-CE 3.3Å; N172-K368 VanDerWaalsContact OD1-CE 3.3Å; N172-K368 WeakPolarHBondContact OD1-CE 3.34Å; N172-K369 WeakPolarHBondContact CA-O 3.15Å; N172-K369 PolarHBondContact N-O 3.08Å
173G97.8Very high97.7Very high4 Ų426.3 Ų26.34%0.04113%0.131CC..EExtended strand (participates in β ladder)trans-65.1164.117000000112.1D140 L169 R170 E171 K368 K369D140-G173 CarbonylContact O-C 3.56Å; D140-G173 WeakPolarHBondContact O-CA 3.14Å; L169-G173 VanDerWaalsContact CD2-C 3.44Å; L169-G173 WeakPolarHBondContact CD2-O 3.21Å; R170-G173 WeakPolarHBondContact O-CA 3.37Å; R170-G173 PolarHBondContact O-N 3.09Å; E171-G173 PolarHBondContact O-N 3.33Å; G173-K368 WeakPolarHBondContact O-CA 3.45Å; G173-K369 PolarHBondContact O-N 3.27Å
174F98.6Very high97.7Very high15 Ų1525.4 Ų25.47%0.06612%0.121CC..EExtended strand (participates in β ladder)trans-113.7139.4-174.9-66.5-101.7000111.7S55 L56 D140 L141 V142 L169 N172 I281 V366 Y367 K368S55-F174 WeakPolarHBondContact O-CE2 3.37Å; S55-F174 WeakPolarHBondContact O-CZ 3.35Å; L56-F174 HydrophobicContact CD2-CD2 3.64Å; L56-F174 HydrophobicContact CD2-CE2 4.22Å; D140-F174 PolarHBondContact O-N 3.35Å; L141-F174 CarbonylContact C-O 3.28Å; L141-F174 WeakPolarHBondContact CA-O 3.35Å; L141-F174 HydrophobicContact CD1-CB 3.71Å; V142-F174 PolarHBondContact N-O 3.1Å; L169-F174 VanDerWaalsContact CD1-O 3.3Å; L169-F174 WeakPolarHBondContact CD1-O 3.3Å; N172-F174 WeakPolarHBondContact O-CE2 3.48Å; F174-I281 HydrophobicContact CD1-CD1 3.66Å; F174-I281 HydrophobicContact CE1-CD1 3.32Å; F174-V366 HydrophobicContact CD1-CG1 3.87Å; F174-Y367 CarbonylContact C-O 3.47Å; F174-Y367 WeakPolarHBondContact CA-O 3.5Å; F174-K368 HydrophobicContact CE1-CD 4.4Å; F174-K368 HydrophobicContact CE1-CG 4.5Å; F174-K368 HydrophobicContact CZ-CD 4.24Å
175F98.8Very high97.6Very high0 Ų025.3 Ų25.30%012%0.121CC..EExtended strand (participates in β ladder)trans-108.9120.4164.8164.5-130.4000108.5V142 C144 L148 I165 L169 A177 L278 V366 Y367V142-F175 HydrophobicContact CB-CD2 4.3Å; V142-F175 HydrophobicContact CG1-CD2 4.1Å; V142-F175 WeakPolarHBondContact O-CA 3.42Å; C144-F175 HydrophobicContact CB-CE2 3.84Å; C144-F175 HydrophobicContact CB-CZ 4.43Å; L148-F175 HydrophobicContact CD1-CZ 4.35Å; L148-F175 HydrophobicContact CD2-CE1 4.36Å; L148-F175 HydrophobicContact CD2-CZ 4.02Å; I165-F175 HydrophobicContact CD1-CD1 4.39Å; I165-F175 HydrophobicContact CD1-CD2 4.16Å; I165-F175 HydrophobicContact CD1-CE1 3.95Å; I165-F175 HydrophobicContact CD1-CE2 3.72Å; I165-F175 HydrophobicContact CD1-CG 4.49Å; I165-F175 HydrophobicContact CD1-CZ 3.6Å; I165-F175 HydrophobicContact CG1-CD2 4.49Å; I165-F175 HydrophobicContact CG1-CE2 4.42Å; I165-F175 HydrophobicContact CG2-CB 3.74Å; I165-F175 HydrophobicContact CG2-CD1 4.06Å; I165-F175 HydrophobicContact CG2-CD2 3.86Å; I165-F175 HydrophobicContact CG2-CG 3.61Å; L169-F175 HydrophobicContact CD2-CB 4.46Å; F175-A177 HydrophobicContact CE2-CB 4.04Å; F175-A177 HydrophobicContact CZ-CB 3.82Å; F175-L278 HydrophobicContact CB-CD2 4.47Å; F175-L278 HydrophobicContact CD1-CD1 4.47Å; F175-V366 WeakPolarHBondContact O-CA 3.25Å; F175-Y367 AromaticContact CD1-CD2 3.63Å; F175-Y367 HydrophobicContact CD1-CD2 3.63Å; F175-Y367 HydrophobicContact CD1-CE2 4.41Å; F175-Y367 HydrophobicContact CD1-CG 4.17Å; F175-Y367 HydrophobicContact CE1-CD2 4.02Å; F175-Y367 HydrophobicContact CE1-CE2 4.37Å; F175-Y367 PolarHBondContact N-O 3.24Å; F175-Y367 PolarHBondContact O-N 3.43Å
176I98.8Very high97.5Very high0 Ų027.6 Ų27.60%013%0.133CC..EExtended strand (participates in β ladder)trans-117141.4178.164.4169.7000110.8F48 I49 S52 L141 V142 S143 C144 L365 V366F48-I176 HydrophobicContact CD1-CD1 4.48Å; F48-I176 HydrophobicContact CE1-CB 3.8Å; F48-I176 HydrophobicContact CE1-CD1 4.26Å; F48-I176 HydrophobicContact CE1-CG1 4.44Å; F48-I176 HydrophobicContact CE1-CG2 4.42Å; F48-I176 HydrophobicContact CE2-CG2 4.41Å; F48-I176 HydrophobicContact CZ-CB 3.72Å; F48-I176 HydrophobicContact CZ-CG2 3.88Å; I49-I176 HydrophobicContact CG1-CD1 4.07Å; S52-I176 WeakPolarHBondContact OG-CG2 3.43Å; L141-I176 HydrophobicContact CD1-CD1 4.12Å; L141-I176 HydrophobicContact CD1-CG1 3.96Å; L141-I176 HydrophobicContact CD1-CG2 4.02Å; L141-I176 HydrophobicContact CD2-CD1 4.14Å; L141-I176 HydrophobicContact CG-CD1 4.49Å; L141-I176 HydrophobicContact CG-CG1 4.49Å; V142-I176 PolarHBondContact O-N 3.41Å; S143-I176 WeakPolarHBondContact CA-O 3.1Å; C144-I176 PolarHBondContact N-O 3.38Å; I176-L365 WeakPolarHBondContact CA-O 3.33Å; I176-V366 HydrophobicContact CG2-CG1 4.05Å; I176-V366 HydrophobicContact CG2-CG2 4.2Å
177A98.8Very high97.4Very high0 Ų032.3 Ų32.30%015%0.149CC..EExtended strand (participates in β ladder)trans-146.3154.5176.400000112.7C144 L148 F175 I179 L365C144-A177 HydrophobicContact CB-CB 4.35Å; C144-A177 WeakPolarHBondContact O-CA 3.34Å; C144-A177 VanDerWaalsContact O-CB 3.23Å; C144-A177 WeakPolarHBondContact O-CB 3.35Å; L148-A177 HydrophobicContact CD2-CB 4.36Å; F175-A177 HydrophobicContact CE2-CB 4.04Å; F175-A177 HydrophobicContact CZ-CB 3.82Å; A177-I179 HydrophobicContact CB-CG2 4.48Å; A177-L365 HydrophobicContact CB-CB 4.33Å; A177-L365 HydrophobicContact CB-CD1 4.28Å; A177-L365 PolarHBondContact N-O 2.92Å; A177-L365 VanDerWaalsContact N-O 3.08Å; A177-L365 PolarHBondContact O-N 3.35Å
178T98.7Very high97.5Very high0 Ų030.9 Ų30.90%014%0.135CC..EExtended strand (participates in β ladder)trans-111.1123.9164.8-60.30000108.3C144 Q145 F146 F287 Y362 S363 L364C144-T178 PolarHBondContact O-N 3.35Å; Q145-T178 PolarHBondContact OE1-OG1 3.39Å; F146-T178 WeakPolarHBondContact CA-O 3.43Å; F146-T178 HydrophobicContact CD1-CG2 3.83Å; F146-T178 HydrophobicContact CD2-CG2 4.34Å; F146-T178 HydrophobicContact CE1-CG2 3.47Å; F146-T178 VanDerWaalsContact CE1-CG2 3.47Å; F146-T178 HydrophobicContact CE2-CG2 4.02Å; F146-T178 HydrophobicContact CG-CG2 4.26Å; F146-T178 HydrophobicContact CZ-CG2 3.58Å; F146-T178 PolarHBondContact N-O 3.06Å; T178-F287 HydrophobicContact CG2-CE1 3.6Å; T178-F287 HydrophobicContact CG2-CZ 3.71Å; T178-Y362 HydrophobicContact CG2-CD1 4.43Å; T178-S363 WeakPolarHBondContact CA-O 3.45Å; T178-L364 HydrophobicContact CG2-CD2 4.39Å; T178-L364 WeakPolarHBondContact OG1-CD2 3.45Å
179I98.1Very high97.4Very high1 Ų130.5 Ų30.51%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-127.9154.8-178.861.6157.9000111.8L148 A177 V264 Y362 S363 L365L148-I179 HydrophobicContact CB-CG2 3.93Å; L148-I179 HydrophobicContact CD2-CG2 4.07Å; A177-I179 HydrophobicContact CB-CG2 4.48Å; I179-V264 HydrophobicContact CD1-CB 4.12Å; I179-V264 HydrophobicContact CD1-CG1 3.95Å; I179-Y362 WeakPolarHBondContact O-CA 3.31Å; I179-S363 PolarHBondContact N-O 3.38Å; I179-S363 PolarHBondContact O-N 2.93Å; I179-L365 HydrophobicContact CB-CD1 4.4Å; I179-L365 HydrophobicContact CD1-CD1 3.62Å; I179-L365 HydrophobicContact CD1-CD2 4.3Å; I179-L365 HydrophobicContact CD1-CG 4.14Å; I179-L365 HydrophobicContact CG1-CD1 3.71Å; I179-L365 HydrophobicContact CG1-CG 4.01Å; I179-L365 HydrophobicContact CG2-CD1 3.8Å
180P98.2Very high97.3Very high5 Ų532.1 Ų32.13%0.03214%0.143CC..EExtended strand (participates in β ladder)trans-55.1137.1163-25.535.2000111.1H149 A182 L185 Y249 M361 Y362H149-P180 HydrophobicContact CB-CG 4.41Å; H149-P180 WeakPolarHBondContact ND1-CD 3.22Å; P180-A182 PolarHBondContact O-N 3.45Å; P180-L185 HydrophobicContact CB-CD1 3.82Å; P180-Y249 WeakPolarHBondContact CB-OH 3.26Å; P180-Y249 VanDerWaalsContact CG-OH 3.31Å; P180-Y249 WeakPolarHBondContact CG-OH 3.45Å; P180-M361 CarbonylContact C-O 3.58Å; P180-M361 WeakPolarHBondContact CA-O 3.46Å; P180-Y362 HydrophobicContact CG-CE1 4.23Å
181N98Very high97.1Very high23 Ų2330.8 Ų30.812%0.12314%0.142CC..  trans-80.9101.2179.1-177.9-12.4000109.2Y183 E184 L185 M361 S363N181-Y183 PolarHBondContact O-N 2.9Å; N181-Y183 WeakPolarHBondContact OD1-CB 3.31Å; N181-Y183 WeakPolarHBondContact OD1-CD2 3.2Å; N181-Y183 PolarHBondContact OD1-N 2.7Å; N181-Y183 VanDerWaalsContact OD1-N 3.11Å; N181-E184 HydrophobicContact CB-CB 4.07Å; N181-E184 PolarHBondContact O-N 3.21Å; N181-E184 PolarHBondContact OD1-N 2.99Å; N181-L185 PolarHBondContact O-N 2.88Å; N181-M361 PolarHBondContact N-O 2.87Å; N181-S363 WeakPolarHBondContact CB-OG 3.43Å; N181-S363 PolarHBondContact ND2-OG 3.16Å
182A97.4Very high97Very high1 Ų127.3 Ų27.31%0.00813%0.129CC..Hα-helixtrans-54.5-37.7-179.500000113.2P180 E184 L185 L186 V263 V264P180-A182 PolarHBondContact O-N 3.45Å; A182-E184 VanDerWaalsContact C-N 3.32Å; A182-E184 PolarHBondContact O-N 3.11Å; A182-L185 PolarHBondContact O-N 2.89Å; A182-L186 VanDerWaalsContact O-CB 3.31Å; A182-L186 WeakPolarHBondContact O-CB 3.46Å; A182-L186 VanDerWaalsContact O-CD1 3.27Å; A182-L186 WeakPolarHBondContact O-CD1 3.23Å; A182-L186 PolarHBondContact O-N 3.13Å; A182-V263 HydrophobicContact CB-CG1 3.66Å; A182-V264 VanDerWaalsContact CB-O 3.31Å; A182-V264 WeakPolarHBondContact CB-O 3.37Å
183Y96.6Very high96.8Very high120 Ų12024.7 Ų24.747%0.47112%0.115SC..Hα-helixtrans-64.5-40.2179.3-56.1-69.9000111.7N181 R187 Y265 P266 P267N181-Y183 PolarHBondContact O-N 2.9Å; N181-Y183 WeakPolarHBondContact OD1-CB 3.31Å; N181-Y183 WeakPolarHBondContact OD1-CD2 3.2Å; N181-Y183 PolarHBondContact OD1-N 2.7Å; N181-Y183 VanDerWaalsContact OD1-N 3.11Å; Y183-R187 VanDerWaalsContact O-CB 3.26Å; Y183-R187 WeakPolarHBondContact O-CB 3.32Å; Y183-R187 PolarHBondContact O-N 2.59Å; Y183-Y265 AromaticContact CE1-CE2 4Å; Y183-Y265 HydrophobicContact CE1-CE2 4Å; Y183-P266 HydrophobicContact CE2-CG 3.95Å; Y183-P267 WeakPolarHBondContact OH-CD 3.47Å
184E97.3Very high96.4Very high28 Ų2826.3 Ų26.313%0.13112%0.123CC..Hα-helixtrans-72.6-40.8178.7-174.960.3-172.700111.8N181 A182 R187 R188 M361N181-E184 HydrophobicContact CB-CB 4.07Å; N181-E184 PolarHBondContact O-N 3.21Å; N181-E184 PolarHBondContact OD1-N 2.99Å; A182-E184 VanDerWaalsContact C-N 3.32Å; A182-E184 PolarHBondContact O-N 3.11Å; E184-R187 PolarHBondContact O-N 3.39Å; E184-R187 IonicContact OE1-CZ 2.63Å; E184-R187 IonicContact OE1-NE 3.68Å; E184-R187 IonicContact OE1-NH2 2.67Å; E184-R187 PolarHBondContact OE1-NH2 3.03Å; E184-R187 IonicContact OE2-CZ 2.69Å; E184-R187 IonicContact OE2-NE 3.16Å; E184-R187 PolarHBondContact OE2-NE 3.27Å; E184-R187 IonicContact OE2-NH2 3.67Å; E184-R187 PolarHBondContact OE2-NH2 2.88Å; E184-R188 WeakPolarHBondContact O-CG 3.38Å; E184-R188 PolarHBondContact O-N 3.43Å; E184-R188 IonicContact OE1-CZ 3.04Å; E184-R188 IonicContact OE1-NE 2.85Å; E184-R188 PolarHBondContact OE1-NE 3.3Å; E184-R188 IonicContact OE1-NH2 3.75Å; E184-R188 PolarHBondContact OE1-NH2 3.36Å; E184-M361 HydrophobicContact CG-CG 4.14Å
185L97.5Very high95.9Very high3 Ų332 Ų322%0.01615%0.147CC..Hα-helixtrans-58.1-49.2173.5-71.3175.6000111.2P180 N181 A182 R188 A189 F211 V218 Y249 M361P180-L185 HydrophobicContact CB-CD1 3.82Å; N181-L185 PolarHBondContact O-N 2.88Å; A182-L185 PolarHBondContact O-N 2.89Å; L185-R188 PolarHBondContact O-N 3.25Å; L185-A189 VanDerWaalsContact O-CB 3.28Å; L185-A189 WeakPolarHBondContact O-CB 3.29Å; L185-A189 PolarHBondContact O-N 2.96Å; L185-F211 HydrophobicContact CD2-CZ 4.04Å; L185-V218 HydrophobicContact CD2-CG1 4.45Å; L185-V218 HydrophobicContact CD2-CG2 4.13Å; L185-Y249 HydrophobicContact CD1-CE1 3.98Å; L185-Y249 HydrophobicContact CD1-CE2 4.33Å; L185-M361 HydrophobicContact CD2-SD 4.3Å
186L95.9Very high95.3Very high48 Ų4836.1 Ų36.125%0.25117%0.167SC..Hα-helixtrans-66.6-39.3-179.2-90.555.6000112A182 T190 F242 V263A182-L186 VanDerWaalsContact O-CB 3.31Å; A182-L186 WeakPolarHBondContact O-CB 3.46Å; A182-L186 VanDerWaalsContact O-CD1 3.27Å; A182-L186 WeakPolarHBondContact O-CD1 3.23Å; A182-L186 PolarHBondContact O-N 3.13Å; L186-T190 VanDerWaalsContact O-CB 3.32Å; L186-T190 WeakPolarHBondContact O-CB 3.47Å; L186-T190 PolarHBondContact O-N 3.2Å; L186-T190 PolarHBondContact O-OG1 2.89Å; L186-F242 HydrophobicContact CD1-CD2 3.86Å; L186-F242 HydrophobicContact CD1-CE2 3.86Å; L186-F242 HydrophobicContact CD1-CG 4.46Å; L186-F242 HydrophobicContact CD1-CZ 4.46Å; L186-F242 HydrophobicContact CD2-CD2 4.05Å; L186-F242 HydrophobicContact CD2-CE2 4.41Å; L186-F242 HydrophobicContact CG-CD2 3.72Å; L186-F242 HydrophobicContact CG-CE2 3.62Å; L186-V263 HydrophobicContact CD1-CG1 4Å; L186-V263 HydrophobicContact CD1-CG2 4.37Å
187R95.9Very high94.6Very high112 Ų11238.4 Ų38.442%0.42318%0.18SC..Hα-helixtrans-59.1-53.6174.6-174.8-173.373.385.4-3.1110.7Y183 E184 A189 T190 E191Y183-R187 VanDerWaalsContact O-CB 3.26Å; Y183-R187 WeakPolarHBondContact O-CB 3.32Å; Y183-R187 PolarHBondContact O-N 2.59Å; E184-R187 PolarHBondContact O-N 3.39Å; E184-R187 IonicContact OE1-CZ 2.63Å; E184-R187 IonicContact OE1-NE 3.68Å; E184-R187 IonicContact OE1-NH2 2.67Å; E184-R187 PolarHBondContact OE1-NH2 3.03Å; E184-R187 IonicContact OE2-CZ 2.69Å; E184-R187 IonicContact OE2-NE 3.16Å; E184-R187 PolarHBondContact OE2-NE 3.27Å; E184-R187 IonicContact OE2-NH2 3.67Å; E184-R187 PolarHBondContact OE2-NH2 2.88Å; R187-A189 PolarHBondContact O-N 3.19Å; R187-T190 PolarHBondContact O-N 3.25Å; R187-E191 IonicContact CZ-OE1 3.35Å; R187-E191 IonicContact NH1-OE1 2.91Å; R187-E191 PolarHBondContact NH1-OE1 2.79Å; R187-E191 IonicContact NH1-OE2 3.79Å; R187-E191 PolarHBondContact NH1-OE2 3.42Å; R187-E191 VanDerWaalsContact NH1-OE2 3.16Å; R187-E191 WeakPolarHBondContact O-CG 3.36Å; R187-E191 PolarHBondContact O-N 2.88Å
188R97.1Very high93.9Very high21 Ų2145.7 Ų45.78%0.07921%0.214CC..Hα-helixtrans-64.1-39.6-179.5-68.3-173.8-170.2-175.712.7112.5E184 L185 T190 E191 A192 F211 Y216 E357 S360E184-R188 WeakPolarHBondContact O-CG 3.38Å; E184-R188 PolarHBondContact O-N 3.43Å; E184-R188 IonicContact OE1-CZ 3.04Å; E184-R188 IonicContact OE1-NE 2.85Å; E184-R188 PolarHBondContact OE1-NE 3.3Å; E184-R188 IonicContact OE1-NH2 3.75Å; E184-R188 PolarHBondContact OE1-NH2 3.36Å; L185-R188 PolarHBondContact O-N 3.25Å; R188-T190 VanDerWaalsContact C-N 3.35Å; R188-E191 PolarHBondContact O-N 2.73Å; R188-A192 WeakPolarHBondContact O-CB 3.47Å; R188-A192 PolarHBondContact O-N 3.44Å; R188-F211 HydrophobicContact CB-CD1 4.16Å; R188-F211 HydrophobicContact CB-CD2 3.63Å; R188-F211 HydrophobicContact CB-CE1 4.05Å; R188-F211 HydrophobicContact CB-CE2 3.52Å; R188-F211 HydrophobicContact CB-CG 3.95Å; R188-F211 HydrophobicContact CB-CZ 3.73Å; R188-F211 HydrophobicContact CG-CD2 4.35Å; R188-F211 HydrophobicContact CG-CE2 4.2Å; R188-Y216 PolarHBondContact NH1-OH 3.39Å; R188-E357 PolarHBondContact NH1-O 2.99Å; R188-E357 PolarHBondContact NH2-O 3.36Å; R188-S360 PolarHBondContact NH2-OG 3.39Å
189A96.6Very high93.2Very high0 Ų054.3 Ų54.30%025%0.252CS..Hα-helixtrans-61.6-43.6174.600000111.6L185 R187 A192 L193 I209 F211 F220 L240 F242L185-A189 VanDerWaalsContact O-CB 3.28Å; L185-A189 WeakPolarHBondContact O-CB 3.29Å; L185-A189 PolarHBondContact O-N 2.96Å; R187-A189 PolarHBondContact O-N 3.19Å; A189-A192 PolarHBondContact O-N 3.35Å; A189-L193 PolarHBondContact O-N 2.7Å; A189-I209 HydrophobicContact CB-CG2 4.1Å; A189-I209 WeakPolarHBondContact O-CG2 3.19Å; A189-F211 HydrophobicContact CB-CD1 4.39Å; A189-F211 HydrophobicContact CB-CE1 3.94Å; A189-F220 HydrophobicContact CB-CD2 4.18Å; A189-F220 HydrophobicContact CB-CE2 4.1Å; A189-L240 HydrophobicContact CB-CD1 3.59Å; A189-F242 HydrophobicContact CB-CZ 4.41Å
190T94.1Very high91.8Very high35 Ų3563.1 Ų63.122%0.21529%0.293CS..Hα-helixtrans-67.1-38.7178.5-57.80000111.6L186 R187 R188 L193 N194 L238L186-T190 VanDerWaalsContact O-CB 3.32Å; L186-T190 WeakPolarHBondContact O-CB 3.47Å; L186-T190 PolarHBondContact O-N 3.2Å; L186-T190 PolarHBondContact O-OG1 2.89Å; R187-T190 PolarHBondContact O-N 3.25Å; R188-T190 VanDerWaalsContact C-N 3.35Å; T190-L193 PolarHBondContact O-N 3.18Å; T190-N194 PolarHBondContact O-N 3.49Å; T190-N194 PolarHBondContact O-ND2 3.47Å; T190-L238 WeakPolarHBondContact CG2-O 3.33Å
191E93.4Very high90.3Very high81 Ų8164.3 Ų64.338%0.37930%0.303SS..Hα-helixtrans-64.2-42.1173.5-74.8171.9-171.400112.1R187 R188 N194 K195R187-E191 IonicContact CZ-OE1 3.35Å; R187-E191 IonicContact NH1-OE1 2.91Å; R187-E191 PolarHBondContact NH1-OE1 2.79Å; R187-E191 IonicContact NH1-OE2 3.79Å; R187-E191 PolarHBondContact NH1-OE2 3.42Å; R187-E191 VanDerWaalsContact NH1-OE2 3.16Å; R187-E191 WeakPolarHBondContact O-CG 3.36Å; R187-E191 PolarHBondContact O-N 2.88Å; R188-E191 PolarHBondContact O-N 2.73Å; E191-N194 PolarHBondContact O-N 2.92Å; E191-K195 WeakPolarHBondContact O-CB 3.36Å; E191-K195 WeakPolarHBondContact O-CG 3.14Å; E191-K195 PolarHBondContact O-N 2.85Å
192A93.7Very high89.3Confident20 Ų2065.6 Ų65.617%0.16531%0.314CS..Hα-helixtrans-62.3-43.4175.600000111.9R188 A189 K195 H196 I209 F211R188-A192 WeakPolarHBondContact O-CB 3.47Å; R188-A192 PolarHBondContact O-N 3.44Å; A189-A192 PolarHBondContact O-N 3.35Å; A192-K195 PolarHBondContact O-N 2.56Å; A192-H196 WeakPolarHBondContact O-CB 3.3Å; A192-H196 PolarHBondContact O-N 3.41Å; A192-I209 HydrophobicContact CB-CG2 4Å; A192-F211 HydrophobicContact CB-CB 4.09Å
193L92.2Very high88.2Confident1 Ų166.7 Ų66.71%0.00532%0.319CS..Hα-helixtrans-56.9-52.5173.5172.563.7000111.8A189 T190 K195 H196 V197 I206 I209 I227 L238 L240A189-L193 PolarHBondContact O-N 2.7Å; T190-L193 PolarHBondContact O-N 3.18Å; L193-K195 VanDerWaalsContact C-N 3.29Å; L193-K195 PolarHBondContact O-N 2.95Å; L193-H196 WeakPolarHBondContact O-CB 3.32Å; L193-H196 PolarHBondContact O-N 2.86Å; L193-H196 VanDerWaalsContact O-N 3.07Å; L193-V197 HydrophobicContact CD1-CG2 4.16Å; L193-V197 PolarHBondContact O-N 2.93Å; L193-I206 HydrophobicContact CD1-CD1 3.19Å; L193-I209 HydrophobicContact CB-CD1 4.22Å; L193-I209 HydrophobicContact CD1-CD1 4.41Å; L193-I227 HydrophobicContact CD1-CD1 3.94Å; L193-I227 HydrophobicContact CD2-CD1 4.46Å; L193-I227 HydrophobicContact CD2-CG1 4.21Å; L193-I227 HydrophobicContact CD2-CG2 4.25Å; L193-L238 HydrophobicContact CD1-CD1 4.3Å; L193-L238 HydrophobicContact CD2-CB 3.58Å; L193-L238 HydrophobicContact CD2-CD1 4.29Å; L193-L238 HydrophobicContact CG-CB 4.13Å; L193-L238 HydrophobicContact CG-CD1 4.23Å; L193-L240 HydrophobicContact CD2-CD2 3.82Å; L193-L240 HydrophobicContact CD2-CG 3.89Å
194N89.1Confident87.2Confident39 Ų3968.3 Ų68.321%0.20933%0.329CS..Hα-helixtrans-64-36.1-177.3-76.1-66.3000111.6T190 E191 Q198 L238T190-N194 PolarHBondContact O-N 3.49Å; T190-N194 PolarHBondContact O-ND2 3.47Å; E191-N194 PolarHBondContact O-N 2.92Å; N194-Q198 WeakPolarHBondContact O-CB 3.15Å; N194-Q198 WeakPolarHBondContact O-CG 3.49Å; N194-Q198 PolarHBondContact O-N 3.13Å; N194-L238 PolarHBondContact ND2-O 2.85Å; N194-L238 VanDerWaalsContact ND2-O 3.12Å; N194-L238 PolarHBondContact OD1-N 2.87Å
195K88.6Confident86.5Confident133 Ų13372.5 Ų72.558%0.57835%0.352SS*.Hα-helixtrans-64.8-38.3172.2-74.2174.1-178.1175.60112.4E191 A192 L193 K199E191-K195 WeakPolarHBondContact O-CB 3.36Å; E191-K195 WeakPolarHBondContact O-CG 3.14Å; E191-K195 PolarHBondContact O-N 2.85Å; A192-K195 PolarHBondContact O-N 2.56Å; L193-K195 VanDerWaalsContact C-N 3.29Å; L193-K195 PolarHBondContact O-N 2.95Å; K195-K199 WeakPolarHBondContact O-CG 3.41Å; K195-K199 PolarHBondContact O-N 2.87Å
196H85.9Confident86Confident88 Ų8872.5 Ų72.541%0.40735%0.352SS..Hα-helixtrans-65.6-47.7178.8-168.288.1000111.4A192 L193 Q198 K199 A201A192-H196 WeakPolarHBondContact O-CB 3.3Å; A192-H196 PolarHBondContact O-N 3.41Å; L193-H196 WeakPolarHBondContact O-CB 3.32Å; L193-H196 PolarHBondContact O-N 2.86Å; L193-H196 VanDerWaalsContact O-N 3.07Å; H196-Q198 PolarHBondContact O-N 2.87Å; H196-K199 PolarHBondContact O-N 3.02Å; H196-K199 VanDerWaalsContact O-N 3.13Å; H196-A201 WeakPolarHBondContact CD2-CB 3.26Å; H196-A201 WeakPolarHBondContact NE2-CB 3.31Å
197V84.3Confident85.7Confident48 Ų4876.7 Ų76.729%0.29137%0.371SS..Hα-helixtrans-68.4-33.6179.7175.60000112.4L193 K199 Q200 E203 I206 L238L193-V197 HydrophobicContact CD1-CG2 4.16Å; L193-V197 PolarHBondContact O-N 2.93Å; V197-K199 PolarHBondContact O-N 2.9Å; V197-Q200 PolarHBondContact O-N 3.1Å; V197-Q200 VanDerWaalsContact O-N 3.11Å; V197-E203 HydrophobicContact CG2-CB 4.28Å; V197-I206 HydrophobicContact CG2-CD1 4Å; V197-L238 HydrophobicContact CB-CD1 4.16Å; V197-L238 HydrophobicContact CG1-CD1 4.17Å; V197-L238 HydrophobicContact CG2-CD1 3.58Å
198Q83.1Confident85.7Confident152 Ų15276.2 Ų76.271%0.7137%0.373SS*.Hα-helixtrans-62.5-28.5172.7-77.6171.915.200113.2N194 H196 Q200N194-Q198 WeakPolarHBondContact O-CB 3.15Å; N194-Q198 WeakPolarHBondContact O-CG 3.49Å; N194-Q198 PolarHBondContact O-N 3.13Å; H196-Q198 PolarHBondContact O-N 2.87Å; Q198-Q200 PolarHBondContact O-N 3.45Å; Q198-Q200 VanDerWaalsContact O-N 3.16Å
199K83.5Confident85.6Confident181 Ų18175.5 Ų75.579%0.78737%0.371SS*.THydrogen-bonded Turntrans-80.420.7174.9-68.5179.6178.6-174.20113.1K195 H196 V197 A201K195-K199 WeakPolarHBondContact O-CG 3.41Å; K195-K199 PolarHBondContact O-N 2.87Å; H196-K199 PolarHBondContact O-N 3.02Å; H196-K199 VanDerWaalsContact O-N 3.13Å; V197-K199 PolarHBondContact O-N 2.9Å; K199-A201 VanDerWaalsContact C-N 3.3Å; K199-A201 PolarHBondContact O-N 3.13Å
200Q69.4Low85.6Confident186 Ų18681.2 Ų81.287%0.86940%0.396SS*.THydrogen-bonded Turntrans6718.1176-57.2-175.3-11.200116V197 Q198V197-Q200 PolarHBondContact O-N 3.1Å; V197-Q200 VanDerWaalsContact O-N 3.11Å; Q198-Q200 PolarHBondContact O-N 3.45Å; Q198-Q200 VanDerWaalsContact O-N 3.16Å
201A67.1Low85.7Confident30 Ų3080.7 Ų80.725%0.24839%0.39CS..  trans-77.8132.7164.700000110H196 K199H196-A201 WeakPolarHBondContact CD2-CB 3.26Å; H196-A201 WeakPolarHBondContact NE2-CB 3.31Å; K199-A201 VanDerWaalsContact C-N 3.3Å; K199-A201 PolarHBondContact O-N 3.13Å
202S77.3Confident85.9Confident51 Ų5178.7 Ų78.736%0.35739%0.391SS..  trans-61.6139.8172.4178.50000110F204 D205S202-F204 PolarHBondContact O-N 3.41Å; S202-F204 VanDerWaalsContact O-N 3.15Å; S202-F204 WeakPolarHBondContact OG-CD2 3.46Å; S202-F204 PolarHBondContact OG-N 2.93Å; S202-D205 WeakPolarHBondContact CB-OD2 3.26Å; S202-D205 PolarHBondContact O-N 3.45Å; S202-D205 VanDerWaalsContact O-N 3.16Å
203E73.7Confident86Confident24 Ų2479.2 Ų79.211%0.11239%0.391CS..G310 helixtrans-61.7-21.8175.369.2-177.3165.700113V197 D205 I227 R229 L238V197-E203 HydrophobicContact CG2-CB 4.28Å; E203-D205 VanDerWaalsContact C-N 3.35Å; E203-I227 HydrophobicContact CB-CD1 4.36Å; E203-R229 IonicContact OE1-CZ 3.17Å; E203-R229 IonicContact OE1-NE 3.55Å; E203-R229 PolarHBondContact OE1-NE 3.08Å; E203-R229 IonicContact OE1-NH2 3.54Å; E203-R229 PolarHBondContact OE1-NH2 3.05Å; E203-R229 IonicContact OE2-NE 2.65Å; E203-L238 HydrophobicContact CB-CD1 4.05Å; E203-L238 WeakPolarHBondContact OE2-CD2 3.39Å
204F75.8Confident86Confident153 Ų15384.5 Ų84.567%0.67143%0.426SS*.G310 helixtrans-73.2-27.1179.3-64.9-76.3000112.6S202 I206S202-F204 PolarHBondContact O-N 3.41Å; S202-F204 VanDerWaalsContact O-N 3.15Å; S202-F204 WeakPolarHBondContact OG-CD2 3.46Å; S202-F204 PolarHBondContact OG-N 2.93Å; F204-I206 VanDerWaalsContact C-N 3.31Å; F204-I206 PolarHBondContact O-N 3.06Å
205D81.6Confident86.3Confident116 Ų11682.8 Ų82.862%0.6242%0.417SS*.G310 helixtrans-89.44.6-174.9-57.7-28.4000113.1S202 E203 E207S202-D205 WeakPolarHBondContact CB-OD2 3.26Å; S202-D205 PolarHBondContact O-N 3.45Å; S202-D205 VanDerWaalsContact O-N 3.16Å; E203-D205 VanDerWaalsContact C-N 3.35Å; D205-E207 PolarHBondContact O-N 3.22Å
206I87.4Confident86.7Confident4 Ų476.7 Ų76.72%0.02139%0.39CS..  trans-79.7105.1-176.3-58.2-178.8000109.7L193 V197 F204 E208 I209 K222 F225 I227L193-I206 HydrophobicContact CD1-CD1 3.19Å; V197-I206 HydrophobicContact CG2-CD1 4Å; F204-I206 VanDerWaalsContact C-N 3.31Å; F204-I206 PolarHBondContact O-N 3.06Å; I206-E208 WeakPolarHBondContact CG2-O 3.46Å; I206-I209 HydrophobicContact CG2-CG1 3.97Å; I206-K222 VanDerWaalsContact O-CD 3.28Å; I206-K222 WeakPolarHBondContact O-CD 3.42Å; I206-K222 WeakPolarHBondContact O-CE 3.41Å; I206-K222 PolarHBondContact O-NZ 2.87Å; I206-F225 HydrophobicContact CG2-CZ 4.11Å; I206-I227 HydrophobicContact CD1-CD1 4.21Å
207E90.5Very high87.3Confident136 Ų13673.6 Ų73.664%0.63638%0.378SS*.  trans-86.5-25.4175-68.5-57138.400113.5D205 K222D205-E207 PolarHBondContact O-N 3.22Å; E207-K222 WeakPolarHBondContact O-CA 3.13Å; E207-K222 VanDerWaalsContact O-CB 3.26Å; E207-K222 WeakPolarHBondContact O-CB 3.31Å; E207-K222 PolarHBondContact O-N 3.09Å
208E94.6Very high87.9Confident101 Ų10171.3 Ų71.347%0.47236%0.364SS..EExtended strand (participates in β ladder)trans-152156.4175.863.3174.7-141.800111.9I206 T219 F220I206-E208 WeakPolarHBondContact CG2-O 3.46Å; E208-T219 HydrophobicContact CB-CG2 4.04Å; E208-T219 HydrophobicContact CG-CG2 4.28Å; E208-T219 WeakPolarHBondContact OE2-CG2 3.4Å; E208-F220 CarbonylContact C-O 3.54Å; E208-F220 VanDerWaalsContact CA-O 3.23Å; E208-F220 WeakPolarHBondContact CA-O 3.49Å; E208-F220 WeakPolarHBondContact CB-O 3.2Å
209I95.6Very high88.7Confident6 Ų665 Ų653%0.03134%0.336CS..EExtended strand (participates in β ladder)trans-115.6116.7170.5-65.2172.4000107.7A189 A192 L193 I206 T219 F220 F225 L240A189-I209 HydrophobicContact CB-CG2 4.1Å; A189-I209 WeakPolarHBondContact O-CG2 3.19Å; A192-I209 HydrophobicContact CB-CG2 4Å; L193-I209 HydrophobicContact CB-CD1 4.22Å; L193-I209 HydrophobicContact CD1-CD1 4.41Å; I206-I209 HydrophobicContact CG2-CG1 3.97Å; I209-T219 WeakPolarHBondContact O-CA 3.21Å; I209-F220 HydrophobicContact CB-CB 4.35Å; I209-F220 PolarHBondContact N-O 3.36Å; I209-F220 PolarHBondContact O-N 3.01Å; I209-F225 HydrophobicContact CB-CE1 4.34Å; I209-F225 HydrophobicContact CD1-CD1 4.16Å; I209-F225 HydrophobicContact CD1-CD2 3.91Å; I209-F225 HydrophobicContact CD1-CE1 3.8Å; I209-F225 HydrophobicContact CD1-CE2 3.53Å; I209-F225 HydrophobicContact CD1-CG 4.22Å; I209-F225 HydrophobicContact CD1-CZ 3.47Å; I209-F225 VanDerWaalsContact CD1-CZ 3.47Å; I209-F225 HydrophobicContact CG1-CE1 3.86Å; I209-F225 HydrophobicContact CG1-CE2 4.13Å; I209-F225 HydrophobicContact CG1-CZ 3.58Å; I209-L240 HydrophobicContact CD1-CD1 3.51Å; I209-L240 HydrophobicContact CD1-CD2 3.35Å; I209-L240 HydrophobicContact CD1-CG 4.01Å
210K96.2Very high89.3Confident121 Ų12156.4 Ų56.453%0.52630%0.299SS..EExtended strand (participates in β ladder)trans-120.3134.9-177.4-172.8170.4-178174.20111.2V218 T219K210-V218 WeakPolarHBondContact CA-O 3.18Å; K210-T219 HydrophobicContact CB-CG2 4.41Å
211F97.4Very high90.6Very high23 Ų2349.8 Ų49.810%0.10127%0.272CS..EExtended strand (participates in β ladder)trans-145161.6169.564-91.2000110.3L185 R188 A189 A192 Y216 S217 V218 F220 M361L185-F211 HydrophobicContact CD2-CZ 4.04Å; R188-F211 HydrophobicContact CB-CD1 4.16Å; R188-F211 HydrophobicContact CB-CD2 3.63Å; R188-F211 HydrophobicContact CB-CE1 4.05Å; R188-F211 HydrophobicContact CB-CE2 3.52Å; R188-F211 HydrophobicContact CB-CG 3.95Å; R188-F211 HydrophobicContact CB-CZ 3.73Å; R188-F211 HydrophobicContact CG-CD2 4.35Å; R188-F211 HydrophobicContact CG-CE2 4.2Å; A189-F211 HydrophobicContact CB-CD1 4.39Å; A189-F211 HydrophobicContact CB-CE1 3.94Å; A192-F211 HydrophobicContact CB-CB 4.09Å; F211-Y216 HydrophobicContact CD2-CE2 4.18Å; F211-Y216 WeakPolarHBondContact CD2-OH 3.24Å; F211-Y216 HydrophobicContact CE2-CE2 4.11Å; F211-S217 WeakPolarHBondContact O-CA 3.49Å; F211-V218 HydrophobicContact CD1-CB 4.23Å; F211-V218 HydrophobicContact CD1-CG1 4.41Å; F211-V218 HydrophobicContact CD2-CB 4.19Å; F211-V218 HydrophobicContact CD2-CG2 4.48Å; F211-V218 HydrophobicContact CE1-CB 3.74Å; F211-V218 HydrophobicContact CE1-CG1 3.59Å; F211-V218 HydrophobicContact CE1-CG2 4.5Å; F211-V218 HydrophobicContact CE2-CB 3.68Å; F211-V218 HydrophobicContact CE2-CG1 4.27Å; F211-V218 HydrophobicContact CE2-CG2 3.69Å; F211-V218 HydrophobicContact CG-CB 4.45Å; F211-V218 HydrophobicContact CZ-CB 3.44Å; F211-V218 VanDerWaalsContact CZ-CB 3.44Å; F211-V218 HydrophobicContact CZ-CG1 3.51Å; F211-V218 HydrophobicContact CZ-CG2 3.72Å; F211-V218 PolarHBondContact N-O 3.26Å; F211-V218 PolarHBondContact O-N 2.79Å; F211-F220 HydrophobicContact CE1-CD2 4.23Å; F211-F220 AromaticContact CE1-CE2 3.89Å; F211-F220 HydrophobicContact CE1-CE2 3.89Å; F211-F220 HydrophobicContact CZ-CE2 4.42Å; F211-M361 HydrophobicContact CE2-SD 4.28Å
212G97Very high91.9Very high39 Ų3951.9 Ų51.940%0.40228%0.276SS..EExtended strand (participates in β ladder)trans160.5-169.4-174.700000111.4Y216G212-Y216 CarbonylContact C-O 3.48Å; G212-Y216 WeakPolarHBondContact CA-O 3.44Å
213N95.6Very high92.7Very high31 Ų3154.2 Ų54.217%0.16630%0.299CS..  trans-144.4-171.717567.424.9000107.8V215 Y216 S354 E357N213-V215 PolarHBondContact O-N 3.36Å; N213-V215 VanDerWaalsContact O-N 3.13Å; N213-V215 WeakPolarHBondContact OD1-CG2 3.44Å; N213-V215 PolarHBondContact OD1-N 3.37Å; N213-Y216 HydrophobicContact CB-CE1 4.36Å; N213-Y216 VanDerWaalsContact CG-CD1 3.45Å; N213-Y216 PolarHBondContact N-O 3.43Å; N213-Y216 WeakPolarHBondContact ND2-CD1 3.47Å; N213-Y216 VanDerWaalsContact ND2-CE1 3.26Å; N213-Y216 WeakPolarHBondContact ND2-CE1 3.41Å; N213-Y216 PolarHBondContact O-N 2.99Å; N213-Y216 WeakPolarHBondContact OD1-CD1 3.35Å; N213-Y216 PolarHBondContact OD1-N 3.28Å; N213-S354 WeakPolarHBondContact ND2-CA 3.39Å; N213-S354 WeakPolarHBondContact ND2-CB 3.4Å; N213-S354 PolarHBondContact ND2-O 2.92Å; N213-E357 PolarHBondContact ND2-OE2 3.3Å
214P93.2Very high93.7Very high112 Ų11253.3 Ų53.373%0.72730%0.295SS*.SBendtrans-59.3-22.7-178.7-28.437.5000115.7
215V94.2Very high94.6Very high3 Ų346.5 Ų46.52%0.01827%0.265CS..SBendtrans-99.7-22.7-176.6-54.70000113.9R33 I34 N213 D254 V358R33-V215 HydrophobicContact CG-CG1 3.93Å; I34-V215 HydrophobicContact CG2-CB 3.83Å; I34-V215 HydrophobicContact CG2-CG1 3.93Å; I34-V215 HydrophobicContact CG2-CG2 4.45Å; N213-V215 PolarHBondContact O-N 3.36Å; N213-V215 VanDerWaalsContact O-N 3.13Å; N213-V215 WeakPolarHBondContact OD1-CG2 3.44Å; N213-V215 PolarHBondContact OD1-N 3.37Å; V215-D254 PolarHBondContact O-N 3.36Å; V215-V358 HydrophobicContact CG2-CG2 3.71Å
216Y97.2Very high95.2Very high5 Ų544.4 Ų44.42%0.0226%0.259CS..EExtended strand (participates in β ladder)trans-143.2155.2-178.791.9-86.1000113R188 F211 G212 N213 V218 F251 F252 E357 V358 M361R188-Y216 PolarHBondContact NH1-OH 3.39Å; F211-Y216 HydrophobicContact CD2-CE2 4.18Å; F211-Y216 WeakPolarHBondContact CD2-OH 3.24Å; F211-Y216 HydrophobicContact CE2-CE2 4.11Å; G212-Y216 CarbonylContact C-O 3.48Å; G212-Y216 WeakPolarHBondContact CA-O 3.44Å; N213-Y216 HydrophobicContact CB-CE1 4.36Å; N213-Y216 VanDerWaalsContact CG-CD1 3.45Å; N213-Y216 PolarHBondContact N-O 3.43Å; N213-Y216 WeakPolarHBondContact ND2-CD1 3.47Å; N213-Y216 VanDerWaalsContact ND2-CE1 3.26Å; N213-Y216 WeakPolarHBondContact ND2-CE1 3.41Å; N213-Y216 PolarHBondContact O-N 2.99Å; N213-Y216 WeakPolarHBondContact OD1-CD1 3.35Å; N213-Y216 PolarHBondContact OD1-N 3.28Å; Y216-V218 HydrophobicContact CD2-CG2 4.19Å; Y216-V218 HydrophobicContact CE2-CG2 3.9Å; Y216-F251 AromaticContact CD2-CE2 3.99Å; Y216-F251 HydrophobicContact CD2-CE2 3.99Å; Y216-F252 CarbonylContact C-O 3.6Å; Y216-F252 WeakPolarHBondContact CA-O 3.49Å; Y216-F252 WeakPolarHBondContact CB-O 3.47Å; Y216-E357 HydrophobicContact CE1-CB 4.23Å; Y216-V358 HydrophobicContact CD1-CG2 3.38Å; Y216-V358 HydrophobicContact CE1-CG2 4.19Å; Y216-V358 HydrophobicContact CG-CG2 3.81Å; Y216-M361 HydrophobicContact CD1-CE 4.06Å; Y216-M361 HydrophobicContact CD2-CE 3.43Å; Y216-M361 VanDerWaalsContact CD2-CE 3.43Å; Y216-M361 HydrophobicContact CD2-SD 4.3Å; Y216-M361 HydrophobicContact CE1-CE 3.88Å; Y216-M361 HydrophobicContact CE2-CE 3.23Å; Y216-M361 HydrophobicContact CE2-SD 3.57Å; Y216-M361 VanDerWaalsContact CE2-SD 3.57Å; Y216-M361 HydrophobicContact CG-CE 3.85Å; Y216-M361 VanDerWaalsContact CZ-CE 3.48Å
217S98.1Very high95.4Very high23 Ų2346.2 Ų46.216%0.16127%0.269CS..EExtended strand (participates in β ladder)trans-142145.616671.20000112.5F211 F252F211-S217 WeakPolarHBondContact O-CA 3.49Å; S217-F252 PolarHBondContact N-O 3.29Å; S217-F252 PolarHBondContact O-N 3.07Å
218V98.4Very high95.3Very high0 Ų045.7 Ų45.70%026%0.264CS..EExtended strand (participates in β ladder)trans-118128.5171.7174.50000107.4L185 K210 F211 Y216 F220 Y249 N250 F251 M361L185-V218 HydrophobicContact CD2-CG1 4.45Å; L185-V218 HydrophobicContact CD2-CG2 4.13Å; K210-V218 WeakPolarHBondContact CA-O 3.18Å; F211-V218 HydrophobicContact CD1-CB 4.23Å; F211-V218 HydrophobicContact CD1-CG1 4.41Å; F211-V218 HydrophobicContact CD2-CB 4.19Å; F211-V218 HydrophobicContact CD2-CG2 4.48Å; F211-V218 HydrophobicContact CE1-CB 3.74Å; F211-V218 HydrophobicContact CE1-CG1 3.59Å; F211-V218 HydrophobicContact CE1-CG2 4.5Å; F211-V218 HydrophobicContact CE2-CB 3.68Å; F211-V218 HydrophobicContact CE2-CG1 4.27Å; F211-V218 HydrophobicContact CE2-CG2 3.69Å; F211-V218 HydrophobicContact CG-CB 4.45Å; F211-V218 HydrophobicContact CZ-CB 3.44Å; F211-V218 VanDerWaalsContact CZ-CB 3.44Å; F211-V218 HydrophobicContact CZ-CG1 3.51Å; F211-V218 HydrophobicContact CZ-CG2 3.72Å; F211-V218 PolarHBondContact N-O 3.26Å; F211-V218 PolarHBondContact O-N 2.79Å; Y216-V218 HydrophobicContact CD2-CG2 4.19Å; Y216-V218 HydrophobicContact CE2-CG2 3.9Å; V218-F220 HydrophobicContact CG1-CD2 3.86Å; V218-F220 HydrophobicContact CG1-CE2 3.49Å; V218-F220 VanDerWaalsContact CG1-CE2 3.49Å; V218-F220 HydrophobicContact CG1-CZ 4.26Å; V218-Y249 HydrophobicContact CG1-CD2 3.93Å; V218-Y249 HydrophobicContact CG1-CG 4.23Å; V218-N250 WeakPolarHBondContact CA-O 3.39Å; V218-F251 HydrophobicContact CG2-CD2 3.75Å; V218-F251 HydrophobicContact CG2-CE2 4.18Å; V218-M361 HydrophobicContact CG2-SD 4.48Å
219T98Very high94.8Very high20 Ų2048.7 Ų48.712%0.12327%0.271CS..EExtended strand (participates in β ladder)trans-127.8115.3177.8-50.30000110E208 I209 K210 Y249 N250E208-T219 HydrophobicContact CB-CG2 4.04Å; E208-T219 HydrophobicContact CG-CG2 4.28Å; E208-T219 WeakPolarHBondContact OE2-CG2 3.4Å; I209-T219 WeakPolarHBondContact O-CA 3.21Å; K210-T219 HydrophobicContact CB-CG2 4.41Å; T219-Y249 CarbonylContact O-C 3.54Å; T219-Y249 VanDerWaalsContact O-CA 3.27Å; T219-Y249 WeakPolarHBondContact O-CA 3.21Å; T219-N250 PolarHBondContact N-O 3.15Å; T219-N250 PolarHBondContact O-N 2.94Å
220F97.7Very high94Very high0 Ų052.2 Ų52.20%029%0.289CS..EExtended strand (participates in β ladder)trans-93.6116.9171.7-73.8-85.6000109.1A189 E208 I209 F211 V218 F225 F242 K248 Y249 V263A189-F220 HydrophobicContact CB-CD2 4.18Å; A189-F220 HydrophobicContact CB-CE2 4.1Å; E208-F220 CarbonylContact C-O 3.54Å; E208-F220 VanDerWaalsContact CA-O 3.23Å; E208-F220 WeakPolarHBondContact CA-O 3.49Å; E208-F220 WeakPolarHBondContact CB-O 3.2Å; I209-F220 HydrophobicContact CB-CB 4.35Å; I209-F220 PolarHBondContact N-O 3.36Å; I209-F220 PolarHBondContact O-N 3.01Å; F211-F220 HydrophobicContact CE1-CD2 4.23Å; F211-F220 AromaticContact CE1-CE2 3.89Å; F211-F220 HydrophobicContact CE1-CE2 3.89Å; F211-F220 HydrophobicContact CZ-CE2 4.42Å; V218-F220 HydrophobicContact CG1-CD2 3.86Å; V218-F220 HydrophobicContact CG1-CE2 3.49Å; V218-F220 VanDerWaalsContact CG1-CE2 3.49Å; V218-F220 HydrophobicContact CG1-CZ 4.26Å; F220-F225 HydrophobicContact CB-CD1 4.02Å; F220-F225 HydrophobicContact CB-CE1 4.22Å; F220-F242 HydrophobicContact CD1-CD1 4.19Å; F220-F242 AromaticContact CD1-CE1 3.41Å; F220-F242 HydrophobicContact CD1-CE1 3.41Å; F220-F242 VanDerWaalsContact CD1-CE1 3.41Å; F220-F242 HydrophobicContact CD1-CZ 4.23Å; F220-F242 HydrophobicContact CE1-CD1 4.09Å; F220-F242 AromaticContact CE1-CE1 3.51Å; F220-F242 HydrophobicContact CE1-CE1 3.51Å; F220-F242 HydrophobicContact CE1-CZ 4.2Å; F220-F242 HydrophobicContact CG-CE1 4.01Å; F220-F242 HydrophobicContact CG-CZ 4.5Å; F220-F242 HydrophobicContact CZ-CE1 4.2Å; F220-F242 HydrophobicContact CZ-CZ 4.47Å; F220-K248 VanDerWaalsContact CD1-O 3.3Å; F220-K248 WeakPolarHBondContact CD1-O 3.32Å; F220-Y249 HydrophobicContact CD1-CD1 4.47Å; F220-Y249 HydrophobicContact CD1-CG 4.5Å; F220-Y249 AromaticContact CE1-CD1 3.63Å; F220-Y249 HydrophobicContact CE1-CD1 3.63Å; F220-Y249 AromaticContact CE1-CG 3.94Å; F220-Y249 HydrophobicContact CE1-CG 3.94Å; F220-Y249 AromaticContact CZ-CD1 3.81Å; F220-Y249 HydrophobicContact CZ-CD1 3.81Å; F220-Y249 AromaticContact CZ-CG 3.94Å; F220-Y249 HydrophobicContact CZ-CG 3.94Å; F220-V263 HydrophobicContact CE1-CG2 3.74Å; F220-V263 HydrophobicContact CZ-CG2 4.02Å
221P95.9Very high92.7Very high48 Ų4851 Ų5131%0.31230%0.301SS..EExtended strand (participates in β ladder)trans-73.1154.7173.130.7-32.8000110.6A223 S224 F225P221-A223 PolarHBondContact O-N 3.14Å; P221-S224 WeakPolarHBondContact CG-OG 3.34Å; P221-S224 WeakPolarHBondContact O-CB 3.46Å; P221-S224 PolarHBondContact O-N 2.69Å; P221-F225 WeakPolarHBondContact O-CD1 3.33Å; P221-F225 WeakPolarHBondContact O-CE1 3.05Å
222K94.2Very high91.1Very high73 Ų7355.3 Ų55.332%0.31733%0.326SS..G310 helixtrans-46.7-41.7-178.3-178.555.1153.7-136.40114.1I206 E207 S224 F225I206-K222 VanDerWaalsContact O-CD 3.28Å; I206-K222 WeakPolarHBondContact O-CD 3.42Å; I206-K222 WeakPolarHBondContact O-CE 3.41Å; I206-K222 PolarHBondContact O-NZ 2.87Å; E207-K222 WeakPolarHBondContact O-CA 3.13Å; E207-K222 VanDerWaalsContact O-CB 3.26Å; E207-K222 WeakPolarHBondContact O-CB 3.31Å; E207-K222 PolarHBondContact O-N 3.09Å; K222-S224 PolarHBondContact O-N 2.76Å; K222-F225 HydrophobicContact CD-CE2 4.05Å; K222-F225 HydrophobicContact CD-CZ 4.05Å; K222-F225 PolarHBondContact O-N 3.44Å; K222-F225 VanDerWaalsContact O-O 3.1Å
223A94.1Very high89Confident101 Ų10163.1 Ų63.184%0.83535%0.352SS*.G310 helixtrans-61.4-15-179.900000114.3P221P221-A223 PolarHBondContact O-N 3.14Å
224S95.6Very high87.3Confident4 Ų468.1 Ų68.13%0.02838%0.384CS..G310 helixtrans-91.8-10.5-175.9-57.40000113.9P221 K222 F242 P243 K248P221-S224 WeakPolarHBondContact CG-OG 3.34Å; P221-S224 WeakPolarHBondContact O-CB 3.46Å; P221-S224 PolarHBondContact O-N 2.69Å; K222-S224 PolarHBondContact O-N 2.76Å; S224-F242 WeakPolarHBondContact O-CD1 3.23Å; S224-P243 WeakPolarHBondContact O-CD 3.28Å; S224-K248 WeakPolarHBondContact CB-O 3.39Å; S224-K248 PolarHBondContact OG-N 3.44Å; S224-K248 PolarHBondContact OG-O 2.89Å
225F95.1Very high86Confident10 Ų1070.7 Ų70.74%0.04438%0.383CS..  trans-143.7163.2-175.663.3-93.2000113.1I206 I209 F220 P221 K222 I227 L240 T241 F242I206-F225 HydrophobicContact CG2-CZ 4.11Å; I209-F225 HydrophobicContact CB-CE1 4.34Å; I209-F225 HydrophobicContact CD1-CD1 4.16Å; I209-F225 HydrophobicContact CD1-CD2 3.91Å; I209-F225 HydrophobicContact CD1-CE1 3.8Å; I209-F225 HydrophobicContact CD1-CE2 3.53Å; I209-F225 HydrophobicContact CD1-CG 4.22Å; I209-F225 HydrophobicContact CD1-CZ 3.47Å; I209-F225 VanDerWaalsContact CD1-CZ 3.47Å; I209-F225 HydrophobicContact CG1-CE1 3.86Å; I209-F225 HydrophobicContact CG1-CE2 4.13Å; I209-F225 HydrophobicContact CG1-CZ 3.58Å; F220-F225 HydrophobicContact CB-CD1 4.02Å; F220-F225 HydrophobicContact CB-CE1 4.22Å; P221-F225 WeakPolarHBondContact O-CD1 3.33Å; P221-F225 WeakPolarHBondContact O-CE1 3.05Å; K222-F225 HydrophobicContact CD-CE2 4.05Å; K222-F225 HydrophobicContact CD-CZ 4.05Å; K222-F225 PolarHBondContact O-N 3.44Å; K222-F225 VanDerWaalsContact O-O 3.1Å; F225-I227 HydrophobicContact CD2-CG1 4.17Å; F225-I227 HydrophobicContact CE2-CD1 4.23Å; F225-I227 HydrophobicContact CE2-CG1 4.1Å; F225-L240 HydrophobicContact CB-CD2 4.07Å; F225-L240 HydrophobicContact CD2-CD2 3.4Å; F225-L240 HydrophobicContact CE2-CD2 4.03Å; F225-L240 HydrophobicContact CG-CD2 3.87Å; F225-T241 CarbonylContact C-O 3.5Å; F225-T241 VanDerWaalsContact CA-O 3.32Å; F225-T241 WeakPolarHBondContact CA-O 3.41Å; F225-F242 HydrophobicContact CB-CD1 4.01Å; F225-F242 HydrophobicContact CB-CE1 3.68Å; F225-F242 HydrophobicContact CB-CZ 4.07Å
226S94.2Very high84.7Confident73 Ų7375.5 Ų75.551%0.5141%0.412SS..EExtended strand (participates in β ladder)trans-127.9148.1165.5-50.30000109.2L240 T241S226-L240 WeakPolarHBondContact O-CA 3.45Å; S226-T241 PolarHBondContact N-O 3.18Å; S226-T241 PolarHBondContact O-N 3.25Å; S226-T241 PolarHBondContact O-OG1 3.06Å
227I91.7Very high83.7Confident42 Ų4277 Ų7722%0.21543%0.426CS..EExtended strand (participates in β ladder)trans-97.6132.1-180-61171.1000108.3L193 E203 I206 F225 L238 L240L193-I227 HydrophobicContact CD1-CD1 3.94Å; L193-I227 HydrophobicContact CD2-CD1 4.46Å; L193-I227 HydrophobicContact CD2-CG1 4.21Å; L193-I227 HydrophobicContact CD2-CG2 4.25Å; E203-I227 HydrophobicContact CB-CD1 4.36Å; I206-I227 HydrophobicContact CD1-CD1 4.21Å; F225-I227 HydrophobicContact CD2-CG1 4.17Å; F225-I227 HydrophobicContact CE2-CD1 4.23Å; F225-I227 HydrophobicContact CE2-CG1 4.1Å; I227-L238 HydrophobicContact CG2-CB 4.15Å; I227-L238 HydrophobicContact CG2-CD1 4.2Å; I227-L238 HydrophobicContact CG2-CD2 4.06Å; I227-L238 HydrophobicContact CG2-CG 4.37Å; I227-L240 HydrophobicContact CG1-CD2 4.03Å
228K88.2Confident83.1Confident124 Ų12476.4 Ų76.454%0.53942%0.421SS..EExtended strand (participates in β ladder)trans-119.8134.5170.8-67.1-171.5-178.8179.90109.6A239 T241K228-A239 PolarHBondContact N-O 2.67Å; K228-A239 PolarHBondContact O-N 2.83Å; K228-T241 HydrophobicContact CD-CG2 3.66Å; K228-T241 HydrophobicContact CG-CG2 4.13Å
229R83.1Confident82.6Confident164 Ų16477.4 Ų77.462%0.61943%0.429SS*.EExtended strand (participates in β ladder)trans-78.2124.5168.8-68.1-176.6177.4-157.62.5108.9E203 V236 L238E203-R229 IonicContact OE1-CZ 3.17Å; E203-R229 IonicContact OE1-NE 3.55Å; E203-R229 PolarHBondContact OE1-NE 3.08Å; E203-R229 IonicContact OE1-NH2 3.54Å; E203-R229 PolarHBondContact OE1-NH2 3.05Å; E203-R229 IonicContact OE2-NE 2.65Å; R229-V236 HydrophobicContact CB-CG1 4.41Å; R229-V236 HydrophobicContact CG-CG1 4.38Å; R229-L238 HydrophobicContact CB-CD2 4.43Å; R229-L238 HydrophobicContact CG-CD2 3.6Å
230I79.8Confident82.3Confident81 Ų8177.2 Ų77.242%0.41543%0.427SS..EExtended strand (participates in β ladder)trans-106.9115.5171-53.8-172.9000107.1N232 A237 A239I230-N232 PolarHBondContact O-N 3.49Å; I230-A237 PolarHBondContact N-O 3.46Å; I230-A237 PolarHBondContact O-N 2.9Å; I230-A237 VanDerWaalsContact O-N 3.08Å; I230-A239 HydrophobicContact CD1-CB 3.31Å; I230-A239 HydrophobicContact CG1-CB 3.8Å
231A69Low82.1Confident94 Ų9479.5 Ų79.578%0.77744%0.441SS*.EExtended strand (participates in β ladder)trans-75.5106.1169.300000108.2
232N63.4Low82.1Confident115 Ų11578.9 Ų78.962%0.61543%0.434SS*.EExtended strand (participates in β ladder)trans-100149.7161.1-106.3-7.9000108.7I230 T234 K235I230-N232 PolarHBondContact O-N 3.49Å; N232-T234 PolarHBondContact O-N 3.49Å; N232-K235 PolarHBondContact N-O 3.35Å; N232-K235 PolarHBondContact O-N 3.37Å; N232-K235 VanDerWaalsContact O-N 3.1Å
233Q52.2Low82.3Confident202 Ų20278.4 Ų78.494%0.94444%0.438SS*.THydrogen-bonded Turntrans-48.1-18.4-166.2-69176.2-13.600116.3
234T60Low82.4Confident137 Ų13778.3 Ų78.384%0.8442%0.423SS*.THydrogen-bonded Turntrans-132.7-6.9-178.952.30000115.6N232N232-T234 PolarHBondContact O-N 3.49Å
235K65Low82.5Confident165 Ų16580.2 Ų80.272%0.71743%0.431SS*.EExtended strand (participates in β ladder)trans-151.8139.4178.8-74.6-173.3177.9175.90111.7N232 A237N232-K235 PolarHBondContact N-O 3.35Å; N232-K235 PolarHBondContact O-N 3.37Å; N232-K235 VanDerWaalsContact O-N 3.1Å; K235-A237 PolarHBondContact O-N 3.3Å
236V67.5Low82.6Confident104 Ų10481 Ų8163%0.6344%0.442SS*.EExtended strand (participates in β ladder)trans-74.1108.5164.9-178.40000107.2R229R229-V236 HydrophobicContact CB-CG1 4.41Å; R229-V236 HydrophobicContact CG-CG1 4.38Å
237A76.7Confident82.7Confident36 Ų3677.6 Ų77.630%0.29842%0.418SS..EExtended strand (participates in β ladder)trans-101.4142.3174.100000109.2I230 K235I230-A237 PolarHBondContact N-O 3.46Å; I230-A237 PolarHBondContact O-N 2.9Å; I230-A237 VanDerWaalsContact O-N 3.08Å; K235-A237 PolarHBondContact O-N 3.3Å
238L85.4Confident83Confident11 Ų1178.6 Ų78.66%0.05842%0.421CS..EExtended strand (participates in β ladder)trans-94.6138.8172.4-58.3-178.2000109.6T190 L193 N194 V197 E203 I227 R229T190-L238 WeakPolarHBondContact CG2-O 3.33Å; L193-L238 HydrophobicContact CD1-CD1 4.3Å; L193-L238 HydrophobicContact CD2-CB 3.58Å; L193-L238 HydrophobicContact CD2-CD1 4.29Å; L193-L238 HydrophobicContact CG-CB 4.13Å; L193-L238 HydrophobicContact CG-CD1 4.23Å; N194-L238 PolarHBondContact ND2-O 2.85Å; N194-L238 VanDerWaalsContact ND2-O 3.12Å; N194-L238 PolarHBondContact OD1-N 2.87Å; V197-L238 HydrophobicContact CB-CD1 4.16Å; V197-L238 HydrophobicContact CG1-CD1 4.17Å; V197-L238 HydrophobicContact CG2-CD1 3.58Å; E203-L238 HydrophobicContact CB-CD1 4.05Å; E203-L238 WeakPolarHBondContact OE2-CD2 3.39Å; I227-L238 HydrophobicContact CG2-CB 4.15Å; I227-L238 HydrophobicContact CG2-CD1 4.2Å; I227-L238 HydrophobicContact CG2-CD2 4.06Å; I227-L238 HydrophobicContact CG2-CG 4.37Å; R229-L238 HydrophobicContact CB-CD2 4.43Å; R229-L238 HydrophobicContact CG-CD2 3.6Å
239A87.2Confident83.4Confident21 Ų2172.8 Ų72.817%0.17440%0.396CS..EExtended strand (participates in β ladder)trans-124.5147.9173.400000110.7K228 I230K228-A239 PolarHBondContact N-O 2.67Å; K228-A239 PolarHBondContact O-N 2.83Å; I230-A239 HydrophobicContact CD1-CB 3.31Å; I230-A239 HydrophobicContact CG1-CB 3.8Å
240L92.6Very high84.1Confident16 Ų1667.4 Ų67.48%0.08438%0.379CS..EExtended strand (participates in β ladder)trans-95139.6176-66.8166.4000110.6A189 L193 I209 F225 S226 I227 F242A189-L240 HydrophobicContact CB-CD1 3.59Å; L193-L240 HydrophobicContact CD2-CD2 3.82Å; L193-L240 HydrophobicContact CD2-CG 3.89Å; I209-L240 HydrophobicContact CD1-CD1 3.51Å; I209-L240 HydrophobicContact CD1-CD2 3.35Å; I209-L240 HydrophobicContact CD1-CG 4.01Å; F225-L240 HydrophobicContact CB-CD2 4.07Å; F225-L240 HydrophobicContact CD2-CD2 3.4Å; F225-L240 HydrophobicContact CE2-CD2 4.03Å; F225-L240 HydrophobicContact CG-CD2 3.87Å; S226-L240 WeakPolarHBondContact O-CA 3.45Å; I227-L240 HydrophobicContact CG1-CD2 4.03Å; L240-F242 HydrophobicContact CB-CD2 4.29Å; L240-F242 HydrophobicContact CB-CE2 3.46Å; L240-F242 VanDerWaalsContact CB-CE2 3.46Å; L240-F242 HydrophobicContact CB-CZ 3.93Å; L240-F242 HydrophobicContact CD1-CE2 4.21Å; L240-F242 HydrophobicContact CD1-CZ 3.97Å; L240-F242 HydrophobicContact CG-CE2 4.43Å; L240-F242 HydrophobicContact CG-CZ 4.48Å
241T93.9Very high85Confident48 Ų4863.8 Ų63.829%0.29436%0.361SS..EExtended strand (participates in β ladder)trans-117.7137.6165.856.60000109.8F225 S226 K228F225-T241 CarbonylContact C-O 3.5Å; F225-T241 VanDerWaalsContact CA-O 3.32Å; F225-T241 WeakPolarHBondContact CA-O 3.41Å; S226-T241 PolarHBondContact N-O 3.18Å; S226-T241 PolarHBondContact O-N 3.25Å; S226-T241 PolarHBondContact O-OG1 3.06Å; K228-T241 HydrophobicContact CD-CG2 3.66Å; K228-T241 HydrophobicContact CG-CG2 4.13Å
242F96.4Very high86.3Confident36 Ų3662.6 Ų62.616%0.15834%0.338CS..  trans-118.4147.1-178.5-65-92.8000109.5L186 A189 F220 S224 F225 L240 A247L186-F242 HydrophobicContact CD1-CD2 3.86Å; L186-F242 HydrophobicContact CD1-CE2 3.86Å; L186-F242 HydrophobicContact CD1-CG 4.46Å; L186-F242 HydrophobicContact CD1-CZ 4.46Å; L186-F242 HydrophobicContact CD2-CD2 4.05Å; L186-F242 HydrophobicContact CD2-CE2 4.41Å; L186-F242 HydrophobicContact CG-CD2 3.72Å; L186-F242 HydrophobicContact CG-CE2 3.62Å; A189-F242 HydrophobicContact CB-CZ 4.41Å; F220-F242 HydrophobicContact CD1-CD1 4.19Å; F220-F242 AromaticContact CD1-CE1 3.41Å; F220-F242 HydrophobicContact CD1-CE1 3.41Å; F220-F242 VanDerWaalsContact CD1-CE1 3.41Å; F220-F242 HydrophobicContact CD1-CZ 4.23Å; F220-F242 HydrophobicContact CE1-CD1 4.09Å; F220-F242 AromaticContact CE1-CE1 3.51Å; F220-F242 HydrophobicContact CE1-CE1 3.51Å; F220-F242 HydrophobicContact CE1-CZ 4.2Å; F220-F242 HydrophobicContact CG-CE1 4.01Å; F220-F242 HydrophobicContact CG-CZ 4.5Å; F220-F242 HydrophobicContact CZ-CE1 4.2Å; F220-F242 HydrophobicContact CZ-CZ 4.47Å; S224-F242 WeakPolarHBondContact O-CD1 3.23Å; F225-F242 HydrophobicContact CB-CD1 4.01Å; F225-F242 HydrophobicContact CB-CE1 3.68Å; F225-F242 HydrophobicContact CB-CZ 4.07Å; L240-F242 HydrophobicContact CB-CD2 4.29Å; L240-F242 HydrophobicContact CB-CE2 3.46Å; L240-F242 VanDerWaalsContact CB-CE2 3.46Å; L240-F242 HydrophobicContact CB-CZ 3.93Å; L240-F242 HydrophobicContact CD1-CE2 4.21Å; L240-F242 HydrophobicContact CD1-CZ 3.97Å; L240-F242 HydrophobicContact CG-CE2 4.43Å; L240-F242 HydrophobicContact CG-CZ 4.48Å; F242-A247 HydrophobicContact CB-CB 4Å; F242-A247 HydrophobicContact CD1-CB 4.27Å
243P96.7Very high87.8Confident62 Ų6257.4 Ų57.440%0.40331%0.31SS..  trans-65.8155.4170.930.7-34.8000110.5S224 F245 A247S224-P243 WeakPolarHBondContact O-CD 3.28Å; P243-F245 VanDerWaalsContact C-N 3.26Å; P243-F245 WeakPolarHBondContact CB-O 3.44Å; P243-F245 WeakPolarHBondContact CG-O 3.38Å; P243-F245 PolarHBondContact O-N 2.77Å; P243-A247 HydrophobicContact CG-CB 4.04Å; P243-A247 WeakPolarHBondContact O-CB 3.5Å
244L97.5Very high89.6Confident99 Ų9950.9 Ų50.952%0.51828%0.282SS..SBendtrans-67.6-27.3-179.6-70.7177.8000113.3Y265 L268L244-Y265 HydrophobicContact CD2-CD1 4.34Å; L244-L268 HydrophobicContact CB-CD2 3.82Å; L244-L268 HydrophobicContact CD1-CD1 4.46Å; L244-L268 HydrophobicContact CD2-CD2 4.16Å; L244-L268 HydrophobicContact CG-CD2 4.46Å; L244-L268 VanDerWaalsContact O-CD2 3.24Å; L244-L268 WeakPolarHBondContact O-CD2 3.32Å
245F97.6Very high90.8Very high44 Ų4446.3 Ų46.319%0.19326%0.262CS..SBendtrans-133.3152.7174.7-55.7-82.4000108.6F152 I155 A158 P243 A247 L268 L272F152-F245 HydrophobicContact CD1-CD1 4.2Å; F152-F245 HydrophobicContact CD1-CE1 4.25Å; F152-F245 HydrophobicContact CE1-CE1 4.36Å; I155-F245 HydrophobicContact CB-CD1 4.29Å; I155-F245 HydrophobicContact CB-CD2 3.96Å; I155-F245 HydrophobicContact CB-CE1 4.01Å; I155-F245 HydrophobicContact CB-CE2 3.67Å; I155-F245 HydrophobicContact CB-CG 4.26Å; I155-F245 HydrophobicContact CB-CZ 3.68Å; I155-F245 HydrophobicContact CD1-CE2 3.91Å; I155-F245 HydrophobicContact CD1-CZ 3.97Å; I155-F245 HydrophobicContact CG1-CE1 4.19Å; I155-F245 HydrophobicContact CG1-CE2 3.87Å; I155-F245 HydrophobicContact CG1-CZ 3.59Å; A158-F245 HydrophobicContact CB-CD1 4.39Å; A158-F245 HydrophobicContact CB-CE1 3.9Å; P243-F245 VanDerWaalsContact C-N 3.26Å; P243-F245 WeakPolarHBondContact CB-O 3.44Å; P243-F245 WeakPolarHBondContact CG-O 3.38Å; P243-F245 PolarHBondContact O-N 2.77Å; F245-A247 PolarHBondContact O-N 3.43Å; F245-L268 HydrophobicContact CE1-CD2 4.01Å; F245-L268 HydrophobicContact CE2-CD2 4.27Å; F245-L268 HydrophobicContact CZ-CD1 4.12Å; F245-L268 HydrophobicContact CZ-CD2 3.87Å; F245-L268 HydrophobicContact CZ-CG 4.35Å; F245-L272 HydrophobicContact CE1-CD1 3.85Å; F245-L272 HydrophobicContact CZ-CD1 3.82Å
246G96.3Very high91.9Very high27 Ų2741.4 Ų41.428%0.27825%0.246SC..  trans72.811.3178.500000114.2F152 E153 K248F152-G246 PolarHBondContact O-N 3.45Å; E153-G246 VanDerWaalsContact O-CA 3.29Å; E153-G246 WeakPolarHBondContact O-CA 3.08Å; E153-G246 PolarHBondContact O-N 3.06Å; E153-G246 VanDerWaalsContact O-N 3.09Å; G246-K248 PolarHBondContact O-N 3.24Å
247A97.1Very high93Very high1 Ų137 Ų371%0.00822%0.219CC..  trans-69.776.9170.300000110.1F242 P243 F245 F262 V263F242-A247 HydrophobicContact CB-CB 4Å; F242-A247 HydrophobicContact CD1-CB 4.27Å; P243-A247 HydrophobicContact CG-CB 4.04Å; P243-A247 WeakPolarHBondContact O-CB 3.5Å; F245-A247 PolarHBondContact O-N 3.43Å; A247-F262 WeakPolarHBondContact O-CA 3.2Å; A247-V263 HydrophobicContact CB-CB 3.9Å; A247-V263 HydrophobicContact CB-CG2 4.05Å; A247-V263 PolarHBondContact O-N 3.09Å
248K97.3Very high93.9Very high64 Ų6439.1 Ų39.128%0.27823%0.225SC..EExtended strand (participates in β ladder)trans-74.7142.8-171.9-178.7177.3171.91720111.4N6 F220 S224 G246 P260 E261 F262N6-K248 WeakPolarHBondContact OD1-CE 3.38Å; N6-K248 PolarHBondContact OD1-NZ 3.01Å; F220-K248 VanDerWaalsContact CD1-O 3.3Å; F220-K248 WeakPolarHBondContact CD1-O 3.32Å; S224-K248 WeakPolarHBondContact CB-O 3.39Å; S224-K248 PolarHBondContact OG-N 3.44Å; S224-K248 PolarHBondContact OG-O 2.89Å; G246-K248 PolarHBondContact O-N 3.24Å; K248-P260 HydrophobicContact CD-CB 4.44Å; K248-P260 VanDerWaalsContact CE-CB 3.5Å; K248-P260 HydrophobicContact CG-CB 4.47Å; K248-E261 CarbonylContact C-O 3.59Å; K248-E261 WeakPolarHBondContact CA-O 3.49Å; K248-F262 HydrophobicContact CB-CD1 4.08Å; K248-F262 HydrophobicContact CB-CE1 3.87Å; K248-F262 HydrophobicContact CG-CE1 4.24Å
249Y97.8Very high94.3Very high1 Ų138.7 Ų38.70%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-141.6151161.554-80.6000109.7P180 L185 V218 T219 F220 F251 P260 E261 F262 V263P180-Y249 WeakPolarHBondContact CB-OH 3.26Å; P180-Y249 VanDerWaalsContact CG-OH 3.31Å; P180-Y249 WeakPolarHBondContact CG-OH 3.45Å; L185-Y249 HydrophobicContact CD1-CE1 3.98Å; L185-Y249 HydrophobicContact CD1-CE2 4.33Å; V218-Y249 HydrophobicContact CG1-CD2 3.93Å; V218-Y249 HydrophobicContact CG1-CG 4.23Å; T219-Y249 CarbonylContact O-C 3.54Å; T219-Y249 VanDerWaalsContact O-CA 3.27Å; T219-Y249 WeakPolarHBondContact O-CA 3.21Å; F220-Y249 HydrophobicContact CD1-CD1 4.47Å; F220-Y249 HydrophobicContact CD1-CG 4.5Å; F220-Y249 AromaticContact CE1-CD1 3.63Å; F220-Y249 HydrophobicContact CE1-CD1 3.63Å; F220-Y249 AromaticContact CE1-CG 3.94Å; F220-Y249 HydrophobicContact CE1-CG 3.94Å; F220-Y249 AromaticContact CZ-CD1 3.81Å; F220-Y249 HydrophobicContact CZ-CD1 3.81Å; F220-Y249 AromaticContact CZ-CG 3.94Å; F220-Y249 HydrophobicContact CZ-CG 3.94Å; Y249-F251 HydrophobicContact CD2-CB 4.15Å; Y249-F251 HydrophobicContact CE2-CB 4.05Å; Y249-P260 CarbonylContact O-C 3.59Å; Y249-P260 WeakPolarHBondContact O-CA 3.33Å; Y249-E261 HydrophobicContact CD2-CB 4.09Å; Y249-E261 HydrophobicContact CE1-CB 4.04Å; Y249-E261 HydrophobicContact CE2-CB 3.54Å; Y249-E261 HydrophobicContact CE2-CG 4.31Å; Y249-E261 WeakPolarHBondContact CE2-OE2 3.35Å; Y249-E261 VanDerWaalsContact CZ-CB 3.49Å; Y249-E261 PolarHBondContact N-O 3.35Å; Y249-E261 PolarHBondContact O-N 2.98Å; Y249-E261 PolarHBondContact OH-OE2 2.9Å; Y249-E261 VanDerWaalsContact OH-OE2 3.13Å; Y249-F262 VanDerWaalsContact CE1-C 3.42Å; Y249-V263 HydrophobicContact CD1-CG2 3.88Å; Y249-V263 HydrophobicContact CE1-CG2 3.76Å
250N97.4Very high94.7Very high52 Ų5238 Ų3828%0.27822%0.217SC..EExtended strand (participates in β ladder)trans-86.5126.2165.5-167.770.7000108.9V218 T219 N258 C259V218-N250 WeakPolarHBondContact CA-O 3.39Å; T219-N250 PolarHBondContact N-O 3.15Å; T219-N250 PolarHBondContact O-N 2.94Å; N250-N258 PolarHBondContact ND2-OD1 3.37Å; N250-C259 PolarHBondContact OD1-O 3.48Å
251F97.7Very high94.9Very high5 Ų537.5 Ų37.52%0.02221%0.214CC..EExtended strand (participates in β ladder)trans-107.3122.3172.9-175-110.1000109.8Y216 V218 Y249 L253 V257 N258 C259 E261 M361 Y362Y216-F251 AromaticContact CD2-CE2 3.99Å; Y216-F251 HydrophobicContact CD2-CE2 3.99Å; V218-F251 HydrophobicContact CG2-CD2 3.75Å; V218-F251 HydrophobicContact CG2-CE2 4.18Å; Y249-F251 HydrophobicContact CD2-CB 4.15Å; Y249-F251 HydrophobicContact CE2-CB 4.05Å; F251-L253 HydrophobicContact CE1-CB 3.71Å; F251-L253 HydrophobicContact CE1-CD2 4.42Å; F251-L253 HydrophobicContact CZ-CB 3.98Å; F251-V257 HydrophobicContact CD1-CG1 3.44Å; F251-V257 VanDerWaalsContact CD1-CG1 3.44Å; F251-V257 HydrophobicContact CE1-CG1 3.55Å; F251-N258 VanDerWaalsContact O-CA 3.3Å; F251-N258 WeakPolarHBondContact O-CA 3.48Å; F251-C259 PolarHBondContact N-O 3.47Å; F251-C259 PolarHBondContact O-N 3.41Å; F251-E261 HydrophobicContact CB-CG 4.19Å; F251-E261 WeakPolarHBondContact CD1-OE1 3.5Å; F251-M361 HydrophobicContact CE2-CE 3.99Å; F251-M361 HydrophobicContact CZ-CE 4.5Å; F251-Y362 VanDerWaalsContact CE1-OH 3.31Å; F251-Y362 WeakPolarHBondContact CE1-OH 3.25Å; F251-Y362 VanDerWaalsContact CZ-OH 3.26Å; F251-Y362 WeakPolarHBondContact CZ-OH 3.46Å
252F97.2Very high95.1Very high68 Ų6835.5 Ų35.530%0.29820%0.201SC..EExtended strand (participates in β ladder)trans-114.5130.5171.7170.7-95.8000109.2Y216 S217 D254 V257 N258Y216-F252 CarbonylContact C-O 3.6Å; Y216-F252 WeakPolarHBondContact CA-O 3.49Å; Y216-F252 WeakPolarHBondContact CB-O 3.47Å; S217-F252 PolarHBondContact N-O 3.29Å; S217-F252 PolarHBondContact O-N 3.07Å; F252-D254 HydrophobicContact CE1-CB 4.46Å; F252-D254 HydrophobicContact CZ-CB 4.4Å; F252-V257 CarbonylContact C-O 3.59Å; F252-V257 WeakPolarHBondContact CA-O 3.2Å; F252-N258 HydrophobicContact CD2-CB 3.94Å
253L95.2Very high95.2Very high6 Ų634.4 Ų34.43%0.03120%0.197CC..EExtended strand (participates in β ladder)trans-136.7125.1169.117664.9000108.5I34 L37 F251 G255 V256 V257 V358I34-L253 HydrophobicContact CD1-CG 4.37Å; L37-L253 HydrophobicContact CD2-CD1 3.95Å; L37-L253 HydrophobicContact CD2-CD2 4.48Å; F251-L253 HydrophobicContact CE1-CB 3.71Å; F251-L253 HydrophobicContact CE1-CD2 4.42Å; F251-L253 HydrophobicContact CZ-CB 3.98Å; L253-G255 PolarHBondContact O-N 3.26Å; L253-V256 HydrophobicContact CB-CB 4.3Å; L253-V256 HydrophobicContact CD2-CB 3.93Å; L253-V256 HydrophobicContact CD2-CG1 4.23Å; L253-V256 HydrophobicContact CD2-CG2 3.91Å; L253-V256 HydrophobicContact CG-CB 4.06Å; L253-V256 HydrophobicContact CG-CG2 4.09Å; L253-V256 PolarHBondContact O-N 2.92Å; L253-V257 HydrophobicContact CB-CG1 3.89Å; L253-V257 PolarHBondContact N-O 3.47Å; L253-V257 PolarHBondContact O-N 2.75Å; L253-V257 VanDerWaalsContact O-N 3.15Å; L253-V358 HydrophobicContact CD1-CG1 4.14Å; L253-V358 HydrophobicContact CD1-CG2 4.07Å; L253-V358 HydrophobicContact CD2-CG1 4.38Å
254D89.7Confident95.3Very high66 Ų6631.5 Ų31.535%0.35318%0.179SC..THydrogen-bonded Turntrans-50.7123.5-170-174.621.6000113I34 V215 F252 V256I34-D254 WeakPolarHBondContact CD1-O 3.36Å; V215-D254 PolarHBondContact O-N 3.36Å; F252-D254 HydrophobicContact CE1-CB 4.46Å; F252-D254 HydrophobicContact CZ-CB 4.4Å; D254-V256 PolarHBondContact O-N 3.3Å
255G85Confident95.3Very high41 Ų4131.4 Ų31.442%0.42317%0.172SC..THydrogen-bonded Turntrans62.73.9-17800000116.8R38 L253R38-G255 PolarHBondContact NH2-O 3.47Å; L253-G255 PolarHBondContact O-N 3.26Å
256V87.8Confident95.3Very high62 Ų6229.5 Ų29.538%0.37616%0.164SC..THydrogen-bonded Turntrans-111.1-57.6-178.2-177.70000111.8F13 I34 L253 D254F13-V256 WeakPolarHBondContact CZ-O 3.43Å; I34-V256 HydrophobicContact CD1-CG2 3.35Å; L253-V256 HydrophobicContact CB-CB 4.3Å; L253-V256 HydrophobicContact CD2-CB 3.93Å; L253-V256 HydrophobicContact CD2-CG1 4.23Å; L253-V256 HydrophobicContact CD2-CG2 3.91Å; L253-V256 HydrophobicContact CG-CB 4.06Å; L253-V256 HydrophobicContact CG-CG2 4.09Å; L253-V256 PolarHBondContact O-N 2.92Å; D254-V256 PolarHBondContact O-N 3.3Å
257V91.6Very high95.4Very high12 Ų1230.9 Ų30.97%0.07317%0.168CC..EExtended strand (participates in β ladder)trans-150.4142.9-169.859.30000110.8F13 F251 F252 L253 C259F13-V257 HydrophobicContact CE1-CB 4.42Å; F13-V257 HydrophobicContact CE1-CG2 4.31Å; F13-V257 VanDerWaalsContact CZ-CA 3.47Å; F13-V257 HydrophobicContact CZ-CB 4.46Å; F251-V257 HydrophobicContact CD1-CG1 3.44Å; F251-V257 VanDerWaalsContact CD1-CG1 3.44Å; F251-V257 HydrophobicContact CE1-CG1 3.55Å; F252-V257 CarbonylContact C-O 3.59Å; F252-V257 WeakPolarHBondContact CA-O 3.2Å; L253-V257 HydrophobicContact CB-CG1 3.89Å; L253-V257 PolarHBondContact N-O 3.47Å; L253-V257 PolarHBondContact O-N 2.75Å; L253-V257 VanDerWaalsContact O-N 3.15Å; V257-C259 HydrophobicContact CG2-CB 3.78Å
258N93.8Very high95.4Very high80 Ų8031.8 Ų31.843%0.42817%0.173SC..EExtended strand (participates in β ladder)trans-144.183.7166-172.612.6000107.6F13 N250 F251 F252F13-N258 HydrophobicContact CE2-CB 4.22Å; N250-N258 PolarHBondContact ND2-OD1 3.37Å; F251-N258 VanDerWaalsContact O-CA 3.3Å; F251-N258 WeakPolarHBondContact O-CA 3.48Å; F252-N258 HydrophobicContact CD2-CB 3.94Å
259C94.1Very high95.5Very high1 Ų128.7 Ų28.71%0.00716%0.16CC..EExtended strand (participates in β ladder)trans-140.8153.7-170.2-75.10000112.5F13 Y150 N250 F251 V257F13-C259 VanDerWaalsContact CB-SG 3.5Å; F13-C259 WeakPolarHBondContact CD1-SG 3.26Å; F13-C259 WeakPolarHBondContact CG-SG 3.37Å; Y150-C259 HydrophobicContact CE1-CB 4.34Å; N250-C259 PolarHBondContact OD1-O 3.48Å; F251-C259 PolarHBondContact N-O 3.47Å; F251-C259 PolarHBondContact O-N 3.41Å; V257-C259 HydrophobicContact CG2-CB 3.78Å
260P95.5Very high95.5Very high8 Ų830.6 Ų30.65%0.05217%0.17CC..EExtended strand (participates in β ladder)trans-69.4132.7164.931.5-34.7000111N6 D9 V10 Y150 K248 Y249N6-P260 HydrophobicContact CB-CB 4.44Å; N6-P260 HydrophobicContact CB-CG 4.01Å; D9-P260 HydrophobicContact CB-CG 4.17Å; V10-P260 HydrophobicContact CG2-CG 4.3Å; Y150-P260 WeakPolarHBondContact CD1-O 3.44Å; Y150-P260 WeakPolarHBondContact CE1-O 3.5Å; K248-P260 HydrophobicContact CD-CB 4.44Å; K248-P260 VanDerWaalsContact CE-CB 3.5Å; K248-P260 HydrophobicContact CG-CB 4.47Å; Y249-P260 CarbonylContact O-C 3.59Å; Y249-P260 WeakPolarHBondContact O-CA 3.33Å
261E97.4Very high95.5Very high5 Ų537.4 Ų37.42%0.02319%0.191CC..EExtended strand (participates in β ladder)trans-127.8170.6176.5-66.3-175.1-167.300110.1H149 Y150 K248 Y249 F251H149-E261 IonicContact CD2-OE2 2.86Å; H149-E261 IonicContact NE2-OE1 3.56Å; H149-E261 IonicContact NE2-OE2 3.41Å; Y150-E261 HydrophobicContact CD1-CG 4.31Å; Y150-E261 HydrophobicContact CE1-CG 3.6Å; K248-E261 CarbonylContact C-O 3.59Å; K248-E261 WeakPolarHBondContact CA-O 3.49Å; Y249-E261 HydrophobicContact CD2-CB 4.09Å; Y249-E261 HydrophobicContact CE1-CB 4.04Å; Y249-E261 HydrophobicContact CE2-CB 3.54Å; Y249-E261 HydrophobicContact CE2-CG 4.31Å; Y249-E261 WeakPolarHBondContact CE2-OE2 3.35Å; Y249-E261 VanDerWaalsContact CZ-CB 3.49Å; Y249-E261 PolarHBondContact N-O 3.35Å; Y249-E261 PolarHBondContact O-N 2.98Å; Y249-E261 PolarHBondContact OH-OE2 2.9Å; Y249-E261 VanDerWaalsContact OH-OE2 3.13Å; F251-E261 HydrophobicContact CB-CG 4.19Å; F251-E261 WeakPolarHBondContact CD1-OE1 3.5Å
262F98Very high95.6Very high6 Ų637.5 Ų37.53%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-128.3146178.4-54.9-86.4000112N6 H149 F152 E153 A247 K248 Y249 V264N6-F262 HydrophobicContact CB-CE2 4.44Å; N6-F262 HydrophobicContact CB-CZ 4.09Å; N6-F262 WeakPolarHBondContact ND2-CZ 3.38Å; H149-F262 WeakPolarHBondContact CB-O 3.44Å; H149-F262 WeakPolarHBondContact O-CB 3.46Å; H149-F262 WeakPolarHBondContact O-CD2 3.47Å; F152-F262 HydrophobicContact CB-CB 3.86Å; E153-F262 HydrophobicContact CB-CD1 4.33Å; E153-F262 HydrophobicContact CB-CD2 4Å; E153-F262 HydrophobicContact CB-CE1 3.83Å; E153-F262 HydrophobicContact CB-CE2 3.48Å; E153-F262 VanDerWaalsContact CB-CE2 3.48Å; E153-F262 HydrophobicContact CB-CG 4.39Å; E153-F262 HydrophobicContact CB-CZ 3.37Å; E153-F262 HydrophobicContact CG-CE1 3.92Å; E153-F262 HydrophobicContact CG-CE2 4.14Å; E153-F262 HydrophobicContact CG-CZ 3.52Å; A247-F262 WeakPolarHBondContact O-CA 3.2Å; K248-F262 HydrophobicContact CB-CD1 4.08Å; K248-F262 HydrophobicContact CB-CE1 3.87Å; K248-F262 HydrophobicContact CG-CE1 4.24Å; Y249-F262 VanDerWaalsContact CE1-C 3.42Å; F262-V264 PolarHBondContact O-N 3.49Å
263V98.3Very high95.6Very high12 Ų1234.2 Ų34.27%0.07318%0.178CC..  trans-69.6127.1178.9178.40000109.4A182 L186 F220 A247 Y249A182-V263 HydrophobicContact CB-CG1 3.66Å; L186-V263 HydrophobicContact CD1-CG1 4Å; L186-V263 HydrophobicContact CD1-CG2 4.37Å; F220-V263 HydrophobicContact CE1-CG2 3.74Å; F220-V263 HydrophobicContact CZ-CG2 4.02Å; A247-V263 HydrophobicContact CB-CB 3.9Å; A247-V263 HydrophobicContact CB-CG2 4.05Å; A247-V263 PolarHBondContact O-N 3.09Å; Y249-V263 HydrophobicContact CD1-CG2 3.88Å; Y249-V263 HydrophobicContact CE1-CG2 3.76Å
264V98.3Very high95.7Very high2 Ų236.2 Ų36.21%0.01220%0.195CC..  trans-103.799.7174.9-176.50000109H149 F152 I179 A182 F262 P266 L269H149-V264 VanDerWaalsContact CA-CG2 3.48Å; H149-V264 HydrophobicContact CB-CG2 3.58Å; F152-V264 HydrophobicContact CB-CG2 4.26Å; F152-V264 HydrophobicContact CD1-CG1 4.44Å; F152-V264 HydrophobicContact CD1-CG2 4.39Å; F152-V264 HydrophobicContact CD2-CG1 4.33Å; F152-V264 HydrophobicContact CD2-CG2 3.73Å; F152-V264 HydrophobicContact CE1-CG1 4.09Å; F152-V264 HydrophobicContact CE2-CG1 3.98Å; F152-V264 HydrophobicContact CE2-CG2 4.17Å; F152-V264 HydrophobicContact CG-CG2 3.86Å; F152-V264 HydrophobicContact CZ-CG1 3.86Å; I179-V264 HydrophobicContact CD1-CB 4.12Å; I179-V264 HydrophobicContact CD1-CG1 3.95Å; A182-V264 VanDerWaalsContact CB-O 3.31Å; A182-V264 WeakPolarHBondContact CB-O 3.37Å; F262-V264 PolarHBondContact O-N 3.49Å; V264-P266 VanDerWaalsContact O-CD 3.26Å; V264-P266 WeakPolarHBondContact O-CD 3.26Å; V264-L269 HydrophobicContact CG1-CB 4.18Å; V264-L269 HydrophobicContact CG1-CD2 4.02Å
265Y97.9Very high96.1Very high96 Ų9637.5 Ų37.538%0.37620%0.202SC..  trans-76.9114.2177-177.9-129.8000110.5Y183 L244 P267 L268 L269Y183-Y265 AromaticContact CE1-CE2 4Å; Y183-Y265 HydrophobicContact CE1-CE2 4Å; L244-Y265 HydrophobicContact CD2-CD1 4.34Å; Y265-P267 HydrophobicContact CD1-CB 4.33Å; Y265-P267 HydrophobicContact CD1-CG 4.45Å; Y265-P267 HydrophobicContact CE1-CB 3.77Å; Y265-P267 HydrophobicContact CE1-CG 3.84Å; Y265-P267 HydrophobicContact CE2-CG 3.91Å; Y265-L268 HydrophobicContact CD1-CB 3.96Å; Y265-L268 WeakPolarHBondContact O-CB 3.31Å; Y265-L268 PolarHBondContact O-N 3.02Å; Y265-L269 PolarHBondContact O-N 2.7Å
266P97.8Very high96.7Very high4 Ų438.3 Ų38.33%0.02619%0.193CC..Hα-helixtrans-59.2-41.4-169.3-25.335000115.4Y183 V264 L268 L269 D270 P284Y183-P266 HydrophobicContact CE2-CG 3.95Å; V264-P266 VanDerWaalsContact O-CD 3.26Å; V264-P266 WeakPolarHBondContact O-CD 3.26Å; P266-L268 PolarHBondContact O-N 3.01Å; P266-L269 WeakPolarHBondContact O-CB 3.47Å; P266-L269 PolarHBondContact O-N 3.05Å; P266-D270 PolarHBondContact O-N 3.42Å; P266-P284 HydrophobicContact CB-CG 3.52Å; P266-P284 HydrophobicContact CG-CG 3.76Å
267P97.8Very high97.1Very high56 Ų5636.5 Ų36.536%0.36419%0.186SC..Hα-helixtrans-61.9-30175.5-2738000113.9Y183 Y265 R271Y183-P267 WeakPolarHBondContact OH-CD 3.47Å; Y265-P267 HydrophobicContact CD1-CB 4.33Å; Y265-P267 HydrophobicContact CD1-CG 4.45Å; Y265-P267 HydrophobicContact CE1-CB 3.77Å; Y265-P267 HydrophobicContact CE1-CG 3.84Å; Y265-P267 HydrophobicContact CE2-CG 3.91Å; P267-R271 WeakPolarHBondContact O-CB 3.37Å; P267-R271 PolarHBondContact O-N 3.49Å
268L98.2Very high97.5Very high20 Ų2035.9 Ų35.911%0.10518%0.183CC..Hα-helixtrans-70.2-46.9171.6173.269000110.6F152 L244 F245 Y265 P266 D270 R271 L272F152-L268 HydrophobicContact CE1-CD2 4.33Å; L244-L268 HydrophobicContact CB-CD2 3.82Å; L244-L268 HydrophobicContact CD1-CD1 4.46Å; L244-L268 HydrophobicContact CD2-CD2 4.16Å; L244-L268 HydrophobicContact CG-CD2 4.46Å; L244-L268 VanDerWaalsContact O-CD2 3.24Å; L244-L268 WeakPolarHBondContact O-CD2 3.32Å; F245-L268 HydrophobicContact CE1-CD2 4.01Å; F245-L268 HydrophobicContact CE2-CD2 4.27Å; F245-L268 HydrophobicContact CZ-CD1 4.12Å; F245-L268 HydrophobicContact CZ-CD2 3.87Å; F245-L268 HydrophobicContact CZ-CG 4.35Å; Y265-L268 HydrophobicContact CD1-CB 3.96Å; Y265-L268 WeakPolarHBondContact O-CB 3.31Å; Y265-L268 PolarHBondContact O-N 3.02Å; P266-L268 PolarHBondContact O-N 3.01Å; L268-D270 VanDerWaalsContact C-N 3.33Å; L268-D270 PolarHBondContact O-N 2.88Å; L268-R271 PolarHBondContact O-N 2.79Å; L268-L272 HydrophobicContact CD1-CD1 4.22Å; L268-L272 HydrophobicContact CD1-CG 4.24Å; L268-L272 HydrophobicContact CG-CD1 4.07Å; L268-L272 HydrophobicContact CG-CG 4.46Å; L268-L272 WeakPolarHBondContact O-CG 3.37Å; L268-L272 PolarHBondContact O-N 3.04Å
269L98.6Very high97.7Very high0 Ų034.5 Ų34.50%018%0.175CC..Hα-helixtrans-57.6-46.3177.3173.764.5000111L148 F152 L162 V264 Y265 P266 R271 L272 A273 L365 Y367L148-L269 HydrophobicContact CD2-CD1 4.17Å; L148-L269 HydrophobicContact CD2-CD2 4.02Å; F152-L269 HydrophobicContact CE2-CD1 4.22Å; F152-L269 HydrophobicContact CZ-CB 4.24Å; F152-L269 HydrophobicContact CZ-CD1 3.73Å; L162-L269 HydrophobicContact CD1-CD1 4.31Å; L162-L269 HydrophobicContact CD2-CD1 4.05Å; V264-L269 HydrophobicContact CG1-CB 4.18Å; V264-L269 HydrophobicContact CG1-CD2 4.02Å; Y265-L269 PolarHBondContact O-N 2.7Å; P266-L269 WeakPolarHBondContact O-CB 3.47Å; P266-L269 PolarHBondContact O-N 3.05Å; L269-R271 VanDerWaalsContact C-N 3.31Å; L269-R271 PolarHBondContact O-N 2.78Å; L269-L272 PolarHBondContact O-N 3.34Å; L269-A273 WeakPolarHBondContact O-CB 3.21Å; L269-A273 PolarHBondContact O-N 3.34Å; L269-L365 HydrophobicContact CD2-CD1 3.43Å; L269-L365 VanDerWaalsContact CD2-CD1 3.43Å; L269-Y367 HydrophobicContact CD2-CE2 4.25Å; L269-Y367 WeakPolarHBondContact CD2-OH 3.4Å; L269-Y367 WeakPolarHBondContact CG-OH 3.42Å
270D98.3Very high97.8Very high41 Ų4136.4 Ų36.422%0.21919%0.187CC..Hα-helixtrans-58.3-43.7177.6-71.2-20.3000111.8P266 L268 A273 A274 P280 Y367P266-D270 PolarHBondContact O-N 3.42Å; L268-D270 VanDerWaalsContact C-N 3.33Å; L268-D270 PolarHBondContact O-N 2.88Å; D270-A273 PolarHBondContact O-N 3.07Å; D270-A274 WeakPolarHBondContact O-CB 3.34Å; D270-A274 PolarHBondContact O-N 2.97Å; D270-P280 HydrophobicContact CB-CG 4.38Å; D270-Y367 VanDerWaalsContact OD1-CE1 3.32Å; D270-Y367 WeakPolarHBondContact OD1-CE1 3.27Å; D270-Y367 VanDerWaalsContact OD1-CZ 3.29Å; D270-Y367 PolarHBondContact OD1-OH 3.11Å
271R98.1Very high97.9Very high194 Ų19440.1 Ų40.173%0.73221%0.206SC*.Hα-helixtrans-64.5-45.4178-172.9173.4-175.3177.41.8112P267 L268 L269 A274P267-R271 WeakPolarHBondContact O-CB 3.37Å; P267-R271 PolarHBondContact O-N 3.49Å; L268-R271 PolarHBondContact O-N 2.79Å; L269-R271 VanDerWaalsContact C-N 3.31Å; L269-R271 PolarHBondContact O-N 2.78Å; R271-A274 PolarHBondContact O-N 2.91Å
272L98.4Very high97.9Very high7 Ų743 Ų434%0.03722%0.219CC..Hα-helixtrans-66.5-41.7177.6-65.9172.7000111.5F152 A158 R159 L162 F245 L268 L269 A274 D275 Y276F152-L272 HydrophobicContact CE1-CD1 4.38Å; A158-L272 HydrophobicContact CB-CD1 4.3Å; R159-L272 HydrophobicContact CG-CD2 4.42Å; L162-L272 HydrophobicContact CD1-CB 3.51Å; L162-L272 HydrophobicContact CD1-CD1 4.5Å; F245-L272 HydrophobicContact CE1-CD1 3.85Å; F245-L272 HydrophobicContact CZ-CD1 3.82Å; L268-L272 HydrophobicContact CD1-CD1 4.22Å; L268-L272 HydrophobicContact CD1-CG 4.24Å; L268-L272 HydrophobicContact CG-CD1 4.07Å; L268-L272 HydrophobicContact CG-CG 4.46Å; L268-L272 WeakPolarHBondContact O-CG 3.37Å; L268-L272 PolarHBondContact O-N 3.04Å; L269-L272 PolarHBondContact O-N 3.34Å; L272-A274 VanDerWaalsContact C-N 3.29Å; L272-A274 PolarHBondContact O-N 3.25Å; L272-D275 WeakPolarHBondContact O-CB 3.47Å; L272-D275 PolarHBondContact O-N 2.88Å; L272-Y276 WeakPolarHBondContact O-CD2 3.3Å
273A98.4Very high97.8Very high0 Ų050.5 Ų50.50%025%0.254CS..Hα-helixtrans-62.8-37.6179.200000111.5L162 L269 D270 D275 Y276 G277 L278 Y367L162-A273 HydrophobicContact CD2-CB 4.28Å; L269-A273 WeakPolarHBondContact O-CB 3.21Å; L269-A273 PolarHBondContact O-N 3.34Å; D270-A273 PolarHBondContact O-N 3.07Å; A273-D275 VanDerWaalsContact C-N 3.29Å; A273-D275 PolarHBondContact O-N 3Å; A273-Y276 CarbonylContact O-C 3.58Å; A273-Y276 WeakPolarHBondContact O-CA 3.41Å; A273-Y276 PolarHBondContact O-N 3.42Å; A273-G277 PolarHBondContact O-N 3.15Å; A273-L278 CarbonylContact C-O 3.41Å; A273-L278 VanDerWaalsContact C-O 3.28Å; A273-L278 HydrophobicContact CB-CB 3.96Å; A273-L278 WeakPolarHBondContact O-CB 3.38Å; A273-L278 PolarHBondContact O-N 2.79Å; A273-Y367 HydrophobicContact CB-CD1 4Å; A273-Y367 HydrophobicContact CB-CE1 3.76Å
274A97.7Very high97.8Very high47 Ų4751.5 Ų51.539%0.38826%0.261SS..Hα-helixtrans-61.2-34.1176.900000113.2D270 R271 L272 Y276 G277 L278 I279D270-A274 WeakPolarHBondContact O-CB 3.34Å; D270-A274 PolarHBondContact O-N 2.97Å; R271-A274 PolarHBondContact O-N 2.91Å; L272-A274 VanDerWaalsContact C-N 3.29Å; L272-A274 PolarHBondContact O-N 3.25Å; A274-Y276 PolarHBondContact O-N 3.37Å; A274-Y276 VanDerWaalsContact O-N 3.14Å; A274-G277 PolarHBondContact O-N 3.49Å; A274-L278 PolarHBondContact N-O 3.46Å; A274-I279 HydrophobicContact CB-CD1 4.43Å
275D97.2Very high97.7Very high94 Ų9452.9 Ų52.950%0.50327%0.268SS..THydrogen-bonded Turntrans-59.4-23.8174.1-66.6-13.7000112.1R159 L272 A273R159-D275 IonicContact CZ-OD2 2.69Å; R159-D275 VanDerWaalsContact CZ-OD2 3.27Å; R159-D275 IonicContact NH1-OD2 2.74Å; R159-D275 PolarHBondContact NH1-OD2 2.95Å; R159-D275 IonicContact NH2-OD2 3.62Å; R159-D275 PolarHBondContact NH2-OD2 3.09Å; L272-D275 WeakPolarHBondContact O-CB 3.47Å; L272-D275 PolarHBondContact O-N 2.88Å; A273-D275 VanDerWaalsContact C-N 3.29Å; A273-D275 PolarHBondContact O-N 3Å
276Y97.4Very high97.7Very high57 Ų5749.8 Ų49.822%0.22426%0.26CS..THydrogen-bonded Turntrans-107.617.8178.4-57.1-79.6000112.6R159 L162 S166 L272 A273 A274 L278R159-Y276 WeakPolarHBondContact CB-OH 3.24Å; R159-Y276 HydrophobicContact CG-CE2 4.37Å; R159-Y276 PolarHBondContact NH1-OH 3.39Å; L162-Y276 HydrophobicContact CB-CD2 3.68Å; L162-Y276 HydrophobicContact CB-CE2 3.93Å; L162-Y276 HydrophobicContact CB-CG 4.41Å; S166-Y276 VanDerWaalsContact CB-O 3.31Å; S166-Y276 WeakPolarHBondContact CB-O 3.49Å; S166-Y276 PolarHBondContact OG-O 2.94Å; L272-Y276 WeakPolarHBondContact O-CD2 3.3Å; A273-Y276 CarbonylContact O-C 3.58Å; A273-Y276 WeakPolarHBondContact O-CA 3.41Å; A273-Y276 PolarHBondContact O-N 3.42Å; A274-Y276 PolarHBondContact O-N 3.37Å; A274-Y276 VanDerWaalsContact O-N 3.14Å; Y276-L278 PolarHBondContact O-N 3.32Å
277G97.5Very high97.6Very high24 Ų2449.6 Ų49.625%0.24726%0.259CS..THydrogen-bonded Turntrans70.311.9177.700000114.9A273 A274 K369 K370A273-G277 PolarHBondContact O-N 3.15Å; A274-G277 PolarHBondContact O-N 3.49Å; G277-K369 WeakPolarHBondContact O-CA 3.36Å; G277-K370 PolarHBondContact O-N 3.27Å
278L98.3Very high97.4Very high0 Ų049.3 Ų49.30%026%0.261CS..EExtended strand (participates in β ladder)trans-89.8116174.5-64171.3000109L162 I165 L169 F175 A273 A274 Y276 Y367 K369L162-L278 HydrophobicContact CD2-CD1 4.35Å; I165-L278 HydrophobicContact CB-CD1 4.41Å; I165-L278 HydrophobicContact CG2-CD1 3.87Å; I165-L278 HydrophobicContact CG2-CD2 4.49Å; L169-L278 HydrophobicContact CD2-CD2 4.03Å; F175-L278 HydrophobicContact CB-CD2 4.47Å; F175-L278 HydrophobicContact CD1-CD1 4.47Å; A273-L278 CarbonylContact C-O 3.41Å; A273-L278 VanDerWaalsContact C-O 3.28Å; A273-L278 HydrophobicContact CB-CB 3.96Å; A273-L278 WeakPolarHBondContact O-CB 3.38Å; A273-L278 PolarHBondContact O-N 2.79Å; A274-L278 PolarHBondContact N-O 3.46Å; Y276-L278 PolarHBondContact O-N 3.32Å; L278-Y367 HydrophobicContact CB-CD1 4.25Å; L278-Y367 HydrophobicContact CB-CG 4.44Å; L278-K369 HydrophobicContact CD2-CB 4.04Å
279I97.8Very high97.2Very high51 Ų5155 Ų5526%0.26229%0.285SS..EExtended strand (participates in β ladder)trans-111.9127.8-175.6-54.9-59.7000109.8A274 I281 Y367 K368 K370A274-I279 HydrophobicContact CB-CD1 4.43Å; I279-I281 PolarHBondContact O-N 2.9Å; I279-Y367 CarbonylContact O-C 3.49Å; I279-Y367 VanDerWaalsContact O-CA 3.26Å; I279-Y367 WeakPolarHBondContact O-CA 3.2Å; I279-K368 PolarHBondContact N-O 2.67Å; I279-K368 PolarHBondContact O-N 2.82Å; I279-K370 HydrophobicContact CD1-CD 4.05Å; I279-K370 HydrophobicContact CG1-CD 3.52Å; I279-K370 HydrophobicContact CG1-CG 3.68Å
280P98Very high97.1Very high41 Ų4155.2 Ų55.227%0.26629%0.287SS..EExtended strand (participates in β ladder)trans-64.4135.2178.227.4-34000109.7D270 Y367D270-P280 HydrophobicContact CB-CG 4.38Å; P280-Y367 HydrophobicContact CB-CD1 3.99Å; P280-Y367 HydrophobicContact CB-CE1 3.67Å; P280-Y367 HydrophobicContact CG-CE1 4.12Å; P280-Y367 VanDerWaalsContact N-CD1 3.32Å
281I97.1Very high96.9Very high86 Ų8654.9 Ų54.944%0.44128%0.283SS..SBendtrans-77.1-33.5176.5-60.3-171.7000110.7F174 I279 V366 K368F174-I281 HydrophobicContact CD1-CD1 3.66Å; F174-I281 HydrophobicContact CE1-CD1 3.32Å; I279-I281 PolarHBondContact O-N 2.9Å; I281-V366 HydrophobicContact CB-CB 4.49Å; I281-V366 HydrophobicContact CD1-CB 4.37Å; I281-V366 HydrophobicContact CD1-CG1 3.54Å; I281-V366 HydrophobicContact CG1-CG1 4.12Å; I281-V366 PolarHBondContact N-O 3.22Å; I281-K368 HydrophobicContact CD1-CB 4.1Å; I281-K368 HydrophobicContact CG1-CB 4.14Å
282H96Very high96.6Very high65 Ų6551.8 Ų51.830%0.30127%0.273SS..SBendtrans-155.1164.317852.964.9000108.6I285H282-I285 WeakPolarHBondContact CE1-CD1 3.37Å
283E96.7Very high96.3Very high164 Ų16454.2 Ų54.277%0.76629%0.29SS*.SBendtrans-56.4155.2167.5-67.8-178.3172.700111.4I285E283-I285 PolarHBondContact O-N 3.12Å
284P97.5Very high95.9Very high33 Ų3355.2 Ų55.221%0.21430%0.296CS..PPolyproline II helixtrans-52.3129177.7-19.625.8000112P266 L364 L365P266-P284 HydrophobicContact CB-CG 3.52Å; P266-P284 HydrophobicContact CG-CG 3.76Å; P284-L364 WeakPolarHBondContact CA-O 3.49Å; P284-L365 HydrophobicContact CB-CD2 3.63Å; P284-L365 HydrophobicContact CG-CD2 3.52Å
285I97.7Very high95.5Very high30 Ų3056 Ų5615%0.15429%0.294CS..EExtended strand (participates in β ladder)trans-97.2116.9-179.8-57.1177.2000108.5H282 E283 K289 N290 S363 L364H282-I285 WeakPolarHBondContact CE1-CD1 3.37Å; E283-I285 PolarHBondContact O-N 3.12Å; I285-K289 HydrophobicContact CG2-CB 3.99Å; I285-K289 HydrophobicContact CG2-CD 4.18Å; I285-K289 HydrophobicContact CG2-CG 4.01Å; I285-N290 HydrophobicContact CG2-CB 3.77Å; I285-S363 CarbonylContact O-C 3.53Å; I285-S363 WeakPolarHBondContact O-CA 3.33Å; I285-L364 PolarHBondContact N-O 3.23Å; I285-L364 PolarHBondContact O-N 3.46Å
286S97.3Very high95Very high31 Ų3160.2 Ų60.222%0.21730%0.302CS..EExtended strand (participates in β ladder)trans-60.2151.6175.170.20000111.5A288 K289 N290 Y362S286-A288 PolarHBondContact O-N 3.27Å; S286-K289 PolarHBondContact O-N 2.91Å; S286-K289 VanDerWaalsContact O-N 3.12Å; S286-K289 WeakPolarHBondContact OG-CB 3.4Å; S286-K289 PolarHBondContact OG-N 3Å; S286-N290 PolarHBondContact O-N 3.25Å; S286-Y362 WeakPolarHBondContact CA-O 3.28Å
287F96.6Very high94.2Very high0 Ų062.3 Ų62.30%032%0.317CS..Hα-helixtrans-53.5-43.9175.8-9132.3000112.1F40 M44 F146 T178 K289 N290 F291 T359 Y362 L364F40-F287 HydrophobicContact CE1-CD2 4.12Å; M44-F287 HydrophobicContact CB-CD2 4.28Å; M44-F287 HydrophobicContact CB-CE2 3.8Å; M44-F287 HydrophobicContact CB-CZ 4.01Å; M44-F287 HydrophobicContact CE-CB 3.88Å; M44-F287 HydrophobicContact CE-CD1 3.64Å; M44-F287 HydrophobicContact CE-CD2 3.91Å; M44-F287 HydrophobicContact CE-CE1 4.05Å; M44-F287 HydrophobicContact CE-CE2 4.3Å; M44-F287 HydrophobicContact CE-CG 3.54Å; M44-F287 HydrophobicContact CE-CZ 4.34Å; M44-F287 HydrophobicContact CG-CD2 3.78Å; M44-F287 HydrophobicContact CG-CE2 3.79Å; M44-F287 HydrophobicContact CG-CG 4.38Å; M44-F287 HydrophobicContact CG-CZ 4.4Å; M44-F287 HydrophobicContact SD-CD2 4.47Å; F146-F287 HydrophobicContact CE1-CZ 4.43Å; F146-F287 HydrophobicContact CZ-CE2 4.33Å; F146-F287 AromaticContact CZ-CZ 3.89Å; F146-F287 HydrophobicContact CZ-CZ 3.89Å; T178-F287 HydrophobicContact CG2-CE1 3.6Å; T178-F287 HydrophobicContact CG2-CZ 3.71Å; F287-K289 PolarHBondContact O-N 3.17Å; F287-N290 PolarHBondContact O-N 2.84Å; F287-F291 VanDerWaalsContact O-CB 3.23Å; F287-F291 WeakPolarHBondContact O-CB 3.29Å; F287-F291 PolarHBondContact O-N 2.98Å; F287-T359 VanDerWaalsContact CB-O 3.25Å; F287-T359 WeakPolarHBondContact CB-O 3.42Å; F287-Y362 PolarHBondContact N-O 3.15Å; F287-L364 HydrophobicContact CD1-CD2 4.14Å; F287-L364 HydrophobicContact CD1-CG 4.16Å; F287-L364 HydrophobicContact CE1-CD2 3.45Å; F287-L364 VanDerWaalsContact CE1-CD2 3.45Å; F287-L364 HydrophobicContact CE1-CG 3.97Å; F287-L364 HydrophobicContact CZ-CD2 4.3Å
288A92.9Very high92.7Very high50 Ų5072.4 Ų72.441%0.41335%0.348SS..Hα-helixtrans-58.7-47177.100000112.4S286 F291 Y292S286-A288 PolarHBondContact O-N 3.27Å; A288-F291 PolarHBondContact O-N 2.8Å; A288-Y292 WeakPolarHBondContact O-CB 3.44Å; A288-Y292 PolarHBondContact O-N 3.21Å
289K94.7Very high90.8Very high139 Ų13977.4 Ų77.460%0.60438%0.383SS*.Hα-helixtrans-65.3-43.2178.3-176174.7178-179.90111.3I285 S286 F287 S293I285-K289 HydrophobicContact CG2-CB 3.99Å; I285-K289 HydrophobicContact CG2-CD 4.18Å; I285-K289 HydrophobicContact CG2-CG 4.01Å; S286-K289 PolarHBondContact O-N 2.91Å; S286-K289 VanDerWaalsContact O-N 3.12Å; S286-K289 WeakPolarHBondContact OG-CB 3.4Å; S286-K289 PolarHBondContact OG-N 3Å; F287-K289 PolarHBondContact O-N 3.17Å; K289-S293 WeakPolarHBondContact O-CB 3.4Å; K289-S293 PolarHBondContact O-N 3.35Å; K289-S293 PolarHBondContact O-OG 3.39Å
290N94.7Very high88.9Confident6 Ų676.9 Ų76.93%0.03238%0.384CS..Hα-helixtrans-66.2-43.6177.9-177.276.6000112M44 I285 S286 F287 S293 T294 L364M44-N290 HydrophobicContact CE-CB 3.92Å; M44-N290 VanDerWaalsContact CE-ND2 3.3Å; M44-N290 WeakPolarHBondContact CE-ND2 3.46Å; I285-N290 HydrophobicContact CG2-CB 3.77Å; S286-N290 PolarHBondContact O-N 3.25Å; F287-N290 PolarHBondContact O-N 2.84Å; N290-S293 WeakPolarHBondContact CA-OG 3.24Å; N290-S293 PolarHBondContact O-OG 3.06Å; N290-S293 VanDerWaalsContact O-OG 3.05Å; N290-T294 WeakPolarHBondContact O-CB 3.41Å; N290-T294 PolarHBondContact O-N 2.79Å; N290-T294 PolarHBondContact O-OG1 3.49Å; N290-L364 HydrophobicContact CB-CD1 3.82Å; N290-L364 VanDerWaalsContact CG-CD1 3.49Å
291F94.5Very high86.8Confident33 Ų3380.5 Ų80.515%0.14541%0.407CS..Hα-helixtrans-56.5-52.7175.2176.4-118.5000111.2F40 W43 M44 F287 A288 S293 T294 L295 L308 L314 W356F40-F291 HydrophobicContact CE2-CD1 4.5Å; F40-F291 AromaticContact CE2-CD2 3.62Å; F40-F291 HydrophobicContact CE2-CD2 3.62Å; F40-F291 AromaticContact CE2-CE2 3.69Å; F40-F291 HydrophobicContact CE2-CE2 3.69Å; F40-F291 HydrophobicContact CE2-CG 4.04Å; F40-F291 HydrophobicContact CE2-CZ 4.18Å; F40-F291 HydrophobicContact CZ-CB 4.13Å; F40-F291 AromaticContact CZ-CD2 3.9Å; F40-F291 HydrophobicContact CZ-CD2 3.9Å; F40-F291 HydrophobicContact CZ-CE2 4.41Å; F40-F291 AromaticContact CZ-CG 3.94Å; F40-F291 HydrophobicContact CZ-CG 3.94Å; W43-F291 HydrophobicContact CE3-CD2 4.36Å; W43-F291 AromaticContact CH2-CD2 3.6Å; W43-F291 HydrophobicContact CH2-CD2 3.6Å; W43-F291 HydrophobicContact CH2-CE2 4.09Å; W43-F291 AromaticContact CZ3-CD2 3.46Å; W43-F291 HydrophobicContact CZ3-CD2 3.46Å; W43-F291 VanDerWaalsContact CZ3-CD2 3.46Å; W43-F291 HydrophobicContact CZ3-CE2 4.12Å; W43-F291 HydrophobicContact CZ3-CG 4.48Å; M44-F291 HydrophobicContact SD-CB 4.24Å; F287-F291 VanDerWaalsContact O-CB 3.23Å; F287-F291 WeakPolarHBondContact O-CB 3.29Å; F287-F291 PolarHBondContact O-N 2.98Å; A288-F291 PolarHBondContact O-N 2.8Å; F291-S293 PolarHBondContact O-N 2.93Å; F291-T294 PolarHBondContact O-N 2.97Å; F291-L295 HydrophobicContact CD2-CD1 4.04Å; F291-L295 HydrophobicContact CD2-CG 4.3Å; F291-L295 HydrophobicContact CE1-CD1 4Å; F291-L295 HydrophobicContact CE2-CD1 3.39Å; F291-L295 HydrophobicContact CE2-CG 4.04Å; F291-L295 HydrophobicContact CZ-CD1 3.37Å; F291-L295 HydrophobicContact CZ-CG 4.44Å; F291-L295 PolarHBondContact O-N 3.04Å; F291-L295 VanDerWaalsContact O-N 3.07Å; F291-L308 HydrophobicContact CE2-CD1 4.21Å; F291-L308 HydrophobicContact CE2-CD2 3.94Å; F291-L308 HydrophobicContact CZ-CD2 4.37Å; F291-L314 HydrophobicContact CZ-CD1 4.34Å; F291-W356 HydrophobicContact CD1-CH2 4.09Å; F291-W356 AromaticContact CE1-CH2 3.8Å; F291-W356 HydrophobicContact CE1-CH2 3.8Å; F291-W356 HydrophobicContact CE1-CZ2 4.42Å; F291-W356 HydrophobicContact CZ-CH2 4.29Å
292Y91.8Very high85.2Confident130 Ų13081.4 Ų81.451%0.5141%0.41SS..Hα-helixtrans-59.5-49.8-179.6-177.6-98.8000112.9A288 T294 L295 R296A288-Y292 WeakPolarHBondContact O-CB 3.44Å; A288-Y292 PolarHBondContact O-N 3.21Å; Y292-T294 PolarHBondContact O-N 3.26Å; Y292-L295 PolarHBondContact O-N 2.83Å; Y292-R296 PolarHBondContact O-N 2.97Å; Y292-R296 VanDerWaalsContact O-N 3.15Å; Y292-R296 PolarHBondContact OH-NE 2.54Å; Y292-R296 PolarHBondContact OH-NH1 2.83Å; Y292-R296 PolarHBondContact OH-NH2 3.45Å; Y292-R296 VanDerWaalsContact OH-NH2 3.13Å
293S91.7Very high84.4Confident58 Ų5881.7 Ų81.741%0.40641%0.413SS..Hα-helixtrans-65.4-37.2179.954.70000112.8K289 N290 F291 R296 N297K289-S293 WeakPolarHBondContact O-CB 3.4Å; K289-S293 PolarHBondContact O-N 3.35Å; K289-S293 PolarHBondContact O-OG 3.39Å; N290-S293 WeakPolarHBondContact CA-OG 3.24Å; N290-S293 PolarHBondContact O-OG 3.06Å; N290-S293 VanDerWaalsContact O-OG 3.05Å; F291-S293 PolarHBondContact O-N 2.93Å; S293-R296 PolarHBondContact O-N 3.25Å; S293-N297 PolarHBondContact O-N 2.86Å
294T91.7Very high84Confident20 Ų2074.6 Ų74.612%0.12338%0.381CS..Hα-helixtrans-62.4-47.5176.4-63.20000111W43 V47 N290 F291 Y292 R296 N297 P304W43-T294 HydrophobicContact CH2-CG2 3.88Å; W43-T294 HydrophobicContact CZ2-CG2 4.05Å; V47-T294 HydrophobicContact CG1-CG2 3.78Å; V47-T294 HydrophobicContact CG2-CG2 4.48Å; N290-T294 WeakPolarHBondContact O-CB 3.41Å; N290-T294 PolarHBondContact O-N 2.79Å; N290-T294 PolarHBondContact O-OG1 3.49Å; F291-T294 PolarHBondContact O-N 2.97Å; Y292-T294 PolarHBondContact O-N 3.26Å; T294-R296 VanDerWaalsContact C-N 3.32Å; T294-R296 PolarHBondContact O-N 2.96Å; T294-N297 PolarHBondContact O-N 2.73Å; T294-P304 HydrophobicContact CG2-CB 3.42Å; T294-P304 VanDerWaalsContact CG2-CB 3.42Å; T294-P304 HydrophobicContact CG2-CG 3.64Å
295L88.8Confident83.6Confident65 Ų6578.3 Ų78.334%0.3439%0.394SS..Hα-helixtrans-73.2-22.4-177.4-67-173.2000113.9W43 F291 Y292 K305 L308W43-L295 HydrophobicContact CH2-CD2 4.41Å; W43-L295 HydrophobicContact CZ2-CD2 4.17Å; F291-L295 HydrophobicContact CD2-CD1 4.04Å; F291-L295 HydrophobicContact CD2-CG 4.3Å; F291-L295 HydrophobicContact CE1-CD1 4Å; F291-L295 HydrophobicContact CE2-CD1 3.39Å; F291-L295 HydrophobicContact CE2-CG 4.04Å; F291-L295 HydrophobicContact CZ-CD1 3.37Å; F291-L295 HydrophobicContact CZ-CG 4.44Å; F291-L295 PolarHBondContact O-N 3.04Å; F291-L295 VanDerWaalsContact O-N 3.07Å; Y292-L295 PolarHBondContact O-N 2.83Å; L295-K305 HydrophobicContact CD2-CB 4.17Å; L295-K305 HydrophobicContact CD2-CG 4.5Å; L295-L308 HydrophobicContact CD1-CD2 4.47Å; L295-L308 HydrophobicContact CD2-CD2 4.48Å
296R86.1Confident83.2Confident181 Ų18180.8 Ų80.868%0.68341%0.408SS*.Hα-helixtrans-77.5-26.9173.8-85.2-163.6157.2-179.6-2.6113.5Y292 S293 T294 R298Y292-R296 PolarHBondContact O-N 2.97Å; Y292-R296 VanDerWaalsContact O-N 3.15Å; Y292-R296 PolarHBondContact OH-NE 2.54Å; Y292-R296 PolarHBondContact OH-NH1 2.83Å; Y292-R296 PolarHBondContact OH-NH2 3.45Å; Y292-R296 VanDerWaalsContact OH-NH2 3.13Å; S293-R296 PolarHBondContact O-N 3.25Å; T294-R296 VanDerWaalsContact C-N 3.32Å; T294-R296 PolarHBondContact O-N 2.96Å; R296-R298 PolarHBondContact O-N 2.84Å
297N80.2Confident82.9Confident101 Ų10180.1 Ų80.154%0.5440%0.402SS..  trans-88.1101.6-175.5-162.2-12.7000110.7S293 T294 S299S293-N297 PolarHBondContact O-N 2.86Å; T294-N297 PolarHBondContact O-N 2.73Å; N297-S299 PolarHBondContact O-N 3.01Å; N297-S299 PolarHBondContact OD1-OG 3.39Å
298R66Low82.8Confident237 Ų23780.6 Ų80.689%0.89440%0.404SS*.  trans-74.4-2.1-176.8-67.3-170.4179.8-170.31.3114.6R296 S300R296-R298 PolarHBondContact O-N 2.84Å; R298-S300 PolarHBondContact O-N 2.93Å
299S59.7Low82.7Confident105 Ų10584.9 Ų84.973%0.73441%0.413SS*.  trans-89.69.8-162.5-46.20000116.1N297N297-S299 PolarHBondContact O-N 3.01Å; N297-S299 PolarHBondContact OD1-OG 3.39Å
300S57.5Low82.6Confident40 Ų4086.1 Ų86.128%0.2841%0.414SS..  trans-94.7132.7-176.3177.80000113R54 R298 Q302R54-S300 PolarHBondContact NH1-OG 2.81Å; R298-S300 PolarHBondContact O-N 2.93Å; S300-Q302 CarbonylContact O-C 3.59Å; S300-Q302 PolarHBondContact O-N 3.27Å; S300-Q302 VanDerWaalsContact O-N 3.09Å; S300-Q302 PolarHBondContact OG-O 3.39Å; S300-Q302 VanDerWaalsContact OG-O 3.1Å
301P54Low82.6Confident116 Ų11687 Ų8775%0.75342%0.419SS*.SBendtrans-63.4-12179.720.9-34.2000116.1R54R54-P301 VanDerWaalsContact NH1-CD 3.31Å
302Q62.3Low82.6Confident105 Ų10589.4 Ų89.449%0.49143%0.43SS..SBendtrans-119.6112.4159.5-76.2-176.92.600105.8S300 P304S300-Q302 CarbonylContact O-C 3.59Å; S300-Q302 PolarHBondContact O-N 3.27Å; S300-Q302 VanDerWaalsContact O-N 3.09Å; S300-Q302 PolarHBondContact OG-O 3.39Å; S300-Q302 VanDerWaalsContact OG-O 3.1Å; Q302-P304 WeakPolarHBondContact O-CD 3.19Å; Q302-P304 VanDerWaalsContact O-N 3.08Å
303D80.6Confident82.7Confident71 Ų7183.2 Ų83.238%0.3841%0.406SS..  trans-61113-179.4-173.7-8.7000108.4K305 D306 L307D303-K305 PolarHBondContact O-N 3.23Å; D303-K305 VanDerWaalsContact O-N 3.09Å; D303-K305 WeakPolarHBondContact OD1-CB 3.29Å; D303-K305 PolarHBondContact OD1-N 3.04Å; D303-D306 HydrophobicContact CB-CB 4.17Å; D303-D306 PolarHBondContact O-N 3.49Å; D303-L307 PolarHBondContact O-N 3.47Å; D303-L307 VanDerWaalsContact O-N 3.12Å
304P88.5Confident82.8Confident15 Ų1582 Ų8210%0.09740%0.395CS..Hα-helixtrans-54.3-28.8176.2-25.536.7000112W43 V47 T294 Q302 L307 L308W43-P304 HydrophobicContact CZ2-CB 3.85Å; W43-P304 PolarHBondContact NE1-O 2.96Å; V47-P304 HydrophobicContact CG2-CB 4.15Å; T294-P304 HydrophobicContact CG2-CB 3.42Å; T294-P304 VanDerWaalsContact CG2-CB 3.42Å; T294-P304 HydrophobicContact CG2-CG 3.64Å; Q302-P304 WeakPolarHBondContact O-CD 3.19Å; Q302-P304 VanDerWaalsContact O-N 3.08Å; P304-L307 PolarHBondContact O-N 3.23Å; P304-L308 WeakPolarHBondContact O-CB 3.46Å; P304-L308 PolarHBondContact O-N 3.43Å
305K88.6Confident82.8Confident112 Ų11283.4 Ų83.449%0.48740%0.4SS..Hα-helixtrans-67.3-40.2176.3-166.4179-177.2178.70112.4L295 D303 L307 L308 K309L295-K305 HydrophobicContact CD2-CB 4.17Å; L295-K305 HydrophobicContact CD2-CG 4.5Å; D303-K305 PolarHBondContact O-N 3.23Å; D303-K305 VanDerWaalsContact O-N 3.09Å; D303-K305 WeakPolarHBondContact OD1-CB 3.29Å; D303-K305 PolarHBondContact OD1-N 3.04Å; K305-L307 VanDerWaalsContact C-N 3.34Å; K305-L308 WeakPolarHBondContact O-CB 3.37Å; K305-L308 PolarHBondContact O-N 3.3Å; K305-K309 PolarHBondContact O-N 3.09Å; K305-K309 VanDerWaalsContact O-N 3.1Å
306D89.5Confident82.7Confident82 Ų8283.9 Ų83.944%0.43941%0.407SS..Hα-helixtrans-69.4-36.5175.5-72-22.4000111.3D303 L308 K309 R310D303-D306 HydrophobicContact CB-CB 4.17Å; D303-D306 PolarHBondContact O-N 3.49Å; D306-L308 VanDerWaalsContact C-N 3.33Å; D306-K309 PolarHBondContact O-N 2.98Å; D306-R310 WeakPolarHBondContact O-CB 3.38Å; D306-R310 WeakPolarHBondContact O-CG 3.48Å; D306-R310 PolarHBondContact O-N 3.39Å
307L91.5Very high82.5Confident17 Ų1778 Ų789%0.08939%0.385CS..Hα-helixtrans-63.4-40.7171.6-175.764.1000111.6D303 P304 K305 K309 R310 M311D303-L307 PolarHBondContact O-N 3.47Å; D303-L307 VanDerWaalsContact O-N 3.12Å; P304-L307 PolarHBondContact O-N 3.23Å; K305-L307 VanDerWaalsContact C-N 3.34Å; L307-K309 VanDerWaalsContact C-N 3.34Å; L307-K309 PolarHBondContact O-N 2.8Å; L307-R310 PolarHBondContact O-N 2.78Å; L307-M311 HydrophobicContact CD1-CG 3.96Å; L307-M311 HydrophobicContact CD1-SD 3.68Å; L307-M311 HydrophobicContact CD2-SD 4.17Å; L307-M311 HydrophobicContact CG-CG 4.27Å; L307-M311 HydrophobicContact CG-SD 3.67Å; L307-M311 WeakPolarHBondContact O-CB 3.03Å; L307-M311 VanDerWaalsContact O-CG 3.26Å; L307-M311 WeakPolarHBondContact O-CG 3.49Å; L307-M311 PolarHBondContact O-N 3.23Å
308L93.4Very high82.3Confident10 Ų1078 Ų785%0.05238%0.382CS..Hα-helixtrans-58.2-46.7177.9-169.775.2000111F40 W43 F291 L295 P304 K305 D306 M311 E312 A313 L314F40-L308 HydrophobicContact CD2-CD1 4.49Å; W43-L308 HydrophobicContact CB-CD1 4.29Å; W43-L308 HydrophobicContact CD2-CD1 3.4Å; W43-L308 VanDerWaalsContact CD2-CD1 3.4Å; W43-L308 HydrophobicContact CE3-CD1 3.85Å; W43-L308 HydrophobicContact CG-CB 4.47Å; W43-L308 HydrophobicContact CG-CD1 3.6Å; W43-L308 HydrophobicContact CZ2-CB 4.41Å; W43-L308 HydrophobicContact CZ2-CD1 4.11Å; W43-L308 HydrophobicContact CZ3-CD1 4.43Å; F291-L308 HydrophobicContact CE2-CD1 4.21Å; F291-L308 HydrophobicContact CE2-CD2 3.94Å; F291-L308 HydrophobicContact CZ-CD2 4.37Å; L295-L308 HydrophobicContact CD1-CD2 4.47Å; L295-L308 HydrophobicContact CD2-CD2 4.48Å; P304-L308 WeakPolarHBondContact O-CB 3.46Å; P304-L308 PolarHBondContact O-N 3.43Å; K305-L308 WeakPolarHBondContact O-CB 3.37Å; K305-L308 PolarHBondContact O-N 3.3Å; D306-L308 VanDerWaalsContact C-N 3.33Å; L308-M311 PolarHBondContact O-N 2.63Å; L308-E312 PolarHBondContact O-N 3.32Å; L308-A313 HydrophobicContact CD1-CB 3.47Å; L308-A313 VanDerWaalsContact CD1-CB 3.47Å; L308-A313 HydrophobicContact CG-CB 4.06Å; L308-A313 WeakPolarHBondContact O-CB 3.37Å; L308-A313 PolarHBondContact O-N 2.95Å; L308-A313 VanDerWaalsContact O-N 3.12Å; L308-L314 HydrophobicContact CD1-CG 4.4Å; L308-L314 HydrophobicContact CD2-CD1 3.56Å; L308-L314 HydrophobicContact CD2-CG 4.03Å; L308-L314 HydrophobicContact CG-CD1 4.28Å; L308-L314 HydrophobicContact CG-CG 4.23Å
309K92Very high82.1Confident139 Ų13968.1 Ų68.160%0.60435%0.346SS*.Hα-helixtrans-63.9-49.8176.1-69.1176.3180178.30112.2K305 D306 L307 M311 E312K305-K309 PolarHBondContact O-N 3.09Å; K305-K309 VanDerWaalsContact O-N 3.1Å; D306-K309 PolarHBondContact O-N 2.98Å; L307-K309 VanDerWaalsContact C-N 3.34Å; L307-K309 PolarHBondContact O-N 2.8Å; K309-M311 PolarHBondContact O-N 2.9Å; K309-E312 PolarHBondContact O-N 3.1Å
310R92.4Very high81.9Confident165 Ų16567.1 Ų67.162%0.62334%0.339SS*.Hα-helixtrans-61.6-27.5-179.6-75.9-172.4-60.2155.3-2113.4D306 L307 E312D306-R310 WeakPolarHBondContact O-CB 3.38Å; D306-R310 WeakPolarHBondContact O-CG 3.48Å; D306-R310 PolarHBondContact O-N 3.39Å; L307-R310 PolarHBondContact O-N 2.78Å; R310-E312 VanDerWaalsContact C-N 3.32Å
311M93.7Very high81.3Confident25 Ų2573.1 Ų73.112%0.12336%0.362CS..THydrogen-bonded Turntrans-87.4-0.8178.1-70-177.763.100113.1N39 N42 W43 L307 L308 K309 A313N39-M311 WeakPolarHBondContact CB-O 3.48Å; N39-M311 PolarHBondContact ND2-O 3.4Å; N39-M311 VanDerWaalsContact ND2-O 3.13Å; N42-M311 HydrophobicContact CB-CE 3.66Å; N42-M311 WeakPolarHBondContact ND2-CE 3.28Å; W43-M311 HydrophobicContact CB-CE 4.07Å; W43-M311 HydrophobicContact CB-SD 4.05Å; L307-M311 HydrophobicContact CD1-CG 3.96Å; L307-M311 HydrophobicContact CD1-SD 3.68Å; L307-M311 HydrophobicContact CD2-SD 4.17Å; L307-M311 HydrophobicContact CG-CG 4.27Å; L307-M311 HydrophobicContact CG-SD 3.67Å; L307-M311 WeakPolarHBondContact O-CB 3.03Å; L307-M311 VanDerWaalsContact O-CG 3.26Å; L307-M311 WeakPolarHBondContact O-CG 3.49Å; L307-M311 PolarHBondContact O-N 3.23Å; L308-M311 PolarHBondContact O-N 2.63Å; K309-M311 PolarHBondContact O-N 2.9Å; M311-A313 HydrophobicContact CB-CB 4.26Å; M311-A313 PolarHBondContact O-N 3.35Å
312E94.2Very high80.8Confident84 Ų8475.5 Ų75.539%0.39337%0.369SS..THydrogen-bonded Turntrans48.646-172.1-60.2174.8105.400110.2R30 F35 Y36 N39 L308 K309 R310 L314R30-E312 IonicContact NH2-OE1 3.64Å; R30-E312 PolarHBondContact NH2-OE1 3.47Å; R30-E312 IonicContact NH2-OE2 3.68Å; F35-E312 HydrophobicContact CE1-CB 4.15Å; F35-E312 HydrophobicContact CZ-CB 4.27Å; Y36-E312 WeakPolarHBondContact CD1-O 3.31Å; N39-E312 WeakPolarHBondContact CB-O 3.27Å; N39-E312 PolarHBondContact ND2-O 3.29Å; L308-E312 PolarHBondContact O-N 3.32Å; K309-E312 PolarHBondContact O-N 3.1Å; R310-E312 VanDerWaalsContact C-N 3.32Å; E312-L314 VanDerWaalsContact C-N 3.28Å
313A94.7Very high79.9Confident0 Ų078.3 Ų78.30%038%0.376CS..  trans-84.9-4.2-173.400000113.4N39 W43 L308 M311N39-A313 HydrophobicContact CB-CB 4.25Å; W43-A313 HydrophobicContact CB-CB 3.97Å; W43-A313 HydrophobicContact CG-CB 4.43Å; L308-A313 HydrophobicContact CD1-CB 3.47Å; L308-A313 VanDerWaalsContact CD1-CB 3.47Å; L308-A313 HydrophobicContact CG-CB 4.06Å; L308-A313 WeakPolarHBondContact O-CB 3.37Å; L308-A313 PolarHBondContact O-N 2.95Å; L308-A313 VanDerWaalsContact O-N 3.12Å; M311-A313 HydrophobicContact CB-CB 4.26Å; M311-A313 PolarHBondContact O-N 3.35Å
314L93.9Very high78.2Confident33 Ų3380.4 Ų80.417%0.17340%0.396CS..SBendtrans-135.7142171.4-64.6179.6000108.2F40 F291 L308 E312 T350 L351 W356F40-L314 HydrophobicContact CD2-CD2 4.12Å; F40-L314 HydrophobicContact CE2-CD2 4.5Å; F291-L314 HydrophobicContact CZ-CD1 4.34Å; L308-L314 HydrophobicContact CD1-CG 4.4Å; L308-L314 HydrophobicContact CD2-CD1 3.56Å; L308-L314 HydrophobicContact CD2-CG 4.03Å; L308-L314 HydrophobicContact CG-CD1 4.28Å; L308-L314 HydrophobicContact CG-CG 4.23Å; E312-L314 VanDerWaalsContact C-N 3.28Å; L314-T350 CarbonylContact C-O 3.57Å; L314-T350 WeakPolarHBondContact CA-O 3.46Å; L314-L351 HydrophobicContact CD2-CD2 4.18Å; L314-L351 HydrophobicContact CD2-CG 3.87Å; L314-W356 HydrophobicContact CD2-CH2 4.39Å; L314-W356 HydrophobicContact CD2-CZ2 4.19Å
315E90.9Very high76Confident49 Ų4982.9 Ų82.923%0.22941%0.413CS..EExtended strand (participates in β ladder)trans-71.1130.1173.4-175171.8-162.400110.5Y36 W317 Y331 G349 T350Y36-E315 HydrophobicContact CD1-CB 4.08Å; Y36-E315 HydrophobicContact CD2-CB 3.64Å; Y36-E315 HydrophobicContact CD2-CG 3.99Å; Y36-E315 HydrophobicContact CE1-CB 4.11Å; Y36-E315 HydrophobicContact CE2-CB 3.65Å; Y36-E315 HydrophobicContact CE2-CG 3.53Å; Y36-E315 HydrophobicContact CG-CB 3.86Å; E315-W317 PolarHBondContact O-N 3.2Å; E315-Y331 VanDerWaalsContact CD-OH 3.32Å; E315-Y331 PolarHBondContact OE1-OH 3.41Å; E315-Y331 WeakPolarHBondContact OE2-CE1 3.31Å; E315-Y331 PolarHBondContact OE2-OH 3.46Å; E315-G349 CarbonylContact O-C 3.56Å; E315-G349 WeakPolarHBondContact O-CA 3.19Å; E315-T350 PolarHBondContact N-O 2.99Å; E315-T350 PolarHBondContact O-N 2.63Å
316P87.6Confident73.9Confident74 Ų7482.2 Ų82.248%0.48142%0.423SS..EExtended strand (participates in β ladder)trans-73.3119.9170.529.6-30.8000110
317W82.1Confident72.1Confident57 Ų5785.5 Ų85.522%0.21644%0.44CS..EExtended strand (participates in β ladder)trans-110.3128.6174-174.793.1000109.7E315 I319 L334 S347 Y348 T350E315-W317 PolarHBondContact O-N 3.2Å; W317-I319 HydrophobicContact CE3-CG1 4.21Å; W317-I319 HydrophobicContact CH2-CG1 4.01Å; W317-I319 HydrophobicContact CZ3-CD1 4.3Å; W317-I319 HydrophobicContact CZ3-CG1 3.41Å; W317-I319 VanDerWaalsContact CZ3-CG1 3.41Å; W317-L334 HydrophobicContact CB-CD1 3.62Å; W317-L334 HydrophobicContact CD2-CD1 3.44Å; W317-L334 VanDerWaalsContact CD2-CD1 3.44Å; W317-L334 HydrophobicContact CE3-CB 4.5Å; W317-L334 HydrophobicContact CE3-CD1 3.77Å; W317-L334 HydrophobicContact CG-CD1 3.37Å; W317-L334 HydrophobicContact CZ3-CB 4.47Å; W317-S347 CarbonylContact O-C 3.55Å; W317-S347 VanDerWaalsContact O-CA 3.23Å; W317-S347 WeakPolarHBondContact O-CA 3.33Å; W317-Y348 AromaticContact CE3-CD2 3.92Å; W317-Y348 HydrophobicContact CE3-CD2 3.92Å; W317-Y348 AromaticContact CZ3-CD2 3.97Å; W317-Y348 HydrophobicContact CZ3-CD2 3.97Å; W317-Y348 HydrophobicContact CZ3-CE2 4.41Å; W317-Y348 PolarHBondContact N-O 2.75Å; W317-Y348 PolarHBondContact O-N 3.13Å; W317-T350 HydrophobicContact CB-CG2 4.46Å
318H75.3Confident71.1Confident103 Ų10387.8 Ų87.848%0.47745%0.452SS..EExtended strand (participates in β ladder)trans-117.5139.5-174.2-68.3-78.9000112.3S320 S347H318-S320 PolarHBondContact O-N 2.95Å; H318-S347 WeakPolarHBondContact ND1-CB 3.46Å
319I62.1Low70.6Confident29 Ų2992.7 Ų92.715%0.14948%0.479CS..  trans-78.9-11.5-174.9-64.7175.6000113.5W317 H321 S345 N346 Y348W317-I319 HydrophobicContact CE3-CG1 4.21Å; W317-I319 HydrophobicContact CH2-CG1 4.01Å; W317-I319 HydrophobicContact CZ3-CD1 4.3Å; W317-I319 HydrophobicContact CZ3-CG1 3.41Å; W317-I319 VanDerWaalsContact CZ3-CG1 3.41Å; I319-H321 PolarHBondContact O-N 3.15Å; I319-H321 PolarHBondContact O-ND1 3.13Å; I319-S345 WeakPolarHBondContact CD1-O 3.34Å; I319-N346 PolarHBondContact N-O 3.46Å; I319-N346 VanDerWaalsContact N-O 3.13Å; I319-Y348 HydrophobicContact CD1-CE2 3.94Å
320S55.9Low70.4Confident84 Ų8487.4 Ų87.459%0.58746%0.456SS*.  trans-7287.3-171.658.70000113.2H318H318-S320 PolarHBondContact O-N 2.95Å
321H43.4Very low70.2Confident165 Ų16580.7 Ų80.776%0.76443%0.431SS*.SBend43.197.8127.7-6250.2000114.9I319I319-H321 PolarHBondContact O-N 3.15Å; I319-H321 PolarHBondContact O-ND1 3.13Å
322N43.5Very low69.8Low167 Ų16783.3 Ų83.389%0.89345%0.445SS*.  trans111.616.3176.3-64.5-10.6000116.8S324N322-S324 PolarHBondContact O-N 2.94Å
323Y45.1Very low69.3Low163 Ų16382.2 Ų82.264%0.63944%0.439SS*.  trans-74.7110.2153-84.3-84.1000108.6C325 S326Y323-C325 HydrophobicContact CD1-CB 4.35Å; Y323-C325 PolarHBondContact O-N 3.31Å; Y323-S326 PolarHBondContact O-N 3.16Å; Y323-S326 PolarHBondContact O-OG 2.85Å
324S43.4Very low68.7Low115 Ų11582.8 Ų82.880%0.80444%0.442SS*.THydrogen-bonded Turntrans-58.68158.1600000113.2N322 S326N322-S324 PolarHBondContact O-N 2.94Å; S324-S326 VanDerWaalsContact C-N 3.32Å
325C43.5Very low67.9Low67 Ų6783.9 Ų83.945%0.45345%0.451SS..THydrogen-bonded Turntrans-87.18.6169.8-59.10000113.3Y323 N327 D328Y323-C325 HydrophobicContact CD1-CB 4.35Å; Y323-C325 PolarHBondContact O-N 3.31Å; C325-N327 PolarHBondContact O-N 2.79Å; C325-D328 HydrophobicContact CB-CB 4.42Å; C325-D328 PolarHBondContact O-N 2.84Å
326S44.8Very low67.3Low99 Ų9986.2 Ų86.269%0.69247%0.465SS*.THydrogen-bonded Turntrans-65.68.6168.348.30000114.6Y323 S324Y323-S326 PolarHBondContact O-N 3.16Å; Y323-S326 PolarHBondContact O-OG 2.85Å; S324-S326 VanDerWaalsContact C-N 3.32Å
327N51.1Low66.9Low150 Ų15086.6 Ų86.680%0.80246%0.46SS*.THydrogen-bonded Turntrans-125.411.3169.6-85.4-5.7000113.2C325 D329C325-N327 PolarHBondContact O-N 2.79Å; N327-D329 PolarHBondContact O-N 2.76Å; N327-D329 VanDerWaalsContact O-N 3.16Å
328D69.5Low66.5Low65 Ų6587.1 Ų87.135%0.34846%0.464SS..  trans-80.1102.8177.1-156.6-15000108.8C325 E330 Y331C325-D328 HydrophobicContact CB-CB 4.42Å; C325-D328 PolarHBondContact O-N 2.84Å; D328-E330 PolarHBondContact O-N 3.41Å; D328-E330 WeakPolarHBondContact OD1-CB 3.45Å; D328-E330 WeakPolarHBondContact OD1-CG 3.23Å; D328-Y331 HydrophobicContact CB-CD2 4.33Å; D328-Y331 PolarHBondContact O-N 2.69Å
329D83.8Confident66.5Low113 Ų11387.8 Ų87.860%0.60447%0.472SS*.G310 helixtrans-48.3-18.4176.7-78.9-29000112.9N327 Y331N327-D329 PolarHBondContact O-N 2.76Å; N327-D329 VanDerWaalsContact O-N 3.16Å; D329-Y331 VanDerWaalsContact C-N 3.33Å; D329-Y331 PolarHBondContact O-N 3.43Å
330E87.8Confident67.2Low28 Ų2890.2 Ų90.213%0.13149%0.491CS..G310 helixtrans-66.4-22.1174.2-69.4-63.6130.400115.1D328 H333 S352 K353 S354D328-E330 PolarHBondContact O-N 3.41Å; D328-E330 WeakPolarHBondContact OD1-CB 3.45Å; D328-E330 WeakPolarHBondContact OD1-CG 3.23Å; E330-H333 PolarHBondContact O-CE1 2.86Å; E330-S352 CarbonylContact O-C 3.48Å; E330-S352 WeakPolarHBondContact OE2-CB 3.43Å; E330-K353 WeakPolarHBondContact O-CB 3.17Å; E330-K353 PolarHBondContact O-N 2.69Å; E330-K353 PolarHBondContact OE2-N 3.43Å; E330-S354 PolarHBondContact OE1-OG 3.38Å; E330-S354 WeakPolarHBondContact OE2-CB 3.32Å; E330-S354 PolarHBondContact OE2-N 2.94Å; E330-S354 PolarHBondContact OE2-OG 3.33Å; E330-S354 VanDerWaalsContact OE2-OG 3.04Å
331Y88.1Confident67.7Low25 Ų2590.2 Ų90.210%0.09848%0.484CS..G310 helixtrans-124.514.4-177-58.7-85.1000113.9E315 D328 D329 H333 L334 T350E315-Y331 VanDerWaalsContact CD-OH 3.32Å; E315-Y331 PolarHBondContact OE1-OH 3.41Å; E315-Y331 WeakPolarHBondContact OE2-CE1 3.31Å; E315-Y331 PolarHBondContact OE2-OH 3.46Å; D328-Y331 HydrophobicContact CB-CD2 4.33Å; D328-Y331 PolarHBondContact O-N 2.69Å; D329-Y331 VanDerWaalsContact C-N 3.33Å; D329-Y331 PolarHBondContact O-N 3.43Å; Y331-H333 PolarHBondContact O-N 2.97Å; Y331-H333 VanDerWaalsContact O-N 3.13Å; Y331-L334 WeakPolarHBondContact O-CB 3.34Å; Y331-L334 PolarHBondContact O-N 2.99Å; Y331-T350 HydrophobicContact CD1-CG2 3.87Å; Y331-T350 HydrophobicContact CE1-CG2 3.99Å
332I84.2Confident68.6Low79 Ų7991.4 Ų91.441%0.40549%0.49SS..Hα-helixtrans-57.1-31.4-177.2-163.4159000113.2L334 V335 D336I332-L334 PolarHBondContact O-N 3.06Å; I332-V335 WeakPolarHBondContact O-CB 3.48Å; I332-V335 PolarHBondContact O-N 2.91Å; I332-V335 VanDerWaalsContact O-N 3.1Å; I332-D336 PolarHBondContact O-N 3.44Å
333H84.6Confident69.5Low61 Ų6185.7 Ų85.728%0.28246%0.463SS..Hα-helixtrans-61.5-26.2175.857.9-74.7000113.7E330 Y331 H337 T350 L351 W356E330-H333 PolarHBondContact O-CE1 2.86Å; Y331-H333 PolarHBondContact O-N 2.97Å; Y331-H333 VanDerWaalsContact O-N 3.13Å; H333-H337 VanDerWaalsContact O-CB 3.29Å; H333-H337 WeakPolarHBondContact O-CB 3.26Å; H333-H337 PolarHBondContact O-N 3.11Å; H333-H337 VanDerWaalsContact O-N 3.15Å; H333-T350 PolarHBondContact NE2-OG1 3.45Å; H333-L351 PolarHBondContact CE1-O 2.93Å; H333-L351 PolarHBondContact NE2-O 3.22Å; H333-W356 AromaticContact NE2-CD1 3.97Å; H333-W356 AromaticContact NE2-NE1 3.96Å
334L82Confident70.2Confident12 Ų1285.6 Ų85.66%0.06347%0.474CS..Hα-helixtrans-78.9-36.7174.7-68.9-173.9000112.2W317 Y331 I332 H337 Q338 T350W317-L334 HydrophobicContact CB-CD1 3.62Å; W317-L334 HydrophobicContact CD2-CD1 3.44Å; W317-L334 VanDerWaalsContact CD2-CD1 3.44Å; W317-L334 HydrophobicContact CE3-CB 4.5Å; W317-L334 HydrophobicContact CE3-CD1 3.77Å; W317-L334 HydrophobicContact CG-CD1 3.37Å; W317-L334 HydrophobicContact CZ3-CB 4.47Å; Y331-L334 WeakPolarHBondContact O-CB 3.34Å; Y331-L334 PolarHBondContact O-N 2.99Å; I332-L334 PolarHBondContact O-N 3.06Å; L334-H337 PolarHBondContact O-N 3.21Å; L334-Q338 WeakPolarHBondContact O-CB 3.48Å; L334-Q338 PolarHBondContact O-N 2.87Å; L334-T350 HydrophobicContact CD1-CG2 3.52Å; L334-T350 HydrophobicContact CG-CG2 4.21Å
335V77Confident71.3Confident57 Ų5782.5 Ų82.535%0.34545%0.452SS..Hα-helixtrans-62.5-47.2174.9-179.40000109.6I332 H337 Q338 N339I332-V335 WeakPolarHBondContact O-CB 3.48Å; I332-V335 PolarHBondContact O-N 2.91Å; I332-V335 VanDerWaalsContact O-N 3.1Å; V335-H337 VanDerWaalsContact C-N 3.32Å; V335-H337 PolarHBondContact O-N 2.91Å; V335-Q338 PolarHBondContact O-N 3.01Å; V335-N339 VanDerWaalsContact O-CG 3.3Å; V335-N339 PolarHBondContact O-N 3.25Å; V335-N339 PolarHBondContact O-ND2 3.06Å
336D78Confident72.6Confident98 Ų9885 Ų8552%0.52446%0.46SS..Hα-helixtrans-60.9-42176-68-19.9000111.8I332 N339 S340I332-D336 PolarHBondContact O-N 3.44Å; D336-N339 PolarHBondContact O-N 2.86Å; D336-S340 PolarHBondContact O-N 3.29Å; D336-S340 VanDerWaalsContact O-N 3.17Å
337H79.6Confident74.2Confident82 Ų8283 Ų8338%0.3845%0.447SS..Hα-helixtrans-64.1-45.3178.6-168.470.1000112.1H333 L334 V335 N339 S340 L341H333-H337 VanDerWaalsContact O-CB 3.29Å; H333-H337 WeakPolarHBondContact O-CB 3.26Å; H333-H337 PolarHBondContact O-N 3.11Å; H333-H337 VanDerWaalsContact O-N 3.15Å; L334-H337 PolarHBondContact O-N 3.21Å; V335-H337 VanDerWaalsContact C-N 3.32Å; V335-H337 PolarHBondContact O-N 2.91Å; H337-N339 VanDerWaalsContact C-N 3.33Å; H337-N339 PolarHBondContact O-N 3.04Å; H337-S340 PolarHBondContact O-N 3.04Å; H337-S340 VanDerWaalsContact O-N 3.17Å; H337-S340 PolarHBondContact O-OG 3.07Å; H337-L341 WeakPolarHBondContact CE1-CD1 3.41Å; H337-L341 WeakPolarHBondContact NE2-CD1 3.42Å; H337-L341 PolarHBondContact O-N 3.39Å
338Q74.4Confident75.7Confident67 Ų6777.5 Ų77.531%0.31342%0.415SS..Hα-helixtrans-60.9-40.9177.2-179.1-180-4.300112L334 V335 S340L334-Q338 WeakPolarHBondContact O-CB 3.48Å; L334-Q338 PolarHBondContact O-N 2.87Å; V335-Q338 PolarHBondContact O-N 3.01Å; Q338-S340 VanDerWaalsContact C-N 3.25Å; Q338-S340 PolarHBondContact O-N 2.81Å
339N74.2Confident76.7Confident117 Ų11776.7 Ų76.763%0.62642%0.422SS*.Hα-helixtrans-67.1-29.7178.1-69-26.8000112.1V335 D336 H337V335-N339 VanDerWaalsContact O-CG 3.3Å; V335-N339 PolarHBondContact O-N 3.25Å; V335-N339 PolarHBondContact O-ND2 3.06Å; D336-N339 PolarHBondContact O-N 2.86Å; H337-N339 VanDerWaalsContact C-N 3.33Å; H337-N339 PolarHBondContact O-N 3.04Å
340S76.9Confident77Confident81 Ų8171.6 Ų71.657%0.56640%0.395SS*.Hα-helixtrans-82-37.9-178.673.30000114.2D336 H337 Q338D336-S340 PolarHBondContact O-N 3.29Å; D336-S340 VanDerWaalsContact O-N 3.17Å; H337-S340 PolarHBondContact O-N 3.04Å; H337-S340 VanDerWaalsContact O-N 3.17Å; H337-S340 PolarHBondContact O-OG 3.07Å; Q338-S340 VanDerWaalsContact C-N 3.25Å; Q338-S340 PolarHBondContact O-N 2.81Å
341L66.5Low77.3Confident83 Ų8370.3 Ų70.344%0.43539%0.389SS..SBendtrans-104114.2178.8-75.2148.6000107H337 S343H337-L341 WeakPolarHBondContact CE1-CD1 3.41Å; H337-L341 WeakPolarHBondContact NE2-CD1 3.42Å; H337-L341 PolarHBondContact O-N 3.39Å; L341-S343 PolarHBondContact O-N 3.24Å
342H63.4Low77.4Confident191 Ų19169.2 Ų69.288%0.88439%0.385SS*.  trans-66.255.7169-65.865.2000110.4
343S61Low77.9Confident47 Ų4769.7 Ų69.733%0.32938%0.384SS..  trans-103.3118.6-169.11600000108.2L341 S345 Y348L341-S343 PolarHBondContact O-N 3.24Å; S343-S345 PolarHBondContact O-N 3.06Å; S343-S345 PolarHBondContact OG-N 3.17Å; S343-Y348 PolarHBondContact OG-OH 3.16Å
344N61.3Low78.3Confident161 Ų16167 Ų6786%0.86137%0.372SS*.  trans-74.519176.1-71.8-10.4000113.5N346N344-N346 PolarHBondContact O-N 3.42Å
345S66.4Low78.9Confident49 Ų4966.5 Ų66.534%0.34337%0.37SS..  trans-74.2109178.9-1720000110.2I319 S343 S347I319-S345 WeakPolarHBondContact CD1-O 3.34Å; S343-S345 PolarHBondContact O-N 3.06Å; S343-S345 PolarHBondContact OG-N 3.17Å; S345-S347 PolarHBondContact O-N 3.41Å; S345-S347 PolarHBondContact OG-O 3.17Å; S345-S347 VanDerWaalsContact OG-O 3.09Å
346N69.5Low79.8Confident119 Ų11966.8 Ų66.864%0.63636%0.364SS*.SBendtrans-72.6-4.1-177.7-72.9-8.6000114.9I319 N344I319-N346 PolarHBondContact N-O 3.46Å; I319-N346 VanDerWaalsContact N-O 3.13Å; N344-N346 PolarHBondContact O-N 3.42Å
347S78.9Confident80.6Confident58 Ų5864.8 Ų64.841%0.40635%0.352SS..EExtended strand (participates in β ladder)trans-149141.6179.3660000112.6W317 H318 S345W317-S347 CarbonylContact O-C 3.55Å; W317-S347 VanDerWaalsContact O-CA 3.23Å; W317-S347 WeakPolarHBondContact O-CA 3.33Å; H318-S347 WeakPolarHBondContact ND1-CB 3.46Å; S345-S347 PolarHBondContact O-N 3.41Å; S345-S347 PolarHBondContact OG-O 3.17Å; S345-S347 VanDerWaalsContact OG-O 3.09Å
348Y83.5Confident81.4Confident34 Ų3460.9 Ų60.913%0.13333%0.334CS..EExtended strand (participates in β ladder)trans-124.7150.8172.7-62.8-77.4000110.2W317 I319 S343W317-Y348 AromaticContact CE3-CD2 3.92Å; W317-Y348 HydrophobicContact CE3-CD2 3.92Å; W317-Y348 AromaticContact CZ3-CD2 3.97Å; W317-Y348 HydrophobicContact CZ3-CD2 3.97Å; W317-Y348 HydrophobicContact CZ3-CE2 4.41Å; W317-Y348 PolarHBondContact N-O 2.75Å; W317-Y348 PolarHBondContact O-N 3.13Å; I319-Y348 HydrophobicContact CD1-CE2 3.94Å; S343-Y348 PolarHBondContact OG-OH 3.16Å
349G89.1Confident82.3Confident48 Ų4857.8 Ų57.850%0.49532%0.32SS..EExtended strand (participates in β ladder)trans-97.2126.9165.500000109E315E315-G349 CarbonylContact O-C 3.56Å; E315-G349 WeakPolarHBondContact O-CA 3.19Å
350T91.8Very high83.3Confident7 Ų753.9 Ų53.94%0.04330%0.301CS..EExtended strand (participates in β ladder)trans-143.3-179.2179.9-155.10000113L314 E315 W317 Y331 H333 L334L314-T350 CarbonylContact C-O 3.57Å; L314-T350 WeakPolarHBondContact CA-O 3.46Å; E315-T350 PolarHBondContact N-O 2.99Å; E315-T350 PolarHBondContact O-N 2.63Å; W317-T350 HydrophobicContact CB-CG2 4.46Å; Y331-T350 HydrophobicContact CD1-CG2 3.87Å; Y331-T350 HydrophobicContact CE1-CG2 3.99Å; H333-T350 PolarHBondContact NE2-OG1 3.45Å; L334-T350 HydrophobicContact CD1-CG2 3.52Å; L334-T350 HydrophobicContact CG-CG2 4.21Å
351L92.5Very high84.2Confident0 Ų050.1 Ų50.10%028%0.275CS..  trans-116.4157.6157.2-62.3175.6000107.9F40 L314 H333 D355 W356 T359F40-L351 HydrophobicContact CB-CD1 4.08Å; F40-L351 HydrophobicContact CD1-CD1 4.35Å; F40-L351 HydrophobicContact CD2-CD1 4.07Å; F40-L351 HydrophobicContact CG-CD1 3.9Å; L314-L351 HydrophobicContact CD2-CD2 4.18Å; L314-L351 HydrophobicContact CD2-CG 3.87Å; H333-L351 PolarHBondContact CE1-O 2.93Å; H333-L351 PolarHBondContact NE2-O 3.22Å; L351-D355 HydrophobicContact CB-CB 3.88Å; L351-D355 HydrophobicContact CD1-CB 4.37Å; L351-W356 HydrophobicContact CB-CD2 4Å; L351-W356 HydrophobicContact CB-CG 4.07Å; L351-W356 HydrophobicContact CB-CZ2 4.18Å; L351-W356 HydrophobicContact CD1-CD2 4.07Å; L351-W356 HydrophobicContact CD1-CE3 4.01Å; L351-W356 HydrophobicContact CD1-CH2 3.98Å; L351-W356 HydrophobicContact CD1-CZ2 4.1Å; L351-W356 HydrophobicContact CD1-CZ3 3.95Å; L351-W356 HydrophobicContact CG-CD2 4.41Å; L351-W356 HydrophobicContact CG-CH2 4.36Å; L351-W356 HydrophobicContact CG-CZ2 4.03Å; L351-W356 PolarHBondContact O-NE1 3.36Å; L351-T359 HydrophobicContact CD1-CG2 3.9Å
352S91.7Very high85.7Confident2 Ų246.8 Ų46.81%0.01426%0.256CS..  trans-58.5156.1166.868.20000110.4E330 S354 D355 W356E330-S352 CarbonylContact O-C 3.48Å; E330-S352 WeakPolarHBondContact OE2-CB 3.43Å; S352-S354 PolarHBondContact O-N 2.96Å; S352-D355 PolarHBondContact O-N 2.92Å; S352-D355 VanDerWaalsContact O-N 3.15Å; S352-D355 WeakPolarHBondContact OG-CB 3.26Å; S352-D355 PolarHBondContact OG-N 3.46Å; S352-D355 PolarHBondContact OG-OD2 2.94Å; S352-W356 PolarHBondContact O-N 2.86Å
353K93.3Very high87.3Confident90 Ų9037.9 Ų37.939%0.39122%0.216SC..Hα-helixtrans-55-44.1175.9-178.5-178173.9-176.20110.7E330 D355 W356 E357E330-K353 WeakPolarHBondContact O-CB 3.17Å; E330-K353 PolarHBondContact O-N 2.69Å; E330-K353 PolarHBondContact OE2-N 3.43Å; K353-D355 VanDerWaalsContact C-N 3.32Å; K353-D355 PolarHBondContact O-N 3.38Å; K353-W356 PolarHBondContact O-N 3.18Å; K353-E357 WeakPolarHBondContact O-CG 3.47Å; K353-E357 PolarHBondContact O-N 3.31Å
354S94.4Very high89.1Confident3 Ų335.7 Ų35.72%0.02120%0.201CC..Hα-helixtrans-60.8-40.8178.8-76.20000112.2N213 E330 S352 E357 V358N213-S354 WeakPolarHBondContact ND2-CA 3.39Å; N213-S354 WeakPolarHBondContact ND2-CB 3.4Å; N213-S354 PolarHBondContact ND2-O 2.92Å; E330-S354 PolarHBondContact OE1-OG 3.38Å; E330-S354 WeakPolarHBondContact OE2-CB 3.32Å; E330-S354 PolarHBondContact OE2-N 2.94Å; E330-S354 PolarHBondContact OE2-OG 3.33Å; E330-S354 VanDerWaalsContact OE2-OG 3.04Å; S352-S354 PolarHBondContact O-N 2.96Å; S354-E357 PolarHBondContact O-N 3.13Å; S354-V358 PolarHBondContact O-N 3.39Å
355D94.6Very high90.9Very high3 Ų328.2 Ų28.22%0.01616%0.16CC..Hα-helixtrans-71-40.3176.1-75.6-5.5000111.9L37 L351 S352 K353 E357 V358 T359L37-D355 HydrophobicContact CB-CB 4.12Å; L351-D355 HydrophobicContact CB-CB 3.88Å; L351-D355 HydrophobicContact CD1-CB 4.37Å; S352-D355 PolarHBondContact O-N 2.92Å; S352-D355 VanDerWaalsContact O-N 3.15Å; S352-D355 WeakPolarHBondContact OG-CB 3.26Å; S352-D355 PolarHBondContact OG-N 3.46Å; S352-D355 PolarHBondContact OG-OD2 2.94Å; K353-D355 VanDerWaalsContact C-N 3.32Å; K353-D355 PolarHBondContact O-N 3.38Å; D355-E357 VanDerWaalsContact C-N 3.29Å; D355-E357 PolarHBondContact O-N 3.07Å; D355-V358 PolarHBondContact O-N 2.94Å; D355-T359 WeakPolarHBondContact O-CG2 3.49Å; D355-T359 PolarHBondContact O-N 2.77Å
356W94.7Very high92.4Very high62 Ų6226.4 Ų26.424%0.23515%0.147CC..Hα-helixtrans-60.8-39.2174.1-85.9130000112.1F40 F291 L314 H333 L351 S352 K353 V358 T359 S360F40-W356 HydrophobicContact CD2-CH2 4.41Å; F40-W356 HydrophobicContact CE1-CZ3 4.27Å; F40-W356 AromaticContact CE2-CH2 3.74Å; F40-W356 HydrophobicContact CE2-CH2 3.74Å; F40-W356 AromaticContact CE2-CZ3 3.99Å; F40-W356 HydrophobicContact CE2-CZ3 3.99Å; F40-W356 AromaticContact CZ-CH2 3.97Å; F40-W356 HydrophobicContact CZ-CH2 3.97Å; F40-W356 AromaticContact CZ-CZ3 3.74Å; F40-W356 HydrophobicContact CZ-CZ3 3.74Å; F291-W356 HydrophobicContact CD1-CH2 4.09Å; F291-W356 AromaticContact CE1-CH2 3.8Å; F291-W356 HydrophobicContact CE1-CH2 3.8Å; F291-W356 HydrophobicContact CE1-CZ2 4.42Å; F291-W356 HydrophobicContact CZ-CH2 4.29Å; L314-W356 HydrophobicContact CD2-CH2 4.39Å; L314-W356 HydrophobicContact CD2-CZ2 4.19Å; H333-W356 AromaticContact NE2-CD1 3.97Å; H333-W356 AromaticContact NE2-NE1 3.96Å; L351-W356 HydrophobicContact CB-CD2 4Å; L351-W356 HydrophobicContact CB-CG 4.07Å; L351-W356 HydrophobicContact CB-CZ2 4.18Å; L351-W356 HydrophobicContact CD1-CD2 4.07Å; L351-W356 HydrophobicContact CD1-CE3 4.01Å; L351-W356 HydrophobicContact CD1-CH2 3.98Å; L351-W356 HydrophobicContact CD1-CZ2 4.1Å; L351-W356 HydrophobicContact CD1-CZ3 3.95Å; L351-W356 HydrophobicContact CG-CD2 4.41Å; L351-W356 HydrophobicContact CG-CH2 4.36Å; L351-W356 HydrophobicContact CG-CZ2 4.03Å; L351-W356 PolarHBondContact O-NE1 3.36Å; S352-W356 PolarHBondContact O-N 2.86Å; K353-W356 PolarHBondContact O-N 3.18Å; W356-V358 VanDerWaalsContact C-N 3.27Å; W356-V358 PolarHBondContact O-N 2.82Å; W356-T359 PolarHBondContact O-N 3.44Å; W356-T359 PolarHBondContact O-OG1 2.82Å; W356-S360 PolarHBondContact O-N 3.33Å; W356-S360 VanDerWaalsContact O-N 3.09Å; W356-S360 PolarHBondContact O-OG 2.86Å
357E95.2Very high93.8Very high57 Ų5720.8 Ų20.827%0.26612%0.117SC..Hα-helixtrans-60.4-36.3173-77.8178.3-17800111.9R188 N213 Y216 K353 S354 D355 S360R188-E357 PolarHBondContact NH1-O 2.99Å; R188-E357 PolarHBondContact NH2-O 3.36Å; N213-E357 PolarHBondContact ND2-OE2 3.3Å; Y216-E357 HydrophobicContact CE1-CB 4.23Å; K353-E357 WeakPolarHBondContact O-CG 3.47Å; K353-E357 PolarHBondContact O-N 3.31Å; S354-E357 PolarHBondContact O-N 3.13Å; D355-E357 VanDerWaalsContact C-N 3.29Å; D355-E357 PolarHBondContact O-N 3.07Å; E357-S360 WeakPolarHBondContact CA-OG 3.22Å; E357-S360 PolarHBondContact O-OG 3.07Å
358V96Very high94.7Very high0 Ų021.2 Ų21.20%011%0.112CC..Hα-helixtrans-69-51174.3-179.50000111.6L37 V215 Y216 L253 S354 D355 W356 S360 M361 Y362L37-V358 HydrophobicContact CD1-CB 4.12Å; L37-V358 HydrophobicContact CD1-CG1 4.12Å; L37-V358 HydrophobicContact CD2-CB 3.86Å; L37-V358 HydrophobicContact CD2-CG1 3.81Å; L37-V358 HydrophobicContact CD2-CG2 4.08Å; V215-V358 HydrophobicContact CG2-CG2 3.71Å; Y216-V358 HydrophobicContact CD1-CG2 3.38Å; Y216-V358 HydrophobicContact CE1-CG2 4.19Å; Y216-V358 HydrophobicContact CG-CG2 3.81Å; L253-V358 HydrophobicContact CD1-CG1 4.14Å; L253-V358 HydrophobicContact CD1-CG2 4.07Å; L253-V358 HydrophobicContact CD2-CG1 4.38Å; S354-V358 PolarHBondContact O-N 3.39Å; D355-V358 PolarHBondContact O-N 2.94Å; W356-V358 VanDerWaalsContact C-N 3.27Å; W356-V358 PolarHBondContact O-N 2.82Å; V358-S360 PolarHBondContact O-N 3.12Å; V358-M361 HydrophobicContact CB-CE 4.4Å; V358-M361 HydrophobicContact CG1-CE 4.34Å; V358-M361 HydrophobicContact CG2-CE 4.44Å; V358-M361 WeakPolarHBondContact O-CB 3.39Å; V358-M361 PolarHBondContact O-N 3Å; V358-Y362 HydrophobicContact CG1-CE2 4.05Å; V358-Y362 WeakPolarHBondContact O-CD2 3.32Å
359T94.4Very high95.4Very high2 Ų220.8 Ų20.81%0.01211%0.11CC..Hα-helixtrans-60.4-33.8-175.961.80000112.7L37 F40 F287 L351 D355 W356 M361 Y362L37-T359 HydrophobicContact CD1-CG2 3.37Å; F40-T359 HydrophobicContact CD1-CG2 3.41Å; F40-T359 VanDerWaalsContact CD1-CG2 3.41Å; F40-T359 HydrophobicContact CE1-CG2 3.66Å; F40-T359 HydrophobicContact CG-CG2 4.28Å; F287-T359 VanDerWaalsContact CB-O 3.25Å; F287-T359 WeakPolarHBondContact CB-O 3.42Å; L351-T359 HydrophobicContact CD1-CG2 3.9Å; D355-T359 WeakPolarHBondContact O-CG2 3.49Å; D355-T359 PolarHBondContact O-N 2.77Å; W356-T359 PolarHBondContact O-N 3.44Å; W356-T359 PolarHBondContact O-OG1 2.82Å; T359-M361 PolarHBondContact O-N 2.83Å; T359-Y362 PolarHBondContact O-N 3.02Å
360S93.6Very high95.6Very high34 Ų3424.2 Ų24.224%0.23811%0.112CC..THydrogen-bonded Turntrans-68.5-14.4179.249.40000114.2R188 W356 E357 V358 Y362R188-S360 PolarHBondContact NH2-OG 3.39Å; W356-S360 PolarHBondContact O-N 3.33Å; W356-S360 VanDerWaalsContact O-N 3.09Å; W356-S360 PolarHBondContact O-OG 2.86Å; E357-S360 WeakPolarHBondContact CA-OG 3.22Å; E357-S360 PolarHBondContact O-OG 3.07Å; V358-S360 PolarHBondContact O-N 3.12Å; S360-Y362 VanDerWaalsContact C-N 3.26Å; S360-Y362 PolarHBondContact O-N 3.16Å
361M96.2Very high95.2Very high3 Ų326.9 Ų26.92%0.01513%0.129CC..THydrogen-bonded Turntrans-82.25.8176.6-65.1-170.3-7100113.9P180 N181 E184 L185 F211 Y216 V218 F251 V358 T359P180-M361 CarbonylContact C-O 3.58Å; P180-M361 WeakPolarHBondContact CA-O 3.46Å; N181-M361 PolarHBondContact N-O 2.87Å; E184-M361 HydrophobicContact CG-CG 4.14Å; L185-M361 HydrophobicContact CD2-SD 4.3Å; F211-M361 HydrophobicContact CE2-SD 4.28Å; Y216-M361 HydrophobicContact CD1-CE 4.06Å; Y216-M361 HydrophobicContact CD2-CE 3.43Å; Y216-M361 VanDerWaalsContact CD2-CE 3.43Å; Y216-M361 HydrophobicContact CD2-SD 4.3Å; Y216-M361 HydrophobicContact CE1-CE 3.88Å; Y216-M361 HydrophobicContact CE2-CE 3.23Å; Y216-M361 HydrophobicContact CE2-SD 3.57Å; Y216-M361 VanDerWaalsContact CE2-SD 3.57Å; Y216-M361 HydrophobicContact CG-CE 3.85Å; Y216-M361 VanDerWaalsContact CZ-CE 3.48Å; V218-M361 HydrophobicContact CG2-SD 4.48Å; F251-M361 HydrophobicContact CE2-CE 3.99Å; F251-M361 HydrophobicContact CZ-CE 4.5Å; V358-M361 HydrophobicContact CB-CE 4.4Å; V358-M361 HydrophobicContact CG1-CE 4.34Å; V358-M361 HydrophobicContact CG2-CE 4.44Å; V358-M361 WeakPolarHBondContact O-CB 3.39Å; V358-M361 PolarHBondContact O-N 3Å; T359-M361 PolarHBondContact O-N 2.83Å
362Y98Very high94.3Very high12 Ų1232.6 Ų32.65%0.04716%0.16CC..EExtended strand (participates in β ladder)trans-120.5148.5-178.9-62.7-75000113.4F146 T178 I179 P180 F251 S286 F287 V358 T359 S360F146-Y362 AromaticContact CD1-CD1 3.84Å; F146-Y362 HydrophobicContact CD1-CD1 3.84Å; F146-Y362 AromaticContact CD1-CE1 3.63Å; F146-Y362 HydrophobicContact CD1-CE1 3.63Å; F146-Y362 AromaticContact CE1-CD1 3.56Å; F146-Y362 HydrophobicContact CE1-CD1 3.56Å; F146-Y362 HydrophobicContact CE1-CD2 4.14Å; F146-Y362 AromaticContact CE1-CE1 3.64Å; F146-Y362 HydrophobicContact CE1-CE1 3.64Å; F146-Y362 HydrophobicContact CE1-CE2 4.18Å; F146-Y362 AromaticContact CE1-CG 3.82Å; F146-Y362 HydrophobicContact CE1-CG 3.82Å; F146-Y362 AromaticContact CE1-CZ 3.95Å; T178-Y362 HydrophobicContact CG2-CD1 4.43Å; I179-Y362 WeakPolarHBondContact O-CA 3.31Å; P180-Y362 HydrophobicContact CG-CE1 4.23Å; F251-Y362 VanDerWaalsContact CE1-OH 3.31Å; F251-Y362 WeakPolarHBondContact CE1-OH 3.25Å; F251-Y362 VanDerWaalsContact CZ-OH 3.26Å; F251-Y362 WeakPolarHBondContact CZ-OH 3.46Å; S286-Y362 WeakPolarHBondContact CA-O 3.28Å; F287-Y362 PolarHBondContact N-O 3.15Å; V358-Y362 HydrophobicContact CG1-CE2 4.05Å; V358-Y362 WeakPolarHBondContact O-CD2 3.32Å; T359-Y362 PolarHBondContact O-N 3.02Å; S360-Y362 VanDerWaalsContact C-N 3.26Å; S360-Y362 PolarHBondContact O-N 3.16Å
363S98.2Very high92.7Very high4 Ų442.6 Ų42.63%0.02820%0.203CC..EExtended strand (participates in β ladder)trans-130.9147.8177-68.50000111.5T178 I179 N181 I285T178-S363 WeakPolarHBondContact CA-O 3.45Å; I179-S363 PolarHBondContact N-O 3.38Å; I179-S363 PolarHBondContact O-N 2.93Å; N181-S363 WeakPolarHBondContact CB-OG 3.43Å; N181-S363 PolarHBondContact ND2-OG 3.16Å; I285-S363 CarbonylContact O-C 3.53Å; I285-S363 WeakPolarHBondContact O-CA 3.33Å
364L98.5Very high90Very high2 Ų248.2 Ų48.21%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-98.2133.8175.7-56.7176.4000110M44 F48 T178 P284 I285 F287 N290M44-L364 HydrophobicContact CE-CD1 4.07Å; F48-L364 HydrophobicContact CB-CD1 4.23Å; F48-L364 HydrophobicContact CB-CD2 4.49Å; F48-L364 HydrophobicContact CD1-CD1 4.41Å; F48-L364 HydrophobicContact CD1-CD2 3.64Å; F48-L364 HydrophobicContact CD1-CG 4.43Å; F48-L364 HydrophobicContact CD2-CD1 4.06Å; F48-L364 HydrophobicContact CE1-CB 4.2Å; F48-L364 HydrophobicContact CE1-CD2 3.92Å; F48-L364 HydrophobicContact CE2-CB 4.27Å; F48-L364 HydrophobicContact CG-CD1 3.99Å; F48-L364 HydrophobicContact CG-CD2 4.05Å; F48-L364 HydrophobicContact CG-CG 4.49Å; F48-L364 HydrophobicContact CZ-CB 4.05Å; T178-L364 HydrophobicContact CG2-CD2 4.39Å; T178-L364 WeakPolarHBondContact OG1-CD2 3.45Å; P284-L364 WeakPolarHBondContact CA-O 3.49Å; I285-L364 PolarHBondContact N-O 3.23Å; I285-L364 PolarHBondContact O-N 3.46Å; F287-L364 HydrophobicContact CD1-CD2 4.14Å; F287-L364 HydrophobicContact CD1-CG 4.16Å; F287-L364 HydrophobicContact CE1-CD2 3.45Å; F287-L364 VanDerWaalsContact CE1-CD2 3.45Å; F287-L364 HydrophobicContact CE1-CG 3.97Å; F287-L364 HydrophobicContact CZ-CD2 4.3Å; N290-L364 HydrophobicContact CB-CD1 3.82Å; N290-L364 VanDerWaalsContact CG-CD1 3.49Å
365L98.3Very high89.8Confident3 Ų350.5 Ų50.52%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-117.4139.8179.2-63.4174.5000111F48 L148 I176 A177 I179 L269 P284 Y367F48-L365 WeakPolarHBondContact CZ-O 3.29Å; L148-L365 HydrophobicContact CD2-CD1 4.33Å; I176-L365 WeakPolarHBondContact CA-O 3.33Å; A177-L365 HydrophobicContact CB-CB 4.33Å; A177-L365 HydrophobicContact CB-CD1 4.28Å; A177-L365 PolarHBondContact N-O 2.92Å; A177-L365 VanDerWaalsContact N-O 3.08Å; A177-L365 PolarHBondContact O-N 3.35Å; I179-L365 HydrophobicContact CB-CD1 4.4Å; I179-L365 HydrophobicContact CD1-CD1 3.62Å; I179-L365 HydrophobicContact CD1-CD2 4.3Å; I179-L365 HydrophobicContact CD1-CG 4.14Å; I179-L365 HydrophobicContact CG1-CD1 3.71Å; I179-L365 HydrophobicContact CG1-CG 4.01Å; I179-L365 HydrophobicContact CG2-CD1 3.8Å; L269-L365 HydrophobicContact CD2-CD1 3.43Å; L269-L365 VanDerWaalsContact CD2-CD1 3.43Å; P284-L365 HydrophobicContact CB-CD2 3.63Å; P284-L365 HydrophobicContact CG-CD2 3.52Å; L365-Y367 HydrophobicContact CB-CE2 4.07Å; L365-Y367 HydrophobicContact CD1-CE2 4.35Å
366V98.5Very high89.6Confident12 Ų1252.9 Ų52.97%0.07327%0.268CS..EExtended strand (participates in β ladder)trans-136.6120.8172.1-168.40000109.5F48 F174 F175 I176 I281F48-V366 HydrophobicContact CE2-CG2 3.5Å; F48-V366 HydrophobicContact CZ-CG2 3.63Å; F174-V366 HydrophobicContact CD1-CG1 3.87Å; F175-V366 WeakPolarHBondContact O-CA 3.25Å; I176-V366 HydrophobicContact CG2-CG1 4.05Å; I176-V366 HydrophobicContact CG2-CG2 4.2Å; I281-V366 HydrophobicContact CB-CB 4.49Å; I281-V366 HydrophobicContact CD1-CB 4.37Å; I281-V366 HydrophobicContact CD1-CG1 3.54Å; I281-V366 HydrophobicContact CG1-CG1 4.12Å; I281-V366 PolarHBondContact N-O 3.22Å
367Y98.6Very high89.3Confident1 Ų152.4 Ų52.40%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-112.7147.2169.6-62.9-97.7000109.7F174 F175 L269 D270 A273 L278 I279 P280 L365F174-Y367 CarbonylContact C-O 3.47Å; F174-Y367 WeakPolarHBondContact CA-O 3.5Å; F175-Y367 AromaticContact CD1-CD2 3.63Å; F175-Y367 HydrophobicContact CD1-CD2 3.63Å; F175-Y367 HydrophobicContact CD1-CE2 4.41Å; F175-Y367 HydrophobicContact CD1-CG 4.17Å; F175-Y367 HydrophobicContact CE1-CD2 4.02Å; F175-Y367 HydrophobicContact CE1-CE2 4.37Å; F175-Y367 PolarHBondContact N-O 3.24Å; F175-Y367 PolarHBondContact O-N 3.43Å; L269-Y367 HydrophobicContact CD2-CE2 4.25Å; L269-Y367 WeakPolarHBondContact CD2-OH 3.4Å; L269-Y367 WeakPolarHBondContact CG-OH 3.42Å; D270-Y367 VanDerWaalsContact OD1-CE1 3.32Å; D270-Y367 WeakPolarHBondContact OD1-CE1 3.27Å; D270-Y367 VanDerWaalsContact OD1-CZ 3.29Å; D270-Y367 PolarHBondContact OD1-OH 3.11Å; A273-Y367 HydrophobicContact CB-CD1 4Å; A273-Y367 HydrophobicContact CB-CE1 3.76Å; L278-Y367 HydrophobicContact CB-CD1 4.25Å; L278-Y367 HydrophobicContact CB-CG 4.44Å; I279-Y367 CarbonylContact O-C 3.49Å; I279-Y367 VanDerWaalsContact O-CA 3.26Å; I279-Y367 WeakPolarHBondContact O-CA 3.2Å; P280-Y367 HydrophobicContact CB-CD1 3.99Å; P280-Y367 HydrophobicContact CB-CE1 3.67Å; P280-Y367 HydrophobicContact CG-CE1 4.12Å; P280-Y367 VanDerWaalsContact N-CD1 3.32Å; L365-Y367 HydrophobicContact CB-CE2 4.07Å; L365-Y367 HydrophobicContact CD1-CE2 4.35Å
368K98.1Very high88.9Confident66 Ų6652.2 Ų52.229%0.28727%0.27SS..EExtended strand (participates in β ladder)trans-111.6134.3167.8-169.9172-176.2172.20108.8N172 G173 F174 I279 I281 K370N172-K368 VanDerWaalsContact CA-CE 3.42Å; N172-K368 VanDerWaalsContact CB-CE 3.44Å; N172-K368 VanDerWaalsContact O-CE 3.25Å; N172-K368 WeakPolarHBondContact O-CE 3.3Å; N172-K368 VanDerWaalsContact OD1-CE 3.3Å; N172-K368 WeakPolarHBondContact OD1-CE 3.34Å; G173-K368 WeakPolarHBondContact O-CA 3.45Å; F174-K368 HydrophobicContact CE1-CD 4.4Å; F174-K368 HydrophobicContact CE1-CG 4.5Å; F174-K368 HydrophobicContact CZ-CD 4.24Å; I279-K368 PolarHBondContact N-O 2.67Å; I279-K368 PolarHBondContact O-N 2.82Å; I281-K368 HydrophobicContact CD1-CB 4.1Å; I281-K368 HydrophobicContact CG1-CB 4.14Å; K368-K370 PolarHBondContact O-N 2.85Å
369K97.8Very high88.5Confident25 Ų2555.4 Ų55.411%0.10929%0.287CS..EExtended strand (participates in β ladder)trans-75.1122.4172.4178.7169.9176.3-175.60109.6S166 L169 N172 G173 G277 L278S166-K369 WeakPolarHBondContact O-CE 3.46Å; S166-K369 PolarHBondContact O-NZ 3.31Å; L169-K369 HydrophobicContact CB-CD 4.03Å; L169-K369 HydrophobicContact CD2-CB 3.65Å; L169-K369 HydrophobicContact CD2-CD 4.5Å; L169-K369 HydrophobicContact CG-CB 4.34Å; L169-K369 VanDerWaalsContact O-CD 3.28Å; L169-K369 WeakPolarHBondContact O-CD 3.25Å; L169-K369 PolarHBondContact O-NZ 2.94Å; N172-K369 WeakPolarHBondContact CA-O 3.15Å; N172-K369 PolarHBondContact N-O 3.08Å; G173-K369 PolarHBondContact O-N 3.27Å; G277-K369 WeakPolarHBondContact O-CA 3.36Å; L278-K369 HydrophobicContact CD2-CB 4.04Å
370K92.6Very high88.1Confident120 Ų12059 Ų5952%0.52231%0.305SS..PPolyproline II helixtrans-65.9147.4172.8-89.1-179.4170.21590110.4G277 I279 K368G277-K370 PolarHBondContact O-N 3.27Å; I279-K370 HydrophobicContact CD1-CD 4.05Å; I279-K370 HydrophobicContact CG1-CD 3.52Å; I279-K370 HydrophobicContact CG1-CG 3.68Å; K368-K370 PolarHBondContact O-N 2.85Å
371P84.3Confident87.7Confident64 Ų6460.8 Ų60.842%0.41631%0.31SS..PPolyproline II helixtrans-57.3140.5163.6-1729.3000109.4K373P371-K373 PolarHBondContact O-N 3.25Å; P371-K373 VanDerWaalsContact O-N 3.09Å
372N72.6Confident87Confident120 Ų12065.2 Ų65.264%0.64233%0.333SS*.PPolyproline II helixtrans-61.3117.4165.8-77.1-24.3000106.3E171 V374E171-N372 PolarHBondContact OE1-N 3.1Å; N372-V374 PolarHBondContact O-N 2.73Å
373K59.8Low86.1Confident212 Ų21269.7 Ų69.792%0.92236%0.357SS*.  trans-61.7107.9170.6-77.8-173.8173.7-172.90106.6P371P371-K373 PolarHBondContact O-N 3.25Å; P371-K373 VanDerWaalsContact O-N 3.09Å
374V36.2Very low85Confident207 Ų20775.6 Ų75.6100%1.25539%0.387SS*.  trans-65.80167.2-178.80000108.9N372N372-V374 PolarHBondContact O-N 2.73Å

Retrieved 374 of 374 residues in 198.6 ms (Link to these results)

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