DPYL5_HUMAN Loading...

Dihydropyrimidinase-related protein 5

Involved in the negative regulation of dendrite outgrowth.

AlphaFold DB , UniProt , Accession Q9BPU6, Species HUMAN (Homo sapiens, Human), Gene DPYSL5, Length 564 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
1M33.6Very low62.8Low246 Ų24697.4 Ų97.4100%1.21258%0.576SS**  089.90-74.6-161.6-100.600108.1
2L36.2Very low65.8Low175 Ų17589.3 Ų89.392%0.91653%0.529SS*.  trans-105.1115.1170-77.3158.9000105N4L2-N4 PolarHBondContact O-N 2.91Å
3A35.3Very low68.2Low101 Ų10190 Ų9084%0.83552%0.521SS*.  trans-52.6133.4177.600000109.8S5A3-S5 PolarHBondContact O-N 2.61Å
4N33.7Very low70.3Confident168 Ų16886.1 Ų86.190%0.89851%0.51SS*.  trans-47100.8171-98.7-12.4000109.7L2 A6L2-N4 PolarHBondContact O-N 2.91Å; N4-A6 VanDerWaalsContact C-N 3.35Å; N4-A6 PolarHBondContact O-N 3.45Å
5S42.8Very low72.1Confident114 Ų11480.5 Ų80.580%0.79748%0.477SS*.  trans-63.4105.1156.6174.50000105.3A3 S7A3-S5 PolarHBondContact O-N 2.61Å; S5-S7 PolarHBondContact O-N 2.94Å; S5-S7 VanDerWaalsContact O-N 3.08Å
6A57.7Low73.8Confident83 Ų8381.3 Ų81.369%0.68647%0.472SS*.  trans-47.1121.6173.600000108.4N4 V8N4-A6 VanDerWaalsContact C-N 3.35Å; N4-A6 PolarHBondContact O-N 3.45Å; A6-V8 PolarHBondContact O-N 3.2Å
7S71.3Confident75.2Confident46 Ų4676.5 Ų76.532%0.32245%0.445SS..  trans-58.8120.1179.853.90000108.7S5 R9S5-S7 PolarHBondContact O-N 2.94Å; S5-S7 VanDerWaalsContact O-N 3.08Å; S7-R9 PolarHBondContact O-N 2.94Å; S7-R9 PolarHBondContact OG-NE 2.8Å; S7-R9 VanDerWaalsContact OG-NE 3.17Å
8V88.2Confident76.6Confident58 Ų5872.3 Ų72.335%0.35242%0.42SS..  trans-72.9115.6174.9-177.60000107.6A6 N32 G443A6-V8 PolarHBondContact O-N 3.2Å; V8-N32 PolarHBondContact O-N 2.66Å; V8-N32 VanDerWaalsContact O-N 3.08Å; V8-G443 VanDerWaalsContact CG1-O 3.27Å; V8-G443 WeakPolarHBondContact CG1-O 3.32Å
9R96.4Very high77.7Confident67 Ų6768.7 Ų68.725%0.25340%0.399SS..EExtended strand (participates in β ladder)trans-125.1131-178.3-68.6176-179.5163.11.5109.9S7 Y29 I30 E31 A48 K49S7-R9 PolarHBondContact O-N 2.94Å; S7-R9 PolarHBondContact OG-NE 2.8Å; S7-R9 VanDerWaalsContact OG-NE 3.17Å; R9-Y29 HydrophobicContact CB-CE2 4.33Å; R9-Y29 WeakPolarHBondContact CD-OH 3.19Å; R9-Y29 HydrophobicContact CG-CE2 4.5Å; R9-I30 WeakPolarHBondContact CA-O 3.47Å; R9-E31 HydrophobicContact CG-CB 4.38Å; R9-E31 HydrophobicContact CG-CG 3.94Å; R9-E31 IonicContact CZ-OE1 2.73Å; R9-E31 VanDerWaalsContact CZ-OE1 3.28Å; R9-E31 IonicContact NE-OE1 2.66Å; R9-E31 PolarHBondContact NE-OE1 3.34Å; R9-E31 IonicContact NH2-OE1 3.34Å; R9-E31 PolarHBondContact NH2-OE1 2.97Å; R9-A48 HydrophobicContact CB-CB 3.75Å; R9-A48 WeakPolarHBondContact O-CA 3.35Å; R9-K49 PolarHBondContact O-N 2.87Å
10I97.7Very high78.8Confident4 Ų466.9 Ų66.92%0.02139%0.388CS..EExtended strand (participates in β ladder)trans-132.2138178.8-59.5171.2000108.3I12 I30 K49 I51 I440 G443 V445I10-I12 HydrophobicContact CG2-CG1 4.33Å; I10-I30 HydrophobicContact CB-CB 4.19Å; I10-I30 PolarHBondContact N-O 2.85Å; I10-I30 PolarHBondContact O-N 2.93Å; I10-K49 CarbonylContact C-O 3.55Å; I10-K49 WeakPolarHBondContact CA-O 3.47Å; I10-I51 HydrophobicContact CG2-CD1 3.47Å; I10-I51 VanDerWaalsContact CG2-CD1 3.47Å; I10-I51 HydrophobicContact CG2-CG1 4.16Å; I10-I440 HydrophobicContact CD1-CD1 4.29Å; I10-I440 HydrophobicContact CD1-CG2 4.21Å; I10-I440 HydrophobicContact CG2-CD1 4.16Å; I10-G443 VanDerWaalsContact CD1-O 3.24Å; I10-G443 WeakPolarHBondContact CD1-O 3.49Å; I10-V445 HydrophobicContact CD1-CG2 3.78Å
11L98.1Very high79.7Confident9 Ų968.1 Ų68.15%0.04739%0.393CS..EExtended strand (participates in β ladder)trans-118.8116.2168.4-178.365.1000108.8K13 D27 L42 I44 K49 V50 I51L11-K13 HydrophobicContact CD2-CD 4.47Å; L11-K13 HydrophobicContact CG-CB 4.44Å; L11-D27 HydrophobicContact CD1-CB 4.17Å; L11-L42 HydrophobicContact CD1-CB 4.44Å; L11-L42 HydrophobicContact CD1-CD1 4.41Å; L11-I44 HydrophobicContact CB-CD1 3.65Å; L11-I44 HydrophobicContact CD1-CD1 4.15Å; L11-I44 HydrophobicContact CD1-CG2 4.3Å; L11-I44 HydrophobicContact CD2-CD1 3.77Å; L11-I44 HydrophobicContact CD2-CG1 4.12Å; L11-I44 HydrophobicContact CG-CD1 4.05Å; L11-K49 PolarHBondContact N-O 3.08Å; L11-V50 HydrophobicContact CB-CG2 4.48Å; L11-V50 CarbonylContact O-C 3.59Å; L11-V50 WeakPolarHBondContact O-CA 3.37Å; L11-I51 PolarHBondContact O-N 2.84Å
12I98.3Very high82.8Confident1 Ų158.9 Ų58.91%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-90119.2168.5-50.5174.3000106.6I10 D27 V28 I30 I51 A53 V58 V402 V404 I440I10-I12 HydrophobicContact CG2-CG1 4.33Å; I12-D27 CarbonylContact O-C 3.56Å; I12-D27 WeakPolarHBondContact O-CA 3.42Å; I12-D27 WeakPolarHBondContact O-CB 3.36Å; I12-V28 HydrophobicContact CB-CB 4.23Å; I12-V28 HydrophobicContact CD1-CB 4.36Å; I12-V28 PolarHBondContact N-O 3.01Å; I12-V28 PolarHBondContact O-N 3.38Å; I12-I30 HydrophobicContact CD1-CD1 4.17Å; I12-I51 WeakPolarHBondContact CA-O 3.48Å; I12-I51 HydrophobicContact CG1-CD1 4.45Å; I12-A53 HydrophobicContact CG2-CB 3.56Å; I12-V58 HydrophobicContact CD1-CG1 4.02Å; I12-V58 HydrophobicContact CG2-CG1 4.36Å; I12-V58 HydrophobicContact CG2-CG2 3.72Å; I12-V402 HydrophobicContact CD1-CB 4.31Å; I12-V402 HydrophobicContact CD1-CG1 3.64Å; I12-V404 HydrophobicContact CD1-CG2 4.3Å; I12-V404 HydrophobicContact CG2-CG2 3.85Å; I12-I440 HydrophobicContact CD1-CD1 3.78Å; I12-I440 HydrophobicContact CG1-CD1 4.2Å
13K97.9Very high85.8Confident98 Ų9852.8 Ų52.843%0.42632%0.322SS..EExtended strand (participates in β ladder)trans-119.7139-169.2-175.1166.8-178.8145.40112.4L11 G15 D27 V50 I51 A53L11-K13 HydrophobicContact CD2-CD 4.47Å; L11-K13 HydrophobicContact CG-CB 4.44Å; K13-G15 VanDerWaalsContact C-N 3.34Å; K13-G15 PolarHBondContact O-N 3.19Å; K13-D27 VanDerWaalsContact CA-OD1 3.3Å; K13-D27 WeakPolarHBondContact CA-OD1 3.44Å; K13-D27 WeakPolarHBondContact CG-OD1 3.17Å; K13-V50 HydrophobicContact CB-CG1 4.27Å; K13-I51 PolarHBondContact N-O 2.84Å; K13-A53 WeakPolarHBondContact O-CA 3.33Å; K13-A53 PolarHBondContact O-N 3.43Å
14G96.4Very high88.8Confident36 Ų3651.6 Ų51.637%0.37130%0.299SS..SBendtrans79.84.7170.100000116.3D27 T54G14-D27 PolarHBondContact N-OD1 3.2Å; G14-T54 WeakPolarHBondContact O-CA 3.24Å
15G98Very high91.8Very high1 Ų148.6 Ų48.61%0.0128%0.28CS..  trans-86.1172.9-178.900000114.7K13 A26 A53K13-G15 VanDerWaalsContact C-N 3.34Å; K13-G15 PolarHBondContact O-N 3.19Å; G15-A26 PolarHBondContact O-N 2.7Å; G15-A53 WeakPolarHBondContact CA-O 3.33Å
16K98.7Very high94.5Very high94 Ų9443.3 Ų43.341%0.40924%0.243SC..EExtended strand (participates in β ladder)trans-99.9114167.9-66.9179.6-176.5177.20109.4V18 T23 H24 E25 K56 L57 V58K16-V18 PolarHBondContact O-N 3.18Å; K16-T23 HydrophobicContact CB-CG2 4Å; K16-T23 HydrophobicContact CD-CG2 4.42Å; K16-H24 CarbonylContact C-O 3.59Å; K16-H24 WeakPolarHBondContact CA-O 3.3Å; K16-E25 HydrophobicContact CG-CG 4.02Å; K16-K56 PolarHBondContact N-O 2.86Å; K16-L57 HydrophobicContact CB-CD2 3.99Å; K16-L57 HydrophobicContact CD-CD2 4.4Å; K16-L57 CarbonylContact O-C 3.56Å; K16-L57 WeakPolarHBondContact O-CA 3.36Å; K16-V58 PolarHBondContact O-N 2.84Å
17V98.8Very high96.4Very high0 Ų039.8 Ų39.80%021%0.213CC..EExtended strand (participates in β ladder)trans-72.5121.5171.8174.50000108.5T23 H24 A26 V28 V38 V58 I394V17-T23 WeakPolarHBondContact O-CA 3.28Å; V17-H24 PolarHBondContact N-O 2.86Å; V17-H24 PolarHBondContact O-N 2.87Å; V17-A26 HydrophobicContact CG2-CB 3.93Å; V17-V28 HydrophobicContact CG2-CG2 3.68Å; V17-V38 HydrophobicContact CG2-CG1 4.18Å; V17-V58 WeakPolarHBondContact CA-O 3.33Å; V17-V58 HydrophobicContact CG2-CB 4.24Å; V17-I394 HydrophobicContact CG1-CB 3.66Å; V17-I394 HydrophobicContact CG1-CG1 4.23Å; V17-I394 HydrophobicContact CG1-CG2 3.67Å; V17-I394 HydrophobicContact CG2-CG2 4.19Å
18V98.9Very high97.7Very high0 Ų037.6 Ų37.60%020%0.198CC..EExtended strand (participates in β ladder)trans-114.2113.3177.9-178.80000107.9K16 T23 L57 V58 I59 P60 E370 V374K16-V18 PolarHBondContact O-N 3.18Å; V18-T23 HydrophobicContact CG2-CG2 3.84Å; V18-L57 HydrophobicContact CG2-CB 4.12Å; V18-L57 HydrophobicContact CG2-CD1 4.26Å; V18-L57 HydrophobicContact CG2-CD2 3.92Å; V18-L57 HydrophobicContact CG2-CG 4.31Å; V18-V58 PolarHBondContact N-O 3.32Å; V18-V58 VanDerWaalsContact N-O 3.08Å; V18-I59 HydrophobicContact CB-CG2 3.85Å; V18-I59 HydrophobicContact CG1-CG2 4.43Å; V18-I59 HydrophobicContact CG2-CG2 4.44Å; V18-P60 WeakPolarHBondContact O-CD 3.36Å; V18-E370 HydrophobicContact CG1-CB 3.97Å; V18-E370 HydrophobicContact CG1-CG 3.78Å; V18-E370 HydrophobicContact CG2-CG 4.33Å; V18-V374 HydrophobicContact CB-CG2 4.38Å; V18-V374 HydrophobicContact CG1-CG2 3.81Å
19N98.9Very high98.2Very high4 Ų435 Ų352%0.02118%0.182CC..  trans-106.7177.5169.3-77.7-49.3000109.9D21 C22 N371 R393 I394N19-D21 WeakPolarHBondContact CB-OD1 3.47Å; N19-D21 PolarHBondContact O-N 2.84Å; N19-C22 PolarHBondContact N-O 3.33Å; N19-N371 WeakPolarHBondContact O-CA 3.23Å; N19-N371 WeakPolarHBondContact O-CB 3.26Å; N19-N371 PolarHBondContact O-ND2 2.85Å; N19-R393 WeakPolarHBondContact OD1-CA 3.39Å; N19-R393 WeakPolarHBondContact OD1-CG 3.37Å; N19-I394 PolarHBondContact ND2-O 3.38Å; N19-I394 VanDerWaalsContact ND2-O 3.09Å; N19-I394 PolarHBondContact OD1-N 3.22Å
20D98.5Very high98.3Very high33 Ų3331.9 Ų31.918%0.17617%0.17CC..SBendtrans-67.4-15.5178.862.8-47.4000114.5N371 V374 A375 K383 R393D20-N371 WeakPolarHBondContact CA-O 3.38Å; D20-V374 HydrophobicContact CB-CG1 4.47Å; D20-A375 HydrophobicContact CB-CB 3.88Å; D20-K383 IonicContact OD2-NZ 2.68Å; D20-K383 PolarHBondContact OD2-NZ 3.41Å; D20-R393 IonicContact OD1-NH1 2.9Å; D20-R393 PolarHBondContact OD1-NH1 2.88Å
21D98.4Very high98.2Very high92 Ų9233.3 Ų33.349%0.49218%0.176SC..SBendtrans-106.9-35.8-177.760.2-40.9000114.4N19 R393N19-D21 WeakPolarHBondContact CB-OD1 3.47Å; N19-D21 PolarHBondContact O-N 2.84Å; D21-R393 IonicContact OD1-CZ 3.68Å; D21-R393 VanDerWaalsContact OD1-CZ 3.27Å; D21-R393 IonicContact OD1-NH1 2.74Å; D21-R393 PolarHBondContact OD1-NH1 2.8Å; D21-R393 IonicContact OD1-NH2 2.87Å; D21-R393 PolarHBondContact OD1-NH2 2.8Å; D21-R393 IonicContact OD2-CZ 2.74Å; D21-R393 IonicContact OD2-NH1 3.64Å; D21-R393 IonicContact OD2-NH2 3.75Å; D21-R393 PolarHBondContact OD2-NH2 3.25Å
22C98.3Very high98.1Very high53 Ų5338 Ų3836%0.35820%0.201SC..  trans-158164179.572.50000113.8N19 N371N19-C22 PolarHBondContact N-O 3.33Å; C22-N371 PolarHBondContact O-ND2 3.42Å
23T98.7Very high98Very high47 Ų4738.5 Ų38.529%0.28821%0.207SC..EExtended strand (participates in β ladder)trans-113.8135.4170.3-61.70000110.4K16 V17 V18 E370 N371K16-T23 HydrophobicContact CB-CG2 4Å; K16-T23 HydrophobicContact CD-CG2 4.42Å; V17-T23 WeakPolarHBondContact O-CA 3.28Å; V18-T23 HydrophobicContact CG2-CG2 3.84Å; T23-E370 WeakPolarHBondContact CB-OE1 3.47Å; T23-E370 WeakPolarHBondContact CG2-OE1 3.22Å; T23-E370 PolarHBondContact OG1-OE1 3.26Å; T23-N371 PolarHBondContact N-ND2 3.32Å; T23-N371 PolarHBondContact OG1-ND2 3.39Å
24H98.3Very high98Very high76 Ų7636.3 Ų36.335%0.35220%0.2SC..EExtended strand (participates in β ladder)trans-151.4152.3174.860-76.6000111.7K16 V17 A26K16-H24 CarbonylContact C-O 3.59Å; K16-H24 WeakPolarHBondContact CA-O 3.3Å; V17-H24 PolarHBondContact N-O 2.86Å; V17-H24 PolarHBondContact O-N 2.87Å; H24-A26 PolarHBondContact O-N 3.2Å
25E98.3Very high98.1Very high104 Ų10434.6 Ų34.649%0.48618%0.182SC..EExtended strand (participates in β ladder)trans-75124.4173.6-66.3171.9165.800110.5K16 R40K16-E25 HydrophobicContact CG-CG 4.02Å; E25-R40 VanDerWaalsContact O-CG 3.28Å; E25-R40 WeakPolarHBondContact O-CG 3.43Å; E25-R40 PolarHBondContact O-NE 3.17Å; E25-R40 IonicContact OE2-CZ 3.28Å; E25-R40 IonicContact OE2-NH2 2.87Å; E25-R40 PolarHBondContact OE2-NH2 3.17Å
26A98.3Very high98.1Very high4 Ų438.7 Ų38.73%0.03320%0.201CC..  trans-161.2148.5177.500000111.1G15 V17 H24 V38G15-A26 PolarHBondContact O-N 2.7Å; V17-A26 HydrophobicContact CG2-CB 3.93Å; H24-A26 PolarHBondContact O-N 3.2Å; A26-V38 HydrophobicContact CB-CG1 3.8Å
27D98.4Very high98Very high9 Ų938.3 Ų38.35%0.04820%0.2CC..EExtended strand (participates in β ladder)trans-80.5153162.6-55-26000109.5L11 I12 K13 G14 V38 G39 E41 L42L11-D27 HydrophobicContact CD1-CB 4.17Å; I12-D27 CarbonylContact O-C 3.56Å; I12-D27 WeakPolarHBondContact O-CA 3.42Å; I12-D27 WeakPolarHBondContact O-CB 3.36Å; K13-D27 VanDerWaalsContact CA-OD1 3.3Å; K13-D27 WeakPolarHBondContact CA-OD1 3.44Å; K13-D27 WeakPolarHBondContact CG-OD1 3.17Å; G14-D27 PolarHBondContact N-OD1 3.2Å; D27-V38 WeakPolarHBondContact O-CA 3.3Å; D27-G39 WeakPolarHBondContact CA-O 3.45Å; D27-G39 WeakPolarHBondContact CB-O 3.42Å; D27-G39 PolarHBondContact N-O 2.69Å; D27-G39 PolarHBondContact O-N 2.94Å; D27-E41 WeakPolarHBondContact OD2-CA 3.18Å; D27-E41 PolarHBondContact OD2-N 2.8Å; D27-L42 HydrophobicContact CB-CB 4.34Å; D27-L42 HydrophobicContact CB-CD1 3.89Å; D27-L42 HydrophobicContact CB-CG 3.94Å; D27-L42 WeakPolarHBondContact O-CD1 3.47Å; D27-L42 PolarHBondContact OD2-N 3.29Å
28V98.6Very high98Very high0 Ų040 Ų400%021%0.211CC..EExtended strand (participates in β ladder)trans-124.8114.4178-176.30000109.1I12 V17 I30 I35 V38 V58 I394I12-V28 HydrophobicContact CB-CB 4.23Å; I12-V28 HydrophobicContact CD1-CB 4.36Å; I12-V28 PolarHBondContact N-O 3.01Å; I12-V28 PolarHBondContact O-N 3.38Å; V17-V28 HydrophobicContact CG2-CG2 3.68Å; V28-I30 HydrophobicContact CG1-CG1 4.25Å; V28-I35 HydrophobicContact CG1-CD1 4.49Å; V28-I35 HydrophobicContact CG1-CG1 4.35Å; V28-I35 HydrophobicContact CG1-CG2 3.84Å; V28-V38 HydrophobicContact CG1-CG2 4.4Å; V28-V38 HydrophobicContact CG2-CG1 4.48Å; V28-V38 HydrophobicContact CG2-CG2 4.45Å; V28-V58 HydrophobicContact CG2-CG1 3.98Å; V28-I394 HydrophobicContact CG1-CG2 4.23Å; V28-I394 HydrophobicContact CG2-CG2 3.8Å
29Y98.4Very high97.9Very high4 Ų441 Ų412%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-95.8125.2175.3177.8-124.5000110.7R9 E31 Q36 Q37 I44R9-Y29 HydrophobicContact CB-CE2 4.33Å; R9-Y29 WeakPolarHBondContact CD-OH 3.19Å; R9-Y29 HydrophobicContact CG-CE2 4.5Å; Y29-E31 HydrophobicContact CE1-CB 4.15Å; Y29-E31 PolarHBondContact OH-OE2 3.04Å; Y29-Q36 HydrophobicContact CD1-CB 3.6Å; Y29-Q36 HydrophobicContact CD1-CG 4.2Å; Y29-Q36 HydrophobicContact CE1-CB 3.95Å; Y29-Q36 HydrophobicContact CE1-CG 4.09Å; Y29-Q36 PolarHBondContact O-N 3.28Å; Y29-Q37 PolarHBondContact N-O 3.18Å; Y29-Q37 PolarHBondContact O-N 3.42Å; Y29-I44 HydrophobicContact CD1-CG2 4.02Å; Y29-I44 HydrophobicContact CD2-CB 4.02Å; Y29-I44 HydrophobicContact CD2-CD1 3.67Å; Y29-I44 HydrophobicContact CD2-CG1 4.48Å; Y29-I44 HydrophobicContact CD2-CG2 3.69Å; Y29-I44 HydrophobicContact CE2-CB 4.09Å; Y29-I44 HydrophobicContact CE2-CD1 3.78Å; Y29-I44 HydrophobicContact CE2-CG2 4.24Å; Y29-I44 HydrophobicContact CG-CB 4.33Å; Y29-I44 HydrophobicContact CG-CG2 3.58Å
30I98Very high97.8Very high0 Ų049 Ų490%025%0.251CS..EExtended strand (participates in β ladder)trans-117.1132-178.8-66.4161.9000108.7R9 I10 I12 V28 I34 I35 A400 V402 I440R9-I30 WeakPolarHBondContact CA-O 3.47Å; I10-I30 HydrophobicContact CB-CB 4.19Å; I10-I30 PolarHBondContact N-O 2.85Å; I10-I30 PolarHBondContact O-N 2.93Å; I12-I30 HydrophobicContact CD1-CD1 4.17Å; V28-I30 HydrophobicContact CG1-CG1 4.25Å; I30-I34 WeakPolarHBondContact CA-O 3.48Å; I30-I35 HydrophobicContact CG1-CG1 4.29Å; I30-A400 HydrophobicContact CB-CB 4.24Å; I30-A400 HydrophobicContact CD1-CB 3.99Å; I30-A400 HydrophobicContact CG1-CB 3.85Å; I30-A400 HydrophobicContact CG2-CB 3.38Å; I30-V402 HydrophobicContact CD1-CG2 4.27Å; I30-I440 HydrophobicContact CD1-CD1 4.03Å; I30-I440 HydrophobicContact CD1-CG2 4.42Å
31E97Very high97.5Very high34 Ų3455.4 Ų55.416%0.15928%0.28CS..EExtended strand (participates in β ladder)trans-141.8132.2173.5-175.9164.8-161.500110R9 Y29 G33 I34 Q36R9-E31 HydrophobicContact CG-CB 4.38Å; R9-E31 HydrophobicContact CG-CG 3.94Å; R9-E31 IonicContact CZ-OE1 2.73Å; R9-E31 VanDerWaalsContact CZ-OE1 3.28Å; R9-E31 IonicContact NE-OE1 2.66Å; R9-E31 PolarHBondContact NE-OE1 3.34Å; R9-E31 IonicContact NH2-OE1 3.34Å; R9-E31 PolarHBondContact NH2-OE1 2.97Å; Y29-E31 HydrophobicContact CE1-CB 4.15Å; Y29-E31 PolarHBondContact OH-OE2 3.04Å; E31-G33 PolarHBondContact O-N 2.89Å; E31-I34 PolarHBondContact N-O 2.83Å; E31-I34 PolarHBondContact O-N 2.9Å; E31-I34 VanDerWaalsContact O-N 3.13Å; E31-Q36 HydrophobicContact CB-CG 3.62Å; E31-Q36 PolarHBondContact O-NE2 2.94Å
32N94.5Very high97.4Very high107 Ų10752.2 Ų52.257%0.57226%0.262SS*.THydrogen-bonded Turntrans54.237.1175.5-58.8-35.6000113.9V8V8-N32 PolarHBondContact O-N 2.66Å; V8-N32 VanDerWaalsContact O-N 3.08Å
33G96.1Very high97Very high13 Ų1358.2 Ų58.213%0.13429%0.288CS..THydrogen-bonded Turntrans84.54.8176.700000115.6E31 A400 R442E31-G33 PolarHBondContact O-N 2.89Å; G33-A400 WeakPolarHBondContact O-CB 3.31Å; G33-A400 PolarHBondContact O-N 3.29Å; G33-R442 VanDerWaalsContact CA-O 3.32Å; G33-R442 WeakPolarHBondContact CA-O 3.45Å
34I98.2Very high96.5Very high52 Ų5258 Ų5827%0.26728%0.284SS..EExtended strand (participates in β ladder)trans-123.7142.5-177.8-58.4-62.3000109.7I30 E31 Q36 A398I30-I34 WeakPolarHBondContact CA-O 3.48Å; E31-I34 PolarHBondContact N-O 2.83Å; E31-I34 PolarHBondContact O-N 2.9Å; E31-I34 VanDerWaalsContact O-N 3.13Å; I34-Q36 PolarHBondContact O-N 2.84Å; I34-A398 WeakPolarHBondContact CA-O 3.5Å
35I98.5Very high95.9Very high0 Ų057.5 Ų57.50%029%0.288CS..EExtended strand (participates in β ladder)trans-71.8114.4168.6-60.3174.7000107.7V28 I30 V38 I394 P396 G397 A398 A400 V402V28-I35 HydrophobicContact CG1-CD1 4.49Å; V28-I35 HydrophobicContact CG1-CG1 4.35Å; V28-I35 HydrophobicContact CG1-CG2 3.84Å; I30-I35 HydrophobicContact CG1-CG1 4.29Å; I35-V38 HydrophobicContact CG2-CG2 3.66Å; I35-I394 HydrophobicContact CD1-CD1 4.07Å; I35-I394 HydrophobicContact CD1-CG2 4.2Å; I35-P396 CarbonylContact O-C 3.56Å; I35-P396 VanDerWaalsContact O-CA 3.32Å; I35-P396 WeakPolarHBondContact O-CA 3.32Å; I35-G397 PolarHBondContact O-N 3.11Å; I35-A398 HydrophobicContact CD1-CB 4.34Å; I35-A398 PolarHBondContact N-O 3.43Å; I35-A400 HydrophobicContact CG1-CB 4.24Å; I35-V402 HydrophobicContact CD1-CG2 4.12Å
36Q97.9Very high95.4Very high87 Ų8755.7 Ų55.741%0.40730%0.297SS..EExtended strand (participates in β ladder)trans-90.3-40.4-177.9-66.2-60.7-28.100112.2Y29 E31 I34Y29-Q36 HydrophobicContact CD1-CB 3.6Å; Y29-Q36 HydrophobicContact CD1-CG 4.2Å; Y29-Q36 HydrophobicContact CE1-CB 3.95Å; Y29-Q36 HydrophobicContact CE1-CG 4.09Å; Y29-Q36 PolarHBondContact O-N 3.28Å; E31-Q36 HydrophobicContact CB-CG 3.62Å; E31-Q36 PolarHBondContact O-NE2 2.94Å; I34-Q36 PolarHBondContact O-N 2.84Å
37Q97.7Very high95Very high85 Ų8559.4 Ų59.440%0.39734%0.335SS..EExtended strand (participates in β ladder)trans-144.3145.9-177.5-60.5-177.828.100110.5Y29 L42Y29-Q37 PolarHBondContact N-O 3.18Å; Y29-Q37 PolarHBondContact O-N 3.42Å; Q37-L42 HydrophobicContact CB-CD1 3.92Å; Q37-L42 HydrophobicContact CB-CD2 4.26Å
38V98.4Very high94.8Very high36 Ų3659.9 Ų59.922%0.21834%0.341CS..EExtended strand (participates in β ladder)trans-133.3122.2170.4-178.40000106.4V17 A26 D27 V28 I35 I394 P396V17-V38 HydrophobicContact CG2-CG1 4.18Å; A26-V38 HydrophobicContact CB-CG1 3.8Å; D27-V38 WeakPolarHBondContact O-CA 3.3Å; V28-V38 HydrophobicContact CG1-CG2 4.4Å; V28-V38 HydrophobicContact CG2-CG1 4.48Å; V28-V38 HydrophobicContact CG2-CG2 4.45Å; I35-V38 HydrophobicContact CG2-CG2 3.66Å; V38-I394 HydrophobicContact CG2-CG2 4.05Å; V38-P396 HydrophobicContact CG2-CG 4.34Å
39G97.5Very high94.7Very high21 Ų2163.8 Ų63.822%0.21636%0.358CS..EExtended strand (participates in β ladder)trans174.9170.9-176.800000112.3D27 L42D27-G39 WeakPolarHBondContact CA-O 3.45Å; D27-G39 WeakPolarHBondContact CB-O 3.42Å; D27-G39 PolarHBondContact N-O 2.69Å; D27-G39 PolarHBondContact O-N 2.94Å; G39-L42 WeakPolarHBondContact O-CG 3.41Å
40R96Very high94.6Very high172 Ų17267.9 Ų67.965%0.64938%0.383SS*.THydrogen-bonded Turntrans-80.3142.5178.6-68.4179.3168-169.8-12.2110.9E25 L42E25-R40 VanDerWaalsContact O-CG 3.28Å; E25-R40 WeakPolarHBondContact O-CG 3.43Å; E25-R40 PolarHBondContact O-NE 3.17Å; E25-R40 IonicContact OE2-CZ 3.28Å; E25-R40 IonicContact OE2-NH2 2.87Å; E25-R40 PolarHBondContact OE2-NH2 3.17Å; R40-L42 VanDerWaalsContact C-N 3.34Å; R40-L42 PolarHBondContact O-N 3.23Å
41E93Very high94.6Very high167 Ų16768.2 Ų68.278%0.7838%0.384SS*.THydrogen-bonded Turntrans51.948.8171.2-58.9-178.7173.400113.1D27 M43D27-E41 WeakPolarHBondContact OD2-CA 3.18Å; D27-E41 PolarHBondContact OD2-N 2.8Å; E41-M43 PolarHBondContact O-N 3.08Å
42L95.1Very high94.6Very high25 Ų2572 Ų7213%0.13141%0.406CS..  trans-62.6128-173.7-66.1178.9000111.7L11 D27 Q37 G39 R40 I44L11-L42 HydrophobicContact CD1-CB 4.44Å; L11-L42 HydrophobicContact CD1-CD1 4.41Å; D27-L42 HydrophobicContact CB-CB 4.34Å; D27-L42 HydrophobicContact CB-CD1 3.89Å; D27-L42 HydrophobicContact CB-CG 3.94Å; D27-L42 WeakPolarHBondContact O-CD1 3.47Å; D27-L42 PolarHBondContact OD2-N 3.29Å; Q37-L42 HydrophobicContact CB-CD1 3.92Å; Q37-L42 HydrophobicContact CB-CD2 4.26Å; G39-L42 WeakPolarHBondContact O-CG 3.41Å; R40-L42 VanDerWaalsContact C-N 3.34Å; R40-L42 PolarHBondContact O-N 3.23Å; L42-I44 HydrophobicContact CB-CG2 4.04Å
43M90.1Very high94.7Very high180 Ų18066.9 Ų66.989%0.88738%0.378SS*.  trans-87.6110.2167.2-66.3-171-67.700109.1E41E41-M43 PolarHBondContact O-N 3.08Å
44I88.2Confident94.8Very high42 Ų4270.5 Ų70.522%0.21540%0.398CS..  trans-119.6159.6-176.563.6156.9000111.9L11 Y29 L42 A48L11-I44 HydrophobicContact CB-CD1 3.65Å; L11-I44 HydrophobicContact CD1-CD1 4.15Å; L11-I44 HydrophobicContact CD1-CG2 4.3Å; L11-I44 HydrophobicContact CD2-CD1 3.77Å; L11-I44 HydrophobicContact CD2-CG1 4.12Å; L11-I44 HydrophobicContact CG-CD1 4.05Å; Y29-I44 HydrophobicContact CD1-CG2 4.02Å; Y29-I44 HydrophobicContact CD2-CB 4.02Å; Y29-I44 HydrophobicContact CD2-CD1 3.67Å; Y29-I44 HydrophobicContact CD2-CG1 4.48Å; Y29-I44 HydrophobicContact CD2-CG2 3.69Å; Y29-I44 HydrophobicContact CE2-CB 4.09Å; Y29-I44 HydrophobicContact CE2-CD1 3.78Å; Y29-I44 HydrophobicContact CE2-CG2 4.24Å; Y29-I44 HydrophobicContact CG-CB 4.33Å; Y29-I44 HydrophobicContact CG-CG2 3.58Å; L42-I44 HydrophobicContact CB-CG2 4.04Å; I44-A48 HydrophobicContact CD1-CB 3.51Å
45P85.4Confident94.7Very high65 Ų6570.7 Ų70.742%0.42241%0.413SS..  trans-56.7146.9171-22.934.1000112
46G87.5Confident94.7Very high66 Ų6673 Ų7368%0.6842%0.423SS*.THydrogen-bonded Turntrans-61.6161.217600000113.7
47G90.8Very high94.8Very high82 Ų8269.2 Ų69.285%0.84541%0.405SS*.THydrogen-bonded Turntrans903.9176.100000115.7
48A94.5Very high94.8Very high19 Ų1965.2 Ų65.216%0.15739%0.386CS..PPolyproline II helixtrans-75.6140.6172.800000111.8R9 I44 V50R9-A48 HydrophobicContact CB-CB 3.75Å; R9-A48 WeakPolarHBondContact O-CA 3.35Å; I44-A48 HydrophobicContact CD1-CB 3.51Å; A48-V50 PolarHBondContact O-N 2.86Å
49K95.5Very high94.9Very high83 Ų8363.5 Ų63.536%0.36138%0.376SS..EExtended strand (participates in β ladder)trans-68.3120.3166177.5176.1175.9178.10108.3R9 I10 L11 V445 E448R9-K49 PolarHBondContact O-N 2.87Å; I10-K49 CarbonylContact C-O 3.55Å; I10-K49 WeakPolarHBondContact CA-O 3.47Å; L11-K49 PolarHBondContact N-O 3.08Å; K49-V445 HydrophobicContact CD-CG2 4.18Å; K49-E448 WeakPolarHBondContact CE-OE1 3.43Å; K49-E448 IonicContact NZ-OE1 3.61Å; K49-E448 PolarHBondContact NZ-OE1 3.32Å; K49-E448 IonicContact NZ-OE2 3.71Å; K49-E448 PolarHBondContact NZ-OE2 3.1Å
50V96.4Very high94.9Very high89 Ų8962.7 Ų62.754%0.53937%0.367SS..EExtended strand (participates in β ladder)trans-89.2126.8175.4-176.60000109L11 K13 A48L11-V50 HydrophobicContact CB-CG2 4.48Å; L11-V50 CarbonylContact O-C 3.59Å; L11-V50 WeakPolarHBondContact O-CA 3.37Å; K13-V50 HydrophobicContact CB-CG1 4.27Å; A48-V50 PolarHBondContact O-N 2.86Å
51I97.4Very high95.1Very high7 Ų754.6 Ų54.64%0.03634%0.337CS..EExtended strand (participates in β ladder)trans-109.8116.1171.6-61.5165.7000106.5I10 L11 I12 K13 A53 V404 V438 I440 V445I10-I51 HydrophobicContact CG2-CD1 3.47Å; I10-I51 VanDerWaalsContact CG2-CD1 3.47Å; I10-I51 HydrophobicContact CG2-CG1 4.16Å; L11-I51 PolarHBondContact O-N 2.84Å; I12-I51 WeakPolarHBondContact CA-O 3.48Å; I12-I51 HydrophobicContact CG1-CD1 4.45Å; K13-I51 PolarHBondContact N-O 2.84Å; I51-A53 PolarHBondContact O-N 2.81Å; I51-V404 HydrophobicContact CG2-CG2 4.06Å; I51-V438 HydrophobicContact CD1-CG1 4.1Å; I51-V438 HydrophobicContact CG2-CG2 3.98Å; I51-I440 HydrophobicContact CD1-CD1 3.83Å; I51-V445 HydrophobicContact CD1-CG2 3.96Å
52D97.3Very high95.4Very high113 Ų11346.6 Ų46.660%0.60430%0.3SS*.EExtended strand (participates in β ladder)trans-76.8115.6174.9-174.56.5000109.8T54D52-T54 WeakPolarHBondContact OD1-CB 3.35Å; D52-T54 PolarHBondContact OD1-N 3.39Å; D52-T54 PolarHBondContact OD1-OG1 3.13Å
53A98.2Very high95.5Very high0 Ų045.5 Ų45.50%029%0.294CS..  trans-11119.3176.700000111.5I12 K13 G15 I51 G55 K56 V58 V404I12-A53 HydrophobicContact CG2-CB 3.56Å; K13-A53 WeakPolarHBondContact O-CA 3.33Å; K13-A53 PolarHBondContact O-N 3.43Å; G15-A53 WeakPolarHBondContact CA-O 3.33Å; I51-A53 PolarHBondContact O-N 2.81Å; A53-G55 PolarHBondContact O-N 3.27Å; A53-K56 HydrophobicContact CB-CB 4.31Å; A53-K56 WeakPolarHBondContact O-CA 3.45Å; A53-K56 VanDerWaalsContact O-CB 3.3Å; A53-K56 WeakPolarHBondContact O-CB 3.3Å; A53-K56 PolarHBondContact O-N 3.21Å; A53-V58 HydrophobicContact CB-CG2 4.02Å; A53-V404 HydrophobicContact CB-CG1 3.86Å
54T97.6Very high96Very high90 Ų9036.9 Ų36.955%0.55225%0.252SS*.THydrogen-bonded Turntrans-53.3122.7178-59.40000111.2G14 D52 K56G14-T54 WeakPolarHBondContact O-CA 3.24Å; D52-T54 WeakPolarHBondContact OD1-CB 3.35Å; D52-T54 PolarHBondContact OD1-N 3.39Å; D52-T54 PolarHBondContact OD1-OG1 3.13Å; T54-K56 PolarHBondContact O-N 2.95Å
55G96.6Very high96.5Very high55 Ų5534.9 Ų34.957%0.56724%0.241SC*.THydrogen-bonded Turntrans70.810.8-177.100000114.8A53A53-G55 PolarHBondContact O-N 3.27Å
56K98.5Very high97.1Very high49 Ų4932 Ų3221%0.21322%0.223CC..  trans-110.9163.2177.7-47-57.5163.2-160.20110.8K16 A53 T54 V404 D406 L437K16-K56 PolarHBondContact N-O 2.86Å; A53-K56 HydrophobicContact CB-CB 4.31Å; A53-K56 WeakPolarHBondContact O-CA 3.45Å; A53-K56 VanDerWaalsContact O-CB 3.3Å; A53-K56 WeakPolarHBondContact O-CB 3.3Å; A53-K56 PolarHBondContact O-N 3.21Å; T54-K56 PolarHBondContact O-N 2.95Å; K56-V404 HydrophobicContact CB-CG1 3.87Å; K56-V404 HydrophobicContact CG-CG1 4.27Å; K56-D406 HydrophobicContact CD-CB 3.78Å; K56-D406 VanDerWaalsContact CE-OD2 3.28Å; K56-D406 WeakPolarHBondContact CE-OD2 3.44Å; K56-D406 IonicContact NZ-OD1 3.43Å; K56-D406 PolarHBondContact NZ-OD1 3.03Å; K56-D406 IonicContact NZ-OD2 2.88Å; K56-D406 PolarHBondContact NZ-OD2 3.36Å; K56-L437 HydrophobicContact CD-CD1 4Å; K56-L437 HydrophobicContact CG-CD1 4.28Å
57L98.8Very high97.6Very high8 Ų828.9 Ų28.94%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-93.8146173.3-49.9-178.8000109.8K16 V18 I59 W359 E370 V404 W405 P407K16-L57 HydrophobicContact CB-CD2 3.99Å; K16-L57 HydrophobicContact CD-CD2 4.4Å; K16-L57 CarbonylContact O-C 3.56Å; K16-L57 WeakPolarHBondContact O-CA 3.36Å; V18-L57 HydrophobicContact CG2-CB 4.12Å; V18-L57 HydrophobicContact CG2-CD1 4.26Å; V18-L57 HydrophobicContact CG2-CD2 3.92Å; V18-L57 HydrophobicContact CG2-CG 4.31Å; L57-I59 HydrophobicContact CB-CG2 4.32Å; L57-W359 HydrophobicContact CD1-CH2 3.37Å; L57-W359 HydrophobicContact CD1-CZ2 4.14Å; L57-W359 HydrophobicContact CD1-CZ3 4.06Å; L57-E370 WeakPolarHBondContact CD1-OE2 3.46Å; L57-V404 CarbonylContact O-C 3.49Å; L57-V404 WeakPolarHBondContact O-CA 3.43Å; L57-W405 HydrophobicContact CB-CB 4.27Å; L57-W405 PolarHBondContact N-O 2.98Å; L57-W405 PolarHBondContact O-N 2.97Å; L57-P407 HydrophobicContact CD1-CB 4.22Å; L57-P407 HydrophobicContact CD1-CG 4.35Å; L57-P407 HydrophobicContact CG-CG 4.15Å
58V98.9Very high97.9Very high0 Ų025.3 Ų25.30%015%0.152CC..EExtended strand (participates in β ladder)trans-117.3100.1174.2-174.30000106.8I12 K16 V17 V18 V28 A53 V402I12-V58 HydrophobicContact CD1-CG1 4.02Å; I12-V58 HydrophobicContact CG2-CG1 4.36Å; I12-V58 HydrophobicContact CG2-CG2 3.72Å; K16-V58 PolarHBondContact O-N 2.84Å; V17-V58 WeakPolarHBondContact CA-O 3.33Å; V17-V58 HydrophobicContact CG2-CB 4.24Å; V18-V58 PolarHBondContact N-O 3.32Å; V18-V58 VanDerWaalsContact N-O 3.08Å; V28-V58 HydrophobicContact CG2-CG1 3.98Å; A53-V58 HydrophobicContact CB-CG2 4.02Å; V58-V402 HydrophobicContact CG1-CG1 3.47Å; V58-V402 VanDerWaalsContact CG1-CG1 3.47Å
59I98.9Very high98.1Very high1 Ų124.9 Ų24.91%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-111.6154-173.356.9175.4000110.8V18 L57 M355 F373 V374 V403 W405V18-I59 HydrophobicContact CB-CG2 3.85Å; V18-I59 HydrophobicContact CG1-CG2 4.43Å; V18-I59 HydrophobicContact CG2-CG2 4.44Å; L57-I59 HydrophobicContact CB-CG2 4.32Å; I59-M355 HydrophobicContact CD1-CE 3.94Å; I59-F373 HydrophobicContact CD1-CE1 4.04Å; I59-V374 HydrophobicContact CB-CG2 4.1Å; I59-V374 HydrophobicContact CG2-CG2 3.72Å; I59-V403 HydrophobicContact CD1-CB 4.32Å; I59-V403 HydrophobicContact CD1-CG1 4.48Å; I59-V403 HydrophobicContact CG1-CB 3.86Å; I59-V403 HydrophobicContact CG1-CG1 4.39Å; I59-V403 PolarHBondContact N-O 3.42Å; I59-V403 PolarHBondContact O-N 3.1Å; I59-W405 HydrophobicContact CD1-CB 3.93Å; I59-W405 HydrophobicContact CD1-CD2 4.22Å; I59-W405 HydrophobicContact CD1-CE3 4.26Å; I59-W405 HydrophobicContact CD1-CG 4.11Å; I59-W405 HydrophobicContact CG1-CB 4.21Å
60P98.9Very high97.9Very high3 Ų324.8 Ų24.82%0.01915%0.147CC..EExtended strand (participates in β ladder)trans-56.4141.6164.7-19.131.2000110.1V18 V374 I394V18-P60 WeakPolarHBondContact O-CD 3.36Å; P60-V374 HydrophobicContact CG-CG1 3.86Å; P60-I394 HydrophobicContact CB-CD1 4.43Å; P60-I394 HydrophobicContact CG-CD1 4.23Å; P60-I394 HydrophobicContact CG-CG1 4.04Å
61G98.9Very high97.7Very high2 Ų221.5 Ų21.52%0.02113%0.126CC..PPolyproline II helixtrans-60.4141172.700000111.5T95 D401G61-T95 VanDerWaalsContact CA-OG1 3.3Å; G61-T95 WeakPolarHBondContact CA-OG1 3.47Å; G61-D401 PolarHBondContact N-O 2.95Å
62G98.9Very high97.6Very high0 Ų025.3 Ų25.30%015%0.149CC..EExtended strand (participates in β ladder)trans-59.4146.1-17900000111.7G93 T94 T95 M96G62-G93 PolarHBondContact N-O 2.9Å; G62-T94 CarbonylContact O-C 3.59Å; G62-T94 WeakPolarHBondContact O-CA 3.43Å; G62-T94 WeakPolarHBondContact O-CG2 3.25Å; G62-T95 PolarHBondContact O-N 2.9Å; G62-M96 PolarHBondContact O-N 2.85Å
63I98.9Very high97.4Very high1 Ų120.1 Ų20.11%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-115.2114.8172.3-54.8-177.8000107.6T65 M96 R354 T377 A381 A382 L385 K391I63-T65 HydrophobicContact CG2-CG2 4.48Å; I63-M96 WeakPolarHBondContact CA-O 3.22Å; I63-M96 HydrophobicContact CD1-SD 4.5Å; I63-M96 HydrophobicContact CG1-CB 4.19Å; I63-M96 HydrophobicContact CG2-CB 4.23Å; I63-M96 HydrophobicContact CG2-CG 4.34Å; I63-M96 HydrophobicContact CG2-SD 4.18Å; I63-R354 PolarHBondContact O-NH1 3.47Å; I63-R354 PolarHBondContact O-NH2 2.88Å; I63-T377 PolarHBondContact N-O 3.15Å; I63-A381 HydrophobicContact CB-CB 3.91Å; I63-A381 HydrophobicContact CG2-CB 3.82Å; I63-A382 HydrophobicContact CD1-CB 3.84Å; I63-L385 HydrophobicContact CG2-CD1 4.23Å; I63-K391 HydrophobicContact CD1-CB 4.07Å
64D98.9Very high97.2Very high0 Ų022.3 Ų22.30%013%0.132CC..EExtended strand (participates in β ladder)trans-95112176.8-160.1-27.3000110.4S66 T67 T94 M96 I97 I98 S324 R354D64-S66 VanDerWaalsContact C-N 3.32Å; D64-S66 PolarHBondContact O-N 3.4Å; D64-S66 PolarHBondContact OD1-N 2.82Å; D64-T67 HydrophobicContact CB-CG2 4.27Å; D64-T94 HydrophobicContact CB-CG2 3.86Å; D64-M96 PolarHBondContact N-O 2.77Å; D64-I97 HydrophobicContact CB-CG2 4.32Å; D64-I97 CarbonylContact O-C 3.53Å; D64-I97 WeakPolarHBondContact O-CA 3.4Å; D64-I98 PolarHBondContact O-N 2.93Å; D64-S324 VanDerWaalsContact CG-OG 3.25Å; D64-S324 PolarHBondContact OD1-N 2.52Å; D64-S324 PolarHBondContact OD1-OG 2.78Å; D64-S324 WeakPolarHBondContact OD2-CB 3.1Å; D64-S324 PolarHBondContact OD2-N 2.97Å; D64-S324 PolarHBondContact OD2-OG 2.78Å; D64-R354 IonicContact OD2-NE 2.67Å; D64-R354 PolarHBondContact OD2-NE 2.89Å
65T98.7Very high97Very high0 Ų025 Ų250%014%0.143CC..EExtended strand (participates in β ladder)trans-85.20.2-170.8410000114.2I63 H131 R189 E270 I321 A381 L385I63-T65 HydrophobicContact CG2-CG2 4.48Å; T65-H131 PolarHBondContact O-NE2 3.47Å; T65-R189 PolarHBondContact O-NH1 3.28Å; T65-R189 PolarHBondContact O-NH2 2.89Å; T65-E270 VanDerWaalsContact CB-OE2 3.25Å; T65-E270 WeakPolarHBondContact CB-OE2 3.44Å; T65-E270 PolarHBondContact OG1-OE2 2.89Å; T65-I321 HydrophobicContact CG2-CD1 4.47Å; T65-I321 HydrophobicContact CG2-CG2 4.04Å; T65-I321 VanDerWaalsContact OG1-CG2 3.26Å; T65-I321 WeakPolarHBondContact OG1-CG2 3.22Å; T65-A381 HydrophobicContact CG2-CB 3.48Å; T65-A381 VanDerWaalsContact CG2-CB 3.48Å; T65-L385 HydrophobicContact CG2-CD1 4.3Å
66S98.4Very high96.9Very high5 Ų522.5 Ų22.54%0.03512%0.117CC..EExtended strand (participates in β ladder)trans-151.6110175.7-165.60000111.9D64 H100 D325 H326D64-S66 VanDerWaalsContact C-N 3.32Å; D64-S66 PolarHBondContact O-N 3.4Å; D64-S66 PolarHBondContact OD1-N 2.82Å; S66-H100 PolarHBondContact OG-NE2 3.18Å; S66-D325 VanDerWaalsContact O-CA 3.27Å; S66-D325 WeakPolarHBondContact O-CA 3.39Å; S66-D325 PolarHBondContact O-N 2.89Å; S66-D325 VanDerWaalsContact O-N 3.12Å; S66-H326 PolarHBondContact O-N 3.38Å
67T98.6Very high96.8Very high0 Ų023.1 Ų23.10%013%0.125CC..EExtended strand (participates in β ladder)trans-139146.7176.458.30000111.3D64 F69 I97 I98 G99 H100 H326 V351D64-T67 HydrophobicContact CB-CG2 4.27Å; T67-F69 HydrophobicContact CG2-CE2 4.17Å; T67-F69 HydrophobicContact CG2-CZ 3.93Å; T67-I97 HydrophobicContact CG2-CB 4.08Å; T67-I97 HydrophobicContact CG2-CG2 4.18Å; T67-I98 PolarHBondContact N-O 2.74Å; T67-I98 PolarHBondContact OG1-O 3.08Å; T67-G99 WeakPolarHBondContact O-CA 3.19Å; T67-H100 PolarHBondContact O-N 2.64Å; T67-H100 VanDerWaalsContact O-N 3.14Å; T67-H326 HydrophobicContact CG2-CB 4.44Å; T67-V351 HydrophobicContact CG2-CG2 4.31Å
68H97.9Very high96.7Very high6 Ų623 Ų233%0.02813%0.125CC..  trans-125.790.4-178.5-66.8-83.6000110Q71 H100 D325 H326 R327H68-Q71 PolarHBondContact ND1-OE1 3.17Å; H68-H100 WeakPolarHBondContact CE1-CB 3.17Å; H68-H100 AromaticContact CE1-CD2 3.72Å; H68-H100 AromaticContact CE1-CG 3.48Å; H68-H100 VanDerWaalsContact CE1-CG 3.48Å; H68-H100 AromaticContact NE2-CD2 3.79Å; H68-H100 AromaticContact NE2-CG 4Å; H68-D325 IonicContact CD2-OD1 2.87Å; H68-D325 PolarHBondContact CD2-OD1 3.12Å; H68-D325 IonicContact NE2-OD1 3.85Å; H68-D325 PolarHBondContact NE2-OD1 2.85Å; H68-H326 WeakPolarHBondContact CB-O 3.27Å; H68-H326 PolarHBondContact N-O 2.92Å; H68-R327 HydrophobicContact CB-CB 3.9Å; H68-R327 HydrophobicContact CB-CG 3.78Å; H68-R327 PolarHBondContact CD2-NH2 3.37Å; H68-R327 PolarHBondContact CE1-NH2 3.5Å; H68-R327 VanDerWaalsContact CG-NE 3.29Å; H68-R327 PolarHBondContact ND1-NH2 2.95Å; H68-R327 VanDerWaalsContact ND1-NH2 3.15Å; H68-R327 PolarHBondContact NE2-NH2 3.27Å
69F96.9Very high96.6Very high11 Ų1125.8 Ų25.85%0.04814%0.142CC..  trans-104.5140-179.8-59.2-45.5000111.8T67 Q71 D80 F82 I97 H326T67-F69 HydrophobicContact CG2-CE2 4.17Å; T67-F69 HydrophobicContact CG2-CZ 3.93Å; F69-Q71 PolarHBondContact O-N 3.16Å; F69-D80 WeakPolarHBondContact CA-O 3.47Å; F69-D80 HydrophobicContact CD1-CB 4.05Å; F69-D80 HydrophobicContact CE1-CB 4.32Å; F69-F82 HydrophobicContact CB-CD1 4.05Å; F69-F82 HydrophobicContact CB-CD2 4.28Å; F69-F82 HydrophobicContact CB-CE1 4.09Å; F69-F82 HydrophobicContact CB-CE2 4.31Å; F69-F82 HydrophobicContact CB-CG 4.13Å; F69-F82 HydrophobicContact CB-CZ 4.21Å; F69-F82 AromaticContact CD2-CD1 3.78Å; F69-F82 HydrophobicContact CD2-CD1 3.78Å; F69-F82 AromaticContact CD2-CE1 3.99Å; F69-F82 HydrophobicContact CD2-CE1 3.99Å; F69-F82 HydrophobicContact CG-CD1 4.38Å; F69-I97 HydrophobicContact CD2-CD1 4.14Å; F69-I97 HydrophobicContact CE2-CB 4.39Å; F69-I97 HydrophobicContact CE2-CD1 3.79Å; F69-I97 HydrophobicContact CE2-CG1 3.96Å; F69-H326 AromaticContact CE1-CD2 3.47Å; F69-H326 VanDerWaalsContact CE1-CD2 3.47Å; F69-H326 WeakPolarHBondContact CE1-CD2 3.36Å
70H92.2Very high96.5Very high80 Ų8026 Ų2637%0.3714%0.143SC..SBendtrans53.424.6176.7-151.385.7000114.1D80 D81 F82H70-D80 PolarHBondContact N-O 3.05Å; H70-D81 HydrophobicContact CB-CB 4.14Å; H70-D81 WeakPolarHBondContact ND1-CB 3.3Å; H70-F82 HydrophobicContact CB-CD2 4.42Å; H70-F82 HydrophobicContact CB-CE2 4.43Å
71Q93Very high96.4Very high21 Ų2126.9 Ų26.910%0.09815%0.148CC..  trans-98.2136.4-178-179.5168.17200110.1H68 F69 T77 C78 H100 L102H68-Q71 PolarHBondContact ND1-OE1 3.17Å; F69-Q71 PolarHBondContact O-N 3.16Å; Q71-T77 WeakPolarHBondContact O-CA 3.38Å; Q71-C78 PolarHBondContact O-N 3.31Å; Q71-C78 PolarHBondContact O-SG 3.01Å; Q71-H100 PolarHBondContact NE2-O 3.3Å; Q71-L102 VanDerWaalsContact NE2-CG 3.35Å
72T94.4Very high96.4Very high86 Ų8627 Ų2753%0.52815%0.148SC..EExtended strand (participates in β ladder)trans-90.2125.7167.7-60.70000109.2A76 T77T72-A76 CarbonylContact C-O 3.58Å; T72-A76 WeakPolarHBondContact CA-O 3.43Å; T72-T77 PolarHBondContact OG1-OG1 3.07Å
73F93.7Very high96.4Very high4 Ų429.8 Ų29.82%0.01816%0.159CC..EExtended strand (participates in β ladder)trans-141133.6179.3-179.2-108.3000109.2N75 A76 Y163 L166 Y167 R327 F329 H346F73-N75 VanDerWaalsContact C-N 3.25Å; F73-N75 PolarHBondContact O-N 2.88Å; F73-A76 PolarHBondContact N-O 3.02Å; F73-A76 PolarHBondContact O-N 3.35Å; F73-Y163 HydrophobicContact CZ-CD1 4.37Å; F73-Y163 AromaticContact CZ-CE1 3.74Å; F73-Y163 HydrophobicContact CZ-CE1 3.74Å; F73-Y163 AromaticContact CZ-CZ 3.87Å; F73-L166 HydrophobicContact CE2-CD2 4.32Å; F73-Y167 HydrophobicContact CD2-CE2 4.33Å; F73-Y167 AromaticContact CE2-CE2 3.9Å; F73-Y167 HydrophobicContact CE2-CE2 3.9Å; F73-R327 VanDerWaalsContact CG-NH1 3.29Å; F73-F329 HydrophobicContact CB-CZ 4.46Å; F73-H346 HydrophobicContact CE1-CB 3.99Å; F73-H346 AromaticContact CE1-ND1 3.97Å
74M93.2Very high96.3Very high46 Ų4633.8 Ų33.823%0.22718%0.177CC..THydrogen-bonded Turntrans49.145.7-176.7-62.2176.372.200113.1A76 T342 I344 P345 H346M74-A76 PolarHBondContact O-N 2.87Å; M74-A76 VanDerWaalsContact O-N 3.16Å; M74-T342 WeakPolarHBondContact CE-O 3.26Å; M74-I344 WeakPolarHBondContact CE-O 3.31Å; M74-P345 HydrophobicContact CB-CB 4.4Å; M74-H346 HydrophobicContact SD-CB 4.41Å; M74-H346 PolarHBondContact SD-CE1 3.34Å; M74-H346 PolarHBondContact SD-ND1 2.92Å; M74-H346 VanDerWaalsContact SD-ND1 3.42Å
75N92.9Very high96.3Very high147 Ų14733.8 Ų33.879%0.78618%0.177SC*.THydrogen-bonded Turntrans63.311.7-178.8-54.5-41.9000115.8F73 M336F73-N75 VanDerWaalsContact C-N 3.25Å; F73-N75 PolarHBondContact O-N 2.88Å; N75-M336 HydrophobicContact CB-CE 3.79Å
76A95.4Very high96.3Very high3 Ų333.8 Ų33.83%0.02518%0.177CC..EExtended strand (participates in β ladder)trans-120.4135.5173.900000110.7T72 F73 M74 F329 Q333 M336 P345T72-A76 CarbonylContact C-O 3.58Å; T72-A76 WeakPolarHBondContact CA-O 3.43Å; F73-A76 PolarHBondContact N-O 3.02Å; F73-A76 PolarHBondContact O-N 3.35Å; M74-A76 PolarHBondContact O-N 2.87Å; M74-A76 VanDerWaalsContact O-N 3.16Å; A76-F329 HydrophobicContact CB-CD1 3.76Å; A76-F329 HydrophobicContact CB-CE1 3.6Å; A76-Q333 HydrophobicContact CB-CB 4.34Å; A76-Q333 HydrophobicContact CB-CG 4.45Å; A76-M336 HydrophobicContact CB-SD 4.14Å; A76-P345 HydrophobicContact CB-CB 4.01Å; A76-P345 HydrophobicContact CB-CG 4.12Å
77T96.4Very high96.3Very high62 Ų6236.1 Ų36.138%0.3819%0.187SC..EExtended strand (participates in β ladder)trans-87.3132.7172.8-53.20000110Q71 T72 V79 Q333Q71-T77 WeakPolarHBondContact O-CA 3.38Å; T72-T77 PolarHBondContact OG1-OG1 3.07Å; T77-V79 PolarHBondContact O-N 3.19Å; T77-Q333 PolarHBondContact O-NE2 3.06Å
78C96Very high96.3Very high6 Ų636.1 Ų36.14%0.04119%0.187CC..  trans-54.1138.2174.8-58.10000110.1Q71 D80 R327 P328Q71-C78 PolarHBondContact O-N 3.31Å; Q71-C78 PolarHBondContact O-SG 3.01Å; C78-D80 PolarHBondContact O-N 3.14Å; C78-R327 WeakPolarHBondContact SG-CG 3.1Å; C78-P328 WeakPolarHBondContact CA-O 3.48Å
79V96.9Very high96.3Very high58 Ų5835.8 Ų35.835%0.35219%0.185SC..SBendtrans-63.9-44-176.9-179.60000111T77 P328 T330T77-V79 PolarHBondContact O-N 3.19Å; V79-P328 HydrophobicContact CB-CB 4.49Å; V79-P328 HydrophobicContact CB-CG 4.28Å; V79-P328 PolarHBondContact N-O 2.69Å; V79-T330 HydrophobicContact CG2-CG2 3.66Å
80D97.8Very high96.4Very high5 Ų535.3 Ų35.33%0.02718%0.183CC..  trans-80.4126.2179.1-79.9-17.3000111.6F69 H70 C78 H84 H326 P328 G421F69-D80 WeakPolarHBondContact CA-O 3.47Å; F69-D80 HydrophobicContact CD1-CB 4.05Å; F69-D80 HydrophobicContact CE1-CB 4.32Å; H70-D80 PolarHBondContact N-O 3.05Å; C78-D80 PolarHBondContact O-N 3.14Å; D80-H84 HydrophobicContact CB-CB 4.43Å; D80-H84 WeakPolarHBondContact OD1-CB 3.45Å; D80-H326 IonicContact OD2-CE1 3.35Å; D80-H326 IonicContact OD2-NE2 3.71Å; D80-H326 PolarHBondContact OD2-NE2 3.13Å; D80-P328 HydrophobicContact CB-CG 3.92Å; D80-G421 WeakPolarHBondContact OD1-CA 3.45Å; D80-G421 PolarHBondContact OD1-N 2.6Å; D80-G421 PolarHBondContact OD2-N 2.78Å
81D97.3Very high96.7Very high22 Ų2232.2 Ų32.212%0.11817%0.17CC..  trans-89.2-177.8161.475.5-1.6000111H70 Y83 H84 G85 K123H70-D81 HydrophobicContact CB-CB 4.14Å; H70-D81 WeakPolarHBondContact ND1-CB 3.3Å; D81-Y83 PolarHBondContact O-N 3.36Å; D81-Y83 WeakPolarHBondContact OD1-CB 3.28Å; D81-Y83 PolarHBondContact OD1-N 2.8Å; D81-H84 PolarHBondContact O-N 3.39Å; D81-H84 IonicContact OD1-CE1 3.96Å; D81-H84 IonicContact OD1-CG 2.84Å; D81-H84 PolarHBondContact OD1-N 3.07Å; D81-H84 IonicContact OD1-ND1 3.62Å; D81-H84 PolarHBondContact OD1-ND1 3.28Å; D81-H84 IonicContact OD2-ND1 2.98Å; D81-G85 PolarHBondContact O-N 3.46Å; D81-K123 IonicContact OD2-NZ 3.68Å; D81-K123 PolarHBondContact OD2-NZ 2.79Å
82F98Very high96.9Very high5 Ų531.2 Ų31.22%0.02217%0.165CC..Hα-helixtrans-60.3-27.8-178.9-75.4-78.7000113.7F69 H70 T86 L119 A120 K123 V124F69-F82 HydrophobicContact CB-CD1 4.05Å; F69-F82 HydrophobicContact CB-CD2 4.28Å; F69-F82 HydrophobicContact CB-CE1 4.09Å; F69-F82 HydrophobicContact CB-CE2 4.31Å; F69-F82 HydrophobicContact CB-CG 4.13Å; F69-F82 HydrophobicContact CB-CZ 4.21Å; F69-F82 AromaticContact CD2-CD1 3.78Å; F69-F82 HydrophobicContact CD2-CD1 3.78Å; F69-F82 AromaticContact CD2-CE1 3.99Å; F69-F82 HydrophobicContact CD2-CE1 3.99Å; F69-F82 HydrophobicContact CG-CD1 4.38Å; H70-F82 HydrophobicContact CB-CD2 4.42Å; H70-F82 HydrophobicContact CB-CE2 4.43Å; F82-T86 WeakPolarHBondContact O-CB 3.27Å; F82-T86 VanDerWaalsContact O-CG2 3.24Å; F82-T86 WeakPolarHBondContact O-CG2 3.45Å; F82-T86 PolarHBondContact O-N 3.38Å; F82-T86 PolarHBondContact O-OG1 2.94Å; F82-L119 HydrophobicContact CD2-CB 4.42Å; F82-L119 HydrophobicContact CE2-CB 4.34Å; F82-A120 HydrophobicContact CB-CB 4.48Å; F82-A120 HydrophobicContact CD1-CB 3.61Å; F82-A120 HydrophobicContact CD2-CB 3.72Å; F82-A120 HydrophobicContact CE1-CB 3.64Å; F82-A120 HydrophobicContact CE2-CB 3.75Å; F82-A120 HydrophobicContact CG-CB 3.66Å; F82-A120 HydrophobicContact CZ-CB 3.72Å; F82-K123 HydrophobicContact CB-CB 3.86Å; F82-V124 HydrophobicContact CB-CG1 3.94Å; F82-V124 HydrophobicContact CD1-CG1 3.85Å; F82-V124 HydrophobicContact CG-CG1 4.24Å
83Y98Very high97.1Very high57 Ų5727.1 Ų27.122%0.22414%0.14CC..Hα-helixtrans-75.3-55.8177.7170.9-106.1000110.6D81 G85 T86 K87 K123 C125 E456D81-Y83 PolarHBondContact O-N 3.36Å; D81-Y83 WeakPolarHBondContact OD1-CB 3.28Å; D81-Y83 PolarHBondContact OD1-N 2.8Å; Y83-G85 PolarHBondContact O-N 2.98Å; Y83-T86 PolarHBondContact O-N 2.92Å; Y83-T86 PolarHBondContact O-OG1 2.81Å; Y83-K87 VanDerWaalsContact O-CB 3.27Å; Y83-K87 WeakPolarHBondContact O-CB 3.35Å; Y83-K87 PolarHBondContact O-N 3.33Å; Y83-K123 WeakPolarHBondContact CA-O 3.47Å; Y83-C125 VanDerWaalsContact CD2-SG 3.52Å; Y83-E456 HydrophobicContact CD2-CB 3.62Å; Y83-E456 HydrophobicContact CE2-CB 3.96Å
84H97.7Very high97.4Very high85 Ų8526.9 Ų26.939%0.39414%0.139SC..Hα-helixtrans-64.2-42.6-176.6-62.587.1000111.5D80 D81 K87 A88D80-H84 HydrophobicContact CB-CB 4.43Å; D80-H84 WeakPolarHBondContact OD1-CB 3.45Å; D81-H84 PolarHBondContact O-N 3.39Å; D81-H84 IonicContact OD1-CE1 3.96Å; D81-H84 IonicContact OD1-CG 2.84Å; D81-H84 PolarHBondContact OD1-N 3.07Å; D81-H84 IonicContact OD1-ND1 3.62Å; D81-H84 PolarHBondContact OD1-ND1 3.28Å; D81-H84 IonicContact OD2-ND1 2.98Å; H84-K87 WeakPolarHBondContact O-CB 3.08Å; H84-K87 PolarHBondContact O-N 3.42Å; H84-A88 WeakPolarHBondContact O-CB 3.27Å; H84-A88 PolarHBondContact O-N 3.13Å
85G98.2Very high97.6Very high0 Ų024.8 Ų24.80%013%0.129CC..Hα-helixtrans-64.7-43.3178.500000114D81 Y83 A88 A89D81-G85 PolarHBondContact O-N 3.46Å; Y83-G85 PolarHBondContact O-N 2.98Å; G85-A88 WeakPolarHBondContact O-CB 3.38Å; G85-A88 PolarHBondContact O-N 3.46Å; G85-A89 PolarHBondContact O-N 2.98Å
86T98.6Very high97.9Very high0 Ų017.8 Ų17.80%09%0.091CC..Hα-helixtrans-74.5-30.6177.256.80000112.8F82 Y83 A89 L90 I97 V124 C125F82-T86 WeakPolarHBondContact O-CB 3.27Å; F82-T86 VanDerWaalsContact O-CG2 3.24Å; F82-T86 WeakPolarHBondContact O-CG2 3.45Å; F82-T86 PolarHBondContact O-N 3.38Å; F82-T86 PolarHBondContact O-OG1 2.94Å; Y83-T86 PolarHBondContact O-N 2.92Å; Y83-T86 PolarHBondContact O-OG1 2.81Å; T86-A89 WeakPolarHBondContact O-CB 3.38Å; T86-A89 PolarHBondContact O-N 3.1Å; T86-L90 WeakPolarHBondContact O-CG 3.36Å; T86-L90 PolarHBondContact O-N 2.71Å; T86-I97 HydrophobicContact CG2-CG1 4Å; T86-V124 HydrophobicContact CG2-CB 4.18Å; T86-V124 HydrophobicContact CG2-CG1 4.02Å; T86-C125 WeakPolarHBondContact OG1-CB 3.45Å; T86-C125 PolarHBondContact OG1-N 2.88Å
87K98.4Very high98.1Very high54 Ų5417.6 Ų17.624%0.2359%0.09CC..Hα-helixtrans-59.2-49.5168.3176.2-177.1-176.2-172.10110.6Y83 H84 A89 L90 V91 V419 F452Y83-K87 VanDerWaalsContact O-CB 3.27Å; Y83-K87 WeakPolarHBondContact O-CB 3.35Å; Y83-K87 PolarHBondContact O-N 3.33Å; H84-K87 WeakPolarHBondContact O-CB 3.08Å; H84-K87 PolarHBondContact O-N 3.42Å; K87-A89 VanDerWaalsContact C-N 3.34Å; K87-A89 PolarHBondContact O-N 3.14Å; K87-L90 PolarHBondContact O-N 2.98Å; K87-V91 WeakPolarHBondContact O-CG2 3.37Å; K87-V91 PolarHBondContact O-N 3.21Å; K87-V91 VanDerWaalsContact O-N 3.07Å; K87-V419 HydrophobicContact CD-CG1 3.58Å; K87-V419 VanDerWaalsContact CE-CG1 3.49Å; K87-V419 HydrophobicContact CG-CG1 3.7Å; K87-F452 HydrophobicContact CB-CE1 4.3Å; K87-F452 HydrophobicContact CB-CE2 4.07Å; K87-F452 HydrophobicContact CB-CZ 3.79Å; K87-F452 HydrophobicContact CD-CD1 4.07Å; K87-F452 HydrophobicContact CD-CE1 3.97Å; K87-F452 HydrophobicContact CD-CG 4.47Å; K87-F452 HydrophobicContact CD-CZ 4.29Å; K87-F452 HydrophobicContact CG-CD1 3.97Å; K87-F452 HydrophobicContact CG-CD2 3.9Å; K87-F452 HydrophobicContact CG-CE1 3.74Å; K87-F452 HydrophobicContact CG-CE2 3.69Å; K87-F452 HydrophobicContact CG-CG 4.01Å; K87-F452 HydrophobicContact CG-CZ 3.57Å
88A98.4Very high98.2Very high0 Ų014.7 Ų14.70%07%0.072CC..Hα-helixtrans-59.3-43.4176.600000112.3H84 G85 L90 V91 G92 V351 Q352 Q420H84-A88 WeakPolarHBondContact O-CB 3.27Å; H84-A88 PolarHBondContact O-N 3.13Å; G85-A88 WeakPolarHBondContact O-CB 3.38Å; G85-A88 PolarHBondContact O-N 3.46Å; A88-L90 PolarHBondContact O-N 3.32Å; A88-V91 PolarHBondContact O-N 2.9Å; A88-G92 PolarHBondContact O-N 2.88Å; A88-V351 HydrophobicContact CB-CG1 3.73Å; A88-Q352 HydrophobicContact CB-CB 4.22Å; A88-Q352 WeakPolarHBondContact O-CA 3.32Å; A88-Q420 HydrophobicContact CB-CB 3.69Å
89A98.7Very high98.3Very high0 Ų014.4 Ų14.40%07%0.07CC..Hα-helixtrans-55.7-49.9174.300000112.1G85 T86 K87 V91 G92 G93 T94 I97 V351G85-A89 PolarHBondContact O-N 2.98Å; T86-A89 WeakPolarHBondContact O-CB 3.38Å; T86-A89 PolarHBondContact O-N 3.1Å; K87-A89 VanDerWaalsContact C-N 3.34Å; K87-A89 PolarHBondContact O-N 3.14Å; A89-V91 PolarHBondContact O-N 3.19Å; A89-G92 CarbonylContact O-C 3.21Å; A89-G92 WeakPolarHBondContact O-CA 3.24Å; A89-G92 PolarHBondContact O-N 3.35Å; A89-G93 PolarHBondContact O-N 2.91Å; A89-G93 VanDerWaalsContact O-N 3.17Å; A89-T94 CarbonylContact C-O 3.42Å; A89-T94 HydrophobicContact CB-CG2 4.01Å; A89-T94 WeakPolarHBondContact O-CA 3.43Å; A89-T94 WeakPolarHBondContact O-CB 3.5Å; A89-T94 PolarHBondContact O-N 3.37Å; A89-T94 VanDerWaalsContact O-O 3.11Å; A89-I97 HydrophobicContact CB-CG2 3.99Å; A89-V351 HydrophobicContact CB-CG2 3.67Å
90L98.7Very high98.3Very high0 Ų012.3 Ų12.30%06%0.057CC..Hα-helixtrans-64.6-41.1-178.3-73.6174.1000113T86 K87 A88 G92 G93 T94 T95 C125 C126 T439 V446 F452 C454T86-L90 WeakPolarHBondContact O-CG 3.36Å; T86-L90 PolarHBondContact O-N 2.71Å; K87-L90 PolarHBondContact O-N 2.98Å; A88-L90 PolarHBondContact O-N 3.32Å; L90-G92 PolarHBondContact O-N 2.56Å; L90-G93 PolarHBondContact O-N 3Å; L90-G93 VanDerWaalsContact O-N 3.13Å; L90-T94 WeakPolarHBondContact CA-O 3.39Å; L90-T94 PolarHBondContact N-O 3.23Å; L90-T95 HydrophobicContact CD2-CG2 4.25Å; L90-C125 HydrophobicContact CD1-CB 3.68Å; L90-C126 HydrophobicContact CD1-CB 4.13Å; L90-C126 HydrophobicContact CD2-CB 3.72Å; L90-C126 HydrophobicContact CG-CB 3.91Å; L90-T439 HydrophobicContact CD2-CG2 3.87Å; L90-T439 WeakPolarHBondContact O-CB 3.33Å; L90-T439 WeakPolarHBondContact O-CG2 3.48Å; L90-T439 PolarHBondContact O-OG1 3.02Å; L90-V446 HydrophobicContact CB-CG2 4.43Å; L90-V446 HydrophobicContact CD1-CB 4.21Å; L90-V446 HydrophobicContact CD1-CG2 3.93Å; L90-V446 HydrophobicContact CD2-CG2 3.73Å; L90-V446 HydrophobicContact CG-CG2 4.25Å; L90-F452 HydrophobicContact CB-CE2 4.22Å; L90-F452 HydrophobicContact CD1-CE2 3.91Å; L90-C454 HydrophobicContact CD1-CB 4.28Å
91V98.2Very high98.4Very high15 Ų1512.5 Ų12.59%0.0916%0.058CC..Hα-helixtrans-61.8-32.1173.8172.20000110.9K87 A88 A89 Q352 V419 P436 Y447 F452K87-V91 WeakPolarHBondContact O-CG2 3.37Å; K87-V91 PolarHBondContact O-N 3.21Å; K87-V91 VanDerWaalsContact O-N 3.07Å; A88-V91 PolarHBondContact O-N 2.9Å; A89-V91 PolarHBondContact O-N 3.19Å; V91-Q352 HydrophobicContact CG1-CG 4.45Å; V91-V419 HydrophobicContact CG1-CG2 4.49Å; V91-V419 HydrophobicContact CG2-CG2 4.49Å; V91-P436 VanDerWaalsContact O-CG 3.27Å; V91-P436 WeakPolarHBondContact O-CG 3.43Å; V91-Y447 HydrophobicContact CB-CD2 4.48Å; V91-Y447 HydrophobicContact CB-CE2 4.44Å; V91-Y447 HydrophobicContact CG1-CE2 4.05Å; V91-Y447 HydrophobicContact CG2-CD2 3.91Å; V91-Y447 HydrophobicContact CG2-CE2 4.11Å; V91-F452 HydrophobicContact CG2-CD2 4.14Å
92G98.3Very high98.3Very high0 Ų012.4 Ų12.40%06%0.057CC..THydrogen-bonded Turntrans-81.1-3175.100000116.2A88 A89 L90 Q352 M355A88-G92 PolarHBondContact O-N 2.88Å; A89-G92 CarbonylContact O-C 3.21Å; A89-G92 WeakPolarHBondContact O-CA 3.24Å; A89-G92 PolarHBondContact O-N 3.35Å; L90-G92 PolarHBondContact O-N 2.56Å; G92-Q352 WeakPolarHBondContact CA-O 3.36Å; G92-M355 WeakPolarHBondContact O-CB 3.42Å; G92-M355 WeakPolarHBondContact O-CG 3.47Å
93G98.5Very high98.1Very high0 Ų012.4 Ų12.40%06%0.058CC..THydrogen-bonded Turntrans81.316.2-174.700000114.8G62 A89 L90 V403G62-G93 PolarHBondContact N-O 2.9Å; A89-G93 PolarHBondContact O-N 2.91Å; A89-G93 VanDerWaalsContact O-N 3.17Å; L90-G93 PolarHBondContact O-N 3Å; L90-G93 VanDerWaalsContact O-N 3.13Å; G93-V403 WeakPolarHBondContact O-CG2 3.47Å
94T98.9Very high97.8Very high0 Ų014.8 Ų14.80%07%0.074CC..EExtended strand (participates in β ladder)trans-98.2122.8170.9-660000109.6G62 D64 A89 L90 M96 I97 R354G62-T94 CarbonylContact O-C 3.59Å; G62-T94 WeakPolarHBondContact O-CA 3.43Å; G62-T94 WeakPolarHBondContact O-CG2 3.25Å; D64-T94 HydrophobicContact CB-CG2 3.86Å; A89-T94 CarbonylContact C-O 3.42Å; A89-T94 HydrophobicContact CB-CG2 4.01Å; A89-T94 WeakPolarHBondContact O-CA 3.43Å; A89-T94 WeakPolarHBondContact O-CB 3.5Å; A89-T94 PolarHBondContact O-N 3.37Å; A89-T94 VanDerWaalsContact O-O 3.11Å; L90-T94 WeakPolarHBondContact CA-O 3.39Å; L90-T94 PolarHBondContact N-O 3.23Å; T94-M96 VanDerWaalsContact CG2-O 3.29Å; T94-M96 WeakPolarHBondContact CG2-O 3.29Å; T94-I97 HydrophobicContact CG2-CG2 4.27Å; T94-R354 PolarHBondContact OG1-NH2 3.08Å
95T98.9Very high97.6Very high1 Ų116.9 Ų16.91%0.0068%0.082CC..EExtended strand (participates in β ladder)trans-109.7-3.3-174.857.80000113.7G61 G62 L90 C126 D127 D401 T439G61-T95 VanDerWaalsContact CA-OG1 3.3Å; G61-T95 WeakPolarHBondContact CA-OG1 3.47Å; G62-T95 PolarHBondContact O-N 2.9Å; L90-T95 HydrophobicContact CD2-CG2 4.25Å; T95-C126 WeakPolarHBondContact O-CB 3.47Å; T95-D127 PolarHBondContact O-N 2.94Å; T95-D401 HydrophobicContact CG2-CB 4.34Å; T95-D401 WeakPolarHBondContact OG1-CB 3.33Å; T95-T439 HydrophobicContact CG2-CG2 3.64Å
96M98.8Very high97.3Very high0 Ų023.9 Ų23.90%012%0.115CC..EExtended strand (participates in β ladder)trans-143.4140171.7-172.9-176.2-179.700111G62 I63 D64 T94 I98 D127 A129 L387 K391 C462G62-M96 PolarHBondContact O-N 2.85Å; I63-M96 WeakPolarHBondContact CA-O 3.22Å; I63-M96 HydrophobicContact CD1-SD 4.5Å; I63-M96 HydrophobicContact CG1-CB 4.19Å; I63-M96 HydrophobicContact CG2-CB 4.23Å; I63-M96 HydrophobicContact CG2-CG 4.34Å; I63-M96 HydrophobicContact CG2-SD 4.18Å; D64-M96 PolarHBondContact N-O 2.77Å; T94-M96 VanDerWaalsContact CG2-O 3.29Å; T94-M96 WeakPolarHBondContact CG2-O 3.29Å; M96-I98 HydrophobicContact CE-CD1 3.47Å; M96-I98 VanDerWaalsContact CE-CD1 3.47Å; M96-I98 HydrophobicContact SD-CD1 4.35Å; M96-D127 VanDerWaalsContact CA-O 3.25Å; M96-D127 WeakPolarHBondContact CA-O 3.27Å; M96-D127 HydrophobicContact CG-CB 4.49Å; M96-D127 WeakPolarHBondContact CG-O 3.4Å; M96-A129 HydrophobicContact CE-CB 3.86Å; M96-L387 HydrophobicContact CE-CD1 3.52Å; M96-L387 HydrophobicContact SD-CD1 3.61Å; M96-K391 HydrophobicContact CB-CD 4.48Å; M96-K391 HydrophobicContact SD-CD 3.58Å; M96-K391 VanDerWaalsContact SD-CD 3.58Å; M96-C462 HydrophobicContact CE-CB 3.92Å
97I98.8Very high97.1Very high0 Ų026.5 Ų26.50%013%0.131CC..EExtended strand (participates in β ladder)trans-122.4153.8172.664.289.9000110.7D64 T67 F69 T86 A89 T94 D127 Y128 A129 V351D64-I97 HydrophobicContact CB-CG2 4.32Å; D64-I97 CarbonylContact O-C 3.53Å; D64-I97 WeakPolarHBondContact O-CA 3.4Å; T67-I97 HydrophobicContact CG2-CB 4.08Å; T67-I97 HydrophobicContact CG2-CG2 4.18Å; F69-I97 HydrophobicContact CD2-CD1 4.14Å; F69-I97 HydrophobicContact CE2-CB 4.39Å; F69-I97 HydrophobicContact CE2-CD1 3.79Å; F69-I97 HydrophobicContact CE2-CG1 3.96Å; T86-I97 HydrophobicContact CG2-CG1 4Å; A89-I97 HydrophobicContact CB-CG2 3.99Å; T94-I97 HydrophobicContact CG2-CG2 4.27Å; I97-D127 PolarHBondContact N-O 3.49Å; I97-Y128 HydrophobicContact CD1-CD2 4.47Å; I97-Y128 HydrophobicContact CD1-CG 4.48Å; I97-Y128 CarbonylContact O-C 3.51Å; I97-Y128 WeakPolarHBondContact O-CA 3.46Å; I97-Y128 WeakPolarHBondContact O-CB 3.39Å; I97-A129 PolarHBondContact O-N 3.01Å; I97-A129 VanDerWaalsContact O-N 3.08Å; I97-V351 HydrophobicContact CG2-CG2 4.46Å
98I98.7Very high97.1Very high0 Ų024.5 Ų24.50%012%0.124CC..EExtended strand (participates in β ladder)trans-115.7114.6166.8-35.7-67.2000108.9D64 T67 M96 A129 H131 L385D64-I98 PolarHBondContact O-N 2.93Å; T67-I98 PolarHBondContact N-O 2.74Å; T67-I98 PolarHBondContact OG1-O 3.08Å; M96-I98 HydrophobicContact CE-CD1 3.47Å; M96-I98 VanDerWaalsContact CE-CD1 3.47Å; M96-I98 HydrophobicContact SD-CD1 4.35Å; I98-A129 WeakPolarHBondContact CA-O 3.47Å; I98-A129 HydrophobicContact CD1-CB 3.8Å; I98-A129 HydrophobicContact CG2-CB 4.27Å; I98-H131 WeakPolarHBondContact CG2-CD2 3.36Å; I98-H131 VanDerWaalsContact CG2-CE1 3.48Å; I98-H131 WeakPolarHBondContact CG2-CE1 3.39Å; I98-H131 WeakPolarHBondContact CG2-NE2 3.33Å; I98-L385 HydrophobicContact CD1-CD1 3.52Å; I98-L385 HydrophobicContact CG1-CD1 3.84Å
99G98.2Very high97.1Very high1 Ų124.5 Ų24.51%0.0112%0.124CC..EExtended strand (participates in β ladder)trans-84.3154.5178.300000111.8T67 A129 L130 H131T67-G99 WeakPolarHBondContact O-CA 3.19Å; G99-A129 PolarHBondContact N-O 2.77Å; G99-L130 CarbonylContact O-C 3.56Å; G99-L130 WeakPolarHBondContact O-CA 3.27Å; G99-H131 PolarHBondContact O-N 2.94Å
100H98.2Very high97.1Very high14 Ų1425.8 Ų25.87%0.06513%0.131CC..EExtended strand (participates in β ladder)trans-102122.1173.7-77-102.6000112.3S66 T67 H68 Q71 L102 H131S66-H100 PolarHBondContact OG-NE2 3.18Å; T67-H100 PolarHBondContact O-N 2.64Å; T67-H100 VanDerWaalsContact O-N 3.14Å; H68-H100 WeakPolarHBondContact CE1-CB 3.17Å; H68-H100 AromaticContact CE1-CD2 3.72Å; H68-H100 AromaticContact CE1-CG 3.48Å; H68-H100 VanDerWaalsContact CE1-CG 3.48Å; H68-H100 AromaticContact NE2-CD2 3.79Å; H68-H100 AromaticContact NE2-CG 4Å; Q71-H100 PolarHBondContact NE2-O 3.3Å; H100-L102 HydrophobicContact CB-CD2 4.42Å; H100-L102 HydrophobicContact CB-CG 4.3Å; H100-H131 AromaticContact CE1-CD2 3.93Å; H100-H131 AromaticContact NE2-CD2 3.73Å
101V98Very high97.1Very high8 Ų831.1 Ų31.15%0.04816%0.16CC..EExtended strand (participates in β ladder)trans-89.4108.5164.9-175.90000107.7P103 A112 C116 L130 H131 V132 G133V101-P103 VanDerWaalsContact O-CD 3.31Å; V101-P103 WeakPolarHBondContact O-CD 3.41Å; V101-A112 HydrophobicContact CG1-CB 3.73Å; V101-A112 WeakPolarHBondContact CG1-O 3.32Å; V101-C116 HydrophobicContact CG2-CB 3.66Å; V101-L130 HydrophobicContact CG2-CB 4.15Å; V101-L130 HydrophobicContact CG2-CD1 3.92Å; V101-L130 HydrophobicContact CG2-CD2 4.18Å; V101-L130 HydrophobicContact CG2-CG 4.31Å; V101-H131 PolarHBondContact N-O 3.29Å; V101-V132 HydrophobicContact CB-CG2 4.23Å; V101-V132 HydrophobicContact CG2-CG2 4.45Å; V101-G133 PolarHBondContact O-N 3.22Å
102L96.2Very high97.1Very high21 Ų2131.3 Ų31.311%0.1116%0.163CC..  trans-109.996.4176.8-58.8-179.4000109.1Q71 H100 F160 Y167Q71-L102 VanDerWaalsContact NE2-CG 3.35Å; H100-L102 HydrophobicContact CB-CD2 4.42Å; H100-L102 HydrophobicContact CB-CG 4.3Å; L102-F160 HydrophobicContact CD1-CZ 4.31Å; L102-F160 HydrophobicContact CD2-CE2 3.86Å; L102-F160 HydrophobicContact CD2-CZ 3.85Å; L102-Y167 HydrophobicContact CD1-CE2 4.22Å
103P94.6Very high97.1Very high4 Ų431.3 Ų31.33%0.02616%0.163CC..PPolyproline II helixtrans-70.4145.5177.224.3-28.1000111.5V101 T107 L109 A112 G133 T135V101-P103 VanDerWaalsContact O-CD 3.31Å; V101-P103 WeakPolarHBondContact O-CD 3.41Å; P103-T107 VanDerWaalsContact CB-OG1 3.24Å; P103-T107 WeakPolarHBondContact CB-OG1 3.21Å; P103-L109 HydrophobicContact CB-CD2 4.44Å; P103-L109 HydrophobicContact CG-CD2 3.59Å; P103-A112 HydrophobicContact CB-CB 3.82Å; P103-G133 WeakPolarHBondContact CD-O 3.47Å; P103-G133 VanDerWaalsContact CG-O 3.31Å; P103-G133 WeakPolarHBondContact CG-O 3.41Å; P103-T135 WeakPolarHBondContact O-CB 3.08Å; P103-T135 WeakPolarHBondContact O-CG2 3.41Å; P103-T135 PolarHBondContact O-OG1 2.89Å
104D91.8Very high97Very high108 Ų10835 Ų3558%0.57818%0.181SC*.PPolyproline II helixtrans-64.5155167.3-63.5-42.2000110E106 T107D104-E106 PolarHBondContact O-N 2.91Å; D104-T107 HydrophobicContact CB-CG2 3.86Å; D104-T107 PolarHBondContact N-OG1 3.17Å; D104-T107 WeakPolarHBondContact O-CB 3.18Å; D104-T107 PolarHBondContact O-N 3.09Å; D104-T107 VanDerWaalsContact O-N 3.11Å; D104-T107 PolarHBondContact O-OG1 3.18Å
105K91.5Very high97Very high129 Ų12942.4 Ų42.456%0.56121%0.213SC*.THydrogen-bonded Turntrans-53.3139176.6-178.2161.8-178178.80110.7T107 W136K105-T107 PolarHBondContact O-N 3.13Å; K105-T107 VanDerWaalsContact O-N 3.16Å; K105-W136 HydrophobicContact CG-CB 4.01Å; K105-W136 HydrophobicContact CG-CG 4.42Å
106E92.6Very high96.9Very high147 Ų14743.1 Ų43.169%0.68722%0.218SC*.THydrogen-bonded Turntrans671.7-178.3-63169.3-166.900116.1D104D104-E106 PolarHBondContact O-N 2.91Å
107T95.2Very high96.9Very high54 Ų5445.3 Ų45.333%0.33123%0.226SC..SBendtrans-83.1151.7171.867.50000112P103 D104 K105 W136P103-T107 VanDerWaalsContact CB-OG1 3.24Å; P103-T107 WeakPolarHBondContact CB-OG1 3.21Å; D104-T107 HydrophobicContact CB-CG2 3.86Å; D104-T107 PolarHBondContact N-OG1 3.17Å; D104-T107 WeakPolarHBondContact O-CB 3.18Å; D104-T107 PolarHBondContact O-N 3.09Å; D104-T107 VanDerWaalsContact O-N 3.11Å; D104-T107 PolarHBondContact O-OG1 3.18Å; K105-T107 PolarHBondContact O-N 3.13Å; K105-T107 VanDerWaalsContact O-N 3.16Å; T107-W136 WeakPolarHBondContact O-CZ2 3.39Å; T107-W136 PolarHBondContact O-NE1 3.44Å
108S97.9Very high96.9Very high12 Ų1247.9 Ų47.98%0.08425%0.252CS..  trans-67.6133.3177.1176.60000110.8V110 D111 A112 E144S108-V110 VanDerWaalsContact C-N 3.28Å; S108-V110 PolarHBondContact O-N 2.94Å; S108-V110 PolarHBondContact OG-N 3.17Å; S108-D111 WeakPolarHBondContact CB-OD2 3.33Å; S108-D111 PolarHBondContact OG-N 3.25Å; S108-A112 WeakPolarHBondContact O-CB 3.37Å; S108-A112 PolarHBondContact O-N 2.82Å; S108-A112 VanDerWaalsContact O-N 3.14Å; S108-E144 WeakPolarHBondContact CA-OE2 3.47Å; S108-E144 VanDerWaalsContact CB-OE1 3.31Å; S108-E144 WeakPolarHBondContact CB-OE1 3.33Å; S108-E144 PolarHBondContact OG-OE1 2.86Å; S108-E144 PolarHBondContact OG-OE2 3.45Å
109L98.5Very high96.8Very high0 Ų051 Ų510%027%0.268CS..Hα-helixtrans-64.6-36.4175.1-54.2-171.8000111.5P103 Y113 V132 I134 V141 E144 M145 L148P103-L109 HydrophobicContact CB-CD2 4.44Å; P103-L109 HydrophobicContact CG-CD2 3.59Å; L109-Y113 WeakPolarHBondContact O-CB 3.42Å; L109-Y113 PolarHBondContact O-N 3.06Å; L109-V132 HydrophobicContact CB-CG1 4.16Å; L109-V132 HydrophobicContact CD2-CG1 4.37Å; L109-I134 HydrophobicContact CD1-CD1 3.58Å; L109-I134 HydrophobicContact CD2-CD1 4.46Å; L109-V141 HydrophobicContact CD1-CG1 3.78Å; L109-V141 HydrophobicContact CG-CG1 4.34Å; L109-E144 HydrophobicContact CB-CB 4.14Å; L109-E144 HydrophobicContact CD1-CB 4.26Å; L109-E144 HydrophobicContact CG-CB 4.29Å; L109-E144 PolarHBondContact N-OE2 2.94Å; L109-M145 HydrophobicContact CD1-CG 3.87Å; L109-L148 HydrophobicContact CB-CD1 3.72Å; L109-L148 HydrophobicContact CD1-CD1 4.21Å
110V98.5Very high96.8Very high27 Ų2750.9 Ų50.916%0.16427%0.268CS..Hα-helixtrans-70.2-45.3-178.6179.90000110.3S108 A112 Y113 E114 E144 T147 L148S108-V110 VanDerWaalsContact C-N 3.28Å; S108-V110 PolarHBondContact O-N 2.94Å; S108-V110 PolarHBondContact OG-N 3.17Å; V110-A112 VanDerWaalsContact C-N 3.33Å; V110-A112 PolarHBondContact O-N 3.17Å; V110-Y113 WeakPolarHBondContact O-CB 3.42Å; V110-Y113 PolarHBondContact O-N 3.05Å; V110-E114 HydrophobicContact CG1-CG 4.4Å; V110-E114 WeakPolarHBondContact O-CG 3.08Å; V110-E114 PolarHBondContact O-N 2.92Å; V110-E144 HydrophobicContact CG2-CB 4.12Å; V110-E144 HydrophobicContact CG2-CG 4.15Å; V110-T147 HydrophobicContact CG2-CG2 4.14Å; V110-L148 HydrophobicContact CG2-CD2 4.4Å; V110-L148 HydrophobicContact CG2-CG 4.23Å
111D98.1Very high96.8Very high113 Ų11353.1 Ų53.160%0.60428%0.28SS*.Hα-helixtrans-62.6-41.6177.9-65.1-22.9000111.4S108 Y113 E114 K115S108-D111 WeakPolarHBondContact CB-OD2 3.33Å; S108-D111 PolarHBondContact OG-N 3.25Å; D111-Y113 VanDerWaalsContact C-N 3.35Å; D111-E114 PolarHBondContact O-N 2.98Å; D111-K115 WeakPolarHBondContact O-CB 3.48Å; D111-K115 PolarHBondContact O-N 3.15Å
112A97.9Very high96.8Very high19 Ų1956.2 Ų56.216%0.15730%0.301CS..Hα-helixtrans-63.3-41.1175.800000112V101 P103 S108 V110 C116V101-A112 HydrophobicContact CG1-CB 3.73Å; V101-A112 WeakPolarHBondContact CG1-O 3.32Å; P103-A112 HydrophobicContact CB-CB 3.82Å; S108-A112 WeakPolarHBondContact O-CB 3.37Å; S108-A112 PolarHBondContact O-N 2.82Å; S108-A112 VanDerWaalsContact O-N 3.14Å; V110-A112 VanDerWaalsContact C-N 3.33Å; V110-A112 PolarHBondContact O-N 3.17Å; A112-C116 PolarHBondContact O-N 3.36Å
113Y98.4Very high96.9Very high0 Ų058.1 Ų58.10%031%0.308CS..Hα-helixtrans-61.6-49.5174.8169-88.8000111.6L109 V110 D111 K115 C116 R117 L130 V132 L148 K152 V154 F461L109-Y113 WeakPolarHBondContact O-CB 3.42Å; L109-Y113 PolarHBondContact O-N 3.06Å; V110-Y113 WeakPolarHBondContact O-CB 3.42Å; V110-Y113 PolarHBondContact O-N 3.05Å; D111-Y113 VanDerWaalsContact C-N 3.35Å; Y113-K115 VanDerWaalsContact C-N 3.35Å; Y113-K115 PolarHBondContact O-N 3.49Å; Y113-C116 WeakPolarHBondContact O-CB 3.39Å; Y113-C116 PolarHBondContact O-N 3.38Å; Y113-C116 VanDerWaalsContact O-N 3.16Å; Y113-R117 HydrophobicContact CD1-CG 4.13Å; Y113-R117 HydrophobicContact CE1-CG 3.61Å; Y113-R117 HydrophobicContact CE2-CG 4.09Å; Y113-R117 WeakPolarHBondContact O-CG 3.38Å; Y113-R117 PolarHBondContact O-N 2.91Å; Y113-R117 PolarHBondContact OH-NH1 3.08Å; Y113-L130 HydrophobicContact CD2-CB 4.48Å; Y113-L130 HydrophobicContact CD2-CD1 3.94Å; Y113-L130 HydrophobicContact CE2-CB 4.34Å; Y113-L130 HydrophobicContact CE2-CD1 3.84Å; Y113-V132 HydrophobicContact CD2-CG2 4.26Å; Y113-L148 HydrophobicContact CD1-CD2 4.1Å; Y113-L148 HydrophobicContact CD2-CD2 4.04Å; Y113-L148 HydrophobicContact CG-CD2 3.68Å; Y113-K152 HydrophobicContact CD1-CB 4.26Å; Y113-K152 HydrophobicContact CD1-CG 4.3Å; Y113-K152 HydrophobicContact CE1-CB 3.67Å; Y113-K152 HydrophobicContact CE1-CD 4.02Å; Y113-K152 HydrophobicContact CE1-CG 4Å; Y113-K152 HydrophobicContact CE2-CB 4.4Å; Y113-K152 PolarHBondContact OH-O 3.38Å; Y113-V154 HydrophobicContact CD2-CG2 3.75Å; Y113-V154 HydrophobicContact CE2-CG2 3.44Å; Y113-V154 VanDerWaalsContact CE2-CG2 3.44Å; Y113-F461 HydrophobicContact CE2-CE2 4.32Å; Y113-F461 HydrophobicContact CE2-CZ 4.19Å; Y113-F461 WeakPolarHBondContact OH-CE1 3.45Å; Y113-F461 WeakPolarHBondContact OH-CZ 3.47Å
114E98.3Very high97.1Very high77 Ų7757.9 Ų57.936%0.3631%0.307SS..Hα-helixtrans-64-39.8-179.5-68.6-63.9171.300111.8V110 D111 C116 R117 G118 K152V110-E114 HydrophobicContact CG1-CG 4.4Å; V110-E114 WeakPolarHBondContact O-CG 3.08Å; V110-E114 PolarHBondContact O-N 2.92Å; D111-E114 PolarHBondContact O-N 2.98Å; E114-C116 VanDerWaalsContact C-N 3.33Å; E114-C116 PolarHBondContact O-N 3.26Å; E114-R117 PolarHBondContact O-N 2.76Å; E114-G118 PolarHBondContact O-N 2.79Å; E114-K152 WeakPolarHBondContact OE1-CE 3.48Å; E114-K152 IonicContact OE1-NZ 3.7Å; E114-K152 PolarHBondContact OE1-NZ 2.91Å
115K97.7Very high97.4Very high156 Ų15652.9 Ų52.968%0.67828%0.28SS*.Hα-helixtrans-58.4-45.6172.8-177.9-179.1178-176.70111.3D111 Y113 G118 L119D111-K115 WeakPolarHBondContact O-CB 3.48Å; D111-K115 PolarHBondContact O-N 3.15Å; Y113-K115 VanDerWaalsContact C-N 3.35Å; Y113-K115 PolarHBondContact O-N 3.49Å; K115-G118 PolarHBondContact O-N 2.93Å; K115-L119 WeakPolarHBondContact O-CG 3.46Å; K115-L119 PolarHBondContact O-N 3.46Å
116C97.9Very high97.8Very high16 Ų1646.7 Ų46.711%0.10825%0.253CS..Hα-helixtrans-64-43.6177.8-172.60000111.9V101 A112 Y113 E114 G118 L119 A120 L130V101-C116 HydrophobicContact CG2-CB 3.66Å; A112-C116 PolarHBondContact O-N 3.36Å; Y113-C116 WeakPolarHBondContact O-CB 3.39Å; Y113-C116 PolarHBondContact O-N 3.38Å; Y113-C116 VanDerWaalsContact O-N 3.16Å; E114-C116 VanDerWaalsContact C-N 3.33Å; E114-C116 PolarHBondContact O-N 3.26Å; C116-G118 VanDerWaalsContact C-N 3.33Å; C116-G118 PolarHBondContact O-N 2.98Å; C116-L119 PolarHBondContact O-N 3.39Å; C116-L119 VanDerWaalsContact O-N 3.17Å; C116-A120 WeakPolarHBondContact O-CB 3.34Å; C116-A120 PolarHBondContact O-N 2.95Å; C116-L130 HydrophobicContact CB-CD1 4.26Å
117R98.2Very high98.1Very high46 Ų4639.7 Ų39.717%0.17422%0.22CC..Hα-helixtrans-59.1-43.5175.4-73.2-65.4-54.1-72.6-10.8111.8Y113 E114 L119 A120 D121 Y128 L130 F461Y113-R117 HydrophobicContact CD1-CG 4.13Å; Y113-R117 HydrophobicContact CE1-CG 3.61Å; Y113-R117 HydrophobicContact CE2-CG 4.09Å; Y113-R117 WeakPolarHBondContact O-CG 3.38Å; Y113-R117 PolarHBondContact O-N 2.91Å; Y113-R117 PolarHBondContact OH-NH1 3.08Å; E114-R117 PolarHBondContact O-N 2.76Å; R117-L119 PolarHBondContact O-N 2.93Å; R117-A120 PolarHBondContact O-N 3.04Å; R117-D121 IonicContact CZ-OD1 3.62Å; R117-D121 IonicContact CZ-OD2 3.41Å; R117-D121 IonicContact NE-OD1 3.72Å; R117-D121 PolarHBondContact NE-OD1 3.48Å; R117-D121 IonicContact NE-OD2 2.65Å; R117-D121 PolarHBondContact NE-OD2 3.29Å; R117-D121 IonicContact NH2-OD1 2.74Å; R117-D121 PolarHBondContact NH2-OD1 2.81Å; R117-D121 IonicContact NH2-OD2 3.41Å; R117-D121 PolarHBondContact NH2-OD2 2.67Å; R117-D121 WeakPolarHBondContact O-CB 3.35Å; R117-D121 PolarHBondContact O-N 3.41Å; R117-Y128 WeakPolarHBondContact CD-OH 3.32Å; R117-Y128 PolarHBondContact NE-OH 3.4Å; R117-L130 HydrophobicContact CG-CD1 3.95Å; R117-F461 VanDerWaalsContact CZ-CG 3.47Å
118G98.1Very high98.2Very high54 Ų5437.1 Ų37.156%0.55721%0.205SC*.Hα-helixtrans-61.4-29176.200000114.2E114 K115 C116 P122E114-G118 PolarHBondContact O-N 2.79Å; K115-G118 PolarHBondContact O-N 2.93Å; C116-G118 VanDerWaalsContact C-N 3.33Å; C116-G118 PolarHBondContact O-N 2.98Å; G118-P122 WeakPolarHBondContact O-CD 3.43Å
119L97.5Very high98.3Very high64 Ų6436.6 Ų36.634%0.33520%0.201SC..Hα-helixtrans-82.7-36.4174.2-66.7169.4000112.9F82 K115 C116 R117F82-L119 HydrophobicContact CD2-CB 4.42Å; F82-L119 HydrophobicContact CE2-CB 4.34Å; K115-L119 WeakPolarHBondContact O-CG 3.46Å; K115-L119 PolarHBondContact O-N 3.46Å; C116-L119 PolarHBondContact O-N 3.39Å; C116-L119 VanDerWaalsContact O-N 3.17Å; R117-L119 PolarHBondContact O-N 2.93Å
120A98.2Very high98.3Very high0 Ų036.6 Ų36.60%020%0.201CC..Hα-helixtrans-84.1-49.7-172.200000113.5F82 C116 R117 P122 K123 V124 Y128F82-A120 HydrophobicContact CB-CB 4.48Å; F82-A120 HydrophobicContact CD1-CB 3.61Å; F82-A120 HydrophobicContact CD2-CB 3.72Å; F82-A120 HydrophobicContact CE1-CB 3.64Å; F82-A120 HydrophobicContact CE2-CB 3.75Å; F82-A120 HydrophobicContact CG-CB 3.66Å; F82-A120 HydrophobicContact CZ-CB 3.72Å; C116-A120 WeakPolarHBondContact O-CB 3.34Å; C116-A120 PolarHBondContact O-N 2.95Å; R117-A120 PolarHBondContact O-N 3.04Å; A120-P122 VanDerWaalsContact C-CD 3.42Å; A120-P122 VanDerWaalsContact C-N 3.35Å; A120-K123 PolarHBondContact O-N 3.3Å; A120-V124 HydrophobicContact CB-CG1 4.25Å; A120-V124 WeakPolarHBondContact O-CG1 3.04Å; A120-V124 PolarHBondContact O-N 2.85Å; A120-Y128 HydrophobicContact CB-CD2 4.46Å; A120-Y128 HydrophobicContact CB-CE1 4.46Å; A120-Y128 HydrophobicContact CB-CE2 3.6Å; A120-Y128 WeakPolarHBondContact CB-OH 3.34Å
121D98.5Very high98.3Very high60 Ų6035.4 Ų35.432%0.32119%0.193SC..THydrogen-bonded Turntrans-50.3-42-174.6-78-14.5000114.7R117 K123 Y128R117-D121 IonicContact CZ-OD1 3.62Å; R117-D121 IonicContact CZ-OD2 3.41Å; R117-D121 IonicContact NE-OD1 3.72Å; R117-D121 PolarHBondContact NE-OD1 3.48Å; R117-D121 IonicContact NE-OD2 2.65Å; R117-D121 PolarHBondContact NE-OD2 3.29Å; R117-D121 IonicContact NH2-OD1 2.74Å; R117-D121 PolarHBondContact NH2-OD1 2.81Å; R117-D121 IonicContact NH2-OD2 3.41Å; R117-D121 PolarHBondContact NH2-OD2 2.67Å; R117-D121 WeakPolarHBondContact O-CB 3.35Å; R117-D121 PolarHBondContact O-N 3.41Å; D121-K123 VanDerWaalsContact C-N 3.3Å; D121-K123 PolarHBondContact O-N 3.34Å; D121-Y128 WeakPolarHBondContact OD1-CE1 3.3Å; D121-Y128 PolarHBondContact OD1-OH 3.42Å
122P98.2Very high98.3Very high74 Ų7430 Ų3048%0.48116%0.164SC..THydrogen-bonded Turntrans-77.6-11.5178.629.5-34.5000114.2G118 A120 G457G118-P122 WeakPolarHBondContact O-CD 3.43Å; A120-P122 VanDerWaalsContact C-CD 3.42Å; A120-P122 VanDerWaalsContact C-N 3.35Å; P122-G457 WeakPolarHBondContact O-CA 3.39Å; P122-G457 PolarHBondContact O-N 3.26Å
123K98.3Very high98.3Very high60 Ų6029.1 Ų29.126%0.26116%0.157SC..THydrogen-bonded Turntrans-114.1-33.3-167.8-73.7-171.5172.7-167.90114.9D81 F82 Y83 A120 D121 C125D81-K123 IonicContact OD2-NZ 3.68Å; D81-K123 PolarHBondContact OD2-NZ 2.79Å; F82-K123 HydrophobicContact CB-CB 3.86Å; Y83-K123 WeakPolarHBondContact CA-O 3.47Å; A120-K123 PolarHBondContact O-N 3.3Å; D121-K123 VanDerWaalsContact C-N 3.3Å; D121-K123 PolarHBondContact O-N 3.34Å; K123-C125 PolarHBondContact O-N 3.5Å
124V98.4Very high98.3Very high0 Ų029.1 Ų29.10%016%0.157CC..  trans-60.3133.4-173.6-69.90000112.9F82 T86 A120 Y128 G457 T458 G459F82-V124 HydrophobicContact CB-CG1 3.94Å; F82-V124 HydrophobicContact CD1-CG1 3.85Å; F82-V124 HydrophobicContact CG-CG1 4.24Å; T86-V124 HydrophobicContact CG2-CB 4.18Å; T86-V124 HydrophobicContact CG2-CG1 4.02Å; A120-V124 HydrophobicContact CB-CG1 4.25Å; A120-V124 WeakPolarHBondContact O-CG1 3.04Å; A120-V124 PolarHBondContact O-N 2.85Å; V124-Y128 HydrophobicContact CB-CD1 4.24Å; V124-Y128 HydrophobicContact CG1-CD1 3.91Å; V124-Y128 HydrophobicContact CG1-CE1 4.2Å; V124-Y128 HydrophobicContact CG1-CG 4.09Å; V124-Y128 HydrophobicContact CG2-CD1 3.77Å; V124-Y128 HydrophobicContact CG2-CE1 3.81Å; V124-G457 CarbonylContact O-C 3.31Å; V124-G457 WeakPolarHBondContact O-CA 3.46Å; V124-G457 PolarHBondContact O-N 2.93Å; V124-T458 PolarHBondContact O-N 3.24Å; V124-G459 PolarHBondContact O-N 3.16Å
125C98.3Very high98.2Very high2 Ų225.6 Ų25.61%0.01414%0.141CC..SBendtrans-94.8-17.1176.7-63.30000113.2Y83 T86 L90 K123 F452 C454 T458Y83-C125 VanDerWaalsContact CD2-SG 3.52Å; T86-C125 WeakPolarHBondContact OG1-CB 3.45Å; T86-C125 PolarHBondContact OG1-N 2.88Å; L90-C125 HydrophobicContact CD1-CB 3.68Å; K123-C125 PolarHBondContact O-N 3.5Å; C125-F452 HydrophobicContact CB-CZ 4.18Å; C125-C454 HydrophobicContact CB-CB 4.16Å; C125-C454 PolarHBondContact O-SG 3.21Å; C125-C454 VanDerWaalsContact O-SG 3.32Å; C125-T458 PolarHBondContact O-OG1 2.95Å
126C98.4Very high98.2Very high0 Ų019.8 Ų19.80%012%0.115CC..SBendtrans-127.4167.9177.474.50000110.4L90 T95 G459L90-C126 HydrophobicContact CD1-CB 4.13Å; L90-C126 HydrophobicContact CD2-CB 3.72Å; L90-C126 HydrophobicContact CG-CB 3.91Å; T95-C126 WeakPolarHBondContact O-CB 3.47Å; C126-G459 VanDerWaalsContact O-CA 3.25Å; C126-G459 WeakPolarHBondContact O-CA 3.4Å
127D98.7Very high98.2Very high0 Ų020.9 Ų20.90%012%0.117CC..EExtended strand (participates in β ladder)trans-62150.2175.9-80.4-5.3000110.6T95 M96 I97 K391 R442 K460T95-D127 PolarHBondContact O-N 2.94Å; M96-D127 VanDerWaalsContact CA-O 3.25Å; M96-D127 WeakPolarHBondContact CA-O 3.27Å; M96-D127 HydrophobicContact CG-CB 4.49Å; M96-D127 WeakPolarHBondContact CG-O 3.4Å; I97-D127 PolarHBondContact N-O 3.49Å; D127-K391 IonicContact OD2-NZ 3.63Å; D127-K391 PolarHBondContact OD2-NZ 2.97Å; D127-R442 VanDerWaalsContact OD1-CD 3.31Å; D127-R442 WeakPolarHBondContact OD1-CD 3.4Å; D127-R442 IonicContact OD1-CZ 3.94Å; D127-R442 IonicContact OD1-NE 2.81Å; D127-R442 IonicContact OD1-NH1 3.65Å; D127-R442 PolarHBondContact OD1-NH1 3.16Å; D127-R442 IonicContact OD2-NH1 3.62Å; D127-R442 PolarHBondContact OD2-NH1 3.24Å; D127-K460 WeakPolarHBondContact CA-O 3.44Å; D127-K460 PolarHBondContact OD1-N 2.8Å
128Y98.8Very high98.1Very high0 Ų019.9 Ų19.90%012%0.118CC..EExtended strand (participates in β ladder)trans-148.4161.7-179.483-69.5000112.8I97 R117 A120 D121 V124 L130 K460 F461 C462I97-Y128 HydrophobicContact CD1-CD2 4.47Å; I97-Y128 HydrophobicContact CD1-CG 4.48Å; I97-Y128 CarbonylContact O-C 3.51Å; I97-Y128 WeakPolarHBondContact O-CA 3.46Å; I97-Y128 WeakPolarHBondContact O-CB 3.39Å; R117-Y128 WeakPolarHBondContact CD-OH 3.32Å; R117-Y128 PolarHBondContact NE-OH 3.4Å; A120-Y128 HydrophobicContact CB-CD2 4.46Å; A120-Y128 HydrophobicContact CB-CE1 4.46Å; A120-Y128 HydrophobicContact CB-CE2 3.6Å; A120-Y128 WeakPolarHBondContact CB-OH 3.34Å; D121-Y128 WeakPolarHBondContact OD1-CE1 3.3Å; D121-Y128 PolarHBondContact OD1-OH 3.42Å; V124-Y128 HydrophobicContact CB-CD1 4.24Å; V124-Y128 HydrophobicContact CG1-CD1 3.91Å; V124-Y128 HydrophobicContact CG1-CE1 4.2Å; V124-Y128 HydrophobicContact CG1-CG 4.09Å; V124-Y128 HydrophobicContact CG2-CD1 3.77Å; V124-Y128 HydrophobicContact CG2-CE1 3.81Å; Y128-L130 HydrophobicContact CD2-CD2 4.21Å; Y128-L130 HydrophobicContact CD2-CG 4.34Å; Y128-L130 HydrophobicContact CE2-CD1 4.27Å; Y128-L130 HydrophobicContact CE2-CD2 4.06Å; Y128-L130 HydrophobicContact CE2-CG 4.01Å; Y128-K460 PolarHBondContact N-O 3.45Å; Y128-F461 HydrophobicContact CD1-CB 4.34Å; Y128-F461 HydrophobicContact CD2-CD2 4.44Å; Y128-F461 HydrophobicContact CE1-CB 3.68Å; Y128-F461 HydrophobicContact CE1-CD2 4.28Å; Y128-F461 AromaticContact CE2-CD2 3.97Å; Y128-F461 HydrophobicContact CE2-CD2 3.97Å; Y128-F461 AromaticContact CZ-CD2 3.88Å; Y128-F461 CarbonylContact O-C 3.52Å; Y128-F461 WeakPolarHBondContact O-CA 3.4Å; Y128-C462 PolarHBondContact O-N 2.92Å
129A98.6Very high98Very high0 Ų022.8 Ų22.80%013%0.127CC..EExtended strand (participates in β ladder)trans-137.1-176.9164.700000110M96 I97 I98 G99 F461 L464M96-A129 HydrophobicContact CE-CB 3.86Å; I97-A129 PolarHBondContact O-N 3.01Å; I97-A129 VanDerWaalsContact O-N 3.08Å; I98-A129 WeakPolarHBondContact CA-O 3.47Å; I98-A129 HydrophobicContact CD1-CB 3.8Å; I98-A129 HydrophobicContact CG2-CB 4.27Å; G99-A129 PolarHBondContact N-O 2.77Å; A129-F461 HydrophobicContact CB-CE2 4.47Å; A129-L464 HydrophobicContact CB-CD1 3.74Å; A129-L464 HydrophobicContact CB-CD2 4.07Å; A129-L464 HydrophobicContact CB-CG 3.9Å
130L98.7Very high98Very high1 Ų125 Ų251%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-133.3135.1-176.5-65174.1000112.2G99 V101 Y113 C116 R117 Y128 F461G99-L130 CarbonylContact O-C 3.56Å; G99-L130 WeakPolarHBondContact O-CA 3.27Å; V101-L130 HydrophobicContact CG2-CB 4.15Å; V101-L130 HydrophobicContact CG2-CD1 3.92Å; V101-L130 HydrophobicContact CG2-CD2 4.18Å; V101-L130 HydrophobicContact CG2-CG 4.31Å; Y113-L130 HydrophobicContact CD2-CB 4.48Å; Y113-L130 HydrophobicContact CD2-CD1 3.94Å; Y113-L130 HydrophobicContact CE2-CB 4.34Å; Y113-L130 HydrophobicContact CE2-CD1 3.84Å; C116-L130 HydrophobicContact CB-CD1 4.26Å; R117-L130 HydrophobicContact CG-CD1 3.95Å; Y128-L130 HydrophobicContact CD2-CD2 4.21Å; Y128-L130 HydrophobicContact CD2-CG 4.34Å; Y128-L130 HydrophobicContact CE2-CD1 4.27Å; Y128-L130 HydrophobicContact CE2-CD2 4.06Å; Y128-L130 HydrophobicContact CE2-CG 4.01Å; L130-F461 HydrophobicContact CB-CE2 4.42Å; L130-F461 HydrophobicContact CD1-CE2 4.41Å; L130-F461 HydrophobicContact CG-CE2 4.22Å
131H98.5Very high98Very high1 Ų125 Ų251%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-89.4144.8159.6-62.2-46000109.3T65 I98 G99 H100 V101 S156 R189T65-H131 PolarHBondContact O-NE2 3.47Å; I98-H131 WeakPolarHBondContact CG2-CD2 3.36Å; I98-H131 VanDerWaalsContact CG2-CE1 3.48Å; I98-H131 WeakPolarHBondContact CG2-CE1 3.39Å; I98-H131 WeakPolarHBondContact CG2-NE2 3.33Å; G99-H131 PolarHBondContact O-N 2.94Å; H100-H131 AromaticContact CE1-CD2 3.93Å; H100-H131 AromaticContact NE2-CD2 3.73Å; V101-H131 PolarHBondContact N-O 3.29Å; H131-S156 PolarHBondContact CE1-OG 3.44Å; H131-S156 WeakPolarHBondContact ND1-CB 3.43Å; H131-S156 PolarHBondContact ND1-OG 2.83Å; H131-R189 PolarHBondContact CD2-NH1 2.74Å; H131-R189 VanDerWaalsContact CD2-NH1 3.28Å; H131-R189 PolarHBondContact CE1-NH1 2.82Å; H131-R189 PolarHBondContact NE2-NH1 2.82Å
132V98.7Very high98Very high0 Ų025.8 Ų25.80%014%0.135CC..EExtended strand (participates in β ladder)trans-114.6126.2175.3-178.40000110.2V101 L109 Y113 L148 V154 S156 F157 Q158V101-V132 HydrophobicContact CB-CG2 4.23Å; V101-V132 HydrophobicContact CG2-CG2 4.45Å; L109-V132 HydrophobicContact CB-CG1 4.16Å; L109-V132 HydrophobicContact CD2-CG1 4.37Å; Y113-V132 HydrophobicContact CD2-CG2 4.26Å; V132-L148 HydrophobicContact CB-CD1 4.25Å; V132-L148 HydrophobicContact CG1-CD1 3.98Å; V132-L148 HydrophobicContact CG2-CD1 4.08Å; V132-V154 HydrophobicContact CG2-CG1 3.99Å; V132-V154 HydrophobicContact CG2-CG2 4.18Å; V132-S156 PolarHBondContact N-O 2.88Å; V132-F157 HydrophobicContact CB-CD1 4.05Å; V132-F157 HydrophobicContact CB-CE1 4.16Å; V132-F157 CarbonylContact O-C 3.52Å; V132-F157 WeakPolarHBondContact O-CA 3.15Å; V132-Q158 PolarHBondContact O-N 3.05Å
133G98.3Very high98Very high0 Ų024.7 Ų24.70%013%0.132CC..EExtended strand (participates in β ladder)trans-73.5134.6177.800000112V101 P103 Q158V101-G133 PolarHBondContact O-N 3.22Å; P103-G133 WeakPolarHBondContact CD-O 3.47Å; P103-G133 VanDerWaalsContact CG-O 3.31Å; P103-G133 WeakPolarHBondContact CG-O 3.41Å; G133-Q158 CarbonylContact C-O 3.44Å; G133-Q158 VanDerWaalsContact CA-O 3.3Å; G133-Q158 WeakPolarHBondContact CA-O 3.36Å
134I98.5Very high98Very high0 Ų022.9 Ų22.90%012%0.124CC..  trans-101.290.2169.2-50.5-58.6000106.9L109 W136 W137 V141 M145 F157 Q158 M159 L169 V177L109-I134 HydrophobicContact CD1-CD1 3.58Å; L109-I134 HydrophobicContact CD2-CD1 4.46Å; I134-W136 WeakPolarHBondContact CG2-O 3.5Å; I134-W137 HydrophobicContact CG2-CE3 4.26Å; I134-V141 HydrophobicContact CD1-CG1 4.19Å; I134-V141 HydrophobicContact CG2-CG1 4.05Å; I134-M145 HydrophobicContact CD1-CE 4.46Å; I134-M145 HydrophobicContact CD1-CG 3.8Å; I134-M145 HydrophobicContact CD1-SD 3.81Å; I134-M145 HydrophobicContact CG1-SD 4.37Å; I134-F157 HydrophobicContact CD1-CB 4.39Å; I134-F157 HydrophobicContact CD1-CD1 3.71Å; I134-F157 HydrophobicContact CD1-CE1 4.37Å; I134-F157 HydrophobicContact CD1-CG 4.29Å; I134-F157 HydrophobicContact CG1-CB 3.95Å; I134-F157 HydrophobicContact CG1-CD1 4.21Å; I134-F157 HydrophobicContact CG1-CG 4.37Å; I134-Q158 PolarHBondContact N-O 3.22Å; I134-M159 HydrophobicContact CB-CG 4.17Å; I134-M159 HydrophobicContact CB-SD 4.4Å; I134-M159 HydrophobicContact CG1-SD 4.17Å; I134-L169 HydrophobicContact CG2-CD1 4.21Å; I134-V177 HydrophobicContact CG1-CG1 4.3Å; I134-V177 HydrophobicContact CG2-CG1 4.31Å; I134-V177 HydrophobicContact CG2-CG2 3.85Å
135T96.4Very high98.1Very high4 Ų422.9 Ų22.93%0.02512%0.124CC..  trans-94.6-4.6-174.755.20000112.9P103 Y167P103-T135 WeakPolarHBondContact O-CB 3.08Å; P103-T135 WeakPolarHBondContact O-CG2 3.41Å; P103-T135 PolarHBondContact O-OG1 2.89Å; T135-Y167 HydrophobicContact CG2-CD1 3.25Å; T135-Y167 HydrophobicContact CG2-CE1 3.75Å; T135-Y167 HydrophobicContact CG2-CG 3.95Å
136W96.8Very high98.1Very high33 Ų3326 Ų2613%0.12514%0.139CC..SBendtrans-159.4164.6175.865.4-74.6000109.5K105 T107 I134 A138 K140 V141K105-W136 HydrophobicContact CG-CB 4.01Å; K105-W136 HydrophobicContact CG-CG 4.42Å; T107-W136 WeakPolarHBondContact O-CZ2 3.39Å; T107-W136 PolarHBondContact O-NE1 3.44Å; I134-W136 WeakPolarHBondContact CG2-O 3.5Å; W136-A138 HydrophobicContact CE3-CB 4.02Å; W136-A138 HydrophobicContact CH2-CB 4.3Å; W136-A138 HydrophobicContact CZ3-CB 3.45Å; W136-A138 VanDerWaalsContact CZ3-CB 3.45Å; W136-K140 HydrophobicContact CH2-CD 4.45Å; W136-V141 HydrophobicContact CD2-CG2 3.63Å; W136-V141 HydrophobicContact CE3-CG2 3.7Å; W136-V141 HydrophobicContact CG-CG2 4.45Å; W136-V141 HydrophobicContact CH2-CG2 3.56Å; W136-V141 HydrophobicContact CZ2-CG2 3.47Å; W136-V141 VanDerWaalsContact CZ2-CG2 3.47Å; W136-V141 HydrophobicContact CZ3-CG2 3.68Å
137W97.4Very high98.1Very high39 Ų3928 Ų2815%0.14815%0.151CC..  trans-131131.8-178.1-173.9-113.4000113.4I134 V141 K142 M145 E173 Q176 V177 A180I134-W137 HydrophobicContact CG2-CE3 4.26Å; W137-V141 HydrophobicContact CE3-CB 4.04Å; W137-V141 HydrophobicContact CE3-CG1 3.82Å; W137-V141 HydrophobicContact CZ3-CB 4.26Å; W137-V141 HydrophobicContact CZ3-CG1 3.97Å; W137-K142 HydrophobicContact CH2-CB 3.63Å; W137-K142 HydrophobicContact CH2-CG 4.11Å; W137-K142 HydrophobicContact CZ2-CB 4.12Å; W137-K142 HydrophobicContact CZ3-CB 4.28Å; W137-M145 HydrophobicContact CH2-SD 4.28Å; W137-M145 HydrophobicContact CZ3-SD 3.68Å; W137-E173 HydrophobicContact CB-CB 4.12Å; W137-E173 HydrophobicContact CB-CG 4.14Å; W137-E173 HydrophobicContact CG-CB 4.48Å; W137-Q176 HydrophobicContact CZ2-CB 3.76Å; W137-V177 HydrophobicContact CD2-CG2 3.72Å; W137-V177 HydrophobicContact CE3-CB 4.5Å; W137-V177 HydrophobicContact CE3-CG2 3.31Å; W137-V177 HydrophobicContact CG-CG2 4.33Å; W137-V177 HydrophobicContact CH2-CG2 4.24Å; W137-V177 HydrophobicContact CZ3-CB 4.39Å; W137-V177 HydrophobicContact CZ3-CG2 3.61Å; W137-A180 HydrophobicContact CH2-CB 3.83Å
138A96.8Very high98.1Very high25 Ų2528 Ų2821%0.20715%0.151CC..  trans-160.1164.717100000109.7W136 K140 V141 K142W136-A138 HydrophobicContact CE3-CB 4.02Å; W136-A138 HydrophobicContact CH2-CB 4.3Å; W136-A138 HydrophobicContact CZ3-CB 3.45Å; W136-A138 VanDerWaalsContact CZ3-CB 3.45Å; A138-K140 PolarHBondContact O-N 3.32Å; A138-K140 VanDerWaalsContact O-N 3.11Å; A138-V141 HydrophobicContact CB-CG2 4.31Å; A138-V141 WeakPolarHBondContact O-CB 3.42Å; A138-V141 PolarHBondContact O-N 3.31Å; A138-K142 PolarHBondContact O-N 2.61Å
139P96.6Very high98Very high115 Ų11528.8 Ų28.875%0.74716%0.156SC*.Hα-helixtrans-53.4-32.4173.7-28.436.2000114.1K142 A143P139-K142 WeakPolarHBondContact O-CB 3.49Å; P139-K142 PolarHBondContact O-N 2.99Å; P139-A143 PolarHBondContact O-N 2.78Å; P139-A143 VanDerWaalsContact O-N 3.16Å
140K97.5Very high98Very high111 Ų11138.4 Ų38.448%0.48319%0.192SC..Hα-helixtrans-60-46.1173-178.9-178.1171.9-172.20112W136 A138 K142 A143 E144W136-K140 HydrophobicContact CH2-CD 4.45Å; A138-K140 PolarHBondContact O-N 3.32Å; A138-K140 VanDerWaalsContact O-N 3.11Å; K140-K142 VanDerWaalsContact C-N 3.31Å; K140-K142 PolarHBondContact O-N 3.02Å; K140-A143 PolarHBondContact O-N 3.03Å; K140-E144 WeakPolarHBondContact CE-OE1 3.33Å; K140-E144 IonicContact NZ-OE1 3.81Å; K140-E144 WeakPolarHBondContact O-CG 3.49Å; K140-E144 PolarHBondContact O-N 3Å
141V98.3Very high98Very high0 Ų044.9 Ų44.90%022%0.222CC..Hα-helixtrans-59.2-44.2178.4-178.50000110.2L109 I134 W136 W137 A138 A143 E144 M145L109-V141 HydrophobicContact CD1-CG1 3.78Å; L109-V141 HydrophobicContact CG-CG1 4.34Å; I134-V141 HydrophobicContact CD1-CG1 4.19Å; I134-V141 HydrophobicContact CG2-CG1 4.05Å; W136-V141 HydrophobicContact CD2-CG2 3.63Å; W136-V141 HydrophobicContact CE3-CG2 3.7Å; W136-V141 HydrophobicContact CG-CG2 4.45Å; W136-V141 HydrophobicContact CH2-CG2 3.56Å; W136-V141 HydrophobicContact CZ2-CG2 3.47Å; W136-V141 VanDerWaalsContact CZ2-CG2 3.47Å; W136-V141 HydrophobicContact CZ3-CG2 3.68Å; W137-V141 HydrophobicContact CE3-CB 4.04Å; W137-V141 HydrophobicContact CE3-CG1 3.82Å; W137-V141 HydrophobicContact CZ3-CB 4.26Å; W137-V141 HydrophobicContact CZ3-CG1 3.97Å; A138-V141 HydrophobicContact CB-CG2 4.31Å; A138-V141 WeakPolarHBondContact O-CB 3.42Å; A138-V141 PolarHBondContact O-N 3.31Å; V141-A143 PolarHBondContact O-N 2.9Å; V141-E144 PolarHBondContact O-N 3.01Å; V141-M145 HydrophobicContact CG1-SD 4.42Å; V141-M145 VanDerWaalsContact O-CG 3.3Å; V141-M145 WeakPolarHBondContact O-CG 3.48Å; V141-M145 PolarHBondContact O-N 3.12Å
142K98.2Very high97.9Very high76 Ų7647.6 Ų47.633%0.3323%0.234SC..Hα-helixtrans-56.6-47.6175.1-174.7178.9177.1176.90112.1W137 A138 P139 K140 M145 E146 A180W137-K142 HydrophobicContact CH2-CB 3.63Å; W137-K142 HydrophobicContact CH2-CG 4.11Å; W137-K142 HydrophobicContact CZ2-CB 4.12Å; W137-K142 HydrophobicContact CZ3-CB 4.28Å; A138-K142 PolarHBondContact O-N 2.61Å; P139-K142 WeakPolarHBondContact O-CB 3.49Å; P139-K142 PolarHBondContact O-N 2.99Å; K140-K142 VanDerWaalsContact C-N 3.31Å; K140-K142 PolarHBondContact O-N 3.02Å; K142-M145 WeakPolarHBondContact O-CB 3.34Å; K142-M145 PolarHBondContact O-N 2.95Å; K142-E146 PolarHBondContact O-N 3.39Å; K142-A180 HydrophobicContact CD-CB 4.46Å; K142-A180 HydrophobicContact CG-CB 4.1Å
143A98.4Very high97.9Very high51 Ų5148.1 Ų48.142%0.42124%0.24SC..Hα-helixtrans-63.9-40.8178.600000112P139 K140 V141 M145 E146 T147P139-A143 PolarHBondContact O-N 2.78Å; P139-A143 VanDerWaalsContact O-N 3.16Å; K140-A143 PolarHBondContact O-N 3.03Å; V141-A143 PolarHBondContact O-N 2.9Å; A143-M145 PolarHBondContact O-N 3.47Å; A143-E146 WeakPolarHBondContact O-CB 3.37Å; A143-E146 PolarHBondContact O-N 2.73Å; A143-T147 PolarHBondContact O-N 3.25Å; A143-T147 PolarHBondContact O-OG1 3.05Å
144E98.6Very high97.9Very high22 Ų2248.1 Ų48.110%0.10324%0.24CC..Hα-helixtrans-67.5-34.3177.2-71.4-178.9164.400112.7S108 L109 V110 K140 V141 E146 T147 L148S108-E144 WeakPolarHBondContact CA-OE2 3.47Å; S108-E144 VanDerWaalsContact CB-OE1 3.31Å; S108-E144 WeakPolarHBondContact CB-OE1 3.33Å; S108-E144 PolarHBondContact OG-OE1 2.86Å; S108-E144 PolarHBondContact OG-OE2 3.45Å; L109-E144 HydrophobicContact CB-CB 4.14Å; L109-E144 HydrophobicContact CD1-CB 4.26Å; L109-E144 HydrophobicContact CG-CB 4.29Å; L109-E144 PolarHBondContact N-OE2 2.94Å; V110-E144 HydrophobicContact CG2-CB 4.12Å; V110-E144 HydrophobicContact CG2-CG 4.15Å; K140-E144 WeakPolarHBondContact CE-OE1 3.33Å; K140-E144 IonicContact NZ-OE1 3.81Å; K140-E144 WeakPolarHBondContact O-CG 3.49Å; K140-E144 PolarHBondContact O-N 3Å; V141-E144 PolarHBondContact O-N 3.01Å; E144-E146 VanDerWaalsContact C-N 3.32Å; E144-E146 PolarHBondContact O-N 3.22Å; E144-T147 PolarHBondContact O-N 3.09Å; E144-L148 WeakPolarHBondContact O-CB 3.24Å; E144-L148 WeakPolarHBondContact O-CG 3.5Å; E144-L148 PolarHBondContact O-N 3.1Å
145M98.7Very high97.8Very high0 Ų048.1 Ų48.10%024%0.24CC..Hα-helixtrans-59.5-43.1170.5-69.9170.168.200111.4L109 I134 W137 V141 K142 A143 L148 V149 F157 V177 A180 I184L109-M145 HydrophobicContact CD1-CG 3.87Å; I134-M145 HydrophobicContact CD1-CE 4.46Å; I134-M145 HydrophobicContact CD1-CG 3.8Å; I134-M145 HydrophobicContact CD1-SD 3.81Å; I134-M145 HydrophobicContact CG1-SD 4.37Å; W137-M145 HydrophobicContact CH2-SD 4.28Å; W137-M145 HydrophobicContact CZ3-SD 3.68Å; V141-M145 HydrophobicContact CG1-SD 4.42Å; V141-M145 VanDerWaalsContact O-CG 3.3Å; V141-M145 WeakPolarHBondContact O-CG 3.48Å; V141-M145 PolarHBondContact O-N 3.12Å; K142-M145 WeakPolarHBondContact O-CB 3.34Å; K142-M145 PolarHBondContact O-N 2.95Å; A143-M145 PolarHBondContact O-N 3.47Å; M145-L148 PolarHBondContact O-N 3.39Å; M145-V149 WeakPolarHBondContact O-CG2 3.49Å; M145-V149 PolarHBondContact O-N 2.98Å; M145-V149 VanDerWaalsContact O-N 3.08Å; M145-F157 HydrophobicContact CB-CE1 4.11Å; M145-F157 HydrophobicContact CB-CE2 4.22Å; M145-F157 HydrophobicContact CB-CZ 3.74Å; M145-F157 HydrophobicContact CE-CD1 4.4Å; M145-F157 HydrophobicContact CE-CD2 3.72Å; M145-F157 HydrophobicContact CE-CE2 3.97Å; M145-F157 HydrophobicContact CE-CG 3.97Å; M145-F157 HydrophobicContact CE-CZ 4.39Å; M145-F157 HydrophobicContact CG-CD1 4.2Å; M145-F157 HydrophobicContact CG-CE1 3.78Å; M145-F157 HydrophobicContact CG-CE2 4.4Å; M145-F157 HydrophobicContact CG-CZ 3.9Å; M145-V177 HydrophobicContact CE-CG1 4.4Å; M145-A180 HydrophobicContact CE-CB 4.1Å; M145-A180 HydrophobicContact SD-CB 4.41Å; M145-I184 HydrophobicContact CB-CD1 3.92Å; M145-I184 HydrophobicContact CE-CD1 3.95Å
146E98.4Very high97.9Very high67 Ų6748 Ų4831%0.31324%0.239SC..Hα-helixtrans-61.2-44.3175.6-71.7173.5-162.600111.7K142 A143 E144 V149 R150 I184K142-E146 PolarHBondContact O-N 3.39Å; A143-E146 WeakPolarHBondContact O-CB 3.37Å; A143-E146 PolarHBondContact O-N 2.73Å; E144-E146 VanDerWaalsContact C-N 3.32Å; E144-E146 PolarHBondContact O-N 3.22Å; E146-V149 PolarHBondContact O-N 2.9Å; E146-R150 WeakPolarHBondContact O-CB 3.34Å; E146-R150 VanDerWaalsContact O-CG 3.27Å; E146-R150 WeakPolarHBondContact O-CG 3.35Å; E146-R150 PolarHBondContact O-N 2.78Å; E146-I184 HydrophobicContact CB-CG2 4.45Å; E146-I184 HydrophobicContact CG-CG2 3.5Å; E146-I184 VanDerWaalsContact CG-CG2 3.5Å
147T98.5Very high98Very high44 Ų4446.4 Ų46.427%0.2723%0.233SC..Hα-helixtrans-60.5-47.2175.1-620000111.8V110 A143 E144 V149 R150 E151V110-T147 HydrophobicContact CG2-CG2 4.14Å; A143-T147 PolarHBondContact O-N 3.25Å; A143-T147 PolarHBondContact O-OG1 3.05Å; E144-T147 PolarHBondContact O-N 3.09Å; T147-V149 VanDerWaalsContact C-N 3.3Å; T147-V149 PolarHBondContact O-N 3.04Å; T147-R150 PolarHBondContact O-N 2.98Å; T147-E151 WeakPolarHBondContact O-CB 3.35Å; T147-E151 PolarHBondContact O-N 3.4Å
148L98.7Very high98.1Very high0 Ų044.8 Ų44.80%023%0.227CC..Hα-helixtrans-59.6-40.1179.5-76.4168.6000112.3L109 V110 Y113 V132 E144 M145 K152 G153 V154 F157L109-L148 HydrophobicContact CB-CD1 3.72Å; L109-L148 HydrophobicContact CD1-CD1 4.21Å; V110-L148 HydrophobicContact CG2-CD2 4.4Å; V110-L148 HydrophobicContact CG2-CG 4.23Å; Y113-L148 HydrophobicContact CD1-CD2 4.1Å; Y113-L148 HydrophobicContact CD2-CD2 4.04Å; Y113-L148 HydrophobicContact CG-CD2 3.68Å; V132-L148 HydrophobicContact CB-CD1 4.25Å; V132-L148 HydrophobicContact CG1-CD1 3.98Å; V132-L148 HydrophobicContact CG2-CD1 4.08Å; E144-L148 WeakPolarHBondContact O-CB 3.24Å; E144-L148 WeakPolarHBondContact O-CG 3.5Å; E144-L148 PolarHBondContact O-N 3.1Å; M145-L148 PolarHBondContact O-N 3.39Å; L148-K152 HydrophobicContact CD2-CB 4.15Å; L148-K152 HydrophobicContact CD2-CG 4.16Å; L148-K152 CarbonylContact O-C 3.56Å; L148-K152 WeakPolarHBondContact O-CA 3.25Å; L148-K152 WeakPolarHBondContact O-CB 3.31Å; L148-K152 PolarHBondContact O-N 2.99Å; L148-G153 PolarHBondContact O-N 3.22Å; L148-G153 VanDerWaalsContact O-N 3.16Å; L148-V154 HydrophobicContact CB-CB 4.16Å; L148-V154 HydrophobicContact CB-CG2 4.42Å; L148-V154 HydrophobicContact CD2-CG2 4.29Å; L148-V154 PolarHBondContact O-N 2.76Å; L148-V154 VanDerWaalsContact O-N 3.16Å; L148-F157 HydrophobicContact CB-CE1 4.47Å; L148-F157 HydrophobicContact CB-CZ 4.3Å; L148-F157 HydrophobicContact CD1-CE1 3.95Å
149V98.4Very high98.2Very high16 Ų1643.6 Ų43.610%0.09722%0.218CC..Hα-helixtrans-70.3-49.9176.4174.30000111.9M145 E146 T147 V154 F157 I184 A186M145-V149 WeakPolarHBondContact O-CG2 3.49Å; M145-V149 PolarHBondContact O-N 2.98Å; M145-V149 VanDerWaalsContact O-N 3.08Å; E146-V149 PolarHBondContact O-N 2.9Å; T147-V149 VanDerWaalsContact C-N 3.3Å; T147-V149 PolarHBondContact O-N 3.04Å; V149-V154 VanDerWaalsContact CA-O 3.24Å; V149-V154 WeakPolarHBondContact CA-O 3.38Å; V149-V154 VanDerWaalsContact CG2-O 3.24Å; V149-V154 WeakPolarHBondContact CG2-O 3.46Å; V149-F157 HydrophobicContact CG2-CE2 3.78Å; V149-F157 HydrophobicContact CG2-CZ 3.95Å; V149-I184 HydrophobicContact CG2-CB 4.28Å; V149-I184 HydrophobicContact CG2-CD1 3.79Å; V149-I184 HydrophobicContact CG2-CG1 3.95Å; V149-A186 HydrophobicContact CG2-CB 4.32Å
150R97.5Very high98.2Very high202 Ų20238.6 Ų38.676%0.76218%0.184SC*.Hα-helixtrans-72.3-37.1-172.5-71.4174.8-179.9-1062.1112.9E146 T147E146-R150 WeakPolarHBondContact O-CB 3.34Å; E146-R150 VanDerWaalsContact O-CG 3.27Å; E146-R150 WeakPolarHBondContact O-CG 3.35Å; E146-R150 PolarHBondContact O-N 2.78Å; T147-R150 PolarHBondContact O-N 2.98Å
151E98Very high98.3Very high136 Ų13633.3 Ų33.364%0.63616%0.161SC*.Hα-helixtrans-115.8-26.8-166.8-59.2177.9-162.300113.5T147T147-E151 WeakPolarHBondContact O-CB 3.35Å; T147-E151 PolarHBondContact O-N 3.4Å
152K98Very high98.2Very high58 Ų5833.3 Ų33.325%0.25216%0.161SC..Hα-helixtrans-111.6-2.4-170.1-52.2-61.5-179.5169.90114.2Y113 E114 L148 V154 F461Y113-K152 HydrophobicContact CD1-CB 4.26Å; Y113-K152 HydrophobicContact CD1-CG 4.3Å; Y113-K152 HydrophobicContact CE1-CB 3.67Å; Y113-K152 HydrophobicContact CE1-CD 4.02Å; Y113-K152 HydrophobicContact CE1-CG 4Å; Y113-K152 HydrophobicContact CE2-CB 4.4Å; Y113-K152 PolarHBondContact OH-O 3.38Å; E114-K152 WeakPolarHBondContact OE1-CE 3.48Å; E114-K152 IonicContact OE1-NZ 3.7Å; E114-K152 PolarHBondContact OE1-NZ 2.91Å; L148-K152 HydrophobicContact CD2-CB 4.15Å; L148-K152 HydrophobicContact CD2-CG 4.16Å; L148-K152 CarbonylContact O-C 3.56Å; L148-K152 WeakPolarHBondContact O-CA 3.25Å; L148-K152 WeakPolarHBondContact O-CB 3.31Å; L148-K152 PolarHBondContact O-N 2.99Å; K152-V154 PolarHBondContact O-N 3.42Å; K152-F461 WeakPolarHBondContact O-CE1 3.33Å; K152-F461 WeakPolarHBondContact O-CZ 3.43Å
153G97.6Very high98.1Very high12 Ų1231 Ų3112%0.12415%0.151CC..  trans68.631.2175.900000113.8L148 L464L148-G153 PolarHBondContact O-N 3.22Å; L148-G153 VanDerWaalsContact O-N 3.16Å; G153-L464 CarbonylContact C-O 3.52Å; G153-L464 PolarHBondContact O-N 2.87Å
154V98.3Very high97.9Very high0 Ų032.2 Ų32.20%015%0.146CC..  trans-94.8128.6170.8175.60000108.1Y113 V132 L148 V149 K152 F157Y113-V154 HydrophobicContact CD2-CG2 3.75Å; Y113-V154 HydrophobicContact CE2-CG2 3.44Å; Y113-V154 VanDerWaalsContact CE2-CG2 3.44Å; V132-V154 HydrophobicContact CG2-CG1 3.99Å; V132-V154 HydrophobicContact CG2-CG2 4.18Å; L148-V154 HydrophobicContact CB-CB 4.16Å; L148-V154 HydrophobicContact CB-CG2 4.42Å; L148-V154 HydrophobicContact CD2-CG2 4.29Å; L148-V154 PolarHBondContact O-N 2.76Å; L148-V154 VanDerWaalsContact O-N 3.16Å; V149-V154 VanDerWaalsContact CA-O 3.24Å; V149-V154 WeakPolarHBondContact CA-O 3.38Å; V149-V154 VanDerWaalsContact CG2-O 3.24Å; V149-V154 WeakPolarHBondContact CG2-O 3.46Å; K152-V154 PolarHBondContact O-N 3.42Å; V154-F157 HydrophobicContact CG1-CE1 4.28Å; V154-F157 HydrophobicContact CG1-CZ 4.32Å
155N97.3Very high97.6Very high0 Ų038.3 Ų38.30%018%0.179CC..  trans-121.614.3178.475.1-7.7000113.7A186 I187 L385 L464 R465N155-A186 CarbonylContact O-C 3.5Å; N155-A186 VanDerWaalsContact O-CA 3.23Å; N155-A186 WeakPolarHBondContact O-CA 3.36Å; N155-A186 WeakPolarHBondContact O-CB 3.41Å; N155-I187 PolarHBondContact O-N 2.95Å; N155-L385 PolarHBondContact ND2-O 2.8Å; N155-L464 HydrophobicContact CB-CB 3.97Å; N155-L464 WeakPolarHBondContact ND2-CB 3.5Å; N155-L464 VanDerWaalsContact OD1-CD1 3.26Å; N155-L464 WeakPolarHBondContact OD1-CD1 3.5Å; N155-R465 PolarHBondContact ND2-O 3.2Å
156S98.4Very high97.3Very high1 Ų141.9 Ų41.91%0.00720%0.198CC..EExtended strand (participates in β ladder)trans-153.1132.4-170.133.20000111.5H131 V132 I187H131-S156 PolarHBondContact CE1-OG 3.44Å; H131-S156 WeakPolarHBondContact ND1-CB 3.43Å; H131-S156 PolarHBondContact ND1-OG 2.83Å; V132-S156 PolarHBondContact N-O 2.88Å; S156-I187 VanDerWaalsContact CA-O 3.32Å; S156-I187 WeakPolarHBondContact CA-O 3.45Å
157F98.8Very high97.1Very high0 Ų039.2 Ų39.20%019%0.185CC..EExtended strand (participates in β ladder)trans-124.3137-174.9-65.4-76.7000110.5V132 I134 M145 L148 V149 V154 M159 I184 A186 I187 R189V132-F157 HydrophobicContact CB-CD1 4.05Å; V132-F157 HydrophobicContact CB-CE1 4.16Å; V132-F157 CarbonylContact O-C 3.52Å; V132-F157 WeakPolarHBondContact O-CA 3.15Å; I134-F157 HydrophobicContact CD1-CB 4.39Å; I134-F157 HydrophobicContact CD1-CD1 3.71Å; I134-F157 HydrophobicContact CD1-CE1 4.37Å; I134-F157 HydrophobicContact CD1-CG 4.29Å; I134-F157 HydrophobicContact CG1-CB 3.95Å; I134-F157 HydrophobicContact CG1-CD1 4.21Å; I134-F157 HydrophobicContact CG1-CG 4.37Å; M145-F157 HydrophobicContact CB-CE1 4.11Å; M145-F157 HydrophobicContact CB-CE2 4.22Å; M145-F157 HydrophobicContact CB-CZ 3.74Å; M145-F157 HydrophobicContact CE-CD1 4.4Å; M145-F157 HydrophobicContact CE-CD2 3.72Å; M145-F157 HydrophobicContact CE-CE2 3.97Å; M145-F157 HydrophobicContact CE-CG 3.97Å; M145-F157 HydrophobicContact CE-CZ 4.39Å; M145-F157 HydrophobicContact CG-CD1 4.2Å; M145-F157 HydrophobicContact CG-CE1 3.78Å; M145-F157 HydrophobicContact CG-CE2 4.4Å; M145-F157 HydrophobicContact CG-CZ 3.9Å; L148-F157 HydrophobicContact CB-CE1 4.47Å; L148-F157 HydrophobicContact CB-CZ 4.3Å; L148-F157 HydrophobicContact CD1-CE1 3.95Å; V149-F157 HydrophobicContact CG2-CE2 3.78Å; V149-F157 HydrophobicContact CG2-CZ 3.95Å; V154-F157 HydrophobicContact CG1-CE1 4.28Å; V154-F157 HydrophobicContact CG1-CZ 4.32Å; F157-M159 HydrophobicContact CB-SD 4.15Å; F157-I184 HydrophobicContact CD2-CD1 4.36Å; F157-I184 HydrophobicContact CE2-CD1 3.61Å; F157-I184 HydrophobicContact CZ-CD1 4.31Å; F157-A186 HydrophobicContact CD2-CB 3.58Å; F157-A186 HydrophobicContact CE2-CB 3.57Å; F157-I187 PolarHBondContact N-O 3.35Å; F157-R189 WeakPolarHBondContact O-CB 3.32Å; F157-R189 PolarHBondContact O-N 2.89Å
158Q98.5Very high97.1Very high5 Ų539 Ų392%0.02318%0.182CC..EExtended strand (participates in β ladder)trans-102123.3-178.1178.670.646.500110.6V132 G133 I134 F160 R189V132-Q158 PolarHBondContact O-N 3.05Å; G133-Q158 CarbonylContact C-O 3.44Å; G133-Q158 VanDerWaalsContact CA-O 3.3Å; G133-Q158 WeakPolarHBondContact CA-O 3.36Å; I134-Q158 PolarHBondContact N-O 3.22Å; Q158-F160 HydrophobicContact CG-CD2 4.38Å; Q158-F160 HydrophobicContact CG-CE1 4.26Å; Q158-F160 HydrophobicContact CG-CE2 3.59Å; Q158-F160 HydrophobicContact CG-CZ 3.52Å; Q158-R189 CarbonylContact C-O 3.51Å; Q158-R189 WeakPolarHBondContact CA-O 3.3Å; Q158-R189 VanDerWaalsContact OE1-CB 3.3Å
159M98.6Very high97.1Very high0 Ų039 Ų390%018%0.182CC..EExtended strand (participates in β ladder)trans-112.8157.4173-66.272.870.400110I134 F157 L169 L174 V177 L178 A188 R189 V190 H191I134-M159 HydrophobicContact CB-CG 4.17Å; I134-M159 HydrophobicContact CB-SD 4.4Å; I134-M159 HydrophobicContact CG1-SD 4.17Å; F157-M159 HydrophobicContact CB-SD 4.15Å; M159-L169 HydrophobicContact CB-CD1 4.12Å; M159-L169 HydrophobicContact CG-CD1 3.77Å; M159-L174 HydrophobicContact CB-CD2 3.83Å; M159-L174 HydrophobicContact CG-CD2 4.17Å; M159-V177 HydrophobicContact CE-CG1 4.15Å; M159-V177 HydrophobicContact CG-CG1 3.77Å; M159-V177 HydrophobicContact SD-CG1 3.61Å; M159-L178 HydrophobicContact CE-CD2 3.92Å; M159-A188 HydrophobicContact CE-CB 3.48Å; M159-A188 VanDerWaalsContact CE-CB 3.48Å; M159-R189 PolarHBondContact N-O 2.97Å; M159-V190 HydrophobicContact CB-CG2 4.23Å; M159-V190 HydrophobicContact CE-CG2 3.81Å; M159-V190 WeakPolarHBondContact O-CA 3.26Å; M159-H191 PolarHBondContact O-N 3.21Å
160F98.5Very high97Very high9 Ų944.4 Ų44.44%0.03920%0.2CC..EExtended strand (participates in β ladder)trans-126.8132.1-180-60.6-93.6000109.8L102 Q158 Y163 Y167 M168 L169 H191L102-F160 HydrophobicContact CD1-CZ 4.31Å; L102-F160 HydrophobicContact CD2-CE2 3.86Å; L102-F160 HydrophobicContact CD2-CZ 3.85Å; Q158-F160 HydrophobicContact CG-CD2 4.38Å; Q158-F160 HydrophobicContact CG-CE1 4.26Å; Q158-F160 HydrophobicContact CG-CE2 3.59Å; Q158-F160 HydrophobicContact CG-CZ 3.52Å; F160-Y163 AromaticContact CD1-CD2 3.78Å; F160-Y163 HydrophobicContact CD1-CD2 3.78Å; F160-Y163 AromaticContact CD1-CE2 3.93Å; F160-Y163 HydrophobicContact CD1-CE2 3.93Å; F160-Y163 HydrophobicContact CE1-CD2 4.31Å; F160-Y163 HydrophobicContact CE1-CE2 4.15Å; F160-Y163 HydrophobicContact CG-CD2 4.41Å; F160-Y167 HydrophobicContact CD1-CD2 4.49Å; F160-Y167 HydrophobicContact CD2-CD2 4.28Å; F160-Y167 HydrophobicContact CD2-CG 4.16Å; F160-Y167 HydrophobicContact CE1-CD2 4.48Å; F160-Y167 HydrophobicContact CE2-CD2 4.26Å; F160-Y167 HydrophobicContact CE2-CG 4.4Å; F160-Y167 HydrophobicContact CG-CD2 4.39Å; F160-Y167 HydrophobicContact CG-CG 4.48Å; F160-Y167 HydrophobicContact CZ-CD2 4.35Å; F160-M168 WeakPolarHBondContact O-CA 3.44Å; F160-L169 PolarHBondContact O-N 3.08Å; F160-H191 HydrophobicContact CD1-CB 3.63Å; F160-H191 HydrophobicContact CE1-CB 4.11Å; F160-H191 HydrophobicContact CG-CB 4.42Å
161M98.7Very high97.1Very high0 Ų038.1 Ų38.10%018%0.182CC..SBendtrans-95.5-3.6167.9-60.7175.772.200111.8M168 L174 V190 H191 A192 E193 G195 A228 R231 V232M161-M168 WeakPolarHBondContact O-CE 3.21Å; M161-L174 HydrophobicContact CG-CD1 3.92Å; M161-V190 HydrophobicContact CG-CG1 3.84Å; M161-V190 HydrophobicContact SD-CG1 3.78Å; M161-H191 PolarHBondContact N-O 3.07Å; M161-A192 HydrophobicContact SD-CB 4.21Å; M161-E193 CarbonylContact C-O 3.5Å; M161-E193 VanDerWaalsContact CB-O 3.25Å; M161-E193 WeakPolarHBondContact CB-O 3.39Å; M161-G195 WeakPolarHBondContact O-CA 3.33Å; M161-G195 PolarHBondContact O-N 3.2Å; M161-A228 HydrophobicContact CE-CB 3.71Å; M161-A228 WeakPolarHBondContact CE-O 3.35Å; M161-A228 HydrophobicContact SD-CB 4Å; M161-R231 HydrophobicContact CE-CB 4.26Å; M161-R231 HydrophobicContact CE-CG 4.19Å; M161-V232 HydrophobicContact CE-CB 4.37Å; M161-V232 HydrophobicContact SD-CB 3.72Å; M161-V232 HydrophobicContact SD-CG1 4.21Å; M161-V232 HydrophobicContact SD-CG2 4.37Å
162T96.3Very high97.1Very high1 Ų134.9 Ų34.91%0.00617%0.174CC..  trans-118.9-174.5179.1-166.50000111M168 H191T162-M168 WeakPolarHBondContact O-CA 3.28Å; T162-M168 WeakPolarHBondContact O-CB 3.44Å; T162-M168 PolarHBondContact O-N 3.07Å; T162-H191 WeakPolarHBondContact CG2-CD2 3.34Å; T162-H191 WeakPolarHBondContact CG2-NE2 3.48Å
163Y95.9Very high97.1Very high28 Ų2834 Ų3411%0.1117%0.171CC..SBendtrans59.460.2-173.2-54.1-63000111.2F73 F160 D165 L166 Y167 M168 H346F73-Y163 HydrophobicContact CZ-CD1 4.37Å; F73-Y163 AromaticContact CZ-CE1 3.74Å; F73-Y163 HydrophobicContact CZ-CE1 3.74Å; F73-Y163 AromaticContact CZ-CZ 3.87Å; F160-Y163 AromaticContact CD1-CD2 3.78Å; F160-Y163 HydrophobicContact CD1-CD2 3.78Å; F160-Y163 AromaticContact CD1-CE2 3.93Å; F160-Y163 HydrophobicContact CD1-CE2 3.93Å; F160-Y163 HydrophobicContact CE1-CD2 4.31Å; F160-Y163 HydrophobicContact CE1-CE2 4.15Å; F160-Y163 HydrophobicContact CG-CD2 4.41Å; Y163-D165 PolarHBondContact O-N 3.43Å; Y163-L166 PolarHBondContact O-N 2.7Å; Y163-Y167 AromaticContact CD2-CD2 3.84Å; Y163-Y167 HydrophobicContact CD2-CD2 3.84Å; Y163-Y167 HydrophobicContact CG-CD2 4.2Å; Y163-Y167 PolarHBondContact O-N 3.4Å; Y163-M168 PolarHBondContact O-N 3.48Å; Y163-H346 AromaticContact CE1-CE1 3.92Å; Y163-H346 AromaticContact CE1-ND1 3.56Å
164K94.5Very high97.1Very high76 Ų7633.4 Ų33.433%0.3317%0.165SC..THydrogen-bonded Turntrans-47.3138.4174-173.7176.5176.1171.10110.1L166 M168 E196 A199K164-L166 PolarHBondContact O-N 3.48Å; K164-M168 HydrophobicContact CB-SD 4.28Å; K164-E196 WeakPolarHBondContact CD-OE2 3.44Å; K164-E196 WeakPolarHBondContact CE-OE2 3.4Å; K164-E196 IonicContact NZ-OE2 3.19Å; K164-E196 PolarHBondContact NZ-OE2 3.02Å; K164-A199 HydrophobicContact CD-CB 3.93Å
165D91.3Very high97.1Very high149 Ų14937.5 Ų37.580%0.79718%0.181SC*.THydrogen-bonded Turntrans65.2-8.2-176.1-52.6-46.1000117.1Y163Y163-D165 PolarHBondContact O-N 3.43Å
166L92.4Very high97.2Very high76 Ų7642 Ų4240%0.39820%0.202SC..THydrogen-bonded Turntrans-107.5-61.3178.9-17566000112.4F73 Y163 K164F73-L166 HydrophobicContact CE2-CD2 4.32Å; Y163-L166 PolarHBondContact O-N 2.7Å; K164-L166 PolarHBondContact O-N 3.48Å
167Y95.8Very high97.2Very high11 Ų1141.9 Ų41.94%0.04320%0.202CC..THydrogen-bonded Turntrans-126.7-13.3-175.1-57.4-36.4000114.4F73 L102 T135 F160 Y163 L169F73-Y167 HydrophobicContact CD2-CE2 4.33Å; F73-Y167 AromaticContact CE2-CE2 3.9Å; F73-Y167 HydrophobicContact CE2-CE2 3.9Å; L102-Y167 HydrophobicContact CD1-CE2 4.22Å; T135-Y167 HydrophobicContact CG2-CD1 3.25Å; T135-Y167 HydrophobicContact CG2-CE1 3.75Å; T135-Y167 HydrophobicContact CG2-CG 3.95Å; F160-Y167 HydrophobicContact CD1-CD2 4.49Å; F160-Y167 HydrophobicContact CD2-CD2 4.28Å; F160-Y167 HydrophobicContact CD2-CG 4.16Å; F160-Y167 HydrophobicContact CE1-CD2 4.48Å; F160-Y167 HydrophobicContact CE2-CD2 4.26Å; F160-Y167 HydrophobicContact CE2-CG 4.4Å; F160-Y167 HydrophobicContact CG-CD2 4.39Å; F160-Y167 HydrophobicContact CG-CG 4.48Å; F160-Y167 HydrophobicContact CZ-CD2 4.35Å; Y163-Y167 AromaticContact CD2-CD2 3.84Å; Y163-Y167 HydrophobicContact CD2-CD2 3.84Å; Y163-Y167 HydrophobicContact CG-CD2 4.2Å; Y163-Y167 PolarHBondContact O-N 3.4Å; Y167-L169 PolarHBondContact O-N 2.98Å
168M97.7Very high97.2Very high38 Ų3841.9 Ų41.919%0.18720%0.202CC..BIsolated β-bridgetrans-60.7128.6-172-174170.5177.100112.4F160 M161 T162 Y163 K164 E196F160-M168 WeakPolarHBondContact O-CA 3.44Å; M161-M168 WeakPolarHBondContact O-CE 3.21Å; T162-M168 WeakPolarHBondContact O-CA 3.28Å; T162-M168 WeakPolarHBondContact O-CB 3.44Å; T162-M168 PolarHBondContact O-N 3.07Å; Y163-M168 PolarHBondContact O-N 3.48Å; K164-M168 HydrophobicContact CB-SD 4.28Å; M168-E196 HydrophobicContact CE-CG 3.9Å
169L98.1Very high97.1Very high2 Ų244.8 Ų44.81%0.0122%0.215CC..PPolyproline II helixtrans-101140.6169.1-62.2-178.4000110.6I134 M159 F160 Y167 E173 L174 V177I134-L169 HydrophobicContact CG2-CD1 4.21Å; M159-L169 HydrophobicContact CB-CD1 4.12Å; M159-L169 HydrophobicContact CG-CD1 3.77Å; F160-L169 PolarHBondContact O-N 3.08Å; Y167-L169 PolarHBondContact O-N 2.98Å; L169-E173 HydrophobicContact CB-CB 4.23Å; L169-E173 HydrophobicContact CD2-CB 4.38Å; L169-L174 HydrophobicContact CB-CD2 3.9Å; L169-L174 HydrophobicContact CB-CG 3.8Å; L169-L174 HydrophobicContact CD1-CD2 3.94Å; L169-V177 HydrophobicContact CD1-CG2 4.06Å
170R97.7Very high97.1Very high128 Ų12844.9 Ų44.948%0.48322%0.216SC..PPolyproline II helixtrans-75.3161.3170.9-65.4-176.8-69.4-174.6-2110.9S172 E173 L174 E530R170-S172 PolarHBondContact O-N 2.93Å; R170-S172 VanDerWaalsContact O-N 3.16Å; R170-E173 WeakPolarHBondContact CB-OE2 3.37Å; R170-E173 PolarHBondContact N-OE2 3.07Å; R170-E173 IonicContact NE-OE2 3.03Å; R170-E173 WeakPolarHBondContact O-CA 3.37Å; R170-E173 WeakPolarHBondContact O-CB 3.29Å; R170-E173 PolarHBondContact O-N 3.36Å; R170-L174 PolarHBondContact O-N 3.01Å; R170-E530 IonicContact NH1-OE1 2.89Å; R170-E530 PolarHBondContact NH1-OE1 3.35Å
171D98.5Very high97Very high71 Ų7144.4 Ų44.438%0.3821%0.214SC..Hα-helixtrans-55.5-37-178.9-72.4-4000113.4E173 Y175 R231 I235D171-E173 VanDerWaalsContact C-N 3.35Å; D171-Y175 VanDerWaalsContact O-CB 3.3Å; D171-Y175 WeakPolarHBondContact O-CB 3.42Å; D171-Y175 PolarHBondContact O-N 2.79Å; D171-R231 IonicContact OD1-CZ 3.34Å; D171-R231 IonicContact OD1-NH1 2.88Å; D171-R231 PolarHBondContact OD1-NH1 2.87Å; D171-R231 WeakPolarHBondContact OD2-CD 3.3Å; D171-I235 HydrophobicContact CB-CD1 4.08Å
172S97.9Very high96.9Very high67 Ų6745.9 Ų45.947%0.46922%0.22SC..Hα-helixtrans-68.9-31.6177.559.20000113.1R170 Q176R170-S172 PolarHBondContact O-N 2.93Å; R170-S172 VanDerWaalsContact O-N 3.16Å; S172-Q176 WeakPolarHBondContact O-CG 3.49Å; S172-Q176 PolarHBondContact O-N 2.93Å; S172-Q176 PolarHBondContact O-NE2 3.24Å
173E98.1Very high96.9Very high39 Ų3949.9 Ų49.918%0.18224%0.241CC..Hα-helixtrans-77.2-46.7174.9-65.7166.4141.600109.9W137 L169 R170 D171 Y175 Q176 V177W137-E173 HydrophobicContact CB-CB 4.12Å; W137-E173 HydrophobicContact CB-CG 4.14Å; W137-E173 HydrophobicContact CG-CB 4.48Å; L169-E173 HydrophobicContact CB-CB 4.23Å; L169-E173 HydrophobicContact CD2-CB 4.38Å; R170-E173 WeakPolarHBondContact CB-OE2 3.37Å; R170-E173 PolarHBondContact N-OE2 3.07Å; R170-E173 IonicContact NE-OE2 3.03Å; R170-E173 WeakPolarHBondContact O-CA 3.37Å; R170-E173 WeakPolarHBondContact O-CB 3.29Å; R170-E173 PolarHBondContact O-N 3.36Å; D171-E173 VanDerWaalsContact C-N 3.35Å; E173-Y175 VanDerWaalsContact C-N 3.29Å; E173-Y175 PolarHBondContact O-N 3.28Å; E173-Q176 PolarHBondContact O-N 2.84Å; E173-V177 WeakPolarHBondContact O-CG2 3.45Å; E173-V177 PolarHBondContact O-N 3.16Å
174L98.2Very high97Very high0 Ų049.2 Ų49.20%024%0.24CC..Hα-helixtrans-54.2-45.8173.1-74170.4000111.3M159 M161 L169 R170 Q176 V177 L178M159-L174 HydrophobicContact CB-CD2 3.83Å; M159-L174 HydrophobicContact CG-CD2 4.17Å; M161-L174 HydrophobicContact CG-CD1 3.92Å; L169-L174 HydrophobicContact CB-CD2 3.9Å; L169-L174 HydrophobicContact CB-CG 3.8Å; L169-L174 HydrophobicContact CD1-CD2 3.94Å; R170-L174 PolarHBondContact O-N 3.01Å; L174-Q176 VanDerWaalsContact C-N 3.29Å; L174-Q176 PolarHBondContact O-N 3.44Å; L174-V177 PolarHBondContact O-N 2.99Å; L174-L178 WeakPolarHBondContact O-CB 3.19Å; L174-L178 WeakPolarHBondContact O-CG 3.45Å; L174-L178 PolarHBondContact O-N 3.1Å
175Y98.6Very high97.1Very high87 Ų8745.6 Ų45.634%0.34122%0.224SC..Hα-helixtrans-54.2-45.9175.5-179.7-87.4000112.1D171 E173 H179 I235 R238 T239D171-Y175 VanDerWaalsContact O-CB 3.3Å; D171-Y175 WeakPolarHBondContact O-CB 3.42Å; D171-Y175 PolarHBondContact O-N 2.79Å; E173-Y175 VanDerWaalsContact C-N 3.29Å; E173-Y175 PolarHBondContact O-N 3.28Å; Y175-H179 AromaticContact CE1-CD2 3.7Å; Y175-H179 AromaticContact CZ-CD2 3.81Å; Y175-H179 PolarHBondContact O-N 2.69Å; Y175-H179 VanDerWaalsContact O-N 3.1Å; Y175-I235 HydrophobicContact CD2-CG2 4.16Å; Y175-R238 HydrophobicContact CE2-CG 3.94Å; Y175-T239 HydrophobicContact CD2-CG2 3.46Å; Y175-T239 VanDerWaalsContact CD2-CG2 3.46Å; Y175-T239 HydrophobicContact CE2-CG2 3.47Å; Y175-T239 VanDerWaalsContact CE2-CG2 3.47Å; Y175-T239 HydrophobicContact CG-CG2 4.02Å
176Q98.5Very high97.5Very high93 Ų9338.5 Ų38.544%0.43519%0.186SC..Hα-helixtrans-70.2-41.8-179.5-68.9173.259.300112.3W137 S172 E173 L174 H179 A180W137-Q176 HydrophobicContact CZ2-CB 3.76Å; S172-Q176 WeakPolarHBondContact O-CG 3.49Å; S172-Q176 PolarHBondContact O-N 2.93Å; S172-Q176 PolarHBondContact O-NE2 3.24Å; E173-Q176 PolarHBondContact O-N 2.84Å; L174-Q176 VanDerWaalsContact C-N 3.29Å; L174-Q176 PolarHBondContact O-N 3.44Å; Q176-H179 WeakPolarHBondContact O-CB 3.46Å; Q176-H179 PolarHBondContact O-N 2.98Å; Q176-A180 PolarHBondContact O-N 3.09Å
177V98.5Very high97.7Very high0 Ų035.1 Ų35.10%017%0.168CC..Hα-helixtrans-62.4-43.3176.4175.20000111.1I134 W137 M145 M159 L169 E173 L174 H179 A180 C181I134-V177 HydrophobicContact CG1-CG1 4.3Å; I134-V177 HydrophobicContact CG2-CG1 4.31Å; I134-V177 HydrophobicContact CG2-CG2 3.85Å; W137-V177 HydrophobicContact CD2-CG2 3.72Å; W137-V177 HydrophobicContact CE3-CB 4.5Å; W137-V177 HydrophobicContact CE3-CG2 3.31Å; W137-V177 HydrophobicContact CG-CG2 4.33Å; W137-V177 HydrophobicContact CH2-CG2 4.24Å; W137-V177 HydrophobicContact CZ3-CB 4.39Å; W137-V177 HydrophobicContact CZ3-CG2 3.61Å; M145-V177 HydrophobicContact CE-CG1 4.4Å; M159-V177 HydrophobicContact CE-CG1 4.15Å; M159-V177 HydrophobicContact CG-CG1 3.77Å; M159-V177 HydrophobicContact SD-CG1 3.61Å; L169-V177 HydrophobicContact CD1-CG2 4.06Å; E173-V177 WeakPolarHBondContact O-CG2 3.45Å; E173-V177 PolarHBondContact O-N 3.16Å; L174-V177 PolarHBondContact O-N 2.99Å; V177-H179 VanDerWaalsContact C-N 3.33Å; V177-H179 PolarHBondContact O-N 3.16Å; V177-A180 WeakPolarHBondContact O-CB 3.49Å; V177-A180 PolarHBondContact O-N 3.27Å; V177-C181 PolarHBondContact O-N 2.88Å; V177-C181 PolarHBondContact O-SG 3.34Å
178L98.4Very high97.8Very high0 Ų034.6 Ų34.60%017%0.166CC..Hα-helixtrans-65.9-37.1178.3-68178.1000111.8M159 L174 C181 K182 A188 I235 A236 T239 C241 I243M159-L178 HydrophobicContact CE-CD2 3.92Å; L174-L178 WeakPolarHBondContact O-CB 3.19Å; L174-L178 WeakPolarHBondContact O-CG 3.45Å; L174-L178 PolarHBondContact O-N 3.1Å; L178-C181 PolarHBondContact O-N 3.49Å; L178-K182 PolarHBondContact O-N 2.81Å; L178-A188 HydrophobicContact CD2-CB 3.3Å; L178-I235 HydrophobicContact CD1-CB 4.24Å; L178-I235 HydrophobicContact CD1-CG2 3.76Å; L178-A236 HydrophobicContact CD1-CB 4.09Å; L178-T239 HydrophobicContact CB-CG2 4.24Å; L178-C241 HydrophobicContact CB-CB 3.98Å; L178-C241 HydrophobicContact CD2-CB 4.48Å; L178-C241 WeakPolarHBondContact O-CB 3.37Å; L178-C241 PolarHBondContact O-SG 2.88Å; L178-I243 HydrophobicContact CD2-CD1 3.85Å
179H96.7Very high97.9Very high65 Ų6532.9 Ų32.930%0.30116%0.157SC..Hα-helixtrans-60.4-46.5170.2-119.7-67.6000111.7Y175 Q176 V177 C181 K182 D183Y175-H179 AromaticContact CE1-CD2 3.7Å; Y175-H179 AromaticContact CZ-CD2 3.81Å; Y175-H179 PolarHBondContact O-N 2.69Å; Y175-H179 VanDerWaalsContact O-N 3.1Å; Q176-H179 WeakPolarHBondContact O-CB 3.46Å; Q176-H179 PolarHBondContact O-N 2.98Å; V177-H179 VanDerWaalsContact C-N 3.33Å; V177-H179 PolarHBondContact O-N 3.16Å; H179-C181 PolarHBondContact O-N 3.25Å; H179-K182 WeakPolarHBondContact O-CB 3.46Å; H179-K182 PolarHBondContact O-N 3.39Å; H179-D183 VanDerWaalsContact O-CG 3.3Å; H179-D183 PolarHBondContact O-N 3.36Å
180A98.1Very high97.9Very high2 Ų232.8 Ų32.82%0.01716%0.157CC..Hα-helixtrans-61.9-43.8177.100000112.1W137 K142 M145 Q176 V177 K182 D183 I184W137-A180 HydrophobicContact CH2-CB 3.83Å; K142-A180 HydrophobicContact CD-CB 4.46Å; K142-A180 HydrophobicContact CG-CB 4.1Å; M145-A180 HydrophobicContact CE-CB 4.1Å; M145-A180 HydrophobicContact SD-CB 4.41Å; Q176-A180 PolarHBondContact O-N 3.09Å; V177-A180 WeakPolarHBondContact O-CB 3.49Å; V177-A180 PolarHBondContact O-N 3.27Å; A180-K182 VanDerWaalsContact C-N 3.33Å; A180-K182 PolarHBondContact O-N 2.51Å; A180-D183 PolarHBondContact O-N 2.84Å; A180-I184 VanDerWaalsContact O-CG1 3.26Å; A180-I184 WeakPolarHBondContact O-CG1 3.27Å; A180-I184 PolarHBondContact O-N 3.23Å; A180-I184 VanDerWaalsContact O-N 3.1Å
181C98.3Very high97.9Very high0 Ų026.9 Ų26.90%014%0.135CC..Hα-helixtrans-58.9-42.6175.3-69.20000111.9V177 L178 H179 G185 A186 A188 Y472V177-C181 PolarHBondContact O-N 2.88Å; V177-C181 PolarHBondContact O-SG 3.34Å; L178-C181 PolarHBondContact O-N 3.49Å; H179-C181 PolarHBondContact O-N 3.25Å; C181-G185 PolarHBondContact O-N 3.5Å; C181-A186 PolarHBondContact O-N 3.23Å; C181-A188 HydrophobicContact CB-CB 4.33Å; C181-Y472 PolarHBondContact O-OH 3.1Å; C181-Y472 VanDerWaalsContact O-OH 3.09Å
182K96.4Very high98Very high31 Ų3123.8 Ų23.814%0.13512%0.119CC..Hα-helixtrans-58.2-51.4174171.6-178.8177.5-76.30111L178 H179 A180 I184 G185 T239 H240 C241 E479L178-K182 PolarHBondContact O-N 2.81Å; H179-K182 WeakPolarHBondContact O-CB 3.46Å; H179-K182 PolarHBondContact O-N 3.39Å; A180-K182 VanDerWaalsContact C-N 3.33Å; A180-K182 PolarHBondContact O-N 2.51Å; K182-I184 VanDerWaalsContact C-N 3.31Å; K182-I184 PolarHBondContact O-N 2.84Å; K182-G185 PolarHBondContact O-N 3.31Å; K182-T239 WeakPolarHBondContact CD-O 3.44Å; K182-H240 HydrophobicContact CD-CB 4.15Å; K182-C241 HydrophobicContact CB-CB 4.38Å; K182-E479 WeakPolarHBondContact CE-OE2 3.48Å; K182-E479 VanDerWaalsContact NZ-CD 3.3Å; K182-E479 IonicContact NZ-OE1 3.84Å; K182-E479 PolarHBondContact NZ-OE1 3.16Å; K182-E479 IonicContact NZ-OE2 2.76Å; K182-E479 PolarHBondContact NZ-OE2 2.86Å
183D96.4Very high98Very high84 Ų8420.7 Ų20.745%0.44910%0.097SC..Hα-helixtrans-62.6-36.6-173.4-68.4-15.3000112.4H179 A180H179-D183 VanDerWaalsContact O-CG 3.3Å; H179-D183 PolarHBondContact O-N 3.36Å; A180-D183 PolarHBondContact O-N 2.84Å
184I97.5Very high98Very high15 Ų1519.8 Ų19.88%0.0779%0.094CC..Hα-helixtrans-92.5-2.6-179.570.6-165.2000113.8M145 E146 V149 F157 A180 K182 A186 S466M145-I184 HydrophobicContact CB-CD1 3.92Å; M145-I184 HydrophobicContact CE-CD1 3.95Å; E146-I184 HydrophobicContact CB-CG2 4.45Å; E146-I184 HydrophobicContact CG-CG2 3.5Å; E146-I184 VanDerWaalsContact CG-CG2 3.5Å; V149-I184 HydrophobicContact CG2-CB 4.28Å; V149-I184 HydrophobicContact CG2-CD1 3.79Å; V149-I184 HydrophobicContact CG2-CG1 3.95Å; F157-I184 HydrophobicContact CD2-CD1 4.36Å; F157-I184 HydrophobicContact CE2-CD1 3.61Å; F157-I184 HydrophobicContact CZ-CD1 4.31Å; A180-I184 VanDerWaalsContact O-CG1 3.26Å; A180-I184 WeakPolarHBondContact O-CG1 3.27Å; A180-I184 PolarHBondContact O-N 3.23Å; A180-I184 VanDerWaalsContact O-N 3.1Å; K182-I184 VanDerWaalsContact C-N 3.31Å; K182-I184 PolarHBondContact O-N 2.84Å; I184-A186 HydrophobicContact CD1-CB 4.03Å; I184-A186 HydrophobicContact CG1-CB 3.73Å; I184-S466 VanDerWaalsContact O-CB 3.26Å; I184-S466 WeakPolarHBondContact O-CB 3.44Å
185G97Very high98Very high0 Ų019.9 Ų19.90%09%0.094CC..THydrogen-bonded Turntrans74.326.1-18000000114.6C181 K182 S466 F467 Y472C181-G185 PolarHBondContact O-N 3.5Å; K182-G185 PolarHBondContact O-N 3.31Å; G185-S466 CarbonylContact O-C 3.1Å; G185-S466 WeakPolarHBondContact O-CA 3.26Å; G185-S466 WeakPolarHBondContact O-CB 3.39Å; G185-F467 VanDerWaalsContact CA-CE1 3.41Å; G185-F467 VanDerWaalsContact CA-CZ 3.47Å; G185-F467 PolarHBondContact O-N 3.01Å; G185-Y472 VanDerWaalsContact C-CZ 3.44Å; G185-Y472 VanDerWaalsContact CA-CZ 3.41Å; G185-Y472 VanDerWaalsContact CA-OH 3.25Å; G185-Y472 WeakPolarHBondContact CA-OH 3.4Å; G185-Y472 WeakPolarHBondContact O-CE2 3.48Å
186A98Very high98Very high0 Ų019.8 Ų19.80%010%0.097CC..  trans-96.6150.7-179.100000113.5V149 N155 F157 C181 I184 Y472V149-A186 HydrophobicContact CG2-CB 4.32Å; N155-A186 CarbonylContact O-C 3.5Å; N155-A186 VanDerWaalsContact O-CA 3.23Å; N155-A186 WeakPolarHBondContact O-CA 3.36Å; N155-A186 WeakPolarHBondContact O-CB 3.41Å; F157-A186 HydrophobicContact CD2-CB 3.58Å; F157-A186 HydrophobicContact CE2-CB 3.57Å; C181-A186 PolarHBondContact O-N 3.23Å; I184-A186 HydrophobicContact CD1-CB 4.03Å; I184-A186 HydrophobicContact CG1-CB 3.73Å; A186-Y472 PolarHBondContact N-OH 3.08Å; A186-Y472 VanDerWaalsContact N-OH 3.07Å; A186-Y472 PolarHBondContact O-OH 3.43Å
187I97.5Very high98Very high4 Ų419.6 Ų19.62%0.02110%0.099CC..EExtended strand (participates in β ladder)trans-79.2122.2176.2-55150000108.9N155 S156 F157 R189 Y244 L384 P468N155-I187 PolarHBondContact O-N 2.95Å; S156-I187 VanDerWaalsContact CA-O 3.32Å; S156-I187 WeakPolarHBondContact CA-O 3.45Å; F157-I187 PolarHBondContact N-O 3.35Å; I187-R189 HydrophobicContact CG2-CG 4.4Å; I187-R189 PolarHBondContact O-N 3.47Å; I187-Y244 HydrophobicContact CG2-CG 4.46Å; I187-L384 HydrophobicContact CD1-CD1 3.78Å; I187-L384 HydrophobicContact CD1-CG 3.89Å; I187-L384 VanDerWaalsContact CD1-O 3.24Å; I187-L384 WeakPolarHBondContact CD1-O 3.31Å; I187-L384 HydrophobicContact CG1-CD1 4.05Å; I187-L384 HydrophobicContact CG2-CD1 4.04Å; I187-P468 HydrophobicContact CD1-CG 4.09Å; I187-P468 HydrophobicContact CG1-CG 3.91Å
188A98.5Very high98Very high0 Ų019.9 Ų19.90%010%0.101CC..EExtended strand (participates in β ladder)trans-83.4108.9172.400000110.3M159 L178 C181 I243 Y244M159-A188 HydrophobicContact CE-CB 3.48Å; M159-A188 VanDerWaalsContact CE-CB 3.48Å; L178-A188 HydrophobicContact CD2-CB 3.3Å; C181-A188 HydrophobicContact CB-CB 4.33Å; A188-I243 HydrophobicContact CB-CD1 3.91Å; A188-Y244 PolarHBondContact O-N 3.08Å
189R98.5Very high98Very high2 Ų221.5 Ų21.51%0.00811%0.114CC..EExtended strand (participates in β ladder)trans-94.5132.2174.1-53.7-177.551.9127.51109.7T65 H131 F157 Q158 M159 I187 Y244 V246 E270T65-R189 PolarHBondContact O-NH1 3.28Å; T65-R189 PolarHBondContact O-NH2 2.89Å; H131-R189 PolarHBondContact CD2-NH1 2.74Å; H131-R189 VanDerWaalsContact CD2-NH1 3.28Å; H131-R189 PolarHBondContact CE1-NH1 2.82Å; H131-R189 PolarHBondContact NE2-NH1 2.82Å; F157-R189 WeakPolarHBondContact O-CB 3.32Å; F157-R189 PolarHBondContact O-N 2.89Å; Q158-R189 CarbonylContact C-O 3.51Å; Q158-R189 WeakPolarHBondContact CA-O 3.3Å; Q158-R189 VanDerWaalsContact OE1-CB 3.3Å; M159-R189 PolarHBondContact N-O 2.97Å; I187-R189 HydrophobicContact CG2-CG 4.4Å; I187-R189 PolarHBondContact O-N 3.47Å; R189-Y244 CarbonylContact C-O 3.5Å; R189-Y244 VanDerWaalsContact CA-O 3.24Å; R189-Y244 WeakPolarHBondContact CA-O 3.41Å; R189-Y244 HydrophobicContact CB-CD1 4.19Å; R189-Y244 HydrophobicContact CG-CD1 3.73Å; R189-Y244 HydrophobicContact CG-CG 4.47Å; R189-V246 HydrophobicContact CB-CG1 4.04Å; R189-E270 IonicContact NH2-OE1 2.7Å; R189-E270 PolarHBondContact NH2-OE1 2.81Å; R189-E270 IonicContact NH2-OE2 3.84Å
190V98.8Very high98Very high0 Ų022.5 Ų22.50%012%0.119CC..EExtended strand (participates in β ladder)trans-134124.8-177.2-174.60000112.2M159 M161 V232 I243 Y244 V246M159-V190 HydrophobicContact CB-CG2 4.23Å; M159-V190 HydrophobicContact CE-CG2 3.81Å; M159-V190 WeakPolarHBondContact O-CA 3.26Å; M161-V190 HydrophobicContact CG-CG1 3.84Å; M161-V190 HydrophobicContact SD-CG1 3.78Å; V190-V232 HydrophobicContact CB-CG2 4.18Å; V190-V232 HydrophobicContact CG1-CB 4.47Å; V190-V232 HydrophobicContact CG1-CG2 4Å; V190-V232 HydrophobicContact CG2-CG2 3.9Å; V190-I243 HydrophobicContact CB-CD1 4.4Å; V190-I243 HydrophobicContact CG2-CD1 3.51Å; V190-I243 HydrophobicContact CG2-CG1 4.39Å; V190-Y244 PolarHBondContact N-O 2.76Å; V190-V246 WeakPolarHBondContact O-CG2 3.3Å; V190-V246 PolarHBondContact O-N 3.29Å
191H98.6Very high98Very high5 Ų523 Ų232%0.02312%0.124CC..EExtended strand (participates in β ladder)trans-80.7109.3165.4-174.5121.5000108.2M159 F160 M161 T162 E193 V246 N247 V297M159-H191 PolarHBondContact O-N 3.21Å; F160-H191 HydrophobicContact CD1-CB 3.63Å; F160-H191 HydrophobicContact CE1-CB 4.11Å; F160-H191 HydrophobicContact CG-CB 4.42Å; M161-H191 PolarHBondContact N-O 3.07Å; T162-H191 WeakPolarHBondContact CG2-CD2 3.34Å; T162-H191 WeakPolarHBondContact CG2-NE2 3.48Å; H191-E193 IonicContact CD2-OE2 3.69Å; H191-E193 IonicContact CE1-OE2 3.45Å; H191-E193 IonicContact NE2-OE2 3.62Å; H191-E193 PolarHBondContact NE2-OE2 3.46Å; H191-V246 HydrophobicContact CB-CG2 4.17Å; H191-N247 PolarHBondContact CE1-ND2 2.76Å; H191-N247 PolarHBondContact ND1-ND2 2.9Å; H191-V297 PolarHBondContact CE1-O 3.28Å; H191-V297 VanDerWaalsContact CE1-O 3.32Å
192A98.6Very high98Very high6 Ų623.6 Ų23.65%0.0513%0.129CC..  trans-107.484.9-166.200000112.2M161 E225 A228 L245M161-A192 HydrophobicContact SD-CB 4.21Å; A192-E225 VanDerWaalsContact O-CA 3.31Å; A192-E225 WeakPolarHBondContact O-CA 3.41Å; A192-E225 WeakPolarHBondContact O-CG 3.21Å; A192-A228 VanDerWaalsContact C-CB 3.46Å; A192-A228 HydrophobicContact CB-CB 4.12Å; A192-L245 HydrophobicContact CB-CD2 4.13Å
193E98.6Very high98.1Very high1 Ų127.6 Ų27.61%0.00515%0.146CC..SBendtrans-132.8149.4163.8-70.2172.9107.300108.4M161 H191 G195 V198 E225 A228 V297 P298M161-E193 CarbonylContact C-O 3.5Å; M161-E193 VanDerWaalsContact CB-O 3.25Å; M161-E193 WeakPolarHBondContact CB-O 3.39Å; H191-E193 IonicContact CD2-OE2 3.69Å; H191-E193 IonicContact CE1-OE2 3.45Å; H191-E193 IonicContact NE2-OE2 3.62Å; H191-E193 PolarHBondContact NE2-OE2 3.46Å; E193-G195 PolarHBondContact O-N 2.93Å; E193-V198 HydrophobicContact CB-CG2 4.38Å; E193-E225 HydrophobicContact CG-CB 4.33Å; E193-A228 VanDerWaalsContact C-CB 3.46Å; E193-V297 WeakPolarHBondContact OE2-CG1 3.24Å; E193-P298 HydrophobicContact CG-CB 4.17Å; E193-P298 HydrophobicContact CG-CG 3.96Å
194N98.6Very high98.2Very high21 Ų2129.4 Ų29.411%0.11215%0.152CC..  trans-7495.8176.8-170.2-46.6000111.2E196 L197 V198 L224 E227 R231N194-E196 VanDerWaalsContact C-N 3.28Å; N194-E196 PolarHBondContact O-N 2.94Å; N194-E196 PolarHBondContact OD1-N 3.5Å; N194-L197 HydrophobicContact CB-CB 4.32Å; N194-L197 HydrophobicContact CB-CD1 4.41Å; N194-L197 PolarHBondContact O-N 2.88Å; N194-L197 PolarHBondContact OD1-N 3.03Å; N194-L197 VanDerWaalsContact OD1-N 3.17Å; N194-V198 WeakPolarHBondContact O-CB 3.29Å; N194-V198 WeakPolarHBondContact O-CG2 3.07Å; N194-V198 PolarHBondContact O-N 2.98Å; N194-L224 HydrophobicContact CB-CB 4.32Å; N194-L224 PolarHBondContact N-O 2.92Å; N194-L224 VanDerWaalsContact N-O 3.12Å; N194-E227 PolarHBondContact ND2-OE2 3Å; N194-R231 PolarHBondContact ND2-NH2 3.33Å
195G98Very high98.3Very high1 Ų128.8 Ų28.81%0.0115%0.149CC..Hα-helixtrans-61-27.4-175.200000116.2M161 E193 A199M161-G195 WeakPolarHBondContact O-CA 3.33Å; M161-G195 PolarHBondContact O-N 3.2Å; E193-G195 PolarHBondContact O-N 2.93Å; G195-A199 PolarHBondContact O-N 3.38Å
196E98.3Very high98.3Very high85 Ų8531.3 Ų31.340%0.39716%0.162SC..Hα-helixtrans-70.5-50.4176-66.9-63.6161.900110.5K164 M168 N194 V198 A199 E200K164-E196 WeakPolarHBondContact CD-OE2 3.44Å; K164-E196 WeakPolarHBondContact CE-OE2 3.4Å; K164-E196 IonicContact NZ-OE2 3.19Å; K164-E196 PolarHBondContact NZ-OE2 3.02Å; M168-E196 HydrophobicContact CE-CG 3.9Å; N194-E196 VanDerWaalsContact C-N 3.28Å; N194-E196 PolarHBondContact O-N 2.94Å; N194-E196 PolarHBondContact OD1-N 3.5Å; E196-V198 VanDerWaalsContact C-N 3.33Å; E196-V198 PolarHBondContact O-N 2.51Å; E196-A199 WeakPolarHBondContact O-CB 3.4Å; E196-A199 PolarHBondContact O-N 2.91Å; E196-A199 VanDerWaalsContact O-N 3.16Å; E196-E200 PolarHBondContact O-N 3.21Å
197L98.4Very high98.4Very high89 Ų8937.1 Ų37.147%0.46619%0.193SC..Hα-helixtrans-69.8-32180-65179.6000112.2N194 A199 E200 G201 L224N194-L197 HydrophobicContact CB-CB 4.32Å; N194-L197 HydrophobicContact CB-CD1 4.41Å; N194-L197 PolarHBondContact O-N 2.88Å; N194-L197 PolarHBondContact OD1-N 3.03Å; N194-L197 VanDerWaalsContact OD1-N 3.17Å; L197-A199 VanDerWaalsContact C-N 3.29Å; L197-A199 PolarHBondContact O-N 2.88Å; L197-E200 PolarHBondContact O-N 2.89Å; L197-G201 PolarHBondContact O-N 3.3Å; L197-L224 HydrophobicContact CB-CD1 3.82Å; L197-L224 HydrophobicContact CB-CD2 3.77Å; L197-L224 HydrophobicContact CB-CG 4.46Å; L197-L224 HydrophobicContact CD1-CD2 3.59Å; L197-L224 HydrophobicContact CG-CD2 4.34Å
198V98.2Very high98.4Very high7 Ų743.6 Ų43.64%0.04223%0.227CC..Hα-helixtrans-59.4-40.3170.7161.60000111.5E193 N194 E196 A202 R220 L224E193-V198 HydrophobicContact CB-CG2 4.38Å; N194-V198 WeakPolarHBondContact O-CB 3.29Å; N194-V198 WeakPolarHBondContact O-CG2 3.07Å; N194-V198 PolarHBondContact O-N 2.98Å; E196-V198 VanDerWaalsContact C-N 3.33Å; E196-V198 PolarHBondContact O-N 2.51Å; V198-A202 WeakPolarHBondContact O-CB 3.32Å; V198-A202 PolarHBondContact O-N 3.17Å; V198-R220 HydrophobicContact CB-CG 4.37Å; V198-R220 HydrophobicContact CG1-CG 3.94Å; V198-R220 HydrophobicContact CG2-CB 4.25Å; V198-R220 HydrophobicContact CG2-CG 3.85Å; V198-L224 HydrophobicContact CG2-CD1 3.9Å
199A97.9Very high98.4Very high34 Ų3446.1 Ų46.128%0.28125%0.253SS..Hα-helixtrans-68.8-43179.600000111.8K164 G195 E196 L197 A202 K203K164-A199 HydrophobicContact CD-CB 3.93Å; G195-A199 PolarHBondContact O-N 3.38Å; E196-A199 WeakPolarHBondContact O-CB 3.4Å; E196-A199 PolarHBondContact O-N 2.91Å; E196-A199 VanDerWaalsContact O-N 3.16Å; L197-A199 VanDerWaalsContact C-N 3.29Å; L197-A199 PolarHBondContact O-N 2.88Å; A199-A202 PolarHBondContact O-N 3.21Å; A199-K203 PolarHBondContact O-N 3.34Å
200E98.3Very high98.4Very high86 Ų8648 Ų4840%0.40226%0.263SS..Hα-helixtrans-66-44.6175-64-56.2142.300111.5E196 L197 A202 K203 E204E196-E200 PolarHBondContact O-N 3.21Å; L197-E200 PolarHBondContact O-N 2.89Å; E200-A202 VanDerWaalsContact C-N 3.29Å; E200-A202 PolarHBondContact O-N 2.73Å; E200-K203 WeakPolarHBondContact O-CB 3.35Å; E200-K203 PolarHBondContact O-N 2.94Å; E200-K203 VanDerWaalsContact O-N 3.12Å; E200-E204 WeakPolarHBondContact O-CG 3.28Å; E200-E204 PolarHBondContact O-N 3.35Å
201G98.4Very high98.3Very high13 Ų1350.6 Ų50.613%0.13428%0.279CS..Hα-helixtrans-62-35.1177.700000113.2L197 A205 S219L197-G201 PolarHBondContact O-N 3.3Å; G201-A205 WeakPolarHBondContact O-CB 3.43Å; G201-A205 PolarHBondContact O-N 3.18Å; G201-S219 VanDerWaalsContact C-CB 3.46Å
202A98.3Very high98.3Very high11 Ų1150.9 Ų50.99%0.09128%0.283CS..Hα-helixtrans-66.7-41.9174.600000111.9V198 A199 E200 L206 F341 T342V198-A202 WeakPolarHBondContact O-CB 3.32Å; V198-A202 PolarHBondContact O-N 3.17Å; A199-A202 PolarHBondContact O-N 3.21Å; E200-A202 VanDerWaalsContact C-N 3.29Å; E200-A202 PolarHBondContact O-N 2.73Å; A202-L206 WeakPolarHBondContact O-CG 3.42Å; A202-L206 PolarHBondContact O-N 2.95Å; A202-L206 VanDerWaalsContact O-N 3.15Å; A202-F341 HydrophobicContact CB-CZ 4.27Å; A202-T342 HydrophobicContact CB-CG2 4.04Å
203K98.4Very high98.3Very high115 Ų11550.7 Ų50.750%0.528%0.282SS..Hα-helixtrans-63.7-47.2175178.7-173.4169.4-1630111.4A199 E200 A205 L206 D207A199-K203 PolarHBondContact O-N 3.34Å; E200-K203 WeakPolarHBondContact O-CB 3.35Å; E200-K203 PolarHBondContact O-N 2.94Å; E200-K203 VanDerWaalsContact O-N 3.12Å; K203-A205 VanDerWaalsContact C-N 3.35Å; K203-A205 PolarHBondContact O-N 3.03Å; K203-L206 PolarHBondContact O-N 2.87Å; K203-D207 WeakPolarHBondContact O-CB 3.48Å; K203-D207 PolarHBondContact O-N 3.29Å
204E98.3Very high98.3Very high122 Ų12253 Ų5357%0.5729%0.292SS*.Hα-helixtrans-58.3-44.9177.9-73.2177.3-17700112E200 L206 D207 L208E200-E204 WeakPolarHBondContact O-CG 3.28Å; E200-E204 PolarHBondContact O-N 3.35Å; E204-L206 PolarHBondContact O-N 3.25Å; E204-D207 PolarHBondContact O-N 3.06Å; E204-L208 WeakPolarHBondContact O-CG 3.33Å; E204-L208 PolarHBondContact O-N 3.2Å; E204-L208 VanDerWaalsContact O-N 3.07Å
205A98.3Very high98.3Very high2 Ų252 Ų522%0.01729%0.287CS..Hα-helixtrans-60.6-45.1176.900000112G201 K203 L208 G209 I210 I218 F341G201-A205 WeakPolarHBondContact O-CB 3.43Å; G201-A205 PolarHBondContact O-N 3.18Å; K203-A205 VanDerWaalsContact C-N 3.35Å; K203-A205 PolarHBondContact O-N 3.03Å; A205-L208 PolarHBondContact O-N 3.26Å; A205-G209 PolarHBondContact O-N 2.82Å; A205-I210 HydrophobicContact CB-CB 4.4Å; A205-I210 VanDerWaalsContact O-CB 3.31Å; A205-I210 WeakPolarHBondContact O-CB 3.37Å; A205-I210 PolarHBondContact O-N 3.35Å; A205-I218 HydrophobicContact CB-CG2 4.38Å; A205-F341 HydrophobicContact CB-CE1 3.98Å; A205-F341 HydrophobicContact CB-CZ 4.04Å
206L98.5Very high98.3Very high53 Ų5351.9 Ų51.928%0.27729%0.286SS..Hα-helixtrans-66.2-40177.5-70.1173.2000112.4A202 K203 E204 L208 G209 T211 F341 T342A202-L206 WeakPolarHBondContact O-CG 3.42Å; A202-L206 PolarHBondContact O-N 2.95Å; A202-L206 VanDerWaalsContact O-N 3.15Å; K203-L206 PolarHBondContact O-N 2.87Å; E204-L206 PolarHBondContact O-N 3.25Å; L206-L208 PolarHBondContact O-N 3.17Å; L206-G209 WeakPolarHBondContact O-CA 3.47Å; L206-G209 PolarHBondContact O-N 2.64Å; L206-T211 HydrophobicContact CD2-CG2 4.14Å; L206-F341 HydrophobicContact CD2-CD1 4.09Å; L206-F341 HydrophobicContact CD2-CE1 3.88Å; L206-F341 HydrophobicContact CG-CE1 3.99Å; L206-T342 HydrophobicContact CD1-CG2 3.9Å
207D98.3Very high98.3Very high123 Ų12349.2 Ų49.266%0.65827%0.274SS*.Hα-helixtrans-63.6-28176.6-75-16.5000111.7K203 E204 G209K203-D207 WeakPolarHBondContact O-CB 3.48Å; K203-D207 PolarHBondContact O-N 3.29Å; E204-D207 PolarHBondContact O-N 3.06Å; D207-G209 VanDerWaalsContact C-N 3.27Å; D207-G209 PolarHBondContact O-N 3.29Å
208L98.1Very high98.3Very high140 Ų14048.1 Ų48.173%0.73327%0.268SS*.THydrogen-bonded Turntrans-80.6-0.9171.7-68.1172.8000113.9E204 A205 L206 I210E204-L208 WeakPolarHBondContact O-CG 3.33Å; E204-L208 PolarHBondContact O-N 3.2Å; E204-L208 VanDerWaalsContact O-N 3.07Å; A205-L208 PolarHBondContact O-N 3.26Å; L206-L208 PolarHBondContact O-N 3.17Å; L208-I210 HydrophobicContact CB-CD1 4.32Å; L208-I210 HydrophobicContact CB-CG1 4.26Å
209G98.1Very high98.3Very high53 Ų5347.9 Ų47.955%0.54627%0.266SS..THydrogen-bonded Turntrans79.813.3-177.900000114.5A205 L206 D207 T211A205-G209 PolarHBondContact O-N 2.82Å; L206-G209 WeakPolarHBondContact O-CA 3.47Å; L206-G209 PolarHBondContact O-N 2.64Å; D207-G209 VanDerWaalsContact C-N 3.27Å; D207-G209 PolarHBondContact O-N 3.29Å; G209-T211 PolarHBondContact O-N 3.26Å
210I98.5Very high98.3Very high41 Ų4147.1 Ų47.121%0.2126%0.256CS..  trans-85.394.7177-53.7174.6000108.2A205 L208 E214 I218 F341A205-I210 HydrophobicContact CB-CB 4.4Å; A205-I210 VanDerWaalsContact O-CB 3.31Å; A205-I210 WeakPolarHBondContact O-CB 3.37Å; A205-I210 PolarHBondContact O-N 3.35Å; L208-I210 HydrophobicContact CB-CD1 4.32Å; L208-I210 HydrophobicContact CB-CG1 4.26Å; I210-E214 HydrophobicContact CG2-CG 3.91Å; I210-I218 HydrophobicContact CD1-CD1 4.02Å; I210-I218 HydrophobicContact CG2-CD1 4.11Å; I210-F341 WeakPolarHBondContact O-CD1 3.47Å; I210-F341 WeakPolarHBondContact O-CE1 3.25Å
211T98.4Very high98.2Very high55 Ų5545.2 Ų45.234%0.33725%0.251SS..  trans-107.1-11.5-176.857.70000113.7L206 G209 E339 F341L206-T211 HydrophobicContact CD2-CG2 4.14Å; G209-T211 PolarHBondContact O-N 3.26Å; T211-E339 VanDerWaalsContact CB-O 3.27Å; T211-E339 WeakPolarHBondContact CB-O 3.38Å; T211-E339 WeakPolarHBondContact CG2-O 3.33Å; T211-F341 PolarHBondContact O-N 3.24Å
212G98.6Very high98.2Very high10 Ų1046.8 Ų46.810%0.10326%0.255CS..SBendtrans-78.2169.7-179.600000113.6E214 G215 F341G212-E214 VanDerWaalsContact C-CD 3.5Å; G212-E214 WeakPolarHBondContact CA-OE1 3.47Å; G212-E214 VanDerWaalsContact CA-OE2 3.24Å; G212-E214 WeakPolarHBondContact CA-OE2 3.39Å; G212-E214 PolarHBondContact N-OE1 3.07Å; G212-E214 PolarHBondContact O-N 2.99Å; G212-E214 VanDerWaalsContact O-N 3.09Å; G212-G215 PolarHBondContact O-N 3.27Å; G212-F341 VanDerWaalsContact O-CB 3.24Å; G212-F341 WeakPolarHBondContact O-CB 3.24Å
213P98.7Very high98.2Very high3 Ų352 Ų522%0.01928%0.278CS..THydrogen-bonded Turntrans-55.5-27.3-176.2-27.238.2000114.8G215 I216 A291 A292 V295 I344P213-G215 PolarHBondContact O-N 2.99Å; P213-G215 VanDerWaalsContact O-N 3.15Å; P213-I216 WeakPolarHBondContact O-CB 3.29Å; P213-I216 WeakPolarHBondContact O-CG2 3.33Å; P213-I216 PolarHBondContact O-N 3.42Å; P213-A291 HydrophobicContact CB-CB 3.91Å; P213-A291 HydrophobicContact CG-CB 3.78Å; P213-A292 HydrophobicContact CG-CB 3.98Å; P213-V295 HydrophobicContact CB-CG2 3.9Å; P213-I344 HydrophobicContact CB-CD1 4.33Å; P213-I344 HydrophobicContact CG-CD1 4.03Å
214E98.5Very high98.2Very high48 Ų4847.7 Ų47.722%0.22426%0.26CS..THydrogen-bonded Turntrans-54.4-27.3172.470-73.1174.400113.6I210 G212 I216 E217 I218 Y284I210-E214 HydrophobicContact CG2-CG 3.91Å; G212-E214 VanDerWaalsContact C-CD 3.5Å; G212-E214 WeakPolarHBondContact CA-OE1 3.47Å; G212-E214 VanDerWaalsContact CA-OE2 3.24Å; G212-E214 WeakPolarHBondContact CA-OE2 3.39Å; G212-E214 PolarHBondContact N-OE1 3.07Å; G212-E214 PolarHBondContact O-N 2.99Å; G212-E214 VanDerWaalsContact O-N 3.09Å; E214-I216 PolarHBondContact O-N 3.16Å; E214-I216 VanDerWaalsContact O-N 3.15Å; E214-E217 PolarHBondContact O-N 2.74Å; E214-I218 HydrophobicContact CG-CD1 4.25Å; E214-I218 WeakPolarHBondContact O-CG1 3.17Å; E214-I218 PolarHBondContact O-N 3.49Å; E214-Y284 HydrophobicContact CB-CD1 4.14Å; E214-Y284 HydrophobicContact CB-CD2 4.34Å; E214-Y284 HydrophobicContact CB-CE1 3.82Å; E214-Y284 HydrophobicContact CB-CE2 4Å; E214-Y284 HydrophobicContact CB-CG 4.4Å; E214-Y284 HydrophobicContact CG-CE1 4.25Å
215G98.5Very high98.3Very high0 Ų042 Ų420%023%0.233CC..Hα-helixtrans-58.1-25.6173.800000113.7G212 P213 E217 S219 F341G212-G215 PolarHBondContact O-N 3.27Å; P213-G215 PolarHBondContact O-N 2.99Å; P213-G215 VanDerWaalsContact O-N 3.15Å; G215-E217 VanDerWaalsContact C-N 3.31Å; G215-E217 PolarHBondContact O-N 3.32Å; G215-S219 VanDerWaalsContact O-CB 3.23Å; G215-S219 WeakPolarHBondContact O-CB 3.47Å; G215-S219 PolarHBondContact O-N 3.4Å; G215-S219 PolarHBondContact O-OG 3.27Å; G215-F341 VanDerWaalsContact O-CE2 3.27Å; G215-F341 WeakPolarHBondContact O-CE2 3.21Å; G215-F341 WeakPolarHBondContact O-CZ 3.29Å
216I97.9Very high98.3Very high0 Ų042.6 Ų42.60%024%0.238CC..Hα-helixtrans-66.4-34.2178.9-159.964.2000112.6P213 E214 S219 Y283 V295 V297 P299 F341P213-I216 WeakPolarHBondContact O-CB 3.29Å; P213-I216 WeakPolarHBondContact O-CG2 3.33Å; P213-I216 PolarHBondContact O-N 3.42Å; E214-I216 PolarHBondContact O-N 3.16Å; E214-I216 VanDerWaalsContact O-N 3.15Å; I216-S219 PolarHBondContact O-OG 3.35Å; I216-Y283 HydrophobicContact CG2-CD1 4.17Å; I216-Y283 HydrophobicContact CG2-CD2 4.11Å; I216-Y283 HydrophobicContact CG2-CE1 3.87Å; I216-Y283 HydrophobicContact CG2-CE2 3.76Å; I216-Y283 HydrophobicContact CG2-CG 4.28Å; I216-V295 HydrophobicContact CD1-CG1 4.5Å; I216-V295 HydrophobicContact CG1-CG1 4.2Å; I216-V295 HydrophobicContact CG2-CG2 4.48Å; I216-V297 HydrophobicContact CD1-CG2 4.04Å; I216-V297 HydrophobicContact CG1-CG2 4.34Å; I216-P299 HydrophobicContact CG2-CB 4.23Å; I216-F341 HydrophobicContact CB-CD2 4.38Å; I216-F341 HydrophobicContact CD1-CD2 4.36Å
217E97.3Very high98.3Very high29 Ų2943.4 Ų43.414%0.13624%0.24CC..Hα-helixtrans-82.4-45.1179.7-163.6-80162.900110E214 G215 S219 R220 Y283 P299 L302E214-E217 PolarHBondContact O-N 2.74Å; G215-E217 VanDerWaalsContact C-N 3.31Å; G215-E217 PolarHBondContact O-N 3.32Å; E217-S219 VanDerWaalsContact C-N 3.34Å; E217-S219 PolarHBondContact O-N 3.35Å; E217-R220 CarbonylContact O-C 3.14Å; E217-R220 VanDerWaalsContact O-C 3.31Å; E217-R220 PolarHBondContact O-N 3.2Å; E217-R220 VanDerWaalsContact O-N 3.09Å; E217-Y283 HydrophobicContact CB-CD2 3.91Å; E217-Y283 HydrophobicContact CB-CE2 4.09Å; E217-Y283 HydrophobicContact CG-CD2 4.44Å; E217-Y283 HydrophobicContact CG-CE2 4.48Å; E217-P299 HydrophobicContact CB-CB 4.41Å; E217-L302 HydrophobicContact CG-CD1 4.37Å; E217-L302 HydrophobicContact CG-CG 4.06Å; E217-L302 VanDerWaalsContact OE2-CD1 3.29Å; E217-L302 WeakPolarHBondContact OE2-CD1 3.43Å
218I98Very high98.3Very high66 Ų6637.6 Ų37.634%0.33821%0.209SC..Hα-helixtrans-58.9-43.2178.5-66.3168.1000111.7A205 I210 E214 R220A205-I218 HydrophobicContact CB-CG2 4.38Å; I210-I218 HydrophobicContact CD1-CD1 4.02Å; I210-I218 HydrophobicContact CG2-CD1 4.11Å; E214-I218 HydrophobicContact CG-CD1 4.25Å; E214-I218 WeakPolarHBondContact O-CG1 3.17Å; E214-I218 PolarHBondContact O-N 3.49Å; I218-R220 PolarHBondContact O-N 3.06Å
219S98.2Very high98.4Very high1 Ų131 Ų311%0.00717%0.174CC..THydrogen-bonded Turntrans-73.3-12.3-178.858.30000114.1G201 G215 I216 E217 F341G201-S219 VanDerWaalsContact C-CB 3.46Å; G215-S219 VanDerWaalsContact O-CB 3.23Å; G215-S219 WeakPolarHBondContact O-CB 3.47Å; G215-S219 PolarHBondContact O-N 3.4Å; G215-S219 PolarHBondContact O-OG 3.27Å; I216-S219 PolarHBondContact O-OG 3.35Å; E217-S219 VanDerWaalsContact C-N 3.34Å; E217-S219 PolarHBondContact O-N 3.35Å; S219-F341 WeakPolarHBondContact OG-CE2 3.12Å
220R97.9Very high98.4Very high18 Ų1833.2 Ų33.27%0.06817%0.171CC..SBendtrans-14257.9-170.9-45.1-171.1179.7170-1111.9V198 E217 I218 P299 R301V198-R220 HydrophobicContact CB-CG 4.37Å; V198-R220 HydrophobicContact CG1-CG 3.94Å; V198-R220 HydrophobicContact CG2-CB 4.25Å; V198-R220 HydrophobicContact CG2-CG 3.85Å; E217-R220 CarbonylContact O-C 3.14Å; E217-R220 VanDerWaalsContact O-C 3.31Å; E217-R220 PolarHBondContact O-N 3.2Å; E217-R220 VanDerWaalsContact O-N 3.09Å; I218-R220 PolarHBondContact O-N 3.06Å; R220-P299 HydrophobicContact CB-CG 4.26Å; R220-R301 PolarHBondContact O-NH1 3.25Å
221P97.7Very high98.4Very high47 Ų4733.1 Ų33.131%0.30517%0.168SC..  trans-62.9159.4-177.533.5-39.6000110.8E223 L224P221-E223 WeakPolarHBondContact CB-OE2 3.47Å; P221-E223 PolarHBondContact O-N 2.86Å; P221-E223 VanDerWaalsContact O-N 3.09Å; P221-L224 HydrophobicContact CG-CG 4.19Å; P221-L224 WeakPolarHBondContact O-CB 3.36Å; P221-L224 PolarHBondContact O-N 3.35Å
222E98.1Very high98.4Very high46 Ų4630.5 Ų30.522%0.21515%0.151CC..Hα-helixtrans-62.9-22.8-166.765.2170.9101.700114.7L224 E225 A226 S250 S252E222-L224 PolarHBondContact O-N 3.34Å; E222-E225 WeakPolarHBondContact O-CB 3.49Å; E222-E225 PolarHBondContact O-N 3.34Å; E222-E225 VanDerWaalsContact O-N 3.08Å; E222-A226 PolarHBondContact O-N 3.12Å; E222-S250 VanDerWaalsContact CB-CB 3.48Å; E222-S252 PolarHBondContact O-OG 2.94Å; E222-S252 WeakPolarHBondContact OE2-CB 3.21Å; E222-S252 PolarHBondContact OE2-N 3.01Å; E222-S252 VanDerWaalsContact OE2-N 3.1Å; E222-S252 PolarHBondContact OE2-OG 3.14Å
223E98.4Very high98.4Very high121 Ų12130.2 Ų30.257%0.56515%0.147SC*.Hα-helixtrans-60.7-31.4175.5-61.983.7172.800112P221 E225 A226 E227P221-E223 WeakPolarHBondContact CB-OE2 3.47Å; P221-E223 PolarHBondContact O-N 2.86Å; P221-E223 VanDerWaalsContact O-N 3.09Å; E223-E225 VanDerWaalsContact C-N 3.33Å; E223-A226 PolarHBondContact O-N 3.34Å; E223-E227 WeakPolarHBondContact O-CB 3.48Å; E223-E227 PolarHBondContact O-N 3.44Å
224L98.6Very high98.4Very high23 Ų2333.2 Ų33.212%0.1217%0.166CC..Hα-helixtrans-70.6-31.3177-57.8-165.8000112.1N194 L197 V198 P221 E222 A228N194-L224 HydrophobicContact CB-CB 4.32Å; N194-L224 PolarHBondContact N-O 2.92Å; N194-L224 VanDerWaalsContact N-O 3.12Å; L197-L224 HydrophobicContact CB-CD1 3.82Å; L197-L224 HydrophobicContact CB-CD2 3.77Å; L197-L224 HydrophobicContact CB-CG 4.46Å; L197-L224 HydrophobicContact CD1-CD2 3.59Å; L197-L224 HydrophobicContact CG-CD2 4.34Å; V198-L224 HydrophobicContact CG2-CD1 3.9Å; P221-L224 HydrophobicContact CG-CG 4.19Å; P221-L224 WeakPolarHBondContact O-CB 3.36Å; P221-L224 PolarHBondContact O-N 3.35Å; E222-L224 PolarHBondContact O-N 3.34Å; L224-A228 WeakPolarHBondContact O-CB 3.35Å; L224-A228 PolarHBondContact O-N 2.66Å
225E98.8Very high98.4Very high4 Ų431.9 Ų31.92%0.01916%0.16CC..Hα-helixtrans-72.8-44.8172.5-173.9-169.3166.800110.6A192 E193 E222 E223 A228 T229 V248 S249 S250 A253 R301A192-E225 VanDerWaalsContact O-CA 3.31Å; A192-E225 WeakPolarHBondContact O-CA 3.41Å; A192-E225 WeakPolarHBondContact O-CG 3.21Å; E193-E225 HydrophobicContact CG-CB 4.33Å; E222-E225 WeakPolarHBondContact O-CB 3.49Å; E222-E225 PolarHBondContact O-N 3.34Å; E222-E225 VanDerWaalsContact O-N 3.08Å; E223-E225 VanDerWaalsContact C-N 3.33Å; E225-A228 PolarHBondContact O-N 3.05Å; E225-T229 WeakPolarHBondContact O-CB 3.49Å; E225-T229 PolarHBondContact O-N 2.91Å; E225-T229 PolarHBondContact O-OG1 3.12Å; E225-V248 WeakPolarHBondContact OE1-CA 3.24Å; E225-S249 PolarHBondContact OE1-N 3Å; E225-S249 PolarHBondContact OE2-OG 3.38Å; E225-S250 WeakPolarHBondContact OE2-CB 3.41Å; E225-S250 PolarHBondContact OE2-N 2.89Å; E225-S250 PolarHBondContact OE2-OG 3.29Å; E225-A253 HydrophobicContact CG-CB 3.79Å; E225-A253 WeakPolarHBondContact OE1-CB 3.46Å; E225-R301 IonicContact OE2-CZ 3.95Å; E225-R301 IonicContact OE2-NE 2.73Å; E225-R301 IonicContact OE2-NH2 2.78Å; E225-R301 PolarHBondContact OE2-NH2 3.24Å
226A98.8Very high98.3Very high13 Ų1332 Ų3211%0.10716%0.161CC..Hα-helixtrans-63.7-42.8179.800000112.7E222 E223 T229 H230 V256E222-A226 PolarHBondContact O-N 3.12Å; E223-A226 PolarHBondContact O-N 3.34Å; A226-T229 PolarHBondContact O-N 3.17Å; A226-H230 WeakPolarHBondContact O-CB 3.42Å; A226-H230 PolarHBondContact O-N 3.27Å; A226-V256 HydrophobicContact CB-CG2 4.44Å
227E98.8Very high98.2Very high71 Ų7135.5 Ų35.533%0.33218%0.18SC..Hα-helixtrans-58.6-54.1175.3-176-75130.800110.8N194 E223 T229 H230 R231N194-E227 PolarHBondContact ND2-OE2 3Å; E223-E227 WeakPolarHBondContact O-CB 3.48Å; E223-E227 PolarHBondContact O-N 3.44Å; E227-T229 VanDerWaalsContact C-N 3.29Å; E227-T229 PolarHBondContact O-N 3.31Å; E227-H230 PolarHBondContact O-N 3.38Å; E227-H230 VanDerWaalsContact O-N 3.16Å; E227-R231 WeakPolarHBondContact O-CB 3.35Å; E227-R231 PolarHBondContact O-N 3Å; E227-R231 WeakPolarHBondContact OE1-CD 3.43Å; E227-R231 IonicContact OE1-CZ 2.82Å; E227-R231 IonicContact OE1-NE 2.67Å; E227-R231 PolarHBondContact OE1-NE 3.37Å; E227-R231 IonicContact OE1-NH2 2.74Å; E227-R231 IonicContact OE2-CZ 2.77Å; E227-R231 IonicContact OE2-NE 2.77Å; E227-R231 PolarHBondContact OE2-NE 2.87Å; E227-R231 IonicContact OE2-NH2 3.39Å; E227-R231 PolarHBondContact OE2-NH2 2.92Å
228A98.8Very high98Very high0 Ų042.4 Ų42.40%020%0.204CC..Hα-helixtrans-62.1-39.2-178.800000111.6M161 A192 E193 L224 E225 R231 V232M161-A228 HydrophobicContact CE-CB 3.71Å; M161-A228 WeakPolarHBondContact CE-O 3.35Å; M161-A228 HydrophobicContact SD-CB 4Å; A192-A228 VanDerWaalsContact C-CB 3.46Å; A192-A228 HydrophobicContact CB-CB 4.12Å; E193-A228 VanDerWaalsContact C-CB 3.46Å; L224-A228 WeakPolarHBondContact O-CB 3.35Å; L224-A228 PolarHBondContact O-N 2.66Å; E225-A228 PolarHBondContact O-N 3.05Å; A228-R231 PolarHBondContact O-N 3.35Å; A228-V232 WeakPolarHBondContact O-CG1 3.45Å; A228-V232 PolarHBondContact O-N 2.83Å
229T98.9Very high97.8Very high1 Ų139.3 Ų39.31%0.00619%0.189CC..Hα-helixtrans-59.3-48174.2-67.10000111.3E225 A226 E227 V232 I233 L245 V256 I257E225-T229 WeakPolarHBondContact O-CB 3.49Å; E225-T229 PolarHBondContact O-N 2.91Å; E225-T229 PolarHBondContact O-OG1 3.12Å; A226-T229 PolarHBondContact O-N 3.17Å; E227-T229 VanDerWaalsContact C-N 3.29Å; E227-T229 PolarHBondContact O-N 3.31Å; T229-V232 WeakPolarHBondContact O-CG1 3.08Å; T229-I233 HydrophobicContact CG2-CD1 3.93Å; T229-I233 WeakPolarHBondContact O-CB 3.42Å; T229-I233 WeakPolarHBondContact O-CD1 3.3Å; T229-I233 WeakPolarHBondContact O-CG1 3.2Å; T229-I233 PolarHBondContact O-N 2.96Å; T229-I233 VanDerWaalsContact O-N 3.14Å; T229-L245 HydrophobicContact CG2-CD1 3.67Å; T229-V256 HydrophobicContact CG2-CB 4.14Å; T229-V256 HydrophobicContact CG2-CG1 3.82Å; T229-I257 HydrophobicContact CG2-CD1 4.37Å; T229-I257 HydrophobicContact CG2-CG1 3.94Å
230H98.8Very high97.6Very high101 Ų10142.1 Ų42.147%0.46820%0.201SC..Hα-helixtrans-63.7-43.6177.2179.7-91.2000111.9A226 E227 I233 T234 V256A226-H230 WeakPolarHBondContact O-CB 3.42Å; A226-H230 PolarHBondContact O-N 3.27Å; E227-H230 PolarHBondContact O-N 3.38Å; E227-H230 VanDerWaalsContact O-N 3.16Å; H230-I233 PolarHBondContact O-N 3.32Å; H230-T234 WeakPolarHBondContact O-CB 3.49Å; H230-T234 PolarHBondContact O-N 2.95Å; H230-T234 PolarHBondContact O-OG1 2.83Å; H230-V256 HydrophobicContact CB-CG1 3.8Å
231R98.8Very high97.5Very high39 Ų3941.4 Ų41.415%0.14720%0.2CC..Hα-helixtrans-62.2-49.6179.8176.2157.148.896.9-0.2111.8M161 D171 N194 E227 A228 I233 T234 I235M161-R231 HydrophobicContact CE-CB 4.26Å; M161-R231 HydrophobicContact CE-CG 4.19Å; D171-R231 IonicContact OD1-CZ 3.34Å; D171-R231 IonicContact OD1-NH1 2.88Å; D171-R231 PolarHBondContact OD1-NH1 2.87Å; D171-R231 WeakPolarHBondContact OD2-CD 3.3Å; N194-R231 PolarHBondContact ND2-NH2 3.33Å; E227-R231 WeakPolarHBondContact O-CB 3.35Å; E227-R231 PolarHBondContact O-N 3Å; E227-R231 WeakPolarHBondContact OE1-CD 3.43Å; E227-R231 IonicContact OE1-CZ 2.82Å; E227-R231 IonicContact OE1-NE 2.67Å; E227-R231 PolarHBondContact OE1-NE 3.37Å; E227-R231 IonicContact OE1-NH2 2.74Å; E227-R231 IonicContact OE2-CZ 2.77Å; E227-R231 IonicContact OE2-NE 2.77Å; E227-R231 PolarHBondContact OE2-NE 2.87Å; E227-R231 IonicContact OE2-NH2 3.39Å; E227-R231 PolarHBondContact OE2-NH2 2.92Å; A228-R231 PolarHBondContact O-N 3.35Å; R231-I233 PolarHBondContact O-N 3.32Å; R231-T234 WeakPolarHBondContact O-CA 3.49Å; R231-T234 VanDerWaalsContact O-CB 3.29Å; R231-T234 WeakPolarHBondContact O-CB 3.43Å; R231-T234 PolarHBondContact O-N 2.81Å; R231-T234 VanDerWaalsContact O-N 3.08Å; R231-I235 HydrophobicContact CG-CD1 4.07Å; R231-I235 WeakPolarHBondContact O-CG1 3.46Å; R231-I235 PolarHBondContact O-N 3.27Å
232V98.7Very high97.4Very high0 Ų039.3 Ų39.30%019%0.186CC..Hα-helixtrans-66.5-36.8179.471.10000112.7M161 V190 A228 T229 T234 I235 A236 I243 L245M161-V232 HydrophobicContact CE-CB 4.37Å; M161-V232 HydrophobicContact SD-CB 3.72Å; M161-V232 HydrophobicContact SD-CG1 4.21Å; M161-V232 HydrophobicContact SD-CG2 4.37Å; V190-V232 HydrophobicContact CB-CG2 4.18Å; V190-V232 HydrophobicContact CG1-CB 4.47Å; V190-V232 HydrophobicContact CG1-CG2 4Å; V190-V232 HydrophobicContact CG2-CG2 3.9Å; A228-V232 WeakPolarHBondContact O-CG1 3.45Å; A228-V232 PolarHBondContact O-N 2.83Å; T229-V232 WeakPolarHBondContact O-CG1 3.08Å; V232-T234 PolarHBondContact O-N 2.8Å; V232-I235 PolarHBondContact O-N 3.19Å; V232-A236 VanDerWaalsContact O-CB 3.26Å; V232-A236 WeakPolarHBondContact O-CB 3.5Å; V232-A236 PolarHBondContact O-N 2.92Å; V232-I243 HydrophobicContact CG2-CD1 3.81Å; V232-I243 HydrophobicContact CG2-CG1 4.12Å; V232-L245 HydrophobicContact CG1-CD2 3.52Å
233I98.6Very high97.4Very high3 Ų337.2 Ų37.22%0.01518%0.176CC..Hα-helixtrans-59.8-38.7172.8-72.4168.6000110.5T229 H230 R231 N237 I243 L245 V256 A260 K265 V267T229-I233 HydrophobicContact CG2-CD1 3.93Å; T229-I233 WeakPolarHBondContact O-CB 3.42Å; T229-I233 WeakPolarHBondContact O-CD1 3.3Å; T229-I233 WeakPolarHBondContact O-CG1 3.2Å; T229-I233 PolarHBondContact O-N 2.96Å; T229-I233 VanDerWaalsContact O-N 3.14Å; H230-I233 PolarHBondContact O-N 3.32Å; R231-I233 PolarHBondContact O-N 3.32Å; I233-N237 VanDerWaalsContact O-CB 3.26Å; I233-N237 WeakPolarHBondContact O-CB 3.48Å; I233-N237 PolarHBondContact O-N 3.13Å; I233-I243 HydrophobicContact CG1-CG2 4.32Å; I233-L245 HydrophobicContact CD1-CD1 3.96Å; I233-L245 HydrophobicContact CG1-CD1 4.18Å; I233-V256 HydrophobicContact CD1-CG1 4.03Å; I233-A260 HydrophobicContact CD1-CB 3.91Å; I233-A260 HydrophobicContact CG2-CB 3.92Å; I233-K265 HydrophobicContact CG2-CD 3.47Å; I233-K265 VanDerWaalsContact CG2-CD 3.47Å; I233-V267 HydrophobicContact CD1-CG1 4.37Å; I233-V267 HydrophobicContact CD1-CG2 4.27Å; I233-V267 HydrophobicContact CG1-CG2 4.04Å; I233-V267 HydrophobicContact CG2-CG2 4.26Å
234T98.4Very high97.4Very high67 Ų6731.4 Ų31.441%0.41115%0.149SC..Hα-helixtrans-64.6-47.9177.2-60.80000111.4H230 R231 V232 N237 R238H230-T234 WeakPolarHBondContact O-CB 3.49Å; H230-T234 PolarHBondContact O-N 2.95Å; H230-T234 PolarHBondContact O-OG1 2.83Å; R231-T234 WeakPolarHBondContact O-CA 3.49Å; R231-T234 VanDerWaalsContact O-CB 3.29Å; R231-T234 WeakPolarHBondContact O-CB 3.43Å; R231-T234 PolarHBondContact O-N 2.81Å; R231-T234 VanDerWaalsContact O-N 3.08Å; V232-T234 PolarHBondContact O-N 2.8Å; T234-N237 PolarHBondContact O-N 3.47Å; T234-R238 PolarHBondContact O-N 3.16Å; T234-R238 VanDerWaalsContact O-N 3.08Å
235I98.3Very high97.4Very high20 Ų2030.4 Ų30.410%0.10314%0.143CC..Hα-helixtrans-63.5-46.5177.8-57.6167.8000110.4D171 Y175 L178 R231 V232 N237 R238 T239D171-I235 HydrophobicContact CB-CD1 4.08Å; Y175-I235 HydrophobicContact CD2-CG2 4.16Å; L178-I235 HydrophobicContact CD1-CB 4.24Å; L178-I235 HydrophobicContact CD1-CG2 3.76Å; R231-I235 HydrophobicContact CG-CD1 4.07Å; R231-I235 WeakPolarHBondContact O-CG1 3.46Å; R231-I235 PolarHBondContact O-N 3.27Å; V232-I235 PolarHBondContact O-N 3.19Å; I235-N237 PolarHBondContact O-N 3.15Å; I235-R238 WeakPolarHBondContact O-CB 3.5Å; I235-R238 PolarHBondContact O-N 3.14Å; I235-R238 VanDerWaalsContact O-N 3.1Å; I235-T239 PolarHBondContact O-N 3.14Å; I235-T239 PolarHBondContact O-OG1 2.85Å
236A97.5Very high97.4Very high2 Ų230.6 Ų30.62%0.01715%0.145CC..Hα-helixtrans-61.8-40.9179.400000112.7L178 V232 R238 T239 H240 C241 I243L178-A236 HydrophobicContact CD1-CB 4.09Å; V232-A236 VanDerWaalsContact O-CB 3.26Å; V232-A236 WeakPolarHBondContact O-CB 3.5Å; V232-A236 PolarHBondContact O-N 2.92Å; A236-R238 VanDerWaalsContact C-N 3.29Å; A236-R238 PolarHBondContact O-N 3.38Å; A236-T239 WeakPolarHBondContact CA-OG1 3.38Å; A236-T239 PolarHBondContact O-N 3Å; A236-T239 PolarHBondContact O-OG1 2.8Å; A236-T239 VanDerWaalsContact O-OG1 3.12Å; A236-H240 PolarHBondContact O-N 3.46Å; A236-C241 PolarHBondContact O-N 2.84Å; A236-I243 HydrophobicContact CB-CB 3.83Å; A236-I243 HydrophobicContact CB-CD1 4.22Å; A236-I243 HydrophobicContact CB-CG1 4.25Å; A236-I243 HydrophobicContact CB-CG2 4.33Å
237N94.3Very high97.3Very high74 Ų7430.4 Ų30.440%0.39614%0.142SC..Hα-helixtrans-66.2-33.7175.5-171.167.9000111.9I233 T234 I235I233-N237 VanDerWaalsContact O-CB 3.26Å; I233-N237 WeakPolarHBondContact O-CB 3.48Å; I233-N237 PolarHBondContact O-N 3.13Å; T234-N237 PolarHBondContact O-N 3.47Å; I235-N237 PolarHBondContact O-N 3.15Å
238R93.8Very high97.3Very high173 Ų17327.1 Ų27.165%0.65313%0.127SC*.Hα-helixtrans-68.7-36.8174.8-179.260.7178.6165.5-0.8112.6Y175 T234 I235 A236 H240Y175-R238 HydrophobicContact CE2-CG 3.94Å; T234-R238 PolarHBondContact O-N 3.16Å; T234-R238 VanDerWaalsContact O-N 3.08Å; I235-R238 WeakPolarHBondContact O-CB 3.5Å; I235-R238 PolarHBondContact O-N 3.14Å; I235-R238 VanDerWaalsContact O-N 3.1Å; A236-R238 VanDerWaalsContact C-N 3.29Å; A236-R238 PolarHBondContact O-N 3.38Å; R238-H240 VanDerWaalsContact C-N 3.35Å
239T94.1Very high97.3Very high1 Ų127.1 Ų27.11%0.00613%0.127CC..Hα-helixtrans-86.3-4.8178.657.80000113.5Y175 L178 K182 I235 A236 C241Y175-T239 HydrophobicContact CD2-CG2 3.46Å; Y175-T239 VanDerWaalsContact CD2-CG2 3.46Å; Y175-T239 HydrophobicContact CE2-CG2 3.47Å; Y175-T239 VanDerWaalsContact CE2-CG2 3.47Å; Y175-T239 HydrophobicContact CG-CG2 4.02Å; L178-T239 HydrophobicContact CB-CG2 4.24Å; K182-T239 WeakPolarHBondContact CD-O 3.44Å; I235-T239 PolarHBondContact O-N 3.14Å; I235-T239 PolarHBondContact O-OG1 2.85Å; A236-T239 WeakPolarHBondContact CA-OG1 3.38Å; A236-T239 PolarHBondContact O-N 3Å; A236-T239 PolarHBondContact O-OG1 2.8Å; A236-T239 VanDerWaalsContact O-OG1 3.12Å; T239-C241 PolarHBondContact O-N 2.97Å; T239-C241 WeakPolarHBondContact OG1-CB 3.48Å
240H93.5Very high97.3Very high60 Ų6027.1 Ų27.128%0.27813%0.127SC..THydrogen-bonded Turntrans55.832.1-171.6-58.1-76000113.5K182 A236 R238K182-H240 HydrophobicContact CD-CB 4.15Å; A236-H240 PolarHBondContact O-N 3.46Å; R238-H240 VanDerWaalsContact C-N 3.35Å
241C95.9Very high97.3Very high4 Ų423.9 Ų23.93%0.02711%0.113CC..  trans-93.2138.6177.3-168.50000110.2L178 K182 A236 T239L178-C241 HydrophobicContact CB-CB 3.98Å; L178-C241 HydrophobicContact CD2-CB 4.48Å; L178-C241 WeakPolarHBondContact O-CB 3.37Å; L178-C241 PolarHBondContact O-SG 2.88Å; K182-C241 HydrophobicContact CB-CB 4.38Å; A236-C241 PolarHBondContact O-N 2.84Å; T239-C241 PolarHBondContact O-N 2.97Å; T239-C241 WeakPolarHBondContact OG1-CB 3.48Å
242P95.7Very high97.3Very high2 Ų223.4 Ų23.41%0.01312%0.116CC..  trans-71.8134.5170.427.4-24.1000109V266 V471 Y472 L475P242-V266 HydrophobicContact CB-CG1 3.93Å; P242-V471 HydrophobicContact CB-CB 3.85Å; P242-V471 HydrophobicContact CB-CG2 3.88Å; P242-V471 HydrophobicContact CG-CB 4.33Å; P242-V471 HydrophobicContact CG-CG2 3.8Å; P242-Y472 HydrophobicContact CG-CD2 4.47Å; P242-Y472 HydrophobicContact CG-CE1 4.48Å; P242-Y472 HydrophobicContact CG-CE2 3.82Å; P242-L475 HydrophobicContact CB-CD1 3.6Å; P242-L475 HydrophobicContact CG-CD1 3.56Å
243I97.8Very high97.3Very high2 Ų223.4 Ų23.41%0.0112%0.116CC..EExtended strand (participates in β ladder)trans-110.3136.2179.8-159.367.6000111.1L178 A188 V190 V232 I233 A236 L245 V266 V267 L268L178-I243 HydrophobicContact CD2-CD1 3.85Å; A188-I243 HydrophobicContact CB-CD1 3.91Å; V190-I243 HydrophobicContact CB-CD1 4.4Å; V190-I243 HydrophobicContact CG2-CD1 3.51Å; V190-I243 HydrophobicContact CG2-CG1 4.39Å; V232-I243 HydrophobicContact CG2-CD1 3.81Å; V232-I243 HydrophobicContact CG2-CG1 4.12Å; I233-I243 HydrophobicContact CG1-CG2 4.32Å; A236-I243 HydrophobicContact CB-CB 3.83Å; A236-I243 HydrophobicContact CB-CD1 4.22Å; A236-I243 HydrophobicContact CB-CG1 4.25Å; A236-I243 HydrophobicContact CB-CG2 4.33Å; I243-L245 HydrophobicContact CG1-CD2 4.44Å; I243-V266 PolarHBondContact N-O 2.94Å; I243-V267 HydrophobicContact CG2-CB 4.09Å; I243-V267 HydrophobicContact CG2-CG1 3.95Å; I243-V267 HydrophobicContact CG2-CG2 3.76Å; I243-L268 PolarHBondContact O-N 2.88Å
244Y98.5Very high97.3Very high0 Ų023.3 Ų23.30%012%0.115CC..EExtended strand (participates in β ladder)trans-115.3108.6172.2-174.8-110.6000109.4I187 A188 R189 V190 V246 L268 E270 I321 L384I187-Y244 HydrophobicContact CG2-CG 4.46Å; A188-Y244 PolarHBondContact O-N 3.08Å; R189-Y244 CarbonylContact C-O 3.5Å; R189-Y244 VanDerWaalsContact CA-O 3.24Å; R189-Y244 WeakPolarHBondContact CA-O 3.41Å; R189-Y244 HydrophobicContact CB-CD1 4.19Å; R189-Y244 HydrophobicContact CG-CD1 3.73Å; R189-Y244 HydrophobicContact CG-CG 4.47Å; V190-Y244 PolarHBondContact N-O 2.76Å; Y244-V246 HydrophobicContact CD1-CG1 3.67Å; Y244-V246 HydrophobicContact CE1-CG1 3.75Å; Y244-L268 CarbonylContact C-O 3.51Å; Y244-L268 WeakPolarHBondContact CA-O 3.46Å; Y244-L268 HydrophobicContact CD2-CB 3.69Å; Y244-L268 HydrophobicContact CE2-CB 4.27Å; Y244-E270 HydrophobicContact CE1-CB 4.04Å; Y244-E270 HydrophobicContact CE2-CB 4.14Å; Y244-E270 VanDerWaalsContact OH-CB 3.24Å; Y244-E270 WeakPolarHBondContact OH-CB 3.49Å; Y244-E270 PolarHBondContact OH-OE2 3.03Å; Y244-I321 HydrophobicContact CE2-CD1 4.04Å; Y244-I321 VanDerWaalsContact OH-CD1 3.28Å; Y244-I321 WeakPolarHBondContact OH-CD1 3.15Å; Y244-L384 HydrophobicContact CD2-CD2 3.66Å; Y244-L384 HydrophobicContact CE1-CD2 4.27Å; Y244-L384 HydrophobicContact CE2-CD2 3.37Å; Y244-L384 HydrophobicContact CG-CD2 4.19Å
245L98.7Very high97.3Very high1 Ų123.6 Ų23.61%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-86.5119.7178.5-65.2165.8000108.8A192 T229 V232 I233 I243 V248 I257 V267 L268 A269 E270A192-L245 HydrophobicContact CB-CD2 4.13Å; T229-L245 HydrophobicContact CG2-CD1 3.67Å; V232-L245 HydrophobicContact CG1-CD2 3.52Å; I233-L245 HydrophobicContact CD1-CD1 3.96Å; I233-L245 HydrophobicContact CG1-CD1 4.18Å; I243-L245 HydrophobicContact CG1-CD2 4.44Å; L245-V248 HydrophobicContact CB-CG2 4.15Å; L245-I257 HydrophobicContact CB-CD1 4.47Å; L245-I257 HydrophobicContact CD1-CD1 3.74Å; L245-I257 HydrophobicContact CD1-CG1 3.55Å; L245-V267 HydrophobicContact CD1-CG1 3.88Å; L245-L268 PolarHBondContact N-O 3.21Å; L245-A269 HydrophobicContact CB-CB 4.23Å; L245-A269 CarbonylContact O-C 3.57Å; L245-A269 VanDerWaalsContact O-CA 3.27Å; L245-A269 WeakPolarHBondContact O-CA 3.41Å; L245-E270 PolarHBondContact O-N 2.78Å
246V98.6Very high97.4Very high9 Ų924.2 Ų24.26%0.05512%0.119CC..  trans-88.8164.1-179.5-62.60000110.3R189 V190 H191 Y244 V248 E270R189-V246 HydrophobicContact CB-CG1 4.04Å; V190-V246 WeakPolarHBondContact O-CG2 3.3Å; V190-V246 PolarHBondContact O-N 3.29Å; H191-V246 HydrophobicContact CB-CG2 4.17Å; Y244-V246 HydrophobicContact CD1-CG1 3.67Å; Y244-V246 HydrophobicContact CE1-CG1 3.75Å; V246-V248 PolarHBondContact O-N 2.89Å; V246-E270 CarbonylContact C-O 3.47Å
247N97.8Very high97.4Very high8 Ų824.1 Ų24.14%0.04312%0.118CC..SBendtrans39.240.1169.361.210.5000116.5H191 S249 E270 T272 V297 P298H191-N247 PolarHBondContact CE1-ND2 2.76Å; H191-N247 PolarHBondContact ND1-ND2 2.9Å; N247-S249 PolarHBondContact O-N 3.46Å; N247-E270 PolarHBondContact N-O 2.75Å; N247-E270 VanDerWaalsContact N-O 3.12Å; N247-T272 HydrophobicContact CB-CG2 3.72Å; N247-V297 PolarHBondContact ND2-O 2.83Å; N247-P298 VanDerWaalsContact CG-CD 3.43Å; N247-P298 WeakPolarHBondContact ND2-CD 3.41Å
248V98.8Very high97.6Very high2 Ų221.7 Ų21.71%0.01211%0.108CC..  trans-57.8120.7177.31780000109.1E225 L245 V246 A253 I257 A269 E270 T271 L310 L319E225-V248 WeakPolarHBondContact OE1-CA 3.24Å; L245-V248 HydrophobicContact CB-CG2 4.15Å; V246-V248 PolarHBondContact O-N 2.89Å; V248-A253 HydrophobicContact CG1-CB 4.14Å; V248-I257 HydrophobicContact CB-CD1 4.46Å; V248-I257 HydrophobicContact CG1-CD1 4.02Å; V248-I257 HydrophobicContact CG2-CD1 3.58Å; V248-A269 HydrophobicContact CG2-CB 4.17Å; V248-E270 WeakPolarHBondContact CG2-O 3.41Å; V248-E270 PolarHBondContact N-O 2.83Å; V248-T271 VanDerWaalsContact O-CB 3.28Å; V248-T271 WeakPolarHBondContact O-CB 3.46Å; V248-T271 PolarHBondContact O-OG1 2.87Å; V248-L310 HydrophobicContact CG1-CD2 4.21Å; V248-L319 HydrophobicContact CB-CD2 4.23Å; V248-L319 HydrophobicContact CG1-CD2 4.21Å; V248-L319 HydrophobicContact CG2-CD2 4.25Å
249S98.7Very high97.8Very high1 Ų115.5 Ų15.51%0.0079%0.094CC..  trans-116.9-16.7-166.486.30000114.6E225 N247 H275 P298 P299 R301 T306E225-S249 PolarHBondContact OE1-N 3Å; E225-S249 PolarHBondContact OE2-OG 3.38Å; N247-S249 PolarHBondContact O-N 3.46Å; S249-H275 WeakPolarHBondContact CB-CD2 3.31Å; S249-H275 WeakPolarHBondContact CB-NE2 3.4Å; S249-P298 WeakPolarHBondContact OG-CB 3.44Å; S249-P299 PolarHBondContact OG-O 2.7Å; S249-R301 VanDerWaalsContact O-CG 3.26Å; S249-R301 WeakPolarHBondContact O-CG 3.34Å; S249-R301 PolarHBondContact OG-NE 3.25Å; S249-R301 PolarHBondContact OG-NH2 3.2Å; S249-R301 VanDerWaalsContact OG-NH2 3.12Å; S249-T306 WeakPolarHBondContact O-CG2 3.28Å
250S98.6Very high98Very high0 Ų015.7 Ų15.70%010%0.095CC..  trans-123.7161.5-170.878.30000114.8E222 E225 S252 A253 G254E222-S250 VanDerWaalsContact CB-CB 3.48Å; E225-S250 WeakPolarHBondContact OE2-CB 3.41Å; E225-S250 PolarHBondContact OE2-N 2.89Å; E225-S250 PolarHBondContact OE2-OG 3.29Å; S250-S252 PolarHBondContact OG-OG 3.07Å; S250-S252 VanDerWaalsContact OG-OG 3.09Å; S250-A253 VanDerWaalsContact OG-CB 3.29Å; S250-A253 WeakPolarHBondContact OG-CB 3.43Å; S250-A253 PolarHBondContact OG-N 3.16Å; S250-G254 PolarHBondContact O-N 2.91Å; S250-G254 VanDerWaalsContact O-N 3.17Å
251I98.7Very high98.2Very high34 Ų3415.2 Ų15.217%0.1749%0.093CC..Hα-helixtrans-64.3-49.4173.9-65178.6000109.3A253 G254 D255 T306 Y309I251-A253 PolarHBondContact O-N 3.05Å; I251-G254 CarbonylContact O-C 3.21Å; I251-G254 WeakPolarHBondContact O-CA 3.48Å; I251-G254 PolarHBondContact O-N 3.44Å; I251-G254 VanDerWaalsContact O-N 3.08Å; I251-D255 PolarHBondContact O-N 2.89Å; I251-T306 HydrophobicContact CG1-CG2 4.25Å; I251-Y309 HydrophobicContact CB-CD1 4.03Å; I251-Y309 HydrophobicContact CB-CE1 4.26Å; I251-Y309 HydrophobicContact CD1-CG 4.45Å; I251-Y309 HydrophobicContact CG1-CD1 3.75Å; I251-Y309 HydrophobicContact CG1-CE1 4.46Å; I251-Y309 HydrophobicContact CG1-CG 3.98Å; I251-Y309 HydrophobicContact CG2-CD1 3.89Å; I251-Y309 HydrophobicContact CG2-CE1 3.72Å; I251-Y309 HydrophobicContact CG2-CG 4.39Å
252S98.6Very high98.2Very high29 Ų2923 Ų2320%0.20313%0.131CC..Hα-helixtrans-60.2-41.2-178.153.50000113.5E222 S250 D255 V256E222-S252 PolarHBondContact O-OG 2.94Å; E222-S252 WeakPolarHBondContact OE2-CB 3.21Å; E222-S252 PolarHBondContact OE2-N 3.01Å; E222-S252 VanDerWaalsContact OE2-N 3.1Å; E222-S252 PolarHBondContact OE2-OG 3.14Å; S250-S252 PolarHBondContact OG-OG 3.07Å; S250-S252 VanDerWaalsContact OG-OG 3.09Å; S252-D255 PolarHBondContact O-N 3.09Å; S252-V256 WeakPolarHBondContact O-CG2 3.25Å; S252-V256 PolarHBondContact O-N 2.84Å; S252-V256 VanDerWaalsContact O-N 3.13Å
253A98.8Very high98.2Very high0 Ų029.1 Ų29.10%016%0.159CC..Hα-helixtrans-66.6-39.8174.100000111.5E225 V248 S250 I251 D255 V256 I257E225-A253 HydrophobicContact CG-CB 3.79Å; E225-A253 WeakPolarHBondContact OE1-CB 3.46Å; V248-A253 HydrophobicContact CG1-CB 4.14Å; S250-A253 VanDerWaalsContact OG-CB 3.29Å; S250-A253 WeakPolarHBondContact OG-CB 3.43Å; S250-A253 PolarHBondContact OG-N 3.16Å; I251-A253 PolarHBondContact O-N 3.05Å; A253-D255 VanDerWaalsContact C-N 3.34Å; A253-D255 PolarHBondContact O-N 3.37Å; A253-V256 PolarHBondContact O-N 3.35Å; A253-I257 WeakPolarHBondContact O-CD1 3.5Å; A253-I257 VanDerWaalsContact O-CG1 3.29Å; A253-I257 WeakPolarHBondContact O-CG1 3.36Å; A253-I257 PolarHBondContact O-N 3.03Å
254G98.7Very high98Very high0 Ų030.5 Ų30.50%017%0.174CC..Hα-helixtrans-56.4-43.6171.900000113.3S250 I251 I257 A258S250-G254 PolarHBondContact O-N 2.91Å; S250-G254 VanDerWaalsContact O-N 3.17Å; I251-G254 CarbonylContact O-C 3.21Å; I251-G254 WeakPolarHBondContact O-CA 3.48Å; I251-G254 PolarHBondContact O-N 3.44Å; I251-G254 VanDerWaalsContact O-N 3.08Å; G254-I257 WeakPolarHBondContact O-CB 3.19Å; G254-I257 PolarHBondContact O-N 3.42Å; G254-A258 PolarHBondContact O-N 2.93Å
255D98.6Very high97.8Very high74 Ų7432.4 Ų32.440%0.39618%0.182SC..Hα-helixtrans-65.6-41.7178.5-73.8-10.2000112.4I251 S252 A253 I257 A258 A259 Y309I251-D255 PolarHBondContact O-N 2.89Å; S252-D255 PolarHBondContact O-N 3.09Å; A253-D255 VanDerWaalsContact C-N 3.34Å; A253-D255 PolarHBondContact O-N 3.37Å; D255-I257 VanDerWaalsContact C-N 3.28Å; D255-I257 PolarHBondContact O-N 2.84Å; D255-A258 PolarHBondContact O-N 3.22Å; D255-A259 WeakPolarHBondContact O-CB 3.39Å; D255-A259 PolarHBondContact O-N 3.17Å; D255-Y309 PolarHBondContact OD1-OH 2.78Å
256V98.8Very high97.6Very high33 Ų3333.3 Ų33.320%0.219%0.188CC..Hα-helixtrans-60-42.2174.5174.10000110.6A226 T229 H230 I233 S252 A253 A260A226-V256 HydrophobicContact CB-CG2 4.44Å; T229-V256 HydrophobicContact CG2-CB 4.14Å; T229-V256 HydrophobicContact CG2-CG1 3.82Å; H230-V256 HydrophobicContact CB-CG1 3.8Å; I233-V256 HydrophobicContact CD1-CG1 4.03Å; S252-V256 WeakPolarHBondContact O-CG2 3.25Å; S252-V256 PolarHBondContact O-N 2.84Å; S252-V256 VanDerWaalsContact O-N 3.13Å; A253-V256 PolarHBondContact O-N 3.35Å; V256-A260 VanDerWaalsContact O-CB 3.32Å; V256-A260 WeakPolarHBondContact O-CB 3.27Å; V256-A260 PolarHBondContact O-N 2.96Å
257I98.8Very high97.6Very high0 Ų033.3 Ų33.30%019%0.188CC..Hα-helixtrans-65.6-45.6177.2-67.2162.8000111T229 L245 V248 A253 G254 D255 A259 A260 K261 V267 A269 T318 L319T229-I257 HydrophobicContact CG2-CD1 4.37Å; T229-I257 HydrophobicContact CG2-CG1 3.94Å; L245-I257 HydrophobicContact CB-CD1 4.47Å; L245-I257 HydrophobicContact CD1-CD1 3.74Å; L245-I257 HydrophobicContact CD1-CG1 3.55Å; V248-I257 HydrophobicContact CB-CD1 4.46Å; V248-I257 HydrophobicContact CG1-CD1 4.02Å; V248-I257 HydrophobicContact CG2-CD1 3.58Å; A253-I257 WeakPolarHBondContact O-CD1 3.5Å; A253-I257 VanDerWaalsContact O-CG1 3.29Å; A253-I257 WeakPolarHBondContact O-CG1 3.36Å; A253-I257 PolarHBondContact O-N 3.03Å; G254-I257 WeakPolarHBondContact O-CB 3.19Å; G254-I257 PolarHBondContact O-N 3.42Å; D255-I257 VanDerWaalsContact C-N 3.28Å; D255-I257 PolarHBondContact O-N 2.84Å; I257-A259 PolarHBondContact O-N 3.41Å; I257-A260 PolarHBondContact O-N 2.88Å; I257-K261 HydrophobicContact CG2-CD 4.33Å; I257-K261 PolarHBondContact O-N 2.98Å; I257-V267 HydrophobicContact CG2-CG1 4.17Å; I257-A269 HydrophobicContact CD1-CB 3.83Å; I257-A269 HydrophobicContact CG2-CB 4.17Å; I257-T318 HydrophobicContact CG2-CG2 4.09Å; I257-L319 HydrophobicContact CD1-CD2 4.2Å
258A98.6Very high97.5Very high23 Ų2334.2 Ų34.219%0.1919%0.192CC..Hα-helixtrans-57.7-50.4177.400000111G254 D255 A260 K261 M262 T318G254-A258 PolarHBondContact O-N 2.93Å; D255-A258 PolarHBondContact O-N 3.22Å; A258-A260 VanDerWaalsContact C-N 3.34Å; A258-A260 PolarHBondContact O-N 2.98Å; A258-K261 PolarHBondContact O-N 3.39Å; A258-M262 WeakPolarHBondContact O-CG 3.43Å; A258-M262 PolarHBondContact O-N 3.13Å; A258-T318 HydrophobicContact CB-CG2 3.86Å
259A98.6Very high97.5Very high43 Ų4334.1 Ų34.136%0.35519%0.191SC..Hα-helixtrans-60.4-42.1177.800000112.1D255 I257 M262 Q263D255-A259 WeakPolarHBondContact O-CB 3.39Å; D255-A259 PolarHBondContact O-N 3.17Å; I257-A259 PolarHBondContact O-N 3.41Å; A259-M262 PolarHBondContact O-N 2.93Å; A259-Q263 VanDerWaalsContact O-CG 3.3Å; A259-Q263 WeakPolarHBondContact O-CG 3.47Å; A259-Q263 PolarHBondContact O-N 3.31Å
260A98.1Very high97.5Very high4 Ų434.1 Ų34.13%0.03319%0.191CC..Hα-helixtrans-63-43.6176.500000112.3I233 V256 I257 A258 Q263 G264 K265 V267I233-A260 HydrophobicContact CD1-CB 3.91Å; I233-A260 HydrophobicContact CG2-CB 3.92Å; V256-A260 VanDerWaalsContact O-CB 3.32Å; V256-A260 WeakPolarHBondContact O-CB 3.27Å; V256-A260 PolarHBondContact O-N 2.96Å; I257-A260 PolarHBondContact O-N 2.88Å; A258-A260 VanDerWaalsContact C-N 3.34Å; A258-A260 PolarHBondContact O-N 2.98Å; A260-Q263 PolarHBondContact O-N 3.42Å; A260-G264 PolarHBondContact O-N 3.17Å; A260-K265 HydrophobicContact CB-CB 4.29Å; A260-K265 HydrophobicContact CB-CD 3.95Å; A260-K265 VanDerWaalsContact O-CB 3.3Å; A260-K265 WeakPolarHBondContact O-CB 3.47Å; A260-K265 PolarHBondContact O-N 3.45Å; A260-V267 HydrophobicContact CB-CG2 4.08Å
261K96.9Very high97.6Very high51 Ų5134.1 Ų34.122%0.22219%0.191CC..Hα-helixtrans-63.9-40.7175.4-79.4-175.9164.4-177.80112I257 A258 Q263 G264 V267 D317 T318 N320I257-K261 HydrophobicContact CG2-CD 4.33Å; I257-K261 PolarHBondContact O-N 2.98Å; A258-K261 PolarHBondContact O-N 3.39Å; K261-Q263 VanDerWaalsContact C-N 3.3Å; K261-Q263 PolarHBondContact O-N 3.26Å; K261-G264 VanDerWaalsContact O-CA 3.25Å; K261-G264 WeakPolarHBondContact O-CA 3.2Å; K261-G264 PolarHBondContact O-N 3.45Å; K261-V267 WeakPolarHBondContact CE-O 3.26Å; K261-V267 HydrophobicContact CG-CB 4.47Å; K261-D317 PolarHBondContact NZ-O 2.95Å; K261-T318 WeakPolarHBondContact CE-O 3.3Å; K261-T318 PolarHBondContact NZ-O 3.09Å; K261-N320 PolarHBondContact NZ-OD1 3.37Å
262M96.8Very high97.6Very high168 Ų16832.6 Ų32.683%0.82818%0.184SC*.Hα-helixtrans-62.1-36.1174.6-73178.568.300112.6A258 A259 G264A258-M262 WeakPolarHBondContact O-CG 3.43Å; A258-M262 PolarHBondContact O-N 3.13Å; A259-M262 PolarHBondContact O-N 2.93Å; M262-G264 PolarHBondContact O-N 3.46Å
263Q95.4Very high97.6Very high130 Ų13031.2 Ų31.261%0.60717%0.174SC*.THydrogen-bonded Turntrans-72.81.1170.8-66.2168.21200112.9A259 A260 K261 K265A259-Q263 VanDerWaalsContact O-CG 3.3Å; A259-Q263 WeakPolarHBondContact O-CG 3.47Å; A259-Q263 PolarHBondContact O-N 3.31Å; A260-Q263 PolarHBondContact O-N 3.42Å; K261-Q263 VanDerWaalsContact C-N 3.3Å; K261-Q263 PolarHBondContact O-N 3.26Å; Q263-K265 VanDerWaalsContact C-N 3.31Å; Q263-K265 HydrophobicContact CB-CG 4.44Å; Q263-K265 PolarHBondContact O-N 3.31Å; Q263-K265 VanDerWaalsContact OE1-NZ 3.07Å
264G92.9Very high97.5Very high31 Ų3131.2 Ų31.232%0.3217%0.174SC..THydrogen-bonded Turntrans76.96.5-178.800000114.1A260 K261 M262 R478A260-G264 PolarHBondContact O-N 3.17Å; K261-G264 VanDerWaalsContact O-CA 3.25Å; K261-G264 WeakPolarHBondContact O-CA 3.2Å; K261-G264 PolarHBondContact O-N 3.45Å; M262-G264 PolarHBondContact O-N 3.46Å; G264-R478 VanDerWaalsContact C-NH2 3.34Å; G264-R478 PolarHBondContact O-NH1 2.76Å; G264-R478 PolarHBondContact O-NH2 2.85Å
265K94.6Very high97.5Very high40 Ų4031.4 Ų31.417%0.17418%0.175CC..  trans-57.5146.4179-62.7178.7-179.51630110.2I233 A260 Q263 V267I233-K265 HydrophobicContact CG2-CD 3.47Å; I233-K265 VanDerWaalsContact CG2-CD 3.47Å; A260-K265 HydrophobicContact CB-CB 4.29Å; A260-K265 HydrophobicContact CB-CD 3.95Å; A260-K265 VanDerWaalsContact O-CB 3.3Å; A260-K265 WeakPolarHBondContact O-CB 3.47Å; A260-K265 PolarHBondContact O-N 3.45Å; Q263-K265 VanDerWaalsContact C-N 3.31Å; Q263-K265 HydrophobicContact CB-CG 4.44Å; Q263-K265 PolarHBondContact O-N 3.31Å; Q263-K265 VanDerWaalsContact OE1-NZ 3.07Å; K265-V267 VanDerWaalsContact C-N 3.3Å; K265-V267 HydrophobicContact CB-CG2 3.94Å; K265-V267 PolarHBondContact O-N 2.76Å
266V94.8Very high97.5Very high20 Ų2028 Ų2812%0.12116%0.157CC..  trans-85.281.3-178.5-173.70000108.5P242 I243 V471 K474 L475P242-V266 HydrophobicContact CB-CG1 3.93Å; I243-V266 PolarHBondContact N-O 2.94Å; V266-V471 HydrophobicContact CG1-CB 4.31Å; V266-K474 HydrophobicContact CG2-CB 4.29Å; V266-L475 HydrophobicContact CB-CD2 3.99Å; V266-L475 HydrophobicContact CB-CG 4.28Å; V266-L475 HydrophobicContact CG1-CD1 4.37Å; V266-L475 HydrophobicContact CG1-CG 4.29Å; V266-L475 HydrophobicContact CG2-CD2 3.61Å; V266-L475 HydrophobicContact CG2-CG 3.97Å
267V97.1Very high97.5Very high9 Ų927 Ų276%0.05515%0.151CC..EExtended strand (participates in β ladder)trans-118.3130.1-179.7-176.80000108.1I233 I243 L245 I257 A260 K261 K265I233-V267 HydrophobicContact CD1-CG1 4.37Å; I233-V267 HydrophobicContact CD1-CG2 4.27Å; I233-V267 HydrophobicContact CG1-CG2 4.04Å; I233-V267 HydrophobicContact CG2-CG2 4.26Å; I243-V267 HydrophobicContact CG2-CB 4.09Å; I243-V267 HydrophobicContact CG2-CG1 3.95Å; I243-V267 HydrophobicContact CG2-CG2 3.76Å; L245-V267 HydrophobicContact CD1-CG1 3.88Å; I257-V267 HydrophobicContact CG2-CG1 4.17Å; A260-V267 HydrophobicContact CB-CG2 4.08Å; K261-V267 WeakPolarHBondContact CE-O 3.26Å; K261-V267 HydrophobicContact CG-CB 4.47Å; K265-V267 VanDerWaalsContact C-N 3.3Å; K265-V267 HydrophobicContact CB-CG2 3.94Å; K265-V267 PolarHBondContact O-N 2.76Å
268L97.8Very high97.5Very high26 Ų2627.7 Ų27.714%0.13616%0.155CC..EExtended strand (participates in β ladder)trans-117.4157.3162.2-70.4100.3000108.3I243 Y244 L245 L384 V471I243-L268 PolarHBondContact O-N 2.88Å; Y244-L268 CarbonylContact C-O 3.51Å; Y244-L268 WeakPolarHBondContact CA-O 3.46Å; Y244-L268 HydrophobicContact CD2-CB 3.69Å; Y244-L268 HydrophobicContact CE2-CB 4.27Å; L245-L268 PolarHBondContact N-O 3.21Å; L268-L384 HydrophobicContact CD2-CD1 4.47Å; L268-V471 HydrophobicContact CD1-CB 4.34Å; L268-V471 HydrophobicContact CD1-CG1 3.34Å
269A98.6Very high97.4Very high0 Ų027.8 Ų27.80%015%0.153CC..EExtended strand (participates in β ladder)trans-147.9152.2-177.200000111.9L245 V248 I257 L319 N320 I321L245-A269 HydrophobicContact CB-CB 4.23Å; L245-A269 CarbonylContact O-C 3.57Å; L245-A269 VanDerWaalsContact O-CA 3.27Å; L245-A269 WeakPolarHBondContact O-CA 3.41Å; V248-A269 HydrophobicContact CG2-CB 4.17Å; I257-A269 HydrophobicContact CD1-CB 3.83Å; I257-A269 HydrophobicContact CG2-CB 4.17Å; A269-L319 HydrophobicContact CB-CD2 3.44Å; A269-L319 VanDerWaalsContact CB-CD2 3.44Å; A269-N320 PolarHBondContact N-OD1 3.46Å; A269-N320 PolarHBondContact O-N 3.43Å; A269-I321 PolarHBondContact O-N 3.49Å
270E98.6Very high97.4Very high1 Ų125.8 Ų25.81%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-128.2139178170.5-17110100109T65 R189 Y244 L245 V246 N247 V248 I321 A323T65-E270 VanDerWaalsContact CB-OE2 3.25Å; T65-E270 WeakPolarHBondContact CB-OE2 3.44Å; T65-E270 PolarHBondContact OG1-OE2 2.89Å; R189-E270 IonicContact NH2-OE1 2.7Å; R189-E270 PolarHBondContact NH2-OE1 2.81Å; R189-E270 IonicContact NH2-OE2 3.84Å; Y244-E270 HydrophobicContact CE1-CB 4.04Å; Y244-E270 HydrophobicContact CE2-CB 4.14Å; Y244-E270 VanDerWaalsContact OH-CB 3.24Å; Y244-E270 WeakPolarHBondContact OH-CB 3.49Å; Y244-E270 PolarHBondContact OH-OE2 3.03Å; L245-E270 PolarHBondContact O-N 2.78Å; V246-E270 CarbonylContact C-O 3.47Å; N247-E270 PolarHBondContact N-O 2.75Å; N247-E270 VanDerWaalsContact N-O 3.12Å; V248-E270 WeakPolarHBondContact CG2-O 3.41Å; V248-E270 PolarHBondContact N-O 2.83Å; E270-I321 VanDerWaalsContact CA-O 3.28Å; E270-I321 WeakPolarHBondContact CA-O 3.46Å; E270-I321 HydrophobicContact CB-CB 4.38Å; E270-I321 HydrophobicContact CG-CB 4.45Å; E270-I321 HydrophobicContact CG-CG2 4.35Å; E270-A323 HydrophobicContact CG-CB 3.88Å; E270-A323 WeakPolarHBondContact OE1-CB 3.41Å
271T98.8Very high97.4Very high0 Ų030.1 Ų30.10%016%0.159CC..EExtended strand (participates in β ladder)trans-111.9168.8163.8-172.40000108.9V248 H275 A276 L314 L319 I321 V322 A323V248-T271 VanDerWaalsContact O-CB 3.28Å; V248-T271 WeakPolarHBondContact O-CB 3.46Å; V248-T271 PolarHBondContact O-OG1 2.87Å; T271-H275 WeakPolarHBondContact OG1-CB 3.19Å; T271-A276 HydrophobicContact CG2-CB 4.01Å; T271-L314 HydrophobicContact CG2-CD1 3.62Å; T271-L314 HydrophobicContact CG2-CD2 4.08Å; T271-L314 HydrophobicContact CG2-CG 3.88Å; T271-L319 HydrophobicContact CG2-CD1 3.96Å; T271-I321 PolarHBondContact N-O 3.12Å; T271-V322 WeakPolarHBondContact O-CA 3.47Å; T271-A323 PolarHBondContact O-N 2.79Å; T271-A323 VanDerWaalsContact O-N 3.08Å
272T98.7Very high97.4Very high2 Ų230 Ų301%0.01216%0.159CC..EExtended strand (participates in β ladder)trans-96.9161.3175.478.60000110.9N247 A274 H275 A276 A323 D325N247-T272 HydrophobicContact CB-CG2 3.72Å; T272-A274 PolarHBondContact O-N 3Å; T272-A274 PolarHBondContact OG1-N 3.15Å; T272-H275 WeakPolarHBondContact CG2-ND1 3.48Å; T272-H275 PolarHBondContact O-N 3.08Å; T272-H275 PolarHBondContact OG1-N 3.39Å; T272-H275 PolarHBondContact OG1-ND1 2.78Å; T272-A276 WeakPolarHBondContact O-CB 3.39Å; T272-A276 PolarHBondContact O-N 2.67Å; T272-A323 CarbonylContact C-O 3.54Å; T272-A323 VanDerWaalsContact CA-O 3.3Å; T272-A323 WeakPolarHBondContact CA-O 3.47Å; T272-D325 HydrophobicContact CG2-CB 3.66Å
273T98.7Very high97.5Very high0 Ų022.1 Ų22.10%012%0.12CC..Hα-helixtrans-55.7-42.1171.9-52.20000110.9T277 A323 R354 V357 I358 Y427T273-T277 WeakPolarHBondContact O-CB 3.4Å; T273-T277 WeakPolarHBondContact O-CG2 3.43Å; T273-T277 PolarHBondContact O-N 3.08Å; T273-T277 PolarHBondContact O-OG1 2.85Å; T273-A323 PolarHBondContact N-O 3.45Å; T273-A323 PolarHBondContact OG1-O 3.09Å; T273-A323 VanDerWaalsContact OG1-O 3.12Å; T273-R354 VanDerWaalsContact OG1-CG 3.3Å; T273-R354 WeakPolarHBondContact OG1-CG 3.49Å; T273-V357 HydrophobicContact CG2-CB 3.87Å; T273-V357 HydrophobicContact CG2-CG1 3.57Å; T273-I358 HydrophobicContact CG2-CD1 4.21Å; T273-I358 HydrophobicContact CG2-CG1 4.24Å; T273-Y427 HydrophobicContact CG2-CE1 4.43Å; T273-Y427 WeakPolarHBondContact CG2-OH 3.3Å
274A98.4Very high97.6Very high1 Ų121 Ų211%0.00811%0.111CC..Hα-helixtrans-65-48.9-179.400000111.2T272 A276 T277 L278 L300 V348 L426 Y427T272-A274 PolarHBondContact O-N 3Å; T272-A274 PolarHBondContact OG1-N 3.15Å; A274-A276 PolarHBondContact O-N 3.24Å; A274-T277 PolarHBondContact O-N 3.47Å; A274-L278 HydrophobicContact CB-CD1 4.14Å; A274-L278 WeakPolarHBondContact O-CA 3.41Å; A274-L278 VanDerWaalsContact O-CB 3.3Å; A274-L278 WeakPolarHBondContact O-CB 3.5Å; A274-L278 PolarHBondContact O-N 3.01Å; A274-L300 HydrophobicContact CB-CD2 4.11Å; A274-V348 HydrophobicContact CB-CG2 4.39Å; A274-L426 HydrophobicContact CB-CD1 4.18Å; A274-Y427 WeakPolarHBondContact CA-OH 3.47Å; A274-Y427 PolarHBondContact N-OH 2.87Å
275H98.7Very high97.9Very high3 Ų323.9 Ų23.91%0.01412%0.116CC..Hα-helixtrans-64-38.7179.4-63.4120000112.8S249 T271 T272 T277 P298 S307 L310S249-H275 WeakPolarHBondContact CB-CD2 3.31Å; S249-H275 WeakPolarHBondContact CB-NE2 3.4Å; T271-H275 WeakPolarHBondContact OG1-CB 3.19Å; T272-H275 WeakPolarHBondContact CG2-ND1 3.48Å; T272-H275 PolarHBondContact O-N 3.08Å; T272-H275 PolarHBondContact OG1-N 3.39Å; T272-H275 PolarHBondContact OG1-ND1 2.78Å; H275-T277 VanDerWaalsContact C-N 3.26Å; H275-T277 PolarHBondContact O-N 2.85Å; H275-P298 PolarHBondContact NE2-O 2.71Å; H275-S307 WeakPolarHBondContact O-CA 3.28Å; H275-L310 HydrophobicContact CB-CD1 3.96Å
276A98.4Very high98Very high3 Ų331 Ų313%0.02515%0.149CC..Hα-helixtrans-76.7-7.1-179.600000114.2T271 T272 A274 S307 M311 L314 I358T271-A276 HydrophobicContact CG2-CB 4.01Å; T272-A276 WeakPolarHBondContact O-CB 3.39Å; T272-A276 PolarHBondContact O-N 2.67Å; A274-A276 PolarHBondContact O-N 3.24Å; A276-S307 CarbonylContact O-C 3.54Å; A276-M311 HydrophobicContact CB-CE 4.21Å; A276-L314 HydrophobicContact CB-CD1 4.2Å; A276-I358 HydrophobicContact CB-CD1 4.45Å
277T98.2Very high98.2Very high12 Ų1234 Ų347%0.07417%0.165CC..Hα-helixtrans-138.2-16.8-172.666.30000116.4T273 A274 H275 M311 V357 I358 R361 Y427T273-T277 WeakPolarHBondContact O-CB 3.4Å; T273-T277 WeakPolarHBondContact O-CG2 3.43Å; T273-T277 PolarHBondContact O-N 3.08Å; T273-T277 PolarHBondContact O-OG1 2.85Å; A274-T277 PolarHBondContact O-N 3.47Å; H275-T277 VanDerWaalsContact C-N 3.26Å; H275-T277 PolarHBondContact O-N 2.85Å; T277-M311 HydrophobicContact CG2-CE 3.93Å; T277-V357 HydrophobicContact CG2-CG1 3.71Å; T277-I358 HydrophobicContact CG2-CD1 4.06Å; T277-R361 HydrophobicContact CG2-CB 3.83Å; T277-R361 HydrophobicContact CG2-CG 3.66Å; T277-Y427 WeakPolarHBondContact OG1-CE1 3.34Å
278L98.2Very high98.3Very high15 Ų1536.3 Ų36.38%0.07917%0.173CC..  trans-115.3172.2-179.3-56.9172.9000111A274 Y294 L300 L426 Y427A274-L278 HydrophobicContact CB-CD1 4.14Å; A274-L278 WeakPolarHBondContact O-CA 3.41Å; A274-L278 VanDerWaalsContact O-CB 3.3Å; A274-L278 WeakPolarHBondContact O-CB 3.5Å; A274-L278 PolarHBondContact O-N 3.01Å; L278-Y294 HydrophobicContact CD1-CD1 4.16Å; L278-Y294 HydrophobicContact CD1-CE1 3.96Å; L278-L300 HydrophobicContact CB-CD1 3.95Å; L278-L300 HydrophobicContact CB-CD2 4.28Å; L278-L300 HydrophobicContact CD1-CD1 4.5Å; L278-L426 HydrophobicContact CD1-CB 3.81Å; L278-L426 HydrophobicContact CD1-CD1 3.93Å; L278-L426 HydrophobicContact CD1-CG 4.48Å; L278-Y427 HydrophobicContact CD1-CD1 4.27Å; L278-Y427 HydrophobicContact CD1-CE1 3.68Å; L278-Y427 HydrophobicContact CD2-CD1 4.02Å; L278-Y427 HydrophobicContact CD2-CE1 4.02Å; L278-Y427 HydrophobicContact CG-CD1 4.35Å; L278-Y427 HydrophobicContact CG-CE1 3.84Å
279T97.7Very high98.3Very high25 Ų2537.1 Ų37.115%0.15318%0.181CC..  trans-131.2157.5178.970.40000110.2L281 H282 T304T279-L281 PolarHBondContact O-N 3.12Å; T279-L281 VanDerWaalsContact O-N 3.17Å; T279-H282 PolarHBondContact O-CD2 3.3Å; T279-H282 VanDerWaalsContact O-CD2 3.26Å; T279-T304 HydrophobicContact CG2-CG2 4.48Å
280G97.8Very high98.3Very high0 Ų038.8 Ų38.80%019%0.188CC..G310 helixtrans-68.4-5.7178.200000114.2H282 Y283 L300 R301 L302G280-H282 PolarHBondContact O-N 3.41Å; G280-Y283 WeakPolarHBondContact O-CB 3.38Å; G280-Y283 VanDerWaalsContact O-CD2 3.24Å; G280-Y283 WeakPolarHBondContact O-CD2 3.17Å; G280-Y283 PolarHBondContact O-N 2.96Å; G280-L300 WeakPolarHBondContact CA-O 3.46Å; G280-R301 PolarHBondContact N-O 3.08Å; G280-L302 WeakPolarHBondContact O-CD2 3.46Å
281L98Very high98.3Very high95 Ų9538.8 Ų38.850%0.49719%0.188SC..G310 helixtrans-56.8-25.1176.6-65.1-180000112.5T279 Y283 Y284 L302 T304T279-L281 PolarHBondContact O-N 3.12Å; T279-L281 VanDerWaalsContact O-N 3.17Å; L281-Y283 PolarHBondContact O-N 2.5Å; L281-Y284 PolarHBondContact O-N 2.57Å; L281-L302 HydrophobicContact CD2-CD2 4.37Å; L281-T304 HydrophobicContact CD1-CG2 3.73Å
282H98.1Very high98.2Very high50 Ų5038.8 Ų38.823%0.23119%0.188CC..G310 helixtrans-62-26.3174.7-66.6-60.8000113.8T279 G280 Y284 H285 H290 A291 Y294T279-H282 PolarHBondContact O-CD2 3.3Å; T279-H282 VanDerWaalsContact O-CD2 3.26Å; G280-H282 PolarHBondContact O-N 3.41Å; H282-Y284 PolarHBondContact O-N 3.35Å; H282-H285 VanDerWaalsContact O-CB 3.3Å; H282-H285 WeakPolarHBondContact O-CB 3.46Å; H282-H285 PolarHBondContact O-N 3.14Å; H282-H290 AromaticContact CG-NE2 4Å; H282-H290 AromaticContact ND1-NE2 3.29Å; H282-H290 PolarHBondContact ND1-NE2 2.91Å; H282-A291 VanDerWaalsContact O-CA 3.3Å; H282-A291 WeakPolarHBondContact O-CA 3.49Å; H282-A291 WeakPolarHBondContact O-CB 3.3Å; H282-Y294 HydrophobicContact CB-CD1 3.76Å; H282-Y294 HydrophobicContact CB-CD2 3.62Å; H282-Y294 HydrophobicContact CB-CE1 4.09Å; H282-Y294 HydrophobicContact CB-CE2 3.98Å; H282-Y294 HydrophobicContact CB-CG 3.51Å; H282-Y294 AromaticContact CD2-CD1 3.42Å; H282-Y294 VanDerWaalsContact CD2-CD1 3.42Å; H282-Y294 WeakPolarHBondContact CD2-CD1 3.45Å; H282-Y294 AromaticContact CD2-CE1 3.2Å; H282-Y294 WeakPolarHBondContact CD2-CE1 3.38Å; H282-Y294 AromaticContact CD2-CZ 3.77Å; H282-Y294 AromaticContact CE1-CE1 3.94Å; H282-Y294 AromaticContact CE1-CZ 3.83Å; H282-Y294 AromaticContact CG-CD1 3.65Å; H282-Y294 AromaticContact CG-CD2 4Å; H282-Y294 AromaticContact CG-CE1 3.51Å; H282-Y294 AromaticContact CG-CE2 3.9Å; H282-Y294 AromaticContact CG-CG 3.91Å; H282-Y294 AromaticContact CG-CZ 3.65Å; H282-Y294 AromaticContact ND1-CE1 3.97Å; H282-Y294 AromaticContact ND1-CZ 3.71Å; H282-Y294 AromaticContact NE2-CE1 3.53Å; H282-Y294 AromaticContact NE2-CZ 3.91Å
283Y98.4Very high98.2Very high1 Ų139.1 Ų39.10%0.00419%0.192CC..G310 helixtrans-67.7-21.9177.7-57.6-43.5000113.4I216 E217 G280 L281 A291 Y294 V295 P299 L300I216-Y283 HydrophobicContact CG2-CD1 4.17Å; I216-Y283 HydrophobicContact CG2-CD2 4.11Å; I216-Y283 HydrophobicContact CG2-CE1 3.87Å; I216-Y283 HydrophobicContact CG2-CE2 3.76Å; I216-Y283 HydrophobicContact CG2-CG 4.28Å; E217-Y283 HydrophobicContact CB-CD2 3.91Å; E217-Y283 HydrophobicContact CB-CE2 4.09Å; E217-Y283 HydrophobicContact CG-CD2 4.44Å; E217-Y283 HydrophobicContact CG-CE2 4.48Å; G280-Y283 WeakPolarHBondContact O-CB 3.38Å; G280-Y283 VanDerWaalsContact O-CD2 3.24Å; G280-Y283 WeakPolarHBondContact O-CD2 3.17Å; G280-Y283 PolarHBondContact O-N 2.96Å; L281-Y283 PolarHBondContact O-N 2.5Å; Y283-A291 WeakPolarHBondContact O-CB 3.42Å; Y283-Y294 WeakPolarHBondContact CE1-O 3.41Å; Y283-Y294 PolarHBondContact OH-O 3.42Å; Y283-V295 HydrophobicContact CD1-CG2 4.49Å; Y283-V295 HydrophobicContact CE1-CG2 4.26Å; Y283-P299 HydrophobicContact CE2-CB 3.99Å; Y283-L300 HydrophobicContact CE2-CB 4.09Å; Y283-L300 WeakPolarHBondContact CE2-O 3.43Å; Y283-L300 PolarHBondContact OH-N 3.3Å; Y283-L300 VanDerWaalsContact OH-N 3.08Å
284Y98.2Very high98.2Very high107 Ų10739.6 Ų39.642%0.4219%0.193SC..G310 helixtrans-97.313.2179.4-69-94.6000112.6E214 L281 H282 L302E214-Y284 HydrophobicContact CB-CD1 4.14Å; E214-Y284 HydrophobicContact CB-CD2 4.34Å; E214-Y284 HydrophobicContact CB-CE1 3.82Å; E214-Y284 HydrophobicContact CB-CE2 4Å; E214-Y284 HydrophobicContact CB-CG 4.4Å; E214-Y284 HydrophobicContact CG-CE1 4.25Å; L281-Y284 PolarHBondContact O-N 2.57Å; H282-Y284 PolarHBondContact O-N 3.35Å; Y284-L302 HydrophobicContact CD2-CD2 3.74Å; Y284-L302 HydrophobicContact CE2-CD1 3.88Å; Y284-L302 HydrophobicContact CE2-CD2 3.46Å; Y284-L302 VanDerWaalsContact CE2-CD2 3.46Å; Y284-L302 HydrophobicContact CE2-CG 4.28Å
285H98.2Very high98.2Very high91 Ų9139.5 Ų39.542%0.42119%0.193SC..  trans-66.4139.8175.2-169-88.1000110.8H282 D287 H290 A291H282-H285 VanDerWaalsContact O-CB 3.3Å; H282-H285 WeakPolarHBondContact O-CB 3.46Å; H282-H285 PolarHBondContact O-N 3.14Å; H285-D287 VanDerWaalsContact C-N 3.3Å; H285-D287 WeakPolarHBondContact ND1-CB 3.33Å; H285-D287 PolarHBondContact ND1-N 2.86Å; H285-D287 PolarHBondContact ND1-O 3.11Å; H285-D287 PolarHBondContact O-N 2.79Å; H285-H290 HydrophobicContact CB-CB 4.42Å; H285-H290 VanDerWaalsContact CB-CD2 3.5Å; H285-H290 WeakPolarHBondContact CB-CD2 3.42Å; H285-H290 AromaticContact CD2-CD2 3.84Å; H285-H290 AromaticContact CE1-CG 3.97Å; H285-H290 AromaticContact CG-CD2 3.45Å; H285-H290 VanDerWaalsContact CG-CD2 3.45Å; H285-H290 AromaticContact CG-CG 3.68Å; H285-H290 WeakPolarHBondContact ND1-CB 3.4Å; H285-H290 AromaticContact ND1-CD2 3.89Å; H285-H290 AromaticContact ND1-CG 3.64Å; H285-A291 HydrophobicContact CB-CB 4.32Å
286Q97.8Very high98.2Very high189 Ų18939.6 Ų39.688%0.88319%0.194SC*.SBendtrans-66.8-30.6-174.9-64.5-62.8-54.800113.3W288Q286-W288 PolarHBondContact O-N 2.95Å
287D98.1Very high98.1Very high83 Ų8339.7 Ų39.744%0.44419%0.194SC..SBendtrans-79.6115.5168177.814.1000110.2H285 S289 H290 A291H285-D287 VanDerWaalsContact C-N 3.3Å; H285-D287 WeakPolarHBondContact ND1-CB 3.33Å; H285-D287 PolarHBondContact ND1-N 2.86Å; H285-D287 PolarHBondContact ND1-O 3.11Å; H285-D287 PolarHBondContact O-N 2.79Å; D287-S289 VanDerWaalsContact C-N 3.27Å; D287-S289 PolarHBondContact O-N 3.37Å; D287-S289 PolarHBondContact OD1-N 3.18Å; D287-H290 HydrophobicContact CB-CB 4.15Å; D287-H290 WeakPolarHBondContact O-CB 3.48Å; D287-H290 PolarHBondContact O-N 3.08Å; D287-A291 PolarHBondContact O-N 3.14Å
288W98.4Very high98.1Very high58 Ų5839.1 Ų39.122%0.2219%0.191CC..Hα-helixtrans-56.8-39.5177.8-176.996.6000112.3Q286 A291 A292 K334 A335 K338 I344Q286-W288 PolarHBondContact O-N 2.95Å; W288-A291 PolarHBondContact O-N 3.12Å; W288-A292 HydrophobicContact CD2-CB 4.21Å; W288-A292 HydrophobicContact CE3-CB 4Å; W288-A292 HydrophobicContact CH2-CB 3.43Å; W288-A292 VanDerWaalsContact CH2-CB 3.43Å; W288-A292 HydrophobicContact CZ2-CB 3.72Å; W288-A292 HydrophobicContact CZ3-CB 3.61Å; W288-A292 VanDerWaalsContact O-CB 3.25Å; W288-A292 WeakPolarHBondContact O-CB 3.4Å; W288-A292 PolarHBondContact O-N 3.06Å; W288-K334 WeakPolarHBondContact CH2-O 3.25Å; W288-A335 VanDerWaalsContact CH2-CA 3.49Å; W288-A335 HydrophobicContact CH2-CB 4.38Å; W288-A335 HydrophobicContact CZ3-CB 4.13Å; W288-K338 HydrophobicContact CH2-CB 4.28Å; W288-K338 HydrophobicContact CZ2-CB 4.05Å; W288-I344 HydrophobicContact CH2-CD1 4.43Å; W288-I344 HydrophobicContact CH2-CG1 4.48Å; W288-I344 HydrophobicContact CZ2-CD1 3.73Å; W288-I344 HydrophobicContact CZ2-CG1 4.04Å
289S98Very high98.1Very high43 Ų4338.4 Ų38.430%0.30119%0.187SC..Hα-helixtrans-66.2-41.1-178.3-73.90000111.5D287 A293D287-S289 VanDerWaalsContact C-N 3.27Å; D287-S289 PolarHBondContact O-N 3.37Å; D287-S289 PolarHBondContact OD1-N 3.18Å; S289-A293 PolarHBondContact O-N 3.21Å; S289-A293 VanDerWaalsContact O-N 3.16Å
290H98.2Very high98.1Very high35 Ų3537.3 Ų37.316%0.16218%0.18CC..Hα-helixtrans-59.1-53.1170.6-178.3102.9000110.7H282 H285 D287 A292 A293 Y294 F424H282-H290 AromaticContact CG-NE2 4Å; H282-H290 AromaticContact ND1-NE2 3.29Å; H282-H290 PolarHBondContact ND1-NE2 2.91Å; H285-H290 HydrophobicContact CB-CB 4.42Å; H285-H290 VanDerWaalsContact CB-CD2 3.5Å; H285-H290 WeakPolarHBondContact CB-CD2 3.42Å; H285-H290 AromaticContact CD2-CD2 3.84Å; H285-H290 AromaticContact CE1-CG 3.97Å; H285-H290 AromaticContact CG-CD2 3.45Å; H285-H290 VanDerWaalsContact CG-CD2 3.45Å; H285-H290 AromaticContact CG-CG 3.68Å; H285-H290 WeakPolarHBondContact ND1-CB 3.4Å; H285-H290 AromaticContact ND1-CD2 3.89Å; H285-H290 AromaticContact ND1-CG 3.64Å; D287-H290 HydrophobicContact CB-CB 4.15Å; D287-H290 WeakPolarHBondContact O-CB 3.48Å; D287-H290 PolarHBondContact O-N 3.08Å; H290-A292 PolarHBondContact O-N 3.24Å; H290-A293 WeakPolarHBondContact O-CB 3.41Å; H290-A293 PolarHBondContact O-N 3.24Å; H290-Y294 AromaticContact CD2-CE2 3.77Å; H290-Y294 AromaticContact CE1-CE2 3.7Å; H290-Y294 AromaticContact NE2-CE2 3.27Å; H290-Y294 VanDerWaalsContact NE2-CE2 3.27Å; H290-Y294 WeakPolarHBondContact NE2-CE2 3.45Å; H290-Y294 AromaticContact NE2-CZ 3.89Å; H290-Y294 VanDerWaalsContact O-CD2 3.24Å; H290-Y294 WeakPolarHBondContact O-CD2 3.48Å; H290-F424 AromaticContact ND1-CZ 3.79Å
291A98.6Very high98.2Very high1 Ų137.6 Ų37.61%0.00818%0.181CC..Hα-helixtrans-60.6-43.4-177.200000112.7P213 H282 Y283 H285 D287 W288 A293 Y294P213-A291 HydrophobicContact CB-CB 3.91Å; P213-A291 HydrophobicContact CG-CB 3.78Å; H282-A291 VanDerWaalsContact O-CA 3.3Å; H282-A291 WeakPolarHBondContact O-CA 3.49Å; H282-A291 WeakPolarHBondContact O-CB 3.3Å; Y283-A291 WeakPolarHBondContact O-CB 3.42Å; H285-A291 HydrophobicContact CB-CB 4.32Å; D287-A291 PolarHBondContact O-N 3.14Å; W288-A291 PolarHBondContact O-N 3.12Å; A291-A293 VanDerWaalsContact C-N 3.28Å; A291-A293 PolarHBondContact O-N 3.2Å; A291-Y294 PolarHBondContact O-N 3.41Å
292A98.5Very high98.2Very high0 Ų035.5 Ų35.50%017%0.17CC..Hα-helixtrans-65.5-28.7179.100000113.1P213 W288 H290 Y294 V295 K334 I344P213-A292 HydrophobicContact CG-CB 3.98Å; W288-A292 HydrophobicContact CD2-CB 4.21Å; W288-A292 HydrophobicContact CE3-CB 4Å; W288-A292 HydrophobicContact CH2-CB 3.43Å; W288-A292 VanDerWaalsContact CH2-CB 3.43Å; W288-A292 HydrophobicContact CZ2-CB 3.72Å; W288-A292 HydrophobicContact CZ3-CB 3.61Å; W288-A292 VanDerWaalsContact O-CB 3.25Å; W288-A292 WeakPolarHBondContact O-CB 3.4Å; W288-A292 PolarHBondContact O-N 3.06Å; H290-A292 PolarHBondContact O-N 3.24Å; A292-Y294 PolarHBondContact O-N 3.41Å; A292-V295 WeakPolarHBondContact O-CB 3.35Å; A292-V295 WeakPolarHBondContact O-CG2 3.41Å; A292-V295 PolarHBondContact O-N 3.43Å; A292-K334 HydrophobicContact CB-CB 4.33Å; A292-K334 WeakPolarHBondContact O-CD 3.5Å; A292-K334 WeakPolarHBondContact O-CE 3.46Å; A292-I344 HydrophobicContact CB-CD1 4.19Å
293A98.1Very high98.2Very high10 Ų1036.3 Ų36.38%0.08318%0.176CC..Hα-helixtrans-63.4-29.2179.100000112.9S289 H290 A291 F424S289-A293 PolarHBondContact O-N 3.21Å; S289-A293 VanDerWaalsContact O-N 3.16Å; H290-A293 WeakPolarHBondContact O-CB 3.41Å; H290-A293 PolarHBondContact O-N 3.24Å; A291-A293 VanDerWaalsContact C-N 3.28Å; A291-A293 PolarHBondContact O-N 3.2Å; A293-F424 HydrophobicContact CB-CB 4.28Å; A293-F424 HydrophobicContact CB-CD1 3.41Å; A293-F424 VanDerWaalsContact CB-CD1 3.41Å; A293-F424 HydrophobicContact CB-CD2 3.87Å; A293-F424 HydrophobicContact CB-CE1 3.57Å; A293-F424 HydrophobicContact CB-CE2 4.01Å; A293-F424 HydrophobicContact CB-CG 3.58Å; A293-F424 HydrophobicContact CB-CZ 3.87Å
294Y98.4Very high98.1Very high9 Ų940 Ų404%0.03520%0.199CC..THydrogen-bonded Turntrans-85.6-6.2179.1-69.1-101.7000113.3L278 H282 Y283 H290 A291 A292 T296 L300 F424 L426L278-Y294 HydrophobicContact CD1-CD1 4.16Å; L278-Y294 HydrophobicContact CD1-CE1 3.96Å; H282-Y294 HydrophobicContact CB-CD1 3.76Å; H282-Y294 HydrophobicContact CB-CD2 3.62Å; H282-Y294 HydrophobicContact CB-CE1 4.09Å; H282-Y294 HydrophobicContact CB-CE2 3.98Å; H282-Y294 HydrophobicContact CB-CG 3.51Å; H282-Y294 AromaticContact CD2-CD1 3.42Å; H282-Y294 VanDerWaalsContact CD2-CD1 3.42Å; H282-Y294 WeakPolarHBondContact CD2-CD1 3.45Å; H282-Y294 AromaticContact CD2-CE1 3.2Å; H282-Y294 WeakPolarHBondContact CD2-CE1 3.38Å; H282-Y294 AromaticContact CD2-CZ 3.77Å; H282-Y294 AromaticContact CE1-CE1 3.94Å; H282-Y294 AromaticContact CE1-CZ 3.83Å; H282-Y294 AromaticContact CG-CD1 3.65Å; H282-Y294 AromaticContact CG-CD2 4Å; H282-Y294 AromaticContact CG-CE1 3.51Å; H282-Y294 AromaticContact CG-CE2 3.9Å; H282-Y294 AromaticContact CG-CG 3.91Å; H282-Y294 AromaticContact CG-CZ 3.65Å; H282-Y294 AromaticContact ND1-CE1 3.97Å; H282-Y294 AromaticContact ND1-CZ 3.71Å; H282-Y294 AromaticContact NE2-CE1 3.53Å; H282-Y294 AromaticContact NE2-CZ 3.91Å; Y283-Y294 WeakPolarHBondContact CE1-O 3.41Å; Y283-Y294 PolarHBondContact OH-O 3.42Å; H290-Y294 AromaticContact CD2-CE2 3.77Å; H290-Y294 AromaticContact CE1-CE2 3.7Å; H290-Y294 AromaticContact NE2-CE2 3.27Å; H290-Y294 VanDerWaalsContact NE2-CE2 3.27Å; H290-Y294 WeakPolarHBondContact NE2-CE2 3.45Å; H290-Y294 AromaticContact NE2-CZ 3.89Å; H290-Y294 VanDerWaalsContact O-CD2 3.24Å; H290-Y294 WeakPolarHBondContact O-CD2 3.48Å; A291-Y294 PolarHBondContact O-N 3.41Å; A292-Y294 PolarHBondContact O-N 3.41Å; Y294-T296 PolarHBondContact O-N 3.01Å; Y294-L300 HydrophobicContact CD1-CD1 3.92Å; Y294-F424 HydrophobicContact CD2-CE1 4.32Å; Y294-F424 AromaticContact CE2-CE1 3.57Å; Y294-F424 HydrophobicContact CE2-CE1 3.57Å; Y294-F424 AromaticContact CE2-CZ 3.69Å; Y294-F424 HydrophobicContact CE2-CZ 3.69Å; Y294-L426 HydrophobicContact CD1-CD2 3.8Å; Y294-L426 HydrophobicContact CD2-CD2 4.33Å; Y294-L426 HydrophobicContact CE1-CB 4.11Å; Y294-L426 HydrophobicContact CE1-CD2 3.93Å; Y294-L426 HydrophobicContact CE2-CD2 4.43Å; Y294-L426 HydrophobicContact CG-CD2 4.01Å; Y294-L426 PolarHBondContact OH-O 3.23Å; Y294-L426 VanDerWaalsContact OH-O 3.1Å
295V98.5Very high98.1Very high0 Ų039.6 Ų39.60%020%0.204CC..  trans-61.1108.7-176.5171.80000110.4P213 I216 Y283 A292 K334 I344 G347P213-V295 HydrophobicContact CB-CG2 3.9Å; I216-V295 HydrophobicContact CD1-CG1 4.5Å; I216-V295 HydrophobicContact CG1-CG1 4.2Å; I216-V295 HydrophobicContact CG2-CG2 4.48Å; Y283-V295 HydrophobicContact CD1-CG2 4.49Å; Y283-V295 HydrophobicContact CE1-CG2 4.26Å; A292-V295 WeakPolarHBondContact O-CB 3.35Å; A292-V295 WeakPolarHBondContact O-CG2 3.41Å; A292-V295 PolarHBondContact O-N 3.43Å; V295-K334 PolarHBondContact O-NZ 3.01Å; V295-I344 HydrophobicContact CB-CG2 3.92Å; V295-I344 HydrophobicContact CG1-CB 4.23Å; V295-I344 HydrophobicContact CG1-CG2 3.89Å; V295-I344 HydrophobicContact CG2-CD1 4.14Å; V295-I344 HydrophobicContact CG2-CG2 4.15Å; V295-G347 PolarHBondContact O-N 3.24Å; V295-G347 VanDerWaalsContact O-N 3.12Å
296T97.7Very high98.1Very high4 Ų435.4 Ų35.43%0.02519%0.185CC..  trans-136.9164.3177.1-1670000110.1Y294 P298 P299 L300Y294-T296 PolarHBondContact O-N 3.01Å; T296-P298 CarbonylContact C-O 3.49Å; T296-P299 WeakPolarHBondContact O-CA 3.24Å; T296-L300 HydrophobicContact CG2-CD2 4.39Å; T296-L300 HydrophobicContact CG2-CG 4.12Å
297V97.4Very high98.1Very high5 Ų527 Ų273%0.0315%0.147CC..SBendtrans-138.8123.8-174.9176.60000109.4H191 E193 I216 N247 H346H191-V297 PolarHBondContact CE1-O 3.28Å; H191-V297 VanDerWaalsContact CE1-O 3.32Å; E193-V297 WeakPolarHBondContact OE2-CG1 3.24Å; I216-V297 HydrophobicContact CD1-CG2 4.04Å; I216-V297 HydrophobicContact CG1-CG2 4.34Å; N247-V297 PolarHBondContact ND2-O 2.83Å; V297-H346 HydrophobicContact CB-CB 4.27Å; V297-H346 HydrophobicContact CG2-CB 3.76Å; V297-H346 WeakPolarHBondContact CG2-ND1 3.38Å
298P98Very high98.1Very high1 Ų126.4 Ų26.41%0.00615%0.146CC..SBendcis-59.5152-3.7-19.132.3000111.9E193 N247 S249 H275 T296E193-P298 HydrophobicContact CG-CB 4.17Å; E193-P298 HydrophobicContact CG-CG 3.96Å; N247-P298 VanDerWaalsContact CG-CD 3.43Å; N247-P298 WeakPolarHBondContact ND2-CD 3.41Å; S249-P298 WeakPolarHBondContact OG-CB 3.44Å; H275-P298 PolarHBondContact NE2-O 2.71Å; T296-P298 CarbonylContact C-O 3.49Å
299P98.3Very high98.1Very high0 Ų027.2 Ų27.20%015%0.15CC..PPolyproline II helixtrans-68153.8-173.528.7-35.3000112.4I216 E217 R220 S249 Y283 T296 R301I216-P299 HydrophobicContact CG2-CB 4.23Å; E217-P299 HydrophobicContact CB-CB 4.41Å; R220-P299 HydrophobicContact CB-CG 4.26Å; S249-P299 PolarHBondContact OG-O 2.7Å; Y283-P299 HydrophobicContact CE2-CB 3.99Å; T296-P299 WeakPolarHBondContact O-CA 3.24Å; P299-R301 PolarHBondContact O-NE 3.4Å
300L98.5Very high98.1Very high2 Ų225.2 Ų25.21%0.0114%0.136CC..PPolyproline II helixtrans-57.2137.6161.4-59.4177.1000109.6A274 L278 G280 Y283 Y294 T296A274-L300 HydrophobicContact CB-CD2 4.11Å; L278-L300 HydrophobicContact CB-CD1 3.95Å; L278-L300 HydrophobicContact CB-CD2 4.28Å; L278-L300 HydrophobicContact CD1-CD1 4.5Å; G280-L300 WeakPolarHBondContact CA-O 3.46Å; Y283-L300 HydrophobicContact CE2-CB 4.09Å; Y283-L300 WeakPolarHBondContact CE2-O 3.43Å; Y283-L300 PolarHBondContact OH-N 3.3Å; Y283-L300 VanDerWaalsContact OH-N 3.08Å; Y294-L300 HydrophobicContact CD1-CD1 3.92Å; T296-L300 HydrophobicContact CG2-CD2 4.39Å; T296-L300 HydrophobicContact CG2-CG 4.12Å
301R98.5Very high98.1Very high6 Ų623.6 Ų23.62%0.02313%0.128CC..PPolyproline II helixtrans-90.3145.7-174.5-54-55.6-179.3174.8-0.5112.3R220 E225 S249 G280 P299 D303 T306R220-R301 PolarHBondContact O-NH1 3.25Å; E225-R301 IonicContact OE2-CZ 3.95Å; E225-R301 IonicContact OE2-NE 2.73Å; E225-R301 IonicContact OE2-NH2 2.78Å; E225-R301 PolarHBondContact OE2-NH2 3.24Å; S249-R301 VanDerWaalsContact O-CG 3.26Å; S249-R301 WeakPolarHBondContact O-CG 3.34Å; S249-R301 PolarHBondContact OG-NE 3.25Å; S249-R301 PolarHBondContact OG-NH2 3.2Å; S249-R301 VanDerWaalsContact OG-NH2 3.12Å; G280-R301 PolarHBondContact N-O 3.08Å; P299-R301 PolarHBondContact O-NE 3.4Å; R301-D303 VanDerWaalsContact C-N 3.34Å; R301-T306 HydrophobicContact CB-CG2 4Å; R301-T306 HydrophobicContact CG-CG2 3.98Å
302L98.1Very high98.1Very high51 Ų5125.6 Ų25.627%0.26714%0.142SC..SBendtrans-71-27.3-177.9-66.2173.3000113.7E217 G280 L281 Y284 T304E217-L302 HydrophobicContact CG-CD1 4.37Å; E217-L302 HydrophobicContact CG-CG 4.06Å; E217-L302 VanDerWaalsContact OE2-CD1 3.29Å; E217-L302 WeakPolarHBondContact OE2-CD1 3.43Å; G280-L302 WeakPolarHBondContact O-CD2 3.46Å; L281-L302 HydrophobicContact CD2-CD2 4.37Å; Y284-L302 HydrophobicContact CD2-CD2 3.74Å; Y284-L302 HydrophobicContact CE2-CD1 3.88Å; Y284-L302 HydrophobicContact CE2-CD2 3.46Å; Y284-L302 VanDerWaalsContact CE2-CD2 3.46Å; Y284-L302 HydrophobicContact CE2-CG 4.28Å; L302-T304 PolarHBondContact O-N 2.9Å; L302-T304 VanDerWaalsContact O-N 3.14Å
303D97.7Very high98.1Very high67 Ų6725.9 Ų25.936%0.35814%0.144SC..  trans-64.1115.7174.1-176.9-4.6000110.1R301 N305 T306R301-D303 VanDerWaalsContact C-N 3.34Å; D303-N305 PolarHBondContact O-N 3.16Å; D303-N305 VanDerWaalsContact O-N 3.09Å; D303-N305 WeakPolarHBondContact OD1-CB 3.39Å; D303-N305 PolarHBondContact OD1-N 3.15Å; D303-N305 PolarHBondContact OD1-ND2 2.86Å; D303-T306 WeakPolarHBondContact O-CB 3.14Å; D303-T306 PolarHBondContact O-N 3.23Å; D303-T306 PolarHBondContact O-OG1 2.99Å; D303-T306 VanDerWaalsContact O-OG1 3.07Å
304T96.8Very high98.2Very high78 Ų7825.4 Ų25.448%0.47914%0.14SC..THydrogen-bonded Turntrans-62.6-17179.8530000113.7T279 L281 L302T279-T304 HydrophobicContact CG2-CG2 4.48Å; L281-T304 HydrophobicContact CD1-CG2 3.73Å; L302-T304 PolarHBondContact O-N 2.9Å; L302-T304 VanDerWaalsContact O-N 3.14Å
305N97.8Very high98.2Very high98 Ų9826.3 Ų26.352%0.52415%0.149SC..THydrogen-bonded Turntrans-80.9-18.3175.8-61-59.9000113.2D303 S307 T308 Y309D303-N305 PolarHBondContact O-N 3.16Å; D303-N305 VanDerWaalsContact O-N 3.09Å; D303-N305 WeakPolarHBondContact OD1-CB 3.39Å; D303-N305 PolarHBondContact OD1-N 3.15Å; D303-N305 PolarHBondContact OD1-ND2 2.86Å; N305-S307 PolarHBondContact O-N 2.71Å; N305-T308 WeakPolarHBondContact O-CB 3.39Å; N305-T308 PolarHBondContact O-N 2.77Å; N305-Y309 WeakPolarHBondContact O-CB 3.25Å; N305-Y309 PolarHBondContact O-N 2.83Å
306T98.5Very high98.2Very high4 Ų430.8 Ų30.83%0.02517%0.173CC..Hα-helixtrans-57.4-48.5-173.1-57.20000112.4S249 I251 R301 D303 T308 Y309 L310S249-T306 WeakPolarHBondContact O-CG2 3.28Å; I251-T306 HydrophobicContact CG1-CG2 4.25Å; R301-T306 HydrophobicContact CB-CG2 4Å; R301-T306 HydrophobicContact CG-CG2 3.98Å; D303-T306 WeakPolarHBondContact O-CB 3.14Å; D303-T306 PolarHBondContact O-N 3.23Å; D303-T306 PolarHBondContact O-OG1 2.99Å; D303-T306 VanDerWaalsContact O-OG1 3.07Å; T306-T308 PolarHBondContact O-N 2.8Å; T306-Y309 WeakPolarHBondContact O-CB 3.47Å; T306-Y309 PolarHBondContact O-N 3.41Å; T306-Y309 VanDerWaalsContact O-N 3.13Å; T306-L310 HydrophobicContact CG2-CD1 4Å; T306-L310 HydrophobicContact CG2-CG 4.25Å; T306-L310 WeakPolarHBondContact O-CG 3.3Å; T306-L310 PolarHBondContact O-N 3.41Å
307S97.7Very high98.2Very high13 Ų1334 Ų349%0.09119%0.19CC..Hα-helixtrans-60.2-45.3179.557.60000112.1H275 A276 N305 Y309 L310 M311H275-S307 WeakPolarHBondContact O-CA 3.28Å; A276-S307 CarbonylContact O-C 3.54Å; N305-S307 PolarHBondContact O-N 2.71Å; S307-Y309 VanDerWaalsContact C-N 3.29Å; S307-Y309 PolarHBondContact O-N 3.48Å; S307-L310 PolarHBondContact O-N 2.9Å; S307-M311 WeakPolarHBondContact O-CB 3.25Å; S307-M311 PolarHBondContact O-N 3.45Å
308T97.7Very high98.2Very high70 Ų7034.7 Ų34.743%0.42919%0.194SC..Hα-helixtrans-62.1-36.9176.1-69.60000111.8N305 T306 S312 K367N305-T308 WeakPolarHBondContact O-CB 3.39Å; N305-T308 PolarHBondContact O-N 2.77Å; T306-T308 PolarHBondContact O-N 2.8Å; T308-S312 PolarHBondContact O-N 3.04Å; T308-S312 PolarHBondContact O-OG 2.71Å; T308-K367 VanDerWaalsContact CG2-CE 3.5Å; T308-K367 WeakPolarHBondContact O-CE 2.96Å; T308-K367 PolarHBondContact O-NZ 3.34Å
309Y98.6Very high98.3Very high75 Ų7534.6 Ų34.629%0.29419%0.194SC..Hα-helixtrans-69.1-50.5177-170.1-104.3000111.8I251 D255 N305 T306 S307 M311 S312 L313I251-Y309 HydrophobicContact CB-CD1 4.03Å; I251-Y309 HydrophobicContact CB-CE1 4.26Å; I251-Y309 HydrophobicContact CD1-CG 4.45Å; I251-Y309 HydrophobicContact CG1-CD1 3.75Å; I251-Y309 HydrophobicContact CG1-CE1 4.46Å; I251-Y309 HydrophobicContact CG1-CG 3.98Å; I251-Y309 HydrophobicContact CG2-CD1 3.89Å; I251-Y309 HydrophobicContact CG2-CE1 3.72Å; I251-Y309 HydrophobicContact CG2-CG 4.39Å; D255-Y309 PolarHBondContact OD1-OH 2.78Å; N305-Y309 WeakPolarHBondContact O-CB 3.25Å; N305-Y309 PolarHBondContact O-N 2.83Å; T306-Y309 WeakPolarHBondContact O-CB 3.47Å; T306-Y309 PolarHBondContact O-N 3.41Å; T306-Y309 VanDerWaalsContact O-N 3.13Å; S307-Y309 VanDerWaalsContact C-N 3.29Å; S307-Y309 PolarHBondContact O-N 3.48Å; Y309-M311 VanDerWaalsContact C-N 3.29Å; Y309-M311 PolarHBondContact O-N 2.99Å; Y309-S312 CarbonylContact O-C 3.59Å; Y309-S312 WeakPolarHBondContact O-CA 3.42Å; Y309-S312 VanDerWaalsContact O-CB 3.3Å; Y309-S312 WeakPolarHBondContact O-CB 3.24Å; Y309-S312 PolarHBondContact O-N 3.16Å; Y309-L313 HydrophobicContact CD1-CD1 4.04Å; Y309-L313 HydrophobicContact CD1-CG 4.19Å; Y309-L313 HydrophobicContact CE1-CD1 3.73Å; Y309-L313 HydrophobicContact CE1-CD2 4.16Å; Y309-L313 HydrophobicContact CE1-CG 4.01Å; Y309-L313 PolarHBondContact O-N 3.16Å
310L98.8Very high98.3Very high0 Ų035 Ų350%020%0.196CC..Hα-helixtrans-59.7-39.3177.2-66176.4000111.8V248 H275 T306 S307 S312 L313 L314 L319V248-L310 HydrophobicContact CG1-CD2 4.21Å; H275-L310 HydrophobicContact CB-CD1 3.96Å; T306-L310 HydrophobicContact CG2-CD1 4Å; T306-L310 HydrophobicContact CG2-CG 4.25Å; T306-L310 WeakPolarHBondContact O-CG 3.3Å; T306-L310 PolarHBondContact O-N 3.41Å; S307-L310 PolarHBondContact O-N 2.9Å; L310-S312 VanDerWaalsContact C-N 3.32Å; L310-S312 PolarHBondContact O-N 3.43Å; L310-L313 HydrophobicContact CD2-CD1 4.47Å; L310-L313 PolarHBondContact O-N 2.96Å; L310-L313 VanDerWaalsContact O-N 3.17Å; L310-L314 PolarHBondContact O-N 3.42Å; L310-L319 HydrophobicContact CB-CD1 4.36Å; L310-L319 HydrophobicContact CD2-CD1 3.85Å
311M98.7Very high98.3Very high2 Ų235 Ų351%0.0120%0.196CC..Hα-helixtrans-63.3-36.5173.3-170.366.77300112.2A276 T277 S307 Y309 L314 A315 I358 R361 K367 M368A276-M311 HydrophobicContact CB-CE 4.21Å; T277-M311 HydrophobicContact CG2-CE 3.93Å; S307-M311 WeakPolarHBondContact O-CB 3.25Å; S307-M311 PolarHBondContact O-N 3.45Å; Y309-M311 VanDerWaalsContact C-N 3.29Å; Y309-M311 PolarHBondContact O-N 2.99Å; M311-L314 WeakPolarHBondContact O-CB 3.24Å; M311-L314 PolarHBondContact O-N 3.2Å; M311-L314 HydrophobicContact SD-CD1 4.15Å; M311-A315 WeakPolarHBondContact O-CB 3.26Å; M311-A315 PolarHBondContact O-N 3.14Å; M311-I358 HydrophobicContact CE-CD1 3.76Å; M311-R361 HydrophobicContact CE-CB 3.76Å; M311-K367 HydrophobicContact CB-CD 3.68Å; M311-K367 HydrophobicContact CG-CB 4.1Å; M311-K367 HydrophobicContact CG-CD 3.35Å; M311-K367 HydrophobicContact CG-CG 4.36Å; M311-M368 HydrophobicContact CG-CE 4.36Å; M311-M368 HydrophobicContact SD-CE 3.48Å; M311-M368 WeakPolarHBondContact SD-CE 3.42Å
312S98.6Very high98.3Very high43 Ų4334.7 Ų34.730%0.30120%0.195SC..Hα-helixtrans-67.1-36.8172.6-55.80000112.1T308 Y309 L310 L314 A315 N316 K367T308-S312 PolarHBondContact O-N 3.04Å; T308-S312 PolarHBondContact O-OG 2.71Å; Y309-S312 CarbonylContact O-C 3.59Å; Y309-S312 WeakPolarHBondContact O-CA 3.42Å; Y309-S312 VanDerWaalsContact O-CB 3.3Å; Y309-S312 WeakPolarHBondContact O-CB 3.24Å; Y309-S312 PolarHBondContact O-N 3.16Å; L310-S312 VanDerWaalsContact C-N 3.32Å; L310-S312 PolarHBondContact O-N 3.43Å; S312-L314 VanDerWaalsContact C-N 3.35Å; S312-A315 WeakPolarHBondContact O-CB 3.28Å; S312-A315 PolarHBondContact O-N 2.93Å; S312-N316 VanDerWaalsContact O-CG 3.27Å; S312-N316 PolarHBondContact O-N 2.65Å; S312-N316 PolarHBondContact O-ND2 2.52Å; S312-K367 PolarHBondContact OG-NZ 3.13Å
313L98.7Very high98.3Very high6 Ų632.2 Ų32.23%0.03118%0.182CC..Hα-helixtrans-68.2-33.9174.2-61.9-172.3000112.3Y309 L310 N316 D317 T318 L319Y309-L313 HydrophobicContact CD1-CD1 4.04Å; Y309-L313 HydrophobicContact CD1-CG 4.19Å; Y309-L313 HydrophobicContact CE1-CD1 3.73Å; Y309-L313 HydrophobicContact CE1-CD2 4.16Å; Y309-L313 HydrophobicContact CE1-CG 4.01Å; Y309-L313 PolarHBondContact O-N 3.16Å; L310-L313 HydrophobicContact CD2-CD1 4.47Å; L310-L313 PolarHBondContact O-N 2.96Å; L310-L313 VanDerWaalsContact O-N 3.17Å; L313-N316 WeakPolarHBondContact CA-OD1 3.33Å; L313-N316 PolarHBondContact O-OD1 2.82Å; L313-D317 PolarHBondContact O-N 2.78Å; L313-T318 HydrophobicContact CB-CG2 4.44Å; L313-T318 HydrophobicContact CD1-CG2 4.33Å; L313-T318 HydrophobicContact CD2-CG2 4.07Å; L313-T318 PolarHBondContact O-N 2.95Å; L313-L319 HydrophobicContact CB-CB 4.29Å; L313-L319 HydrophobicContact CB-CD1 3.85Å; L313-L319 HydrophobicContact CB-CG 3.69Å; L313-L319 HydrophobicContact CD1-CD1 4.23Å; L313-L319 HydrophobicContact CD1-CG 4.24Å; L313-L319 PolarHBondContact O-N 3.34Å
314L98.7Very high98.4Very high0 Ų029.2 Ų29.20%017%0.166CC..Hα-helixtrans-63.6-45.2168.9-79.1171.1000110.9T271 A276 L310 M311 S312 N316 D317 L319 V322 M368 R372 V376T271-L314 HydrophobicContact CG2-CD1 3.62Å; T271-L314 HydrophobicContact CG2-CD2 4.08Å; T271-L314 HydrophobicContact CG2-CG 3.88Å; A276-L314 HydrophobicContact CB-CD1 4.2Å; L310-L314 PolarHBondContact O-N 3.42Å; M311-L314 WeakPolarHBondContact O-CB 3.24Å; M311-L314 PolarHBondContact O-N 3.2Å; M311-L314 HydrophobicContact SD-CD1 4.15Å; S312-L314 VanDerWaalsContact C-N 3.35Å; L314-N316 VanDerWaalsContact C-N 3.33Å; L314-N316 PolarHBondContact O-N 3.17Å; L314-D317 PolarHBondContact O-N 3.45Å; L314-L319 HydrophobicContact CD2-CB 3.78Å; L314-L319 HydrophobicContact CG-CB 4.05Å; L314-V322 HydrophobicContact CD1-CB 4.27Å; L314-V322 HydrophobicContact CD2-CB 4.48Å; L314-M368 HydrophobicContact CB-CE 4.01Å; L314-R372 PolarHBondContact O-NE 3.42Å; L314-R372 PolarHBondContact O-NH2 2.87Å; L314-V376 HydrophobicContact CD2-CB 4.31Å; L314-V376 HydrophobicContact CD2-CG1 4.16Å
315A98.6Very high98.4Very high28 Ų2826.2 Ų26.223%0.23115%0.147CC..Hα-helixtrans-62.6-37.4179.700000113M311 S312 K367 M368M311-A315 WeakPolarHBondContact O-CB 3.26Å; M311-A315 PolarHBondContact O-N 3.14Å; S312-A315 WeakPolarHBondContact O-CB 3.28Å; S312-A315 PolarHBondContact O-N 2.93Å; A315-K367 WeakPolarHBondContact CB-O 3.31Å; A315-M368 HydrophobicContact CB-CB 3.99Å; A315-M368 HydrophobicContact CB-CE 4.46Å
316N98Very high98.4Very high94 Ų9421.5 Ų21.550%0.50312%0.122SC..THydrogen-bonded Turntrans-93.77.5-176.776.519.3000115.3S312 L313 L314 T318S312-N316 VanDerWaalsContact O-CG 3.27Å; S312-N316 PolarHBondContact O-N 2.65Å; S312-N316 PolarHBondContact O-ND2 2.52Å; L313-N316 WeakPolarHBondContact CA-OD1 3.33Å; L313-N316 PolarHBondContact O-OD1 2.82Å; L314-N316 VanDerWaalsContact C-N 3.33Å; L314-N316 PolarHBondContact O-N 3.17Å; N316-T318 VanDerWaalsContact C-N 3.28Å; N316-T318 PolarHBondContact O-N 2.7Å; N316-T318 WeakPolarHBondContact OD1-CB 3.2Å; N316-T318 PolarHBondContact OD1-N 3.22Å; N316-T318 PolarHBondContact OD1-OG1 3.36Å
317D97.8Very high98.4Very high70 Ų7022.1 Ų22.137%0.37412%0.124SC..THydrogen-bonded Turntrans68.114-179.7-155.153.8000117K261 L313 L314 N320 R372K261-D317 PolarHBondContact NZ-O 2.95Å; L313-D317 PolarHBondContact O-N 2.78Å; L314-D317 PolarHBondContact O-N 3.45Å; D317-N320 VanDerWaalsContact CG-ND2 3.3Å; D317-N320 PolarHBondContact O-ND2 3.15Å; D317-N320 PolarHBondContact OD1-ND2 3.25Å; D317-N320 PolarHBondContact OD2-ND2 3.17Å; D317-R372 IonicContact OD1-CZ 2.99Å; D317-R372 IonicContact OD1-NH1 3.82Å; D317-R372 PolarHBondContact OD1-NH1 2.78Å; D317-R372 IonicContact OD1-NH2 3.89Å; D317-R372 PolarHBondContact OD1-NH2 3.45Å
318T98.4Very high98.4Very high20 Ų2021.7 Ų21.712%0.12312%0.12CC..SBendtrans-70.6-40.6165.8-59.40000111.3I257 A258 K261 L313 N316I257-T318 HydrophobicContact CG2-CG2 4.09Å; A258-T318 HydrophobicContact CB-CG2 3.86Å; K261-T318 WeakPolarHBondContact CE-O 3.3Å; K261-T318 PolarHBondContact NZ-O 3.09Å; L313-T318 HydrophobicContact CB-CG2 4.44Å; L313-T318 HydrophobicContact CD1-CG2 4.33Å; L313-T318 HydrophobicContact CD2-CG2 4.07Å; L313-T318 PolarHBondContact O-N 2.95Å; N316-T318 VanDerWaalsContact C-N 3.28Å; N316-T318 PolarHBondContact O-N 2.7Å; N316-T318 WeakPolarHBondContact OD1-CB 3.2Å; N316-T318 PolarHBondContact OD1-N 3.22Å; N316-T318 PolarHBondContact OD1-OG1 3.36Å
319L98.7Very high98.4Very high0 Ų018.9 Ų18.90%010%0.103CC..SBendtrans-103.6139.8162.4-59178.8000108V248 I257 A269 T271 L310 L313 L314 R372V248-L319 HydrophobicContact CB-CD2 4.23Å; V248-L319 HydrophobicContact CG1-CD2 4.21Å; V248-L319 HydrophobicContact CG2-CD2 4.25Å; I257-L319 HydrophobicContact CD1-CD2 4.2Å; A269-L319 HydrophobicContact CB-CD2 3.44Å; A269-L319 VanDerWaalsContact CB-CD2 3.44Å; T271-L319 HydrophobicContact CG2-CD1 3.96Å; L310-L319 HydrophobicContact CB-CD1 4.36Å; L310-L319 HydrophobicContact CD2-CD1 3.85Å; L313-L319 HydrophobicContact CB-CB 4.29Å; L313-L319 HydrophobicContact CB-CD1 3.85Å; L313-L319 HydrophobicContact CB-CG 3.69Å; L313-L319 HydrophobicContact CD1-CD1 4.23Å; L313-L319 HydrophobicContact CD1-CG 4.24Å; L313-L319 PolarHBondContact O-N 3.34Å; L314-L319 HydrophobicContact CD2-CB 3.78Å; L314-L319 HydrophobicContact CG-CB 4.05Å; L319-R372 PolarHBondContact O-NH2 2.9Å
320N98.5Very high98.3Very high9 Ų917 Ų175%0.04810%0.098CC..  trans-108.1-32.1-165.1-61.5106.5000113.4K261 A269 D317 V376 N380K261-N320 PolarHBondContact NZ-OD1 3.37Å; A269-N320 PolarHBondContact N-OD1 3.46Å; A269-N320 PolarHBondContact O-N 3.43Å; D317-N320 VanDerWaalsContact CG-ND2 3.3Å; D317-N320 PolarHBondContact O-ND2 3.15Å; D317-N320 PolarHBondContact OD1-ND2 3.25Å; D317-N320 PolarHBondContact OD2-ND2 3.17Å; N320-V376 WeakPolarHBondContact O-CA 3.24Å; N320-N380 WeakPolarHBondContact O-CB 3.5Å; N320-N380 PolarHBondContact O-ND2 2.78Å
321I98.8Very high98.3Very high0 Ų018.8 Ų18.80%011%0.11CC..EExtended strand (participates in β ladder)trans-136.3145.5-171.6-64.8163.5000109.1T65 Y244 A269 E270 T271 V376 N380 A381 L384T65-I321 HydrophobicContact CG2-CD1 4.47Å; T65-I321 HydrophobicContact CG2-CG2 4.04Å; T65-I321 VanDerWaalsContact OG1-CG2 3.26Å; T65-I321 WeakPolarHBondContact OG1-CG2 3.22Å; Y244-I321 HydrophobicContact CE2-CD1 4.04Å; Y244-I321 VanDerWaalsContact OH-CD1 3.28Å; Y244-I321 WeakPolarHBondContact OH-CD1 3.15Å; A269-I321 PolarHBondContact O-N 3.49Å; E270-I321 VanDerWaalsContact CA-O 3.28Å; E270-I321 WeakPolarHBondContact CA-O 3.46Å; E270-I321 HydrophobicContact CB-CB 4.38Å; E270-I321 HydrophobicContact CG-CB 4.45Å; E270-I321 HydrophobicContact CG-CG2 4.35Å; T271-I321 PolarHBondContact N-O 3.12Å; I321-V376 WeakPolarHBondContact CA-O 3.24Å; I321-N380 HydrophobicContact CD1-CB 4.39Å; I321-N380 HydrophobicContact CG1-CB 3.8Å; I321-A381 HydrophobicContact CD1-CB 4.05Å; I321-A381 HydrophobicContact CG1-CB 4.38Å; I321-A381 HydrophobicContact CG2-CB 4.45Å; I321-L384 HydrophobicContact CD1-CB 4.34Å; I321-L384 HydrophobicContact CD1-CD2 3.71Å
322V98.8Very high98.3Very high0 Ų027.3 Ų27.30%015%0.147CC..EExtended strand (participates in β ladder)trans-113.7118.6168.362.60000110.6T271 L314 R354 I358 V376 T377T271-V322 WeakPolarHBondContact O-CA 3.47Å; L314-V322 HydrophobicContact CD1-CB 4.27Å; L314-V322 HydrophobicContact CD2-CB 4.48Å; V322-R354 PolarHBondContact O-NH1 2.93Å; V322-I358 HydrophobicContact CG1-CG1 4.04Å; V322-I358 HydrophobicContact CG1-CG2 4.34Å; V322-I358 HydrophobicContact CG2-CD1 3.76Å; V322-I358 HydrophobicContact CG2-CG1 3.91Å; V322-V376 HydrophobicContact CG1-CB 4.49Å; V322-V376 HydrophobicContact CG1-CG2 4.17Å; V322-V376 PolarHBondContact N-O 2.74Å; V322-T377 HydrophobicContact CG1-CG2 4.05Å
323A98.7Very high98.2Very high0 Ų027.2 Ų27.20%014%0.142CC..EExtended strand (participates in β ladder)trans-101.1167.9175.500000111.4E270 T271 T272 T273E270-A323 HydrophobicContact CG-CB 3.88Å; E270-A323 WeakPolarHBondContact OE1-CB 3.41Å; T271-A323 PolarHBondContact O-N 2.79Å; T271-A323 VanDerWaalsContact O-N 3.08Å; T272-A323 CarbonylContact C-O 3.54Å; T272-A323 VanDerWaalsContact CA-O 3.3Å; T272-A323 WeakPolarHBondContact CA-O 3.47Å; T273-A323 PolarHBondContact N-O 3.45Å; T273-A323 PolarHBondContact OG1-O 3.09Å; T273-A323 VanDerWaalsContact OG1-O 3.12Å
324S98.5Very high98.2Very high3 Ų327.2 Ų27.22%0.02114%0.141CC..  trans-86.3-28167.460.70000113D64 H326D64-S324 VanDerWaalsContact CG-OG 3.25Å; D64-S324 PolarHBondContact OD1-N 2.52Å; D64-S324 PolarHBondContact OD1-OG 2.78Å; D64-S324 WeakPolarHBondContact OD2-CB 3.1Å; D64-S324 PolarHBondContact OD2-N 2.97Å; D64-S324 PolarHBondContact OD2-OG 2.78Å; S324-H326 PolarHBondContact O-N 3.18Å; S324-H326 WeakPolarHBondContact OG-CB 3.45Å; S324-H326 PolarHBondContact OG-N 2.9Å
325D97.8Very high98.2Very high15 Ų1528.9 Ų28.98%0.0816%0.155CC..  trans49.441-165.5-164.814.3000111.2S66 H68 T272 R327S66-D325 VanDerWaalsContact O-CA 3.27Å; S66-D325 WeakPolarHBondContact O-CA 3.39Å; S66-D325 PolarHBondContact O-N 2.89Å; S66-D325 VanDerWaalsContact O-N 3.12Å; H68-D325 IonicContact CD2-OD1 2.87Å; H68-D325 PolarHBondContact CD2-OD1 3.12Å; H68-D325 IonicContact NE2-OD1 3.85Å; H68-D325 PolarHBondContact NE2-OD1 2.85Å; T272-D325 HydrophobicContact CG2-CB 3.66Å; D325-R327 PolarHBondContact O-N 3.25Å; D325-R327 VanDerWaalsContact O-N 3.14Å
326H98.4Very high98.2Very high0 Ų031.6 Ų31.60%016%0.164CC..BIsolated β-bridgetrans-67.9115.3-166.6-179.386.9000111.8S66 T67 H68 F69 D80 S324 P328 S349 G350 V351S66-H326 PolarHBondContact O-N 3.38Å; T67-H326 HydrophobicContact CG2-CB 4.44Å; H68-H326 WeakPolarHBondContact CB-O 3.27Å; H68-H326 PolarHBondContact N-O 2.92Å; F69-H326 AromaticContact CE1-CD2 3.47Å; F69-H326 VanDerWaalsContact CE1-CD2 3.47Å; F69-H326 WeakPolarHBondContact CE1-CD2 3.36Å; D80-H326 IonicContact OD2-CE1 3.35Å; D80-H326 IonicContact OD2-NE2 3.71Å; D80-H326 PolarHBondContact OD2-NE2 3.13Å; S324-H326 PolarHBondContact O-N 3.18Å; S324-H326 WeakPolarHBondContact OG-CB 3.45Å; S324-H326 PolarHBondContact OG-N 2.9Å; H326-P328 VanDerWaalsContact CD2-CD 3.43Å; H326-P328 WeakPolarHBondContact CD2-CD 3.24Å; H326-P328 VanDerWaalsContact NE2-CD 3.28Å; H326-P328 WeakPolarHBondContact NE2-CD 3.26Å; H326-P328 VanDerWaalsContact NE2-CG 3.33Å; H326-P328 WeakPolarHBondContact NE2-CG 3.44Å; H326-S349 WeakPolarHBondContact ND1-CA 3.27Å; H326-G350 PolarHBondContact ND1-N 3.17Å; H326-V351 HydrophobicContact CB-CB 3.84Å; H326-V351 HydrophobicContact CB-CG1 4.49Å; H326-V351 PolarHBondContact ND1-N 3.26Å
327R97.8Very high98.2Very high17 Ų1727.1 Ų27.16%0.06414%0.14CC..  trans-147.274.2-179.6-167.4-174.6-70.2-178.15.9110.2H68 F73 C78 D325 F329 H346 G347 V348H68-R327 HydrophobicContact CB-CB 3.9Å; H68-R327 HydrophobicContact CB-CG 3.78Å; H68-R327 PolarHBondContact CD2-NH2 3.37Å; H68-R327 PolarHBondContact CE1-NH2 3.5Å; H68-R327 VanDerWaalsContact CG-NE 3.29Å; H68-R327 PolarHBondContact ND1-NH2 2.95Å; H68-R327 VanDerWaalsContact ND1-NH2 3.15Å; H68-R327 PolarHBondContact NE2-NH2 3.27Å; F73-R327 VanDerWaalsContact CG-NH1 3.29Å; C78-R327 WeakPolarHBondContact SG-CG 3.1Å; D325-R327 PolarHBondContact O-N 3.25Å; D325-R327 VanDerWaalsContact O-N 3.14Å; R327-F329 HydrophobicContact CG-CE2 3.73Å; R327-F329 HydrophobicContact CG-CZ 3.9Å; R327-F329 WeakPolarHBondContact O-CD2 3.44Å; R327-H346 VanDerWaalsContact CD-O 3.27Å; R327-H346 WeakPolarHBondContact CD-O 3.43Å; R327-G347 CarbonylContact O-C 3.6Å; R327-G347 WeakPolarHBondContact O-CA 3.4Å; R327-V348 CarbonylContact C-O 3.6Å; R327-V348 PolarHBondContact N-O 3.35Å; R327-V348 PolarHBondContact O-N 3.41Å
328P97.4Very high98.2Very high3 Ų329.7 Ų29.72%0.01915%0.148CC..  trans-76.7134.7-170.131.1-36.2000111.5C78 V79 D80 H326 G421C78-P328 WeakPolarHBondContact CA-O 3.48Å; V79-P328 HydrophobicContact CB-CB 4.49Å; V79-P328 HydrophobicContact CB-CG 4.28Å; V79-P328 PolarHBondContact N-O 2.69Å; D80-P328 HydrophobicContact CB-CG 3.92Å; H326-P328 VanDerWaalsContact CD2-CD 3.43Å; H326-P328 WeakPolarHBondContact CD2-CD 3.24Å; H326-P328 VanDerWaalsContact NE2-CD 3.28Å; H326-P328 WeakPolarHBondContact NE2-CD 3.26Å; H326-P328 VanDerWaalsContact NE2-CG 3.33Å; H326-P328 WeakPolarHBondContact NE2-CG 3.44Å; P328-G421 WeakPolarHBondContact CB-O 3.25Å
329F97.8Very high98.1Very high12 Ų1235.1 Ų35.15%0.05317%0.172CC..  trans-124.1142.7168.8-62.9-71.8000109.2F73 A76 R327 Q333 K334 P345 H346F73-F329 HydrophobicContact CB-CZ 4.46Å; A76-F329 HydrophobicContact CB-CD1 3.76Å; A76-F329 HydrophobicContact CB-CE1 3.6Å; R327-F329 HydrophobicContact CG-CE2 3.73Å; R327-F329 HydrophobicContact CG-CZ 3.9Å; R327-F329 WeakPolarHBondContact O-CD2 3.44Å; F329-Q333 HydrophobicContact CB-CB 4.1Å; F329-Q333 HydrophobicContact CD1-CB 4.42Å; F329-K334 HydrophobicContact CB-CD 4.4Å; F329-K334 HydrophobicContact CB-CG 4.27Å; F329-P345 HydrophobicContact CB-CG 4.31Å; F329-P345 HydrophobicContact CD1-CB 4.1Å; F329-P345 HydrophobicContact CD1-CG 4.2Å; F329-P345 HydrophobicContact CD2-CB 3.84Å; F329-P345 HydrophobicContact CD2-CG 4.14Å; F329-P345 HydrophobicContact CE1-CB 4.04Å; F329-P345 HydrophobicContact CE2-CB 3.77Å; F329-P345 HydrophobicContact CG-CB 4Å; F329-P345 HydrophobicContact CG-CG 3.95Å; F329-P345 HydrophobicContact CZ-CB 3.87Å; F329-H346 WeakPolarHBondContact CE2-O 3.47Å
330T97.8Very high98.1Very high34 Ų3436.1 Ų36.121%0.20918%0.177CC..  trans-67.8159.7170.958.20000111.3V79 K332 Q333 K334 D423V79-T330 HydrophobicContact CG2-CG2 3.66Å; T330-K332 PolarHBondContact O-N 2.92Å; T330-Q333 WeakPolarHBondContact O-CB 3.46Å; T330-Q333 PolarHBondContact O-N 3.32Å; T330-Q333 WeakPolarHBondContact OG1-CG 3.34Å; T330-Q333 PolarHBondContact OG1-N 3.19Å; T330-Q333 PolarHBondContact OG1-OE1 2.74Å; T330-Q333 VanDerWaalsContact OG1-OE1 3.07Å; T330-K334 PolarHBondContact O-N 3.49Å; T330-D423 WeakPolarHBondContact CA-OD1 3.48Å
331T97.7Very high98.1Very high39 Ų3935.8 Ų35.824%0.23918%0.175CC..Hα-helixtrans-54.7-38.4172.1-58.20000111Q333 K334 A335 D423T331-Q333 PolarHBondContact O-N 3.45Å; T331-K334 PolarHBondContact O-N 3.24Å; T331-A335 WeakPolarHBondContact O-CB 3.38Å; T331-A335 PolarHBondContact O-N 3.26Å; T331-D423 WeakPolarHBondContact CB-OD2 3.3Å; T331-D423 PolarHBondContact N-OD1 3.12Å; T331-D423 PolarHBondContact N-OD2 3.42Å; T331-D423 PolarHBondContact OG1-OD1 2.84Å; T331-D423 PolarHBondContact OG1-OD2 3.45Å
332K97.8Very high98Very high180 Ų18037.8 Ų37.878%0.78319%0.188SC*.Hα-helixtrans-61.7-40.2174.6-177.5179.2177.1-178.20113T330T330-K332 PolarHBondContact O-N 2.92Å
333Q98.1Very high98Very high42 Ų4243.4 Ų43.420%0.19621%0.212CC..Hα-helixtrans-72.5-41.2176.4-72.4167.4-51.100111.2A76 T77 F329 T330 T331 A335 M336 P345A76-Q333 HydrophobicContact CB-CB 4.34Å; A76-Q333 HydrophobicContact CB-CG 4.45Å; T77-Q333 PolarHBondContact O-NE2 3.06Å; F329-Q333 HydrophobicContact CB-CB 4.1Å; F329-Q333 HydrophobicContact CD1-CB 4.42Å; T330-Q333 WeakPolarHBondContact O-CB 3.46Å; T330-Q333 PolarHBondContact O-N 3.32Å; T330-Q333 WeakPolarHBondContact OG1-CG 3.34Å; T330-Q333 PolarHBondContact OG1-N 3.19Å; T330-Q333 PolarHBondContact OG1-OE1 2.74Å; T330-Q333 VanDerWaalsContact OG1-OE1 3.07Å; T331-Q333 PolarHBondContact O-N 3.45Å; Q333-A335 PolarHBondContact O-N 2.68Å; Q333-M336 VanDerWaalsContact O-CB 3.31Å; Q333-M336 WeakPolarHBondContact O-CB 3.41Å; Q333-M336 WeakPolarHBondContact O-CG 3.49Å; Q333-M336 PolarHBondContact O-N 2.59Å; Q333-M336 VanDerWaalsContact O-N 3.15Å; Q333-P345 WeakPolarHBondContact O-CD 3.48Å
334K98.4Very high98Very high6 Ų643.4 Ų43.43%0.02621%0.212CC..Hα-helixtrans-55.6-41.7173.6-70.7-72.7-169.61750111.2W288 A292 V295 F329 T330 T331 M336 G337 I344 P345 G347W288-K334 WeakPolarHBondContact CH2-O 3.25Å; A292-K334 HydrophobicContact CB-CB 4.33Å; A292-K334 WeakPolarHBondContact O-CD 3.5Å; A292-K334 WeakPolarHBondContact O-CE 3.46Å; V295-K334 PolarHBondContact O-NZ 3.01Å; F329-K334 HydrophobicContact CB-CD 4.4Å; F329-K334 HydrophobicContact CB-CG 4.27Å; T330-K334 PolarHBondContact O-N 3.49Å; T331-K334 PolarHBondContact O-N 3.24Å; K334-M336 PolarHBondContact O-N 3.07Å; K334-G337 PolarHBondContact O-N 3.27Å; K334-G337 VanDerWaalsContact O-N 3.13Å; K334-I344 HydrophobicContact CB-CG2 4.37Å; K334-I344 HydrophobicContact CD-CG2 3.5Å; K334-P345 HydrophobicContact CD-CG 4.28Å; K334-P345 PolarHBondContact NZ-O 2.97Å; K334-G347 WeakPolarHBondContact CE-O 3.26Å; K334-G347 PolarHBondContact NZ-O 3.08Å
335A98.2Very high97.9Very high35 Ų3543.2 Ų43.229%0.28921%0.211SC..G310 helixtrans-60-6.4178.800000115.8W288 T331 Q333 G337 K338W288-A335 VanDerWaalsContact CH2-CA 3.49Å; W288-A335 HydrophobicContact CH2-CB 4.38Å; W288-A335 HydrophobicContact CZ3-CB 4.13Å; T331-A335 WeakPolarHBondContact O-CB 3.38Å; T331-A335 PolarHBondContact O-N 3.26Å; Q333-A335 PolarHBondContact O-N 2.68Å; A335-G337 PolarHBondContact O-N 3.37Å; A335-K338 WeakPolarHBondContact O-CB 3.36Å; A335-K338 WeakPolarHBondContact O-CG 3.46Å; A335-K338 PolarHBondContact O-N 3.03Å
336M97.9Very high97.9Very high84 Ų8442.8 Ų42.841%0.41421%0.209SC..G310 helixtrans-57.6-26.6167.4-70170.156.600112.7N75 A76 Q333 K334N75-M336 HydrophobicContact CB-CE 3.79Å; A76-M336 HydrophobicContact CB-SD 4.14Å; Q333-M336 VanDerWaalsContact O-CB 3.31Å; Q333-M336 WeakPolarHBondContact O-CB 3.41Å; Q333-M336 WeakPolarHBondContact O-CG 3.49Å; Q333-M336 PolarHBondContact O-N 2.59Å; Q333-M336 VanDerWaalsContact O-N 3.15Å; K334-M336 PolarHBondContact O-N 3.07Å
337G98Very high97.8Very high0 Ų043 Ų430%021%0.211CC..G310 helixtrans-106.425.6176.100000115.4K334 A335 E339 D340K334-G337 PolarHBondContact O-N 3.27Å; K334-G337 VanDerWaalsContact O-N 3.13Å; A335-G337 PolarHBondContact O-N 3.37Å; G337-E339 PolarHBondContact O-N 3.49Å; G337-D340 CarbonylContact C-O 3.45Å; G337-D340 WeakPolarHBondContact CA-O 3.35Å; G337-D340 CarbonylContact O-C 3.6Å; G337-D340 PolarHBondContact O-N 3.42Å; G337-D340 VanDerWaalsContact O-N 3.08Å; G337-D340 VanDerWaalsContact O-O 3.06Å
338K97.8Very high97.8Very high125 Ų12542.6 Ų42.654%0.54321%0.21SC..THydrogen-bonded Turntrans-58.7-27-178.568.8176.5-172.4164.80115.4W288 A335W288-K338 HydrophobicContact CH2-CB 4.28Å; W288-K338 HydrophobicContact CZ2-CB 4.05Å; A335-K338 WeakPolarHBondContact O-CB 3.36Å; A335-K338 WeakPolarHBondContact O-CG 3.46Å; A335-K338 PolarHBondContact O-N 3.03Å
339E97.9Very high97.8Very high133 Ų13342.9 Ų42.962%0.62121%0.212SC*.THydrogen-bonded Turntrans-108.50.8177.2-50-55.7151.100112.5T211 G337T211-E339 VanDerWaalsContact CB-O 3.27Å; T211-E339 WeakPolarHBondContact CB-O 3.38Å; T211-E339 WeakPolarHBondContact CG2-O 3.33Å; G337-E339 PolarHBondContact O-N 3.49Å
340D98.3Very high97.8Very high22 Ų2242.3 Ų42.312%0.11821%0.21CC..  trans-164.2101.8-171.5-179.9-10.6000109.2G337 T342 K343G337-D340 CarbonylContact C-O 3.45Å; G337-D340 WeakPolarHBondContact CA-O 3.35Å; G337-D340 CarbonylContact O-C 3.6Å; G337-D340 PolarHBondContact O-N 3.42Å; G337-D340 VanDerWaalsContact O-N 3.08Å; G337-D340 VanDerWaalsContact O-O 3.06Å; D340-T342 VanDerWaalsContact CG-OG1 3.28Å; D340-T342 PolarHBondContact O-N 2.99Å; D340-T342 VanDerWaalsContact OD1-CB 3.31Å; D340-T342 WeakPolarHBondContact OD1-CB 3.16Å; D340-T342 WeakPolarHBondContact OD1-CG2 3.43Å; D340-T342 PolarHBondContact OD1-N 3.12Å; D340-T342 PolarHBondContact OD1-OG1 2.7Å; D340-T342 PolarHBondContact OD2-OG1 2.92Å; D340-K343 HydrophobicContact CB-CD 4.24Å; D340-K343 HydrophobicContact CB-CG 4.32Å; D340-K343 WeakPolarHBondContact O-CB 3.4Å; D340-K343 PolarHBondContact O-N 3.47Å; D340-K343 WeakPolarHBondContact OD2-CE 3.49Å; D340-K343 IonicContact OD2-NZ 2.93Å; D340-K343 PolarHBondContact OD2-NZ 3.35Å
341F98.5Very high97.8Very high1 Ų140.7 Ų40.70%0.00420%0.2CC..G310 helixtrans-57.4-25.2-176.973.9-92.2000113.5A202 A205 L206 I210 T211 G212 G215 I216 S219 K343 I344A202-F341 HydrophobicContact CB-CZ 4.27Å; A205-F341 HydrophobicContact CB-CE1 3.98Å; A205-F341 HydrophobicContact CB-CZ 4.04Å; L206-F341 HydrophobicContact CD2-CD1 4.09Å; L206-F341 HydrophobicContact CD2-CE1 3.88Å; L206-F341 HydrophobicContact CG-CE1 3.99Å; I210-F341 WeakPolarHBondContact O-CD1 3.47Å; I210-F341 WeakPolarHBondContact O-CE1 3.25Å; T211-F341 PolarHBondContact O-N 3.24Å; G212-F341 VanDerWaalsContact O-CB 3.24Å; G212-F341 WeakPolarHBondContact O-CB 3.24Å; G215-F341 VanDerWaalsContact O-CE2 3.27Å; G215-F341 WeakPolarHBondContact O-CE2 3.21Å; G215-F341 WeakPolarHBondContact O-CZ 3.29Å; I216-F341 HydrophobicContact CB-CD2 4.38Å; I216-F341 HydrophobicContact CD1-CD2 4.36Å; S219-F341 WeakPolarHBondContact OG-CE2 3.12Å; F341-K343 PolarHBondContact O-N 2.79Å; F341-I344 HydrophobicContact CB-CD1 4.13Å; F341-I344 WeakPolarHBondContact O-CB 2.96Å; F341-I344 PolarHBondContact O-N 2.79Å; F341-I344 VanDerWaalsContact O-N 3.12Å
342T97.5Very high97.8Very high43 Ų4339.6 Ų39.626%0.26419%0.192SC..G310 helixtrans-68.6-15.1178.374.70000112.7M74 A202 L206 D340M74-T342 WeakPolarHBondContact CE-O 3.26Å; A202-T342 HydrophobicContact CB-CG2 4.04Å; L206-T342 HydrophobicContact CD1-CG2 3.9Å; D340-T342 VanDerWaalsContact CG-OG1 3.28Å; D340-T342 PolarHBondContact O-N 2.99Å; D340-T342 VanDerWaalsContact OD1-CB 3.31Å; D340-T342 WeakPolarHBondContact OD1-CB 3.16Å; D340-T342 WeakPolarHBondContact OD1-CG2 3.43Å; D340-T342 PolarHBondContact OD1-N 3.12Å; D340-T342 PolarHBondContact OD1-OG1 2.7Å; D340-T342 PolarHBondContact OD2-OG1 2.92Å
343K98Very high97.9Very high117 Ų11731.1 Ų31.151%0.50916%0.156SC..G310 helixtrans-98.9-0.7176.5-63.3-177.1179.5108.80113.2D340 F341 P345D340-K343 HydrophobicContact CB-CD 4.24Å; D340-K343 HydrophobicContact CB-CG 4.32Å; D340-K343 WeakPolarHBondContact O-CB 3.4Å; D340-K343 PolarHBondContact O-N 3.47Å; D340-K343 WeakPolarHBondContact OD2-CE 3.49Å; D340-K343 IonicContact OD2-NZ 2.93Å; D340-K343 PolarHBondContact OD2-NZ 3.35Å; F341-K343 PolarHBondContact O-N 2.79Å; K343-P345 WeakPolarHBondContact O-CD 3.33Å
344I98.3Very high97.9Very high0 Ų029.1 Ų29.10%015%0.146CC..SBendtrans-73.4119.8172.6-58173.4000107.6M74 P213 W288 A292 V295 K334 F341 H346M74-I344 WeakPolarHBondContact CE-O 3.31Å; P213-I344 HydrophobicContact CB-CD1 4.33Å; P213-I344 HydrophobicContact CG-CD1 4.03Å; W288-I344 HydrophobicContact CH2-CD1 4.43Å; W288-I344 HydrophobicContact CH2-CG1 4.48Å; W288-I344 HydrophobicContact CZ2-CD1 3.73Å; W288-I344 HydrophobicContact CZ2-CG1 4.04Å; A292-I344 HydrophobicContact CB-CD1 4.19Å; V295-I344 HydrophobicContact CB-CG2 3.92Å; V295-I344 HydrophobicContact CG1-CB 4.23Å; V295-I344 HydrophobicContact CG1-CG2 3.89Å; V295-I344 HydrophobicContact CG2-CD1 4.14Å; V295-I344 HydrophobicContact CG2-CG2 4.15Å; K334-I344 HydrophobicContact CB-CG2 4.37Å; K334-I344 HydrophobicContact CD-CG2 3.5Å; F341-I344 HydrophobicContact CB-CD1 4.13Å; F341-I344 WeakPolarHBondContact O-CB 2.96Å; F341-I344 PolarHBondContact O-N 2.79Å; F341-I344 VanDerWaalsContact O-N 3.12Å; I344-H346 PolarHBondContact O-CD2 2.75Å; I344-H346 VanDerWaalsContact O-CD2 3.24Å; I344-H346 PolarHBondContact O-N 2.75Å; I344-H346 VanDerWaalsContact O-N 3.14Å
345P97.7Very high97.9Very high0 Ų028.9 Ų28.90%015%0.145CC..PPolyproline II helixtrans-59.8121.3177.723.7-34.2000110.7M74 A76 F329 Q333 K334 K343M74-P345 HydrophobicContact CB-CB 4.4Å; A76-P345 HydrophobicContact CB-CB 4.01Å; A76-P345 HydrophobicContact CB-CG 4.12Å; F329-P345 HydrophobicContact CB-CG 4.31Å; F329-P345 HydrophobicContact CD1-CB 4.1Å; F329-P345 HydrophobicContact CD1-CG 4.2Å; F329-P345 HydrophobicContact CD2-CB 3.84Å; F329-P345 HydrophobicContact CD2-CG 4.14Å; F329-P345 HydrophobicContact CE1-CB 4.04Å; F329-P345 HydrophobicContact CE2-CB 3.77Å; F329-P345 HydrophobicContact CG-CB 4Å; F329-P345 HydrophobicContact CG-CG 3.95Å; F329-P345 HydrophobicContact CZ-CB 3.87Å; Q333-P345 WeakPolarHBondContact O-CD 3.48Å; K334-P345 HydrophobicContact CD-CG 4.28Å; K334-P345 PolarHBondContact NZ-O 2.97Å; K343-P345 WeakPolarHBondContact O-CD 3.33Å
346H97.4Very high97.9Very high6 Ų627.2 Ų27.23%0.02813%0.131CC..PPolyproline II helixtrans-74.8128.9-178.4-43.4142.2000111F73 M74 Y163 V297 R327 F329 I344F73-H346 HydrophobicContact CE1-CB 3.99Å; F73-H346 AromaticContact CE1-ND1 3.97Å; M74-H346 HydrophobicContact SD-CB 4.41Å; M74-H346 PolarHBondContact SD-CE1 3.34Å; M74-H346 PolarHBondContact SD-ND1 2.92Å; M74-H346 VanDerWaalsContact SD-ND1 3.42Å; Y163-H346 AromaticContact CE1-CE1 3.92Å; Y163-H346 AromaticContact CE1-ND1 3.56Å; V297-H346 HydrophobicContact CB-CB 4.27Å; V297-H346 HydrophobicContact CG2-CB 3.76Å; V297-H346 WeakPolarHBondContact CG2-ND1 3.38Å; R327-H346 VanDerWaalsContact CD-O 3.27Å; R327-H346 WeakPolarHBondContact CD-O 3.43Å; F329-H346 WeakPolarHBondContact CE2-O 3.47Å; I344-H346 PolarHBondContact O-CD2 2.75Å; I344-H346 VanDerWaalsContact O-CD2 3.24Å; I344-H346 PolarHBondContact O-N 2.75Å; I344-H346 VanDerWaalsContact O-N 3.14Å
347G96.6Very high98Very high5 Ų523.2 Ų23.25%0.05211%0.112CC..  trans150151.917900000112.6V295 R327 K334V295-G347 PolarHBondContact O-N 3.24Å; V295-G347 VanDerWaalsContact O-N 3.12Å; R327-G347 CarbonylContact O-C 3.6Å; R327-G347 WeakPolarHBondContact O-CA 3.4Å; K334-G347 WeakPolarHBondContact CE-O 3.26Å; K334-G347 PolarHBondContact NZ-O 3.08Å
348V97.1Very high98Very high7 Ų723.2 Ų23.24%0.04211%0.112CC..BIsolated β-bridgetrans-137.4162.2-177-65.70000111.6A274 R327 L426A274-V348 HydrophobicContact CB-CG2 4.39Å; R327-V348 CarbonylContact C-O 3.6Å; R327-V348 PolarHBondContact N-O 3.35Å; R327-V348 PolarHBondContact O-N 3.41Å; V348-L426 HydrophobicContact CB-CD1 3.5Å; V348-L426 VanDerWaalsContact CB-CD1 3.5Å; V348-L426 HydrophobicContact CB-CD2 4.43Å; V348-L426 HydrophobicContact CB-CG 4.27Å; V348-L426 HydrophobicContact CG1-CD1 3.79Å; V348-L426 HydrophobicContact CG1-CD2 4.17Å; V348-L426 HydrophobicContact CG1-CG 4.48Å; V348-L426 HydrophobicContact CG2-CD1 3.86Å
349S96.9Very high98Very high9 Ų917.8 Ų17.86%0.0639%0.088CC..  trans-85.8163.1172.158.60000111.5H326H326-S349 WeakPolarHBondContact ND1-CA 3.27Å
350G97.2Very high98.1Very high1 Ų113.2 Ų13.21%0.017%0.066CC..  trans162.8-13.8-174.500000117.1H326 Q352 D353 R354H326-G350 PolarHBondContact ND1-N 3.17Å; G350-Q352 PolarHBondContact O-N 2.63Å; G350-D353 PolarHBondContact O-N 3.45Å; G350-R354 WeakPolarHBondContact O-CB 3.42Å; G350-R354 PolarHBondContact O-N 2.87Å
351V98.4Very high98.1Very high0 Ų017.8 Ų17.80%08%0.082CC..THydrogen-bonded Turntrans-61.1-33.4-176.571.70000112.6T67 A88 A89 I97 H326 Q420T67-V351 HydrophobicContact CG2-CG2 4.31Å; A88-V351 HydrophobicContact CB-CG1 3.73Å; A89-V351 HydrophobicContact CB-CG2 3.67Å; I97-V351 HydrophobicContact CG2-CG2 4.46Å; H326-V351 HydrophobicContact CB-CB 3.84Å; H326-V351 HydrophobicContact CB-CG1 4.49Å; H326-V351 PolarHBondContact ND1-N 3.26Å; V351-Q420 HydrophobicContact CG1-CB 4.48Å
352Q98.5Very high98.1Very high15 Ų1517.8 Ų17.87%0.078%0.082CC..THydrogen-bonded Turntrans-77-37.2177.3-178.3177.2-36.300112.5A88 V91 G92 G350 Q420A88-Q352 HydrophobicContact CB-CB 4.22Å; A88-Q352 WeakPolarHBondContact O-CA 3.32Å; V91-Q352 HydrophobicContact CG1-CG 4.45Å; G92-Q352 WeakPolarHBondContact CA-O 3.36Å; G350-Q352 PolarHBondContact O-N 2.63Å; Q352-Q420 HydrophobicContact CB-CB 4.26Å; Q352-Q420 HydrophobicContact CB-CG 4.39Å
353D98.4Very high98.1Very high3 Ų317 Ų172%0.0168%0.077CC..THydrogen-bonded Turntrans-96.8-16.6-166.8-62.9-45.4000113.2G350 M355 S356 V357 K411 I413 Q420 N425 Y427G350-D353 PolarHBondContact O-N 3.45Å; D353-M355 VanDerWaalsContact C-N 3.35Å; D353-M355 PolarHBondContact O-N 3.29Å; D353-S356 PolarHBondContact O-N 2.82Å; D353-S356 VanDerWaalsContact O-N 3.13Å; D353-V357 HydrophobicContact CB-CG2 4.01Å; D353-V357 WeakPolarHBondContact O-CB 3.23Å; D353-V357 WeakPolarHBondContact O-CG2 3.27Å; D353-V357 PolarHBondContact O-N 3.3Å; D353-K411 IonicContact OD1-NZ 3.93Å; D353-I413 HydrophobicContact CB-CD1 4.06Å; D353-Q420 PolarHBondContact OD2-NE2 3.14Å; D353-N425 PolarHBondContact OD2-ND2 3.47Å; D353-Y427 HydrophobicContact CB-CD2 4.03Å; D353-Y427 HydrophobicContact CB-CE2 4.3Å
354R98.7Very high98.2Very high0 Ų014.8 Ų14.80%07%0.073CC..Hα-helixtrans-41.4-55-178.1176172.278.693.911.4113.8I63 D64 T94 T273 V322 G350 I358 T377I63-R354 PolarHBondContact O-NH1 3.47Å; I63-R354 PolarHBondContact O-NH2 2.88Å; D64-R354 IonicContact OD2-NE 2.67Å; D64-R354 PolarHBondContact OD2-NE 2.89Å; T94-R354 PolarHBondContact OG1-NH2 3.08Å; T273-R354 VanDerWaalsContact OG1-CG 3.3Å; T273-R354 WeakPolarHBondContact OG1-CG 3.49Å; V322-R354 PolarHBondContact O-NH1 2.93Å; G350-R354 WeakPolarHBondContact O-CB 3.42Å; G350-R354 PolarHBondContact O-N 2.87Å; R354-I358 WeakPolarHBondContact O-CB 3.43Å; R354-I358 WeakPolarHBondContact O-CG1 3.1Å; R354-I358 PolarHBondContact O-N 3.41Å; R354-T377 PolarHBondContact NH1-O 2.6Å
355M98.7Very high98.1Very high1 Ų117.3 Ų17.31%0.00510%0.099CC..Hα-helixtrans-63-49-175.7-67.8-66.2-68.100111.9I59 G92 D353 W359 F373 T377 W405I59-M355 HydrophobicContact CD1-CE 3.94Å; G92-M355 WeakPolarHBondContact O-CB 3.42Å; G92-M355 WeakPolarHBondContact O-CG 3.47Å; D353-M355 VanDerWaalsContact C-N 3.35Å; D353-M355 PolarHBondContact O-N 3.29Å; M355-W359 WeakPolarHBondContact O-CB 3.49Å; M355-W359 PolarHBondContact O-N 3.4Å; M355-F373 HydrophobicContact CB-CZ 4.42Å; M355-F373 HydrophobicContact CE-CE1 3.43Å; M355-F373 VanDerWaalsContact CE-CE1 3.43Å; M355-F373 HydrophobicContact CE-CE2 4.47Å; M355-F373 HydrophobicContact CE-CZ 3.34Å; M355-F373 WeakPolarHBondContact O-CE2 3.27Å; M355-F373 HydrophobicContact SD-CZ 4.12Å; M355-T377 HydrophobicContact CE-CG2 4.31Å; M355-T377 VanDerWaalsContact SD-CB 3.58Å; M355-T377 HydrophobicContact SD-CG2 3.71Å; M355-W405 HydrophobicContact CB-CH2 3.77Å; M355-W405 HydrophobicContact CB-CZ3 3.93Å
356S98.6Very high98.1Very high0 Ų020.5 Ų20.50%013%0.132CC..Hα-helixtrans-71.5-37.9-176.9-63.70000112.4D353 W359 E360 W405 K411 G434D353-S356 PolarHBondContact O-N 2.82Å; D353-S356 VanDerWaalsContact O-N 3.13Å; S356-W359 PolarHBondContact O-N 2.9Å; S356-E360 WeakPolarHBondContact O-CB 3.4Å; S356-E360 PolarHBondContact O-N 3.5Å; S356-W405 WeakPolarHBondContact OG-CH2 3.42Å; S356-K411 VanDerWaalsContact CB-CE 3.44Å; S356-K411 WeakPolarHBondContact OG-CE 3.41Å; S356-K411 PolarHBondContact OG-NZ 2.9Å; S356-K411 VanDerWaalsContact OG-NZ 3.16Å; S356-G434 PolarHBondContact OG-O 3.07Å
357V98.7Very high98.1Very high0 Ų023.4 Ų23.40%015%0.145CC..Hα-helixtrans-66.1-42.4178169.80000110.8T273 T277 D353 E360 R361 I413 Y427 M430T273-V357 HydrophobicContact CG2-CB 3.87Å; T273-V357 HydrophobicContact CG2-CG1 3.57Å; T277-V357 HydrophobicContact CG2-CG1 3.71Å; D353-V357 HydrophobicContact CB-CG2 4.01Å; D353-V357 WeakPolarHBondContact O-CB 3.23Å; D353-V357 WeakPolarHBondContact O-CG2 3.27Å; D353-V357 PolarHBondContact O-N 3.3Å; V357-E360 PolarHBondContact O-N 2.9Å; V357-R361 WeakPolarHBondContact O-CB 3.22Å; V357-R361 WeakPolarHBondContact O-CG 3.39Å; V357-R361 PolarHBondContact O-N 3.4Å; V357-I413 HydrophobicContact CG2-CD1 3.54Å; V357-Y427 HydrophobicContact CG1-CD1 4.09Å; V357-Y427 HydrophobicContact CG1-CE1 3.87Å; V357-Y427 HydrophobicContact CG2-CD1 4.01Å; V357-Y427 HydrophobicContact CG2-CD2 4Å; V357-Y427 HydrophobicContact CG2-CE1 4.32Å; V357-Y427 HydrophobicContact CG2-CE2 4.32Å; V357-Y427 HydrophobicContact CG2-CG 3.84Å; V357-M430 HydrophobicContact CG2-SD 4.4Å
358I98.7Very high98.2Very high0 Ų023.9 Ų23.90%015%0.146CC..Hα-helixtrans-70.7-34.8175.9-63.2-59.9000111.8T273 A276 T277 M311 V322 R354 G362 F373T273-I358 HydrophobicContact CG2-CD1 4.21Å; T273-I358 HydrophobicContact CG2-CG1 4.24Å; A276-I358 HydrophobicContact CB-CD1 4.45Å; T277-I358 HydrophobicContact CG2-CD1 4.06Å; M311-I358 HydrophobicContact CE-CD1 3.76Å; V322-I358 HydrophobicContact CG1-CG1 4.04Å; V322-I358 HydrophobicContact CG1-CG2 4.34Å; V322-I358 HydrophobicContact CG2-CD1 3.76Å; V322-I358 HydrophobicContact CG2-CG1 3.91Å; R354-I358 WeakPolarHBondContact O-CB 3.43Å; R354-I358 WeakPolarHBondContact O-CG1 3.1Å; R354-I358 PolarHBondContact O-N 3.41Å; I358-G362 VanDerWaalsContact O-CA 3.26Å; I358-G362 WeakPolarHBondContact O-CA 3.24Å; I358-G362 PolarHBondContact O-N 3.23Å; I358-F373 HydrophobicContact CB-CE2 4.28Å; I358-F373 HydrophobicContact CG2-CD2 4.01Å; I358-F373 HydrophobicContact CG2-CE2 4.08Å
359W98.8Very high98.3Very high10 Ų1027.9 Ų27.94%0.03817%0.167CC..Iπ-helixtrans-60.4-49.9172.6-176-87.4000111.5L57 M355 S356 V363 V364 E370 F373 W405 P407 H433L57-W359 HydrophobicContact CD1-CH2 3.37Å; L57-W359 HydrophobicContact CD1-CZ2 4.14Å; L57-W359 HydrophobicContact CD1-CZ3 4.06Å; M355-W359 WeakPolarHBondContact O-CB 3.49Å; M355-W359 PolarHBondContact O-N 3.4Å; S356-W359 PolarHBondContact O-N 2.9Å; W359-V363 HydrophobicContact CD2-CB 4.1Å; W359-V363 HydrophobicContact CD2-CG1 4.42Å; W359-V363 HydrophobicContact CD2-CG2 4.17Å; W359-V363 HydrophobicContact CE3-CB 4.27Å; W359-V363 HydrophobicContact CE3-CG2 3.87Å; W359-V363 HydrophobicContact CG-CB 4.48Å; W359-V363 HydrophobicContact CH2-CG1 4.01Å; W359-V363 HydrophobicContact CZ2-CB 4.49Å; W359-V363 HydrophobicContact CZ2-CG1 3.92Å; W359-V363 HydrophobicContact CZ3-CG1 4.33Å; W359-V363 HydrophobicContact CZ3-CG2 4.12Å; W359-V363 WeakPolarHBondContact O-CA 3.41Å; W359-V363 WeakPolarHBondContact O-CB 3.17Å; W359-V363 PolarHBondContact O-N 3.09Å; W359-V364 PolarHBondContact O-N 2.57Å; W359-E370 HydrophobicContact CH2-CB 3.98Å; W359-E370 HydrophobicContact CZ3-CB 4.16Å; W359-F373 HydrophobicContact CB-CE2 3.91Å; W359-F373 HydrophobicContact CB-CZ 4.26Å; W359-F373 AromaticContact CE3-CD1 3.71Å; W359-F373 HydrophobicContact CE3-CD1 3.71Å; W359-F373 AromaticContact CE3-CD2 3.99Å; W359-F373 HydrophobicContact CE3-CD2 3.99Å; W359-F373 AromaticContact CE3-CE1 3.7Å; W359-F373 HydrophobicContact CE3-CE1 3.7Å; W359-F373 AromaticContact CE3-CE2 4Å; W359-F373 HydrophobicContact CE3-CE2 4Å; W359-F373 AromaticContact CE3-CG 3.84Å; W359-F373 HydrophobicContact CE3-CG 3.84Å; W359-F373 AromaticContact CE3-CZ 3.84Å; W359-F373 HydrophobicContact CE3-CZ 3.84Å; W359-F373 AromaticContact CZ3-CD1 3.82Å; W359-F373 HydrophobicContact CZ3-CD1 3.82Å; W359-F373 HydrophobicContact CZ3-CE1 4.12Å; W359-F373 HydrophobicContact CZ3-CG 4.14Å; W359-W405 HydrophobicContact CB-CZ2 3.75Å; W359-W405 AromaticContact CD2-CE2 3.98Å; W359-W405 HydrophobicContact CD2-CZ2 4.09Å; W359-W405 AromaticContact CD2-NE1 3.33Å; W359-W405 VanDerWaalsContact CD2-NE1 3.33Å; W359-W405 AromaticContact CE2-NE1 3.55Å; W359-W405 HydrophobicContact CE3-CZ2 4.35Å; W359-W405 AromaticContact CE3-NE1 3.47Å; W359-W405 AromaticContact CG-CZ2 3.82Å; W359-W405 HydrophobicContact CG-CZ2 3.82Å; W359-W405 AromaticContact CG-NE1 3.88Å; W359-W405 AromaticContact CZ2-NE1 3.93Å; W359-W405 AromaticContact CZ3-NE1 3.83Å; W359-P407 HydrophobicContact CH2-CB 4.27Å; W359-P407 HydrophobicContact CZ2-CB 3.49Å; W359-P407 VanDerWaalsContact CZ2-CB 3.49Å; W359-H433 VanDerWaalsContact CD1-O 3.23Å
360E98.6Very high98.4Very high38 Ų3829.9 Ų29.918%0.17818%0.175CC..Iπ-helixtrans-60.9-50.1178.9179.762.2-156.200111.8S356 V357 V364 G365 C432 H433S356-E360 WeakPolarHBondContact O-CB 3.4Å; S356-E360 PolarHBondContact O-N 3.5Å; V357-E360 PolarHBondContact O-N 2.9Å; E360-V364 WeakPolarHBondContact O-CB 3.38Å; E360-G365 PolarHBondContact O-N 3.48Å; E360-G365 VanDerWaalsContact O-N 3.1Å; E360-C432 HydrophobicContact CB-CB 4.01Å; E360-C432 HydrophobicContact CG-CB 4.41Å; E360-H433 IonicContact OE1-ND1 3.18Å; E360-H433 IonicContact OE2-CE1 2.94Å; E360-H433 IonicContact OE2-CG 2.8Å; E360-H433 PolarHBondContact OE2-N 2.97Å; E360-H433 IonicContact OE2-ND1 2.7Å; E360-H433 PolarHBondContact OE2-ND1 3.03Å
361R98.2Very high98.4Very high118 Ų11831.1 Ų31.145%0.44518%0.182SC..Iπ-helixtrans-81.4-29.5-174.2-61.6-58.9-168.8161.14.5113.8T277 M311 V357T277-R361 HydrophobicContact CG2-CB 3.83Å; T277-R361 HydrophobicContact CG2-CG 3.66Å; M311-R361 HydrophobicContact CE-CB 3.76Å; V357-R361 WeakPolarHBondContact O-CB 3.22Å; V357-R361 WeakPolarHBondContact O-CG 3.39Å; V357-R361 PolarHBondContact O-N 3.4Å
362G98.5Very high98.5Very high0 Ų033 Ų330%019%0.189CC..Iπ-helixtrans-92.5-58.3-177.500000112.7I358 G366 K367 M368I358-G362 VanDerWaalsContact O-CA 3.26Å; I358-G362 WeakPolarHBondContact O-CA 3.24Å; I358-G362 PolarHBondContact O-N 3.23Å; G362-G366 PolarHBondContact O-N 3.03Å; G362-K367 WeakPolarHBondContact O-CA 3.46Å; G362-K367 PolarHBondContact O-N 3.28Å; G362-M368 PolarHBondContact O-N 3.09Å
363V98.7Very high98.5Very high28 Ų2832.3 Ų32.317%0.1719%0.186CC..Iπ-helixtrans-82.3-56.6-172.1-1760000111.4W359 G365 G366 M368 F373W359-V363 HydrophobicContact CD2-CB 4.1Å; W359-V363 HydrophobicContact CD2-CG1 4.42Å; W359-V363 HydrophobicContact CD2-CG2 4.17Å; W359-V363 HydrophobicContact CE3-CB 4.27Å; W359-V363 HydrophobicContact CE3-CG2 3.87Å; W359-V363 HydrophobicContact CG-CB 4.48Å; W359-V363 HydrophobicContact CH2-CG1 4.01Å; W359-V363 HydrophobicContact CZ2-CB 4.49Å; W359-V363 HydrophobicContact CZ2-CG1 3.92Å; W359-V363 HydrophobicContact CZ3-CG1 4.33Å; W359-V363 HydrophobicContact CZ3-CG2 4.12Å; W359-V363 WeakPolarHBondContact O-CA 3.41Å; W359-V363 WeakPolarHBondContact O-CB 3.17Å; W359-V363 PolarHBondContact O-N 3.09Å; V363-G365 VanDerWaalsContact C-N 3.27Å; V363-G365 PolarHBondContact O-N 3.1Å; V363-G366 PolarHBondContact O-N 2.99Å; V363-M368 WeakPolarHBondContact CA-O 3.32Å; V363-M368 HydrophobicContact CG2-CG 4.09Å; V363-F373 HydrophobicContact CG2-CB 3.67Å; V363-F373 HydrophobicContact CG2-CD2 4.06Å; V363-F373 HydrophobicContact CG2-CG 4.07Å
364V98.4Very high98.5Very high70 Ų7032.2 Ų32.242%0.42419%0.185SC..Iπ-helixtrans-64.1-37.9178.2-179.40000110.7W359 E360 G366 H433W359-V364 PolarHBondContact O-N 2.57Å; E360-V364 WeakPolarHBondContact O-CB 3.38Å; V364-G366 PolarHBondContact O-N 3.08Å; V364-G366 VanDerWaalsContact O-N 3.12Å; V364-H433 HydrophobicContact CG2-CB 3.89Å
365G97.1Very high98.5Very high53 Ų5332.4 Ų32.455%0.54619%0.187SC..THydrogen-bonded Turntrans-65-5.717200000115.2E360 V363 K367E360-G365 PolarHBondContact O-N 3.48Å; E360-G365 VanDerWaalsContact O-N 3.1Å; V363-G365 VanDerWaalsContact C-N 3.27Å; V363-G365 PolarHBondContact O-N 3.1Å; G365-K367 VanDerWaalsContact C-N 3.31Å; G365-K367 PolarHBondContact O-N 3.32Å
366G97.8Very high98.5Very high67 Ų6732.4 Ų32.469%0.69119%0.187SC*.THydrogen-bonded Turntrans73.316.6175.200000115.1G362 V363 V364G362-G366 PolarHBondContact O-N 3.03Å; V363-G366 PolarHBondContact O-N 2.99Å; V364-G366 PolarHBondContact O-N 3.08Å; V364-G366 VanDerWaalsContact O-N 3.12Å
367K97.8Very high98.5Very high67 Ų6732.4 Ų32.429%0.29119%0.187SC..SBendtrans-84.2-32.8178.5-74-174.6169.5-72.40112.9T308 M311 S312 A315 G362 G365T308-K367 VanDerWaalsContact CG2-CE 3.5Å; T308-K367 WeakPolarHBondContact O-CE 2.96Å; T308-K367 PolarHBondContact O-NZ 3.34Å; M311-K367 HydrophobicContact CB-CD 3.68Å; M311-K367 HydrophobicContact CG-CB 4.1Å; M311-K367 HydrophobicContact CG-CD 3.35Å; M311-K367 HydrophobicContact CG-CG 4.36Å; S312-K367 PolarHBondContact OG-NZ 3.13Å; A315-K367 WeakPolarHBondContact CB-O 3.31Å; G362-K367 WeakPolarHBondContact O-CA 3.46Å; G362-K367 PolarHBondContact O-N 3.28Å; G365-K367 VanDerWaalsContact C-N 3.31Å; G365-K367 PolarHBondContact O-N 3.32Å
368M98.4Very high98.5Very high15 Ų1532.4 Ų32.47%0.07419%0.187CC..SBendtrans-141.6158.1177.372.7-178.167.800110.5M311 L314 A315 G362 V363 R372 F373 V376M311-M368 HydrophobicContact CG-CE 4.36Å; M311-M368 HydrophobicContact SD-CE 3.48Å; M311-M368 WeakPolarHBondContact SD-CE 3.42Å; L314-M368 HydrophobicContact CB-CE 4.01Å; A315-M368 HydrophobicContact CB-CB 3.99Å; A315-M368 HydrophobicContact CB-CE 4.46Å; G362-M368 PolarHBondContact O-N 3.09Å; V363-M368 WeakPolarHBondContact CA-O 3.32Å; V363-M368 HydrophobicContact CG2-CG 4.09Å; M368-R372 HydrophobicContact CB-CB 3.96Å; M368-R372 HydrophobicContact CB-CG 3.85Å; M368-R372 HydrophobicContact CG-CG 4.49Å; M368-R372 HydrophobicContact SD-CG 4.19Å; M368-F373 HydrophobicContact SD-CB 4.36Å; M368-V376 HydrophobicContact SD-CG2 4.09Å
369D98.6Very high98.5Very high91 Ų9132.4 Ų32.449%0.48719%0.187SC..  trans-86.6176.6171.960.625.2000111.8N371 R372 F373D369-N371 VanDerWaalsContact C-N 3.27Å; D369-N371 PolarHBondContact O-N 3.44Å; D369-N371 PolarHBondContact OD1-N 2.9Å; D369-R372 PolarHBondContact O-N 3.35Å; D369-R372 VanDerWaalsContact OD1-CB 3.28Å; D369-R372 WeakPolarHBondContact OD1-CB 3.32Å; D369-R372 PolarHBondContact OD1-N 2.89Å; D369-F373 PolarHBondContact O-N 3.07Å
370E98.7Very high98.5Very high50 Ų5033 Ų3323%0.23419%0.191CC..Hα-helixtrans-63.4-29.5178.260.3-177.5-161.600113.2V18 T23 L57 W359 F373 V374V18-E370 HydrophobicContact CG1-CB 3.97Å; V18-E370 HydrophobicContact CG1-CG 3.78Å; V18-E370 HydrophobicContact CG2-CG 4.33Å; T23-E370 WeakPolarHBondContact CB-OE1 3.47Å; T23-E370 WeakPolarHBondContact CG2-OE1 3.22Å; T23-E370 PolarHBondContact OG1-OE1 3.26Å; L57-E370 WeakPolarHBondContact CD1-OE2 3.46Å; W359-E370 HydrophobicContact CH2-CB 3.98Å; W359-E370 HydrophobicContact CZ3-CB 4.16Å; E370-F373 WeakPolarHBondContact O-CB 3.31Å; E370-F373 PolarHBondContact O-N 3.02Å; E370-V374 WeakPolarHBondContact O-CG2 3.49Å; E370-V374 PolarHBondContact O-N 3.07Å; E370-V374 VanDerWaalsContact O-N 3.08Å
371N98.9Very high98.5Very high28 Ų2831.2 Ų31.215%0.1518%0.182CC..Hα-helixtrans-72-43.7178.6-56.4104.2000110.5N19 D20 C22 T23 D369 F373 V374 A375N19-N371 WeakPolarHBondContact O-CA 3.23Å; N19-N371 WeakPolarHBondContact O-CB 3.26Å; N19-N371 PolarHBondContact O-ND2 2.85Å; D20-N371 WeakPolarHBondContact CA-O 3.38Å; C22-N371 PolarHBondContact O-ND2 3.42Å; T23-N371 PolarHBondContact N-ND2 3.32Å; T23-N371 PolarHBondContact OG1-ND2 3.39Å; D369-N371 VanDerWaalsContact C-N 3.27Å; D369-N371 PolarHBondContact O-N 3.44Å; D369-N371 PolarHBondContact OD1-N 2.9Å; N371-F373 VanDerWaalsContact C-N 3.32Å; N371-F373 PolarHBondContact O-N 3.5Å; N371-V374 WeakPolarHBondContact O-CB 3.36Å; N371-V374 PolarHBondContact O-N 3.35Å; N371-A375 PolarHBondContact O-N 3.28Å
372R98.8Very high98.6Very high39 Ų3925.6 Ų25.615%0.14716%0.161CC..Hα-helixtrans-66.7-34.9174.2-175.265.8-165.6163.76.4111.8L314 D317 L319 M368 D369 A375 V376L314-R372 PolarHBondContact O-NE 3.42Å; L314-R372 PolarHBondContact O-NH2 2.87Å; D317-R372 IonicContact OD1-CZ 2.99Å; D317-R372 IonicContact OD1-NH1 3.82Å; D317-R372 PolarHBondContact OD1-NH1 2.78Å; D317-R372 IonicContact OD1-NH2 3.89Å; D317-R372 PolarHBondContact OD1-NH2 3.45Å; L319-R372 PolarHBondContact O-NH2 2.9Å; M368-R372 HydrophobicContact CB-CB 3.96Å; M368-R372 HydrophobicContact CB-CG 3.85Å; M368-R372 HydrophobicContact CG-CG 4.49Å; M368-R372 HydrophobicContact SD-CG 4.19Å; D369-R372 PolarHBondContact O-N 3.35Å; D369-R372 VanDerWaalsContact OD1-CB 3.28Å; D369-R372 WeakPolarHBondContact OD1-CB 3.32Å; D369-R372 PolarHBondContact OD1-N 2.89Å; R372-A375 WeakPolarHBondContact O-CB 3.46Å; R372-A375 PolarHBondContact O-N 2.93Å; R372-A375 VanDerWaalsContact O-N 3.16Å; R372-V376 WeakPolarHBondContact O-CG2 3.37Å; R372-V376 PolarHBondContact O-N 3.03Å
373F98.9Very high98.5Very high1 Ų128.1 Ų28.10%0.00417%0.172CC..Hα-helixtrans-56.7-47.8170172.4-96.1000111.8I59 M355 I358 W359 V363 M368 D369 E370 N371 A375 V376 T377 W405I59-F373 HydrophobicContact CD1-CE1 4.04Å; M355-F373 HydrophobicContact CB-CZ 4.42Å; M355-F373 HydrophobicContact CE-CE1 3.43Å; M355-F373 VanDerWaalsContact CE-CE1 3.43Å; M355-F373 HydrophobicContact CE-CE2 4.47Å; M355-F373 HydrophobicContact CE-CZ 3.34Å; M355-F373 WeakPolarHBondContact O-CE2 3.27Å; M355-F373 HydrophobicContact SD-CZ 4.12Å; I358-F373 HydrophobicContact CB-CE2 4.28Å; I358-F373 HydrophobicContact CG2-CD2 4.01Å; I358-F373 HydrophobicContact CG2-CE2 4.08Å; W359-F373 HydrophobicContact CB-CE2 3.91Å; W359-F373 HydrophobicContact CB-CZ 4.26Å; W359-F373 AromaticContact CE3-CD1 3.71Å; W359-F373 HydrophobicContact CE3-CD1 3.71Å; W359-F373 AromaticContact CE3-CD2 3.99Å; W359-F373 HydrophobicContact CE3-CD2 3.99Å; W359-F373 AromaticContact CE3-CE1 3.7Å; W359-F373 HydrophobicContact CE3-CE1 3.7Å; W359-F373 AromaticContact CE3-CE2 4Å; W359-F373 HydrophobicContact CE3-CE2 4Å; W359-F373 AromaticContact CE3-CG 3.84Å; W359-F373 HydrophobicContact CE3-CG 3.84Å; W359-F373 AromaticContact CE3-CZ 3.84Å; W359-F373 HydrophobicContact CE3-CZ 3.84Å; W359-F373 AromaticContact CZ3-CD1 3.82Å; W359-F373 HydrophobicContact CZ3-CD1 3.82Å; W359-F373 HydrophobicContact CZ3-CE1 4.12Å; W359-F373 HydrophobicContact CZ3-CG 4.14Å; V363-F373 HydrophobicContact CG2-CB 3.67Å; V363-F373 HydrophobicContact CG2-CD2 4.06Å; V363-F373 HydrophobicContact CG2-CG 4.07Å; M368-F373 HydrophobicContact SD-CB 4.36Å; D369-F373 PolarHBondContact O-N 3.07Å; E370-F373 WeakPolarHBondContact O-CB 3.31Å; E370-F373 PolarHBondContact O-N 3.02Å; N371-F373 VanDerWaalsContact C-N 3.32Å; N371-F373 PolarHBondContact O-N 3.5Å; F373-A375 VanDerWaalsContact C-N 3.29Å; F373-A375 PolarHBondContact O-N 2.91Å; F373-V376 PolarHBondContact O-N 3.42Å; F373-T377 HydrophobicContact CD2-CG2 4.03Å; F373-T377 HydrophobicContact CE1-CG2 4.47Å; F373-T377 HydrophobicContact CE2-CG2 3.8Å; F373-T377 HydrophobicContact CG-CG2 4.47Å; F373-T377 HydrophobicContact CZ-CG2 4.05Å; F373-T377 WeakPolarHBondContact O-CB 3.37Å; F373-T377 VanDerWaalsContact O-CG2 3.29Å; F373-T377 WeakPolarHBondContact O-CG2 3.31Å; F373-T377 PolarHBondContact O-N 3.32Å; F373-T377 VanDerWaalsContact O-N 3.07Å; F373-T377 PolarHBondContact O-OG1 3.28Å; F373-W405 HydrophobicContact CZ-CZ2 4.47Å
374V98.9Very high98.5Very high1 Ų127 Ų271%0.00617%0.165CC..Hα-helixtrans-60.1-41.2174.7169.10000111.2V18 D20 I59 P60 E370 N371 S378 S379V18-V374 HydrophobicContact CB-CG2 4.38Å; V18-V374 HydrophobicContact CG1-CG2 3.81Å; D20-V374 HydrophobicContact CB-CG1 4.47Å; I59-V374 HydrophobicContact CB-CG2 4.1Å; I59-V374 HydrophobicContact CG2-CG2 3.72Å; P60-V374 HydrophobicContact CG-CG1 3.86Å; E370-V374 WeakPolarHBondContact O-CG2 3.49Å; E370-V374 PolarHBondContact O-N 3.07Å; E370-V374 VanDerWaalsContact O-N 3.08Å; N371-V374 WeakPolarHBondContact O-CB 3.36Å; N371-V374 PolarHBondContact O-N 3.35Å; V374-S378 PolarHBondContact O-N 2.86Å; V374-S378 PolarHBondContact O-OG 3.43Å; V374-S379 PolarHBondContact O-N 3.48Å; V374-S379 VanDerWaalsContact O-N 3.16Å
375A98.9Very high98.4Very high4 Ų423.7 Ų23.73%0.03315%0.145CC..Iπ-helixtrans-59.5-51.117900000112.4D20 N371 R372 F373 S379 N380D20-A375 HydrophobicContact CB-CB 3.88Å; N371-A375 PolarHBondContact O-N 3.28Å; R372-A375 WeakPolarHBondContact O-CB 3.46Å; R372-A375 PolarHBondContact O-N 2.93Å; R372-A375 VanDerWaalsContact O-N 3.16Å; F373-A375 VanDerWaalsContact C-N 3.29Å; F373-A375 PolarHBondContact O-N 2.91Å; A375-S379 PolarHBondContact O-N 3.02Å; A375-N380 WeakPolarHBondContact O-CB 3.47Å; A375-N380 VanDerWaalsContact O-CG 3.24Å; A375-N380 PolarHBondContact O-N 3.49Å; A375-N380 PolarHBondContact O-ND2 3.24Å
376V98.8Very high98.4Very high0 Ų022.8 Ų22.80%013%0.128CC..Iπ-helixtrans-77.3-22.3-175.2-57.80000113.9L314 N320 I321 V322 M368 R372 F373L314-V376 HydrophobicContact CD2-CB 4.31Å; L314-V376 HydrophobicContact CD2-CG1 4.16Å; N320-V376 WeakPolarHBondContact O-CA 3.24Å; I321-V376 WeakPolarHBondContact CA-O 3.24Å; V322-V376 HydrophobicContact CG1-CB 4.49Å; V322-V376 HydrophobicContact CG1-CG2 4.17Å; V322-V376 PolarHBondContact N-O 2.74Å; M368-V376 HydrophobicContact SD-CG2 4.09Å; R372-V376 WeakPolarHBondContact O-CG2 3.37Å; R372-V376 PolarHBondContact O-N 3.03Å; F373-V376 PolarHBondContact O-N 3.42Å
377T98.9Very high98.4Very high1 Ų120.1 Ų20.11%0.00610%0.097CC..Iπ-helixtrans-96.1-19.3-179.159.80000114.1I63 V322 R354 M355 F373I63-T377 PolarHBondContact N-O 3.15Å; V322-T377 HydrophobicContact CG1-CG2 4.05Å; R354-T377 PolarHBondContact NH1-O 2.6Å; M355-T377 HydrophobicContact CE-CG2 4.31Å; M355-T377 VanDerWaalsContact SD-CB 3.58Å; M355-T377 HydrophobicContact SD-CG2 3.71Å; F373-T377 HydrophobicContact CD2-CG2 4.03Å; F373-T377 HydrophobicContact CE1-CG2 4.47Å; F373-T377 HydrophobicContact CE2-CG2 3.8Å; F373-T377 HydrophobicContact CG-CG2 4.47Å; F373-T377 HydrophobicContact CZ-CG2 4.05Å; F373-T377 WeakPolarHBondContact O-CB 3.37Å; F373-T377 VanDerWaalsContact O-CG2 3.29Å; F373-T377 WeakPolarHBondContact O-CG2 3.31Å; F373-T377 PolarHBondContact O-N 3.32Å; F373-T377 VanDerWaalsContact O-N 3.07Å; F373-T377 PolarHBondContact O-OG1 3.28Å
378S98.9Very high98.4Very high0 Ų020.4 Ų20.40%010%0.097CC..Iπ-helixtrans-146.7-60.1-175.869.90000114.7V374 N380 A381 A382V374-S378 PolarHBondContact O-N 2.86Å; V374-S378 PolarHBondContact O-OG 3.43Å; S378-N380 PolarHBondContact O-N 3.32Å; S378-A381 WeakPolarHBondContact O-CB 3.43Å; S378-A381 PolarHBondContact O-N 3.21Å; S378-A382 PolarHBondContact O-N 3.3Å
379S98.9Very high98.4Very high0 Ų022.7 Ų22.70%011%0.113CC..Iπ-helixtrans-65.5-39.9-165.7-46.40000113V374 A375 A382 K383 G392V374-S379 PolarHBondContact O-N 3.48Å; V374-S379 VanDerWaalsContact O-N 3.16Å; A375-S379 PolarHBondContact O-N 3.02Å; S379-A382 PolarHBondContact O-N 2.9Å; S379-K383 VanDerWaalsContact O-CG 3.26Å; S379-K383 WeakPolarHBondContact O-CG 3.39Å; S379-K383 PolarHBondContact O-N 3.02Å; S379-G392 WeakPolarHBondContact CB-O 3.29Å; S379-G392 PolarHBondContact OG-O 2.79Å
380N98.7Very high98.4Very high22 Ų2223.1 Ų23.112%0.11811%0.108CC..Hα-helixtrans-67.5-39.1177.9-69.7-18.2000111.7N320 I321 A375 S378 K383 L384N320-N380 WeakPolarHBondContact O-CB 3.5Å; N320-N380 PolarHBondContact O-ND2 2.78Å; I321-N380 HydrophobicContact CD1-CB 4.39Å; I321-N380 HydrophobicContact CG1-CB 3.8Å; A375-N380 WeakPolarHBondContact O-CB 3.47Å; A375-N380 VanDerWaalsContact O-CG 3.24Å; A375-N380 PolarHBondContact O-N 3.49Å; A375-N380 PolarHBondContact O-ND2 3.24Å; S378-N380 PolarHBondContact O-N 3.32Å; N380-K383 PolarHBondContact O-N 3.37Å; N380-L384 WeakPolarHBondContact O-CB 3.34Å; N380-L384 PolarHBondContact O-N 3Å
381A98.6Very high98.4Very high0 Ų021 Ų210%010%0.098CC..Hα-helixtrans-61.9-45.5172.600000111.2I63 T65 I321 S378 K383 L384 L385I63-A381 HydrophobicContact CB-CB 3.91Å; I63-A381 HydrophobicContact CG2-CB 3.82Å; T65-A381 HydrophobicContact CG2-CB 3.48Å; T65-A381 VanDerWaalsContact CG2-CB 3.48Å; I321-A381 HydrophobicContact CD1-CB 4.05Å; I321-A381 HydrophobicContact CG1-CB 4.38Å; I321-A381 HydrophobicContact CG2-CB 4.45Å; S378-A381 WeakPolarHBondContact O-CB 3.43Å; S378-A381 PolarHBondContact O-N 3.21Å; A381-K383 PolarHBondContact O-N 3.01Å; A381-L384 PolarHBondContact O-N 2.8Å; A381-L385 VanDerWaalsContact O-CB 3.3Å; A381-L385 WeakPolarHBondContact O-CB 3.47Å; A381-L385 WeakPolarHBondContact O-CD1 3.32Å; A381-L385 WeakPolarHBondContact O-CG 3.24Å; A381-L385 PolarHBondContact O-N 2.8Å
382A98.6Very high98.4Very high0 Ų020 Ų200%09%0.093CC..Hα-helixtrans-61.7-40.4176.400000112.7I63 S378 S379 N386 L387 Y388 K391I63-A382 HydrophobicContact CD1-CB 3.84Å; S378-A382 PolarHBondContact O-N 3.3Å; S379-A382 PolarHBondContact O-N 2.9Å; A382-N386 PolarHBondContact O-N 3.1Å; A382-N386 VanDerWaalsContact O-N 3.14Å; A382-L387 HydrophobicContact CB-CB 4.36Å; A382-L387 PolarHBondContact O-N 3.36Å; A382-Y388 HydrophobicContact CB-CD2 4.39Å; A382-Y388 PolarHBondContact O-N 3.19Å; A382-Y388 VanDerWaalsContact O-N 3.11Å; A382-K391 HydrophobicContact CB-CB 4.5Å; A382-K391 WeakPolarHBondContact CB-O 3.38Å
383K98.2Very high98.4Very high54 Ų5419.9 Ų19.924%0.2359%0.093CC..Hα-helixtrans-64.5-45.7175.9-70.9165.9-169.3168.30111.2D20 S379 N380 A381 N386 Y388 T470D20-K383 IonicContact OD2-NZ 2.68Å; D20-K383 PolarHBondContact OD2-NZ 3.41Å; S379-K383 VanDerWaalsContact O-CG 3.26Å; S379-K383 WeakPolarHBondContact O-CG 3.39Å; S379-K383 PolarHBondContact O-N 3.02Å; N380-K383 PolarHBondContact O-N 3.37Å; A381-K383 PolarHBondContact O-N 3.01Å; K383-N386 PolarHBondContact O-N 3.02Å; K383-Y388 HydrophobicContact CG-CD1 4.06Å; K383-Y388 HydrophobicContact CG-CD2 4.01Å; K383-Y388 HydrophobicContact CG-CG 3.68Å; K383-T470 HydrophobicContact CB-CG2 4.31Å; K383-T470 WeakPolarHBondContact O-CG2 3.32Å
384L97.1Very high98.4Very high3 Ų320 Ų202%0.0169%0.094CC..Hα-helixtrans-60.8-48.5178179.562000110.6I187 Y244 L268 I321 N380 A381 N386 P468 V471I187-L384 HydrophobicContact CD1-CD1 3.78Å; I187-L384 HydrophobicContact CD1-CG 3.89Å; I187-L384 VanDerWaalsContact CD1-O 3.24Å; I187-L384 WeakPolarHBondContact CD1-O 3.31Å; I187-L384 HydrophobicContact CG1-CD1 4.05Å; I187-L384 HydrophobicContact CG2-CD1 4.04Å; Y244-L384 HydrophobicContact CD2-CD2 3.66Å; Y244-L384 HydrophobicContact CE1-CD2 4.27Å; Y244-L384 HydrophobicContact CE2-CD2 3.37Å; Y244-L384 HydrophobicContact CG-CD2 4.19Å; L268-L384 HydrophobicContact CD2-CD1 4.47Å; I321-L384 HydrophobicContact CD1-CB 4.34Å; I321-L384 HydrophobicContact CD1-CD2 3.71Å; N380-L384 WeakPolarHBondContact O-CB 3.34Å; N380-L384 PolarHBondContact O-N 3Å; A381-L384 PolarHBondContact O-N 2.8Å; L384-N386 PolarHBondContact O-N 2.83Å; L384-P468 VanDerWaalsContact O-CB 3.26Å; L384-P468 WeakPolarHBondContact O-CB 3.39Å; L384-P468 WeakPolarHBondContact O-CG 3.39Å; L384-V471 HydrophobicContact CD1-CG1 4.1Å
385L97.2Very high98.3Very high2 Ų223 Ų231%0.0111%0.109CC..THydrogen-bonded Turntrans-79.63.6-176.8-61168000114.1I63 T65 I98 N155 A381 L387 L464I63-L385 HydrophobicContact CG2-CD1 4.23Å; T65-L385 HydrophobicContact CG2-CD1 4.3Å; I98-L385 HydrophobicContact CD1-CD1 3.52Å; I98-L385 HydrophobicContact CG1-CD1 3.84Å; N155-L385 PolarHBondContact ND2-O 2.8Å; A381-L385 VanDerWaalsContact O-CB 3.3Å; A381-L385 WeakPolarHBondContact O-CB 3.47Å; A381-L385 WeakPolarHBondContact O-CD1 3.32Å; A381-L385 WeakPolarHBondContact O-CG 3.24Å; A381-L385 PolarHBondContact O-N 2.8Å; L385-L387 VanDerWaalsContact C-N 3.33Å; L385-L387 HydrophobicContact CB-CD1 4.22Å; L385-L387 HydrophobicContact CB-CG 4.37Å; L385-L387 PolarHBondContact O-N 3.01Å; L385-L464 HydrophobicContact CB-CD1 4.3Å; L385-L464 HydrophobicContact CB-CD2 4.32Å; L385-L464 HydrophobicContact CD2-CD1 3.84Å
386N97.2Very high98.3Very high34 Ų3426 Ų2618%0.18213%0.129CC..THydrogen-bonded Turntrans61.836-179.2-152.51.7000114.2A382 K383 L384 R465 S466 P468A382-N386 PolarHBondContact O-N 3.1Å; A382-N386 VanDerWaalsContact O-N 3.14Å; K383-N386 PolarHBondContact O-N 3.02Å; L384-N386 PolarHBondContact O-N 2.83Å; N386-R465 WeakPolarHBondContact CB-O 3.35Å; N386-R465 WeakPolarHBondContact ND2-CB 3.34Å; N386-R465 PolarHBondContact ND2-O 3.07Å; N386-S466 PolarHBondContact ND2-O 3.09Å; N386-P468 HydrophobicContact CB-CB 4.16Å
387L97.7Very high98.3Very high10 Ų1028.7 Ų28.75%0.05216%0.156CC..  trans-110.9-6.5177.5-67.6174000113.3M96 A382 L385 R390 K391 L464M96-L387 HydrophobicContact CE-CD1 3.52Å; M96-L387 HydrophobicContact SD-CD1 3.61Å; A382-L387 HydrophobicContact CB-CB 4.36Å; A382-L387 PolarHBondContact O-N 3.36Å; L385-L387 VanDerWaalsContact C-N 3.33Å; L385-L387 HydrophobicContact CB-CD1 4.22Å; L385-L387 HydrophobicContact CB-CG 4.37Å; L385-L387 PolarHBondContact O-N 3.01Å; L387-R390 CarbonylContact O-C 3.44Å; L387-R390 VanDerWaalsContact O-CA 3.29Å; L387-R390 WeakPolarHBondContact O-CA 3.29Å; L387-R390 VanDerWaalsContact O-CB 3.24Å; L387-R390 WeakPolarHBondContact O-CB 3.42Å; L387-R390 PolarHBondContact O-N 3.03Å; L387-K391 HydrophobicContact CB-CB 4.44Å; L387-K391 HydrophobicContact CD1-CD 4.41Å; L387-K391 PolarHBondContact O-N 3.22Å; L387-L464 HydrophobicContact CD1-CD2 3.65Å; L387-L464 HydrophobicContact CD2-CD2 3.92Å; L387-L464 HydrophobicContact CG-CD2 3.77Å
388Y98.3Very high98.3Very high74 Ų7428.8 Ų28.829%0.2916%0.157SC..THydrogen-bonded Turntrans-79.8138.6178.8-173-91.5000111.7A382 K383 R393A382-Y388 HydrophobicContact CB-CD2 4.39Å; A382-Y388 PolarHBondContact O-N 3.19Å; A382-Y388 VanDerWaalsContact O-N 3.11Å; K383-Y388 HydrophobicContact CG-CD1 4.06Å; K383-Y388 HydrophobicContact CG-CD2 4.01Å; K383-Y388 HydrophobicContact CG-CG 3.68Å; Y388-R393 HydrophobicContact CE2-CB 3.94Å; Y388-R393 HydrophobicContact CE2-CG 4.43Å; Y388-R393 WeakPolarHBondContact OH-CD 3.49Å; Y388-R393 PolarHBondContact OH-NH1 3.07Å
389P98Very high98.3Very high62 Ų6229.6 Ų29.640%0.40316%0.161SC..THydrogen-bonded Turncis-91.211.5-0.638-36.6000113.9K391 R393 I395 A398P389-K391 PolarHBondContact O-N 3.49Å; P389-R393 HydrophobicContact CB-CB 4.31Å; P389-I395 HydrophobicContact CB-CG2 4.3Å; P389-A398 WeakPolarHBondContact O-CB 3.19Å
390R98Very high98.2Very high101 Ų10129.6 Ų29.638%0.38116%0.161SC..THydrogen-bonded Turntrans-57.9-36178.4177.3-178.2169.2-144.3-19.3112.1L387 D399L387-R390 CarbonylContact O-C 3.44Å; L387-R390 VanDerWaalsContact O-CA 3.29Å; L387-R390 WeakPolarHBondContact O-CA 3.29Å; L387-R390 VanDerWaalsContact O-CB 3.24Å; L387-R390 WeakPolarHBondContact O-CB 3.42Å; L387-R390 PolarHBondContact O-N 3.03Å; R390-D399 HydrophobicContact CG-CB 4.47Å; R390-D399 WeakPolarHBondContact CG-OD1 3.46Å; R390-D399 IonicContact CZ-OD1 2.79Å; R390-D399 IonicContact CZ-OD2 2.66Å; R390-D399 VanDerWaalsContact NE-CG 3.31Å; R390-D399 IonicContact NE-OD1 3.41Å; R390-D399 PolarHBondContact NE-OD1 3.49Å; R390-D399 IonicContact NE-OD2 2.75Å; R390-D399 PolarHBondContact NE-OD2 2.9Å; R390-D399 IonicContact NH2-OD1 3.71Å; R390-D399 IonicContact NH2-OD2 3.2Å; R390-D399 PolarHBondContact NH2-OD2 3.36Å; R390-D399 WeakPolarHBondContact O-CB 3.35Å; R390-D399 PolarHBondContact O-N 3.44Å
391K98.7Very high98.2Very high6 Ų628.9 Ų28.93%0.02616%0.157CC..SBendtrans-125163.1166.1-62.6-166.3-173.2-59.60110.3I63 M96 D127 A382 L387 P389 R393 D399 D401I63-K391 HydrophobicContact CD1-CB 4.07Å; M96-K391 HydrophobicContact CB-CD 4.48Å; M96-K391 HydrophobicContact SD-CD 3.58Å; M96-K391 VanDerWaalsContact SD-CD 3.58Å; D127-K391 IonicContact OD2-NZ 3.63Å; D127-K391 PolarHBondContact OD2-NZ 2.97Å; A382-K391 HydrophobicContact CB-CB 4.5Å; A382-K391 WeakPolarHBondContact CB-O 3.38Å; L387-K391 HydrophobicContact CB-CB 4.44Å; L387-K391 HydrophobicContact CD1-CD 4.41Å; L387-K391 PolarHBondContact O-N 3.22Å; P389-K391 PolarHBondContact O-N 3.49Å; K391-R393 VanDerWaalsContact C-N 3.32Å; K391-R393 PolarHBondContact O-N 3.28Å; K391-D399 HydrophobicContact CG-CB 4.39Å; K391-D399 IonicContact NZ-OD2 3.78Å; K391-D399 PolarHBondContact NZ-OD2 3.39Å; K391-D401 IonicContact NZ-OD2 3.18Å; K391-D401 PolarHBondContact NZ-OD2 3.07Å
392G98.6Very high98.3Very high5 Ų528.9 Ų28.95%0.05216%0.157CC..SBendtrans74.119177.500000114.5S379S379-G392 WeakPolarHBondContact CB-O 3.29Å; S379-G392 PolarHBondContact OG-O 2.79Å
393R98.8Very high98.3Very high37 Ų3728.9 Ų28.914%0.1416%0.157CC..SBendtrans-154.5140.6173-162.3175.6-175.476.45.3111.4N19 D20 D21 Y388 P389 K391 I395N19-R393 WeakPolarHBondContact OD1-CA 3.39Å; N19-R393 WeakPolarHBondContact OD1-CG 3.37Å; D20-R393 IonicContact OD1-NH1 2.9Å; D20-R393 PolarHBondContact OD1-NH1 2.88Å; D21-R393 IonicContact OD1-CZ 3.68Å; D21-R393 VanDerWaalsContact OD1-CZ 3.27Å; D21-R393 IonicContact OD1-NH1 2.74Å; D21-R393 PolarHBondContact OD1-NH1 2.8Å; D21-R393 IonicContact OD1-NH2 2.87Å; D21-R393 PolarHBondContact OD1-NH2 2.8Å; D21-R393 IonicContact OD2-CZ 2.74Å; D21-R393 IonicContact OD2-NH1 3.64Å; D21-R393 IonicContact OD2-NH2 3.75Å; D21-R393 PolarHBondContact OD2-NH2 3.25Å; Y388-R393 HydrophobicContact CE2-CB 3.94Å; Y388-R393 HydrophobicContact CE2-CG 4.43Å; Y388-R393 WeakPolarHBondContact OH-CD 3.49Å; Y388-R393 PolarHBondContact OH-NH1 3.07Å; P389-R393 HydrophobicContact CB-CB 4.31Å; K391-R393 VanDerWaalsContact C-N 3.32Å; K391-R393 PolarHBondContact O-N 3.28Å; R393-I395 HydrophobicContact CB-CG2 4.33Å; R393-I395 HydrophobicContact CG-CB 4.33Å; R393-I395 HydrophobicContact CG-CG2 4.16Å
394I98.8Very high98.3Very high4 Ų426.4 Ų26.42%0.02115%0.147CC..  trans-90.998.4169.6-53.8-54.6000108.1V17 N19 V28 I35 V38 P60 V402V17-I394 HydrophobicContact CG1-CB 3.66Å; V17-I394 HydrophobicContact CG1-CG1 4.23Å; V17-I394 HydrophobicContact CG1-CG2 3.67Å; V17-I394 HydrophobicContact CG2-CG2 4.19Å; N19-I394 PolarHBondContact ND2-O 3.38Å; N19-I394 VanDerWaalsContact ND2-O 3.09Å; N19-I394 PolarHBondContact OD1-N 3.22Å; V28-I394 HydrophobicContact CG1-CG2 4.23Å; V28-I394 HydrophobicContact CG2-CG2 3.8Å; I35-I394 HydrophobicContact CD1-CD1 4.07Å; I35-I394 HydrophobicContact CD1-CG2 4.2Å; V38-I394 HydrophobicContact CG2-CG2 4.05Å; P60-I394 HydrophobicContact CB-CD1 4.43Å; P60-I394 HydrophobicContact CG-CD1 4.23Å; P60-I394 HydrophobicContact CG-CG1 4.04Å; I394-V402 HydrophobicContact CD1-CB 4.28Å; I394-V402 HydrophobicContact CD1-CG1 3.95Å; I394-V402 HydrophobicContact CD1-CG2 3.67Å
395I98.5Very high98.4Very high64 Ų6426.2 Ų26.233%0.32815%0.146SC..SBendtrans-153.4148.9-179.9-168.7169.2000109.7P389 R393 G397 A398P389-I395 HydrophobicContact CB-CG2 4.3Å; R393-I395 HydrophobicContact CB-CG2 4.33Å; R393-I395 HydrophobicContact CG-CB 4.33Å; R393-I395 HydrophobicContact CG-CG2 4.16Å; I395-G397 PolarHBondContact O-N 3.16Å; I395-A398 HydrophobicContact CG2-CB 3.95Å; I395-A398 WeakPolarHBondContact O-CB 3.25Å; I395-A398 PolarHBondContact O-N 3.21Å; I395-A398 VanDerWaalsContact O-N 3.15Å
396P98.4Very high98.4Very high68 Ų6826.9 Ų26.944%0.44215%0.149SC..THydrogen-bonded Turntrans-51.5133.9172.4-30.538.6000112.9I35 V38I35-P396 CarbonylContact O-C 3.56Å; I35-P396 VanDerWaalsContact O-CA 3.32Å; I35-P396 WeakPolarHBondContact O-CA 3.32Å; V38-P396 HydrophobicContact CG2-CG 4.34Å
397G98.2Very high98.5Very high56 Ų5626.3 Ų26.358%0.57715%0.148SC*.THydrogen-bonded Turntrans90-10.7-177.600000115.5I35 I395I35-G397 PolarHBondContact O-N 3.11Å; I395-G397 PolarHBondContact O-N 3.16Å
398A98.6Very high98.5Very high3 Ų333 Ų333%0.02518%0.178CC..SBendtrans-75.7157.5173.900000112.4I34 I35 P389 I395 A400I34-A398 WeakPolarHBondContact CA-O 3.5Å; I35-A398 HydrophobicContact CD1-CB 4.34Å; I35-A398 PolarHBondContact N-O 3.43Å; P389-A398 WeakPolarHBondContact O-CB 3.19Å; I395-A398 HydrophobicContact CG2-CB 3.95Å; I395-A398 WeakPolarHBondContact O-CB 3.25Å; I395-A398 PolarHBondContact O-N 3.21Å; I395-A398 VanDerWaalsContact O-N 3.15Å; A398-A400 PolarHBondContact O-N 3.48Å
399D98.6Very high98.4Very high16 Ų1630.8 Ų30.89%0.08618%0.176CC..BIsolated β-bridgetrans-59.8137170.8-71.2-2.1000108.8R390 K391 D401R390-D399 HydrophobicContact CG-CB 4.47Å; R390-D399 WeakPolarHBondContact CG-OD1 3.46Å; R390-D399 IonicContact CZ-OD1 2.79Å; R390-D399 IonicContact CZ-OD2 2.66Å; R390-D399 VanDerWaalsContact NE-CG 3.31Å; R390-D399 IonicContact NE-OD1 3.41Å; R390-D399 PolarHBondContact NE-OD1 3.49Å; R390-D399 IonicContact NE-OD2 2.75Å; R390-D399 PolarHBondContact NE-OD2 2.9Å; R390-D399 IonicContact NH2-OD1 3.71Å; R390-D399 IonicContact NH2-OD2 3.2Å; R390-D399 PolarHBondContact NH2-OD2 3.36Å; R390-D399 WeakPolarHBondContact O-CB 3.35Å; R390-D399 PolarHBondContact O-N 3.44Å; K391-D399 HydrophobicContact CG-CB 4.39Å; K391-D399 IonicContact NZ-OD2 3.78Å; K391-D399 PolarHBondContact NZ-OD2 3.39Å; D399-D401 PolarHBondContact O-N 3.24Å
400A98.5Very high98.4Very high0 Ų030.5 Ų30.50%017%0.173CC..  trans-79.365.617800000111.8I30 G33 I35 A398 I440 R442 G443I30-A400 HydrophobicContact CB-CB 4.24Å; I30-A400 HydrophobicContact CD1-CB 3.99Å; I30-A400 HydrophobicContact CG1-CB 3.85Å; I30-A400 HydrophobicContact CG2-CB 3.38Å; G33-A400 WeakPolarHBondContact O-CB 3.31Å; G33-A400 PolarHBondContact O-N 3.29Å; I35-A400 HydrophobicContact CG1-CB 4.24Å; A398-A400 PolarHBondContact O-N 3.48Å; A400-I440 WeakPolarHBondContact O-CG2 3.41Å; A400-R442 PolarHBondContact O-N 3.41Å; A400-G443 PolarHBondContact O-N 2.88Å
401D98.8Very high98.3Very high8 Ų828.1 Ų28.14%0.04317%0.165CC..  trans-106.993.3171-75.4-12.7000108.5G61 T95 K391 D399 I440 S441 R442G61-D401 PolarHBondContact N-O 2.95Å; T95-D401 HydrophobicContact CG2-CB 4.34Å; T95-D401 WeakPolarHBondContact OG1-CB 3.33Å; K391-D401 IonicContact NZ-OD2 3.18Å; K391-D401 PolarHBondContact NZ-OD2 3.07Å; D399-D401 PolarHBondContact O-N 3.24Å; D401-I440 CarbonylContact C-O 3.59Å; D401-I440 WeakPolarHBondContact CA-O 3.4Å; D401-S441 VanDerWaalsContact OD1-CA 3.29Å; D401-S441 WeakPolarHBondContact OD1-CA 3.22Å; D401-S441 PolarHBondContact OD1-OG 3.36Å; D401-R442 PolarHBondContact OD1-N 3.2Å
402V98.9Very high98.3Very high0 Ų031.6 Ų31.60%019%0.187CC..EExtended strand (participates in β ladder)trans-135.1142.6-164-174.10000109.8I12 I30 I35 V58 I394 I440I12-V402 HydrophobicContact CD1-CB 4.31Å; I12-V402 HydrophobicContact CD1-CG1 3.64Å; I30-V402 HydrophobicContact CD1-CG2 4.27Å; I35-V402 HydrophobicContact CD1-CG2 4.12Å; V58-V402 HydrophobicContact CG1-CG1 3.47Å; V58-V402 VanDerWaalsContact CG1-CG1 3.47Å; I394-V402 HydrophobicContact CD1-CB 4.28Å; I394-V402 HydrophobicContact CD1-CG1 3.95Å; I394-V402 HydrophobicContact CD1-CG2 3.67Å; V402-I440 HydrophobicContact CB-CB 4.41Å; V402-I440 PolarHBondContact N-O 3.2Å; V402-I440 WeakPolarHBondContact O-CB 3.2Å; V402-I440 PolarHBondContact O-N 3.48Å
403V98.9Very high98.3Very high0 Ų031.6 Ų31.60%019%0.186CC..EExtended strand (participates in β ladder)trans-119.8129.8173.1178.10000109.3I59 G93 W405 P436 V438 T439I59-V403 HydrophobicContact CD1-CB 4.32Å; I59-V403 HydrophobicContact CD1-CG1 4.48Å; I59-V403 HydrophobicContact CG1-CB 3.86Å; I59-V403 HydrophobicContact CG1-CG1 4.39Å; I59-V403 PolarHBondContact N-O 3.42Å; I59-V403 PolarHBondContact O-N 3.1Å; G93-V403 WeakPolarHBondContact O-CG2 3.47Å; V403-W405 HydrophobicContact CG1-CB 4.37Å; V403-W405 HydrophobicContact CG1-CE3 4.05Å; V403-P436 HydrophobicContact CG1-CB 3.83Å; V403-V438 CarbonylContact C-O 3.48Å; V403-V438 WeakPolarHBondContact CA-O 3.45Å; V403-T439 HydrophobicContact CG2-CG2 4.16Å
404V98.8Very high98.2Very high1 Ų131 Ų311%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-87.5109.9164.1-177.90000106.9I12 I51 A53 K56 L57 L437 V438I12-V404 HydrophobicContact CD1-CG2 4.3Å; I12-V404 HydrophobicContact CG2-CG2 3.85Å; I51-V404 HydrophobicContact CG2-CG2 4.06Å; A53-V404 HydrophobicContact CB-CG1 3.86Å; K56-V404 HydrophobicContact CB-CG1 3.87Å; K56-V404 HydrophobicContact CG-CG1 4.27Å; L57-V404 CarbonylContact O-C 3.49Å; L57-V404 WeakPolarHBondContact O-CA 3.43Å; V404-L437 PolarHBondContact O-N 3.31Å; V404-V438 HydrophobicContact CB-CB 4Å; V404-V438 HydrophobicContact CB-CG2 4.24Å; V404-V438 HydrophobicContact CG2-CB 4.16Å; V404-V438 PolarHBondContact N-O 3.21Å; V404-V438 PolarHBondContact O-N 3.18Å
405W98.8Very high98.2Very high0 Ų032.2 Ų32.20%020%0.198CC..EExtended strand (participates in β ladder)trans-109.9125.7-170.3-175.4-94.8000110.3L57 I59 M355 S356 W359 F373 V403 P407 G434 P436L57-W405 HydrophobicContact CB-CB 4.27Å; L57-W405 PolarHBondContact N-O 2.98Å; L57-W405 PolarHBondContact O-N 2.97Å; I59-W405 HydrophobicContact CD1-CB 3.93Å; I59-W405 HydrophobicContact CD1-CD2 4.22Å; I59-W405 HydrophobicContact CD1-CE3 4.26Å; I59-W405 HydrophobicContact CD1-CG 4.11Å; I59-W405 HydrophobicContact CG1-CB 4.21Å; M355-W405 HydrophobicContact CB-CH2 3.77Å; M355-W405 HydrophobicContact CB-CZ3 3.93Å; S356-W405 WeakPolarHBondContact OG-CH2 3.42Å; W359-W405 HydrophobicContact CB-CZ2 3.75Å; W359-W405 AromaticContact CD2-CE2 3.98Å; W359-W405 HydrophobicContact CD2-CZ2 4.09Å; W359-W405 AromaticContact CD2-NE1 3.33Å; W359-W405 VanDerWaalsContact CD2-NE1 3.33Å; W359-W405 AromaticContact CE2-NE1 3.55Å; W359-W405 HydrophobicContact CE3-CZ2 4.35Å; W359-W405 AromaticContact CE3-NE1 3.47Å; W359-W405 AromaticContact CG-CZ2 3.82Å; W359-W405 HydrophobicContact CG-CZ2 3.82Å; W359-W405 AromaticContact CG-NE1 3.88Å; W359-W405 AromaticContact CZ2-NE1 3.93Å; W359-W405 AromaticContact CZ3-NE1 3.83Å; F373-W405 HydrophobicContact CZ-CZ2 4.47Å; V403-W405 HydrophobicContact CG1-CB 4.37Å; V403-W405 HydrophobicContact CG1-CE3 4.05Å; W405-P407 VanDerWaalsContact O-CD 3.3Å; W405-P407 WeakPolarHBondContact O-CD 3.34Å; W405-G434 VanDerWaalsContact CE2-C 3.45Å; W405-G434 VanDerWaalsContact CH2-O 3.22Å; W405-G434 WeakPolarHBondContact CH2-O 3.3Å; W405-G434 WeakPolarHBondContact CZ2-O 3.3Å; W405-G434 VanDerWaalsContact NE1-CA 3.3Å; W405-P436 HydrophobicContact CE3-CB 3.98Å; W405-P436 HydrophobicContact CZ3-CB 3.97Å; W405-P436 VanDerWaalsContact CZ3-CD 3.48Å; W405-P436 HydrophobicContact CZ3-CG 4.06Å
406D98.4Very high98.1Very high16 Ų1634.2 Ų34.29%0.08622%0.218CC..EExtended strand (participates in β ladder)trans-94106.5174.3-166.4-18.6000110.1K56 E408 A409 G434 V435 L437K56-D406 HydrophobicContact CD-CB 3.78Å; K56-D406 VanDerWaalsContact CE-OD2 3.28Å; K56-D406 WeakPolarHBondContact CE-OD2 3.44Å; K56-D406 IonicContact NZ-OD1 3.43Å; K56-D406 PolarHBondContact NZ-OD1 3.03Å; K56-D406 IonicContact NZ-OD2 2.88Å; K56-D406 PolarHBondContact NZ-OD2 3.36Å; D406-E408 VanDerWaalsContact C-N 3.26Å; D406-E408 PolarHBondContact O-N 2.9Å; D406-E408 PolarHBondContact OD1-N 3.34Å; D406-E408 VanDerWaalsContact OD1-N 3.13Å; D406-A409 HydrophobicContact CB-CB 3.72Å; D406-A409 VanDerWaalsContact CG-CB 3.42Å; D406-A409 PolarHBondContact OD1-N 3.43Å; D406-A409 WeakPolarHBondContact OD2-CB 3.36Å; D406-G434 CarbonylContact O-C 3.59Å; D406-G434 WeakPolarHBondContact O-CA 3.32Å; D406-V435 PolarHBondContact N-O 3.3Å; D406-V435 PolarHBondContact O-N 2.99Å; D406-L437 HydrophobicContact CB-CD1 3.76Å; D406-L437 HydrophobicContact CB-CD2 4.18Å; D406-L437 HydrophobicContact CB-CG 3.78Å
407P98.1Very high98Very high22 Ų2235.7 Ų35.714%0.14323%0.225CC..EExtended strand (participates in β ladder)trans-70.6-22.2-177.330.4-35.2000112.9L57 W359 W405L57-P407 HydrophobicContact CD1-CB 4.22Å; L57-P407 HydrophobicContact CD1-CG 4.35Å; L57-P407 HydrophobicContact CG-CG 4.15Å; W359-P407 HydrophobicContact CH2-CB 4.27Å; W359-P407 HydrophobicContact CZ2-CB 3.49Å; W359-P407 VanDerWaalsContact CZ2-CB 3.49Å; W405-P407 VanDerWaalsContact O-CD 3.3Å; W405-P407 WeakPolarHBondContact O-CD 3.34Å
408E97.1Very high97.9Very high150 Ų15034.3 Ų34.370%0.70120%0.204SC*.EExtended strand (participates in β ladder)trans-98.3-26.8-175.3-61.4-58.1134.100112.9D406D406-E408 VanDerWaalsContact C-N 3.26Å; D406-E408 PolarHBondContact O-N 2.9Å; D406-E408 PolarHBondContact OD1-N 3.34Å; D406-E408 VanDerWaalsContact OD1-N 3.13Å
409A97.4Very high97.8Very high28 Ų2836.4 Ų36.423%0.23122%0.217CC..EExtended strand (participates in β ladder)trans-62.9144175.100000110.6D406 H433 G434 V435D406-A409 HydrophobicContact CB-CB 3.72Å; D406-A409 VanDerWaalsContact CG-CB 3.42Å; D406-A409 PolarHBondContact OD1-N 3.43Å; D406-A409 WeakPolarHBondContact OD2-CB 3.36Å; A409-H433 CarbonylContact O-C 3.59Å; A409-H433 WeakPolarHBondContact O-CA 3.03Å; A409-G434 PolarHBondContact O-N 2.96Å; A409-G434 VanDerWaalsContact O-N 3.1Å; A409-V435 HydrophobicContact CB-CB 4.1Å; A409-V435 HydrophobicContact CB-CG2 4.03Å
410T97.7Very high97.7Very high56 Ų5635.9 Ų35.934%0.34421%0.214SC..EExtended strand (participates in β ladder)trans-119.1144177.466.40000111.9R431 C432 H433T410-R431 PolarHBondContact OG1-NE 3.39Å; T410-C432 CarbonylContact C-O 3.58Å; T410-C432 WeakPolarHBondContact CA-O 3.27Å; T410-H433 HydrophobicContact CG2-CB 4.35Å; T410-H433 WeakPolarHBondContact CG2-CD2 3.22Å
411K96.7Very high97.5Very high50 Ų5036.4 Ų36.422%0.21722%0.218CC..EExtended strand (participates in β ladder)trans-124.115216666.8175.3178.9175.80109.9D353 S356 R431 C432 V435D353-K411 IonicContact OD1-NZ 3.93Å; S356-K411 VanDerWaalsContact CB-CE 3.44Å; S356-K411 WeakPolarHBondContact OG-CE 3.41Å; S356-K411 PolarHBondContact OG-NZ 2.9Å; S356-K411 VanDerWaalsContact OG-NZ 3.16Å; K411-R431 WeakPolarHBondContact O-CA 3.39Å; K411-C432 PolarHBondContact N-O 3.31Å; K411-C432 PolarHBondContact O-N 3.12Å; K411-V435 HydrophobicContact CB-CG2 4.1Å; K411-V435 HydrophobicContact CD-CG2 4.44Å; K411-V435 HydrophobicContact CG-CG2 4.07Å
412T98.2Very high97.2Very high79 Ų7937 Ų3749%0.48523%0.227SC..EExtended strand (participates in β ladder)trans-102121.8168.4-56.60000107.6M430T412-M430 WeakPolarHBondContact CA-O 3.38Å
413I98.2Very high97.1Very high5 Ų541.1 Ų41.13%0.02625%0.249CC..  trans-71.2131.4179-63.1170.1000108.7D353 V357 N425 Y427 N429 M430D353-I413 HydrophobicContact CB-CD1 4.06Å; V357-I413 HydrophobicContact CG2-CD1 3.54Å; I413-N425 VanDerWaalsContact CG2-CG 3.5Å; I413-N425 VanDerWaalsContact CG2-ND2 3.35Å; I413-N425 WeakPolarHBondContact CG2-ND2 3.35Å; I413-N425 WeakPolarHBondContact CG2-OD1 3.26Å; I413-Y427 WeakPolarHBondContact CB-O 3.37Å; I413-Y427 HydrophobicContact CD1-CG 4.48Å; I413-N429 PolarHBondContact O-N 3.04Å; I413-M430 PolarHBondContact N-O 3.44Å
414S97.9Very high96.9Very high24 Ų2443.4 Ų43.417%0.16826%0.259CS..  trans-152.2138.3175.7-178.30000112.3S416 T417 Q418 E428S414-S416 PolarHBondContact O-N 2.92Å; S414-S416 PolarHBondContact OG-N 3.34Å; S414-S416 PolarHBondContact OG-OG 3.16Å; S414-T417 PolarHBondContact O-N 3.36Å; S414-T417 PolarHBondContact O-OG1 3.12Å; S414-T417 VanDerWaalsContact O-OG1 3.05Å; S414-Q418 PolarHBondContact O-N 2.86Å; S414-Q418 VanDerWaalsContact O-N 3.14Å; S414-E428 WeakPolarHBondContact CA-OE1 3.45Å; S414-E428 WeakPolarHBondContact CA-OE2 3.39Å; S414-E428 VanDerWaalsContact CB-OE1 3.27Å; S414-E428 WeakPolarHBondContact CB-OE1 3.43Å; S414-E428 PolarHBondContact OG-OE1 2.81Å
415A96.9Very high96.9Very high30 Ų3043.5 Ų43.525%0.24826%0.259CS..THydrogen-bonded Turntrans-55.9-28.3173.900000112.9T417 Q418 N425 E428A415-T417 PolarHBondContact O-N 3.42Å; A415-Q418 WeakPolarHBondContact O-CG 3.48Å; A415-N425 HydrophobicContact CB-CB 4.05Å; A415-E428 WeakPolarHBondContact CB-OE2 3.48Å; A415-E428 PolarHBondContact N-OE2 3.45Å
416S96.8Very high96.8Very high107 Ų10743.8 Ų43.875%0.74826%0.261SS*.THydrogen-bonded Turntrans-72.6-14.7177.871.90000113.9S414S414-S416 PolarHBondContact O-N 2.92Å; S414-S416 PolarHBondContact OG-N 3.34Å; S414-S416 PolarHBondContact OG-OG 3.16Å
417T96Very high96.8Very high98 Ų9843.3 Ų43.360%0.60126%0.258SS*.THydrogen-bonded Turntrans-119.6-2-178.362.20000113.1S414 A415S414-T417 PolarHBondContact O-N 3.36Å; S414-T417 PolarHBondContact O-OG1 3.12Å; S414-T417 VanDerWaalsContact O-OG1 3.05Å; A415-T417 PolarHBondContact O-N 3.42Å
418Q96.9Very high96.8Very high28 Ų2845.7 Ų45.713%0.13127%0.267CS..  trans-73154-179.280.3-175.70.400111.6S414 A415 Q420 G422 N425S414-Q418 PolarHBondContact O-N 2.86Å; S414-Q418 VanDerWaalsContact O-N 3.14Å; A415-Q418 WeakPolarHBondContact O-CG 3.48Å; Q418-Q420 HydrophobicContact CB-CG 4.22Å; Q418-Q420 HydrophobicContact CG-CG 4.15Å; Q418-Q420 WeakPolarHBondContact CG-O 3.48Å; Q418-G422 PolarHBondContact NE2-O 2.85Å; Q418-G422 VanDerWaalsContact NE2-O 3.08Å; Q418-N425 PolarHBondContact OE1-ND2 3.17Å
419V96.7Very high96.8Very high47 Ų4744.5 Ų44.529%0.28527%0.266SS..  trans-106.7-25.3175.1-176.90000110.8K87 V91K87-V419 HydrophobicContact CD-CG1 3.58Å; K87-V419 VanDerWaalsContact CE-CG1 3.49Å; K87-V419 HydrophobicContact CG-CG1 3.7Å; V91-V419 HydrophobicContact CG1-CG2 4.49Å; V91-V419 HydrophobicContact CG2-CG2 4.49Å
420Q96.3Very high96.9Very high5 Ų544.4 Ų44.42%0.02326%0.261CS..SBendtrans-62.9150.9170.373.1-168.4-7.100111.8A88 V351 Q352 D353 Q418 N425A88-Q420 HydrophobicContact CB-CB 3.69Å; V351-Q420 HydrophobicContact CG1-CB 4.48Å; Q352-Q420 HydrophobicContact CB-CB 4.26Å; Q352-Q420 HydrophobicContact CB-CG 4.39Å; D353-Q420 PolarHBondContact OD2-NE2 3.14Å; Q418-Q420 HydrophobicContact CB-CG 4.22Å; Q418-Q420 HydrophobicContact CG-CG 4.15Å; Q418-Q420 WeakPolarHBondContact CG-O 3.48Å; Q420-N425 PolarHBondContact NE2-ND2 3.25Å; Q420-N425 VanDerWaalsContact NE2-ND2 3.18Å
421G93.9Very high96.9Very high10 Ų1048.8 Ų48.810%0.10327%0.271CS..SBendtrans-71.4161.9-177.100000113.8D80 P328D80-G421 WeakPolarHBondContact OD1-CA 3.45Å; D80-G421 PolarHBondContact OD1-N 2.6Å; D80-G421 PolarHBondContact OD2-N 2.78Å; P328-G421 WeakPolarHBondContact CB-O 3.25Å
422G92.8Very high97Very high22 Ų2246.4 Ų46.423%0.22726%0.261CS..SBendtrans102.2161.4-173.500000112.1Q418Q418-G422 PolarHBondContact NE2-O 2.85Å; Q418-G422 VanDerWaalsContact NE2-O 3.08Å
423D96.1Very high97Very high85 Ų8545 Ų4546%0.45525%0.249SC..SBendtrans-105.711.7178.654.3-0000112.1T330 T331T330-D423 WeakPolarHBondContact CA-OD1 3.48Å; T331-D423 WeakPolarHBondContact CB-OD2 3.3Å; T331-D423 PolarHBondContact N-OD1 3.12Å; T331-D423 PolarHBondContact N-OD2 3.42Å; T331-D423 PolarHBondContact OG1-OD1 2.84Å; T331-D423 PolarHBondContact OG1-OD2 3.45Å
424F96.5Very high97Very high49 Ų4944.8 Ų44.822%0.21525%0.247CC..  trans-137.1146.5179.9-163.8-85.7000110.1H290 A293 Y294 L426H290-F424 AromaticContact ND1-CZ 3.79Å; A293-F424 HydrophobicContact CB-CB 4.28Å; A293-F424 HydrophobicContact CB-CD1 3.41Å; A293-F424 VanDerWaalsContact CB-CD1 3.41Å; A293-F424 HydrophobicContact CB-CD2 3.87Å; A293-F424 HydrophobicContact CB-CE1 3.57Å; A293-F424 HydrophobicContact CB-CE2 4.01Å; A293-F424 HydrophobicContact CB-CG 3.58Å; A293-F424 HydrophobicContact CB-CZ 3.87Å; Y294-F424 HydrophobicContact CD2-CE1 4.32Å; Y294-F424 AromaticContact CE2-CE1 3.57Å; Y294-F424 HydrophobicContact CE2-CE1 3.57Å; Y294-F424 AromaticContact CE2-CZ 3.69Å; Y294-F424 HydrophobicContact CE2-CZ 3.69Å; F424-L426 HydrophobicContact CD1-CD2 4.31Å; F424-L426 HydrophobicContact CE1-CD2 4.25Å
425N97.8Very high96.9Very high2 Ų244.7 Ų44.71%0.01125%0.246CC..  trans-124.5128170.2-166.4-53.4000109.7D353 I413 A415 Q418 Q420 Y427 E428D353-N425 PolarHBondContact OD2-ND2 3.47Å; I413-N425 VanDerWaalsContact CG2-CG 3.5Å; I413-N425 VanDerWaalsContact CG2-ND2 3.35Å; I413-N425 WeakPolarHBondContact CG2-ND2 3.35Å; I413-N425 WeakPolarHBondContact CG2-OD1 3.26Å; A415-N425 HydrophobicContact CB-CB 4.05Å; Q418-N425 PolarHBondContact OE1-ND2 3.17Å; Q420-N425 PolarHBondContact NE2-ND2 3.25Å; Q420-N425 VanDerWaalsContact NE2-ND2 3.18Å; N425-Y427 PolarHBondContact O-N 2.92Å; N425-Y427 PolarHBondContact OD1-N 3.3Å; N425-E428 PolarHBondContact O-N 3.49Å
426L97.6Very high97Very high7 Ų743.4 Ų43.44%0.03724%0.235CC..THydrogen-bonded Turntrans-64.9-21.7-178.8-58.1-175.4000113.7A274 L278 Y294 V348 F424A274-L426 HydrophobicContact CB-CD1 4.18Å; L278-L426 HydrophobicContact CD1-CB 3.81Å; L278-L426 HydrophobicContact CD1-CD1 3.93Å; L278-L426 HydrophobicContact CD1-CG 4.48Å; Y294-L426 HydrophobicContact CD1-CD2 3.8Å; Y294-L426 HydrophobicContact CD2-CD2 4.33Å; Y294-L426 HydrophobicContact CE1-CB 4.11Å; Y294-L426 HydrophobicContact CE1-CD2 3.93Å; Y294-L426 HydrophobicContact CE2-CD2 4.43Å; Y294-L426 HydrophobicContact CG-CD2 4.01Å; Y294-L426 PolarHBondContact OH-O 3.23Å; Y294-L426 VanDerWaalsContact OH-O 3.1Å; V348-L426 HydrophobicContact CB-CD1 3.5Å; V348-L426 VanDerWaalsContact CB-CD1 3.5Å; V348-L426 HydrophobicContact CB-CD2 4.43Å; V348-L426 HydrophobicContact CB-CG 4.27Å; V348-L426 HydrophobicContact CG1-CD1 3.79Å; V348-L426 HydrophobicContact CG1-CD2 4.17Å; V348-L426 HydrophobicContact CG1-CG 4.48Å; V348-L426 HydrophobicContact CG2-CD1 3.86Å; F424-L426 HydrophobicContact CD1-CD2 4.31Å; F424-L426 HydrophobicContact CE1-CD2 4.25Å
427Y97.9Very high97Very high5 Ų540.4 Ų40.42%0.0221%0.21CC..THydrogen-bonded Turntrans-110.224.9-175.7-43.4-75.5000111T273 A274 T277 L278 D353 V357 I413 N425 N429 M430T273-Y427 HydrophobicContact CG2-CE1 4.43Å; T273-Y427 WeakPolarHBondContact CG2-OH 3.3Å; A274-Y427 WeakPolarHBondContact CA-OH 3.47Å; A274-Y427 PolarHBondContact N-OH 2.87Å; T277-Y427 WeakPolarHBondContact OG1-CE1 3.34Å; L278-Y427 HydrophobicContact CD1-CD1 4.27Å; L278-Y427 HydrophobicContact CD1-CE1 3.68Å; L278-Y427 HydrophobicContact CD2-CD1 4.02Å; L278-Y427 HydrophobicContact CD2-CE1 4.02Å; L278-Y427 HydrophobicContact CG-CD1 4.35Å; L278-Y427 HydrophobicContact CG-CE1 3.84Å; D353-Y427 HydrophobicContact CB-CD2 4.03Å; D353-Y427 HydrophobicContact CB-CE2 4.3Å; V357-Y427 HydrophobicContact CG1-CD1 4.09Å; V357-Y427 HydrophobicContact CG1-CE1 3.87Å; V357-Y427 HydrophobicContact CG2-CD1 4.01Å; V357-Y427 HydrophobicContact CG2-CD2 4Å; V357-Y427 HydrophobicContact CG2-CE1 4.32Å; V357-Y427 HydrophobicContact CG2-CE2 4.32Å; V357-Y427 HydrophobicContact CG2-CG 3.84Å; I413-Y427 WeakPolarHBondContact CB-O 3.37Å; I413-Y427 HydrophobicContact CD1-CG 4.48Å; N425-Y427 PolarHBondContact O-N 2.92Å; N425-Y427 PolarHBondContact OD1-N 3.3Å; Y427-N429 PolarHBondContact O-N 2.9Å; Y427-M430 HydrophobicContact CD1-CE 3.8Å; Y427-M430 HydrophobicContact CD1-SD 4.47Å; Y427-M430 HydrophobicContact CG-CE 4.42Å; Y427-M430 WeakPolarHBondContact O-CB 3.48Å; Y427-M430 PolarHBondContact O-N 3.28Å
428E97.8Very high97.2Very high72 Ų7236 Ų3634%0.33618%0.183SC..THydrogen-bonded Turntrans-49.8130.9179.9-16864.4-147.100111.5S414 A415 N425 M430S414-E428 WeakPolarHBondContact CA-OE1 3.45Å; S414-E428 WeakPolarHBondContact CA-OE2 3.39Å; S414-E428 VanDerWaalsContact CB-OE1 3.27Å; S414-E428 WeakPolarHBondContact CB-OE1 3.43Å; S414-E428 PolarHBondContact OG-OE1 2.81Å; A415-E428 WeakPolarHBondContact CB-OE2 3.48Å; A415-E428 PolarHBondContact N-OE2 3.45Å; N425-E428 PolarHBondContact O-N 3.49Å; E428-M430 PolarHBondContact O-N 2.82Å
429N97.8Very high97.2Very high125 Ų12534.7 Ų34.767%0.66818%0.177SC*.THydrogen-bonded Turntrans64.67.1-175.6-55.3-59.5000115.7I413 Y427 R431I413-N429 PolarHBondContact O-N 3.04Å; Y427-N429 PolarHBondContact O-N 2.9Å; N429-R431 PolarHBondContact O-N 3.44Å
430M97.8Very high97.3Very high26 Ų2632.4 Ų32.413%0.12816%0.163CC..  trans-71116.1172.7-168.4175.9-58.400109.5V357 T412 I413 Y427 E428V357-M430 HydrophobicContact CG2-SD 4.4Å; T412-M430 WeakPolarHBondContact CA-O 3.38Å; I413-M430 PolarHBondContact N-O 3.44Å; Y427-M430 HydrophobicContact CD1-CE 3.8Å; Y427-M430 HydrophobicContact CD1-SD 4.47Å; Y427-M430 HydrophobicContact CG-CE 4.42Å; Y427-M430 WeakPolarHBondContact O-CB 3.48Å; Y427-M430 PolarHBondContact O-N 3.28Å; E428-M430 PolarHBondContact O-N 2.82Å
431R98.3Very high97.4Very high149 Ų14932.4 Ų32.456%0.56216%0.164SC*.EExtended strand (participates in β ladder)trans-79.5120.3168.1-175.5177.6174.2-146.5-6108.6T410 K411 N429T410-R431 PolarHBondContact OG1-NE 3.39Å; K411-R431 WeakPolarHBondContact O-CA 3.39Å; N429-R431 PolarHBondContact O-N 3.44Å
432C98.4Very high97.6Very high0 Ų035.5 Ų35.50%017%0.172CC..EExtended strand (participates in β ladder)trans-117.7133177.3-61.30000110.2E360 T410 K411E360-C432 HydrophobicContact CB-CB 4.01Å; E360-C432 HydrophobicContact CG-CB 4.41Å; T410-C432 CarbonylContact C-O 3.58Å; T410-C432 WeakPolarHBondContact CA-O 3.27Å; K411-C432 PolarHBondContact N-O 3.31Å; K411-C432 PolarHBondContact O-N 3.12Å
433H98.5Very high97.8Very high50 Ų5034.5 Ų34.523%0.23116%0.162CC..EExtended strand (participates in β ladder)trans-74.5165.4158-52.974.1000109.8W359 E360 V364 A409 T410W359-H433 VanDerWaalsContact CD1-O 3.23Å; E360-H433 IonicContact OE1-ND1 3.18Å; E360-H433 IonicContact OE2-CE1 2.94Å; E360-H433 IonicContact OE2-CG 2.8Å; E360-H433 PolarHBondContact OE2-N 2.97Å; E360-H433 IonicContact OE2-ND1 2.7Å; E360-H433 PolarHBondContact OE2-ND1 3.03Å; V364-H433 HydrophobicContact CG2-CB 3.89Å; A409-H433 CarbonylContact O-C 3.59Å; A409-H433 WeakPolarHBondContact O-CA 3.03Å; T410-H433 HydrophobicContact CG2-CB 4.35Å; T410-H433 WeakPolarHBondContact CG2-CD2 3.22Å
434G97.5Very high97.8Very high0 Ų037.1 Ų37.10%017%0.166CC..EExtended strand (participates in β ladder)trans80.594.7-178.100000111.3S356 W405 D406 A409S356-G434 PolarHBondContact OG-O 3.07Å; W405-G434 VanDerWaalsContact CE2-C 3.45Å; W405-G434 VanDerWaalsContact CH2-O 3.22Å; W405-G434 WeakPolarHBondContact CH2-O 3.3Å; W405-G434 WeakPolarHBondContact CZ2-O 3.3Å; W405-G434 VanDerWaalsContact NE1-CA 3.3Å; D406-G434 CarbonylContact O-C 3.59Å; D406-G434 WeakPolarHBondContact O-CA 3.32Å; A409-G434 PolarHBondContact O-N 2.96Å; A409-G434 VanDerWaalsContact O-N 3.1Å
435V97.5Very high97.9Very high22 Ų2235.9 Ų35.913%0.13316%0.162CC..EExtended strand (participates in β ladder)trans-118.8129.2-179.4179.10000109.7D406 A409 K411 L437D406-V435 PolarHBondContact N-O 3.3Å; D406-V435 PolarHBondContact O-N 2.99Å; A409-V435 HydrophobicContact CB-CB 4.1Å; A409-V435 HydrophobicContact CB-CG2 4.03Å; K411-V435 HydrophobicContact CB-CG2 4.1Å; K411-V435 HydrophobicContact CD-CG2 4.44Å; K411-V435 HydrophobicContact CG-CG2 4.07Å; V435-L437 HydrophobicContact CG1-CD2 4.45Å; V435-L437 PolarHBondContact O-N 2.89Å
436P97.8Very high97.9Very high3 Ų336.1 Ų36.12%0.01916%0.163CC..EExtended strand (participates in β ladder)trans-69113.116928.8-30.8000108.3V91 V403 W405 Y447V91-P436 VanDerWaalsContact O-CG 3.27Å; V91-P436 WeakPolarHBondContact O-CG 3.43Å; V403-P436 HydrophobicContact CG1-CB 3.83Å; W405-P436 HydrophobicContact CE3-CB 3.98Å; W405-P436 HydrophobicContact CZ3-CB 3.97Å; W405-P436 VanDerWaalsContact CZ3-CD 3.48Å; W405-P436 HydrophobicContact CZ3-CG 4.06Å; P436-Y447 WeakPolarHBondContact O-CE1 3.34Å
437L97.9Very high97.9Very high43 Ų4337.2 Ų37.223%0.22517%0.167CC..EExtended strand (participates in β ladder)trans-83.5-40175.6-65-176.2000111.1K56 V404 D406 V435 E448 N449K56-L437 HydrophobicContact CD-CD1 4Å; K56-L437 HydrophobicContact CG-CD1 4.28Å; V404-L437 PolarHBondContact O-N 3.31Å; D406-L437 HydrophobicContact CB-CD1 3.76Å; D406-L437 HydrophobicContact CB-CD2 4.18Å; D406-L437 HydrophobicContact CB-CG 3.78Å; V435-L437 HydrophobicContact CG1-CD2 4.45Å; V435-L437 PolarHBondContact O-N 2.89Å; L437-E448 WeakPolarHBondContact O-CA 3.49Å; L437-N449 PolarHBondContact O-N 2.99Å
438V98.6Very high97.9Very high6 Ų639.1 Ų39.14%0.03618%0.176CC..EExtended strand (participates in β ladder)trans-137.2129.4179.1-167.20000109.4I51 V403 V404 I440 V445 Y447 E448I51-V438 HydrophobicContact CD1-CG1 4.1Å; I51-V438 HydrophobicContact CG2-CG2 3.98Å; V403-V438 CarbonylContact C-O 3.48Å; V403-V438 WeakPolarHBondContact CA-O 3.45Å; V404-V438 HydrophobicContact CB-CB 4Å; V404-V438 HydrophobicContact CB-CG2 4.24Å; V404-V438 HydrophobicContact CG2-CB 4.16Å; V404-V438 PolarHBondContact N-O 3.21Å; V404-V438 PolarHBondContact O-N 3.18Å; V438-I440 HydrophobicContact CG1-CG1 4.19Å; V438-V445 HydrophobicContact CG1-CG1 3.71Å; V438-V445 HydrophobicContact CG1-CG2 4.5Å; V438-Y447 CarbonylContact C-O 3.57Å; V438-Y447 WeakPolarHBondContact CA-O 3.4Å; V438-Y447 WeakPolarHBondContact CG1-O 3.42Å; V438-E448 HydrophobicContact CG1-CB 4.48Å; V438-E448 HydrophobicContact CG2-CG 4.17Å
439T98.8Very high97.6Very high0 Ų041.3 Ų41.30%019%0.191CC..EExtended strand (participates in β ladder)trans-112.3126.1168.7-53.40000108.6L90 T95 V403 V446 Y447L90-T439 HydrophobicContact CD2-CG2 3.87Å; L90-T439 WeakPolarHBondContact O-CB 3.33Å; L90-T439 WeakPolarHBondContact O-CG2 3.48Å; L90-T439 PolarHBondContact O-OG1 3.02Å; T95-T439 HydrophobicContact CG2-CG2 3.64Å; V403-T439 HydrophobicContact CG2-CG2 4.16Å; T439-V446 HydrophobicContact CG2-CG2 4.06Å; T439-V446 VanDerWaalsContact O-CG2 3.24Å; T439-V446 WeakPolarHBondContact O-CG2 3.25Å; T439-V446 PolarHBondContact O-N 3.33Å; T439-Y447 PolarHBondContact N-O 3.49Å; T439-Y447 PolarHBondContact O-N 2.84Å
440I98.7Very high97.3Very high0 Ų038 Ų380%019%0.186CC..EExtended strand (participates in β ladder)trans-111.4127175.5-56.3174.8000107.2I10 I12 I30 I51 A400 D401 V402 V438 R444 V445I10-I440 HydrophobicContact CD1-CD1 4.29Å; I10-I440 HydrophobicContact CD1-CG2 4.21Å; I10-I440 HydrophobicContact CG2-CD1 4.16Å; I12-I440 HydrophobicContact CD1-CD1 3.78Å; I12-I440 HydrophobicContact CG1-CD1 4.2Å; I30-I440 HydrophobicContact CD1-CD1 4.03Å; I30-I440 HydrophobicContact CD1-CG2 4.42Å; I51-I440 HydrophobicContact CD1-CD1 3.83Å; A400-I440 WeakPolarHBondContact O-CG2 3.41Å; D401-I440 CarbonylContact C-O 3.59Å; D401-I440 WeakPolarHBondContact CA-O 3.4Å; V402-I440 HydrophobicContact CB-CB 4.41Å; V402-I440 PolarHBondContact N-O 3.2Å; V402-I440 WeakPolarHBondContact O-CB 3.2Å; V402-I440 PolarHBondContact O-N 3.48Å; V438-I440 HydrophobicContact CG1-CG1 4.19Å; I440-R444 CarbonylContact C-O 3.58Å; I440-R444 VanDerWaalsContact CA-O 3.25Å; I440-R444 WeakPolarHBondContact CA-O 3.39Å; I440-R444 WeakPolarHBondContact CG2-O 3.42Å; I440-V445 HydrophobicContact CG1-CG2 4.36Å
441S98.3Very high97.3Very high5 Ų540.9 Ų40.94%0.03521%0.205CC..EExtended strand (participates in β ladder)trans-126.2132.5171-177.30000109.7D401 G443 R444D401-S441 VanDerWaalsContact OD1-CA 3.29Å; D401-S441 WeakPolarHBondContact OD1-CA 3.22Å; D401-S441 PolarHBondContact OD1-OG 3.36Å; S441-G443 PolarHBondContact O-N 3.15Å; S441-G443 VanDerWaalsContact O-N 3.14Å; S441-R444 PolarHBondContact N-O 2.88Å; S441-R444 PolarHBondContact O-N 3.33Å
442R96.7Very high97.2Very high75 Ų7535.8 Ų35.828%0.28319%0.187SC..THydrogen-bonded Turntrans51.237-176.6-49.6-178.163.868.112.3112.5G33 D127 A400 D401 R444G33-R442 VanDerWaalsContact CA-O 3.32Å; G33-R442 WeakPolarHBondContact CA-O 3.45Å; D127-R442 VanDerWaalsContact OD1-CD 3.31Å; D127-R442 WeakPolarHBondContact OD1-CD 3.4Å; D127-R442 IonicContact OD1-CZ 3.94Å; D127-R442 IonicContact OD1-NE 2.81Å; D127-R442 IonicContact OD1-NH1 3.65Å; D127-R442 PolarHBondContact OD1-NH1 3.16Å; D127-R442 IonicContact OD2-NH1 3.62Å; D127-R442 PolarHBondContact OD2-NH1 3.24Å; A400-R442 PolarHBondContact O-N 3.41Å; D401-R442 PolarHBondContact OD1-N 3.2Å; R442-R444 VanDerWaalsContact C-N 3.29Å; R442-R444 PolarHBondContact O-N 3.29Å
443G97Very high97.1Very high1 Ų140.1 Ų40.11%0.0121%0.208CC..THydrogen-bonded Turntrans67.520.4-178.800000115.6V8 I10 A400 S441V8-G443 VanDerWaalsContact CG1-O 3.27Å; V8-G443 WeakPolarHBondContact CG1-O 3.32Å; I10-G443 VanDerWaalsContact CD1-O 3.24Å; I10-G443 WeakPolarHBondContact CD1-O 3.49Å; A400-G443 PolarHBondContact O-N 2.88Å; S441-G443 PolarHBondContact O-N 3.15Å; S441-G443 VanDerWaalsContact O-N 3.14Å
444R97.2Very high96.9Very high139 Ų13938.6 Ų38.653%0.52520%0.203SC..EExtended strand (participates in β ladder)trans-114.6137.2171.2-65.1-179.9177.980.5-0.6109.4I440 S441 R442 V446I440-R444 CarbonylContact C-O 3.58Å; I440-R444 VanDerWaalsContact CA-O 3.25Å; I440-R444 WeakPolarHBondContact CA-O 3.39Å; I440-R444 WeakPolarHBondContact CG2-O 3.42Å; S441-R444 PolarHBondContact N-O 2.88Å; S441-R444 PolarHBondContact O-N 3.33Å; R442-R444 VanDerWaalsContact C-N 3.29Å; R442-R444 PolarHBondContact O-N 3.29Å; R444-V446 HydrophobicContact CB-CG1 4.38Å; R444-V446 PolarHBondContact O-N 2.87Å
445V97.7Very high96.8Very high24 Ų2441.5 Ų41.515%0.14523%0.227CC..EExtended strand (participates in β ladder)trans-68.8112.3169.3-175.70000107.8I10 K49 I51 V438 I440 E448 M453I10-V445 HydrophobicContact CD1-CG2 3.78Å; K49-V445 HydrophobicContact CD-CG2 4.18Å; I51-V445 HydrophobicContact CD1-CG2 3.96Å; V438-V445 HydrophobicContact CG1-CG1 3.71Å; V438-V445 HydrophobicContact CG1-CG2 4.5Å; I440-V445 HydrophobicContact CG1-CG2 4.36Å; V445-E448 HydrophobicContact CG1-CB 3.85Å; V445-M453 HydrophobicContact CB-CE 4.49Å; V445-M453 HydrophobicContact CG1-CE 3.67Å
446V98.1Very high96.7Very high6 Ų646.3 Ų46.34%0.03625%0.248CC..EExtended strand (participates in β ladder)trans-107.4-16.8-176.6-670000112.5L90 T439 R444 M453 C454L90-V446 HydrophobicContact CB-CG2 4.43Å; L90-V446 HydrophobicContact CD1-CB 4.21Å; L90-V446 HydrophobicContact CD1-CG2 3.93Å; L90-V446 HydrophobicContact CD2-CG2 3.73Å; L90-V446 HydrophobicContact CG-CG2 4.25Å; T439-V446 HydrophobicContact CG2-CG2 4.06Å; T439-V446 VanDerWaalsContact O-CG2 3.24Å; T439-V446 WeakPolarHBondContact O-CG2 3.25Å; T439-V446 PolarHBondContact O-N 3.33Å; R444-V446 HydrophobicContact CB-CG1 4.38Å; R444-V446 PolarHBondContact O-N 2.87Å; V446-M453 PolarHBondContact O-N 3.44Å; V446-C454 HydrophobicContact CB-CB 3.94Å; V446-C454 HydrophobicContact CG1-CB 4.02Å; V446-C454 VanDerWaalsContact CG1-SG 3.53Å
447Y98.3Very high96.6Very high30 Ų3047 Ų4712%0.11826%0.255CS..EExtended strand (participates in β ladder)trans-148.7135171.8173.1-102.7000109.2V91 P436 V438 T439 G450 V451V91-Y447 HydrophobicContact CB-CD2 4.48Å; V91-Y447 HydrophobicContact CB-CE2 4.44Å; V91-Y447 HydrophobicContact CG1-CE2 4.05Å; V91-Y447 HydrophobicContact CG2-CD2 3.91Å; V91-Y447 HydrophobicContact CG2-CE2 4.11Å; P436-Y447 WeakPolarHBondContact O-CE1 3.34Å; V438-Y447 CarbonylContact C-O 3.57Å; V438-Y447 WeakPolarHBondContact CA-O 3.4Å; V438-Y447 WeakPolarHBondContact CG1-O 3.42Å; T439-Y447 PolarHBondContact N-O 3.49Å; T439-Y447 PolarHBondContact O-N 2.84Å; Y447-G450 WeakPolarHBondContact OH-CA 3.47Å; Y447-G450 PolarHBondContact OH-N 3.1Å; Y447-V451 WeakPolarHBondContact CA-O 3.33Å; Y447-V451 WeakPolarHBondContact CD2-O 3.26Å
448E97.5Very high96.5Very high45 Ų4547.4 Ų47.421%0.2126%0.259CS..EExtended strand (participates in β ladder)trans-152.6126.8178.6-177.5171-12300109.4K49 L437 V438 V445 G450 V451 M453K49-E448 WeakPolarHBondContact CE-OE1 3.43Å; K49-E448 IonicContact NZ-OE1 3.61Å; K49-E448 PolarHBondContact NZ-OE1 3.32Å; K49-E448 IonicContact NZ-OE2 3.71Å; K49-E448 PolarHBondContact NZ-OE2 3.1Å; L437-E448 WeakPolarHBondContact O-CA 3.49Å; V438-E448 HydrophobicContact CG1-CB 4.48Å; V438-E448 HydrophobicContact CG2-CG 4.17Å; V445-E448 HydrophobicContact CG1-CB 3.85Å; E448-G450 VanDerWaalsContact C-N 3.32Å; E448-G450 PolarHBondContact O-N 2.97Å; E448-V451 PolarHBondContact N-O 3.17Å; E448-V451 WeakPolarHBondContact O-CB 3.42Å; E448-V451 PolarHBondContact O-N 3.48Å; E448-M453 HydrophobicContact CB-CE 3.57Å
449N90.6Very high96.4Very high119 Ų11947.2 Ų47.264%0.63626%0.259SS*.THydrogen-bonded Turntrans49.745.6173.2-61.2-36000114.5L437 V451L437-N449 PolarHBondContact O-N 2.99Å; N449-V451 VanDerWaalsContact C-N 3.3Å; N449-V451 PolarHBondContact O-N 3.37Å
450G92.6Very high96.4Very high55 Ų5552 Ų5257%0.56728%0.28SS*.THydrogen-bonded Turntrans85-4.4179.600000115Y447 E448Y447-G450 WeakPolarHBondContact OH-CA 3.47Å; Y447-G450 PolarHBondContact OH-N 3.1Å; E448-G450 VanDerWaalsContact C-N 3.32Å; E448-G450 PolarHBondContact O-N 2.97Å
451V96.4Very high96.4Very high86 Ų8653.5 Ų53.552%0.52129%0.286SS..EExtended strand (participates in β ladder)trans-105.5119.1-177.6-174.20000110.6Y447 E448 N449 M453Y447-V451 WeakPolarHBondContact CA-O 3.33Å; Y447-V451 WeakPolarHBondContact CD2-O 3.26Å; E448-V451 PolarHBondContact N-O 3.17Å; E448-V451 WeakPolarHBondContact O-CB 3.42Å; E448-V451 PolarHBondContact O-N 3.48Å; N449-V451 VanDerWaalsContact C-N 3.3Å; N449-V451 PolarHBondContact O-N 3.37Å; V451-M453 HydrophobicContact CG1-CG 3.99Å
452F96.9Very high96.4Very high43 Ų4353.3 Ų53.319%0.18929%0.285CS..EExtended strand (participates in β ladder)trans-84.7132.1171.8-179.8-100.9000111K87 L90 V91 C125 C454K87-F452 HydrophobicContact CB-CE1 4.3Å; K87-F452 HydrophobicContact CB-CE2 4.07Å; K87-F452 HydrophobicContact CB-CZ 3.79Å; K87-F452 HydrophobicContact CD-CD1 4.07Å; K87-F452 HydrophobicContact CD-CE1 3.97Å; K87-F452 HydrophobicContact CD-CG 4.47Å; K87-F452 HydrophobicContact CD-CZ 4.29Å; K87-F452 HydrophobicContact CG-CD1 3.97Å; K87-F452 HydrophobicContact CG-CD2 3.9Å; K87-F452 HydrophobicContact CG-CE1 3.74Å; K87-F452 HydrophobicContact CG-CE2 3.69Å; K87-F452 HydrophobicContact CG-CG 4.01Å; K87-F452 HydrophobicContact CG-CZ 3.57Å; L90-F452 HydrophobicContact CB-CE2 4.22Å; L90-F452 HydrophobicContact CD1-CE2 3.91Å; V91-F452 HydrophobicContact CG2-CD2 4.14Å; C125-F452 HydrophobicContact CB-CZ 4.18Å; F452-C454 HydrophobicContact CE1-CB 3.87Å; F452-C454 WeakPolarHBondContact CE1-O 3.37Å; F452-C454 HydrophobicContact CE2-CB 3.65Å; F452-C454 HydrophobicContact CZ-CB 3.29Å
453M96.2Very high96.4Very high91 Ų9153.5 Ų53.545%0.44830%0.296SS..  trans-131.713.3-170-63178.6-76.600113.5V445 V446 E448 V451V445-M453 HydrophobicContact CB-CE 4.49Å; V445-M453 HydrophobicContact CG1-CE 3.67Å; V446-M453 PolarHBondContact O-N 3.44Å; E448-M453 HydrophobicContact CB-CE 3.57Å; V451-M453 HydrophobicContact CG1-CG 3.99Å
454C95Very high96.4Very high17 Ų1753.7 Ų53.712%0.11530%0.297CS..PPolyproline II helixtrans-90.7137.3-178.6-149.20000112.3L90 C125 V446 F452 T458L90-C454 HydrophobicContact CD1-CB 4.28Å; C125-C454 HydrophobicContact CB-CB 4.16Å; C125-C454 PolarHBondContact O-SG 3.21Å; C125-C454 VanDerWaalsContact O-SG 3.32Å; V446-C454 HydrophobicContact CB-CB 3.94Å; V446-C454 HydrophobicContact CG1-CB 4.02Å; V446-C454 VanDerWaalsContact CG1-SG 3.53Å; F452-C454 HydrophobicContact CE1-CB 3.87Å; F452-C454 WeakPolarHBondContact CE1-O 3.37Å; F452-C454 HydrophobicContact CE2-CB 3.65Å; F452-C454 HydrophobicContact CZ-CB 3.29Å; C454-T458 PolarHBondContact SG-OG1 3.03Å
455A94.6Very high96.4Very high61 Ų6155.4 Ų55.450%0.50430%0.303SS..PPolyproline II helixtrans-83.415216800000111T458A455-T458 HydrophobicContact CB-CG2 3.84Å; A455-T458 WeakPolarHBondContact O-CB 3.18Å; A455-T458 WeakPolarHBondContact O-CG2 3.37Å; A455-T458 PolarHBondContact O-OG1 3.17Å
456E95.4Very high96.3Very high123 Ų12356 Ų5658%0.57531%0.309SS*.THydrogen-bonded Turntrans-61.5147.3171.763.8-177.9-173.700111.9Y83 T458Y83-E456 HydrophobicContact CD2-CB 3.62Å; Y83-E456 HydrophobicContact CE2-CB 3.96Å; E456-T458 PolarHBondContact O-N 3.42Å
457G96.2Very high96.3Very high17 Ų1760.2 Ų60.218%0.17533%0.326CS..THydrogen-bonded Turntrans73.46.3178.100000115.5P122 V124 K460P122-G457 WeakPolarHBondContact O-CA 3.39Å; P122-G457 PolarHBondContact O-N 3.26Å; V124-G457 CarbonylContact O-C 3.31Å; V124-G457 WeakPolarHBondContact O-CA 3.46Å; V124-G457 PolarHBondContact O-N 2.93Å; G457-K460 PolarHBondContact O-NZ 3.11Å; G457-K460 VanDerWaalsContact O-NZ 3.09Å
458T95.5Very high96.2Very high52 Ų5258.8 Ų58.832%0.31932%0.321SS..  trans-71.8-34.6176.549.40000112.4V124 C125 C454 A455 E456V124-T458 PolarHBondContact O-N 3.24Å; C125-T458 PolarHBondContact O-OG1 2.95Å; C454-T458 PolarHBondContact SG-OG1 3.03Å; A455-T458 HydrophobicContact CB-CG2 3.84Å; A455-T458 WeakPolarHBondContact O-CB 3.18Å; A455-T458 WeakPolarHBondContact O-CG2 3.37Å; A455-T458 PolarHBondContact O-OG1 3.17Å; E456-T458 PolarHBondContact O-N 3.42Å
459G97.4Very high96Very high2 Ų260.9 Ų60.92%0.02133%0.334CS..SBendtrans-59.9158173.200000112.5V124 C126V124-G459 PolarHBondContact O-N 3.16Å; C126-G459 VanDerWaalsContact O-CA 3.25Å; C126-G459 WeakPolarHBondContact O-CA 3.4Å
460K98.1Very high95.9Very high101 Ų10158.4 Ų58.444%0.43932%0.322SS..  trans-128142.3177.3-59.7-65.3159.7-137.20111.9D127 Y128 G457 C462D127-K460 WeakPolarHBondContact CA-O 3.44Å; D127-K460 PolarHBondContact OD1-N 2.8Å; Y128-K460 PolarHBondContact N-O 3.45Å; G457-K460 PolarHBondContact O-NZ 3.11Å; G457-K460 VanDerWaalsContact O-NZ 3.09Å; K460-C462 PolarHBondContact O-N 3.42Å
461F98.5Very high95.9Very high31 Ų3155.8 Ų55.814%0.13630%0.296CS..BIsolated β-bridgetrans-61.4128.6166.6179.5-100.7000109.6Y113 R117 Y128 A129 L130 K152 P463Y113-F461 HydrophobicContact CE2-CE2 4.32Å; Y113-F461 HydrophobicContact CE2-CZ 4.19Å; Y113-F461 WeakPolarHBondContact OH-CE1 3.45Å; Y113-F461 WeakPolarHBondContact OH-CZ 3.47Å; R117-F461 VanDerWaalsContact CZ-CG 3.47Å; Y128-F461 HydrophobicContact CD1-CB 4.34Å; Y128-F461 HydrophobicContact CD2-CD2 4.44Å; Y128-F461 HydrophobicContact CE1-CB 3.68Å; Y128-F461 HydrophobicContact CE1-CD2 4.28Å; Y128-F461 AromaticContact CE2-CD2 3.97Å; Y128-F461 HydrophobicContact CE2-CD2 3.97Å; Y128-F461 AromaticContact CZ-CD2 3.88Å; Y128-F461 CarbonylContact O-C 3.52Å; Y128-F461 WeakPolarHBondContact O-CA 3.4Å; A129-F461 HydrophobicContact CB-CE2 4.47Å; L130-F461 HydrophobicContact CB-CE2 4.42Å; L130-F461 HydrophobicContact CD1-CE2 4.41Å; L130-F461 HydrophobicContact CG-CE2 4.22Å; K152-F461 WeakPolarHBondContact O-CE1 3.33Å; K152-F461 WeakPolarHBondContact O-CZ 3.43Å; F461-P463 HydrophobicContact CE1-CB 4.11Å; F461-P463 WeakPolarHBondContact O-CD 3.16Å
462C97.9Very high95.8Very high2 Ų252.2 Ų52.21%0.01427%0.273CS..  trans-102.1102178.1-73.10000109.2M96 Y128 K460 L464M96-C462 HydrophobicContact CE-CB 3.92Å; Y128-C462 PolarHBondContact O-N 2.92Å; K460-C462 PolarHBondContact O-N 3.42Å; C462-L464 WeakPolarHBondContact O-CD2 3.29Å; C462-L464 WeakPolarHBondContact O-CG 3.33Å; C462-L464 PolarHBondContact O-N 3.38Å
463P97.6Very high95.6Very high79 Ų7956.4 Ų56.451%0.51329%0.291SS..PPolyproline II helixtrans-63.5127174.326.3-33.3000109.8F461F461-P463 HydrophobicContact CE1-CB 4.11Å; F461-P463 WeakPolarHBondContact O-CD 3.16Å
464L97.7Very high95.3Very high4 Ų458.9 Ų58.92%0.02130%0.299CS..PPolyproline II helixtrans-99.5127-177.1-51-178.6000109.8A129 G153 N155 L385 L387 C462A129-L464 HydrophobicContact CB-CD1 3.74Å; A129-L464 HydrophobicContact CB-CD2 4.07Å; A129-L464 HydrophobicContact CB-CG 3.9Å; G153-L464 CarbonylContact C-O 3.52Å; G153-L464 PolarHBondContact O-N 2.87Å; N155-L464 HydrophobicContact CB-CB 3.97Å; N155-L464 WeakPolarHBondContact ND2-CB 3.5Å; N155-L464 VanDerWaalsContact OD1-CD1 3.26Å; N155-L464 WeakPolarHBondContact OD1-CD1 3.5Å; L385-L464 HydrophobicContact CB-CD1 4.3Å; L385-L464 HydrophobicContact CB-CD2 4.32Å; L385-L464 HydrophobicContact CD2-CD1 3.84Å; L387-L464 HydrophobicContact CD1-CD2 3.65Å; L387-L464 HydrophobicContact CD2-CD2 3.92Å; L387-L464 HydrophobicContact CG-CD2 3.77Å; C462-L464 WeakPolarHBondContact O-CD2 3.29Å; C462-L464 WeakPolarHBondContact O-CG 3.33Å; C462-L464 PolarHBondContact O-N 3.38Å
465R96.3Very high95.1Very high176 Ų17658.7 Ų58.766%0.66430%0.297SS*.PPolyproline II helixtrans-77.6141.6177.2-66.6-175.8-62176.52.1110.4N155 N386N155-R465 PolarHBondContact ND2-O 3.2Å; N386-R465 WeakPolarHBondContact CB-O 3.35Å; N386-R465 WeakPolarHBondContact ND2-CB 3.34Å; N386-R465 PolarHBondContact ND2-O 3.07Å
466S96.2Very high94.9Very high37 Ų3759 Ų5926%0.25929%0.293SS..SBendtrans-68.8173.7170.455.40000112.2I184 G185 N386I184-S466 VanDerWaalsContact O-CB 3.26Å; I184-S466 WeakPolarHBondContact O-CB 3.44Å; G185-S466 CarbonylContact O-C 3.1Å; G185-S466 WeakPolarHBondContact O-CA 3.26Å; G185-S466 WeakPolarHBondContact O-CB 3.39Å; N386-S466 PolarHBondContact ND2-O 3.09Å
467F96.6Very high94.6Very high94 Ų9458.3 Ų58.341%0.41229%0.289SS..SBendtrans54.954.5-177.3-57.5-85.8000113.9G185 D469 Y472G185-F467 VanDerWaalsContact CA-CE1 3.41Å; G185-F467 VanDerWaalsContact CA-CZ 3.47Å; G185-F467 PolarHBondContact O-N 3.01Å; F467-D469 PolarHBondContact O-N 3.34Å; F467-D469 VanDerWaalsContact O-N 3.12Å; F467-Y472 HydrophobicContact CB-CG 4.38Å; F467-Y472 AromaticContact CD1-CD1 3.65Å; F467-Y472 HydrophobicContact CD1-CD1 3.65Å; F467-Y472 AromaticContact CD1-CE1 3.94Å; F467-Y472 HydrophobicContact CD1-CE1 3.94Å; F467-Y472 HydrophobicContact CD1-CG 4.02Å; F467-Y472 HydrophobicContact CE1-CD1 4.21Å; F467-Y472 HydrophobicContact CE1-CE1 4.16Å
468P95.9Very high94.3Very high0 Ų060.7 Ų60.70%029%0.293CS..  trans-56.3121.6174.316.7-25.6000111I187 L384 N386 T470 V471 Y472I187-P468 HydrophobicContact CD1-CG 4.09Å; I187-P468 HydrophobicContact CG1-CG 3.91Å; L384-P468 VanDerWaalsContact O-CB 3.26Å; L384-P468 WeakPolarHBondContact O-CB 3.39Å; L384-P468 WeakPolarHBondContact O-CG 3.39Å; N386-P468 HydrophobicContact CB-CB 4.16Å; P468-T470 PolarHBondContact O-N 3.18Å; P468-T470 VanDerWaalsContact O-N 3.07Å; P468-V471 HydrophobicContact CG-CG2 3.87Å; P468-V471 PolarHBondContact O-N 2.97Å; P468-Y472 HydrophobicContact CG-CD2 4.09Å; P468-Y472 HydrophobicContact CG-CE2 4.32Å; P468-Y472 PolarHBondContact O-N 3.08Å
469D93.3Very high93.8Very high89 Ų8962.7 Ų62.748%0.47630%0.299SS..Hα-helixtrans-52.7-36-175.4-92.1-6.3000112.9F467 V471 K473F467-D469 PolarHBondContact O-N 3.34Å; F467-D469 VanDerWaalsContact O-N 3.12Å; D469-V471 PolarHBondContact O-N 2.77Å; D469-K473 HydrophobicContact CB-CD 3.88Å; D469-K473 HydrophobicContact CB-CG 4.28Å; D469-K473 VanDerWaalsContact CG-NZ 3.29Å; D469-K473 WeakPolarHBondContact O-CB 3.47Å; D469-K473 WeakPolarHBondContact O-CG 3.41Å; D469-K473 PolarHBondContact O-N 3.46Å; D469-K473 WeakPolarHBondContact OD1-CE 3.5Å; D469-K473 IonicContact OD1-NZ 3.27Å; D469-K473 WeakPolarHBondContact OD2-CE 3.19Å; D469-K473 IonicContact OD2-NZ 2.79Å; D469-K473 PolarHBondContact OD2-NZ 3.25Å
470T90.3Very high93.4Very high66 Ų6669.7 Ų69.741%0.40533%0.329SS..Hα-helixtrans-61.4-25.3-177.1-161.70000113.5K383 P468K383-T470 HydrophobicContact CB-CG2 4.31Å; K383-T470 WeakPolarHBondContact O-CG2 3.32Å; P468-T470 PolarHBondContact O-N 3.18Å; P468-T470 VanDerWaalsContact O-N 3.07Å
471V91.3Very high92.9Very high1 Ų169.3 Ų69.31%0.00634%0.335CS..Hα-helixtrans-114.7-37.3179.7-46.20000112.3P242 V266 L268 L384 P468 D469P242-V471 HydrophobicContact CB-CB 3.85Å; P242-V471 HydrophobicContact CB-CG2 3.88Å; P242-V471 HydrophobicContact CG-CB 4.33Å; P242-V471 HydrophobicContact CG-CG2 3.8Å; V266-V471 HydrophobicContact CG1-CB 4.31Å; L268-V471 HydrophobicContact CD1-CB 4.34Å; L268-V471 HydrophobicContact CD1-CG1 3.34Å; L384-V471 HydrophobicContact CD1-CG1 4.1Å; P468-V471 HydrophobicContact CG-CG2 3.87Å; P468-V471 PolarHBondContact O-N 2.97Å; D469-V471 PolarHBondContact O-N 2.77Å
472Y95.3Very high92.3Very high11 Ų1172.7 Ų72.74%0.04335%0.354CS..Hα-helixtrans-81.9-28.9-172.4-84.2-88.3000114.2C181 G185 A186 P242 F467 P468 K474 L475 V476C181-Y472 PolarHBondContact O-OH 3.1Å; C181-Y472 VanDerWaalsContact O-OH 3.09Å; G185-Y472 VanDerWaalsContact C-CZ 3.44Å; G185-Y472 VanDerWaalsContact CA-CZ 3.41Å; G185-Y472 VanDerWaalsContact CA-OH 3.25Å; G185-Y472 WeakPolarHBondContact CA-OH 3.4Å; G185-Y472 WeakPolarHBondContact O-CE2 3.48Å; A186-Y472 PolarHBondContact N-OH 3.08Å; A186-Y472 VanDerWaalsContact N-OH 3.07Å; A186-Y472 PolarHBondContact O-OH 3.43Å; P242-Y472 HydrophobicContact CG-CD2 4.47Å; P242-Y472 HydrophobicContact CG-CE1 4.48Å; P242-Y472 HydrophobicContact CG-CE2 3.82Å; F467-Y472 HydrophobicContact CB-CG 4.38Å; F467-Y472 AromaticContact CD1-CD1 3.65Å; F467-Y472 HydrophobicContact CD1-CD1 3.65Å; F467-Y472 AromaticContact CD1-CE1 3.94Å; F467-Y472 HydrophobicContact CD1-CE1 3.94Å; F467-Y472 HydrophobicContact CD1-CG 4.02Å; F467-Y472 HydrophobicContact CE1-CD1 4.21Å; F467-Y472 HydrophobicContact CE1-CE1 4.16Å; P468-Y472 HydrophobicContact CG-CD2 4.09Å; P468-Y472 HydrophobicContact CG-CE2 4.32Å; P468-Y472 PolarHBondContact O-N 3.08Å; Y472-K474 VanDerWaalsContact C-N 3.31Å; Y472-K474 PolarHBondContact O-N 3Å; Y472-L475 PolarHBondContact O-N 2.77Å; Y472-L475 VanDerWaalsContact O-N 3.1Å; Y472-V476 WeakPolarHBondContact O-CG2 3.38Å; Y472-V476 PolarHBondContact O-N 2.99Å
473K92.9Very high91.7Very high131 Ų13180.1 Ų80.157%0.5739%0.386SS*.Hα-helixtrans-57.1-43.9179.2-79.9176.7163.51610112.4D469 Q477D469-K473 HydrophobicContact CB-CD 3.88Å; D469-K473 HydrophobicContact CB-CG 4.28Å; D469-K473 VanDerWaalsContact CG-NZ 3.29Å; D469-K473 WeakPolarHBondContact O-CB 3.47Å; D469-K473 WeakPolarHBondContact O-CG 3.41Å; D469-K473 PolarHBondContact O-N 3.46Å; D469-K473 WeakPolarHBondContact OD1-CE 3.5Å; D469-K473 IonicContact OD1-NZ 3.27Å; D469-K473 WeakPolarHBondContact OD2-CE 3.19Å; D469-K473 IonicContact OD2-NZ 2.79Å; D469-K473 PolarHBondContact OD2-NZ 3.25Å; K473-Q477 PolarHBondContact O-N 3.46Å
474K89.3Confident91.2Very high143 Ų14382.5 Ų82.562%0.62240%0.399SS*.Hα-helixtrans-65.7-40.8176.7-68.9-178.9-179.3176.50111.7V266 Y472 Q477 R478V266-K474 HydrophobicContact CG2-CB 4.29Å; Y472-K474 VanDerWaalsContact C-N 3.31Å; Y472-K474 PolarHBondContact O-N 3Å; K474-Q477 PolarHBondContact O-N 3.49Å; K474-R478 WeakPolarHBondContact O-CG 3.36Å; K474-R478 PolarHBondContact O-N 3.14Å
475L90.5Very high90.8Very high12 Ų1292.6 Ų92.66%0.06344%0.437CS..Hα-helixtrans-69.5-44.5-177.8-71174.6000113.1P242 V266 Y472 Q477 R478 E479P242-L475 HydrophobicContact CB-CD1 3.6Å; P242-L475 HydrophobicContact CG-CD1 3.56Å; V266-L475 HydrophobicContact CB-CD2 3.99Å; V266-L475 HydrophobicContact CB-CG 4.28Å; V266-L475 HydrophobicContact CG1-CD1 4.37Å; V266-L475 HydrophobicContact CG1-CG 4.29Å; V266-L475 HydrophobicContact CG2-CD2 3.61Å; V266-L475 HydrophobicContact CG2-CG 3.97Å; Y472-L475 PolarHBondContact O-N 2.77Å; Y472-L475 VanDerWaalsContact O-N 3.1Å; L475-Q477 PolarHBondContact O-N 2.8Å; L475-R478 WeakPolarHBondContact O-CB 3.46Å; L475-R478 PolarHBondContact O-N 3.3Å; L475-E479 PolarHBondContact O-N 3.1Å
476V89.8Confident90.7Very high69 Ų6987.9 Ų87.942%0.41844%0.443SS..Hα-helixtrans-57.8-41.1176.2170.50000110.6Y472 K480Y472-V476 WeakPolarHBondContact O-CG2 3.38Å; Y472-V476 PolarHBondContact O-N 2.99Å; V476-K480 WeakPolarHBondContact O-CG 3.3Å; V476-K480 PolarHBondContact O-N 3.36Å
477Q90.8Very high90.6Very high107 Ų10790.7 Ų90.750%0.546%0.458SS..Hα-helixtrans-68.1-41.4176-172.158.523.900112K473 K474 L475 E479 K480 T481K473-Q477 PolarHBondContact O-N 3.46Å; K474-Q477 PolarHBondContact O-N 3.49Å; L475-Q477 PolarHBondContact O-N 2.8Å; Q477-E479 PolarHBondContact O-N 2.96Å; Q477-K480 WeakPolarHBondContact O-CB 3.46Å; Q477-K480 PolarHBondContact O-N 3.04Å; Q477-T481 PolarHBondContact O-N 3.45Å; Q477-T481 VanDerWaalsContact O-N 3.14Å; Q477-T481 PolarHBondContact O-OG1 3.34Å
478R88.8Confident90.5Very high67 Ų6794 Ų9425%0.25348%0.48SS..Hα-helixtrans-60.1-45.1177.2-81.4177.8171-165-7.2113.1G264 K474 L475 K480 T481 L482G264-R478 VanDerWaalsContact C-NH2 3.34Å; G264-R478 PolarHBondContact O-NH1 2.76Å; G264-R478 PolarHBondContact O-NH2 2.85Å; K474-R478 WeakPolarHBondContact O-CG 3.36Å; K474-R478 PolarHBondContact O-N 3.14Å; L475-R478 WeakPolarHBondContact O-CB 3.46Å; L475-R478 PolarHBondContact O-N 3.3Å; R478-K480 VanDerWaalsContact C-N 3.25Å; R478-K480 PolarHBondContact O-N 2.67Å; R478-T481 WeakPolarHBondContact CA-OG1 3.5Å; R478-T481 PolarHBondContact O-N 2.87Å; R478-T481 VanDerWaalsContact O-N 3.1Å; R478-T481 PolarHBondContact O-OG1 3.04Å; R478-L482 HydrophobicContact CB-CD1 4.29Å; R478-L482 HydrophobicContact CG-CD1 4.48Å; R478-L482 VanDerWaalsContact O-CB 3.31Å; R478-L482 WeakPolarHBondContact O-CB 3.33Å; R478-L482 WeakPolarHBondContact O-CG 3.31Å; R478-L482 PolarHBondContact O-N 3.19Å
479E85.7Confident90.5Very high95 Ų95102.4 Ų102.444%0.44451%0.512SS..Hα-helixtrans-60.6-37.4179.8-174.5167.4-162.600111.5K182 L475 Q477K182-E479 WeakPolarHBondContact CE-OE2 3.48Å; K182-E479 VanDerWaalsContact NZ-CD 3.3Å; K182-E479 IonicContact NZ-OE1 3.84Å; K182-E479 PolarHBondContact NZ-OE1 3.16Å; K182-E479 IonicContact NZ-OE2 2.76Å; K182-E479 PolarHBondContact NZ-OE2 2.86Å; L475-E479 PolarHBondContact O-N 3.1Å; Q477-E479 PolarHBondContact O-N 2.96Å
480K87.6Confident90.5Very high148 Ų148104.3 Ų104.364%0.64353%0.527SS*.Hα-helixtrans-65-43.5173.1-67.4174.1-176178.70112.2V476 Q477 R478V476-K480 WeakPolarHBondContact O-CG 3.3Å; V476-K480 PolarHBondContact O-N 3.36Å; Q477-K480 WeakPolarHBondContact O-CB 3.46Å; Q477-K480 PolarHBondContact O-N 3.04Å; R478-K480 VanDerWaalsContact C-N 3.25Å; R478-K480 PolarHBondContact O-N 2.67Å
481T88Confident90.7Very high93 Ų93106.3 Ų106.357%0.57154%0.541SS*.Hα-helixtrans-81-31.6-174.252.10000114.4Q477 R478Q477-T481 PolarHBondContact O-N 3.45Å; Q477-T481 VanDerWaalsContact O-N 3.14Å; Q477-T481 PolarHBondContact O-OG1 3.34Å; R478-T481 WeakPolarHBondContact CA-OG1 3.5Å; R478-T481 PolarHBondContact O-N 2.87Å; R478-T481 VanDerWaalsContact O-N 3.1Å; R478-T481 PolarHBondContact O-OG1 3.04Å
482L85.8Confident90.9Very high103 Ų103114.3 Ų114.354%0.53957%0.572SS.*SBendtrans-101.217.2-172.8-61.3176.4000112.8R478 V484R478-L482 HydrophobicContact CB-CD1 4.29Å; R478-L482 HydrophobicContact CG-CD1 4.48Å; R478-L482 VanDerWaalsContact O-CB 3.31Å; R478-L482 WeakPolarHBondContact O-CB 3.33Å; R478-L482 WeakPolarHBondContact O-CG 3.31Å; R478-L482 PolarHBondContact O-N 3.19Å; L482-V484 PolarHBondContact O-N 3.5Å
483K85.8Confident90.8Very high158 Ų158121.8 Ų121.869%0.68761%0.612SS**  trans-58.4113.9178.6-173.2175.4-177.2177.80110R485K483-R485 PolarHBondContact O-N 3.04Å
484V87Confident90.8Very high128 Ų128117.2 Ų117.278%0.77660%0.602SS**  trans-62.1135.4175.9-178.70000109.2L482L482-V484 PolarHBondContact O-N 3.5Å
485R90.1Very high90.9Very high217 Ų217117.8 Ų117.882%0.81961%0.612SS**  trans-120.2132175.8-60.4-177.4-172.3-174.20.9108.6K483K483-R485 PolarHBondContact O-N 3.04Å
486G93Very high90.9Very high77 Ų77123 Ų12379%0.79464%0.643SS**PPolyproline II helixtrans-62.3146.6165.600000109.5D488G486-D488 PolarHBondContact O-N 2.89Å
487V95.4Very high91Very high95 Ų95123.7 Ų123.758%0.57666%0.657SS**PPolyproline II helixtrans-77.3120.9166.5-179.10000106.8R489V487-R489 HydrophobicContact CB-CG 4.44Å; V487-R489 HydrophobicContact CG1-CG 3.93Å; V487-R489 PolarHBondContact O-N 3.1Å
488D93.6Very high90.7Very high163 Ų163125.2 Ų125.287%0.87267%0.673SS**PPolyproline II helixtrans-68.8118.2173.9-170.811.5000109.1G486G486-D488 PolarHBondContact O-N 2.89Å
489R95.8Very high90.3Very high178 Ų178126.8 Ų126.867%0.67269%0.69SS**  trans-132.7144.7-177.7-62.2-170.1-174.892-4108.5V487V487-R489 HydrophobicContact CB-CG 4.44Å; V487-R489 HydrophobicContact CG1-CG 3.93Å; V487-R489 PolarHBondContact O-N 3.1Å
490T94.1Very high90Very high129 Ų129128.4 Ų128.479%0.79171%0.706SS**PPolyproline II helixtrans-57.4141.2165.752.70000109.7Y492T490-Y492 PolarHBondContact O-N 3.06Å
491P93.7Very high89.1Confident107 Ų107128.6 Ų128.670%0.69571%0.709SS**PPolyproline II helixtrans-52.6141.8173.6-25.934.5000111.3L493P491-L493 PolarHBondContact O-N 3.19Å
492Y95.2Very high87.7Confident170 Ų170130.5 Ų130.567%0.66772%0.723SS**PPolyproline II helixtrans-67.4122.6174.9176.1-104000109.7T490 G494 D495 V496T490-Y492 PolarHBondContact O-N 3.06Å; Y492-G494 WeakPolarHBondContact CE1-O 3.46Å; Y492-G494 VanDerWaalsContact CZ-CA 3.45Å; Y492-D495 PolarHBondContact OH-O 3.09Å; Y492-D495 VanDerWaalsContact OH-O 3.06Å; Y492-V496 HydrophobicContact CD1-CG2 4.42Å; Y492-V496 HydrophobicContact CE1-CG2 4.11Å
493L93.8Very high86.1Confident167 Ų167128.8 Ų128.887%0.87473%0.73SS**  trans-103.8-1-178.8-62.5177.4000113.5P491P491-L493 PolarHBondContact O-N 3.19Å
494G93.5Very high84.2Confident35 Ų35131 Ų13136%0.36174%0.739SS.*SBendtrans-77.1167.3179.200000112.3Y492Y492-G494 WeakPolarHBondContact CE1-O 3.46Å; Y492-G494 VanDerWaalsContact CZ-CA 3.45Å
495D90.9Very high82.4Confident156 Ų156134.9 Ų134.983%0.83475%0.746SS**  trans-62.1149.2176.5-64.1-37.1000111.6Y492Y492-D495 PolarHBondContact OH-O 3.09Å; Y492-D495 VanDerWaalsContact OH-O 3.06Å
496V91.4Very high80.3Confident120 Ų120133.8 Ų133.873%0.72775%0.75SS**  trans-118.7132175.1-176.40000108.4Y492Y492-V496 HydrophobicContact CD1-CG2 4.42Å; Y492-V496 HydrophobicContact CE1-CG2 4.11Å
497A90.6Very high77.8Confident84 Ų84139.4 Ų139.469%0.69476%0.758SS**  trans-62.4139.6178.400000111.5V499A497-V499 PolarHBondContact O-N 3.15Å
498V84.4Confident75.2Confident139 Ų139138.5 Ų138.584%0.84277%0.767SS**  trans-71.9115.9174.7-1790000109.1
499V81.4Confident72.4Confident101 Ų101137.3 Ų137.361%0.61277%0.766SS**  trans-100.7114174.4-175.40000108.8A497 H501A497-V499 PolarHBondContact O-N 3.15Å; V499-H501 PolarHBondContact O-N 3.25Å; V499-H501 VanDerWaalsContact O-N 3.13Å
500V78.8Confident69.9Low128 Ų128133.8 Ų133.878%0.77677%0.767SS**  trans-75.9100.2172.8-174.10000107.8P502V500-P502 WeakPolarHBondContact O-CD 3.12Å
501H69.2Low67.1Low153 Ų153135.6 Ų135.671%0.70877%0.771SS**  trans-77.9118.8171.1-74.5-53.6000110V499 G503V499-H501 PolarHBondContact O-N 3.25Å; V499-H501 VanDerWaalsContact O-N 3.13Å; H501-G503 VanDerWaalsContact C-N 3.34Å; H501-G503 PolarHBondContact O-N 3.18Å
502P57.4Low64.4Low133 Ų133134.7 Ų134.786%0.86477%0.772SS**SBendtrans-74.193.2167.530.4-29.2000107.9V500V500-P502 WeakPolarHBondContact O-CD 3.12Å
503G53.7Low61.7Low66 Ų66134.3 Ų134.368%0.6878%0.781SS**  trans118.985.4165.600000115.5H501H501-G503 VanDerWaalsContact C-N 3.34Å; H501-G503 PolarHBondContact O-N 3.18Å
504K46.3Very low58.9Low204 Ų204132.7 Ų132.789%0.88778%0.779SS**  trans-158.495.5142.8-107.1173.9-174.8-179.30107.2E506K504-E506 PolarHBondContact O-N 3.5Å
505K49.2Very low56.3Low210 Ų210136.3 Ų136.391%0.91380%0.796SS**  trans-70.3113.4165.8-108.3-177.8175.2-179.50107M507K505-M507 PolarHBondContact O-N 3.44Å
506E45.8Very low53.7Low194 Ų194135 Ų13591%0.90779%0.794SS**  trans-60.6125.7168-69.8177.6148.400109.4K504K504-E506 PolarHBondContact O-N 3.5Å
507M39Very low51.2Low196 Ų196141.1 Ų141.197%0.96680%0.804SS**  trans-101.9105.1164-106.7-168.7-89.500107.8K505K505-M507 PolarHBondContact O-N 3.44Å
508G41.5Very low48.5Very low75 Ų75142.7 Ų142.777%0.77381%0.807SS**  trans-109.9122.8158.700000109.2
509T35.8Very low46.1Very low138 Ų138142.6 Ų142.685%0.84781%0.806SS**  trans-67.4162.8168.442.20000111.6
510P42.8Very low44.2Very low105 Ų105144.2 Ų144.268%0.68282%0.816SS**  cis-148.6170.335.440.1-18000118.8
511L35.6Very low42.1Very low167 Ų167148.1 Ų148.187%0.87482%0.817SS**  trans78.9136.4154.7-68.4151.1000120.8
512A35.5Very low40.6Very low87 Ų87149 Ų14972%0.71982%0.822SS**  trans87.6112.3162.900000119.8
513D38.2Very low39.5Very low162 Ų162146.8 Ų146.887%0.86682%0.823SS**  trans73.896.5146.7-56.9-16.7000121.8
514T35.9Very low38.9Very low133 Ų133147.3 Ų147.382%0.81683%0.828SS**  trans-66.3152.9152.122.60000112
515P39.5Very low38.7Very low111 Ų111146.9 Ų146.972%0.72183%0.832SS**  -152.2146.96239.4-17.3000120.4
516T36.3Very low38.4Very low130 Ų130147.9 Ų147.980%0.79883%0.83SS**  trans55.7115.8138.557.90000123.2
517R37.3Very low38.6Very low248 Ų248143.7 Ų143.794%0.93681%0.813SS**  -166159.7129.3-109.7-157.1158.5165.1-6.1111.7
518P35.4Very low39.1Very low116 Ų116142.2 Ų142.275%0.75381%0.808SS**  trans-103.3165.9-141.918.53.1000115.8
519V34.3Very low39.6Very low137 Ų137147.1 Ų147.183%0.8381%0.811SS**  trans-79.7136-167.7177.30000114.1
520T40.1Very low40.3Very low135 Ų135147.1 Ų147.183%0.82880%0.801SS**  trans-135.5104.4151.545.30000107.3
521R35.4Very low40.5Very low211 Ų211146.6 Ų146.680%0.79680%0.8SS**  83.511693.3-103.4-171.6-177.7-176.31115
522H38.5Very low40.8Very low172 Ų172144.4 Ų144.480%0.79680%0.799SS**  trans78.595.4157.4-58.2-67.2000120.3
523G34Very low41.2Very low86 Ų86148.7 Ų148.789%0.88780%0.801SS**  trans-122.592153.600000109.6
524G40.8Very low41.6Very low77 Ų77145.3 Ų145.379%0.79479%0.791SS**  trans-87.3124.5173.100000110.4R526G524-R526 PolarHBondContact O-N 3.19Å
525M41.7Very low41.9Very low195 Ų195145.6 Ų145.696%0.96179%0.786SS**  trans-66.9120.5176.2-158.8152.673.700109.1D527M525-D527 PolarHBondContact O-N 3.33Å
526R42.5Very low42.4Very low231 Ų231145.3 Ų145.387%0.87279%0.787SS**  trans-80.6115.1-177.4-151.6175.6-171.7173.41.5108.8G524G524-R526 PolarHBondContact O-N 3.19Å
527D49.6Very low43.3Very low106 Ų106142.1 Ų142.157%0.56778%0.78SS**  trans-72.5124.5170.3-167.1-17.9000108.9M525 H529M525-D527 PolarHBondContact O-N 3.33Å; D527-H529 VanDerWaalsContact C-N 3.26Å; D527-H529 PolarHBondContact O-N 3.27Å; D527-H529 PolarHBondContact OD1-N 2.79Å
528L49.4Very low44.7Very low164 Ų164135.7 Ų135.786%0.85977%0.773SS**THydrogen-bonded Turntrans-82.91.4-174.8-86.3155.6000113.1
529H54Low46.3Very low178 Ų178135.7 Ų135.782%0.82476%0.763SS**THydrogen-bonded Turntrans-101.9-1179-77-78000115.3D527D527-H529 VanDerWaalsContact C-N 3.26Å; D527-H529 PolarHBondContact O-N 3.27Å; D527-H529 PolarHBondContact OD1-N 2.79Å
530E48.8Very low47.8Very low138 Ų138137.8 Ų137.865%0.64577%0.768SS**  trans-101.579.7170.6-69.4-17117100110.4R170R170-E530 IonicContact NH1-OE1 2.89Å; R170-E530 PolarHBondContact NH1-OE1 3.35Å
531S46.8Very low49.3Very low95 Ų95135.8 Ų135.866%0.66475%0.752SS**  trans-126.894.8164.286.10000110.9F533S531-F533 PolarHBondContact O-N 3.49Å
532S42.9Very low50.8Low121 Ų121130.5 Ų130.585%0.84674%0.74SS**  trans-71.1103.8157.455.10000107.7S534S532-S534 PolarHBondContact O-N 3.42Å; S532-S534 VanDerWaalsContact O-N 3.15Å
533F44Very low52.5Low176 Ų176131 Ų13177%0.77274%0.742SS**  trans-73.7103.4177-139.6-91.9000108.6S531 L535S531-F533 PolarHBondContact O-N 3.49Å; F533-L535 HydrophobicContact CD1-CD2 4.32Å; F533-L535 HydrophobicContact CD1-CG 4.06Å; F533-L535 HydrophobicContact CE1-CD2 3.89Å; F533-L535 HydrophobicContact CE1-CG 4.14Å
534S46.5Very low54.3Low92 Ų92131.6 Ų131.664%0.64373%0.728SS**  trans-100.3114.4166.9167.90000108.4S532 S536S532-S534 PolarHBondContact O-N 3.42Å; S532-S534 VanDerWaalsContact O-N 3.15Å; S534-S536 VanDerWaalsContact C-N 3.34Å; S534-S536 PolarHBondContact O-N 3.12Å
535L42.8Very low55.5Low138 Ų138133.7 Ų133.772%0.72373%0.727SS**  trans-84.477.3172.9-79.1165.7000109.4F533F533-L535 HydrophobicContact CD1-CD2 4.32Å; F533-L535 HydrophobicContact CD1-CG 4.06Å; F533-L535 HydrophobicContact CE1-CD2 3.89Å; F533-L535 HydrophobicContact CE1-CG 4.14Å
536S48.9Very low56.3Low106 Ų106134.4 Ų134.474%0.74173%0.725SS**  trans-124.385.816665.60000109.4S534S534-S536 VanDerWaalsContact C-N 3.34Å; S534-S536 PolarHBondContact O-N 3.12Å
537G56.2Low57.1Low62 Ų62134.9 Ų134.964%0.63973%0.727SS**SBendtrans-169.8131.7174.400000109.6Q539G537-Q539 PolarHBondContact O-N 3.14Å
538S65.8Low57.3Low113 Ų113134.5 Ų134.579%0.7974%0.739SS**  trans-55.3127.217853.40000110.9D542S538-D542 WeakPolarHBondContact CA-OD2 3.42Å; S538-D542 WeakPolarHBondContact CB-OD2 3.32Å
539Q69.2Low57.5Low116 Ų116132.2 Ų132.254%0.54274%0.737SS.*  trans-90.2152.4177.3-69.5-170-29.600111G537 D541 D542G537-Q539 PolarHBondContact O-N 3.14Å; Q539-D541 WeakPolarHBondContact CB-OD1 3.36Å; Q539-D541 PolarHBondContact O-N 2.89Å; Q539-D542 PolarHBondContact N-OD2 3.03Å; Q539-D542 WeakPolarHBondContact O-CB 3.39Å; Q539-D542 VanDerWaalsContact O-CG 3.31Å; Q539-D542 PolarHBondContact O-N 2.99Å
540I65.5Low57.5Low182 Ų182128 Ų12893%0.93373%0.732SS**THydrogen-bonded Turntrans-60-15.1-173.9-105.8165.9000113.4
541D71.3Confident57.6Low93 Ų93132.4 Ų132.450%0.49774%0.743SS.*THydrogen-bonded Turntrans-110.49.518064.4-23.6000114.2Q539 H543 V544Q539-D541 WeakPolarHBondContact CB-OD1 3.36Å; Q539-D541 PolarHBondContact O-N 2.89Å; D541-H543 PolarHBondContact O-N 2.99Å; D541-V544 HydrophobicContact CB-CG2 4.09Å; D541-V544 WeakPolarHBondContact O-CB 3.03Å; D541-V544 PolarHBondContact O-N 3.32Å
542D68.6Low57.8Low100 Ų100134.9 Ų134.954%0.53575%0.747SS.*THydrogen-bonded Turntrans-59.4-15.7175.5-77.4-19.2000113.3S538 Q539S538-D542 WeakPolarHBondContact CA-OD2 3.42Å; S538-D542 WeakPolarHBondContact CB-OD2 3.32Å; Q539-D542 PolarHBondContact N-OD2 3.03Å; Q539-D542 WeakPolarHBondContact O-CB 3.39Å; Q539-D542 VanDerWaalsContact O-CG 3.31Å; Q539-D542 PolarHBondContact O-N 2.99Å
543H73.4Confident58.1Low183 Ų183136.6 Ų136.685%0.84775%0.746SS**THydrogen-bonded Turntrans-91.61175.3-61.9-55.9000114.3D541D541-H543 PolarHBondContact O-N 2.99Å
544V71.3Confident59Low98 Ų98132.3 Ų132.359%0.59474%0.743SS**SBendtrans-91123.3179.5-175.10000109.9D541 K546D541-V544 HydrophobicContact CB-CG2 4.09Å; D541-V544 WeakPolarHBondContact O-CB 3.03Å; D541-V544 PolarHBondContact O-N 3.32Å; V544-K546 PolarHBondContact O-N 2.96Å; V544-K546 VanDerWaalsContact O-N 3.12Å
545P65.6Low59.5Low120 Ų120132.9 Ų132.978%0.77975%0.745SS**PPolyproline II helixtrans-60.2118.3178.6-1929.6000110.9R547P545-R547 PolarHBondContact O-N 3.49Å; P545-R547 VanDerWaalsContact O-N 3.14Å
546K60.2Low60Low210 Ų210133 Ų13391%0.91375%0.753SS**PPolyproline II helixtrans-59.3117.4176-73.6-177.7178.3176.40109.8V544V544-K546 PolarHBondContact O-N 2.96Å; V544-K546 VanDerWaalsContact O-N 3.12Å
547R57.5Low59.9Low241 Ų241131.6 Ų131.691%0.90976%0.755SS**PPolyproline II helixtrans-58.7136.8168.6-118179.1-176.9176.91.3109.1P545 S549P545-R547 PolarHBondContact O-N 3.49Å; P545-R547 VanDerWaalsContact O-N 3.14Å; R547-S549 PolarHBondContact O-N 3.33Å
548A54.7Low59.3Low99 Ų99132.2 Ų132.282%0.81876%0.762SS**PPolyproline II helixtrans-50.8125.917800000111.1A550A548-A550 PolarHBondContact O-N 3.06Å
549S53.5Low58.4Low116 Ų116139.2 Ų139.281%0.81177%0.771SS**  trans-62.5114.6177.444.40000110.1R547 R551R547-S549 PolarHBondContact O-N 3.33Å; S549-R551 PolarHBondContact O-N 3.45Å
550A54.5Low57.6Low88 Ų88139.3 Ų139.373%0.72779%0.785SS**  trans-69.6117.4162.600000107.9A548 I552A548-A550 PolarHBondContact O-N 3.06Å; A550-I552 PolarHBondContact O-N 3.33Å
551R50.6Low57.3Low232 Ų232136.3 Ų136.388%0.87578%0.779SS**  trans-59.6108.7167.1-89.5-179173.9174.3-2.1108.4S549 L553S549-R551 PolarHBondContact O-N 3.45Å; R551-L553 PolarHBondContact O-N 3.28Å; R551-L553 VanDerWaalsContact O-N 3.09Å
552I51.9Low55.9Low146 Ų146135.2 Ų135.275%0.74979%0.791SS**  trans-7794.1167.6-58.9176.3000107.1A550A550-I552 PolarHBondContact O-N 3.33Å
553L47.6Very low55Low158 Ų158138 Ų13883%0.82780%0.804SS**  trans-82.7117.4160.1-95.3141.9000107R551R551-L553 PolarHBondContact O-N 3.28Å; R551-L553 VanDerWaalsContact O-N 3.09Å
554A63.9Low53.6Low85 Ų85144.5 Ų144.570%0.70282%0.821SS**  trans79.794.8178.100000116.6
555P57.8Low52.7Low105 Ų105146.8 Ų146.868%0.68283%0.832SS**  trans-66.7148.6162.128.4-31.7000110.5G557P555-G557 PolarHBondContact O-N 3.13Å; P555-G557 VanDerWaalsContact O-N 3.1Å
556P51.3Low52.1Low140 Ų140148.2 Ų148.291%0.90984%0.835SS**SBendtrans-72.5105.4177.12.512.7000109.3
557G48.5Very low51.6Low76 Ų76144.8 Ų144.878%0.78483%0.831SS**SBendtrans157.468.1177.500000114.5P555P555-G557 PolarHBondContact O-N 3.13Å; P555-G557 VanDerWaalsContact O-N 3.1Å
558G42.8Very low51.3Low75 Ų75139.1 Ų139.177%0.77383%0.826SS**  trans104.890.3156.900000116.6
559R46.4Very low51Low261 Ų261141.6 Ų141.699%0.98583%0.827SS**  trans-79.1122.1146.8-86.2179.6169.9175.9-3.1107.6
560S53.5Low50.9Low118 Ų118143.3 Ų143.383%0.82583%0.828SS**  trans-114.9119.8155.832.30000108.3
561S58.4Low50.6Low118 Ų118147.3 Ų147.383%0.82584%0.835SS**  trans-61137.5-179.543.60000112.4
562G42.4Very low50.6Low71 Ų71140.8 Ų140.873%0.73283%0.832SS**  trans-68.6156.1166.100000112.7
563I48.7Very low50.5Low159 Ų159140.3 Ų140.382%0.81584%0.839SS**  trans-137.9138.6145.9-60.9-179.4000105.2
564W45Very low50.8Low318 Ų318138.7 Ų138.7100%1.20584%0.84SS**  trans-220164.1-6984.6000117.5

Retrieved 564 of 564 residues in 230 ms (Link to these results)

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