TR12A_MOUSE Loading...

Tripartite motif-containing protein 12A

AlphaFold DB , UniProt , Accession Q99PQ1, Species MOUSE (Mus musculus, Mouse), Gene Trim12a, Length 284 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
1M45.1Very low76Confident219 Ų219108 Ų108100%1.07955%0.551SS**  0-49.80-63.8-168.5-155.600112.9S3 Q4 F5M1-S3 PolarHBondContact O-N 3.11Å; M1-Q4 PolarHBondContact O-N 3.24Å; M1-F5 PolarHBondContact O-N 2.98Å
2A59.3Low77.2Confident77 Ų77112 Ų11264%0.63657%0.566SS**Hα-helixtrans-55-41.5-178.100000114.7Q4 F5 M6A2-Q4 PolarHBondContact O-N 3.45Å; A2-F5 PolarHBondContact O-N 3Å; A2-M6 VanDerWaalsContact O-CG 3.27Å; A2-M6 WeakPolarHBondContact O-CG 3.31Å; A2-M6 PolarHBondContact O-N 3.19Å
3S69.5Low78.5Confident85 Ų85103.9 Ų103.959%0.59453%0.526SS*.Hα-helixtrans-65.9-36.7-179.2177.80000114M1 M6 K7M1-S3 PolarHBondContact O-N 3.11Å; S3-M6 PolarHBondContact O-N 3.39Å; S3-K7 WeakPolarHBondContact O-CG 3.47Å; S3-K7 PolarHBondContact O-N 2.57Å; S3-K7 VanDerWaalsContact O-N 3.1Å
4Q75.8Confident79.7Confident139 Ų13999.3 Ų99.365%0.6551%0.505SS*.Hα-helixtrans-74.4-40.5180-169.9158.23.600110.7M1 A2 M6 K7 N8M1-Q4 PolarHBondContact O-N 3.24Å; A2-Q4 PolarHBondContact O-N 3.45Å; Q4-M6 VanDerWaalsContact C-N 3.3Å; Q4-M6 PolarHBondContact O-N 3.25Å; Q4-K7 PolarHBondContact O-N 3.19Å; Q4-N8 VanDerWaalsContact O-CG 3.26Å; Q4-N8 PolarHBondContact O-N 3.24Å; Q4-N8 PolarHBondContact O-OD1 3.25Å; Q4-N8 VanDerWaalsContact O-OD1 3.13Å
5F79.3Confident80.8Confident131 Ų13192.7 Ų92.758%0.57547%0.471SS*.Hα-helixtrans-55.6-44.4170.2-179.2-99.7000112.1M1 A2 K7 N8 L9M1-F5 PolarHBondContact O-N 2.98Å; A2-F5 PolarHBondContact O-N 3Å; F5-K7 PolarHBondContact O-N 3.44Å; F5-N8 PolarHBondContact O-N 3.45Å; F5-L9 HydrophobicContact CE1-CD1 4.22Å; F5-L9 HydrophobicContact CZ-CD1 4.03Å; F5-L9 WeakPolarHBondContact O-CB 3.33Å; F5-L9 PolarHBondContact O-N 3.07Å
6M78.7Confident81.6Confident37 Ų3791.1 Ų91.118%0.18247%0.469CS..Hα-helixtrans-67.4-31.8177.7-70.5-61.2-68.500113.8A2 S3 Q4 K10 L80 F83A2-M6 VanDerWaalsContact O-CG 3.27Å; A2-M6 WeakPolarHBondContact O-CG 3.31Å; A2-M6 PolarHBondContact O-N 3.19Å; S3-M6 PolarHBondContact O-N 3.39Å; Q4-M6 VanDerWaalsContact C-N 3.3Å; Q4-M6 PolarHBondContact O-N 3.25Å; M6-K10 WeakPolarHBondContact O-CG 3.24Å; M6-K10 PolarHBondContact O-N 3.49Å; M6-K10 VanDerWaalsContact O-N 3.16Å; M6-L80 HydrophobicContact CE-CD2 3.46Å; M6-L80 VanDerWaalsContact CE-CD2 3.46Å; M6-L80 HydrophobicContact SD-CD2 4.45Å; M6-F83 HydrophobicContact CE-CB 4.03Å; M6-F83 HydrophobicContact CE-CD1 3.53Å; M6-F83 HydrophobicContact CE-CD2 4.27Å; M6-F83 HydrophobicContact CE-CE1 4.02Å; M6-F83 HydrophobicContact CE-CG 3.66Å; M6-F83 HydrophobicContact SD-CE1 4.48Å
7K79.7Confident82.4Confident132 Ų13289.5 Ų89.557%0.57446%0.464SS*.Hα-helixtrans-66.9-51.6172.9-76.3-177.3180-1750110.5S3 Q4 F5 L9 K10 E11S3-K7 WeakPolarHBondContact O-CG 3.47Å; S3-K7 PolarHBondContact O-N 2.57Å; S3-K7 VanDerWaalsContact O-N 3.1Å; Q4-K7 PolarHBondContact O-N 3.19Å; F5-K7 PolarHBondContact O-N 3.44Å; K7-L9 VanDerWaalsContact C-N 3.28Å; K7-L9 PolarHBondContact O-N 3.12Å; K7-K10 WeakPolarHBondContact O-CB 3.48Å; K7-K10 PolarHBondContact O-N 2.8Å; K7-E11 PolarHBondContact O-N 3.23Å
8N84.6Confident83.1Confident79 Ų7987 Ų8742%0.42246%0.455SS..Hα-helixtrans-56.6-44.1177.9-626.1000110.6Q4 F5 K10 E11 E12Q4-N8 VanDerWaalsContact O-CG 3.26Å; Q4-N8 PolarHBondContact O-N 3.24Å; Q4-N8 PolarHBondContact O-OD1 3.25Å; Q4-N8 VanDerWaalsContact O-OD1 3.13Å; F5-N8 PolarHBondContact O-N 3.45Å; N8-K10 VanDerWaalsContact C-N 3.33Å; N8-K10 PolarHBondContact O-N 3.47Å; N8-E11 PolarHBondContact O-N 3.45Å; N8-E12 WeakPolarHBondContact O-CG 3.48Å; N8-E12 PolarHBondContact O-N 2.75Å
9L86.9Confident83.7Confident56 Ų5689.5 Ų89.529%0.29347%0.468SS..Hα-helixtrans-65.1-32.6178.5-156.5107.1000113.3F5 K7 I76 L80F5-L9 HydrophobicContact CE1-CD1 4.22Å; F5-L9 HydrophobicContact CZ-CD1 4.03Å; F5-L9 WeakPolarHBondContact O-CB 3.33Å; F5-L9 PolarHBondContact O-N 3.07Å; K7-L9 VanDerWaalsContact C-N 3.28Å; K7-L9 PolarHBondContact O-N 3.12Å; L9-I76 HydrophobicContact CD2-CG2 4.26Å; L9-L80 HydrophobicContact CD2-CD1 3.93Å; L9-L80 HydrophobicContact CD2-CD2 3.54Å; L9-L80 HydrophobicContact CD2-CG 3.83Å
10K87.5Confident84.2Confident102 Ų10290.4 Ų90.444%0.44347%0.474SS..Hα-helixtrans-69.8-38.6175-79.7179.9-179.3-174.50111.7M6 K7 N8 E12 V13 T14 L80M6-K10 WeakPolarHBondContact O-CG 3.24Å; M6-K10 PolarHBondContact O-N 3.49Å; M6-K10 VanDerWaalsContact O-N 3.16Å; K7-K10 WeakPolarHBondContact O-CB 3.48Å; K7-K10 PolarHBondContact O-N 2.8Å; N8-K10 VanDerWaalsContact C-N 3.33Å; N8-K10 PolarHBondContact O-N 3.47Å; K10-E12 VanDerWaalsContact C-N 3.33Å; K10-V13 PolarHBondContact O-N 3.17Å; K10-T14 PolarHBondContact O-N 3.11Å; K10-T14 PolarHBondContact O-OG1 3.12Å; K10-L80 HydrophobicContact CG-CD1 4.1Å; K10-L80 HydrophobicContact CG-CD2 4.4Å
11E89.2Confident84.6Confident131 Ų13188.4 Ų88.461%0.61246%0.463SS*.Hα-helixtrans-61.3-42.8176.8-70.7170-169.800111K7 N8 V13 T14K7-E11 PolarHBondContact O-N 3.23Å; N8-E11 PolarHBondContact O-N 3.45Å; E11-V13 PolarHBondContact O-N 3.47Å; E11-V13 VanDerWaalsContact O-N 3.15Å; E11-T14 WeakPolarHBondContact O-CB 3.36Å; E11-T14 PolarHBondContact O-N 2.95Å; E11-T14 VanDerWaalsContact O-N 3.08Å
12E90.9Very high87Confident156 Ų15678.5 Ų78.573%0.72942%0.415SS*.Hα-helixtrans-61-24.4178.3-67-58.5152.700114.6N8 K10N8-E12 WeakPolarHBondContact O-CG 3.48Å; N8-E12 PolarHBondContact O-N 2.75Å; K10-E12 VanDerWaalsContact C-N 3.33Å
13V93.8Very high88.7Confident7 Ų779 Ų794%0.04241%0.41CS..THydrogen-bonded Turntrans-112.717.6178-58.30000113.2K10 E11 L21 M22 V73 I76 V77 L80K10-V13 PolarHBondContact O-N 3.17Å; E11-V13 PolarHBondContact O-N 3.47Å; E11-V13 VanDerWaalsContact O-N 3.15Å; V13-L21 HydrophobicContact CG2-CD2 3.75Å; V13-M22 WeakPolarHBondContact O-CG 3.36Å; V13-M22 PolarHBondContact O-N 3.17Å; V13-V73 HydrophobicContact CB-CG1 4.35Å; V13-V73 HydrophobicContact CG1-CG1 4.14Å; V13-I76 HydrophobicContact CG1-CB 4.32Å; V13-I76 HydrophobicContact CG1-CG2 3.79Å; V13-V77 HydrophobicContact CB-CG2 3.73Å; V13-V77 HydrophobicContact CG1-CG2 4.43Å; V13-V77 HydrophobicContact CG2-CG2 3.85Å; V13-L80 HydrophobicContact CG2-CD1 3.45Å; V13-L80 VanDerWaalsContact CG2-CD1 3.45Å
14T94.9Very high90Very high39 Ų3982.1 Ų82.124%0.23941%0.413CS..BIsolated β-bridgetrans-89.4132.7173.9-67.60000109.9K10 E11 P16 L19 M22K10-T14 PolarHBondContact O-N 3.11Å; K10-T14 PolarHBondContact O-OG1 3.12Å; E11-T14 WeakPolarHBondContact O-CB 3.36Å; E11-T14 PolarHBondContact O-N 2.95Å; E11-T14 VanDerWaalsContact O-N 3.08Å; T14-P16 WeakPolarHBondContact O-CD 3.36Å; T14-L19 VanDerWaalsContact CG2-C 3.45Å; T14-M22 WeakPolarHBondContact O-CE 3.32Å
15C96.6Very high91Very high0 Ų075.7 Ų75.70%038%0.383CS..  trans-68.5125.4177.7-176.80000110V17 L19 N20 M22 C35C15-V17 PolarHBondContact O-N 2.94Å; C15-V17 VanDerWaalsContact O-N 3.07Å; C15-L19 VanDerWaalsContact O-CA 3.3Å; C15-L19 WeakPolarHBondContact O-CA 3.49Å; C15-L19 PolarHBondContact O-N 2.78Å; C15-N20 PolarHBondContact N-O 2.74Å; C15-M22 HydrophobicContact CB-CG 3.83Å; C15-C35 WeakPolarHBondContact CB-SG 3.45Å; C15-C35 PolarHBondContact SG-N 3.34Å; C15-C35 VanDerWaalsContact SG-N 3.41Å
16P94.6Very high91.8Very high67 Ų6769.9 Ų69.944%0.43536%0.358SS..THydrogen-bonded Turntrans-69.8-6.5-179.829.9-37.5000113.4T14 F34 V57T14-P16 WeakPolarHBondContact O-CD 3.36Å; P16-F34 HydrophobicContact CG-CD1 3.53Å; P16-F34 HydrophobicContact CG-CE1 3.41Å; P16-F34 VanDerWaalsContact CG-CE1 3.41Å; P16-V57 HydrophobicContact CB-CG2 4.31Å; P16-V57 HydrophobicContact CG-CG2 4Å
17V93.8Very high92.7Very high64 Ų6469 Ų6939%0.38836%0.356SS..THydrogen-bonded Turntrans-94.6-49.1178.5-179.30000111.7C15 F34 C38C15-V17 PolarHBondContact O-N 2.94Å; C15-V17 VanDerWaalsContact O-N 3.07Å; V17-F34 HydrophobicContact CG2-CD1 3.94Å; V17-F34 HydrophobicContact CG2-CE1 4.46Å; V17-C38 HydrophobicContact CB-CB 3.96Å; V17-C38 HydrophobicContact CG1-CB 3.9Å
18C95.7Very high93.3Very high45 Ų4563 Ų6330%0.30433%0.331SS..THydrogen-bonded Turntrans-104-3-177.2700000114.6N20C18-N20 PolarHBondContact O-N 3.07Å; C18-N20 PolarHBondContact O-ND2 3.25Å
19L93.7Very high93.7Very high134 Ų13463.5 Ų63.570%0.70233%0.333SS*.SBendtrans56.222.3-179.7-51.5-179.3000114.6T14 C15T14-L19 VanDerWaalsContact CG2-C 3.45Å; C15-L19 VanDerWaalsContact O-CA 3.3Å; C15-L19 WeakPolarHBondContact O-CA 3.49Å; C15-L19 PolarHBondContact O-N 2.78Å
20N94.5Very high94Very high108 Ų10862.4 Ų62.458%0.57833%0.33SS*.SBendtrans-113.3161.2173.9-71.2-75.7000110.3C15 C18 M22C15-N20 PolarHBondContact N-O 2.74Å; C18-N20 PolarHBondContact O-N 3.07Å; C18-N20 PolarHBondContact O-ND2 3.25Å; N20-M22 PolarHBondContact O-N 2.92Å
21L92.5Very high94.3Very high48 Ų4860.1 Ų60.125%0.25134%0.335SS..BIsolated β-bridgetrans-51.6132.5171.5-68.2178000110.4V13 V23 V77 K81V13-L21 HydrophobicContact CG2-CD2 3.75Å; L21-V23 PolarHBondContact O-N 3.29Å; L21-V77 HydrophobicContact CB-CG1 4.01Å; L21-V77 HydrophobicContact CD1-CG1 4.41Å; L21-K81 HydrophobicContact CD1-CG 4.32Å
22M95Very high94.6Very high12 Ų1257 Ų576%0.05932%0.321CS..  trans-60.1127.7-172.4-68.3176.4-159.900112V13 T14 C15 N20 P25 T33 C35 V73V13-M22 WeakPolarHBondContact O-CG 3.36Å; V13-M22 PolarHBondContact O-N 3.17Å; T14-M22 WeakPolarHBondContact O-CE 3.32Å; C15-M22 HydrophobicContact CB-CG 3.83Å; N20-M22 PolarHBondContact O-N 2.92Å; M22-P25 HydrophobicContact CB-CB 4Å; M22-P25 HydrophobicContact CB-CG 4.46Å; M22-P25 HydrophobicContact SD-CB 4.06Å; M22-T33 WeakPolarHBondContact CE-O 3.29Å; M22-T33 HydrophobicContact SD-CG2 3.6Å; M22-C35 VanDerWaalsContact CA-SG 3.6Å; M22-V73 HydrophobicContact SD-CG1 3.87Å
23V95.3Very high94.9Very high88 Ų8850.6 Ų50.653%0.53329%0.292SS..SBendtrans-104.6123.2173.2179.70000108.3L21 C35L21-V23 PolarHBondContact O-N 3.29Å; V23-C35 PolarHBondContact N-SG 3.3Å; V23-C35 WeakPolarHBondContact O-CA 3.48Å; V23-C35 WeakPolarHBondContact O-CB 3.29Å
24K96.2Very high95Very high150 Ų15050.2 Ų50.265%0.65229%0.29SS*.SBendtrans48.263.3-173.4-61.9179.2179.5179.60111.1V26 Q36K24-V26 PolarHBondContact O-N 3.44Å; K24-Q36 HydrophobicContact CB-CB 4.08Å; K24-Q36 VanDerWaalsContact O-CB 3.31Å; K24-Q36 WeakPolarHBondContact O-CB 3.49Å; K24-Q36 PolarHBondContact O-N 3.44Å
25P96.8Very high95.1Very high4 Ų448.7 Ų48.73%0.02628%0.281CS..EExtended strand (participates in β ladder)trans-59.1134.5-176.820.2-30.6000112.4M22 T33 F34 N70 V73 A74M22-P25 HydrophobicContact CB-CB 4Å; M22-P25 HydrophobicContact CB-CG 4.46Å; M22-P25 HydrophobicContact SD-CB 4.06Å; P25-T33 HydrophobicContact CB-CG2 3.5Å; P25-T33 VanDerWaalsContact CB-CG2 3.5Å; P25-F34 CarbonylContact C-O 3.5Å; P25-F34 VanDerWaalsContact CA-O 3.25Å; P25-F34 WeakPolarHBondContact CA-O 3.48Å; P25-N70 WeakPolarHBondContact CG-O 3.34Å; P25-N70 PolarHBondContact O-N 3.32Å; P25-V73 HydrophobicContact CB-CB 4.09Å; P25-V73 HydrophobicContact CB-CG1 3.87Å; P25-V73 HydrophobicContact CG-CB 3.92Å; P25-V73 HydrophobicContact CG-CG1 3.89Å; P25-A74 HydrophobicContact CG-CB 3.76Å
26V97.1Very high95.1Very high8 Ų853.1 Ų53.15%0.04830%0.301CS..EExtended strand (participates in β ladder)trans-123.1136.9171.4-62.20000109.3K24 T33 F34 Q36 I39 R68K24-V26 PolarHBondContact O-N 3.44Å; V26-T33 CarbonylContact O-C 3.59Å; V26-T33 VanDerWaalsContact O-CA 3.31Å; V26-T33 WeakPolarHBondContact O-CA 3.17Å; V26-T33 WeakPolarHBondContact O-CG2 3.37Å; V26-F34 PolarHBondContact N-O 2.94Å; V26-F34 PolarHBondContact O-N 3.44Å; V26-Q36 HydrophobicContact CG1-CB 4.01Å; V26-Q36 HydrophobicContact CG1-CG 4.2Å; V26-I39 HydrophobicContact CG2-CG2 3.61Å; V26-R68 CarbonylContact C-O 3.53Å; V26-R68 WeakPolarHBondContact CA-O 3.4Å
27S96.3Very high95.2Very high20 Ų2052.1 Ų52.114%0.1430%0.303CS..EExtended strand (participates in β ladder)trans-104.5138.4-179.3-60.70000110.9H32 T33 L67 R68 N70S27-H32 WeakPolarHBondContact CA-O 3.29Å; S27-T33 PolarHBondContact OG-OG1 2.65Å; S27-L67 WeakPolarHBondContact O-CA 3.46Å; S27-R68 PolarHBondContact N-O 3.36Å; S27-R68 PolarHBondContact O-N 3.31Å; S27-N70 WeakPolarHBondContact OG-CB 3.5Å; S27-N70 PolarHBondContact OG-ND2 2.65Å
28A93.6Very high95.3Very high6 Ų650.2 Ų50.25%0.0529%0.292CS..  trans-84162.4167.500000111.2C30 G31 H32 F53 L67A28-C30 PolarHBondContact O-N 2.82Å; A28-C30 VanDerWaalsContact O-N 3.09Å; A28-G31 PolarHBondContact O-N 3.46Å; A28-H32 PolarHBondContact N-O 3.48Å; A28-F53 HydrophobicContact CB-CE1 3.89Å; A28-L67 HydrophobicContact CB-CD2 3.73Å
29D92.4Very high95.2Very high89 Ų8948.1 Ų48.148%0.47628%0.278SS..THydrogen-bonded Turntrans-61.3-19.6179.2-64.2-22.5000112.7G31 Y62 N66D29-G31 PolarHBondContact O-N 3.22Å; D29-Y62 HydrophobicContact CB-CD1 3.63Å; D29-Y62 HydrophobicContact CB-CE1 3.54Å; D29-Y62 HydrophobicContact CB-CG 4.21Å; D29-N66 WeakPolarHBondContact OD2-CB 3.47Å; D29-N66 PolarHBondContact OD2-ND2 3.49Å
30C93.9Very high95.1Very high32 Ų3243.9 Ų43.922%0.21626%0.258CS..THydrogen-bonded Turntrans-75.5-3.8170.161.60000114.9A28 H32 C58 I60 Y62A28-C30 PolarHBondContact O-N 2.82Å; A28-C30 VanDerWaalsContact O-N 3.09Å; C30-H32 PolarHBondContact O-N 2.9Å; C30-H32 PolarHBondContact SG-ND1 3.41Å; C30-C58 VanDerWaalsContact CB-SG 3.56Å; C30-I60 HydrophobicContact CB-CD1 4.32Å; C30-Y62 WeakPolarHBondContact CA-OH 3.47Å; C30-Y62 HydrophobicContact CB-CE2 3.84Å; C30-Y62 VanDerWaalsContact CB-OH 3.26Å; C30-Y62 WeakPolarHBondContact CB-OH 3.14Å; C30-Y62 PolarHBondContact N-OH 3.12Å
31G93.4Very high95.1Very high54 Ų5444.3 Ų44.356%0.55726%0.259SS*.SBendtrans89.5-16.6-177.300000115.7A28 D29 T33A28-G31 PolarHBondContact O-N 3.46Å; D29-G31 PolarHBondContact O-N 3.22Å; G31-T33 PolarHBondContact O-OG1 2.67Å
32H95.4Very high95Very high66 Ų6644.5 Ų44.531%0.30626%0.257SS..  trans-67.8140177.3-65.3102.6000111.9S27 A28 C30 F34 V57S27-H32 WeakPolarHBondContact CA-O 3.29Å; A28-H32 PolarHBondContact N-O 3.48Å; C30-H32 PolarHBondContact O-N 2.9Å; C30-H32 PolarHBondContact SG-ND1 3.41Å; H32-F34 HydrophobicContact CB-CE2 3.79Å; H32-F34 HydrophobicContact CB-CZ 3.67Å; H32-V57 HydrophobicContact CB-CG2 4.49Å; H32-V57 VanDerWaalsContact NE2-CG1 3.33Å; H32-V57 WeakPolarHBondContact NE2-CG1 3.46Å
33T96.6Very high94.7Very high21 Ų2146.3 Ų46.313%0.12927%0.265CS..EExtended strand (participates in β ladder)trans-121.9140.7-173.8-53.30000111.4M22 P25 V26 S27 G31 N70 V73M22-T33 WeakPolarHBondContact CE-O 3.29Å; M22-T33 HydrophobicContact SD-CG2 3.6Å; P25-T33 HydrophobicContact CB-CG2 3.5Å; P25-T33 VanDerWaalsContact CB-CG2 3.5Å; V26-T33 CarbonylContact O-C 3.59Å; V26-T33 VanDerWaalsContact O-CA 3.31Å; V26-T33 WeakPolarHBondContact O-CA 3.17Å; V26-T33 WeakPolarHBondContact O-CG2 3.37Å; S27-T33 PolarHBondContact OG-OG1 2.65Å; G31-T33 PolarHBondContact O-OG1 2.67Å; T33-N70 HydrophobicContact CG2-CB 4.27Å; T33-V73 HydrophobicContact CG2-CG1 4.44Å; T33-V73 HydrophobicContact CG2-CG2 4.45Å
34F96.8Very high94.3Very high0 Ų048.2 Ų48.20%027%0.268CS..EExtended strand (participates in β ladder)trans-139.5160.3-174.2-49.2-87.5000110.9P16 V17 P25 V26 H32 Q36 I39 F53 P56 V57P16-F34 HydrophobicContact CG-CD1 3.53Å; P16-F34 HydrophobicContact CG-CE1 3.41Å; P16-F34 VanDerWaalsContact CG-CE1 3.41Å; V17-F34 HydrophobicContact CG2-CD1 3.94Å; V17-F34 HydrophobicContact CG2-CE1 4.46Å; P25-F34 CarbonylContact C-O 3.5Å; P25-F34 VanDerWaalsContact CA-O 3.25Å; P25-F34 WeakPolarHBondContact CA-O 3.48Å; V26-F34 PolarHBondContact N-O 2.94Å; V26-F34 PolarHBondContact O-N 3.44Å; H32-F34 HydrophobicContact CB-CE2 3.79Å; H32-F34 HydrophobicContact CB-CZ 3.67Å; F34-Q36 PolarHBondContact O-N 2.9Å; F34-I39 HydrophobicContact CB-CB 4Å; F34-I39 HydrophobicContact CB-CD1 4.23Å; F34-I39 HydrophobicContact CB-CG1 4.35Å; F34-I39 HydrophobicContact CD1-CD1 4.08Å; F34-I39 HydrophobicContact CD2-CD1 3.87Å; F34-I39 HydrophobicContact CD2-CG1 4.15Å; F34-I39 HydrophobicContact CE1-CD1 4.43Å; F34-I39 HydrophobicContact CE2-CD1 4.26Å; F34-I39 HydrophobicContact CG-CB 4.45Å; F34-I39 HydrophobicContact CG-CD1 3.79Å; F34-I39 HydrophobicContact CG-CG1 4.27Å; F34-F53 HydrophobicContact CE2-CZ 4.5Å; F34-P56 HydrophobicContact CE1-CB 4.38Å; F34-P56 HydrophobicContact CE1-CG 4.01Å; F34-P56 HydrophobicContact CZ-CG 4.21Å; F34-V57 HydrophobicContact CE1-CG2 3.79Å; F34-V57 HydrophobicContact CZ-CG2 3.88Å
35C97.5Very high93.8Very high7 Ų745 Ų455%0.04726%0.264CS..EExtended strand (participates in β ladder)trans-61.1136.4164.5-58.80000109.7C15 M22 V23 G37 C38 I39C15-C35 WeakPolarHBondContact CB-SG 3.45Å; C15-C35 PolarHBondContact SG-N 3.34Å; C15-C35 VanDerWaalsContact SG-N 3.41Å; M22-C35 VanDerWaalsContact CA-SG 3.6Å; V23-C35 PolarHBondContact N-SG 3.3Å; V23-C35 WeakPolarHBondContact O-CA 3.48Å; V23-C35 WeakPolarHBondContact O-CB 3.29Å; C35-G37 VanDerWaalsContact C-N 3.3Å; C35-G37 PolarHBondContact O-N 3.03Å; C35-C38 HydrophobicContact CB-CB 3.87Å; C35-C38 PolarHBondContact O-N 3.49Å; C35-C38 VanDerWaalsContact O-N 3.11Å; C35-I39 PolarHBondContact O-N 3.31Å
36Q96.5Very high93.1Very high93 Ų9347.6 Ų47.644%0.43528%0.277SS..Hα-helixtrans-52-49175.9-174.6176.518.300111.9K24 V26 F34 C38 I39 T40K24-Q36 HydrophobicContact CB-CB 4.08Å; K24-Q36 VanDerWaalsContact O-CB 3.31Å; K24-Q36 WeakPolarHBondContact O-CB 3.49Å; K24-Q36 PolarHBondContact O-N 3.44Å; V26-Q36 HydrophobicContact CG1-CB 4.01Å; V26-Q36 HydrophobicContact CG1-CG 4.2Å; F34-Q36 PolarHBondContact O-N 2.9Å; Q36-C38 PolarHBondContact O-N 2.75Å; Q36-I39 PolarHBondContact O-N 2.69Å; Q36-T40 WeakPolarHBondContact O-CB 3.39Å; Q36-T40 PolarHBondContact O-N 2.93Å; Q36-T40 PolarHBondContact O-OG1 3.22Å
37G95.9Very high91.6Very high45 Ų4557 Ų5746%0.46432%0.317SS..Hα-helixtrans-62.9-39.7179.300000113.3C35 L41C35-G37 VanDerWaalsContact C-N 3.3Å; C35-G37 PolarHBondContact O-N 3.03Å; G37-L41 WeakPolarHBondContact O-CG 3.25Å; G37-L41 PolarHBondContact O-N 3.05Å; G37-L41 VanDerWaalsContact O-N 3.1Å
38C96.4Very high89.8Confident25 Ų2559.7 Ų59.717%0.16934%0.335CS..Hα-helixtrans-66.1-42.2-179.8-64.90000112.1V17 C35 Q36 Y42V17-C38 HydrophobicContact CB-CB 3.96Å; V17-C38 HydrophobicContact CG1-CB 3.9Å; C35-C38 HydrophobicContact CB-CB 3.87Å; C35-C38 PolarHBondContact O-N 3.49Å; C35-C38 VanDerWaalsContact O-N 3.11Å; Q36-C38 PolarHBondContact O-N 2.75Å; C38-Y42 WeakPolarHBondContact O-CB 3.47Å; C38-Y42 PolarHBondContact O-N 2.79Å
39I93.3Very high88.3Confident1 Ų167.9 Ų67.91%0.00538%0.378CS..Hα-helixtrans-77.1-30.3-177.3-152.263.4000112.4V26 F34 C35 Q36 Y42 F43 F53 P56 L67V26-I39 HydrophobicContact CG2-CG2 3.61Å; F34-I39 HydrophobicContact CB-CB 4Å; F34-I39 HydrophobicContact CB-CD1 4.23Å; F34-I39 HydrophobicContact CB-CG1 4.35Å; F34-I39 HydrophobicContact CD1-CD1 4.08Å; F34-I39 HydrophobicContact CD2-CD1 3.87Å; F34-I39 HydrophobicContact CD2-CG1 4.15Å; F34-I39 HydrophobicContact CE1-CD1 4.43Å; F34-I39 HydrophobicContact CE2-CD1 4.26Å; F34-I39 HydrophobicContact CG-CB 4.45Å; F34-I39 HydrophobicContact CG-CD1 3.79Å; F34-I39 HydrophobicContact CG-CG1 4.27Å; C35-I39 PolarHBondContact O-N 3.31Å; Q36-I39 PolarHBondContact O-N 2.69Å; I39-Y42 HydrophobicContact CD1-CD1 4.13Å; I39-Y42 PolarHBondContact O-N 3.15Å; I39-F43 WeakPolarHBondContact O-CB 3.46Å; I39-F43 PolarHBondContact O-N 2.9Å; I39-F53 HydrophobicContact CD1-CE2 3.51Å; I39-F53 HydrophobicContact CD1-CZ 3.75Å; I39-F53 HydrophobicContact CG1-CD2 4.48Å; I39-F53 HydrophobicContact CG1-CE2 3.52Å; I39-F53 HydrophobicContact CG1-CZ 3.83Å; I39-P56 HydrophobicContact CD1-CG 3.74Å; I39-L67 HydrophobicContact CG1-CD1 4.19Å; I39-L67 HydrophobicContact CG2-CD1 3.77Å
40T92.8Very high87Confident45 Ų4571.2 Ų71.228%0.27639%0.389SS..Hα-helixtrans-63.7-50.5171.4-62.70000111.2Q36 Y42 F43 E44Q36-T40 WeakPolarHBondContact O-CB 3.39Å; Q36-T40 PolarHBondContact O-N 2.93Å; Q36-T40 PolarHBondContact O-OG1 3.22Å; T40-Y42 VanDerWaalsContact C-N 3.29Å; T40-Y42 PolarHBondContact O-N 3.34Å; T40-F43 PolarHBondContact O-N 3.29Å; T40-F43 VanDerWaalsContact O-N 3.16Å; T40-E44 WeakPolarHBondContact O-CG 3.2Å; T40-E44 PolarHBondContact O-N 3.32Å
41L93Very high86.3Confident116 Ų11677.8 Ų77.861%0.60741%0.414SS*.Hα-helixtrans-60.3-40.4176.2-71.3172.4000111.9G37 E44 S45G37-L41 WeakPolarHBondContact O-CG 3.25Å; G37-L41 PolarHBondContact O-N 3.05Å; G37-L41 VanDerWaalsContact O-N 3.1Å; L41-E44 PolarHBondContact O-N 2.94Å; L41-S45 PolarHBondContact O-N 2.89Å; L41-S45 VanDerWaalsContact O-N 3.07Å
42Y91.1Very high85.9Confident53 Ų5378.3 Ų78.321%0.20841%0.406CS..Hα-helixtrans-60.3-45.8175.2177.8-100.7000111.8C38 I39 T40 S45 I46 F53 P56C38-Y42 WeakPolarHBondContact O-CB 3.47Å; C38-Y42 PolarHBondContact O-N 2.79Å; I39-Y42 HydrophobicContact CD1-CD1 4.13Å; I39-Y42 PolarHBondContact O-N 3.15Å; T40-Y42 VanDerWaalsContact C-N 3.29Å; T40-Y42 PolarHBondContact O-N 3.34Å; Y42-S45 PolarHBondContact O-N 3.14Å; Y42-S45 PolarHBondContact O-OG 3.39Å; Y42-I46 HydrophobicContact CD1-CD1 4.11Å; Y42-I46 HydrophobicContact CE1-CD1 3.45Å; Y42-I46 VanDerWaalsContact CE1-CD1 3.45Å; Y42-I46 HydrophobicContact CE2-CD1 3.97Å; Y42-I46 PolarHBondContact O-N 2.92Å; Y42-F53 HydrophobicContact CD1-CE2 4.31Å; Y42-F53 HydrophobicContact CE1-CE2 4.49Å; Y42-P56 HydrophobicContact CD1-CG 3.88Å; Y42-P56 HydrophobicContact CE1-CB 4.43Å; Y42-P56 HydrophobicContact CE1-CG 3.62Å; Y42-P56 HydrophobicContact CE2-CG 4.34Å; Y42-P56 HydrophobicContact CG-CG 4.34Å
43F88.7Confident85.4Confident49 Ų4975.2 Ų75.222%0.21539%0.392CS..Hα-helixtrans-64.6-43.3178.1180-105.2000112.5I39 T40 S45 I46 F53 F64I39-F43 WeakPolarHBondContact O-CB 3.46Å; I39-F43 PolarHBondContact O-N 2.9Å; T40-F43 PolarHBondContact O-N 3.29Å; T40-F43 VanDerWaalsContact O-N 3.16Å; F43-S45 PolarHBondContact O-N 3.34Å; F43-I46 PolarHBondContact O-N 2.91Å; F43-F53 HydrophobicContact CD2-CB 4.31Å; F43-F53 HydrophobicContact CD2-CD2 4.48Å; F43-F53 HydrophobicContact CE2-CB 4.47Å; F43-F64 HydrophobicContact CB-CD2 3.65Å; F43-F64 HydrophobicContact CB-CE2 3.37Å; F43-F64 HydrophobicContact CB-CZ 4.09Å; F43-F64 HydrophobicContact CD1-CB 4.49Å; F43-F64 HydrophobicContact CD1-CD1 4.12Å; F43-F64 AromaticContact CD1-CD2 3.8Å; F43-F64 HydrophobicContact CD1-CD2 3.8Å; F43-F64 HydrophobicContact CD1-CE1 4.3Å; F43-F64 AromaticContact CD1-CE2 3.99Å; F43-F64 HydrophobicContact CD1-CE2 3.99Å; F43-F64 AromaticContact CD1-CG 3.87Å; F43-F64 HydrophobicContact CD1-CG 3.87Å; F43-F64 HydrophobicContact CD1-CZ 4.24Å; F43-F64 HydrophobicContact CD2-CB 4.18Å; F43-F64 AromaticContact CD2-CD2 3.55Å; F43-F64 HydrophobicContact CD2-CD2 3.55Å; F43-F64 HydrophobicContact CD2-CE2 4.2Å; F43-F64 HydrophobicContact CD2-CG 4.02Å; F43-F64 HydrophobicContact CE1-CB 4.2Å; F43-F64 HydrophobicContact CE1-CD1 4.25Å; F43-F64 HydrophobicContact CE1-CD2 4.34Å; F43-F64 HydrophobicContact CE1-CG 4.01Å; F43-F64 HydrophobicContact CE2-CB 3.87Å; F43-F64 HydrophobicContact CE2-CD2 4.13Å; F43-F64 HydrophobicContact CE2-CG 4.16Å; F43-F64 HydrophobicContact CG-CB 4.48Å; F43-F64 AromaticContact CG-CD2 3.36Å; F43-F64 HydrophobicContact CG-CD2 3.36Å; F43-F64 AromaticContact CG-CE2 3.59Å; F43-F64 HydrophobicContact CG-CE2 3.59Å; F43-F64 AromaticContact CG-CG 3.88Å; F43-F64 HydrophobicContact CG-CG 3.88Å; F43-F64 HydrophobicContact CG-CZ 4.27Å; F43-F64 HydrophobicContact CZ-CB 3.88Å; F43-F64 HydrophobicContact CZ-CD2 4.5Å; F43-F64 HydrophobicContact CZ-CG 4.15Å
44E87.9Confident85.1Confident128 Ų12877.3 Ų77.360%0.59840%0.401SS*.Hα-helixtrans-61-30.9175.6-72.4171.8-179.800112.8T40 L41T40-E44 WeakPolarHBondContact O-CG 3.2Å; T40-E44 PolarHBondContact O-N 3.32Å; L41-E44 PolarHBondContact O-N 2.94Å
45S85.5Confident85Confident82 Ų8277.3 Ų77.357%0.57340%0.401SS*.Hα-helixtrans-71.8-27.2178.677.90000113.7L41 Y42 F43 K47L41-S45 PolarHBondContact O-N 2.89Å; L41-S45 VanDerWaalsContact O-N 3.07Å; Y42-S45 PolarHBondContact O-N 3.14Å; Y42-S45 PolarHBondContact O-OG 3.39Å; F43-S45 PolarHBondContact O-N 3.34Å; S45-K47 PolarHBondContact O-N 2.8Å
46I80.7Confident84.7Confident60 Ų6078.5 Ų78.531%0.30841%0.409SS..SBendtrans-92.988.3179.6-56.5171.5000107.2Y42 F43 C48Y42-I46 HydrophobicContact CD1-CD1 4.11Å; Y42-I46 HydrophobicContact CE1-CD1 3.45Å; Y42-I46 VanDerWaalsContact CE1-CD1 3.45Å; Y42-I46 HydrophobicContact CE2-CD1 3.97Å; Y42-I46 PolarHBondContact O-N 2.92Å; F43-I46 PolarHBondContact O-N 2.91Å; I46-C48 PolarHBondContact O-N 3Å
47K66.2Low84.6Confident204 Ų20477.5 Ų77.589%0.88741%0.409SS*.  trans-58.674.5178.1-67.6-178.6177.7-179.50112.6S45S45-K47 PolarHBondContact O-N 2.8Å
48C58.5Low84.5Confident77 Ų7777.6 Ų77.652%0.5240%0.402SS..  trans-112.8120.3173.4-82.10000109.8I46 K50I46-C48 PolarHBondContact O-N 3Å; C48-K50 PolarHBondContact O-N 3.48Å
49D62.4Low84.3Confident178 Ų17884.6 Ų84.695%0.95243%0.425SS*.SBendtrans-58-15.3171.9-82.2-32.6000113.5
50K65.8Low84.2Confident159 Ų15988.5 Ų88.569%0.69145%0.445SS*.SBendtrans-93.3128.4177.5-59.2-179.5-178178.60107.3C48 V52C48-K50 PolarHBondContact O-N 3.48Å; K50-V52 HydrophobicContact CB-CB 4.34Å; K50-V52 HydrophobicContact CB-CG2 3.84Å; K50-V52 PolarHBondContact O-N 3.11Å
51K77.9Confident84.1Confident171 Ų17189.7 Ų89.774%0.74346%0.455SS*.  trans-62.132.7174.4-66.9179.2176.3176.90114.1Q63 F64K51-Q63 WeakPolarHBondContact O-CA 3.38Å; K51-F64 PolarHBondContact O-N 3.2Å; K51-F64 VanDerWaalsContact O-N 3.07Å
52V85.1Confident83.7Confident64 Ų6486.4 Ų86.439%0.38844%0.435SS..EExtended strand (participates in β ladder)trans-100.6111.1-172.5179.70000107.9K50 Y62K50-V52 HydrophobicContact CB-CB 4.34Å; K50-V52 HydrophobicContact CB-CG2 3.84Å; K50-V52 PolarHBondContact O-N 3.11Å; V52-Y62 CarbonylContact C-O 3.49Å; V52-Y62 WeakPolarHBondContact CA-O 3.36Å
53F85.7Confident83.6Confident2 Ų289.4 Ų89.41%0.00945%0.451CS..EExtended strand (participates in β ladder)trans-85.4132.8172.2165.3-107.7000110.1A28 F34 I39 Y42 F43 C55 S61 Y62 F64 L67A28-F53 HydrophobicContact CB-CE1 3.89Å; F34-F53 HydrophobicContact CE2-CZ 4.5Å; I39-F53 HydrophobicContact CD1-CE2 3.51Å; I39-F53 HydrophobicContact CD1-CZ 3.75Å; I39-F53 HydrophobicContact CG1-CD2 4.48Å; I39-F53 HydrophobicContact CG1-CE2 3.52Å; I39-F53 HydrophobicContact CG1-CZ 3.83Å; Y42-F53 HydrophobicContact CD1-CE2 4.31Å; Y42-F53 HydrophobicContact CE1-CE2 4.49Å; F43-F53 HydrophobicContact CD2-CB 4.31Å; F43-F53 HydrophobicContact CD2-CD2 4.48Å; F43-F53 HydrophobicContact CE2-CB 4.47Å; F53-C55 HydrophobicContact CE1-CB 4.31Å; F53-S61 CarbonylContact O-C 3.49Å; F53-S61 VanDerWaalsContact O-CA 3.23Å; F53-S61 WeakPolarHBondContact O-CA 3.08Å; F53-Y62 HydrophobicContact CD1-CD2 4.44Å; F53-Y62 PolarHBondContact N-O 2.67Å; F53-Y62 PolarHBondContact O-N 2.64Å; F53-F64 HydrophobicContact CB-CB 3.99Å; F53-F64 HydrophobicContact CB-CD2 4.01Å; F53-F64 HydrophobicContact CD2-CD2 4Å; F53-F64 HydrophobicContact CD2-CE2 4.47Å; F53-F64 HydrophobicContact CG-CD2 4.19Å; F53-L67 HydrophobicContact CD1-CD2 4.28Å; F53-L67 HydrophobicContact CE1-CD2 3.95Å; F53-L67 HydrophobicContact CZ-CD2 4.36Å
54I90.4Very high83.6Confident65 Ų6589.4 Ų89.433%0.33345%0.451SS..EExtended strand (participates in β ladder)trans-105.6125.5171.7-61.1174000108.1P56 R59I54-P56 WeakPolarHBondContact O-CD 3.41Å; I54-R59 HydrophobicContact CG2-CB 4.31Å
55C93.2Very high83.5Confident0 Ų087 Ų870%045%0.448CS..  trans-61124.2177.61790000111.1F53 V57 C58 R59 I60F53-C55 HydrophobicContact CE1-CB 4.31Å; C55-V57 PolarHBondContact O-N 2.88Å; C55-V57 VanDerWaalsContact O-N 3.13Å; C55-V57 PolarHBondContact SG-N 2.76Å; C55-C58 VanDerWaalsContact CB-SG 3.57Å; C55-R59 WeakPolarHBondContact O-CA 3.2Å; C55-R59 PolarHBondContact O-N 3.49Å; C55-I60 PolarHBondContact N-O 3.34Å
56P92.2Very high83.8Confident31 Ų3185.4 Ų85.420%0.20143%0.433CS..THydrogen-bonded Turntrans-59.3-25.1178.2-21.628000114.1F34 I39 Y42 I54F34-P56 HydrophobicContact CE1-CB 4.38Å; F34-P56 HydrophobicContact CE1-CG 4.01Å; F34-P56 HydrophobicContact CZ-CG 4.21Å; I39-P56 HydrophobicContact CD1-CG 3.74Å; Y42-P56 HydrophobicContact CD1-CG 3.88Å; Y42-P56 HydrophobicContact CE1-CB 4.43Å; Y42-P56 HydrophobicContact CE1-CG 3.62Å; Y42-P56 HydrophobicContact CE2-CG 4.34Å; Y42-P56 HydrophobicContact CG-CG 4.34Å; I54-P56 WeakPolarHBondContact O-CD 3.41Å
57V93.4Very high84.4Confident72 Ų7283.8 Ų83.844%0.43643%0.425SS..THydrogen-bonded Turntrans-91.7-57.4-174.3-173.40000111.3P16 H32 F34 C55P16-V57 HydrophobicContact CB-CG2 4.31Å; P16-V57 HydrophobicContact CG-CG2 4Å; H32-V57 HydrophobicContact CB-CG2 4.49Å; H32-V57 VanDerWaalsContact NE2-CG1 3.33Å; H32-V57 WeakPolarHBondContact NE2-CG1 3.46Å; F34-V57 HydrophobicContact CE1-CG2 3.79Å; F34-V57 HydrophobicContact CZ-CG2 3.88Å; C55-V57 PolarHBondContact O-N 2.88Å; C55-V57 VanDerWaalsContact O-N 3.13Å; C55-V57 PolarHBondContact SG-N 2.76Å
58C94.4Very high85.8Confident48 Ų4882.1 Ų82.132%0.32441%0.413SS..THydrogen-bonded Turntrans-103.6-3.8-174.767.30000115.2C30 C55 I60C30-C58 VanDerWaalsContact CB-SG 3.56Å; C55-C58 VanDerWaalsContact CB-SG 3.57Å; C58-I60 HydrophobicContact CB-CG1 4.44Å; C58-I60 PolarHBondContact O-N 3.12Å; C58-I60 VanDerWaalsContact O-N 3.08Å
59R91.4Very high87.6Confident171 Ų17183 Ų8365%0.64542%0.418SS*.  trans62.19.3179-52.1-64-175.5154.92.8116.5I54 C55I54-R59 HydrophobicContact CG2-CB 4.31Å; C55-R59 WeakPolarHBondContact O-CA 3.2Å; C55-R59 PolarHBondContact O-N 3.49Å
60I92.2Very high89.2Confident83 Ų8376.4 Ų76.443%0.42638%0.382SS..  trans-71.5138.8171.6-51.6170.7000109.5C30 C55 C58 Y62C30-I60 HydrophobicContact CB-CD1 4.32Å; C55-I60 PolarHBondContact N-O 3.34Å; C58-I60 HydrophobicContact CB-CG1 4.44Å; C58-I60 PolarHBondContact O-N 3.12Å; C58-I60 VanDerWaalsContact O-N 3.08Å; I60-Y62 HydrophobicContact CB-CE2 3.66Å; I60-Y62 WeakPolarHBondContact CB-OH 3.48Å; I60-Y62 HydrophobicContact CG2-CD2 4.49Å; I60-Y62 HydrophobicContact CG2-CE1 3.9Å; I60-Y62 HydrophobicContact CG2-CE2 3.64Å; I60-Y62 WeakPolarHBondContact CG2-OH 3.41Å
61S89.7Confident90.6Very high70 Ų7078.3 Ų78.349%0.4939%0.385SS..EExtended strand (participates in β ladder)trans-95.2138.7-178.858.60000112.8F53F53-S61 CarbonylContact O-C 3.49Å; F53-S61 VanDerWaalsContact O-CA 3.23Å; F53-S61 WeakPolarHBondContact O-CA 3.08Å
62Y85.4Confident91.4Very high48 Ų4875.8 Ų75.819%0.18838%0.38CS..EExtended strand (participates in β ladder)trans-142.7169.2-179.7-55.9-76.1000110D29 C30 V52 F53 I60D29-Y62 HydrophobicContact CB-CD1 3.63Å; D29-Y62 HydrophobicContact CB-CE1 3.54Å; D29-Y62 HydrophobicContact CB-CG 4.21Å; C30-Y62 WeakPolarHBondContact CA-OH 3.47Å; C30-Y62 HydrophobicContact CB-CE2 3.84Å; C30-Y62 VanDerWaalsContact CB-OH 3.26Å; C30-Y62 WeakPolarHBondContact CB-OH 3.14Å; C30-Y62 PolarHBondContact N-OH 3.12Å; V52-Y62 CarbonylContact C-O 3.49Å; V52-Y62 WeakPolarHBondContact CA-O 3.36Å; F53-Y62 HydrophobicContact CD1-CD2 4.44Å; F53-Y62 PolarHBondContact N-O 2.67Å; F53-Y62 PolarHBondContact O-N 2.64Å; I60-Y62 HydrophobicContact CB-CE2 3.66Å; I60-Y62 WeakPolarHBondContact CB-OH 3.48Å; I60-Y62 HydrophobicContact CG2-CD2 4.49Å; I60-Y62 HydrophobicContact CG2-CE1 3.9Å; I60-Y62 HydrophobicContact CG2-CE2 3.64Å; I60-Y62 WeakPolarHBondContact CG2-OH 3.41Å
63Q88.6Confident91.9Very high116 Ų11673.8 Ų73.854%0.54237%0.368SS..EExtended strand (participates in β ladder)trans-73.1136.2167.4-65.8-174.4300109.6K51 S65 N66K51-Q63 WeakPolarHBondContact O-CA 3.38Å; Q63-S65 PolarHBondContact O-N 3.43Å; Q63-S65 VanDerWaalsContact O-N 3.16Å; Q63-S65 PolarHBondContact OE1-OG 2.87Å; Q63-N66 VanDerWaalsContact O-CB 3.3Å; Q63-N66 WeakPolarHBondContact O-CB 3.33Å; Q63-N66 PolarHBondContact O-N 3.07Å
64F88.4Confident92.3Very high48 Ų4874.9 Ų74.921%0.21138%0.377CS..G310 helixtrans-58.9-30.4178.7-172.8-99.4000112.2F43 K51 F53 N66 L67F43-F64 HydrophobicContact CB-CD2 3.65Å; F43-F64 HydrophobicContact CB-CE2 3.37Å; F43-F64 HydrophobicContact CB-CZ 4.09Å; F43-F64 HydrophobicContact CD1-CB 4.49Å; F43-F64 HydrophobicContact CD1-CD1 4.12Å; F43-F64 AromaticContact CD1-CD2 3.8Å; F43-F64 HydrophobicContact CD1-CD2 3.8Å; F43-F64 HydrophobicContact CD1-CE1 4.3Å; F43-F64 AromaticContact CD1-CE2 3.99Å; F43-F64 HydrophobicContact CD1-CE2 3.99Å; F43-F64 AromaticContact CD1-CG 3.87Å; F43-F64 HydrophobicContact CD1-CG 3.87Å; F43-F64 HydrophobicContact CD1-CZ 4.24Å; F43-F64 HydrophobicContact CD2-CB 4.18Å; F43-F64 AromaticContact CD2-CD2 3.55Å; F43-F64 HydrophobicContact CD2-CD2 3.55Å; F43-F64 HydrophobicContact CD2-CE2 4.2Å; F43-F64 HydrophobicContact CD2-CG 4.02Å; F43-F64 HydrophobicContact CE1-CB 4.2Å; F43-F64 HydrophobicContact CE1-CD1 4.25Å; F43-F64 HydrophobicContact CE1-CD2 4.34Å; F43-F64 HydrophobicContact CE1-CG 4.01Å; F43-F64 HydrophobicContact CE2-CB 3.87Å; F43-F64 HydrophobicContact CE2-CD2 4.13Å; F43-F64 HydrophobicContact CE2-CG 4.16Å; F43-F64 HydrophobicContact CG-CB 4.48Å; F43-F64 AromaticContact CG-CD2 3.36Å; F43-F64 HydrophobicContact CG-CD2 3.36Å; F43-F64 AromaticContact CG-CE2 3.59Å; F43-F64 HydrophobicContact CG-CE2 3.59Å; F43-F64 AromaticContact CG-CG 3.88Å; F43-F64 HydrophobicContact CG-CG 3.88Å; F43-F64 HydrophobicContact CG-CZ 4.27Å; F43-F64 HydrophobicContact CZ-CB 3.88Å; F43-F64 HydrophobicContact CZ-CD2 4.5Å; F43-F64 HydrophobicContact CZ-CG 4.15Å; K51-F64 PolarHBondContact O-N 3.2Å; K51-F64 VanDerWaalsContact O-N 3.07Å; F53-F64 HydrophobicContact CB-CB 3.99Å; F53-F64 HydrophobicContact CB-CD2 4.01Å; F53-F64 HydrophobicContact CD2-CD2 4Å; F53-F64 HydrophobicContact CD2-CE2 4.47Å; F53-F64 HydrophobicContact CG-CD2 4.19Å; F64-N66 PolarHBondContact O-N 3.45Å; F64-L67 HydrophobicContact CD2-CD1 3.73Å; F64-L67 HydrophobicContact CE2-CD1 3.49Å; F64-L67 VanDerWaalsContact CE2-CD1 3.49Å; F64-L67 HydrophobicContact CG-CD1 4.4Å; F64-L67 HydrophobicContact CZ-CD1 3.98Å; F64-L67 WeakPolarHBondContact O-CG 3.34Å; F64-L67 PolarHBondContact O-N 3.41Å
65S87.5Confident92.5Very high77 Ų7775 Ų7554%0.53838%0.379SS..G310 helixtrans-64.1-14.9173.447.30000114.9Q63 L67Q63-S65 PolarHBondContact O-N 3.43Å; Q63-S65 VanDerWaalsContact O-N 3.16Å; Q63-S65 PolarHBondContact OE1-OG 2.87Å; S65-L67 VanDerWaalsContact C-N 3.32Å
66N91Very high92.5Very high50 Ų5077.7 Ų77.727%0.26739%0.392SS..G310 helixtrans-80.4-13.6178.2-68.24.5000112.8D29 Q63 F64 R68D29-N66 WeakPolarHBondContact OD2-CB 3.47Å; D29-N66 PolarHBondContact OD2-ND2 3.49Å; Q63-N66 VanDerWaalsContact O-CB 3.3Å; Q63-N66 WeakPolarHBondContact O-CB 3.33Å; Q63-N66 PolarHBondContact O-N 3.07Å; F64-N66 PolarHBondContact O-N 3.45Å; N66-R68 WeakPolarHBondContact O-CG 3.3Å; N66-R68 PolarHBondContact O-N 2.97Å; N66-R68 VanDerWaalsContact O-N 3.15Å
67L92.6Very high92.5Very high25 Ų2576.4 Ų76.413%0.13138%0.384CS..  trans-59.1120.7176.2-66.8177.1000110.2S27 A28 I39 F53 F64 S65S27-L67 WeakPolarHBondContact O-CA 3.46Å; A28-L67 HydrophobicContact CB-CD2 3.73Å; I39-L67 HydrophobicContact CG1-CD1 4.19Å; I39-L67 HydrophobicContact CG2-CD1 3.77Å; F53-L67 HydrophobicContact CD1-CD2 4.28Å; F53-L67 HydrophobicContact CE1-CD2 3.95Å; F53-L67 HydrophobicContact CZ-CD2 4.36Å; F64-L67 HydrophobicContact CD2-CD1 3.73Å; F64-L67 HydrophobicContact CE2-CD1 3.49Å; F64-L67 VanDerWaalsContact CE2-CD1 3.49Å; F64-L67 HydrophobicContact CG-CD1 4.4Å; F64-L67 HydrophobicContact CZ-CD1 3.98Å; F64-L67 WeakPolarHBondContact O-CG 3.34Å; F64-L67 PolarHBondContact O-N 3.41Å; S65-L67 VanDerWaalsContact C-N 3.32Å
68R96.3Very high92.4Very high170 Ų17078.8 Ų78.864%0.64239%0.39SS*.EExtended strand (participates in β ladder)trans-109.5134.7-179.1-61.1-51.5-176.9169.3-1.2111.2V26 S27 N66 N70V26-R68 CarbonylContact C-O 3.53Å; V26-R68 WeakPolarHBondContact CA-O 3.4Å; S27-R68 PolarHBondContact N-O 3.36Å; S27-R68 PolarHBondContact O-N 3.31Å; N66-R68 WeakPolarHBondContact O-CG 3.3Å; N66-R68 PolarHBondContact O-N 2.97Å; N66-R68 VanDerWaalsContact O-N 3.15Å; R68-N70 PolarHBondContact O-N 3.11Å
69P96.6Very high92.2Very high94 Ų9484 Ų8461%0.6140%0.403SS*.EExtended strand (participates in β ladder)trans-57.1129.7171.8-24.333.9000112.3
70N96.2Very high92Very high40 Ų4076.5 Ų76.521%0.21438%0.376CS..  trans-102.888.9179.3-169.3-30.1000110.9P25 S27 T33 R68 N72 V73 A74P25-N70 WeakPolarHBondContact CG-O 3.34Å; P25-N70 PolarHBondContact O-N 3.32Å; S27-N70 WeakPolarHBondContact OG-CB 3.5Å; S27-N70 PolarHBondContact OG-ND2 2.65Å; T33-N70 HydrophobicContact CG2-CB 4.27Å; R68-N70 PolarHBondContact O-N 3.11Å; N70-N72 PolarHBondContact O-N 3.47Å; N70-N72 PolarHBondContact OD1-N 2.99Å; N70-V73 HydrophobicContact CB-CB 4.41Å; N70-V73 HydrophobicContact CB-CG2 4.37Å; N70-V73 WeakPolarHBondContact ND2-CG2 3.5Å; N70-V73 PolarHBondContact O-N 3.38Å; N70-V73 PolarHBondContact OD1-N 3.38Å; N70-V73 VanDerWaalsContact OD1-N 3.11Å; N70-A74 PolarHBondContact O-N 2.85Å
71R94.8Very high91.5Very high200 Ų20078.6 Ų78.676%0.75538%0.382SS*.Hα-helixtrans-62.9-29.2-179-63.1-177.8-178.8175.5-0.2112.8A74 N75R71-A74 WeakPolarHBondContact O-CB 3.33Å; R71-A74 PolarHBondContact O-N 2.79Å; R71-N75 WeakPolarHBondContact O-CB 3.27Å; R71-N75 PolarHBondContact O-N 3.35Å; R71-N75 PolarHBondContact O-ND2 3.47Å; R71-N75 PolarHBondContact O-OD1 2.92Å
72N94.5Very high91Very high117 Ų11782.8 Ų82.863%0.62640%0.395SS*.Hα-helixtrans-67.2-45.6180-66.6-27.3000111.3N70 A74 N75 I76N70-N72 PolarHBondContact O-N 3.47Å; N70-N72 PolarHBondContact OD1-N 2.99Å; N72-A74 VanDerWaalsContact C-N 3.32Å; N72-A74 PolarHBondContact O-N 3.37Å; N72-N75 PolarHBondContact O-N 3.07Å; N72-I76 VanDerWaalsContact O-CG1 3.3Å; N72-I76 WeakPolarHBondContact O-CG1 3.14Å; N72-I76 PolarHBondContact O-N 3.29Å
73V95.3Very high90.4Very high22 Ų2286.4 Ų86.413%0.13341%0.412CS..Hα-helixtrans-63.4-40.8174.9176.90000110.6V13 M22 P25 T33 N70 N75 I76 V77V13-V73 HydrophobicContact CB-CG1 4.35Å; V13-V73 HydrophobicContact CG1-CG1 4.14Å; M22-V73 HydrophobicContact SD-CG1 3.87Å; P25-V73 HydrophobicContact CB-CB 4.09Å; P25-V73 HydrophobicContact CB-CG1 3.87Å; P25-V73 HydrophobicContact CG-CB 3.92Å; P25-V73 HydrophobicContact CG-CG1 3.89Å; T33-V73 HydrophobicContact CG2-CG1 4.44Å; T33-V73 HydrophobicContact CG2-CG2 4.45Å; N70-V73 HydrophobicContact CB-CB 4.41Å; N70-V73 HydrophobicContact CB-CG2 4.37Å; N70-V73 WeakPolarHBondContact ND2-CG2 3.5Å; N70-V73 PolarHBondContact O-N 3.38Å; N70-V73 PolarHBondContact OD1-N 3.38Å; N70-V73 VanDerWaalsContact OD1-N 3.11Å; V73-N75 VanDerWaalsContact C-N 3.34Å; V73-N75 PolarHBondContact O-N 3.24Å; V73-I76 PolarHBondContact O-N 3.11Å; V73-V77 WeakPolarHBondContact O-CG2 3.46Å; V73-V77 PolarHBondContact O-N 2.91Å
74A95.1Very high89.2Confident25 Ų2589.2 Ų89.221%0.20742%0.423CS..Hα-helixtrans-57.8-46.9175.500000111.6P25 N70 R71 N72 I76 V77 E78P25-A74 HydrophobicContact CG-CB 3.76Å; N70-A74 PolarHBondContact O-N 2.85Å; R71-A74 WeakPolarHBondContact O-CB 3.33Å; R71-A74 PolarHBondContact O-N 2.79Å; N72-A74 VanDerWaalsContact C-N 3.32Å; N72-A74 PolarHBondContact O-N 3.37Å; A74-I76 VanDerWaalsContact C-N 3.32Å; A74-I76 PolarHBondContact O-N 3.49Å; A74-V77 PolarHBondContact O-N 3.43Å; A74-E78 PolarHBondContact O-N 3.36Å
75N94.4Very high87.5Confident68 Ų6891.7 Ų91.736%0.36444%0.444SS..Hα-helixtrans-63.7-35.9178.2-66.5-12.6000112.3R71 N72 V73 R79R71-N75 WeakPolarHBondContact O-CB 3.27Å; R71-N75 PolarHBondContact O-N 3.35Å; R71-N75 PolarHBondContact O-ND2 3.47Å; R71-N75 PolarHBondContact O-OD1 2.92Å; N72-N75 PolarHBondContact O-N 3.07Å; V73-N75 VanDerWaalsContact C-N 3.34Å; V73-N75 PolarHBondContact O-N 3.24Å; N75-R79 WeakPolarHBondContact O-CG 3.4Å; N75-R79 PolarHBondContact O-N 2.96Å
76I93.1Very high85.8Confident56 Ų5691.7 Ų91.729%0.28744%0.444SS..Hα-helixtrans-66.5-45175.1-65.6163.7000110.4L9 V13 N72 V73 A74 E78 R79 L80L9-I76 HydrophobicContact CD2-CG2 4.26Å; V13-I76 HydrophobicContact CG1-CB 4.32Å; V13-I76 HydrophobicContact CG1-CG2 3.79Å; N72-I76 VanDerWaalsContact O-CG1 3.3Å; N72-I76 WeakPolarHBondContact O-CG1 3.14Å; N72-I76 PolarHBondContact O-N 3.29Å; V73-I76 PolarHBondContact O-N 3.11Å; A74-I76 VanDerWaalsContact C-N 3.32Å; A74-I76 PolarHBondContact O-N 3.49Å; I76-E78 VanDerWaalsContact C-N 3.31Å; I76-E78 PolarHBondContact O-N 3.27Å; I76-R79 PolarHBondContact O-N 3.45Å; I76-L80 HydrophobicContact CG2-CD1 4.33Å; I76-L80 WeakPolarHBondContact O-CB 3.11Å; I76-L80 WeakPolarHBondContact O-CG 3.49Å; I76-L80 PolarHBondContact O-N 3.46Å
77V92.5Very high84Confident4 Ų495.1 Ų95.12%0.02447%0.469CS..Hα-helixtrans-59.3-42.2176.6171.10000111.2V13 L21 V73 A74 L80 K81V13-V77 HydrophobicContact CB-CG2 3.73Å; V13-V77 HydrophobicContact CG1-CG2 4.43Å; V13-V77 HydrophobicContact CG2-CG2 3.85Å; L21-V77 HydrophobicContact CB-CG1 4.01Å; L21-V77 HydrophobicContact CD1-CG1 4.41Å; V73-V77 WeakPolarHBondContact O-CG2 3.46Å; V73-V77 PolarHBondContact O-N 2.91Å; A74-V77 PolarHBondContact O-N 3.43Å; V77-L80 PolarHBondContact O-N 2.89Å; V77-K81 HydrophobicContact CG1-CD 4.4Å; V77-K81 WeakPolarHBondContact O-CG 3.36Å; V77-K81 PolarHBondContact O-N 3.19Å
78E91.3Very high82Confident122 Ų122100.9 Ų100.957%0.5750%0.495SS*.Hα-helixtrans-64.4-45.5176.6-73.3-178174.800112.3A74 I76 L80 K81 M82A74-E78 PolarHBondContact O-N 3.36Å; I76-E78 VanDerWaalsContact C-N 3.31Å; I76-E78 PolarHBondContact O-N 3.27Å; E78-L80 VanDerWaalsContact C-N 3.3Å; E78-L80 PolarHBondContact O-N 3.07Å; E78-K81 PolarHBondContact O-N 2.89Å; E78-M82 WeakPolarHBondContact O-CG 3.35Å; E78-M82 PolarHBondContact O-N 2.82Å
79R89.2Confident79.8Confident159 Ų159101.7 Ų101.760%0.651%0.506SS*.Hα-helixtrans-62.1-37.6175.6-73.9-171.5-68-107.24112.4N75 I76 M82 F83N75-R79 WeakPolarHBondContact O-CG 3.4Å; N75-R79 PolarHBondContact O-N 2.96Å; I76-R79 PolarHBondContact O-N 3.45Å; R79-M82 PolarHBondContact O-N 2.79Å; R79-F83 PolarHBondContact O-N 3.22Å
80L87Confident77.5Confident13 Ų13104.1 Ų104.17%0.06851%0.509CS..Hα-helixtrans-65-37.9174.3-84177.9000113.1M6 L9 K10 V13 I76 V77 E78 M82 F83M6-L80 HydrophobicContact CE-CD2 3.46Å; M6-L80 VanDerWaalsContact CE-CD2 3.46Å; M6-L80 HydrophobicContact SD-CD2 4.45Å; L9-L80 HydrophobicContact CD2-CD1 3.93Å; L9-L80 HydrophobicContact CD2-CD2 3.54Å; L9-L80 HydrophobicContact CD2-CG 3.83Å; K10-L80 HydrophobicContact CG-CD1 4.1Å; K10-L80 HydrophobicContact CG-CD2 4.4Å; V13-L80 HydrophobicContact CG2-CD1 3.45Å; V13-L80 VanDerWaalsContact CG2-CD1 3.45Å; I76-L80 HydrophobicContact CG2-CD1 4.33Å; I76-L80 WeakPolarHBondContact O-CB 3.11Å; I76-L80 WeakPolarHBondContact O-CG 3.49Å; I76-L80 PolarHBondContact O-N 3.46Å; V77-L80 PolarHBondContact O-N 2.89Å; E78-L80 VanDerWaalsContact C-N 3.3Å; E78-L80 PolarHBondContact O-N 3.07Å; L80-M82 VanDerWaalsContact C-N 3.28Å; L80-F83 PolarHBondContact O-N 3.44Å
81K82.9Confident75.4Confident126 Ų126110.2 Ų110.255%0.54854%0.537SS..Hα-helixtrans-66.5-33.8174.3-73174.2-179.2178.40111.8L21 V77 E78 F83L21-K81 HydrophobicContact CD1-CG 4.32Å; V77-K81 HydrophobicContact CG1-CD 4.4Å; V77-K81 WeakPolarHBondContact O-CG 3.36Å; V77-K81 PolarHBondContact O-N 3.19Å; E78-K81 PolarHBondContact O-N 2.89Å; K81-F83 VanDerWaalsContact C-N 3.32Å
82M78.3Confident73.9Confident158 Ų158107.6 Ų107.678%0.77853%0.53SS*.Hα-helixtrans-75.9-20.3176.7-69-73.4152.100112.9E78 R79 L80 K84E78-M82 WeakPolarHBondContact O-CG 3.35Å; E78-M82 PolarHBondContact O-N 2.82Å; R79-M82 PolarHBondContact O-N 2.79Å; L80-M82 VanDerWaalsContact C-N 3.28Å; M82-K84 PolarHBondContact O-N 3.47Å
83F72.4Confident72.8Confident124 Ų124105.4 Ų105.454%0.54452%0.521SS..  trans-69.983.3173.7-158.2-86.5000110M6 R79 L80 K81M6-F83 HydrophobicContact CE-CB 4.03Å; M6-F83 HydrophobicContact CE-CD1 3.53Å; M6-F83 HydrophobicContact CE-CD2 4.27Å; M6-F83 HydrophobicContact CE-CE1 4.02Å; M6-F83 HydrophobicContact CE-CG 3.66Å; M6-F83 HydrophobicContact SD-CE1 4.48Å; R79-F83 PolarHBondContact O-N 3.22Å; L80-F83 PolarHBondContact O-N 3.44Å; K81-F83 VanDerWaalsContact C-N 3.32Å
84K63Low72.2Confident176 Ų176111.3 Ų111.377%0.76555%0.545SS*.  trans-76117.7159.9-65.2-179.4-178.4179.10105.7M82 S86M82-K84 PolarHBondContact O-N 3.47Å; K84-S86 PolarHBondContact O-N 3.25Å
85P53.9Low72Confident100 Ų100114.2 Ų114.265%0.64956%0.557SS**  trans-52.5136.7162.923.7-29.7000106.9
86S50.8Low71.8Confident77 Ų77111.5 Ų111.554%0.53854%0.544SS..  trans-45.8131.217536.40000108.1K84 E88K84-S86 PolarHBondContact O-N 3.25Å; S86-E88 PolarHBondContact O-N 3.1Å; S86-E88 PolarHBondContact OG-OE1 3.27Å
87P54.3Low71.6Confident122 Ų122114.2 Ų114.279%0.79257%0.574SS**  trans-74.664168.232.8-31.3000106.8E89P87-E89 VanDerWaalsContact C-N 3.33Å; P87-E89 PolarHBondContact O-N 2.99Å; P87-E89 VanDerWaalsContact O-N 3.12Å
88E50.2Low71.4Confident146 Ų146120.1 Ų120.168%0.68260%0.596SS**  trans-61.9113.6150.4-78.5163.8-138.500103.6S86 E90S86-E88 PolarHBondContact O-N 3.1Å; S86-E88 PolarHBondContact OG-OE1 3.27Å; E88-E90 PolarHBondContact O-N 3.48Å
89E49Very low71.2Confident186 Ų186117 Ų11787%0.86958%0.582SS**  trans-5868.8167.7-63.4166.6158.300107.8P87 Q91P87-E89 VanDerWaalsContact C-N 3.33Å; P87-E89 PolarHBondContact O-N 2.99Å; P87-E89 VanDerWaalsContact O-N 3.12Å; E89-Q91 PolarHBondContact O-N 3.35Å
90E48.8Very low71.2Confident146 Ų146112 Ų11268%0.68258%0.579SS**  trans-61.579.9145.8-72-174.7-174.500103.9E88 K92E88-E90 PolarHBondContact O-N 3.48Å; E90-K92 HydrophobicContact CB-CG 4.32Å; E90-K92 PolarHBondContact O-N 3.29Å
91Q52.9Low71.3Confident168 Ų168115.8 Ų115.879%0.78560%0.595SS**  trans-52.889.3149.2-168.314626.900103.3E89 V93E89-Q91 PolarHBondContact O-N 3.35Å; Q91-V93 WeakPolarHBondContact O-CG2 3.42Å; Q91-V93 PolarHBondContact O-N 3.2Å
92K63Low71.8Confident144 Ų144115.4 Ų115.463%0.62659%0.593SS**  trans-58.695.2-170.1-83.2-179.6179175.80105.6E90 F94E90-K92 HydrophobicContact CB-CG 4.32Å; E90-K92 PolarHBondContact O-N 3.29Å; K92-F94 VanDerWaalsContact C-N 3.3Å; K92-F94 HydrophobicContact CB-CE2 4.09Å; K92-F94 HydrophobicContact CB-CZ 4.14Å; K92-F94 WeakPolarHBondContact O-CD2 3.37Å; K92-F94 WeakPolarHBondContact O-CE2 3.48Å; K92-F94 PolarHBondContact O-N 3.44Å
93V71.1Confident72.5Confident72 Ų72110 Ų11044%0.43657%0.567SS.*  trans-74.898.7-179.7-177.40000103.9Q91 N95 K102Q91-V93 WeakPolarHBondContact O-CG2 3.42Å; Q91-V93 PolarHBondContact O-N 3.2Å; V93-N95 WeakPolarHBondContact CG1-OD1 3.48Å; V93-N95 PolarHBondContact O-N 3.02Å; V93-K102 HydrophobicContact CG1-CB 4.48Å; V93-K102 HydrophobicContact CG1-CD 3.74Å; V93-K102 HydrophobicContact CG1-CG 3.61Å
94F84Confident73.5Confident145 Ų145109.3 Ų109.364%0.63657%0.566SS**  trans-68.1107.3175.2-65.5-81.2000107.9K92 L103K92-F94 VanDerWaalsContact C-N 3.3Å; K92-F94 HydrophobicContact CB-CE2 4.09Å; K92-F94 HydrophobicContact CB-CZ 4.14Å; K92-F94 WeakPolarHBondContact O-CD2 3.37Å; K92-F94 WeakPolarHBondContact O-CE2 3.48Å; K92-F94 PolarHBondContact O-N 3.44Å; F94-L103 HydrophobicContact CB-CB 4.34Å; F94-L103 HydrophobicContact CB-CD1 4.09Å; F94-L103 HydrophobicContact CB-CG 4.43Å; F94-L103 WeakPolarHBondContact O-CB 3.38Å; F94-L103 PolarHBondContact O-N 3.02Å
95N89.8Confident75Confident86 Ų86102.1 Ų102.146%0.4654%0.536SS..BIsolated β-bridgetrans-97.6143.3176-69.9-30.4000110V93 A97 K101V93-N95 WeakPolarHBondContact CG1-OD1 3.48Å; V93-N95 PolarHBondContact O-N 3.02Å; N95-A97 PolarHBondContact O-N 3.1Å; N95-K101 CarbonylContact C-O 3.58Å; N95-K101 WeakPolarHBondContact CA-O 3.38Å
96C90.4Very high77Confident11 Ų1198.9 Ų98.97%0.07451%0.511CS..  trans-61.4122.5172.9176.70000109.9R98 H99 G100 K101 L103 C115 C118C96-R98 PolarHBondContact O-N 3.35Å; C96-R98 VanDerWaalsContact O-N 3.15Å; C96-R98 PolarHBondContact SG-N 3.03Å; C96-H99 PolarHBondContact O-N 3.02Å; C96-H99 PolarHBondContact SG-ND1 3.32Å; C96-H99 VanDerWaalsContact SG-ND1 3.44Å; C96-G100 WeakPolarHBondContact O-CA 3.38Å; C96-G100 PolarHBondContact O-N 3.01Å; C96-K101 WeakPolarHBondContact CB-O 3.38Å; C96-K101 PolarHBondContact N-O 3.03Å; C96-L103 HydrophobicContact CB-CD2 3.66Å; C96-C115 HydrophobicContact CB-CB 3.85Å; C96-C115 VanDerWaalsContact CB-SG 3.54Å; C96-C118 PolarHBondContact SG-SG 3.12Å
97A88.9Confident79.2Confident113 Ų11395.2 Ų95.293%0.93449%0.486SS*.THydrogen-bonded Turntrans-57.8-29.9178.800000113.1N95N95-A97 PolarHBondContact O-N 3.1Å
98R87.8Confident81.1Confident129 Ų12994.7 Ų94.749%0.48747%0.468SS..THydrogen-bonded Turntrans-84.1-36.9-178.7-166.817177.8-161.10.3114.1C96 S121 E123C96-R98 PolarHBondContact O-N 3.35Å; C96-R98 VanDerWaalsContact O-N 3.15Å; C96-R98 PolarHBondContact SG-N 3.03Å; R98-S121 PolarHBondContact NH2-OG 2.99Å; R98-E123 IonicContact CZ-OE2 3.46Å; R98-E123 IonicContact NH1-OE2 2.87Å; R98-E123 PolarHBondContact NH1-OE2 2.96Å; R98-E123 IonicContact NH2-OE2 2.7Å
99H88.1Confident83.2Confident57 Ų5794.8 Ų94.826%0.26447%0.466SS..THydrogen-bonded Turntrans-118.1-8-170.8-49.7114.7000114.7C96 K101 C115 L117 C118C96-H99 PolarHBondContact O-N 3.02Å; C96-H99 PolarHBondContact SG-ND1 3.32Å; C96-H99 VanDerWaalsContact SG-ND1 3.44Å; H99-K101 HydrophobicContact CB-CG 4.28Å; H99-K101 PolarHBondContact O-N 3.26Å; H99-K101 VanDerWaalsContact O-N 3.12Å; H99-C115 PolarHBondContact ND1-SG 3.39Å; H99-L117 HydrophobicContact CB-CB 4.14Å; H99-L117 HydrophobicContact CB-CD1 3.75Å; H99-C118 PolarHBondContact CE1-N 2.89Å; H99-C118 PolarHBondContact CE1-SG 3.39Å; H99-C118 PolarHBondContact ND1-SG 2.96Å
100G87.9Confident85.3Confident52 Ų5288.8 Ų88.854%0.53644%0.44SS..  trans64.911.8-176.300000114.8C96C96-G100 WeakPolarHBondContact O-CA 3.38Å; C96-G100 PolarHBondContact O-N 3.01Å
101K90.8Very high87.5Confident94 Ų9487.1 Ų87.141%0.40943%0.433SS..  trans-94.7149.6177.7-57.7-54.8179.5-175.30111N95 C96 H99 L103 C115 L117N95-K101 CarbonylContact C-O 3.58Å; N95-K101 WeakPolarHBondContact CA-O 3.38Å; C96-K101 WeakPolarHBondContact CB-O 3.38Å; C96-K101 PolarHBondContact N-O 3.03Å; H99-K101 HydrophobicContact CB-CG 4.28Å; H99-K101 PolarHBondContact O-N 3.26Å; H99-K101 VanDerWaalsContact O-N 3.12Å; K101-L103 PolarHBondContact O-N 3.18Å; K101-C115 HydrophobicContact CB-CB 3.86Å; K101-L117 HydrophobicContact CG-CD1 3.75Å
102K92Very high89.4Confident118 Ų11883.2 Ų83.251%0.51342%0.416SS..BIsolated β-bridgetrans-54.1136.4178-58.9-168179.3-176.80111.2V93 Q104 C115V93-K102 HydrophobicContact CG1-CB 4.48Å; V93-K102 HydrophobicContact CG1-CD 3.74Å; V93-K102 HydrophobicContact CG1-CG 3.61Å; K102-Q104 HydrophobicContact CB-CG 4.12Å; K102-Q104 PolarHBondContact O-N 3.16Å; K102-C115 VanDerWaalsContact O-CB 3.24Å; K102-C115 WeakPolarHBondContact O-CB 3.46Å
103L93.3Very high90.9Very high43 Ų4378.3 Ų78.323%0.22540%0.402CS..  trans-77.8113.5169.2-61.6-178000107.9F94 C96 K101 A113 I114 C115 I132F94-L103 HydrophobicContact CB-CB 4.34Å; F94-L103 HydrophobicContact CB-CD1 4.09Å; F94-L103 HydrophobicContact CB-CG 4.43Å; F94-L103 WeakPolarHBondContact O-CB 3.38Å; F94-L103 PolarHBondContact O-N 3.02Å; C96-L103 HydrophobicContact CB-CD2 3.66Å; K101-L103 PolarHBondContact O-N 3.18Å; L103-A113 HydrophobicContact CB-CB 4.26Å; L103-A113 HydrophobicContact CD1-CB 4.12Å; L103-I114 VanDerWaalsContact CD2-C 3.44Å; L103-C115 HydrophobicContact CD2-CB 4.27Å; L103-I132 HydrophobicContact CB-CD1 4.27Å; L103-I132 WeakPolarHBondContact O-CD1 3.5Å
104Q93.2Very high92.1Very high111 Ų11174.9 Ų74.952%0.51938%0.382SS..  trans-131.6-13.3-178.2-67.8-177.5-62.500112.4K102 I114 I132K102-Q104 HydrophobicContact CB-CG 4.12Å; K102-Q104 PolarHBondContact O-N 3.16Å; Q104-I114 PolarHBondContact N-O 3.41Å; Q104-I132 PolarHBondContact O-N 2.92Å
105L95.3Very high92.6Very high25 Ų2568 Ų6813%0.13135%0.351CS..EExtended strand (participates in β ladder)trans-112.3150.5-177.5-60.2172.4000109.7A113 I114 E119 A130 L131L105-A113 CarbonylContact O-C 3.49Å; L105-A113 VanDerWaalsContact O-CA 3.32Å; L105-A113 WeakPolarHBondContact O-CA 3.44Å; L105-I114 HydrophobicContact CB-CG1 3.82Å; L105-I114 PolarHBondContact N-O 3.22Å; L105-I114 VanDerWaalsContact N-O 3.07Å; L105-I114 PolarHBondContact O-N 3Å; L105-E119 HydrophobicContact CD1-CB 4.02Å; L105-E119 HydrophobicContact CD1-CG 4.42Å; L105-E119 WeakPolarHBondContact CD1-OE2 3.4Å; L105-A130 CarbonylContact C-O 3.5Å; L105-A130 WeakPolarHBondContact CA-O 3.48Å; L105-L131 HydrophobicContact CD2-CD2 4.08Å
106F96.3Very high92.8Very high31 Ų3169.8 Ų69.814%0.13635%0.352CS..EExtended strand (participates in β ladder)trans-118.3122.7173.3-177.3-94.6000109.2R108 M111 T129 A130 I132 V135F106-R108 HydrophobicContact CD1-CG 4.24Å; F106-R108 PolarHBondContact O-N 3.47Å; F106-M111 HydrophobicContact CE1-CE 4.43Å; F106-M111 HydrophobicContact CE1-SD 3.84Å; F106-M111 HydrophobicContact CZ-CB 4.25Å; F106-M111 HydrophobicContact CZ-CE 3.92Å; F106-M111 HydrophobicContact CZ-SD 3.74Å; F106-T129 VanDerWaalsContact O-CA 3.29Å; F106-T129 WeakPolarHBondContact O-CA 3.15Å; F106-A130 PolarHBondContact N-O 3.5Å; F106-A130 PolarHBondContact O-N 3.12Å; F106-A130 VanDerWaalsContact O-N 3.12Å; F106-I132 HydrophobicContact CB-CG1 4.25Å; F106-V135 HydrophobicContact CB-CB 4.43Å; F106-V135 HydrophobicContact CB-CG2 4.09Å; F106-V135 HydrophobicContact CD1-CB 4.39Å; F106-V135 HydrophobicContact CD1-CG1 3.87Å; F106-V135 HydrophobicContact CD1-CG2 4.02Å; F106-V135 HydrophobicContact CE1-CG1 4.08Å; F106-V135 HydrophobicContact CG-CB 4.44Å; F106-V135 HydrophobicContact CG-CG1 4.15Å; F106-V135 HydrophobicContact CG-CG2 4.3Å
107C95.5Very high93Very high0 Ų071.9 Ų71.90%036%0.362CS..EExtended strand (participates in β ladder)trans-80.8113.3172.9-176.70000109.5K109 D110 M111 M112 I114 H127C107-K109 VanDerWaalsContact C-N 3.27Å; C107-K109 PolarHBondContact O-N 2.91Å; C107-D110 HydrophobicContact CB-CB 4.31Å; C107-D110 PolarHBondContact SG-OD2 3.38Å; C107-M111 WeakPolarHBondContact O-CA 3.46Å; C107-M111 PolarHBondContact O-N 3.13Å; C107-M112 PolarHBondContact N-O 3.17Å; C107-M112 PolarHBondContact O-N 3.07Å; C107-I114 HydrophobicContact CB-CD1 4.12Å; C107-I114 HydrophobicContact CB-CG2 4.4Å; C107-H127 VanDerWaalsContact SG-CB 3.5Å
108R94.7Very high93.3Very high112 Ų11266.9 Ų66.942%0.42332%0.32SS..THydrogen-bonded Turntrans-68.1-25-177.9-66.9-170.4177.9-142-3.7113.5F106 K128 E138F106-R108 HydrophobicContact CD1-CG 4.24Å; F106-R108 PolarHBondContact O-N 3.47Å; R108-K128 HydrophobicContact CB-CB 4.48Å; R108-K128 WeakPolarHBondContact CB-O 3.5Å; R108-K128 PolarHBondContact N-O 3.32Å; R108-E138 IonicContact CZ-OE1 2.86Å; R108-E138 IonicContact CZ-OE2 2.82Å; R108-E138 IonicContact NH1-OE2 3.93Å; R108-E138 IonicContact NH2-OE1 3.35Å; R108-E138 PolarHBondContact NH2-OE1 2.87Å; R108-E138 IonicContact NH2-OE2 3.96Å; R108-E138 PolarHBondContact NH2-OE2 3.07Å
109K93.9Very high93.6Very high147 Ų14763.9 Ų63.964%0.63931%0.312SS*.THydrogen-bonded Turntrans-79.5-45.7179.1-171.6-169.7170.2-170.60111.7C107 H127C107-K109 VanDerWaalsContact C-N 3.27Å; C107-K109 PolarHBondContact O-N 2.91Å; K109-H127 HydrophobicContact CB-CB 4.33Å; K109-H127 VanDerWaalsContact CD-CD2 3.46Å; K109-H127 WeakPolarHBondContact CD-CD2 3.42Å; K109-H127 VanDerWaalsContact CD-NE2 3.29Å; K109-H127 WeakPolarHBondContact CD-NE2 3.42Å; K109-H127 PolarHBondContact NZ-NE2 2.88Å
110D93.9Very high93.9Very high61 Ų6170.7 Ų70.733%0.32634%0.335SS..THydrogen-bonded Turntrans-91.3-4.6-176.2-50-45.2000112.6C107 M112 H124 H127C107-D110 HydrophobicContact CB-CB 4.31Å; C107-D110 PolarHBondContact SG-OD2 3.38Å; D110-M112 VanDerWaalsContact C-N 3.32Å; D110-M112 HydrophobicContact CB-CG 4Å; D110-M112 HydrophobicContact CB-SD 4.11Å; D110-M112 PolarHBondContact O-N 3.23Å; D110-H124 IonicContact OD2-CE1 4Å; D110-H124 PolarHBondContact OD2-CE1 3.31Å; D110-H124 VanDerWaalsContact OD2-CE1 3.22Å; D110-H124 IonicContact OD2-CG 3.48Å; D110-H124 IonicContact OD2-ND1 3.94Å; D110-H124 PolarHBondContact OD2-ND1 3.36Å; D110-H127 IonicContact OD1-CE1 3.89Å; D110-H127 PolarHBondContact OD1-CE1 2.85Å; D110-H127 IonicContact OD1-ND1 3.22Å; D110-H127 IonicContact OD2-CE1 3.91Å; D110-H127 PolarHBondContact OD2-CE1 3.16Å; D110-H127 IonicContact OD2-ND1 2.82Å; D110-H127 PolarHBondContact OD2-ND1 3.19Å
111M94Very high94.1Very high110 Ų11069.2 Ų69.254%0.54232%0.317SS..THydrogen-bonded Turntrans55.442.1177.4-66.6-63-71.800113.8F106 C107 Y139F106-M111 HydrophobicContact CE1-CE 4.43Å; F106-M111 HydrophobicContact CE1-SD 3.84Å; F106-M111 HydrophobicContact CZ-CB 4.25Å; F106-M111 HydrophobicContact CZ-CE 3.92Å; F106-M111 HydrophobicContact CZ-SD 3.74Å; C107-M111 WeakPolarHBondContact O-CA 3.46Å; C107-M111 PolarHBondContact O-N 3.13Å; M111-Y139 WeakPolarHBondContact CE-OH 3.43Å
112M94.2Very high94.2Very high87 Ų8773.4 Ų73.443%0.42934%0.338SS..EExtended strand (participates in β ladder)trans-141.8152.6-175.767.9-176.1-60.500113.3C107 D110 I114C107-M112 PolarHBondContact N-O 3.17Å; C107-M112 PolarHBondContact O-N 3.07Å; D110-M112 VanDerWaalsContact C-N 3.32Å; D110-M112 HydrophobicContact CB-CG 4Å; D110-M112 HydrophobicContact CB-SD 4.11Å; D110-M112 PolarHBondContact O-N 3.23Å; M112-I114 HydrophobicContact CG-CG2 3.89Å; M112-I114 HydrophobicContact SD-CG2 4.49Å
113A94.3Very high94.2Very high40 Ų4073 Ų7333%0.33134%0.337SS..EExtended strand (participates in β ladder)trans-76.9131.1173.300000110.8L103 L105 I132L103-A113 HydrophobicContact CB-CB 4.26Å; L103-A113 HydrophobicContact CD1-CB 4.12Å; L105-A113 CarbonylContact O-C 3.49Å; L105-A113 VanDerWaalsContact O-CA 3.32Å; L105-A113 WeakPolarHBondContact O-CA 3.44Å; A113-I132 HydrophobicContact CB-CD1 3.71Å; A113-I132 HydrophobicContact CB-CG1 4.42Å
114I95.4Very high94.2Very high1 Ų171.1 Ų71.11%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-132.3162.7-176.369.4169.1000110.8L103 Q104 L105 C107 M112 C118 E119 H124 T129L103-I114 VanDerWaalsContact CD2-C 3.44Å; Q104-I114 PolarHBondContact N-O 3.41Å; L105-I114 HydrophobicContact CB-CG1 3.82Å; L105-I114 PolarHBondContact N-O 3.22Å; L105-I114 VanDerWaalsContact N-O 3.07Å; L105-I114 PolarHBondContact O-N 3Å; C107-I114 HydrophobicContact CB-CD1 4.12Å; C107-I114 HydrophobicContact CB-CG2 4.4Å; M112-I114 HydrophobicContact CG-CG2 3.89Å; M112-I114 HydrophobicContact SD-CG2 4.49Å; I114-C118 HydrophobicContact CB-CB 3.69Å; I114-C118 HydrophobicContact CD1-CB 4.27Å; I114-C118 HydrophobicContact CG1-CB 4.39Å; I114-C118 HydrophobicContact CG2-CB 4.33Å; I114-E119 HydrophobicContact CD1-CB 4.13Å; I114-H124 HydrophobicContact CD1-CB 4.34Å; I114-T129 HydrophobicContact CD1-CG2 3.93Å
115C95Very high94.2Very high0 Ų075.5 Ų75.50%034%0.339CS..  trans-99.9167.9172.270.80000111.3C96 H99 K101 K102 L103 L117 C118 E119C96-C115 HydrophobicContact CB-CB 3.85Å; C96-C115 VanDerWaalsContact CB-SG 3.54Å; H99-C115 PolarHBondContact ND1-SG 3.39Å; K101-C115 HydrophobicContact CB-CB 3.86Å; K102-C115 VanDerWaalsContact O-CB 3.24Å; K102-C115 WeakPolarHBondContact O-CB 3.46Å; L103-C115 HydrophobicContact CD2-CB 4.27Å; C115-L117 PolarHBondContact O-N 3.04Å; C115-L117 VanDerWaalsContact O-N 3.11Å; C115-C118 WeakPolarHBondContact O-CA 3.35Å; C115-C118 VanDerWaalsContact O-CB 3.29Å; C115-C118 WeakPolarHBondContact O-CB 3.47Å; C115-C118 PolarHBondContact O-N 3.42Å; C115-C118 VanDerWaalsContact SG-SG 3.65Å; C115-E119 PolarHBondContact O-N 2.86Å
116W93.9Very high94.1Very high124 Ų12478.2 Ų78.247%0.4737%0.373SS..Hα-helixtrans-59.2-24.6-179.769.5-95.1000114.4
117L94.5Very high94.1Very high55 Ų5578.4 Ų78.429%0.28837%0.374SS..Hα-helixtrans-77-34.2172.6-74.6170.8000112.5H99 K101 C115 R120 S121H99-L117 HydrophobicContact CB-CB 4.14Å; H99-L117 HydrophobicContact CB-CD1 3.75Å; K101-L117 HydrophobicContact CG-CD1 3.75Å; C115-L117 PolarHBondContact O-N 3.04Å; C115-L117 VanDerWaalsContact O-N 3.11Å; L117-R120 PolarHBondContact O-N 3.04Å; L117-S121 PolarHBondContact O-N 3.39Å
118C95Very high94.1Very high8 Ų886.4 Ų86.45%0.05441%0.409CS..Hα-helixtrans-63.9-43.4173.8-73.40000111.1C96 H99 I114 C115 R120 S121 H124C96-C118 PolarHBondContact SG-SG 3.12Å; H99-C118 PolarHBondContact CE1-N 2.89Å; H99-C118 PolarHBondContact CE1-SG 3.39Å; H99-C118 PolarHBondContact ND1-SG 2.96Å; I114-C118 HydrophobicContact CB-CB 3.69Å; I114-C118 HydrophobicContact CD1-CB 4.27Å; I114-C118 HydrophobicContact CG1-CB 4.39Å; I114-C118 HydrophobicContact CG2-CB 4.33Å; C115-C118 WeakPolarHBondContact O-CA 3.35Å; C115-C118 VanDerWaalsContact O-CB 3.29Å; C115-C118 WeakPolarHBondContact O-CB 3.47Å; C115-C118 PolarHBondContact O-N 3.42Å; C115-C118 VanDerWaalsContact SG-SG 3.65Å; C118-R120 PolarHBondContact O-N 3.4Å; C118-S121 VanDerWaalsContact O-CB 3.31Å; C118-S121 WeakPolarHBondContact O-CB 3.3Å; C118-S121 PolarHBondContact O-N 2.89Å; C118-S121 PolarHBondContact O-OG 3.49Å; C118-H124 PolarHBondContact O-CD2 3.04Å
119E94.6Very high94.1Very high66 Ų6683 Ų8331%0.30840%0.401SS..Hα-helixtrans-56.4-37178.8178.8179.5-120.900112.6L105 I114 C115 T129L105-E119 HydrophobicContact CD1-CB 4.02Å; L105-E119 HydrophobicContact CD1-CG 4.42Å; L105-E119 WeakPolarHBondContact CD1-OE2 3.4Å; I114-E119 HydrophobicContact CD1-CB 4.13Å; C115-E119 PolarHBondContact O-N 2.86Å; E119-T129 HydrophobicContact CG-CG2 4.13Å; E119-T129 WeakPolarHBondContact OE1-CB 3.19Å; E119-T129 PolarHBondContact OE1-OG1 3.24Å
120R93.3Very high94.2Very high200 Ų20076.6 Ų76.676%0.75538%0.375SS*.THydrogen-bonded Turntrans-85.1-7.4177.9-61.1-178.474.3174.63.8114.1L117 C118L117-R120 PolarHBondContact O-N 3.04Å; C118-R120 PolarHBondContact O-N 3.4Å
121S93.3Very high94.2Very high21 Ų2177.4 Ų77.415%0.14738%0.379CS..SBendtrans-75.1161.5179.577.20000111.6R98 L117 C118 E123 H124 R125R98-S121 PolarHBondContact NH2-OG 2.99Å; L117-S121 PolarHBondContact O-N 3.39Å; C118-S121 VanDerWaalsContact O-CB 3.31Å; C118-S121 WeakPolarHBondContact O-CB 3.3Å; C118-S121 PolarHBondContact O-N 2.89Å; C118-S121 PolarHBondContact O-OG 3.49Å; S121-E123 PolarHBondContact O-N 3.27Å; S121-H124 PolarHBondContact O-N 3.41Å; S121-R125 PolarHBondContact O-N 3.18Å
122Q92.6Very high94.2Very high182 Ų18274.9 Ų74.985%0.8537%0.367SS*.G310 helixtrans-57.4-30.8176.9-69.3-177.1-3.600112.7H124Q122-H124 PolarHBondContact O-N 3.23Å
123E92Very high94.1Very high109 Ų10978.3 Ų78.351%0.50938%0.382SS..G310 helixtrans-64.8-38.6-175.4-174.5175.3-16800113.8R98 S121 H127R98-E123 IonicContact CZ-OE2 3.46Å; R98-E123 IonicContact NH1-OE2 2.87Å; R98-E123 PolarHBondContact NH1-OE2 2.96Å; R98-E123 IonicContact NH2-OE2 2.7Å; S121-E123 PolarHBondContact O-N 3.27Å; E123-H127 PolarHBondContact O-CE1 2.99Å; E123-H127 VanDerWaalsContact O-CE1 3.31Å
124H93.8Very high94.1Very high4 Ų481.3 Ų81.32%0.01939%0.39CS..G310 helixtrans-111.412.5-179-57.2-68.7000112.9D110 I114 C118 S121 Q122 G126 H127D110-H124 IonicContact OD2-CE1 4Å; D110-H124 PolarHBondContact OD2-CE1 3.31Å; D110-H124 VanDerWaalsContact OD2-CE1 3.22Å; D110-H124 IonicContact OD2-CG 3.48Å; D110-H124 IonicContact OD2-ND1 3.94Å; D110-H124 PolarHBondContact OD2-ND1 3.36Å; I114-H124 HydrophobicContact CD1-CB 4.34Å; C118-H124 PolarHBondContact O-CD2 3.04Å; S121-H124 PolarHBondContact O-N 3.41Å; Q122-H124 PolarHBondContact O-N 3.23Å; H124-G126 PolarHBondContact O-N 3.22Å; H124-H127 AromaticContact ND1-ND1 3.87Å; H124-H127 WeakPolarHBondContact O-CB 3.33Å; H124-H127 PolarHBondContact O-N 2.69Å
125R92.6Very high94.1Very high203 Ų20381.7 Ų81.777%0.76639%0.392SS*.THydrogen-bonded Turntrans-61.2114.7-175.1-166.7178.1-169.4-173.32.5110.4S121S121-R125 PolarHBondContact O-N 3.18Å
126G92.5Very high94Very high81 Ų8183.5 Ų83.584%0.83541%0.407SS*.THydrogen-bonded Turntrans83.74.6-18000000115.1H124H124-G126 PolarHBondContact O-N 3.22Å
127H96.5Very high94.1Very high35 Ų3581.9 Ų81.916%0.16240%0.404CS..  trans-75147.5171.1-63.1179.1000110.4C107 K109 D110 E123 H124 T129C107-H127 VanDerWaalsContact SG-CB 3.5Å; K109-H127 HydrophobicContact CB-CB 4.33Å; K109-H127 VanDerWaalsContact CD-CD2 3.46Å; K109-H127 WeakPolarHBondContact CD-CD2 3.42Å; K109-H127 VanDerWaalsContact CD-NE2 3.29Å; K109-H127 WeakPolarHBondContact CD-NE2 3.42Å; K109-H127 PolarHBondContact NZ-NE2 2.88Å; D110-H127 IonicContact OD1-CE1 3.89Å; D110-H127 PolarHBondContact OD1-CE1 2.85Å; D110-H127 IonicContact OD1-ND1 3.22Å; D110-H127 IonicContact OD2-CE1 3.91Å; D110-H127 PolarHBondContact OD2-CE1 3.16Å; D110-H127 IonicContact OD2-ND1 2.82Å; D110-H127 PolarHBondContact OD2-ND1 3.19Å; E123-H127 PolarHBondContact O-CE1 2.99Å; E123-H127 VanDerWaalsContact O-CE1 3.31Å; H124-H127 AromaticContact ND1-ND1 3.87Å; H124-H127 WeakPolarHBondContact O-CB 3.33Å; H124-H127 PolarHBondContact O-N 2.69Å; H127-T129 PolarHBondContact O-N 3.3Å
128K95.1Very high94.1Very high168 Ų16882.9 Ų82.973%0.7341%0.408SS*.  trans-73.1122.4173.5-68.6-175.8-179.7-178.70109.6R108R108-K128 HydrophobicContact CB-CB 4.48Å; R108-K128 WeakPolarHBondContact CB-O 3.5Å; R108-K128 PolarHBondContact N-O 3.32Å
129T95.8Very high94.1Very high42 Ų4287.5 Ų87.526%0.25843%0.425SS..EExtended strand (participates in β ladder)trans-113.8152.5176.850.90000110.1F106 I114 E119 H127F106-T129 VanDerWaalsContact O-CA 3.29Å; F106-T129 WeakPolarHBondContact O-CA 3.15Å; I114-T129 HydrophobicContact CD1-CG2 3.93Å; E119-T129 HydrophobicContact CG-CG2 4.13Å; E119-T129 WeakPolarHBondContact OE1-CB 3.19Å; E119-T129 PolarHBondContact OE1-OG1 3.24Å; H127-T129 PolarHBondContact O-N 3.3Å
130A95Very high94.2Very high12 Ų1290.5 Ų90.510%0.09944%0.436CS..EExtended strand (participates in β ladder)trans-143.9164.1173.300000109L105 F106 V135L105-A130 CarbonylContact C-O 3.5Å; L105-A130 WeakPolarHBondContact CA-O 3.48Å; F106-A130 PolarHBondContact N-O 3.5Å; F106-A130 PolarHBondContact O-N 3.12Å; F106-A130 VanDerWaalsContact O-N 3.12Å; A130-V135 HydrophobicContact CB-CG2 3.66Å
131L95.4Very high94.4Very high78 Ų7885.7 Ų85.741%0.40842%0.423SS..EExtended strand (participates in β ladder)trans-65.7141.7173.9-69.8169.1000109.5L105 E133 E134 V135L105-L131 HydrophobicContact CD2-CD2 4.08Å; L131-E133 PolarHBondContact O-N 3.44Å; L131-E134 HydrophobicContact CB-CB 4.38Å; L131-E134 HydrophobicContact CB-CG 3.97Å; L131-E134 PolarHBondContact N-OE2 3.01Å; L131-E134 WeakPolarHBondContact O-CB 3.3Å; L131-E134 PolarHBondContact O-N 3.3Å; L131-E134 VanDerWaalsContact O-N 3.12Å; L131-V135 PolarHBondContact O-N 3.42Å; L131-V135 VanDerWaalsContact O-N 3.11Å
132I94.2Very high94.6Very high56 Ų5690.2 Ų90.229%0.28744%0.441SS..Hα-helixtrans-57.1-37.3177.2-69.6169.9000110.3L103 Q104 F106 A113 V135 A136L103-I132 HydrophobicContact CB-CD1 4.27Å; L103-I132 WeakPolarHBondContact O-CD1 3.5Å; Q104-I132 PolarHBondContact O-N 2.92Å; F106-I132 HydrophobicContact CB-CG1 4.25Å; A113-I132 HydrophobicContact CB-CD1 3.71Å; A113-I132 HydrophobicContact CB-CG1 4.42Å; I132-V135 PolarHBondContact O-N 3.29Å; I132-A136 WeakPolarHBondContact O-CB 3.39Å; I132-A136 PolarHBondContact O-N 3.49Å
133E91.8Very high94.8Very high160 Ų16087.2 Ų87.275%0.74843%0.431SS*.Hα-helixtrans-62-42.7178.5-66.8172.4-169.400112L131 Q137L131-E133 PolarHBondContact O-N 3.44Å; E133-Q137 VanDerWaalsContact O-CB 3.25Å; E133-Q137 WeakPolarHBondContact O-CB 3.49Å; E133-Q137 PolarHBondContact O-N 3.29Å
134E94.7Very high95.1Very high103 Ų10387.4 Ų87.448%0.48143%0.431SS..Hα-helixtrans-64-50.7176.8-67.3170.9165.900111.2L131 A136 Q137 E138L131-E134 HydrophobicContact CB-CB 4.38Å; L131-E134 HydrophobicContact CB-CG 3.97Å; L131-E134 PolarHBondContact N-OE2 3.01Å; L131-E134 WeakPolarHBondContact O-CB 3.3Å; L131-E134 PolarHBondContact O-N 3.3Å; L131-E134 VanDerWaalsContact O-N 3.12Å; E134-A136 PolarHBondContact O-N 3.35Å; E134-Q137 WeakPolarHBondContact O-CB 3.38Å; E134-Q137 PolarHBondContact O-N 3.4Å; E134-Q137 VanDerWaalsContact O-N 3.17Å; E134-E138 PolarHBondContact O-N 3.19Å
135V94.5Very high95.3Very high8 Ų891.8 Ų91.85%0.04846%0.458CS..Hα-helixtrans-65.2-41.6-179.8176.80000110.9F106 A130 L131 I132 Q137 E138 Y139F106-V135 HydrophobicContact CB-CB 4.43Å; F106-V135 HydrophobicContact CB-CG2 4.09Å; F106-V135 HydrophobicContact CD1-CB 4.39Å; F106-V135 HydrophobicContact CD1-CG1 3.87Å; F106-V135 HydrophobicContact CD1-CG2 4.02Å; F106-V135 HydrophobicContact CE1-CG1 4.08Å; F106-V135 HydrophobicContact CG-CB 4.44Å; F106-V135 HydrophobicContact CG-CG1 4.15Å; F106-V135 HydrophobicContact CG-CG2 4.3Å; A130-V135 HydrophobicContact CB-CG2 3.66Å; L131-V135 PolarHBondContact O-N 3.42Å; L131-V135 VanDerWaalsContact O-N 3.11Å; I132-V135 PolarHBondContact O-N 3.29Å; V135-Q137 VanDerWaalsContact C-N 3.26Å; V135-Q137 PolarHBondContact O-N 2.98Å; V135-E138 PolarHBondContact O-N 3.08Å; V135-Y139 HydrophobicContact CG1-CD2 3.67Å; V135-Y139 HydrophobicContact CG1-CE2 3.54Å; V135-Y139 WeakPolarHBondContact O-CD2 3.46Å; V135-Y139 PolarHBondContact O-N 3.21Å
136A93.9Very high95.6Very high38 Ų3885.8 Ų85.831%0.31444%0.444SS..Hα-helixtrans-62.5-36.1175.600000111.6I132 E134 K140I132-A136 WeakPolarHBondContact O-CB 3.39Å; I132-A136 PolarHBondContact O-N 3.49Å; E134-A136 PolarHBondContact O-N 3.35Å; A136-K140 WeakPolarHBondContact O-CB 3.49Å; A136-K140 WeakPolarHBondContact O-CG 3.42Å; A136-K140 PolarHBondContact O-N 3.24Å
137Q95.7Very high95.8Very high90 Ų9086.8 Ų86.842%0.42143%0.43SS..Hα-helixtrans-67.4-46.4175.4-17557.728.700111.4E133 E134 V135 Y139 K140 E141E133-Q137 VanDerWaalsContact O-CB 3.25Å; E133-Q137 WeakPolarHBondContact O-CB 3.49Å; E133-Q137 PolarHBondContact O-N 3.29Å; E134-Q137 WeakPolarHBondContact O-CB 3.38Å; E134-Q137 PolarHBondContact O-N 3.4Å; E134-Q137 VanDerWaalsContact O-N 3.17Å; V135-Q137 VanDerWaalsContact C-N 3.26Å; V135-Q137 PolarHBondContact O-N 2.98Å; Q137-Y139 VanDerWaalsContact C-N 3.31Å; Q137-Y139 PolarHBondContact O-N 3.32Å; Q137-K140 PolarHBondContact O-N 3.15Å; Q137-K140 VanDerWaalsContact O-N 3.14Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.42Å; Q137-E141 PolarHBondContact NE2-OE1 2.83Å; Q137-E141 WeakPolarHBondContact O-CG 3.25Å; Q137-E141 PolarHBondContact O-N 3.3Å
138E94.1Very high95.9Very high77 Ų7790.8 Ų90.836%0.3645%0.449SS..Hα-helixtrans-53.9-47173.5-69.9176.9-165.100111.3R108 E134 V135 E141 Q142R108-E138 IonicContact CZ-OE1 2.86Å; R108-E138 IonicContact CZ-OE2 2.82Å; R108-E138 IonicContact NH1-OE2 3.93Å; R108-E138 IonicContact NH2-OE1 3.35Å; R108-E138 PolarHBondContact NH2-OE1 2.87Å; R108-E138 IonicContact NH2-OE2 3.96Å; R108-E138 PolarHBondContact NH2-OE2 3.07Å; E134-E138 PolarHBondContact O-N 3.19Å; V135-E138 PolarHBondContact O-N 3.08Å; E138-E141 PolarHBondContact O-N 2.78Å; E138-Q142 WeakPolarHBondContact O-CG 3.32Å; E138-Q142 PolarHBondContact O-N 3.06Å; E138-Q142 VanDerWaalsContact O-N 3.11Å
139Y93.9Very high96.1Very high105 Ų10591.3 Ų91.341%0.41245%0.446SS..Hα-helixtrans-67.3-38.7177.7-82.8-69.2000113M111 V135 Q137 E141 Q142 L143M111-Y139 WeakPolarHBondContact CE-OH 3.43Å; V135-Y139 HydrophobicContact CG1-CD2 3.67Å; V135-Y139 HydrophobicContact CG1-CE2 3.54Å; V135-Y139 WeakPolarHBondContact O-CD2 3.46Å; V135-Y139 PolarHBondContact O-N 3.21Å; Q137-Y139 VanDerWaalsContact C-N 3.31Å; Q137-Y139 PolarHBondContact O-N 3.32Å; Y139-E141 VanDerWaalsContact C-N 3.32Å; Y139-E141 PolarHBondContact O-N 3.32Å; Y139-Q142 PolarHBondContact O-N 2.82Å; Y139-L143 WeakPolarHBondContact O-CG 3.31Å; Y139-L143 PolarHBondContact O-N 3.43Å
140K97.3Very high96.2Very high128 Ų12894.3 Ų94.356%0.55746%0.46SS*.Hα-helixtrans-61.9-41.3175.5-79.9171.9-177.6177.50111.4A136 Q137 L143 Q144A136-K140 WeakPolarHBondContact O-CB 3.49Å; A136-K140 WeakPolarHBondContact O-CG 3.42Å; A136-K140 PolarHBondContact O-N 3.24Å; Q137-K140 PolarHBondContact O-N 3.15Å; Q137-K140 VanDerWaalsContact O-N 3.14Å; K140-L143 PolarHBondContact O-N 3.32Å; K140-Q144 WeakPolarHBondContact O-CB 3.33Å; K140-Q144 PolarHBondContact O-N 2.99Å
141E97.6Very high96.4Very high100 Ų10099.6 Ų99.647%0.46748%0.484SS..Hα-helixtrans-63.2-43.9176.8-72.7168.9-169.400111.5Q137 E138 Y139 L143 Q144 V145Q137-E141 WeakPolarHBondContact CG-OE1 3.42Å; Q137-E141 PolarHBondContact NE2-OE1 2.83Å; Q137-E141 WeakPolarHBondContact O-CG 3.25Å; Q137-E141 PolarHBondContact O-N 3.3Å; E138-E141 PolarHBondContact O-N 2.78Å; Y139-E141 VanDerWaalsContact C-N 3.32Å; Y139-E141 PolarHBondContact O-N 3.32Å; E141-L143 PolarHBondContact O-N 3.36Å; E141-Q144 WeakPolarHBondContact O-CB 3.42Å; E141-Q144 PolarHBondContact O-N 3.4Å; E141-V145 WeakPolarHBondContact O-CG2 3.33Å; E141-V145 PolarHBondContact O-N 3.16Å; E141-V145 VanDerWaalsContact O-N 3.07Å
142Q97Very high96.5Very high115 Ų11598.2 Ų98.254%0.53748%0.484SS..Hα-helixtrans-59.5-45.4173.8-70.1176.19.900112E138 Y139 Q144 V145 V146E138-Q142 WeakPolarHBondContact O-CG 3.32Å; E138-Q142 PolarHBondContact O-N 3.06Å; E138-Q142 VanDerWaalsContact O-N 3.11Å; Y139-Q142 PolarHBondContact O-N 2.82Å; Q142-Q144 VanDerWaalsContact C-N 3.3Å; Q142-Q144 PolarHBondContact O-N 2.92Å; Q142-V145 PolarHBondContact O-N 3.36Å; Q142-V146 WeakPolarHBondContact O-CG2 3.31Å; Q142-V146 PolarHBondContact O-N 3.07Å; Q142-V146 VanDerWaalsContact O-N 3.11Å
143L98Very high96.7Very high120 Ų12097.6 Ų97.663%0.62848%0.481SS*.Hα-helixtrans-64-35.9177.2-71.3175.5000112Y139 K140 E141 V146 L147Y139-L143 WeakPolarHBondContact O-CG 3.31Å; Y139-L143 PolarHBondContact O-N 3.43Å; K140-L143 PolarHBondContact O-N 3.32Å; E141-L143 PolarHBondContact O-N 3.36Å; L143-V146 PolarHBondContact O-N 3.5Å; L143-L147 VanDerWaalsContact O-CB 3.3Å; L143-L147 WeakPolarHBondContact O-CB 3.36Å; L143-L147 PolarHBondContact O-N 3.41Å
144Q98Very high97Very high112 Ų11296.2 Ų96.252%0.52347%0.473SS..Hα-helixtrans-65.1-40.6177-173172.1-8.600111.8K140 E141 Q142 L147 Q148K140-Q144 WeakPolarHBondContact O-CB 3.33Å; K140-Q144 PolarHBondContact O-N 2.99Å; E141-Q144 WeakPolarHBondContact O-CB 3.42Å; E141-Q144 PolarHBondContact O-N 3.4Å; Q142-Q144 VanDerWaalsContact C-N 3.3Å; Q142-Q144 PolarHBondContact O-N 2.92Å; Q144-L147 PolarHBondContact O-N 2.94Å; Q144-Q148 WeakPolarHBondContact O-CG 3.46Å; Q144-Q148 PolarHBondContact O-N 2.93Å
145V98.1Very high97.1Very high96 Ų9697.8 Ų97.858%0.58248%0.478SS*.Hα-helixtrans-62.8-45.8174.1174.20000111.2E141 Q142 L147 Q148 R149E141-V145 WeakPolarHBondContact O-CG2 3.33Å; E141-V145 PolarHBondContact O-N 3.16Å; E141-V145 VanDerWaalsContact O-N 3.07Å; Q142-V145 PolarHBondContact O-N 3.36Å; V145-L147 VanDerWaalsContact C-N 3.34Å; V145-L147 PolarHBondContact O-N 3.23Å; V145-Q148 PolarHBondContact O-N 3.02Å; V145-R149 PolarHBondContact O-N 3.46Å
146V97.9Very high97.3Very high78 Ų78103.5 Ų103.547%0.47350%0.502SS..Hα-helixtrans-62.6-42.5177.1175.20000110.9Q142 L143 Q148 R149 L150Q142-V146 WeakPolarHBondContact O-CG2 3.31Å; Q142-V146 PolarHBondContact O-N 3.07Å; Q142-V146 VanDerWaalsContact O-N 3.11Å; L143-V146 PolarHBondContact O-N 3.5Å; V146-Q148 PolarHBondContact O-N 3.46Å; V146-R149 WeakPolarHBondContact O-CB 3.4Å; V146-R149 PolarHBondContact O-N 2.73Å; V146-L150 HydrophobicContact CG1-CD1 3.99Å; V146-L150 HydrophobicContact CG1-CG 4.29Å; V146-L150 WeakPolarHBondContact O-CG 3.35Å; V146-L150 PolarHBondContact O-N 3.29Å
147L98.2Very high97.4Very high102 Ų102108.1 Ų108.153%0.53452%0.516SS..Hα-helixtrans-60-45.6177.5-179.862.2000111.6L143 Q144 V145 R149 L150 M151L143-L147 VanDerWaalsContact O-CB 3.3Å; L143-L147 WeakPolarHBondContact O-CB 3.36Å; L143-L147 PolarHBondContact O-N 3.41Å; Q144-L147 PolarHBondContact O-N 2.94Å; V145-L147 VanDerWaalsContact C-N 3.34Å; V145-L147 PolarHBondContact O-N 3.23Å; L147-R149 VanDerWaalsContact C-N 3.34Å; L147-R149 PolarHBondContact O-N 3.38Å; L147-L150 PolarHBondContact O-N 3.11Å; L147-M151 HydrophobicContact CD1-CG 4.47Å; L147-M151 HydrophobicContact CG-SD 4.31Å; L147-M151 WeakPolarHBondContact O-CG 3.43Å; L147-M151 PolarHBondContact O-N 3.42Å
148Q98.2Very high97.4Very high118 Ų118108.5 Ų108.555%0.55152%0.517SS*.Hα-helixtrans-60.5-42.5176.3-74.9-179.4-17.100112.1Q144 V145 V146 M151 A152Q144-Q148 WeakPolarHBondContact O-CG 3.46Å; Q144-Q148 PolarHBondContact O-N 2.93Å; V145-Q148 PolarHBondContact O-N 3.02Å; V146-Q148 PolarHBondContact O-N 3.46Å; Q148-M151 PolarHBondContact O-N 3.11Å; Q148-A152 PolarHBondContact O-N 2.83Å
149R98.4Very high97.5Very high179 Ų179108.9 Ų108.968%0.67552%0.522SS*.Hα-helixtrans-60.9-46.9175.1-178.8179.9174.7176.41.4111.7V145 V146 L147 M151 A152 D153V145-R149 PolarHBondContact O-N 3.46Å; V146-R149 WeakPolarHBondContact O-CB 3.4Å; V146-R149 PolarHBondContact O-N 2.73Å; L147-R149 VanDerWaalsContact C-N 3.34Å; L147-R149 PolarHBondContact O-N 3.38Å; R149-M151 VanDerWaalsContact C-N 3.32Å; R149-M151 PolarHBondContact O-N 3.04Å; R149-A152 WeakPolarHBondContact O-CB 3.26Å; R149-A152 PolarHBondContact O-N 3Å; R149-D153 IonicContact NE-OD2 2.71Å; R149-D153 PolarHBondContact O-N 2.9Å
150L98.5Very high97.7Very high105 Ų105111.1 Ų111.155%0.5553%0.529SS..Hα-helixtrans-63-38178.7-70.3174.8000112V146 L147 D153 K154V146-L150 HydrophobicContact CG1-CD1 3.99Å; V146-L150 HydrophobicContact CG1-CG 4.29Å; V146-L150 WeakPolarHBondContact O-CG 3.35Å; V146-L150 PolarHBondContact O-N 3.29Å; L147-L150 PolarHBondContact O-N 3.11Å; L150-D153 PolarHBondContact O-N 3.15Å; L150-K154 WeakPolarHBondContact O-CB 3.48Å; L150-K154 PolarHBondContact O-N 3.46Å
151M98.4Very high97.6Very high123 Ų123112 Ų11261%0.60653%0.533SS*.Hα-helixtrans-65.3-40.9174-71.8179.671.900112L147 Q148 R149 K154 K155L147-M151 HydrophobicContact CD1-CG 4.47Å; L147-M151 HydrophobicContact CG-SD 4.31Å; L147-M151 WeakPolarHBondContact O-CG 3.43Å; L147-M151 PolarHBondContact O-N 3.42Å; Q148-M151 PolarHBondContact O-N 3.11Å; R149-M151 VanDerWaalsContact C-N 3.32Å; R149-M151 PolarHBondContact O-N 3.04Å; M151-K154 PolarHBondContact O-N 3.31Å; M151-K155 PolarHBondContact O-N 3.41Å; M151-K155 VanDerWaalsContact O-N 3.11Å
152A98.2Very high97.5Very high49 Ų49111.3 Ų111.341%0.40553%0.533SS..Hα-helixtrans-64.5-43.5175.500000111.7Q148 R149 K155 K156Q148-A152 PolarHBondContact O-N 2.83Å; R149-A152 WeakPolarHBondContact O-CB 3.26Å; R149-A152 PolarHBondContact O-N 3Å; A152-K155 PolarHBondContact O-N 3.3Å; A152-K156 WeakPolarHBondContact O-CG 3.33Å; A152-K156 PolarHBondContact O-N 3.14Å; A152-K156 VanDerWaalsContact O-N 3.07Å
153D98.1Very high97.5Very high44 Ų44109.4 Ų109.424%0.23553%0.526CS..Hα-helixtrans-66.7-40.5177.8-71.1-20.8000111.5R149 L150 K155 K156 F157R149-D153 IonicContact NE-OD2 2.71Å; R149-D153 PolarHBondContact O-N 2.9Å; L150-D153 PolarHBondContact O-N 3.15Å; D153-K155 VanDerWaalsContact C-N 3.3Å; D153-K155 PolarHBondContact O-N 2.94Å; D153-K156 WeakPolarHBondContact O-CB 3.36Å; D153-K156 PolarHBondContact O-N 2.91Å; D153-K156 VanDerWaalsContact O-N 3.1Å; D153-K156 IonicContact OD1-NZ 3.66Å; D153-K156 PolarHBondContact OD1-NZ 3.31Å; D153-F157 WeakPolarHBondContact O-CD2 3.4Å; D153-F157 PolarHBondContact O-N 3.47Å
154K98Very high97.5Very high131 Ų131108.1 Ų108.157%0.5752%0.52SS*.Hα-helixtrans-54.2-46.5171.6-179-177.2172.3-171.20111.5L150 M151 K156 F157 E158L150-K154 WeakPolarHBondContact O-CB 3.48Å; L150-K154 PolarHBondContact O-N 3.46Å; M151-K154 PolarHBondContact O-N 3.31Å; K154-K156 VanDerWaalsContact C-N 3.33Å; K154-K156 PolarHBondContact O-N 3.46Å; K154-F157 PolarHBondContact O-N 2.95Å; K154-E158 WeakPolarHBondContact CE-OE1 3.34Å; K154-E158 IonicContact NZ-OE1 3.9Å; K154-E158 PolarHBondContact O-N 3.37Å
155K97.7Very high97.5Very high135 Ų135108.5 Ų108.559%0.58752%0.521SS*.Hα-helixtrans-63-37.2177.7-172177.3-178.6179.80112.4M151 A152 D153 E158 N159M151-K155 PolarHBondContact O-N 3.41Å; M151-K155 VanDerWaalsContact O-N 3.11Å; A152-K155 PolarHBondContact O-N 3.3Å; D153-K155 VanDerWaalsContact C-N 3.3Å; D153-K155 PolarHBondContact O-N 2.94Å; K155-E158 PolarHBondContact O-N 2.95Å; K155-N159 PolarHBondContact O-N 3.44Å
156K97.7Very high97.5Very high129 Ų129109.7 Ų109.756%0.56152%0.519SS*.Hα-helixtrans-62.4-42.6174-67173-168159.40111.5A152 D153 K154 E158 N159 W160A152-K156 WeakPolarHBondContact O-CG 3.33Å; A152-K156 PolarHBondContact O-N 3.14Å; A152-K156 VanDerWaalsContact O-N 3.07Å; D153-K156 WeakPolarHBondContact O-CB 3.36Å; D153-K156 PolarHBondContact O-N 2.91Å; D153-K156 VanDerWaalsContact O-N 3.1Å; D153-K156 IonicContact OD1-NZ 3.66Å; D153-K156 PolarHBondContact OD1-NZ 3.31Å; K154-K156 VanDerWaalsContact C-N 3.33Å; K154-K156 PolarHBondContact O-N 3.46Å; K156-E158 VanDerWaalsContact C-N 3.33Å; K156-N159 PolarHBondContact O-N 2.92Å; K156-W160 WeakPolarHBondContact O-CB 3.41Å; K156-W160 PolarHBondContact O-N 2.83Å
157F96.5Very high97.5Very high135 Ų135110 Ų11059%0.59252%0.518SS*.Hα-helixtrans-65.2-36.6177-74.8-65.5000112.6D153 K154 W160 K161D153-F157 WeakPolarHBondContact O-CD2 3.4Å; D153-F157 PolarHBondContact O-N 3.47Å; K154-F157 PolarHBondContact O-N 2.95Å; F157-W160 AromaticContact CD1-CE3 3.96Å; F157-W160 HydrophobicContact CD1-CE3 3.96Å; F157-W160 HydrophobicContact CD1-CZ3 4.33Å; F157-W160 HydrophobicContact CE1-CE3 4.14Å; F157-W160 HydrophobicContact CE1-CZ3 4.08Å; F157-W160 PolarHBondContact O-N 3.5Å; F157-K161 PolarHBondContact O-N 3.07Å
158E95.3Very high97.6Very high97 Ų97113.9 Ų113.945%0.45353%0.526SS..Hα-helixtrans-63.4-48.7173.5-71.7169.417000111.3K154 K155 K156 W160 K161 D162K154-E158 WeakPolarHBondContact CE-OE1 3.34Å; K154-E158 IonicContact NZ-OE1 3.9Å; K154-E158 PolarHBondContact O-N 3.37Å; K155-E158 PolarHBondContact O-N 2.95Å; K156-E158 VanDerWaalsContact C-N 3.33Å; E158-W160 VanDerWaalsContact C-N 3.35Å; E158-W160 PolarHBondContact O-N 3.36Å; E158-K161 WeakPolarHBondContact O-CB 3.39Å; E158-K161 PolarHBondContact O-N 2.83Å; E158-D162 PolarHBondContact O-N 2.8Å
159N96.6Very high97.6Very high86 Ų86111.4 Ų111.446%0.4652%0.519SS..Hα-helixtrans-61-41.9175.5-71.2-6.5000112.5K155 K156 K161 D162 D163K155-N159 PolarHBondContact O-N 3.44Å; K156-N159 PolarHBondContact O-N 2.92Å; N159-K161 VanDerWaalsContact C-N 3.28Å; N159-K161 PolarHBondContact O-N 3.42Å; N159-D162 WeakPolarHBondContact O-CB 3.49Å; N159-D162 PolarHBondContact O-N 2.92Å; N159-D162 VanDerWaalsContact O-N 3.12Å; N159-D163 PolarHBondContact O-N 3.42Å
160W97.3Very high97.6Very high151 Ų151108.6 Ų108.657%0.57251%0.509SS*.Hα-helixtrans-62.7-37.5178.7-175.617.4000111.6K156 F157 E158 D162 D163 L164K156-W160 WeakPolarHBondContact O-CB 3.41Å; K156-W160 PolarHBondContact O-N 2.83Å; F157-W160 AromaticContact CD1-CE3 3.96Å; F157-W160 HydrophobicContact CD1-CE3 3.96Å; F157-W160 HydrophobicContact CD1-CZ3 4.33Å; F157-W160 HydrophobicContact CE1-CE3 4.14Å; F157-W160 HydrophobicContact CE1-CZ3 4.08Å; F157-W160 PolarHBondContact O-N 3.5Å; E158-W160 VanDerWaalsContact C-N 3.35Å; E158-W160 PolarHBondContact O-N 3.36Å; W160-D162 VanDerWaalsContact C-N 3.31Å; W160-D162 PolarHBondContact O-N 3.03Å; W160-D163 PolarHBondContact O-N 3.02Å; W160-L164 WeakPolarHBondContact O-CG 3.19Å; W160-L164 PolarHBondContact O-N 3.1Å
161K95.3Very high97.6Very high147 Ų147111 Ų11164%0.63951%0.51SS*.Hα-helixtrans-59.8-42.8173.7-175.3-176.1175.8-173.60111.6F157 E158 N159 L164 Q165F157-K161 PolarHBondContact O-N 3.07Å; E158-K161 WeakPolarHBondContact O-CB 3.39Å; E158-K161 PolarHBondContact O-N 2.83Å; N159-K161 VanDerWaalsContact C-N 3.28Å; N159-K161 PolarHBondContact O-N 3.42Å; K161-L164 PolarHBondContact O-N 2.95Å; K161-Q165 PolarHBondContact O-N 3.13Å; K161-Q165 VanDerWaalsContact O-N 3.12Å
162D96.1Very high97.6Very high85 Ų85111 Ų11146%0.45551%0.509SS..Hα-helixtrans-65.9-40.9177.5-67.2-18.3000111.7E158 N159 W160 Q165 K166E158-D162 PolarHBondContact O-N 2.8Å; N159-D162 WeakPolarHBondContact O-CB 3.49Å; N159-D162 PolarHBondContact O-N 2.92Å; N159-D162 VanDerWaalsContact O-N 3.12Å; W160-D162 VanDerWaalsContact C-N 3.31Å; W160-D162 PolarHBondContact O-N 3.03Å; D162-Q165 PolarHBondContact O-N 3.29Å; D162-K166 WeakPolarHBondContact O-CG 3.25Å; D162-K166 PolarHBondContact O-N 3.07Å
163D97.9Very high97.6Very high75 Ų75113.3 Ų113.340%0.40152%0.515SS..Hα-helixtrans-66-41.2177.4-68-24.2000112N159 W160 Q165 K166 D167N159-D163 PolarHBondContact O-N 3.42Å; W160-D163 PolarHBondContact O-N 3.02Å; D163-Q165 VanDerWaalsContact C-N 3.25Å; D163-Q165 PolarHBondContact O-N 3.37Å; D163-K166 WeakPolarHBondContact O-CB 3.37Å; D163-K166 PolarHBondContact O-N 3.46Å; D163-K166 VanDerWaalsContact O-N 3.16Å; D163-K166 IonicContact OD1-NZ 2.67Å; D163-K166 PolarHBondContact OD1-NZ 3.48Å; D163-D167 PolarHBondContact O-N 3.48Å
164L98.1Very high97.6Very high93 Ų93114 Ų11449%0.48752%0.517SS..Hα-helixtrans-61.1-35.1173.1-73.4174000112.5W160 K161 R168W160-L164 WeakPolarHBondContact O-CG 3.19Å; W160-L164 PolarHBondContact O-N 3.1Å; K161-L164 PolarHBondContact O-N 2.95Å; L164-R168 WeakPolarHBondContact O-CB 3.32Å; L164-R168 PolarHBondContact O-N 3.48Å
165Q97.9Very high97.7Very high120 Ų120112.5 Ų112.556%0.56151%0.514SS*.Hα-helixtrans-70.3-40.2176.1-174.1170.3-27.200111.4K161 D162 D163 R168 T169K161-Q165 PolarHBondContact O-N 3.13Å; K161-Q165 VanDerWaalsContact O-N 3.12Å; D162-Q165 PolarHBondContact O-N 3.29Å; D163-Q165 VanDerWaalsContact C-N 3.25Å; D163-Q165 PolarHBondContact O-N 3.37Å; Q165-R168 PolarHBondContact O-N 2.88Å; Q165-T169 WeakPolarHBondContact O-CG2 3.33Å; Q165-T169 PolarHBondContact O-N 3.36Å; Q165-T169 PolarHBondContact O-OG1 3.45Å
166K97.8Very high97.7Very high121 Ų121111 Ų11153%0.52651%0.509SS..Hα-helixtrans-60.2-49.4172.4-67.5170.7-162.2153.60111D162 D163 R168 T169 Y170D162-K166 WeakPolarHBondContact O-CG 3.25Å; D162-K166 PolarHBondContact O-N 3.07Å; D163-K166 WeakPolarHBondContact O-CB 3.37Å; D163-K166 PolarHBondContact O-N 3.46Å; D163-K166 VanDerWaalsContact O-N 3.16Å; D163-K166 IonicContact OD1-NZ 2.67Å; D163-K166 PolarHBondContact OD1-NZ 3.48Å; K166-R168 VanDerWaalsContact C-N 3.3Å; K166-R168 PolarHBondContact O-N 2.86Å; K166-T169 PolarHBondContact O-N 3.2Å; K166-T169 VanDerWaalsContact O-N 3.16Å; K166-T169 PolarHBondContact O-OG1 2.91Å; K166-Y170 WeakPolarHBondContact O-CB 3.44Å; K166-Y170 PolarHBondContact O-N 2.96Å
167D98.4Very high97.7Very high86 Ų86110.5 Ų110.546%0.4651%0.506SS..Hα-helixtrans-58.4-43.1178.7-75.2-9.8000111.5D163 T169 Y170 W171D163-D167 PolarHBondContact O-N 3.48Å; D167-T169 PolarHBondContact O-N 3.47Å; D167-Y170 PolarHBondContact O-N 2.92Å; D167-W171 PolarHBondContact O-N 3.03Å
168R98.5Very high97.9Very high183 Ų183107.9 Ų107.969%0.69150%0.499SS*.Hα-helixtrans-56.4-53.2174.7178.6-175.2-64.1-93-2.8111.3L164 Q165 K166 Y170 W171 E172L164-R168 WeakPolarHBondContact O-CB 3.32Å; L164-R168 PolarHBondContact O-N 3.48Å; Q165-R168 PolarHBondContact O-N 2.88Å; K166-R168 VanDerWaalsContact C-N 3.3Å; K166-R168 PolarHBondContact O-N 2.86Å; R168-Y170 VanDerWaalsContact C-N 3.3Å; R168-Y170 PolarHBondContact O-N 3.15Å; R168-W171 PolarHBondContact O-N 3.27Å; R168-E172 WeakPolarHBondContact O-CB 3.48Å; R168-E172 PolarHBondContact O-N 3.09Å
169T98.4Very high98Very high66 Ų66106.3 Ų106.341%0.40550%0.496SS..Hα-helixtrans-65.1-35.4-179.257.10000112.3Q165 K166 D167 N173Q165-T169 WeakPolarHBondContact O-CG2 3.33Å; Q165-T169 PolarHBondContact O-N 3.36Å; Q165-T169 PolarHBondContact O-OG1 3.45Å; K166-T169 PolarHBondContact O-N 3.2Å; K166-T169 VanDerWaalsContact O-N 3.16Å; K166-T169 PolarHBondContact O-OG1 2.91Å; D167-T169 PolarHBondContact O-N 3.47Å; T169-N173 WeakPolarHBondContact O-CB 3.26Å; T169-N173 VanDerWaalsContact O-CG 3.26Å; T169-N173 PolarHBondContact O-N 3Å; T169-N173 VanDerWaalsContact O-N 3.14Å; T169-N173 PolarHBondContact O-ND2 3.08Å
170Y98.6Very high98.1Very high119 Ų119107.4 Ų107.447%0.46750%0.498SS..Hα-helixtrans-61.6-54.5175.5173-96.6000110.5K166 D167 R168 E172 N173 Q174K166-Y170 WeakPolarHBondContact O-CB 3.44Å; K166-Y170 PolarHBondContact O-N 2.96Å; D167-Y170 PolarHBondContact O-N 2.92Å; R168-Y170 VanDerWaalsContact C-N 3.3Å; R168-Y170 PolarHBondContact O-N 3.15Å; Y170-E172 PolarHBondContact O-N 3.41Å; Y170-N173 PolarHBondContact O-N 2.93Å; Y170-Q174 HydrophobicContact CD1-CG 4.25Å; Y170-Q174 HydrophobicContact CD2-CG 4.43Å; Y170-Q174 HydrophobicContact CE1-CG 3.83Å; Y170-Q174 HydrophobicContact CE2-CG 4.05Å; Y170-Q174 WeakPolarHBondContact O-CG 3.47Å; Y170-Q174 PolarHBondContact O-N 3.2Å
171W98.7Very high98.2Very high155 Ų155103.9 Ų103.959%0.58749%0.49SS*.Hα-helixtrans-65.6-38.3-178.4-74.2117.7000112.9D167 R168 N173 Q174 I175D167-W171 PolarHBondContact O-N 3.03Å; R168-W171 PolarHBondContact O-N 3.27Å; W171-N173 VanDerWaalsContact C-N 3.35Å; W171-N173 PolarHBondContact O-N 3.44Å; W171-Q174 HydrophobicContact CE3-CB 4.42Å; W171-Q174 PolarHBondContact O-N 3.47Å; W171-I175 WeakPolarHBondContact O-CB 3.38Å; W171-I175 VanDerWaalsContact O-CG1 3.26Å; W171-I175 WeakPolarHBondContact O-CG1 3.48Å; W171-I175 PolarHBondContact O-N 2.74Å
172E98.5Very high98.3Very high124 Ų124100.9 Ų100.958%0.57948%0.484SS*.Hα-helixtrans-58.9-46.4175.1-174.8166.7-147.900111.5R168 Y170 Q176R168-E172 WeakPolarHBondContact O-CB 3.48Å; R168-E172 PolarHBondContact O-N 3.09Å; Y170-E172 PolarHBondContact O-N 3.41Å; E172-Q176 WeakPolarHBondContact O-CB 3.49Å; E172-Q176 PolarHBondContact O-N 3.29Å
173N98.5Very high98.4Very high98 Ų98105.3 Ų105.352%0.52449%0.494SS..Hα-helixtrans-66.3-40.3176.7-72.4-34.6000112.8T169 Y170 W171 Q176 K177T169-N173 WeakPolarHBondContact O-CB 3.26Å; T169-N173 VanDerWaalsContact O-CG 3.26Å; T169-N173 PolarHBondContact O-N 3Å; T169-N173 VanDerWaalsContact O-N 3.14Å; T169-N173 PolarHBondContact O-ND2 3.08Å; Y170-N173 PolarHBondContact O-N 2.93Å; W171-N173 VanDerWaalsContact C-N 3.35Å; W171-N173 PolarHBondContact O-N 3.44Å; N173-Q176 PolarHBondContact O-N 3.16Å; N173-K177 WeakPolarHBondContact O-CB 3.5Å; N173-K177 PolarHBondContact O-N 2.96Å
174Q98.7Very high98.5Very high59 Ų59104.5 Ų104.528%0.27650%0.495SS..Hα-helixtrans-63.4-49.1177.3-69.8-55.8-2400111.3Y170 W171 Q176 K177 D178Y170-Q174 HydrophobicContact CD1-CG 4.25Å; Y170-Q174 HydrophobicContact CD2-CG 4.43Å; Y170-Q174 HydrophobicContact CE1-CG 3.83Å; Y170-Q174 HydrophobicContact CE2-CG 4.05Å; Y170-Q174 WeakPolarHBondContact O-CG 3.47Å; Y170-Q174 PolarHBondContact O-N 3.2Å; W171-Q174 HydrophobicContact CE3-CB 4.42Å; W171-Q174 PolarHBondContact O-N 3.47Å; Q174-Q176 VanDerWaalsContact C-N 3.3Å; Q174-Q176 PolarHBondContact O-N 2.67Å; Q174-K177 WeakPolarHBondContact O-CB 3.15Å; Q174-K177 PolarHBondContact O-N 3.3Å; Q174-K177 VanDerWaalsContact O-N 3.15Å; Q174-D178 PolarHBondContact O-N 3.29Å
175I98.6Very high98.5Very high99 Ų99105.4 Ų105.451%0.50850%0.497SS..Hα-helixtrans-61.8-40.8178.4-66-62.2000110.7W171 K177 D178 V179W171-I175 WeakPolarHBondContact O-CB 3.38Å; W171-I175 VanDerWaalsContact O-CG1 3.26Å; W171-I175 WeakPolarHBondContact O-CG1 3.48Å; W171-I175 PolarHBondContact O-N 2.74Å; I175-K177 VanDerWaalsContact C-N 3.35Å; I175-K177 PolarHBondContact O-N 3.42Å; I175-D178 PolarHBondContact O-N 3.08Å; I175-V179 HydrophobicContact CG2-CG2 4.39Å; I175-V179 WeakPolarHBondContact O-CB 3.43Å; I175-V179 VanDerWaalsContact O-CG2 3.25Å; I175-V179 WeakPolarHBondContact O-CG2 3.46Å; I175-V179 PolarHBondContact O-N 3.36Å
176Q98.6Very high98.5Very high104 Ų104105.6 Ų105.649%0.48650%0.496SS..Hα-helixtrans-62.1-42.5176-177176.7-26.100112.1E172 N173 Q174 V179 Q180E172-Q176 WeakPolarHBondContact O-CB 3.49Å; E172-Q176 PolarHBondContact O-N 3.29Å; N173-Q176 PolarHBondContact O-N 3.16Å; Q174-Q176 VanDerWaalsContact C-N 3.3Å; Q174-Q176 PolarHBondContact O-N 2.67Å; Q176-V179 PolarHBondContact O-N 2.89Å; Q176-Q180 WeakPolarHBondContact O-CG 3.3Å; Q176-Q180 PolarHBondContact O-N 3.3Å
177K98.5Very high98.5Very high117 Ų117105.9 Ų105.951%0.50950%0.497SS..Hα-helixtrans-62.8-45.4176.3-175.1-179.2177.9-175.30111.4N173 Q174 I175 V179 Q180 N181N173-K177 WeakPolarHBondContact O-CB 3.5Å; N173-K177 PolarHBondContact O-N 2.96Å; Q174-K177 WeakPolarHBondContact O-CB 3.15Å; Q174-K177 PolarHBondContact O-N 3.3Å; Q174-K177 VanDerWaalsContact O-N 3.15Å; I175-K177 VanDerWaalsContact C-N 3.35Å; I175-K177 PolarHBondContact O-N 3.42Å; K177-V179 PolarHBondContact O-N 3.35Å; K177-Q180 PolarHBondContact O-N 2.95Å; K177-N181 WeakPolarHBondContact O-CB 3.24Å; K177-N181 VanDerWaalsContact O-CG 3.25Å; K177-N181 PolarHBondContact O-N 3.33Å; K177-N181 PolarHBondContact O-OD1 3.5Å
178D98.6Very high98.6Very high80 Ų80109.3 Ų109.343%0.42850%0.503SS..Hα-helixtrans-63.3-42.4178.2-71-15.4000111.6Q174 I175 Q180 N181 V182Q174-D178 PolarHBondContact O-N 3.29Å; I175-D178 PolarHBondContact O-N 3.08Å; D178-Q180 VanDerWaalsContact C-N 3.33Å; D178-Q180 PolarHBondContact O-N 3.01Å; D178-N181 PolarHBondContact O-N 2.89Å; D178-V182 WeakPolarHBondContact O-CG2 3.41Å; D178-V182 PolarHBondContact O-N 3.35Å
179V98.6Very high98.6Very high65 Ų65105.9 Ų105.939%0.39450%0.497SS..Hα-helixtrans-59.6-43.2173.9167.60000111.4I175 Q176 K177 R183I175-V179 HydrophobicContact CG2-CG2 4.39Å; I175-V179 WeakPolarHBondContact O-CB 3.43Å; I175-V179 VanDerWaalsContact O-CG2 3.25Å; I175-V179 WeakPolarHBondContact O-CG2 3.46Å; I175-V179 PolarHBondContact O-N 3.36Å; Q176-V179 PolarHBondContact O-N 2.89Å; K177-V179 PolarHBondContact O-N 3.35Å; V179-R183 WeakPolarHBondContact O-CB 3.37Å; V179-R183 VanDerWaalsContact O-CG 3.24Å; V179-R183 WeakPolarHBondContact O-CG 3.3Å; V179-R183 PolarHBondContact O-N 3.16Å
180Q98.6Very high98.6Very high109 Ų109109.7 Ų109.751%0.50950%0.504SS..Hα-helixtrans-65.6-43.6177-74.8-179.8-900111.9Q176 K177 D178 R183 S184Q176-Q180 WeakPolarHBondContact O-CG 3.3Å; Q176-Q180 PolarHBondContact O-N 3.3Å; K177-Q180 PolarHBondContact O-N 2.95Å; D178-Q180 VanDerWaalsContact C-N 3.33Å; D178-Q180 PolarHBondContact O-N 3.01Å; Q180-R183 PolarHBondContact O-N 3.02Å; Q180-S184 WeakPolarHBondContact O-CB 3.23Å; Q180-S184 PolarHBondContact O-N 3.21Å; Q180-S184 PolarHBondContact O-OG 2.71Å
181N98.6Very high98.6Very high76 Ų76108.3 Ų108.341%0.40650%0.504SS..Hα-helixtrans-57.9-53.5176.6-72.9-9.3000110.8K177 D178 R183 S184 E185K177-N181 WeakPolarHBondContact O-CB 3.24Å; K177-N181 VanDerWaalsContact O-CG 3.25Å; K177-N181 PolarHBondContact O-N 3.33Å; K177-N181 PolarHBondContact O-OD1 3.5Å; D178-N181 PolarHBondContact O-N 2.89Å; N181-R183 VanDerWaalsContact C-N 3.32Å; N181-R183 PolarHBondContact O-N 3.07Å; N181-S184 PolarHBondContact O-N 2.72Å; N181-S184 VanDerWaalsContact O-N 3.08Å; N181-S184 PolarHBondContact O-OG 3.06Å; N181-E185 WeakPolarHBondContact O-CG 3.4Å; N181-E185 PolarHBondContact O-N 3.34Å
182V98.5Very high98.5Very high84 Ų84105.7 Ų105.751%0.50950%0.501SS..Hα-helixtrans-55.8-48.2177.5172.20000110.4D178 S184 E185 F186D178-V182 WeakPolarHBondContact O-CG2 3.41Å; D178-V182 PolarHBondContact O-N 3.35Å; V182-S184 VanDerWaalsContact C-N 3.31Å; V182-S184 PolarHBondContact O-N 2.81Å; V182-E185 PolarHBondContact O-N 3.5Å; V182-F186 HydrophobicContact CG1-CD2 3.72Å; V182-F186 HydrophobicContact CG1-CE2 3.88Å; V182-F186 VanDerWaalsContact O-CD2 3.3Å; V182-F186 WeakPolarHBondContact O-CD2 3.4Å; V182-F186 PolarHBondContact O-N 2.97Å
183R98.6Very high98.5Very high178 Ų178105.3 Ų105.367%0.67250%0.501SS*.Hα-helixtrans-58.5-41.3177.7-76.5174175.3-179.40.5112.8V179 Q180 N181 K187V179-R183 WeakPolarHBondContact O-CB 3.37Å; V179-R183 VanDerWaalsContact O-CG 3.24Å; V179-R183 WeakPolarHBondContact O-CG 3.3Å; V179-R183 PolarHBondContact O-N 3.16Å; Q180-R183 PolarHBondContact O-N 3.02Å; N181-R183 VanDerWaalsContact C-N 3.32Å; N181-R183 PolarHBondContact O-N 3.07Å; R183-K187 WeakPolarHBondContact O-CB 3.49Å; R183-K187 PolarHBondContact O-N 3.27Å
184S98.5Very high98.5Very high59 Ų59104.3 Ų104.341%0.41350%0.495SS..Hα-helixtrans-69.2-41.2-179.469.10000112.7Q180 N181 V182 K187 R188Q180-S184 WeakPolarHBondContact O-CB 3.23Å; Q180-S184 PolarHBondContact O-N 3.21Å; Q180-S184 PolarHBondContact O-OG 2.71Å; N181-S184 PolarHBondContact O-N 2.72Å; N181-S184 VanDerWaalsContact O-N 3.08Å; N181-S184 PolarHBondContact O-OG 3.06Å; V182-S184 VanDerWaalsContact C-N 3.31Å; V182-S184 PolarHBondContact O-N 2.81Å; S184-K187 WeakPolarHBondContact O-CB 3.48Å; S184-K187 PolarHBondContact O-N 3.31Å; S184-R188 PolarHBondContact O-N 3.22Å
185E98.5Very high98.5Very high112 Ų112104.9 Ų104.952%0.52351%0.506SS..Hα-helixtrans-64.8-45.3176.7-70.4-56.6131.400111.2N181 V182 K187 R188 M189N181-E185 WeakPolarHBondContact O-CG 3.4Å; N181-E185 PolarHBondContact O-N 3.34Å; V182-E185 PolarHBondContact O-N 3.5Å; E185-K187 VanDerWaalsContact C-N 3.31Å; E185-K187 PolarHBondContact O-N 3.25Å; E185-R188 WeakPolarHBondContact O-CB 3.36Å; E185-R188 PolarHBondContact O-N 2.68Å; E185-M189 PolarHBondContact O-N 2.93Å
186F98.5Very high98.5Very high124 Ų124104 Ų10454%0.54450%0.5SS..Hα-helixtrans-68.4-28.6176-85.7-83.5000113.2V182 R190V182-F186 HydrophobicContact CG1-CD2 3.72Å; V182-F186 HydrophobicContact CG1-CE2 3.88Å; V182-F186 VanDerWaalsContact O-CD2 3.3Å; V182-F186 WeakPolarHBondContact O-CD2 3.4Å; V182-F186 PolarHBondContact O-N 2.97Å; F186-R190 WeakPolarHBondContact O-CG 3.34Å; F186-R190 PolarHBondContact O-N 2.91Å; F186-R190 PolarHBondContact O-NE 3.41Å; F186-R190 VanDerWaalsContact O-NE 3.12Å
187K98.6Very high98.5Very high126 Ų126104.8 Ų104.855%0.54850%0.503SS..Hα-helixtrans-65.7-50.9170.3-175.5-174174.3-171.50110.2R183 S184 E185 M189 R190 D191R183-K187 WeakPolarHBondContact O-CB 3.49Å; R183-K187 PolarHBondContact O-N 3.27Å; S184-K187 WeakPolarHBondContact O-CB 3.48Å; S184-K187 PolarHBondContact O-N 3.31Å; E185-K187 VanDerWaalsContact C-N 3.31Å; E185-K187 PolarHBondContact O-N 3.25Å; K187-M189 VanDerWaalsContact C-N 3.28Å; K187-M189 PolarHBondContact O-N 2.96Å; K187-R190 WeakPolarHBondContact O-CB 3.36Å; K187-R190 PolarHBondContact O-N 3.12Å; K187-R190 VanDerWaalsContact O-N 3.1Å; K187-D191 PolarHBondContact O-N 2.87Å
188R98.6Very high98.5Very high158 Ų158106 Ų10660%0.59651%0.508SS*.Hα-helixtrans-56.2-42.9177.8-176.9-176.6-178.2177.61.7112.1S184 E185 R190 D191 I192S184-R188 PolarHBondContact O-N 3.22Å; E185-R188 WeakPolarHBondContact O-CB 3.36Å; E185-R188 PolarHBondContact O-N 2.68Å; R188-R190 PolarHBondContact O-N 3.02Å; R188-D191 PolarHBondContact O-N 3.4Å; R188-I192 HydrophobicContact CG-CD1 4.18Å; R188-I192 WeakPolarHBondContact O-CG1 3.44Å; R188-I192 PolarHBondContact O-N 3.3Å
189M98.4Very high98.5Very high111 Ų111106.7 Ų106.755%0.54751%0.508SS..Hα-helixtrans-61.9-42.5177.6-171.6173.1-177.200112E185 K187 I192 M193E185-M189 PolarHBondContact O-N 2.93Å; K187-M189 VanDerWaalsContact C-N 3.28Å; K187-M189 PolarHBondContact O-N 2.96Å; M189-I192 PolarHBondContact O-N 3.1Å; M189-M193 HydrophobicContact CG-SD 4.5Å; M189-M193 WeakPolarHBondContact O-CG 3.47Å; M189-M193 PolarHBondContact O-N 3.27Å
190R98.4Very high98.5Very high147 Ų147107.3 Ų107.356%0.55551%0.506SS*.Hα-helixtrans-63.6-44.6174.6-76.8179.2-74.2-156.40.6112.3F186 K187 R188 I192 M193 D194F186-R190 WeakPolarHBondContact O-CG 3.34Å; F186-R190 PolarHBondContact O-N 2.91Å; F186-R190 PolarHBondContact O-NE 3.41Å; F186-R190 VanDerWaalsContact O-NE 3.12Å; K187-R190 WeakPolarHBondContact O-CB 3.36Å; K187-R190 PolarHBondContact O-N 3.12Å; K187-R190 VanDerWaalsContact O-N 3.1Å; R188-R190 PolarHBondContact O-N 3.02Å; R190-I192 VanDerWaalsContact C-N 3.26Å; R190-I192 PolarHBondContact O-N 3.32Å; R190-M193 PolarHBondContact O-N 3.11Å; R190-M193 VanDerWaalsContact O-N 3.11Å; R190-D194 PolarHBondContact O-N 2.95Å
191D98.5Very high98.5Very high89 Ų89105.8 Ų105.848%0.47650%0.501SS..Hα-helixtrans-59.3-38.7178.2-64-24.8000111.6K187 R188 S195K187-D191 PolarHBondContact O-N 2.87Å; R188-D191 PolarHBondContact O-N 3.4Å; D191-S195 WeakPolarHBondContact O-CB 3.49Å; D191-S195 PolarHBondContact O-N 3.11Å; D191-S195 VanDerWaalsContact O-N 3.11Å
192I98.5Very high98.5Very high100 Ų100108.5 Ų108.551%0.51351%0.511SS..Hα-helixtrans-65.9-47.1174.5-67.8166.3000110.9R188 M189 R190 S195 E196R188-I192 HydrophobicContact CG-CD1 4.18Å; R188-I192 WeakPolarHBondContact O-CG1 3.44Å; R188-I192 PolarHBondContact O-N 3.3Å; M189-I192 PolarHBondContact O-N 3.1Å; R190-I192 VanDerWaalsContact C-N 3.26Å; R190-I192 PolarHBondContact O-N 3.32Å; I192-S195 PolarHBondContact O-N 3.01Å; I192-E196 PolarHBondContact O-N 2.94Å
193M98.1Very high98.5Very high117 Ų117108.8 Ų108.858%0.57651%0.506SS*.Hα-helixtrans-60.9-46.8179.4-73.8-179.963.100111.9M189 R190 S195 E196 E197M189-M193 HydrophobicContact CG-SD 4.5Å; M189-M193 WeakPolarHBondContact O-CG 3.47Å; M189-M193 PolarHBondContact O-N 3.27Å; R190-M193 PolarHBondContact O-N 3.11Å; R190-M193 VanDerWaalsContact O-N 3.11Å; M193-S195 VanDerWaalsContact C-N 3.26Å; M193-S195 PolarHBondContact O-N 2.94Å; M193-E196 PolarHBondContact O-N 3.08Å; M193-E197 WeakPolarHBondContact O-CB 3.37Å; M193-E197 PolarHBondContact O-N 3.13Å
194D98.4Very high98.5Very high76 Ų76105.3 Ų105.341%0.40650%0.5SS..Hα-helixtrans-62.4-36178.1-69.7-4.1000111.6R190 K198R190-D194 PolarHBondContact O-N 2.95Å; D194-K198 WeakPolarHBondContact O-CB 3.46Å; D194-K198 WeakPolarHBondContact O-CD 3.22Å; D194-K198 VanDerWaalsContact O-CG 3.22Å; D194-K198 WeakPolarHBondContact O-CG 3.44Å; D194-K198 PolarHBondContact O-N 3.35Å; D194-K198 VanDerWaalsContact O-N 3.13Å
195S98.4Very high98.5Very high72 Ų72110.6 Ų110.650%0.50351%0.511SS..Hα-helixtrans-68.5-44176.1-175.80000111.9D191 I192 M193 K198 K199D191-S195 WeakPolarHBondContact O-CB 3.49Å; D191-S195 PolarHBondContact O-N 3.11Å; D191-S195 VanDerWaalsContact O-N 3.11Å; I192-S195 PolarHBondContact O-N 3.01Å; M193-S195 VanDerWaalsContact C-N 3.26Å; M193-S195 PolarHBondContact O-N 2.94Å; S195-K198 PolarHBondContact O-N 3.22Å; S195-K199 WeakPolarHBondContact O-CB 3.36Å; S195-K199 PolarHBondContact O-N 3.46Å; S195-K199 VanDerWaalsContact O-N 3.08Å
196E98.4Very high98.4Very high81 Ų81110.3 Ų110.338%0.37951%0.51SS..Hα-helixtrans-69.5-39.8179.9-160.763.9-158.400110.8I192 M193 K198 K199 E200I192-E196 PolarHBondContact O-N 2.94Å; M193-E196 PolarHBondContact O-N 3.08Å; E196-K198 PolarHBondContact O-N 3.49Å; E196-K199 WeakPolarHBondContact O-CB 3.46Å; E196-K199 PolarHBondContact O-N 2.89Å; E196-K199 IonicContact OE1-NZ 2.75Å; E196-K199 PolarHBondContact OE1-NZ 3.02Å; E196-K199 IonicContact OE2-NZ 3.89Å; E196-K199 PolarHBondContact OE2-NZ 3.36Å; E196-E200 WeakPolarHBondContact O-CG 3.38Å; E196-E200 PolarHBondContact O-N 3.24Å
197E98.3Very high98.4Very high120 Ų120109.6 Ų109.656%0.56151%0.508SS*.Hα-helixtrans-57.7-49173.5-177.2-179.7-163.700111.5M193 K199 E200 L201M193-E197 WeakPolarHBondContact O-CB 3.37Å; M193-E197 PolarHBondContact O-N 3.13Å; E197-K199 VanDerWaalsContact C-N 3.29Å; E197-K199 PolarHBondContact O-N 2.87Å; E197-E200 PolarHBondContact O-N 3.35Å; E197-L201 HydrophobicContact CG-CD1 4.06Å; E197-L201 WeakPolarHBondContact O-CB 3.46Å; E197-L201 VanDerWaalsContact O-CG 3.32Å; E197-L201 WeakPolarHBondContact O-CG 3.42Å; E197-L201 PolarHBondContact O-N 3.46Å
198K98.5Very high98.4Very high142 Ų142110 Ų11062%0.61751%0.51SS*.Hα-helixtrans-59.2-40.6177.3-76.7169.6-173168.30112.4D194 S195 E196 Q202D194-K198 WeakPolarHBondContact O-CB 3.46Å; D194-K198 WeakPolarHBondContact O-CD 3.22Å; D194-K198 VanDerWaalsContact O-CG 3.22Å; D194-K198 WeakPolarHBondContact O-CG 3.44Å; D194-K198 PolarHBondContact O-N 3.35Å; D194-K198 VanDerWaalsContact O-N 3.13Å; S195-K198 PolarHBondContact O-N 3.22Å; E196-K198 PolarHBondContact O-N 3.49Å; K198-Q202 WeakPolarHBondContact O-CB 3.34Å; K198-Q202 PolarHBondContact O-N 2.7Å
199K98.5Very high98.4Very high95 Ų95107 Ų10741%0.41350%0.502SS..Hα-helixtrans-66-45.4179.8179.8-172.1167.5-153.20111.5S195 E196 E197 Q202 K203S195-K199 WeakPolarHBondContact O-CB 3.36Å; S195-K199 PolarHBondContact O-N 3.46Å; S195-K199 VanDerWaalsContact O-N 3.08Å; E196-K199 WeakPolarHBondContact O-CB 3.46Å; E196-K199 PolarHBondContact O-N 2.89Å; E196-K199 IonicContact OE1-NZ 2.75Å; E196-K199 PolarHBondContact OE1-NZ 3.02Å; E196-K199 IonicContact OE2-NZ 3.89Å; E196-K199 PolarHBondContact OE2-NZ 3.36Å; E197-K199 VanDerWaalsContact C-N 3.29Å; E197-K199 PolarHBondContact O-N 2.87Å; K199-Q202 PolarHBondContact O-N 3.34Å; K199-K203 WeakPolarHBondContact O-CG 3.32Å; K199-K203 PolarHBondContact O-N 3.28Å
200E98.5Very high98.4Very high78 Ų78105.1 Ų105.136%0.36450%0.495SS..Hα-helixtrans-66-41176.3-66.3-51.5130.700111.7E196 E197 Q202 K203 L204E196-E200 WeakPolarHBondContact O-CG 3.38Å; E196-E200 PolarHBondContact O-N 3.24Å; E197-E200 PolarHBondContact O-N 3.35Å; E200-Q202 VanDerWaalsContact C-N 3.3Å; E200-Q202 PolarHBondContact O-N 3.1Å; E200-K203 PolarHBondContact O-N 3.09Å; E200-K203 IonicContact OE1-NZ 3.49Å; E200-K203 PolarHBondContact OE1-NZ 3.28Å; E200-K203 IonicContact OE2-NZ 3.22Å; E200-K203 PolarHBondContact OE2-NZ 3.24Å; E200-L204 WeakPolarHBondContact O-CG 3.44Å; E200-L204 PolarHBondContact O-N 2.91Å; E200-L204 VanDerWaalsContact O-N 3.1Å
201L98.5Very high98.4Very high76 Ų76103 Ų10340%0.39849%0.493SS..Hα-helixtrans-61.9-37.2173.2-72.6174.1000112.6E197 R205E197-L201 HydrophobicContact CG-CD1 4.06Å; E197-L201 WeakPolarHBondContact O-CB 3.46Å; E197-L201 VanDerWaalsContact O-CG 3.32Å; E197-L201 WeakPolarHBondContact O-CG 3.42Å; E197-L201 PolarHBondContact O-N 3.46Å; L201-R205 WeakPolarHBondContact O-CG 3.5Å; L201-R205 PolarHBondContact O-N 2.93Å; L201-R205 VanDerWaalsContact O-N 3.1Å
202Q98.5Very high98.4Very high133 Ų133102.7 Ų102.762%0.62149%0.491SS*.Hα-helixtrans-67.4-41.8176.8-177.5177.7-9.500111.8K198 K199 E200 R205 Q206K198-Q202 WeakPolarHBondContact O-CB 3.34Å; K198-Q202 PolarHBondContact O-N 2.7Å; K199-Q202 PolarHBondContact O-N 3.34Å; E200-Q202 VanDerWaalsContact C-N 3.3Å; E200-Q202 PolarHBondContact O-N 3.1Å; Q202-R205 PolarHBondContact O-N 2.98Å; Q202-Q206 PolarHBondContact O-N 3.3Å
203K98.4Very high98.4Very high90 Ų90101.9 Ų101.939%0.39149%0.488SS..Hα-helixtrans-57.6-49.2174.6-72174.3-178.7171.20111.4K199 E200 R205 Q206 E207K199-K203 WeakPolarHBondContact O-CG 3.32Å; K199-K203 PolarHBondContact O-N 3.28Å; E200-K203 PolarHBondContact O-N 3.09Å; E200-K203 IonicContact OE1-NZ 3.49Å; E200-K203 PolarHBondContact OE1-NZ 3.28Å; E200-K203 IonicContact OE2-NZ 3.22Å; E200-K203 PolarHBondContact OE2-NZ 3.24Å; K203-R205 VanDerWaalsContact C-N 3.27Å; K203-R205 PolarHBondContact O-N 3.39Å; K203-Q206 PolarHBondContact O-N 2.82Å; K203-Q206 VanDerWaalsContact O-N 3.09Å; K203-E207 WeakPolarHBondContact O-CG 3.23Å; K203-E207 PolarHBondContact O-N 3.43Å
204L98.6Very high98.3Very high105 Ų105101.3 Ų101.355%0.5549%0.487SS..Hα-helixtrans-60.7-35.7178.3-70.2173.1000112.8E200 K208E200-L204 WeakPolarHBondContact O-CG 3.44Å; E200-L204 PolarHBondContact O-N 2.91Å; E200-L204 VanDerWaalsContact O-N 3.1Å; L204-K208 WeakPolarHBondContact O-CB 3.46Å; L204-K208 PolarHBondContact O-N 3.4Å
205R98.5Very high98.3Very high171 Ų171102.1 Ų102.165%0.64549%0.491SS*.Hα-helixtrans-66.8-42174.3-74175.8-168.2148.94.9112L201 Q202 K203 K208 E209L201-R205 WeakPolarHBondContact O-CG 3.5Å; L201-R205 PolarHBondContact O-N 2.93Å; L201-R205 VanDerWaalsContact O-N 3.1Å; Q202-R205 PolarHBondContact O-N 2.98Å; K203-R205 VanDerWaalsContact C-N 3.27Å; K203-R205 PolarHBondContact O-N 3.39Å; R205-K208 PolarHBondContact O-N 3.1Å; R205-E209 PolarHBondContact O-N 2.85Å
206Q98.3Very high98.2Very high106 Ų106101 Ų10150%0.49549%0.486SS..Hα-helixtrans-65.4-46.8177.4-172.261.949.100110.9Q202 K203 K208 E209 D210Q202-Q206 PolarHBondContact O-N 3.3Å; K203-Q206 PolarHBondContact O-N 2.82Å; K203-Q206 VanDerWaalsContact O-N 3.09Å; Q206-K208 VanDerWaalsContact C-N 3.28Å; Q206-K208 PolarHBondContact O-N 3.02Å; Q206-E209 WeakPolarHBondContact O-CB 3.36Å; Q206-E209 PolarHBondContact O-N 3.44Å; Q206-E209 VanDerWaalsContact O-N 3.07Å; Q206-D210 PolarHBondContact NE2-OD1 3Å; Q206-D210 PolarHBondContact O-N 3.46Å
207E98.4Very high98.2Very high108 Ų108103 Ų10351%0.50550%0.495SS..Hα-helixtrans-57.4-42.7176-73.2173.3-168.100111.6K203 D210 I211K203-E207 WeakPolarHBondContact O-CG 3.23Å; K203-E207 PolarHBondContact O-N 3.43Å; E207-D210 PolarHBondContact O-N 2.87Å; E207-I211 WeakPolarHBondContact O-CB 3.41Å; E207-I211 WeakPolarHBondContact O-CD1 3.49Å; E207-I211 VanDerWaalsContact O-CG1 3.23Å; E207-I211 WeakPolarHBondContact O-CG1 3.44Å; E207-I211 PolarHBondContact O-N 3.33Å
208K98.4Very high98Very high136 Ų13699.4 Ų99.459%0.59148%0.484SS*.Hα-helixtrans-59.8-46.8174.3178.4-174.9172.3-175.50111.7L204 R205 Q206 I211 L212L204-K208 WeakPolarHBondContact O-CB 3.46Å; L204-K208 PolarHBondContact O-N 3.4Å; R205-K208 PolarHBondContact O-N 3.1Å; Q206-K208 VanDerWaalsContact C-N 3.28Å; Q206-K208 PolarHBondContact O-N 3.02Å; K208-I211 PolarHBondContact O-N 3.01Å; K208-L212 HydrophobicContact CG-CD1 4.13Å; K208-L212 HydrophobicContact CG-CG 4.49Å; K208-L212 WeakPolarHBondContact O-CG 3.5Å; K208-L212 PolarHBondContact O-N 3.02Å
209E98.4Very high98Very high93 Ų9399.2 Ų99.244%0.43549%0.485SS..Hα-helixtrans-62.8-44.6-179.8-175.459.5-152.100111.4R205 Q206 I211 L212 N213R205-E209 PolarHBondContact O-N 2.85Å; Q206-E209 WeakPolarHBondContact O-CB 3.36Å; Q206-E209 PolarHBondContact O-N 3.44Å; Q206-E209 VanDerWaalsContact O-N 3.07Å; E209-I211 VanDerWaalsContact C-N 3.33Å; E209-I211 PolarHBondContact O-N 2.98Å; E209-L212 PolarHBondContact O-N 3.4Å; E209-N213 PolarHBondContact O-N 3.01Å; E209-N213 PolarHBondContact O-ND2 3.23Å; E209-N213 PolarHBondContact OE1-ND2 2.97Å
210D98.4Very high97.9Very high73 Ų7397.8 Ų97.839%0.3949%0.487SS..Hα-helixtrans-61-42.9177.3-62.9-17.6000111Q206 E207 N213 N214Q206-D210 PolarHBondContact NE2-OD1 3Å; Q206-D210 PolarHBondContact O-N 3.46Å; E207-D210 PolarHBondContact O-N 2.87Å; D210-N213 PolarHBondContact O-N 3.29Å; D210-N214 WeakPolarHBondContact O-CB 3.47Å; D210-N214 PolarHBondContact O-N 3.14Å; D210-N214 PolarHBondContact O-ND2 3.07Å; D210-N214 VanDerWaalsContact O-ND2 3.14Å
211I98.1Very high97.7Very high101 Ų10198.9 Ų98.952%0.51849%0.492SS..Hα-helixtrans-63-45175.4-69.6165.6000111.3E207 K208 E209 N214 L215E207-I211 WeakPolarHBondContact O-CB 3.41Å; E207-I211 WeakPolarHBondContact O-CD1 3.49Å; E207-I211 VanDerWaalsContact O-CG1 3.23Å; E207-I211 WeakPolarHBondContact O-CG1 3.44Å; E207-I211 PolarHBondContact O-N 3.33Å; K208-I211 PolarHBondContact O-N 3.01Å; E209-I211 VanDerWaalsContact C-N 3.33Å; E209-I211 PolarHBondContact O-N 2.98Å; I211-N214 PolarHBondContact O-N 2.96Å; I211-L215 HydrophobicContact CG2-CD1 3.95Å; I211-L215 HydrophobicContact CG2-CG 4.42Å; I211-L215 WeakPolarHBondContact O-CB 3.33Å; I211-L215 WeakPolarHBondContact O-CG 3.33Å; I211-L215 PolarHBondContact O-N 2.96Å
212L98.3Very high97.6Very high84 Ų84100.8 Ų100.844%0.4450%0.499SS..Hα-helixtrans-64.4-40.4179.9-73.5176000112K208 E209 L215 A216K208-L212 HydrophobicContact CG-CD1 4.13Å; K208-L212 HydrophobicContact CG-CG 4.49Å; K208-L212 WeakPolarHBondContact O-CG 3.5Å; K208-L212 PolarHBondContact O-N 3.02Å; E209-L212 PolarHBondContact O-N 3.4Å; L212-L215 PolarHBondContact O-N 3.03Å; L212-A216 WeakPolarHBondContact O-CB 3.45Å; L212-A216 PolarHBondContact O-N 3.41Å
213N97.7Very high97.4Very high83 Ų8397.3 Ų97.344%0.44449%0.493SS..Hα-helixtrans-64.9-44176.4-73.5-44.3000111.8E209 D210 L215 A216 E217E209-N213 PolarHBondContact O-N 3.01Å; E209-N213 PolarHBondContact O-ND2 3.23Å; E209-N213 PolarHBondContact OE1-ND2 2.97Å; D210-N213 PolarHBondContact O-N 3.29Å; N213-L215 VanDerWaalsContact C-N 3.33Å; N213-L215 PolarHBondContact O-N 3.43Å; N213-A216 PolarHBondContact O-N 3.47Å; N213-E217 PolarHBondContact O-N 2.93Å
214N97.5Very high97.3Very high104 Ų10498.9 Ų98.956%0.55650%0.502SS*.Hα-helixtrans-61.9-39.4175.4-68.5-24.7000112.3D210 I211 S218D210-N214 WeakPolarHBondContact O-CB 3.47Å; D210-N214 PolarHBondContact O-N 3.14Å; D210-N214 PolarHBondContact O-ND2 3.07Å; D210-N214 VanDerWaalsContact O-ND2 3.14Å; I211-N214 PolarHBondContact O-N 2.96Å; N214-S218 WeakPolarHBondContact O-CB 3.35Å; N214-S218 PolarHBondContact O-N 3.08Å; N214-S218 VanDerWaalsContact O-N 3.08Å
215L97.5Very high97.2Very high93 Ų9397.7 Ų97.749%0.48749%0.493SS..Hα-helixtrans-66.6-43.2176-74.3172.3000111.7I211 L212 N213 E217 S218 E219I211-L215 HydrophobicContact CG2-CD1 3.95Å; I211-L215 HydrophobicContact CG2-CG 4.42Å; I211-L215 WeakPolarHBondContact O-CB 3.33Å; I211-L215 WeakPolarHBondContact O-CG 3.33Å; I211-L215 PolarHBondContact O-N 2.96Å; L212-L215 PolarHBondContact O-N 3.03Å; N213-L215 VanDerWaalsContact C-N 3.33Å; N213-L215 PolarHBondContact O-N 3.43Å; L215-E217 VanDerWaalsContact C-N 3.33Å; L215-E217 PolarHBondContact O-N 3.02Å; L215-S218 PolarHBondContact O-N 2.82Å; L215-E219 WeakPolarHBondContact O-CB 3.44Å; L215-E219 WeakPolarHBondContact O-CG 3.48Å; L215-E219 PolarHBondContact O-N 3.14Å
216A97.3Very high97Very high50 Ų5092.3 Ų92.341%0.41348%0.482SS..Hα-helixtrans-63.1-38.2177.900000112.4L212 N213 S220L212-A216 WeakPolarHBondContact O-CB 3.45Å; L212-A216 PolarHBondContact O-N 3.41Å; N213-A216 PolarHBondContact O-N 3.47Å; A216-S220 PolarHBondContact O-N 3.45Å
217E96.8Very high96.9Very high121 Ų12192.3 Ų92.357%0.56548%0.48SS*.Hα-helixtrans-62.3-49.4172.9-174171.5-156.700110.9N213 L215 E219 S220 E221N213-E217 PolarHBondContact O-N 2.93Å; L215-E217 VanDerWaalsContact C-N 3.33Å; L215-E217 PolarHBondContact O-N 3.02Å; E217-E219 PolarHBondContact O-N 2.94Å; E217-S220 WeakPolarHBondContact O-CB 3.5Å; E217-S220 PolarHBondContact O-N 3.37Å; E217-S220 VanDerWaalsContact O-N 3.14Å; E217-E221 WeakPolarHBondContact O-CG 3.46Å; E217-E221 PolarHBondContact O-N 3.26Å
218S95.9Very high96.8Very high46 Ų4692.8 Ų92.832%0.32249%0.486SS..Hα-helixtrans-61.6-38.8176.9-1780000113.1N214 L215 E221 H222N214-S218 WeakPolarHBondContact O-CB 3.35Å; N214-S218 PolarHBondContact O-N 3.08Å; N214-S218 VanDerWaalsContact O-N 3.08Å; L215-S218 PolarHBondContact O-N 2.82Å; S218-E221 PolarHBondContact O-N 2.94Å; S218-H222 WeakPolarHBondContact O-CB 3.36Å; S218-H222 PolarHBondContact O-CD2 3.01Å; S218-H222 VanDerWaalsContact O-CD2 3.24Å; S218-H222 PolarHBondContact O-N 2.88Å
219E96.5Very high96.6Very high138 Ų13890.8 Ų90.865%0.64548%0.481SS*.Hα-helixtrans-62.6-41.5173.6-77.1178.617000111.7L215 E217 H222 A223L215-E219 WeakPolarHBondContact O-CB 3.44Å; L215-E219 WeakPolarHBondContact O-CG 3.48Å; L215-E219 PolarHBondContact O-N 3.14Å; E217-E219 PolarHBondContact O-N 2.94Å; E219-H222 PolarHBondContact O-N 3.24Å; E219-A223 WeakPolarHBondContact O-CB 3.31Å; E219-A223 PolarHBondContact O-N 3.4Å
220S96.5Very high96.5Very high64 Ų6491.2 Ų91.245%0.44848%0.483SS..Hα-helixtrans-64.9-42.1175.8-177.50000112.1A216 E217 A223 Q224A216-S220 PolarHBondContact O-N 3.45Å; E217-S220 WeakPolarHBondContact O-CB 3.5Å; E217-S220 PolarHBondContact O-N 3.37Å; E217-S220 VanDerWaalsContact O-N 3.14Å; S220-A223 PolarHBondContact O-N 3.44Å; S220-Q224 VanDerWaalsContact O-CG 3.31Å; S220-Q224 WeakPolarHBondContact O-CG 3.36Å; S220-Q224 PolarHBondContact O-N 2.94Å
221E95.9Very high96.3Very high101 Ų10191.4 Ų91.447%0.47248%0.484SS..Hα-helixtrans-62.5-45.8175.7-70.8-177.116500111.2E217 S218 A223 Q224 Q225E217-E221 WeakPolarHBondContact O-CG 3.46Å; E217-E221 PolarHBondContact O-N 3.26Å; S218-E221 PolarHBondContact O-N 2.94Å; E221-A223 PolarHBondContact O-N 3.29Å; E221-Q224 PolarHBondContact O-N 3.48Å; E221-Q225 WeakPolarHBondContact O-CG 3.44Å; E221-Q225 PolarHBondContact O-N 3.39Å
222H95Very high96Very high116 Ų11690.9 Ų90.954%0.53748%0.478SS..Hα-helixtrans-63.3-39.2176.3-80.7-49.6000112.5S218 E219 Q225 S226S218-H222 WeakPolarHBondContact O-CB 3.36Å; S218-H222 PolarHBondContact O-CD2 3.01Å; S218-H222 VanDerWaalsContact O-CD2 3.24Å; S218-H222 PolarHBondContact O-N 2.88Å; E219-H222 PolarHBondContact O-N 3.24Å; H222-Q225 PolarHBondContact ND1-OE1 3.33Å; H222-Q225 PolarHBondContact O-N 3.4Å; H222-S226 WeakPolarHBondContact O-CB 3.44Å; H222-S226 PolarHBondContact O-N 2.95Å
223A96.1Very high95.8Very high61 Ų6190.6 Ų90.650%0.50448%0.476SS..Hα-helixtrans-63.8-41.4175.300000112E219 S220 E221 S226 K227E219-A223 WeakPolarHBondContact O-CB 3.31Å; E219-A223 PolarHBondContact O-N 3.4Å; S220-A223 PolarHBondContact O-N 3.44Å; E221-A223 PolarHBondContact O-N 3.29Å; A223-S226 PolarHBondContact O-N 2.99Å; A223-K227 WeakPolarHBondContact O-CB 3.35Å; A223-K227 PolarHBondContact O-N 3.42Å
224Q96Very high95.6Very high123 Ų12389.7 Ų89.758%0.57548%0.476SS*.Hα-helixtrans-62.4-44.2174-72.1171.86.400111.6S220 E221 K227 L228S220-Q224 VanDerWaalsContact O-CG 3.31Å; S220-Q224 WeakPolarHBondContact O-CG 3.36Å; S220-Q224 PolarHBondContact O-N 2.94Å; E221-Q224 PolarHBondContact O-N 3.48Å; Q224-K227 PolarHBondContact O-N 2.98Å; Q224-L228 WeakPolarHBondContact O-CG 3.02Å; Q224-L228 PolarHBondContact O-N 3.35Å
225Q95Very high95.3Very high79 Ų7988.4 Ų88.437%0.36947%0.469SS..Hα-helixtrans-62.8-43.7175.9-72.9176-700112.1E221 H222 K227 L228 L229 F269E221-Q225 WeakPolarHBondContact O-CG 3.44Å; E221-Q225 PolarHBondContact O-N 3.39Å; H222-Q225 PolarHBondContact ND1-OE1 3.33Å; H222-Q225 PolarHBondContact O-N 3.4Å; Q225-K227 VanDerWaalsContact C-N 3.32Å; Q225-K227 PolarHBondContact O-N 2.9Å; Q225-L228 PolarHBondContact O-N 3.41Å; Q225-L229 WeakPolarHBondContact O-CB 3.41Å; Q225-L229 PolarHBondContact O-N 2.84Å; Q225-F269 HydrophobicContact CG-CE1 4.45Å
226S95.4Very high94.9Very high59 Ų5986.7 Ų86.741%0.41346%0.463SS..Hα-helixtrans-60-44.2176.3-166.20000111H222 A223 L229 E230H222-S226 WeakPolarHBondContact O-CB 3.44Å; H222-S226 PolarHBondContact O-N 2.95Å; A223-S226 PolarHBondContact O-N 2.99Å; S226-L229 PolarHBondContact O-N 2.82Å; S226-E230 WeakPolarHBondContact O-CG 3.3Å; S226-E230 PolarHBondContact O-N 3.24Å
227K96Very high94.6Very high106 Ų10690 Ų9046%0.46147%0.47SS..Hα-helixtrans-64.7-44.7179-176.754178.6153.40112.5A223 Q224 Q225 L229 E230 D231A223-K227 WeakPolarHBondContact O-CB 3.35Å; A223-K227 PolarHBondContact O-N 3.42Å; Q224-K227 PolarHBondContact O-N 2.98Å; Q225-K227 VanDerWaalsContact C-N 3.32Å; Q225-K227 PolarHBondContact O-N 2.9Å; K227-L229 VanDerWaalsContact C-N 3.26Å; K227-L229 PolarHBondContact O-N 3.33Å; K227-E230 PolarHBondContact O-N 2.77Å; K227-D231 VanDerWaalsContact CE-OD1 3.3Å; K227-D231 WeakPolarHBondContact CE-OD1 3.44Å; K227-D231 IonicContact NZ-OD1 3.65Å; K227-D231 PolarHBondContact NZ-OD1 2.83Å; K227-D231 IonicContact NZ-OD2 2.69Å; K227-D231 VanDerWaalsContact O-CG 3.27Å; K227-D231 PolarHBondContact O-N 2.82Å
228L95.8Very high94.2Very high117 Ų11790.1 Ų90.161%0.61347%0.47SS*.Hα-helixtrans-59.1-39.7174.5-74.3170.7000111.9Q224 Q225 F232Q224-L228 WeakPolarHBondContact O-CG 3.02Å; Q224-L228 PolarHBondContact O-N 3.35Å; Q225-L228 PolarHBondContact O-N 3.41Å; L228-F232 WeakPolarHBondContact O-CB 3.43Å; L228-F232 PolarHBondContact O-N 3Å
229L95Very high93.8Very high95 Ų9591.2 Ų91.250%0.49747%0.47SS..Hα-helixtrans-68-43.3177.6-174.365.4000111.7Q225 S226 K227 F232 I233Q225-L229 WeakPolarHBondContact O-CB 3.41Å; Q225-L229 PolarHBondContact O-N 2.84Å; S226-L229 PolarHBondContact O-N 2.82Å; K227-L229 VanDerWaalsContact C-N 3.26Å; K227-L229 PolarHBondContact O-N 3.33Å; L229-F232 PolarHBondContact O-N 3.41Å; L229-I233 HydrophobicContact CG-CD1 4.11Å; L229-I233 VanDerWaalsContact O-CG1 3.28Å; L229-I233 WeakPolarHBondContact O-CG1 3.43Å; L229-I233 PolarHBondContact O-N 2.92Å
230E95.4Very high93.3Very high101 Ų10191 Ų9147%0.47247%0.473SS..Hα-helixtrans-60.6-44.5174.6-76.3172.3-169.800112.3S226 K227 F232 I233 S234S226-E230 WeakPolarHBondContact O-CG 3.3Å; S226-E230 PolarHBondContact O-N 3.24Å; K227-E230 PolarHBondContact O-N 2.77Å; E230-F232 VanDerWaalsContact C-N 3.31Å; E230-F232 PolarHBondContact O-N 3.47Å; E230-I233 PolarHBondContact O-N 2.86Å; E230-S234 WeakPolarHBondContact O-CB 3.33Å; E230-S234 PolarHBondContact O-N 3.31Å; E230-S234 PolarHBondContact O-OG 2.99Å
231D94Very high92.9Very high78 Ų7896 Ų9642%0.41749%0.489SS..Hα-helixtrans-64.2-38.9177.5-67.6-19000110.5K227 S234 D235K227-D231 VanDerWaalsContact CE-OD1 3.3Å; K227-D231 WeakPolarHBondContact CE-OD1 3.44Å; K227-D231 IonicContact NZ-OD1 3.65Å; K227-D231 PolarHBondContact NZ-OD1 2.83Å; K227-D231 IonicContact NZ-OD2 2.69Å; K227-D231 VanDerWaalsContact O-CG 3.27Å; K227-D231 PolarHBondContact O-N 2.82Å; D231-S234 PolarHBondContact O-N 3.38Å; D231-D235 PolarHBondContact O-N 3.28Å
232F93.3Very high92.3Very high89 Ų8992.6 Ų92.639%0.3948%0.476SS..Hα-helixtrans-67.4-41.7175.5-170.3-102.2000112.8L228 L229 E230 S234 D235 V236 L267L228-F232 WeakPolarHBondContact O-CB 3.43Å; L228-F232 PolarHBondContact O-N 3Å; L229-F232 PolarHBondContact O-N 3.41Å; E230-F232 VanDerWaalsContact C-N 3.31Å; E230-F232 PolarHBondContact O-N 3.47Å; F232-S234 VanDerWaalsContact C-N 3.32Å; F232-D235 PolarHBondContact O-N 2.92Å; F232-V236 HydrophobicContact CD1-CG2 4.38Å; F232-V236 HydrophobicContact CE1-CG2 3.98Å; F232-V236 HydrophobicContact CZ-CG2 4.16Å; F232-V236 WeakPolarHBondContact O-CG2 3Å; F232-V236 PolarHBondContact O-N 3.26Å; F232-V236 VanDerWaalsContact O-N 3.09Å; F232-L267 HydrophobicContact CE1-CD1 3.81Å; F232-L267 HydrophobicContact CE2-CD1 3.9Å; F232-L267 HydrophobicContact CE2-CD2 4.39Å; F232-L267 HydrophobicContact CZ-CD1 3.26Å
233I93.3Very high91.6Very high79 Ų7990 Ų9041%0.40547%0.471SS..Hα-helixtrans-60.2-45.6173.4-71165.8000109.9L229 E230 D235 V236 E237L229-I233 HydrophobicContact CG-CD1 4.11Å; L229-I233 VanDerWaalsContact O-CG1 3.28Å; L229-I233 WeakPolarHBondContact O-CG1 3.43Å; L229-I233 PolarHBondContact O-N 2.92Å; E230-I233 PolarHBondContact O-N 2.86Å; I233-D235 VanDerWaalsContact C-N 3.34Å; I233-D235 PolarHBondContact O-N 3.17Å; I233-V236 PolarHBondContact O-N 3.07Å; I233-E237 HydrophobicContact CG2-CG 4.26Å; I233-E237 WeakPolarHBondContact O-CG 3.28Å; I233-E237 PolarHBondContact O-N 3.08Å
234S93Very high90.9Very high63 Ų6393.6 Ų93.644%0.44148%0.482SS..Hα-helixtrans-61-40.9179.3-55.50000112.3E230 D231 F232 E237 H238E230-S234 WeakPolarHBondContact O-CB 3.33Å; E230-S234 PolarHBondContact O-N 3.31Å; E230-S234 PolarHBondContact O-OG 2.99Å; D231-S234 PolarHBondContact O-N 3.38Å; F232-S234 VanDerWaalsContact C-N 3.32Å; S234-E237 PolarHBondContact O-N 3.38Å; S234-H238 WeakPolarHBondContact O-CB 3.11Å; S234-H238 PolarHBondContact O-N 3.05Å
235D90.9Very high90Very high77 Ų7793.4 Ų93.441%0.41248%0.483SS..Hα-helixtrans-62.5-44.7175.3-175.959000111.7D231 F232 I233 H238 Q239D231-D235 PolarHBondContact O-N 3.28Å; F232-D235 PolarHBondContact O-N 2.92Å; I233-D235 VanDerWaalsContact C-N 3.34Å; I233-D235 PolarHBondContact O-N 3.17Å; D235-H238 PolarHBondContact O-N 3.44Å; D235-Q239 WeakPolarHBondContact O-CG 3.46Å; D235-Q239 PolarHBondContact O-N 3Å; D235-Q239 PolarHBondContact OD2-NE2 3.35Å; D235-Q239 VanDerWaalsContact OD2-NE2 3.09Å
236V89.4Confident89.1Confident58 Ų5894.2 Ų94.235%0.35249%0.487SS..Hα-helixtrans-64.5-44.5176.3173.60000111.6F232 I233 H238 Q239 L240F232-V236 HydrophobicContact CD1-CG2 4.38Å; F232-V236 HydrophobicContact CE1-CG2 3.98Å; F232-V236 HydrophobicContact CZ-CG2 4.16Å; F232-V236 WeakPolarHBondContact O-CG2 3Å; F232-V236 PolarHBondContact O-N 3.26Å; F232-V236 VanDerWaalsContact O-N 3.09Å; I233-V236 PolarHBondContact O-N 3.07Å; V236-H238 VanDerWaalsContact C-N 3.34Å; V236-H238 PolarHBondContact O-N 2.71Å; V236-Q239 PolarHBondContact O-N 3.4Å; V236-L240 HydrophobicContact CG1-CD1 4.37Å; V236-L240 WeakPolarHBondContact O-CG 3.44Å; V236-L240 PolarHBondContact O-N 3.19Å
237E92.4Very high88.1Confident119 Ų11993.7 Ų93.756%0.55648%0.479SS*.Hα-helixtrans-61.5-41.5176.2-74.9-177.8157.900111.8I233 S234 L240 Q241I233-E237 HydrophobicContact CG2-CG 4.26Å; I233-E237 WeakPolarHBondContact O-CG 3.28Å; I233-E237 PolarHBondContact O-N 3.08Å; S234-E237 PolarHBondContact O-N 3.38Å; E237-L240 PolarHBondContact O-N 3.41Å; E237-Q241 WeakPolarHBondContact O-CG 3.38Å; E237-Q241 PolarHBondContact O-N 3.27Å
238H88.7Confident87.1Confident124 Ų12493.8 Ų93.857%0.57448%0.484SS*.Hα-helixtrans-63-46175.2-180-85.7000111.4S234 D235 V236 L240 Q241 C242S234-H238 WeakPolarHBondContact O-CB 3.11Å; S234-H238 PolarHBondContact O-N 3.05Å; D235-H238 PolarHBondContact O-N 3.44Å; V236-H238 VanDerWaalsContact C-N 3.34Å; V236-H238 PolarHBondContact O-N 2.71Å; H238-L240 PolarHBondContact O-N 3.13Å; H238-Q241 PolarHBondContact O-N 2.8Å; H238-C242 PolarHBondContact O-N 3.42Å; H238-C242 PolarHBondContact O-SG 3.09Å
239Q86.3Confident86Confident68 Ų6893.9 Ų93.932%0.31848%0.481SS..Hα-helixtrans-58.9-35.1175.7-74.6179.118.800112.5D235 V236 Q241 C242 I247D235-Q239 WeakPolarHBondContact O-CG 3.46Å; D235-Q239 PolarHBondContact O-N 3Å; D235-Q239 PolarHBondContact OD2-NE2 3.35Å; D235-Q239 VanDerWaalsContact OD2-NE2 3.09Å; V236-Q239 PolarHBondContact O-N 3.4Å; Q239-Q241 VanDerWaalsContact C-N 3.27Å; Q239-Q241 PolarHBondContact O-N 3.02Å; Q239-C242 PolarHBondContact O-N 3.24Å; Q239-I247 VanDerWaalsContact O-CD1 3.25Å; Q239-I247 WeakPolarHBondContact O-CD1 3.44Å; Q239-I247 WeakPolarHBondContact O-CG1 3.45Å
240L85.5Confident84.4Confident134 Ų13492.7 Ų92.770%0.70248%0.478SS*.Hα-helixtrans-69.6-19.9175.3-71.2171.3000113.8V236 E237 H238V236-L240 HydrophobicContact CG1-CD1 4.37Å; V236-L240 WeakPolarHBondContact O-CG 3.44Å; V236-L240 PolarHBondContact O-N 3.19Å; E237-L240 PolarHBondContact O-N 3.41Å; H238-L240 PolarHBondContact O-N 3.13Å
241Q88.2Confident82.3Confident169 Ų16996.5 Ų96.579%0.7949%0.488SS*.Hα-helixtrans-91.7-15.5176-64.1-65.4-31.500113.3E237 H238 Q239E237-Q241 WeakPolarHBondContact O-CG 3.38Å; E237-Q241 PolarHBondContact O-N 3.27Å; H238-Q241 PolarHBondContact O-N 2.8Å; Q239-Q241 VanDerWaalsContact C-N 3.27Å; Q239-Q241 PolarHBondContact O-N 3.02Å
242C83.6Confident80.2Confident30 Ų3099 Ų9920%0.20350%0.501CS..SBendtrans-68.3154.4176.2-69.70000111.8H238 Q239 E246 I247H238-C242 PolarHBondContact O-N 3.42Å; H238-C242 PolarHBondContact O-SG 3.09Å; Q239-C242 PolarHBondContact O-N 3.24Å; C242-E246 HydrophobicContact CB-CB 3.98Å; C242-I247 HydrophobicContact CB-CG1 3.81Å
243S80.5Confident78Confident61 Ų61102.7 Ų102.743%0.42752%0.519SS..  trans-70.3156.3172.963.90000112.1I245 E246 I247S243-I245 PolarHBondContact O-N 2.92Å; S243-E246 WeakPolarHBondContact CB-OE2 3.4Å; S243-E246 PolarHBondContact N-OE2 3.48Å; S243-E246 PolarHBondContact O-N 3.39Å; S243-E246 VanDerWaalsContact OG-CG 3.31Å; S243-E246 WeakPolarHBondContact OG-CG 3.38Å; S243-E246 PolarHBondContact OG-OE2 3.26Å; S243-I247 PolarHBondContact O-N 3.46Å; S243-I247 VanDerWaalsContact O-N 3.13Å
244D80.9Confident75.9Confident137 Ų137105 Ų10573%0.73353%0.533SS*.Hα-helixtrans-51.7-34.3-177.6-66.2-25.9000113.5L248D244-L248 WeakPolarHBondContact O-CG 3.34Å; D244-L248 PolarHBondContact O-N 3.28Å
245I78.2Confident73.1Confident118 Ų118106.8 Ų106.861%0.60554%0.54SS*.Hα-helixtrans-73.6-40.8178.3-65.1173.8000111.5S243 L248 Q249S243-I245 PolarHBondContact O-N 2.92Å; I245-L248 PolarHBondContact O-N 3.36Å; I245-Q249 PolarHBondContact O-N 2.84Å
246E76.4Confident70.5Confident96 Ų96108.8 Ų108.845%0.44956%0.558SS.*Hα-helixtrans-65.5-42.5-179.7-72.6164.8153.100111.4C242 S243 L248 Q249 V250C242-E246 HydrophobicContact CB-CB 3.98Å; S243-E246 WeakPolarHBondContact CB-OE2 3.4Å; S243-E246 PolarHBondContact N-OE2 3.48Å; S243-E246 PolarHBondContact O-N 3.39Å; S243-E246 VanDerWaalsContact OG-CG 3.31Å; S243-E246 WeakPolarHBondContact OG-CG 3.38Å; S243-E246 PolarHBondContact OG-OE2 3.26Å; E246-L248 VanDerWaalsContact C-N 3.31Å; E246-L248 PolarHBondContact O-N 3.09Å; E246-Q249 PolarHBondContact O-N 3.28Å; E246-V250 WeakPolarHBondContact O-CG2 3.32Å; E246-V250 PolarHBondContact O-N 2.96Å
247I73.2Confident68.1Low49 Ų49108.7 Ų108.725%0.25157%0.568SS.*Hα-helixtrans-58.6-43.7176-62.6172.5000111Q239 C242 S243 R251Q239-I247 VanDerWaalsContact O-CD1 3.25Å; Q239-I247 WeakPolarHBondContact O-CD1 3.44Å; Q239-I247 WeakPolarHBondContact O-CG1 3.45Å; C242-I247 HydrophobicContact CB-CG1 3.81Å; S243-I247 PolarHBondContact O-N 3.46Å; S243-I247 VanDerWaalsContact O-N 3.13Å; I247-R251 PolarHBondContact O-N 3.34Å
248L74.6Confident65.2Low108 Ų108108.5 Ų108.557%0.56558%0.58SS**Hα-helixtrans-70.7-33.3179.6-69.2173.5000112.5D244 I245 E246 L252D244-L248 WeakPolarHBondContact O-CG 3.34Å; D244-L248 PolarHBondContact O-N 3.28Å; I245-L248 PolarHBondContact O-N 3.36Å; E246-L248 VanDerWaalsContact C-N 3.31Å; E246-L248 PolarHBondContact O-N 3.09Å; L248-L252 WeakPolarHBondContact O-CG 3.41Å; L248-L252 PolarHBondContact O-N 3.22Å
249Q72.3Confident62.4Low118 Ų118111.5 Ų111.555%0.55159%0.594SS**Hα-helixtrans-70.9-42.1177.2-79.9-174.4-800113I245 E246 R251 L252 Q253I245-Q249 PolarHBondContact O-N 2.84Å; E246-Q249 PolarHBondContact O-N 3.28Å; Q249-R251 VanDerWaalsContact C-N 3.31Å; Q249-R251 PolarHBondContact O-N 3.4Å; Q249-L252 PolarHBondContact O-N 3.09Å; Q249-L252 VanDerWaalsContact O-N 3.09Å; Q249-Q253 PolarHBondContact O-N 3.21Å; Q249-Q253 VanDerWaalsContact O-N 3.09Å
250V61.9Low59.9Low71 Ų71112.8 Ų112.843%0.4361%0.61SS.*Hα-helixtrans-60.2-44.8175.8174.50000110.1E246 L252 Q253 D254E246-V250 WeakPolarHBondContact O-CG2 3.32Å; E246-V250 PolarHBondContact O-N 2.96Å; V250-L252 PolarHBondContact O-N 3.23Å; V250-Q253 PolarHBondContact O-N 3.09Å; V250-D254 PolarHBondContact O-N 3.29Å
251R52.1Low57.5Low181 Ų181116.4 Ų116.468%0.68362%0.624SS**Hα-helixtrans-61.1-26.5174.7-90.3-175.6170.7-179.1-0.5114.6I247 Q249 V255I247-R251 PolarHBondContact O-N 3.34Å; Q249-R251 VanDerWaalsContact C-N 3.31Å; Q249-R251 PolarHBondContact O-N 3.4Å; R251-V255 WeakPolarHBondContact O-CG2 3.34Å
252L49.8Very low55.1Low129 Ų129116.5 Ų116.568%0.67562%0.622SS**Hα-helixtrans-85-28.5178.4-75166000112.6L248 Q249 V250 V255L248-L252 WeakPolarHBondContact O-CG 3.41Å; L248-L252 PolarHBondContact O-N 3.22Å; Q249-L252 PolarHBondContact O-N 3.09Å; Q249-L252 VanDerWaalsContact O-N 3.09Å; V250-L252 PolarHBondContact O-N 3.23Å; L252-V255 PolarHBondContact O-N 3.05Å
253Q46.8Very low52.8Low167 Ų167119 Ų11978%0.7865%0.645SS**Hα-helixtrans-74.7-30.8175.6-77.6-174.5-4.300112.9Q249 V250 V255Q249-Q253 PolarHBondContact O-N 3.21Å; Q249-Q253 VanDerWaalsContact O-N 3.09Å; V250-Q253 PolarHBondContact O-N 3.09Å; Q253-V255 PolarHBondContact O-N 3.46Å; Q253-V255 VanDerWaalsContact O-N 3.13Å
254D48.8Very low50.7Low129 Ų129125.3 Ų125.369%0.6966%0.659SS**THydrogen-bonded Turntrans-73.76.9172.8-75.5-25.4000113.8V250 P256V250-D254 PolarHBondContact O-N 3.29Å; D254-P256 WeakPolarHBondContact O-CD 3.37Å
255V34.9Very low48.6Very low99 Ų99128 Ų12860%0.666%0.664SS**  trans-104.582.2172.4-170.80000110.5R251 L252 Q253 G257R251-V255 WeakPolarHBondContact O-CG2 3.34Å; L252-V255 PolarHBondContact O-N 3.05Å; Q253-V255 PolarHBondContact O-N 3.46Å; Q253-V255 VanDerWaalsContact O-N 3.13Å; V255-G257 PolarHBondContact O-N 2.92Å
256P35.4Very low46.5Very low120 Ų120126.2 Ų126.278%0.77966%0.661SS**  trans-68.2102.1158.727.6-27.5000108.7D254D254-P256 WeakPolarHBondContact O-CD 3.37Å
257G38.8Very low45Very low55 Ų55125.8 Ų125.857%0.56766%0.661SS**  trans17.5122.9160.200000121.1V255V255-G257 PolarHBondContact O-N 2.92Å
258S31.3Very low43.8Very low115 Ų115129.1 Ų129.180%0.80469%0.685SS**SBendtrans48.7129.9137.657.90000120.6
259E30.6Very low42.4Very low188 Ų188131.2 Ų131.288%0.87969%0.691SS**SBendtrans7958.4170.6-62.3-171.9166.800116.9
260S33.6Very low40.6Very low94 Ų94128.9 Ų128.966%0.65768%0.681SS**  trans-168.4103133-81.30000110K262S260-K262 PolarHBondContact O-N 3.32Å
261Q36.3Very low39.9Very low210 Ų210129.1 Ų129.198%0.98169%0.686SS**  trans-55.989.7152.4-78.2170.3-36.100108.4
262K36.5Very low39.7Very low171 Ų171124.4 Ų124.474%0.74369%0.686SS**  trans-134.499.5165.1-73.4-173.7-177.8172.20107.5S260S260-K262 PolarHBondContact O-N 3.32Å
263A35.4Very low39.7Very low83 Ų83121.6 Ų121.669%0.68668%0.681SS**  trans32.4117.3141.800000115.2K265A263-K265 VanDerWaalsContact C-N 3.34Å; A263-K265 PolarHBondContact O-N 3.22Å
264W37.9Very low39.6Very low193 Ų193116.7 Ų116.773%0.73166%0.663SS**  trans-21.398.5147.1-67.358.6000108.9P266 M279W264-P266 WeakPolarHBondContact O-CD 3.49Å; W264-M279 HydrophobicContact CD2-CE 4.43Å; W264-M279 HydrophobicContact CE3-CE 3.97Å
265K35.1Very low39.5Very low194 Ų194112.3 Ų112.384%0.84364%0.64SS**  trans-77.9105169.7-81.3-174.1178.1179.70103.4A263 L267A263-K265 VanDerWaalsContact C-N 3.34Å; A263-K265 PolarHBondContact O-N 3.22Å; K265-L267 PolarHBondContact O-N 3.37Å
266P35.7Very low39.9Very low81 Ų81115 Ų11553%0.52664%0.644SS.*  trans-58.1132.4174.526-32.1000107.2W264 V275W264-P266 WeakPolarHBondContact O-CD 3.49Å; P266-V275 HydrophobicContact CB-CG1 4.15Å; P266-V275 HydrophobicContact CB-CG2 4.13Å
267L44Very low40.2Very low87 Ų87114.9 Ų114.946%0.45564%0.636SS.*  trans-50.1128175.5-72.7156.6000108.3F232 K265 F269 L270F232-L267 HydrophobicContact CE1-CD1 3.81Å; F232-L267 HydrophobicContact CE2-CD1 3.9Å; F232-L267 HydrophobicContact CE2-CD2 4.39Å; F232-L267 HydrophobicContact CZ-CD1 3.26Å; K265-L267 PolarHBondContact O-N 3.37Å; L267-F269 PolarHBondContact O-N 3.48Å; L267-L270 PolarHBondContact O-N 2.9Å
268P47.7Very low40.5Very low118 Ų118116 Ų11677%0.76663%0.632SS**THydrogen-bonded Turntrans-65.6-5.9-164.520.8-30.8000115.1
269F45.8Very low41.2Very low153 Ų153114.6 Ų114.667%0.67161%0.614SS**THydrogen-bonded Turntrans-108.80.8-174.7-76.7-81.3000115.4Q225 L267Q225-F269 HydrophobicContact CG-CE1 4.45Å; L267-F269 PolarHBondContact O-N 3.48Å
270L35.3Very low41.8Very low68 Ų68109 Ų10936%0.35659%0.593SS.*SBendtrans-87.1115.8173.3-68.3-178.3000109.2L267 V274 V275L267-L270 PolarHBondContact O-N 2.9Å; L270-V274 HydrophobicContact CB-CB 4.12Å; L270-V274 HydrophobicContact CD1-CB 4.49Å; L270-V274 HydrophobicContact CD1-CG1 4.02Å; L270-V274 HydrophobicContact CD2-CB 3.96Å; L270-V274 HydrophobicContact CD2-CG1 3.69Å; L270-V274 HydrophobicContact CD2-CG2 4.41Å; L270-V274 HydrophobicContact CG-CB 4.4Å; L270-V274 HydrophobicContact CG-CG1 4.28Å; L270-V275 HydrophobicContact CB-CG2 3.71Å
271S45.8Very low42.3Very low77 Ų77109.3 Ų109.354%0.53859%0.59SS.*  trans-51.4146.3167.871.90000108.8A273 V274 V275S271-A273 PolarHBondContact O-N 3.46Å; S271-V274 PolarHBondContact O-N 2.85Å; S271-V275 PolarHBondContact O-N 3.43Å
272A49.2Very low42.6Very low82 Ų82103.3 Ų103.368%0.67857%0.572SS**Hα-helixtrans-49.8-26.6-173.700000113.4F276A272-F276 WeakPolarHBondContact O-CB 3.33Å; A272-F276 PolarHBondContact O-N 3.02Å
273A48Very low43Very low70 Ų70100.1 Ų100.158%0.57957%0.571SS**Hα-helixtrans-62.9-42.1174.200000114S271 F276 L277S271-A273 PolarHBondContact O-N 3.46Å; A273-F276 PolarHBondContact O-N 3.22Å; A273-L277 PolarHBondContact O-N 3.13Å; A273-L277 VanDerWaalsContact O-N 3.08Å
274V46.4Very low43.1Very low64 Ų64104 Ų10439%0.38859%0.593SS.*Hα-helixtrans-74.9-37.6179.5-172.50000110.8L270 S271 F276 L277 V278L270-V274 HydrophobicContact CB-CB 4.12Å; L270-V274 HydrophobicContact CD1-CB 4.49Å; L270-V274 HydrophobicContact CD1-CG1 4.02Å; L270-V274 HydrophobicContact CD2-CB 3.96Å; L270-V274 HydrophobicContact CD2-CG1 3.69Å; L270-V274 HydrophobicContact CD2-CG2 4.41Å; L270-V274 HydrophobicContact CG-CB 4.4Å; L270-V274 HydrophobicContact CG-CG1 4.28Å; S271-V274 PolarHBondContact O-N 2.85Å; V274-F276 VanDerWaalsContact C-N 3.25Å; V274-F276 PolarHBondContact O-N 3.02Å; V274-L277 PolarHBondContact O-N 3.42Å; V274-V278 HydrophobicContact CG1-CG2 4.45Å; V274-V278 WeakPolarHBondContact O-CG2 3.25Å; V274-V278 PolarHBondContact O-N 3.3Å
275V45.4Very low43.3Very low36 Ų3699.6 Ų99.622%0.21859%0.586CS.*Hα-helixtrans-58.4-41.9171.9-178.10000110.4P266 L270 S271 M279P266-V275 HydrophobicContact CB-CG1 4.15Å; P266-V275 HydrophobicContact CB-CG2 4.13Å; L270-V275 HydrophobicContact CB-CG2 3.71Å; S271-V275 PolarHBondContact O-N 3.43Å; V275-M279 HydrophobicContact CG1-CE 4.44Å; V275-M279 HydrophobicContact CG1-CG 4.5Å; V275-M279 WeakPolarHBondContact O-CB 3.37Å; V275-M279 WeakPolarHBondContact O-CG 3.46Å; V275-M279 PolarHBondContact O-N 3.32Å; V275-M279 VanDerWaalsContact O-N 3.17Å
276F44.7Very low43.8Very low156 Ų15694.6 Ų94.668%0.68457%0.573SS**Hα-helixtrans-63.8-42.2176.9-132.9-90.5000112.2A272 A273 V274 M279 T280A272-F276 WeakPolarHBondContact O-CB 3.33Å; A272-F276 PolarHBondContact O-N 3.02Å; A273-F276 PolarHBondContact O-N 3.22Å; V274-F276 VanDerWaalsContact C-N 3.25Å; V274-F276 PolarHBondContact O-N 3.02Å; F276-M279 PolarHBondContact O-N 3.29Å; F276-T280 HydrophobicContact CD1-CG2 4.25Å; F276-T280 WeakPolarHBondContact O-CG2 3.31Å; F276-T280 PolarHBondContact O-N 3.39Å; F276-T280 PolarHBondContact O-OG1 3.37Å
277L41.1Very low44.2Very low117 Ų11795.3 Ų95.361%0.61358%0.575SS**Hα-helixtrans-67-43.5-177-145.1127.3000111.9A273 V274 M279 T280 V281A273-L277 PolarHBondContact O-N 3.13Å; A273-L277 VanDerWaalsContact O-N 3.08Å; V274-L277 PolarHBondContact O-N 3.42Å; L277-M279 VanDerWaalsContact C-N 3.33Å; L277-M279 PolarHBondContact O-N 3.45Å; L277-T280 PolarHBondContact O-N 3.23Å; L277-T280 PolarHBondContact O-OG1 3.39Å; L277-V281 PolarHBondContact O-N 2.99Å
278V45.8Very low44.2Very low78 Ų7895.8 Ų95.847%0.47358%0.582SS.*Hα-helixtrans-63.6-38.4176.2177.40000111.7V274 S282V274-V278 HydrophobicContact CG1-CG2 4.45Å; V274-V278 WeakPolarHBondContact O-CG2 3.25Å; V274-V278 PolarHBondContact O-N 3.3Å; V278-S282 PolarHBondContact O-OG 2.93Å
279M44.8Very low44Very low87 Ų8794.4 Ų94.443%0.42957%0.571SS.*Hα-helixtrans-66.8-37.1177.1-70.2-100.1-179.800112.3W264 V275 F276 L277 S283W264-M279 HydrophobicContact CD2-CE 4.43Å; W264-M279 HydrophobicContact CE3-CE 3.97Å; V275-M279 HydrophobicContact CG1-CE 4.44Å; V275-M279 HydrophobicContact CG1-CG 4.5Å; V275-M279 WeakPolarHBondContact O-CB 3.37Å; V275-M279 WeakPolarHBondContact O-CG 3.46Å; V275-M279 PolarHBondContact O-N 3.32Å; V275-M279 VanDerWaalsContact O-N 3.17Å; F276-M279 PolarHBondContact O-N 3.29Å; L277-M279 VanDerWaalsContact C-N 3.33Å; L277-M279 PolarHBondContact O-N 3.45Å; M279-S283 PolarHBondContact O-OG 3.03Å
280T43.3Very low43.9Very low70 Ų7090.5 Ų90.543%0.42956%0.564SS.*Hα-helixtrans-71.5-34.9-179.550.70000113.9F276 L277 S282 S283F276-T280 HydrophobicContact CD1-CG2 4.25Å; F276-T280 WeakPolarHBondContact O-CG2 3.31Å; F276-T280 PolarHBondContact O-N 3.39Å; F276-T280 PolarHBondContact O-OG1 3.37Å; L277-T280 PolarHBondContact O-N 3.23Å; L277-T280 PolarHBondContact O-OG1 3.39Å; T280-S282 VanDerWaalsContact C-N 3.32Å; T280-S282 PolarHBondContact O-N 3.42Å; T280-S283 PolarHBondContact O-N 2.75Å
281V44.6Very low44.5Very low100 Ų10092.1 Ų92.161%0.60658%0.579SS**Hα-helixtrans-70-30.6179.3177.30000111.8L277 S283L277-V281 PolarHBondContact O-N 2.99Å; V281-S283 PolarHBondContact O-N 2.83Å
282S42.3Very low44.4Very low85 Ų8593.3 Ų93.359%0.59458%0.582SS**THydrogen-bonded Turntrans-79.8-4.1-179-550000114.2V278 T280V278-S282 PolarHBondContact O-OG 2.93Å; T280-S282 VanDerWaalsContact C-N 3.32Å; T280-S282 PolarHBondContact O-N 3.42Å
283S44.4Very low44Very low103 Ų10394.3 Ų94.372%0.7257%0.574SS**THydrogen-bonded Turntrans-104.60.9-176.6-49.50000113.6M279 T280 V281M279-S283 PolarHBondContact O-OG 3.03Å; T280-S283 PolarHBondContact O-N 2.75Å; V281-S283 PolarHBondContact O-N 2.83Å
284S37.2Very low43.6Very low165 Ų16596.5 Ų96.5100%1.15457%0.573SS**  trans-118.60-178.8-46.10000110.1

Retrieved 284 of 284 residues in 376.7 ms (Link to these results)

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