A0A096NFB8_PAPAN Loading...

Actin related protein 3

AlphaFold DB (Q5R8R1), UniProt , Accession A0A096NFB8, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 418 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.5Very low83.2Confident199 Ų19960.8 Ų60.898%0.9837%0.368SS*.  037.50-63.6173.9-159.300111.7G3 P388M1-G3 PolarHBondContact O-N 3.3Å; M1-P388 HydrophobicContact CE-CB 3.91Å; M1-P388 HydrophobicContact CE-CG 4.32Å
2A42.9Very low84.3Confident113 Ų11357.2 Ų57.293%0.93435%0.347SS*.THydrogen-bonded Turntrans-74115.8167.100000107.2
3G67.1Low85.1Confident79 Ų7954 Ų5481%0.81433%0.333SS*.THydrogen-bonded Turntrans115.36.6166.400000118.7M1M1-G3 PolarHBondContact O-N 3.3Å
4R80Confident85.8Confident142 Ų14251.3 Ų51.354%0.53632%0.316SS..PPolyproline II helixtrans-92.9126.9172.1-169.2173.3-73.7174.8-8.5110.3Y391R4-Y391 HydrophobicContact CG-CE1 4.24Å; R4-Y391 VanDerWaalsContact NH1-CD1 3.28Å
5L93.7Very high86.3Confident76 Ų7648.1 Ų48.140%0.39830%0.297SS..PPolyproline II helixtrans-69153.7176.7-64.9-175.9000111.3D107 H108L5-D107 HydrophobicContact CD1-CB 3.73Å; L5-H108 VanDerWaalsContact CD1-NE2 3.32Å; L5-H108 WeakPolarHBondContact CD1-NE2 3.35Å
6P95.9Very high87Confident58 Ų5848.9 Ų48.938%0.37729%0.294SS..PPolyproline II helixtrans-62.8142.9178.827.2-35.6000110.9Y21 H108P6-Y21 HydrophobicContact CB-CD1 4.44Å; P6-Y21 HydrophobicContact CG-CD1 3.95Å; P6-Y21 HydrophobicContact CG-CG 4.19Å; P6-H108 PolarHBondContact O-ND1 2.9Å
7A97.8Very high87.6Confident0 Ų046 Ų460%028%0.276CS..PPolyproline II helixtrans-65.8147.4177.400000111.8Y21 A22 Y109 A385 F390A7-Y21 WeakPolarHBondContact O-CA 3.43Å; A7-A22 HydrophobicContact CB-CB 4.2Å; A7-A22 WeakPolarHBondContact O-CB 3.19Å; A7-A22 PolarHBondContact O-N 3.04Å; A7-Y109 CarbonylContact C-O 3.38Å; A7-Y109 VanDerWaalsContact CA-O 3.22Å; A7-Y109 WeakPolarHBondContact CA-O 3.38Å; A7-Y109 WeakPolarHBondContact CB-O 3.4Å; A7-A385 HydrophobicContact CB-CB 3.9Å; A7-F390 HydrophobicContact CB-CD1 4.4Å; A7-F390 HydrophobicContact CB-CE1 3.58Å; A7-F390 HydrophobicContact CB-CZ 4.06Å
8C98.5Very high88.2Confident0 Ų044.9 Ų44.90%027%0.268CS..EExtended strand (participates in β ladder)trans-85.4130.9172.6-67.10000109.7Y21 L101 Y109 F110 L111C8-Y21 WeakPolarHBondContact SG-CE1 3.42Å; C8-L101 HydrophobicContact CB-CD1 4.04Å; C8-Y109 PolarHBondContact N-O 3.37Å; C8-F110 HydrophobicContact CB-CD1 3.48Å; C8-F110 VanDerWaalsContact CB-CD1 3.48Å; C8-F110 HydrophobicContact CB-CD2 4.36Å; C8-F110 HydrophobicContact CB-CE1 3.37Å; C8-F110 HydrophobicContact CB-CE2 4.27Å; C8-F110 HydrophobicContact CB-CG 3.99Å; C8-F110 HydrophobicContact CB-CZ 3.81Å; C8-F110 WeakPolarHBondContact O-CA 3.41Å; C8-L111 PolarHBondContact O-N 3.18Å
9V98.6Very high88.7Confident0 Ų042.6 Ų42.60%025%0.253CS..EExtended strand (participates in β ladder)trans-113120177.6-176.80000109.2G20 A22 L111 W378 A385V9-G20 PolarHBondContact N-O 3.3Å; V9-G20 PolarHBondContact O-N 3.43Å; V9-G20 VanDerWaalsContact O-N 3.16Å; V9-A22 HydrophobicContact CG2-CB 4.2Å; V9-L111 WeakPolarHBondContact CA-O 3.48Å; V9-L111 HydrophobicContact CG1-CD2 4.11Å; V9-L111 HydrophobicContact CG2-CB 4.4Å; V9-W378 HydrophobicContact CB-CZ2 4.35Å; V9-W378 HydrophobicContact CG1-CD2 4.47Å; V9-W378 HydrophobicContact CG1-CG 4.17Å; V9-W378 PolarHBondContact O-NE1 3.42Å; V9-A385 HydrophobicContact CG2-CB 4.11Å
10V98.5Very high89.2Confident0 Ų040.5 Ų40.50%024%0.241CC..EExtended strand (participates in β ladder)trans-126106-175.4179.40000109.3C12 T17 L19 M93 V96 L101 F110 L111 L112 T113V10-C12 VanDerWaalsContact CG1-SG 3.58Å; V10-T17 HydrophobicContact CG1-CG2 4.28Å; V10-L19 HydrophobicContact CB-CD2 4.2Å; V10-L19 HydrophobicContact CG1-CD2 3.69Å; V10-L19 HydrophobicContact CG2-CD2 3.99Å; V10-M93 HydrophobicContact CG1-CE 4.18Å; V10-M93 HydrophobicContact CG1-SD 4.15Å; V10-M93 HydrophobicContact CG2-CE 4.46Å; V10-V96 HydrophobicContact CG1-CG1 4.48Å; V10-V96 HydrophobicContact CG2-CG1 4.29Å; V10-L101 HydrophobicContact CG2-CD1 4.23Å; V10-F110 HydrophobicContact CG2-CD1 4.39Å; V10-L111 PolarHBondContact N-O 2.91Å; V10-L112 HydrophobicContact CB-CG 4.26Å; V10-L112 HydrophobicContact CG1-CD2 4.48Å; V10-L112 WeakPolarHBondContact O-CA 3.25Å; V10-T113 PolarHBondContact O-N 2.69Å
11D97.9Very high89.6Confident2 Ų240.2 Ų40.21%0.01124%0.236CC..EExtended strand (participates in β ladder)trans-103.198.5176.2168.828.3000109.8T17 K18 T113 Q144 V377 W378D11-T17 CarbonylContact O-C 3.56Å; D11-T17 VanDerWaalsContact O-CA 3.29Å; D11-T17 WeakPolarHBondContact O-CA 3.01Å; D11-K18 HydrophobicContact CB-CB 4.26Å; D11-K18 PolarHBondContact N-O 3.21Å; D11-K18 PolarHBondContact O-N 3.18Å; D11-K18 WeakPolarHBondContact OD2-CD 3.49Å; D11-K18 IonicContact OD2-NZ 2.65Å; D11-K18 PolarHBondContact OD2-NZ 3.38Å; D11-T113 WeakPolarHBondContact CA-OG1 3.36Å; D11-T113 HydrophobicContact CB-CG2 3.88Å; D11-T113 PolarHBondContact OD1-OG1 3.48Å; D11-T113 VanDerWaalsContact OD1-OG1 3.08Å; D11-Q144 PolarHBondContact OD1-NE2 2.9Å; D11-V377 HydrophobicContact CB-CG1 4.31Å; D11-W378 HydrophobicContact CB-CB 3.98Å; D11-W378 HydrophobicContact CB-CG 4.49Å
12C96.6Very high92.1Very high17 Ų1731.3 Ų31.312%0.11519%0.194CC..EExtended strand (participates in β ladder)trans-88.7105.8-179.2-710000110.9V10 I78 M89V10-C12 VanDerWaalsContact CG1-SG 3.58Å; C12-I78 HydrophobicContact CB-CD1 3.71Å; C12-M89 HydrophobicContact CB-CE 4.48Å
13G94.7Very high94.6Very high16 Ų1628.5 Ų28.517%0.16518%0.176CC..  trans-99173.1171.300000112.7Y16 S33G13-Y16 WeakPolarHBondContact CA-O 3.42Å; G13-Y16 PolarHBondContact N-O 3.03Å; G13-S33 VanDerWaalsContact O-CB 3.23Å; G13-S33 WeakPolarHBondContact O-CB 3.3Å; G13-S33 PolarHBondContact O-OG 3.35Å
14T94.6Very high95.9Very high16 Ų1628.1 Ų28.110%0.09816%0.155CC..SBendtrans-65.6-39.9175.3-63.90000113.6H80 G81T14-H80 PolarHBondContact OG1-N 3.31Å; T14-G81 PolarHBondContact OG1-N 3.44Å
15G93.9Very high96.5Very high3 Ų325.8 Ų25.83%0.03116%0.157CC..SBendtrans-96.5-33.5-178.600000113.4P32 S33G15-P32 WeakPolarHBondContact O-CA 3.36Å; G15-S33 PolarHBondContact O-N 3.02Å; G15-S33 VanDerWaalsContact O-N 3.08Å
16Y96.5Very high96.6Very high61 Ų6127.9 Ų27.924%0.23917%0.165CC..EExtended strand (participates in β ladder)trans-146.8137.8-170.9-67.9-85.1000112.1G13 I30 I31 P32 S33 K225G13-Y16 WeakPolarHBondContact CA-O 3.42Å; G13-Y16 PolarHBondContact N-O 3.03Å; Y16-I30 HydrophobicContact CD1-CG2 3.97Å; Y16-I30 HydrophobicContact CG-CG2 4.32Å; Y16-I31 CarbonylContact C-O 3.57Å; Y16-I31 VanDerWaalsContact CA-O 3.23Å; Y16-I31 WeakPolarHBondContact CA-O 3.47Å; Y16-P32 HydrophobicContact CE1-CG 4.38Å; Y16-S33 VanDerWaalsContact CA-OG 3.23Å; Y16-S33 WeakPolarHBondContact CA-OG 3.3Å; Y16-S33 PolarHBondContact N-OG 3.25Å; Y16-S33 PolarHBondContact O-OG 3.12Å; Y16-K225 WeakPolarHBondContact OH-CE 3.01Å; Y16-K225 PolarHBondContact OH-NZ 3.14Å
17T97.9Very high96.7Very high0 Ų025.8 Ų25.80%015%0.151CC..EExtended strand (participates in β ladder)trans-104.7133.1172.2-59.90000109V10 D11 L19 I30 I31 S33 F92V10-T17 HydrophobicContact CG1-CG2 4.28Å; D11-T17 CarbonylContact O-C 3.56Å; D11-T17 VanDerWaalsContact O-CA 3.29Å; D11-T17 WeakPolarHBondContact O-CA 3.01Å; T17-L19 HydrophobicContact CG2-CD2 3.47Å; T17-L19 VanDerWaalsContact CG2-CD2 3.47Å; T17-L19 HydrophobicContact CG2-CG 4.03Å; T17-I30 WeakPolarHBondContact O-CA 3.44Å; T17-I31 PolarHBondContact N-O 3.33Å; T17-I31 PolarHBondContact O-N 3.35Å; T17-S33 PolarHBondContact N-OG 3.37Å; T17-S33 PolarHBondContact OG1-OG 2.69Å; T17-F92 HydrophobicContact CG2-CE1 4.06Å; T17-F92 HydrophobicContact CG2-CZ 4.41Å; T17-F92 WeakPolarHBondContact OG1-CZ 3.49Å
18K98.2Very high96.6Very high27 Ų2730 Ų3012%0.11717%0.171CC..EExtended strand (participates in β ladder)trans-114.2129.3-178.6-47.6175.4-158.368.20108.7D11 P27 F29 I30 R374 W378D11-K18 HydrophobicContact CB-CB 4.26Å; D11-K18 PolarHBondContact N-O 3.21Å; D11-K18 PolarHBondContact O-N 3.18Å; D11-K18 WeakPolarHBondContact OD2-CD 3.49Å; D11-K18 IonicContact OD2-NZ 2.65Å; D11-K18 PolarHBondContact OD2-NZ 3.38Å; K18-P27 HydrophobicContact CB-CB 4.04Å; K18-P27 HydrophobicContact CB-CG 4.26Å; K18-F29 WeakPolarHBondContact CA-O 3.44Å; K18-I30 HydrophobicContact CG-CG1 4.23Å; K18-I30 HydrophobicContact CG-CG2 4.32Å; K18-R374 VanDerWaalsContact CE-O 3.22Å; K18-R374 WeakPolarHBondContact CE-O 3.31Å; K18-W378 HydrophobicContact CB-CB 4.09Å; K18-W378 HydrophobicContact CB-CG 4.03Å; K18-W378 HydrophobicContact CD-CB 4.27Å; K18-W378 VanDerWaalsContact O-CD1 3.23Å
19L98.2Very high96.6Very high0 Ų033.3 Ų33.30%019%0.185CC..EExtended strand (participates in β ladder)trans-133.2140.5-165.6-52.7172.3000110.2V10 T17 P27 Q28 F29 I31 V96 Y100 L101V10-L19 HydrophobicContact CB-CD2 4.2Å; V10-L19 HydrophobicContact CG1-CD2 3.69Å; V10-L19 HydrophobicContact CG2-CD2 3.99Å; T17-L19 HydrophobicContact CG2-CD2 3.47Å; T17-L19 VanDerWaalsContact CG2-CD2 3.47Å; T17-L19 HydrophobicContact CG2-CG 4.03Å; L19-P27 CarbonylContact O-C 3.18Å; L19-P27 WeakPolarHBondContact O-CB 3.49Å; L19-Q28 PolarHBondContact O-N 3.32Å; L19-F29 HydrophobicContact CB-CB 4.22Å; L19-F29 HydrophobicContact CB-CD2 4.46Å; L19-F29 HydrophobicContact CD1-CB 4.3Å; L19-F29 PolarHBondContact N-O 2.99Å; L19-F29 PolarHBondContact O-N 2.63Å; L19-I31 HydrophobicContact CD1-CD1 3.99Å; L19-I31 HydrophobicContact CD1-CG1 4.36Å; L19-V96 HydrophobicContact CD1-CB 4.34Å; L19-V96 HydrophobicContact CD1-CG1 3.91Å; L19-V96 HydrophobicContact CD1-CG2 3.97Å; L19-V96 HydrophobicContact CD2-CB 4.45Å; L19-V96 HydrophobicContact CD2-CG1 3.42Å; L19-V96 VanDerWaalsContact CD2-CG1 3.42Å; L19-V96 HydrophobicContact CD2-CG2 4.2Å; L19-V96 HydrophobicContact CG-CG1 4.27Å; L19-Y100 HydrophobicContact CD1-CG 4.21Å; L19-L101 HydrophobicContact CB-CD2 4.13Å
20G98.3Very high96.6Very high0 Ų035.6 Ų35.60%020%0.197CC..EExtended strand (participates in β ladder)trans167.8-177.516400000112.6V9V9-G20 PolarHBondContact N-O 3.3Å; V9-G20 PolarHBondContact O-N 3.43Å; V9-G20 VanDerWaalsContact O-N 3.16Å
21Y98.2Very high96.5Very high36 Ų3635.8 Ų35.814%0.14120%0.198CC..EExtended strand (participates in β ladder)trans-85.3145.6177.1-62.6-76.2000112.9P6 A7 C8 N24 L101 H108P6-Y21 HydrophobicContact CB-CD1 4.44Å; P6-Y21 HydrophobicContact CG-CD1 3.95Å; P6-Y21 HydrophobicContact CG-CG 4.19Å; A7-Y21 WeakPolarHBondContact O-CA 3.43Å; C8-Y21 WeakPolarHBondContact SG-CE1 3.42Å; Y21-N24 PolarHBondContact O-ND2 3.5Å; Y21-L101 PolarHBondContact OH-O 3.21Å; Y21-H108 AromaticContact CE1-CE1 3.42Å; Y21-H108 VanDerWaalsContact CE1-CE1 3.42Å; Y21-H108 WeakPolarHBondContact CE1-CE1 3.31Å; Y21-H108 AromaticContact CE1-ND1 3.68Å
22A97.1Very high96.4Very high12 Ų1236 Ų3610%0.09920%0.199CC..THydrogen-bonded Turntrans-55.8144.7170.400000111.4A7 V9 A385A7-A22 HydrophobicContact CB-CB 4.2Å; A7-A22 WeakPolarHBondContact O-CB 3.19Å; A7-A22 PolarHBondContact O-N 3.04Å; V9-A22 HydrophobicContact CG2-CB 4.2Å; A22-A385 HydrophobicContact CB-CB 3.7Å
23G93.8Very high96.5Very high54 Ų5435.2 Ų35.256%0.55719%0.194SC*.THydrogen-bonded Turntrans98.1-17.2-178.800000113.2S382 S386G23-S382 PolarHBondContact N-OG 3.27Å; G23-S386 WeakPolarHBondContact CA-OG 3.46Å; G23-S386 PolarHBondContact N-OG 3.3Å
24N95.3Very high96.6Very high71 Ų7134.4 Ų34.438%0.3819%0.186SC..  trans-80.3148171.8-66.1-49.4000111Y21 W378 S382Y21-N24 PolarHBondContact O-ND2 3.5Å; N24-W378 HydrophobicContact CB-CH2 3.99Å; N24-S382 PolarHBondContact N-OG 3.25Å; N24-S382 PolarHBondContact O-OG 2.94Å
25T92.6Very high96.6Very high92 Ų9233.7 Ų33.756%0.56418%0.181SC*.SBendtrans-83.6-17.9177.552.30000113.5Y375 F379T25-Y375 WeakPolarHBondContact O-CE2 3.45Å; T25-F379 HydrophobicContact CG2-CE2 4.21Å; T25-F379 VanDerWaalsContact O-CD2 3.26Å; T25-F379 WeakPolarHBondContact O-CD2 3.33Å
26E95.1Very high96.7Very high120 Ų12033.5 Ų33.556%0.56118%0.18SC*.SBendtrans-136.7151.117863.5-176.4-176.400110.6Y375 W378E26-Y375 HydrophobicContact CB-CE2 4.11Å; E26-W378 VanDerWaalsContact C-CH2 3.5Å; E26-W378 VanDerWaalsContact O-CH2 3.22Å; E26-W378 WeakPolarHBondContact O-CH2 3.3Å; E26-W378 WeakPolarHBondContact O-CZ3 3.42Å
27P97.4Very high96.4Very high14 Ų1431.9 Ų31.99%0.09118%0.175CC..  trans-63.5141.4175.526.9-34.5000110K18 L19 F29 I30 Y375 W378K18-P27 HydrophobicContact CB-CB 4.04Å; K18-P27 HydrophobicContact CB-CG 4.26Å; L19-P27 CarbonylContact O-C 3.18Å; L19-P27 WeakPolarHBondContact O-CB 3.49Å; P27-F29 VanDerWaalsContact C-N 3.26Å; P27-F29 PolarHBondContact O-N 3.12Å; P27-I30 HydrophobicContact CB-CG1 4.29Å; P27-I30 HydrophobicContact CG-CD1 3.79Å; P27-I30 HydrophobicContact CG-CG1 3.62Å; P27-Y375 HydrophobicContact CG-CD1 4.47Å; P27-Y375 HydrophobicContact CG-CG 4.22Å; P27-W378 HydrophobicContact CB-CD2 3.72Å; P27-W378 HydrophobicContact CB-CE3 4.05Å; P27-W378 HydrophobicContact CB-CG 4.13Å; P27-W378 HydrophobicContact CB-CZ2 4.25Å; P27-W378 HydrophobicContact CB-CZ3 4.46Å; P27-W378 HydrophobicContact CG-CD2 4.36Å; P27-W378 HydrophobicContact CG-CE3 4.36Å; P27-W378 VanDerWaalsContact N-CZ3 3.29Å
28Q97.6Very high95.7Very high89 Ų8936.8 Ų36.842%0.41620%0.196SC..SBendtrans-67.6-31.7174.2-70.6169.4-87.900111.7L19L19-Q28 PolarHBondContact O-N 3.32Å
29F98.2Very high94.4Very high69 Ų6942.3 Ų42.330%0.30322%0.222SC..EExtended strand (participates in β ladder)trans-137140.5178.3-52-84000111K18 L19 P27 I31 Y100K18-F29 WeakPolarHBondContact CA-O 3.44Å; L19-F29 HydrophobicContact CB-CB 4.22Å; L19-F29 HydrophobicContact CB-CD2 4.46Å; L19-F29 HydrophobicContact CD1-CB 4.3Å; L19-F29 PolarHBondContact N-O 2.99Å; L19-F29 PolarHBondContact O-N 2.63Å; P27-F29 VanDerWaalsContact C-N 3.26Å; P27-F29 PolarHBondContact O-N 3.12Å; F29-I31 HydrophobicContact CB-CG2 4.36Å; F29-Y100 HydrophobicContact CB-CD1 4.2Å; F29-Y100 AromaticContact CD1-CD1 3.76Å; F29-Y100 HydrophobicContact CD1-CD1 3.76Å; F29-Y100 HydrophobicContact CD1-CE1 4.39Å; F29-Y100 HydrophobicContact CD2-CD1 4.32Å; F29-Y100 HydrophobicContact CE1-CD1 4.2Å; F29-Y100 WeakPolarHBondContact CE2-O 3.37Å; F29-Y100 AromaticContact CG-CD1 3.83Å; F29-Y100 HydrophobicContact CG-CD1 3.83Å; F29-Y100 WeakPolarHBondContact CZ-O 3.32Å
30I97.2Very high92.5Very high49 Ų4945.7 Ų45.725%0.25125%0.246SC..EExtended strand (participates in β ladder)trans-127107.6166.4-57.3177.8000105.8Y16 T17 K18 P27Y16-I30 HydrophobicContact CD1-CG2 3.97Å; Y16-I30 HydrophobicContact CG-CG2 4.32Å; T17-I30 WeakPolarHBondContact O-CA 3.44Å; K18-I30 HydrophobicContact CG-CG1 4.23Å; K18-I30 HydrophobicContact CG-CG2 4.32Å; P27-I30 HydrophobicContact CB-CG1 4.29Å; P27-I30 HydrophobicContact CG-CD1 3.79Å; P27-I30 HydrophobicContact CG-CG1 3.62Å
31I97.5Very high90.3Very high4 Ų450.5 Ų50.52%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-119.9150.7-174.961.5173.6000110.8Y16 T17 L19 F29 S33 I62 F92 Y100Y16-I31 CarbonylContact C-O 3.57Å; Y16-I31 VanDerWaalsContact CA-O 3.23Å; Y16-I31 WeakPolarHBondContact CA-O 3.47Å; T17-I31 PolarHBondContact N-O 3.33Å; T17-I31 PolarHBondContact O-N 3.35Å; L19-I31 HydrophobicContact CD1-CD1 3.99Å; L19-I31 HydrophobicContact CD1-CG1 4.36Å; F29-I31 HydrophobicContact CB-CG2 4.36Å; I31-S33 PolarHBondContact O-N 2.94Å; I31-I62 HydrophobicContact CD1-CD1 3.76Å; I31-I62 HydrophobicContact CD1-CG1 4.41Å; I31-F92 HydrophobicContact CD1-CZ 4Å; I31-F92 HydrophobicContact CG1-CZ 4.44Å; I31-Y100 HydrophobicContact CD1-CD2 4.24Å; I31-Y100 HydrophobicContact CD1-CE1 4.36Å; I31-Y100 HydrophobicContact CD1-CE2 3.97Å; I31-Y100 HydrophobicContact CG2-CD1 4.19Å; I31-Y100 HydrophobicContact CG2-CE1 3.58Å
32P96.6Very high87.8Confident5 Ų557.1 Ų57.13%0.03232%0.315CS..EExtended strand (participates in β ladder)trans-53.3136.1168.1-26.233.9000112.2G15 Y16 C34 G63 D64 I67 W76G15-P32 WeakPolarHBondContact O-CA 3.36Å; Y16-P32 HydrophobicContact CE1-CG 4.38Å; P32-C34 PolarHBondContact O-N 2.84Å; P32-G63 WeakPolarHBondContact O-CA 3.42Å; P32-D64 VanDerWaalsContact CD-OD1 3.25Å; P32-D64 WeakPolarHBondContact CD-OD1 3.42Å; P32-D64 WeakPolarHBondContact CG-OD1 3.17Å; P32-I67 HydrophobicContact CB-CD1 3.84Å; P32-I67 HydrophobicContact CG-CD1 3.58Å; P32-W76 HydrophobicContact CB-CH2 4.17Å
33S97.4Very high85.3Confident1 Ų163.6 Ų63.61%0.00735%0.353CS..SBendtrans-81.348.5178.5-54.60000112.1G13 G15 Y16 T17 I31 W76 P77G13-S33 VanDerWaalsContact O-CB 3.23Å; G13-S33 WeakPolarHBondContact O-CB 3.3Å; G13-S33 PolarHBondContact O-OG 3.35Å; G15-S33 PolarHBondContact O-N 3.02Å; G15-S33 VanDerWaalsContact O-N 3.08Å; Y16-S33 VanDerWaalsContact CA-OG 3.23Å; Y16-S33 WeakPolarHBondContact CA-OG 3.3Å; Y16-S33 PolarHBondContact N-OG 3.25Å; Y16-S33 PolarHBondContact O-OG 3.12Å; T17-S33 PolarHBondContact N-OG 3.37Å; T17-S33 PolarHBondContact OG1-OG 2.69Å; I31-S33 PolarHBondContact O-N 2.94Å; S33-W76 VanDerWaalsContact O-CE3 3.26Å; S33-P77 WeakPolarHBondContact O-CD 3.11Å
34C96.6Very high83.3Confident0 Ų062.5 Ų62.50%034%0.343CS..  trans-124.5155.6-179.564.80000112.2P32 I62 G63 T74 K75 W76P32-C34 PolarHBondContact O-N 2.84Å; C34-I62 VanDerWaalsContact O-CA 3.31Å; C34-I62 WeakPolarHBondContact O-CA 3.42Å; C34-G63 PolarHBondContact O-N 3.12Å; C34-T74 HydrophobicContact CB-CG2 3.85Å; C34-K75 CarbonylContact C-O 3.46Å; C34-K75 VanDerWaalsContact CA-O 3.24Å; C34-K75 WeakPolarHBondContact CA-O 3.32Å; C34-K75 WeakPolarHBondContact CB-O 3.19Å; C34-W76 HydrophobicContact CB-CD2 3.71Å; C34-W76 HydrophobicContact CB-CE3 3.86Å; C34-W76 HydrophobicContact CB-CG 4.34Å; C34-W76 HydrophobicContact CB-CH2 3.88Å; C34-W76 HydrophobicContact CB-CZ2 3.74Å; C34-W76 HydrophobicContact CB-CZ3 3.93Å
35I96.2Very high81.3Confident0 Ų064.8 Ų64.80%036%0.355CS..EExtended strand (participates in β ladder)trans-128.8132.9177-174.2169.3000109.2I37 F60 F61 I62 K75 L88 R91I35-I37 HydrophobicContact CD1-CG2 4.13Å; I35-I37 HydrophobicContact CG1-CG2 3.94Å; I35-F60 HydrophobicContact CD1-CB 4.44Å; I35-F60 HydrophobicContact CD1-CD2 3.58Å; I35-F60 HydrophobicContact CD1-CE2 4.09Å; I35-F60 HydrophobicContact CD1-CG 4.2Å; I35-F60 HydrophobicContact CG1-CB 4.39Å; I35-F60 HydrophobicContact CG1-CD2 3.95Å; I35-F61 CarbonylContact C-O 3.5Å; I35-F61 VanDerWaalsContact CA-O 3.31Å; I35-F61 WeakPolarHBondContact CA-O 3.43Å; I35-I62 HydrophobicContact CB-CG2 4.16Å; I35-I62 HydrophobicContact CD1-CG2 4.28Å; I35-I62 HydrophobicContact CG1-CG2 3.95Å; I35-K75 HydrophobicContact CG2-CB 4.11Å; I35-K75 PolarHBondContact N-O 3.2Å; I35-K75 PolarHBondContact O-N 3.15Å; I35-L88 HydrophobicContact CD1-CD2 4.33Å; I35-L88 HydrophobicContact CG2-CB 4.19Å; I35-L88 HydrophobicContact CG2-CD1 4.13Å; I35-L88 HydrophobicContact CG2-CD2 4.13Å; I35-L88 HydrophobicContact CG2-CG 4.39Å; I35-R91 HydrophobicContact CD1-CB 3.72Å
36A94.9Very high79.6Confident0 Ų066.5 Ų66.50%036%0.356CS..EExtended strand (participates in β ladder)trans-104.4117.717500000109.1F60 F61 A66 K69 Y72 A73A36-F60 VanDerWaalsContact O-CA 3.31Å; A36-F60 WeakPolarHBondContact O-CA 3.11Å; A36-F60 WeakPolarHBondContact O-CB 3.47Å; A36-F61 HydrophobicContact CB-CB 4.46Å; A36-F61 PolarHBondContact N-O 2.98Å; A36-F61 PolarHBondContact O-N 2.92Å; A36-A66 HydrophobicContact CB-CB 3.6Å; A36-A66 WeakPolarHBondContact CB-O 3.4Å; A36-K69 HydrophobicContact CB-CB 4.47Å; A36-Y72 HydrophobicContact CB-CG 4.43Å; A36-A73 WeakPolarHBondContact CA-O 3.18Å
37I90.5Very high77.8Confident27 Ų2764.1 Ų64.114%0.13836%0.357CS..EExtended strand (participates in β ladder)trans-119.9151-179.664.3173000110.6I35 E39 F60 Y72 A73 K75 L88I35-I37 HydrophobicContact CD1-CG2 4.13Å; I35-I37 HydrophobicContact CG1-CG2 3.94Å; I37-E39 PolarHBondContact O-N 3.01Å; I37-F60 HydrophobicContact CG2-CB 4.02Å; I37-Y72 VanDerWaalsContact C-CD1 3.49Å; I37-A73 PolarHBondContact N-O 2.87Å; I37-A73 PolarHBondContact O-N 3.21Å; I37-K75 HydrophobicContact CD1-CD 3.82Å; I37-K75 HydrophobicContact CG1-CD 4.28Å; I37-L88 HydrophobicContact CD1-CD2 4.16Å; I37-L88 HydrophobicContact CG2-CD2 4.18Å
38K83.3Confident75.8Confident103 Ų10369.5 Ų69.545%0.44838%0.381SS..  trans-79.3119.8176.5-163.6175.8-175.3178.40109.9S40 D59 Y72K38-S40 PolarHBondContact O-N 2.63Å; K38-S40 VanDerWaalsContact O-N 3.15Å; K38-D59 IonicContact NZ-OD2 3.95Å; K38-Y72 HydrophobicContact CB-CD1 4.15Å; K38-Y72 HydrophobicContact CB-CE1 3.98Å
39E70.9Confident73.6Confident142 Ų14272 Ų7266%0.66439%0.387SS*.  trans-75.9103.9169.4-72.7-173.6167.600108.6I37 A41 A73I37-E39 PolarHBondContact O-N 3.01Å; E39-A41 PolarHBondContact O-N 2.89Å; E39-A73 HydrophobicContact CG-CB 3.7Å
40S58.7Low71.6Confident71 Ų7177.9 Ų77.950%0.49741%0.407SS..  trans-67.9102.5172.446.90000109.4K38 K42K38-S40 PolarHBondContact O-N 2.63Å; K38-S40 VanDerWaalsContact O-N 3.15Å; S40-K42 WeakPolarHBondContact O-CG 3.3Å; S40-K42 PolarHBondContact O-N 2.96Å
41A51.4Low69.6Low101 Ų10180.7 Ų80.784%0.83543%0.426SS*.  trans-65.497.1166.800000108.5E39 V43E39-A41 PolarHBondContact O-N 2.89Å; A41-V43 PolarHBondContact O-N 3.15Å
42K46.6Very low67.4Low175 Ų17585.6 Ų85.676%0.76145%0.45SS*.  trans-67.297.6-168.3-62.2178.5-177.1172.10112.4S40S40-K42 WeakPolarHBondContact O-CG 3.3Å; S40-K42 PolarHBondContact O-N 2.96Å
43V44Very low65.2Low148 Ų14892.2 Ų92.290%0.89748%0.479SS*.  trans-136.3107.7157.7-168.30000108.6A41A41-V43 PolarHBondContact O-N 3.15Å
44G51.3Low63.2Low32 Ų3294.1 Ų94.133%0.3350%0.498SS..SBendtrans167.1163.9179.400000114.3R49G44-R49 PolarHBondContact O-NE 3.26Å; G44-R49 PolarHBondContact O-NH2 3.16Å
45D54Low61.4Low119 Ų11998.7 Ų98.764%0.63653%0.526SS*.  trans-78.6153.6-174.5-160.41.7000113.2A47 Q48 R49D45-A47 VanDerWaalsContact C-N 3.31Å; D45-A47 PolarHBondContact O-N 2.75Å; D45-Q48 PolarHBondContact O-N 2.99Å; D45-R49 WeakPolarHBondContact O-CG 3.28Å; D45-R49 PolarHBondContact O-N 2.8Å
46Q55.9Low59.8Low127 Ų127100.5 Ų100.559%0.59354%0.536SS*.Hα-helixtrans-57.7-34.5-167.8-74.1-169.418.700114.7R49 R50Q46-R49 WeakPolarHBondContact O-CB 3.27Å; Q46-R49 PolarHBondContact O-N 3.28Å; Q46-R50 PolarHBondContact O-N 3.35Å
47A56.9Low58.5Low71 Ų71103.5 Ų103.559%0.58755%0.552SS**Hα-helixtrans-70.7-42.4-179.800000111.8D45 R49 R50 V51D45-A47 VanDerWaalsContact C-N 3.31Å; D45-A47 PolarHBondContact O-N 2.75Å; A47-R49 VanDerWaalsContact C-N 3.28Å; A47-R49 PolarHBondContact O-N 2.91Å; A47-R50 PolarHBondContact O-N 2.86Å; A47-V51 PolarHBondContact O-N 3Å
48Q56.7Low57.7Low127 Ų127108.2 Ų108.259%0.59358%0.577SS**Hα-helixtrans-63.5-36.7172.7-74.4178.9-19.100111D45 R50 M52D45-Q48 PolarHBondContact O-N 2.99Å; Q48-R50 VanDerWaalsContact C-N 3.34Å; Q48-R50 PolarHBondContact O-N 2.95Å; Q48-M52 VanDerWaalsContact O-CB 3.28Å; Q48-M52 WeakPolarHBondContact O-CB 3.42Å; Q48-M52 VanDerWaalsContact O-CG 3.27Å; Q48-M52 WeakPolarHBondContact O-CG 3.49Å; Q48-M52 PolarHBondContact O-N 3.38Å
49R51.2Low57.8Low141 Ų141105.3 Ų105.353%0.53257%0.566SS.*Hα-helixtrans-59-37.9174.9-65.4179.5-155.4-178.33.2113.2G44 D45 Q46 A47 K53G44-R49 PolarHBondContact O-NE 3.26Å; G44-R49 PolarHBondContact O-NH2 3.16Å; D45-R49 WeakPolarHBondContact O-CG 3.28Å; D45-R49 PolarHBondContact O-N 2.8Å; Q46-R49 WeakPolarHBondContact O-CB 3.27Å; Q46-R49 PolarHBondContact O-N 3.28Å; A47-R49 VanDerWaalsContact C-N 3.28Å; A47-R49 PolarHBondContact O-N 2.91Å; R49-K53 WeakPolarHBondContact O-CB 3.11Å; R49-K53 PolarHBondContact O-N 2.83Å
50R56.4Low58.9Low192 Ų19299 Ų9973%0.72554%0.536SS*.Hα-helixtrans-72.9-45.4-178.1-68.6-171.7-151.1-174.35.9112.8Q46 A47 Q48 K53 G54Q46-R50 PolarHBondContact O-N 3.35Å; A47-R50 PolarHBondContact O-N 2.86Å; Q48-R50 VanDerWaalsContact C-N 3.34Å; Q48-R50 PolarHBondContact O-N 2.95Å; R50-K53 PolarHBondContact O-N 3.09Å; R50-G54 PolarHBondContact O-N 3.32Å
51V55.3Low60.6Low108 Ų10897.6 Ų97.666%0.65552%0.521SS*.Hα-helixtrans-68.3-43.6179.6-1790000110.3A47 G54 V55A47-V51 PolarHBondContact O-N 3Å; V51-G54 PolarHBondContact O-N 3.13Å; V51-V55 PolarHBondContact O-N 3.19Å
52M50.4Low62.7Low107 Ų10792.8 Ų92.853%0.52748%0.482SS..Hα-helixtrans-66.8-36.3176.2-66.6-177.38400111.8Q48 G54 V55 D56Q48-M52 VanDerWaalsContact O-CB 3.28Å; Q48-M52 WeakPolarHBondContact O-CB 3.42Å; Q48-M52 VanDerWaalsContact O-CG 3.27Å; Q48-M52 WeakPolarHBondContact O-CG 3.49Å; Q48-M52 PolarHBondContact O-N 3.38Å; M52-G54 VanDerWaalsContact C-N 3.25Å; M52-G54 PolarHBondContact O-N 3.04Å; M52-V55 PolarHBondContact O-N 3.23Å; M52-V55 VanDerWaalsContact O-N 3.13Å; M52-D56 VanDerWaalsContact O-CB 3.27Å; M52-D56 WeakPolarHBondContact O-CB 3.44Å; M52-D56 VanDerWaalsContact O-CG 3.3Å; M52-D56 PolarHBondContact O-N 2.62Å
53K50.4Low65.1Low144 Ų14484.4 Ų84.463%0.62645%0.445SS*.Hα-helixtrans-57.8-38175.3-171.6-179.1-178-165.70112.1R49 R50 D57R49-K53 WeakPolarHBondContact O-CB 3.11Å; R49-K53 PolarHBondContact O-N 2.83Å; R50-K53 PolarHBondContact O-N 3.09Å; K53-D57 VanDerWaalsContact O-CB 3.23Å; K53-D57 WeakPolarHBondContact O-CB 3.32Å; K53-D57 PolarHBondContact O-N 3.1Å
54G56.4Low67.5Low41 Ų4181.3 Ų81.342%0.42342%0.424SS..Hα-helixtrans-69.4-35.5176.700000113.9R50 V51 M52R50-G54 PolarHBondContact O-N 3.32Å; V51-G54 PolarHBondContact O-N 3.13Å; M52-G54 VanDerWaalsContact C-N 3.25Å; M52-G54 PolarHBondContact O-N 3.04Å
55V58.7Low69.5Low97 Ų9783 Ų8359%0.58842%0.423SS*.Hα-helixtrans-77.7-43.9177179.50000111.3V51 M52 D57 L58 D59V51-V55 PolarHBondContact O-N 3.19Å; M52-V55 PolarHBondContact O-N 3.23Å; M52-V55 VanDerWaalsContact O-N 3.13Å; V55-D57 PolarHBondContact O-N 3.13Å; V55-L58 PolarHBondContact O-N 3.35Å; V55-D59 PolarHBondContact O-N 3.39Å
56D61.8Low71.4Confident37 Ų3777.4 Ų77.420%0.19839%0.393CS..Hα-helixtrans-63.9-27.7175.9-70.2-27000111.1M52 L58 D59M52-D56 VanDerWaalsContact O-CB 3.27Å; M52-D56 WeakPolarHBondContact O-CB 3.44Å; M52-D56 VanDerWaalsContact O-CG 3.3Å; M52-D56 PolarHBondContact O-N 2.62Å; D56-L58 VanDerWaalsContact C-N 3.27Å; D56-L58 PolarHBondContact O-N 3.09Å; D56-D59 PolarHBondContact O-N 2.83Å
57D68.1Low73Confident63 Ų6375.7 Ų75.734%0.33739%0.387SS..Hα-helixtrans-65.3-30.1175.4-110.14.7000113.4K53 V55 F60 R91K53-D57 VanDerWaalsContact O-CB 3.23Å; K53-D57 WeakPolarHBondContact O-CB 3.32Å; K53-D57 PolarHBondContact O-N 3.1Å; V55-D57 PolarHBondContact O-N 3.13Å; D57-F60 WeakPolarHBondContact O-CD1 3.35Å; D57-F60 WeakPolarHBondContact O-CE1 3.11Å; D57-R91 IonicContact OD1-CZ 2.75Å; D57-R91 IonicContact OD1-NH1 3.93Å; D57-R91 PolarHBondContact OD1-NH1 2.88Å; D57-R91 IonicContact OD1-NH2 3.92Å; D57-R91 PolarHBondContact OD1-NH2 2.97Å; D57-R91 IonicContact OD2-NH2 2.67Å
58L72.5Confident74.5Confident127 Ų12779.4 Ų79.467%0.66539%0.392SS*.Hα-helixtrans-90.7-10.6178.5-59.5174.9000112.4V55 D56 F60V55-L58 PolarHBondContact O-N 3.35Å; D56-L58 VanDerWaalsContact C-N 3.27Å; D56-L58 PolarHBondContact O-N 3.09Å; L58-F60 PolarHBondContact O-N 3.04Å
59D86.3Confident75.9Confident41 Ų4177 Ų7722%0.21938%0.38CS..  trans-93.373.3-178.1-171.917.3000110.6K38 V55 D56 Y72K38-D59 IonicContact NZ-OD2 3.95Å; V55-D59 PolarHBondContact O-N 3.39Å; D56-D59 PolarHBondContact O-N 2.83Å; D59-Y72 PolarHBondContact OD1-OH 3.22Å; D59-Y72 PolarHBondContact OD2-OH 3.44Å
60F93Very high76.9Confident9 Ų976.1 Ų76.14%0.03939%0.393CS..EExtended strand (participates in β ladder)trans-141.1158.8174.168.1-86.1000112.1I35 A36 I37 D57 L58 I62 R91 Q95I35-F60 HydrophobicContact CD1-CB 4.44Å; I35-F60 HydrophobicContact CD1-CD2 3.58Å; I35-F60 HydrophobicContact CD1-CE2 4.09Å; I35-F60 HydrophobicContact CD1-CG 4.2Å; I35-F60 HydrophobicContact CG1-CB 4.39Å; I35-F60 HydrophobicContact CG1-CD2 3.95Å; A36-F60 VanDerWaalsContact O-CA 3.31Å; A36-F60 WeakPolarHBondContact O-CA 3.11Å; A36-F60 WeakPolarHBondContact O-CB 3.47Å; I37-F60 HydrophobicContact CG2-CB 4.02Å; D57-F60 WeakPolarHBondContact O-CD1 3.35Å; D57-F60 WeakPolarHBondContact O-CE1 3.11Å; L58-F60 PolarHBondContact O-N 3.04Å; F60-I62 HydrophobicContact CD2-CG2 4.27Å; F60-I62 HydrophobicContact CE2-CG2 4.36Å; F60-R91 HydrophobicContact CD2-CB 4.39Å; F60-R91 HydrophobicContact CE1-CB 4.31Å; F60-R91 HydrophobicContact CE1-CG 4.41Å; F60-R91 HydrophobicContact CE2-CB 3.82Å; F60-R91 VanDerWaalsContact CE2-O 3.22Å; F60-R91 WeakPolarHBondContact CE2-O 3.49Å; F60-R91 HydrophobicContact CZ-CB 3.78Å; F60-R91 HydrophobicContact CZ-CG 4.31Å; F60-Q95 HydrophobicContact CD2-CG 4.25Å; F60-Q95 HydrophobicContact CE2-CG 3.41Å; F60-Q95 VanDerWaalsContact CE2-CG 3.41Å; F60-Q95 HydrophobicContact CZ-CG 3.93Å
61F95.1Very high78.3Confident42 Ų4272.7 Ų72.718%0.18439%0.393CS..EExtended strand (participates in β ladder)trans-128.3151.7178.7-57.9-87.8000109.7I35 A36 E65 A66 K69 Y72I35-F61 CarbonylContact C-O 3.5Å; I35-F61 VanDerWaalsContact CA-O 3.31Å; I35-F61 WeakPolarHBondContact CA-O 3.43Å; A36-F61 HydrophobicContact CB-CB 4.46Å; A36-F61 PolarHBondContact N-O 2.98Å; A36-F61 PolarHBondContact O-N 2.92Å; F61-E65 HydrophobicContact CB-CB 4.13Å; F61-E65 HydrophobicContact CD1-CB 4.28Å; F61-E65 WeakPolarHBondContact CD1-OE2 3.48Å; F61-A66 HydrophobicContact CB-CB 4.48Å; F61-A66 WeakPolarHBondContact O-CB 3.45Å; F61-K69 HydrophobicContact CD2-CD 4.15Å; F61-K69 HydrophobicContact CD2-CG 3.9Å; F61-K69 HydrophobicContact CE2-CD 4.07Å; F61-K69 HydrophobicContact CE2-CG 4.33Å; F61-K69 HydrophobicContact CG-CG 4.18Å; F61-K69 HydrophobicContact CZ-CD 4.46Å; F61-Y72 HydrophobicContact CD2-CD1 4.38Å; F61-Y72 HydrophobicContact CD2-CE1 4.16Å; F61-Y72 AromaticContact CE2-CE1 3.94Å; F61-Y72 HydrophobicContact CE2-CE1 3.94Å; F61-Y72 HydrophobicContact CE2-CE2 4.21Å; F61-Y72 AromaticContact CE2-CZ 3.75Å
62I96.8Very high79.9Confident0 Ų069.4 Ų69.40%037%0.369CS..EExtended strand (participates in β ladder)trans-124.9165.3173.670.5160.6000111.2I31 C34 I35 F60 A66 F92 Q95 V96 Y100I31-I62 HydrophobicContact CD1-CD1 3.76Å; I31-I62 HydrophobicContact CD1-CG1 4.41Å; C34-I62 VanDerWaalsContact O-CA 3.31Å; C34-I62 WeakPolarHBondContact O-CA 3.42Å; I35-I62 HydrophobicContact CB-CG2 4.16Å; I35-I62 HydrophobicContact CD1-CG2 4.28Å; I35-I62 HydrophobicContact CG1-CG2 3.95Å; F60-I62 HydrophobicContact CD2-CG2 4.27Å; F60-I62 HydrophobicContact CE2-CG2 4.36Å; I62-A66 PolarHBondContact O-N 3.32Å; I62-F92 HydrophobicContact CB-CD2 3.79Å; I62-F92 HydrophobicContact CB-CE2 3.86Å; I62-F92 HydrophobicContact CD1-CD2 4.04Å; I62-F92 HydrophobicContact CD1-CE2 3.9Å; I62-F92 HydrophobicContact CD1-CG 4.44Å; I62-F92 HydrophobicContact CD1-CZ 4.18Å; I62-F92 HydrophobicContact CG1-CE2 4.45Å; I62-F92 HydrophobicContact CG2-CB 4.49Å; I62-F92 HydrophobicContact CG2-CD2 3.65Å; I62-F92 HydrophobicContact CG2-CE2 4.26Å; I62-F92 HydrophobicContact CG2-CG 4.35Å; I62-Q95 HydrophobicContact CD1-CB 3.48Å; I62-Q95 VanDerWaalsContact CD1-CB 3.48Å; I62-Q95 HydrophobicContact CG1-CB 3.67Å; I62-Q95 HydrophobicContact CG1-CG 4.38Å; I62-Q95 HydrophobicContact CG2-CB 4.23Å; I62-Q95 HydrophobicContact CG2-CG 4.35Å; I62-V96 HydrophobicContact CD1-CG2 3.96Å; I62-Y100 HydrophobicContact CD1-CD2 4.01Å; I62-Y100 HydrophobicContact CD1-CE2 3.64Å; I62-Y100 HydrophobicContact CG1-CD2 4.47Å; I62-Y100 HydrophobicContact CG1-CE2 3.65Å
63G96.4Very high81.8Confident0 Ų065.4 Ų65.40%035%0.353CS..THydrogen-bonded Turntrans67.2-141.8173.700000113P32 C34 E65 A66 I67P32-G63 WeakPolarHBondContact O-CA 3.42Å; C34-G63 PolarHBondContact O-N 3.12Å; G63-E65 VanDerWaalsContact C-N 3.27Å; G63-E65 PolarHBondContact O-N 3.31Å; G63-A66 VanDerWaalsContact O-CB 3.31Å; G63-A66 WeakPolarHBondContact O-CB 3.21Å; G63-A66 PolarHBondContact O-N 2.81Å; G63-I67 PolarHBondContact O-N 2.95Å
64D94.4Very high83.8Confident82 Ų8261.5 Ų61.544%0.43934%0.341SS..Hα-helixtrans-62.4-36.5-177.9-57.3-59.9000111.8P32 A66 I67 E68P32-D64 VanDerWaalsContact CD-OD1 3.25Å; P32-D64 WeakPolarHBondContact CD-OD1 3.42Å; P32-D64 WeakPolarHBondContact CG-OD1 3.17Å; D64-A66 PolarHBondContact O-N 3.28Å; D64-I67 WeakPolarHBondContact O-CB 3.45Å; D64-I67 PolarHBondContact O-N 3.25Å; D64-E68 WeakPolarHBondContact O-CG 3.45Å; D64-E68 PolarHBondContact O-N 3.34Å
65E93.7Very high85.6Confident69 Ų6963.3 Ų63.332%0.32234%0.338SS..Hα-helixtrans-63-31.1175.3-71.8179.8-152.400112.4F61 G63 I67 E68 K69 K99F61-E65 HydrophobicContact CB-CB 4.13Å; F61-E65 HydrophobicContact CD1-CB 4.28Å; F61-E65 WeakPolarHBondContact CD1-OE2 3.48Å; G63-E65 VanDerWaalsContact C-N 3.27Å; G63-E65 PolarHBondContact O-N 3.31Å; E65-I67 VanDerWaalsContact C-N 3.33Å; E65-E68 PolarHBondContact O-N 3.32Å; E65-K69 WeakPolarHBondContact O-CG 3.38Å; E65-K99 WeakPolarHBondContact OE1-CE 3.23Å; E65-K99 IonicContact OE1-NZ 3.11Å; E65-K99 PolarHBondContact OE1-NZ 2.87Å; E65-K99 IonicContact OE2-NZ 2.87Å; E65-K99 PolarHBondContact OE2-NZ 2.74Å
66A94.2Very high87.3Confident0 Ų062.4 Ų62.40%032%0.324CS..Hα-helixtrans-65.8-38.2174.200000111.8A36 F61 I62 G63 D64 E68 K69A36-A66 HydrophobicContact CB-CB 3.6Å; A36-A66 WeakPolarHBondContact CB-O 3.4Å; F61-A66 HydrophobicContact CB-CB 4.48Å; F61-A66 WeakPolarHBondContact O-CB 3.45Å; I62-A66 PolarHBondContact O-N 3.32Å; G63-A66 VanDerWaalsContact O-CB 3.31Å; G63-A66 WeakPolarHBondContact O-CB 3.21Å; G63-A66 PolarHBondContact O-N 2.81Å; D64-A66 PolarHBondContact O-N 3.28Å; A66-E68 VanDerWaalsContact C-N 3.35Å; A66-K69 PolarHBondContact O-N 2.82Å
67I89.1Confident89Confident92 Ų9260.7 Ų60.747%0.47232%0.315SS..Hα-helixtrans-69.9-35.2179.4-61.2179.3000110.9P32 G63 D64 E65 K69P32-I67 HydrophobicContact CB-CD1 3.84Å; P32-I67 HydrophobicContact CG-CD1 3.58Å; G63-I67 PolarHBondContact O-N 2.95Å; D64-I67 WeakPolarHBondContact O-CB 3.45Å; D64-I67 PolarHBondContact O-N 3.25Å; E65-I67 VanDerWaalsContact C-N 3.33Å; I67-K69 PolarHBondContact O-N 2.91Å
68E87.4Confident90.4Very high148 Ų14857.9 Ų57.969%0.69230%0.3SS*.THydrogen-bonded Turntrans-78.63.5-178.4-67.7179.117900114.3D64 E65 A66 P70D64-E68 WeakPolarHBondContact O-CG 3.45Å; D64-E68 PolarHBondContact O-N 3.34Å; E65-E68 PolarHBondContact O-N 3.32Å; A66-E68 VanDerWaalsContact C-N 3.35Å; E68-P70 WeakPolarHBondContact O-CD 3.36Å
69K85.6Confident91.3Very high76 Ų7658.4 Ų58.433%0.3329%0.293SS..  trans-109.678.8-176.6-68.4-76.2-179.8-178.60111.9A36 F61 E65 A66 I67 T71 Y72A36-K69 HydrophobicContact CB-CB 4.47Å; F61-K69 HydrophobicContact CD2-CD 4.15Å; F61-K69 HydrophobicContact CD2-CG 3.9Å; F61-K69 HydrophobicContact CE2-CD 4.07Å; F61-K69 HydrophobicContact CE2-CG 4.33Å; F61-K69 HydrophobicContact CG-CG 4.18Å; F61-K69 HydrophobicContact CZ-CD 4.46Å; E65-K69 WeakPolarHBondContact O-CG 3.38Å; A66-K69 PolarHBondContact O-N 2.82Å; I67-K69 PolarHBondContact O-N 2.91Å; K69-T71 PolarHBondContact O-N 3.18Å; K69-T71 VanDerWaalsContact O-N 3.09Å; K69-Y72 HydrophobicContact CB-CD2 3.86Å; K69-Y72 HydrophobicContact CB-CG 4.23Å; K69-Y72 HydrophobicContact CD-CD2 4.4Å; K69-Y72 HydrophobicContact CD-CE2 4.39Å; K69-Y72 HydrophobicContact CG-CD2 4.49Å; K69-Y72 PolarHBondContact O-N 3.42Å
70P74.2Confident91.5Very high124 Ų12462.6 Ų62.681%0.80531%0.311SS*.THydrogen-bonded Turntrans-66-16.7-175.627.9-36.8000114.2E68 Y72E68-P70 WeakPolarHBondContact O-CD 3.36Å; P70-Y72 VanDerWaalsContact C-N 3.3Å
71T84.7Confident91.3Very high120 Ų12062.8 Ų62.874%0.73632%0.316SS*.THydrogen-bonded Turntrans-83.7-4.5176.258.10000113.4K69K69-T71 PolarHBondContact O-N 3.18Å; K69-T71 VanDerWaalsContact O-N 3.09Å
72Y88.8Confident91.3Very high38 Ų3863.3 Ų63.315%0.14932%0.32CS..SBendtrans-110.5151.2180-71.3-115.3000109.4A36 I37 K38 D59 F61 K69 P70 T74A36-Y72 HydrophobicContact CB-CG 4.43Å; I37-Y72 VanDerWaalsContact C-CD1 3.49Å; K38-Y72 HydrophobicContact CB-CD1 4.15Å; K38-Y72 HydrophobicContact CB-CE1 3.98Å; D59-Y72 PolarHBondContact OD1-OH 3.22Å; D59-Y72 PolarHBondContact OD2-OH 3.44Å; F61-Y72 HydrophobicContact CD2-CD1 4.38Å; F61-Y72 HydrophobicContact CD2-CE1 4.16Å; F61-Y72 AromaticContact CE2-CE1 3.94Å; F61-Y72 HydrophobicContact CE2-CE1 3.94Å; F61-Y72 HydrophobicContact CE2-CE2 4.21Å; F61-Y72 AromaticContact CE2-CZ 3.75Å; K69-Y72 HydrophobicContact CB-CD2 3.86Å; K69-Y72 HydrophobicContact CB-CG 4.23Å; K69-Y72 HydrophobicContact CD-CD2 4.4Å; K69-Y72 HydrophobicContact CD-CE2 4.39Å; K69-Y72 HydrophobicContact CG-CD2 4.49Å; K69-Y72 PolarHBondContact O-N 3.42Å; P70-Y72 VanDerWaalsContact C-N 3.3Å; Y72-T74 PolarHBondContact O-N 2.91Å
73A89.9Confident91.2Very high24 Ų2464.5 Ų64.520%0.19833%0.327CS..EExtended strand (participates in β ladder)trans-80.6113.217200000109.1A36 I37 E39A36-A73 WeakPolarHBondContact CA-O 3.18Å; I37-A73 PolarHBondContact N-O 2.87Å; I37-A73 PolarHBondContact O-N 3.21Å; E39-A73 HydrophobicContact CG-CB 3.7Å
74T92.6Very high91.2Very high61 Ų6170.1 Ų70.137%0.37435%0.353SS..EExtended strand (participates in β ladder)trans-76.5123.7173.4-52.30000110.2C34 Y72C34-T74 HydrophobicContact CB-CG2 3.85Å; Y72-T74 PolarHBondContact O-N 2.91Å
75K94.9Very high91.3Very high79 Ų7968.9 Ų68.934%0.34335%0.347SS..EExtended strand (participates in β ladder)trans-120.5155.4177.8-64.4-170.2176-174.60111C34 I35 I37 L88C34-K75 CarbonylContact C-O 3.46Å; C34-K75 VanDerWaalsContact CA-O 3.24Å; C34-K75 WeakPolarHBondContact CA-O 3.32Å; C34-K75 WeakPolarHBondContact CB-O 3.19Å; I35-K75 HydrophobicContact CG2-CB 4.11Å; I35-K75 PolarHBondContact N-O 3.2Å; I35-K75 PolarHBondContact O-N 3.15Å; I37-K75 HydrophobicContact CD1-CD 3.82Å; I37-K75 HydrophobicContact CG1-CD 4.28Å; K75-L88 HydrophobicContact CB-CD1 3.86Å; K75-L88 HydrophobicContact CD-CD1 3.56Å; K75-L88 HydrophobicContact CG-CD1 4.37Å
76W95.1Very high91.4Very high78 Ų7867.7 Ų67.730%0.29534%0.339SS..  trans-123.2100.4-179.3-65.583.2000107.9P32 S33 C34 I78P32-W76 HydrophobicContact CB-CH2 4.17Å; S33-W76 VanDerWaalsContact O-CE3 3.26Å; C34-W76 HydrophobicContact CB-CD2 3.71Å; C34-W76 HydrophobicContact CB-CE3 3.86Å; C34-W76 HydrophobicContact CB-CG 4.34Å; C34-W76 HydrophobicContact CB-CH2 3.88Å; C34-W76 HydrophobicContact CB-CZ2 3.74Å; C34-W76 HydrophobicContact CB-CZ3 3.93Å; W76-I78 PolarHBondContact O-N 3.17Å
77P96.8Very high91.5Very high2 Ų273.2 Ų73.21%0.01337%0.369CS..SBendtrans-69.1-17.5-176.326.1-33.9000113.3S33 E84 D85 L88 M89S33-P77 WeakPolarHBondContact O-CD 3.11Å; P77-E84 PolarHBondContact O-N 2.86Å; P77-D85 PolarHBondContact O-N 2.86Å; P77-L88 HydrophobicContact CB-CB 3.99Å; P77-M89 HydrophobicContact CG-SD 4.34Å
78I96.2Very high91.8Very high4 Ų469.3 Ų69.32%0.02135%0.349CS..EExtended strand (participates in β ladder)trans-112.2128.5-179.7-54.2172.7000109.3C12 W76 I82 V83 M89C12-I78 HydrophobicContact CB-CD1 3.71Å; W76-I78 PolarHBondContact O-N 3.17Å; I78-I82 CarbonylContact C-O 3.49Å; I78-I82 VanDerWaalsContact CA-O 3.3Å; I78-I82 WeakPolarHBondContact CA-O 3.36Å; I78-I82 WeakPolarHBondContact CG2-O 3.26Å; I78-V83 HydrophobicContact CG1-CG2 4.17Å; I78-M89 HydrophobicContact CD1-CE 4.5Å; I78-M89 HydrophobicContact CD1-SD 4.05Å; I78-M89 HydrophobicContact CG1-SD 4.09Å
79R92.4Very high92.2Very high138 Ų13862.8 Ų62.852%0.52132%0.318SS..EExtended strand (participates in β ladder)trans-129.3136.8171-58.3-159.9-169.8-146.9-4.8110.9G81 I82 E84R79-G81 PolarHBondContact O-N 2.82Å; R79-I82 PolarHBondContact N-O 3.43Å; R79-I82 PolarHBondContact O-N 2.93Å; R79-I82 VanDerWaalsContact O-O 3.13Å; R79-E84 HydrophobicContact CB-CG 4.2Å; R79-E84 WeakPolarHBondContact CB-OE1 3.43Å; R79-E84 VanDerWaalsContact CD-CD 3.5Å; R79-E84 WeakPolarHBondContact CD-OE2 3.22Å; R79-E84 HydrophobicContact CG-CG 4.29Å; R79-E84 VanDerWaalsContact CG-OE2 3.29Å; R79-E84 WeakPolarHBondContact CG-OE2 3.44Å; R79-E84 IonicContact NE-OE2 2.98Å; R79-E84 PolarHBondContact NE-OE2 2.71Å
80H89.6Confident92.8Very high128 Ų12862.3 Ų62.359%0.59332%0.318SS*.THydrogen-bonded Turntrans48.636.1179-54.2-65.9000114.4T14 G173T14-H80 PolarHBondContact OG1-N 3.31Å; H80-G173 PolarHBondContact ND1-O 2.82Å
81G90.2Very high93.8Very high14 Ų1459.5 Ų59.514%0.14429%0.291CS..THydrogen-bonded Turntrans85.7-5.7-178.400000115.8T14 R79 P115T14-G81 PolarHBondContact OG1-N 3.44Å; R79-G81 PolarHBondContact O-N 2.82Å; G81-P115 WeakPolarHBondContact O-CG 3.26Å
82I93.6Very high94.4Very high53 Ų5353.9 Ų53.927%0.27226%0.256SS..EExtended strand (participates in β ladder)trans-112.4138.7-174.2-57.8-64.6000110.6I78 R79 E84 P115 N122I78-I82 CarbonylContact C-O 3.49Å; I78-I82 VanDerWaalsContact CA-O 3.3Å; I78-I82 WeakPolarHBondContact CA-O 3.36Å; I78-I82 WeakPolarHBondContact CG2-O 3.26Å; R79-I82 PolarHBondContact N-O 3.43Å; R79-I82 PolarHBondContact O-N 2.93Å; R79-I82 VanDerWaalsContact O-O 3.13Å; I82-E84 PolarHBondContact O-N 3.46Å; I82-P115 HydrophobicContact CD1-CG 3.65Å; I82-N122 WeakPolarHBondContact CG2-ND2 3.38Å
83V96.4Very high94.8Very high25 Ų2552.2 Ų52.215%0.15225%0.25CC..EExtended strand (participates in β ladder)trans-71.8122.1171.4-1780000108.7I78 W86 M89I78-V83 HydrophobicContact CG1-CG2 4.17Å; V83-W86 HydrophobicContact CB-CD2 4.31Å; V83-W86 HydrophobicContact CB-CH2 3.95Å; V83-W86 HydrophobicContact CB-CZ2 3.69Å; V83-W86 HydrophobicContact CB-CZ3 4.37Å; V83-W86 HydrophobicContact CG1-CD2 3.66Å; V83-W86 HydrophobicContact CG1-CE3 3.89Å; V83-W86 HydrophobicContact CG1-CG 4.1Å; V83-W86 HydrophobicContact CG1-CH2 4.23Å; V83-W86 HydrophobicContact CG1-CZ2 4Å; V83-W86 HydrophobicContact CG1-CZ3 4.19Å; V83-W86 HydrophobicContact CG2-CH2 3.93Å; V83-W86 HydrophobicContact CG2-CZ2 4.18Å; V83-W86 HydrophobicContact CG2-CZ3 4.26Å; V83-M89 HydrophobicContact CG1-CB 3.78Å; V83-M89 HydrophobicContact CG1-CG 3.97Å; V83-M89 HydrophobicContact CG2-CG 4.18Å; V83-M89 HydrophobicContact CG2-SD 4.23Å
84E95Very high95.1Very high117 Ų11754.2 Ų54.255%0.54726%0.255SS..SBendtrans-102.8-22.8177-67.9-172166.700112.8P77 R79 I82P77-E84 PolarHBondContact O-N 2.86Å; R79-E84 HydrophobicContact CB-CG 4.2Å; R79-E84 WeakPolarHBondContact CB-OE1 3.43Å; R79-E84 VanDerWaalsContact CD-CD 3.5Å; R79-E84 WeakPolarHBondContact CD-OE2 3.22Å; R79-E84 HydrophobicContact CG-CG 4.29Å; R79-E84 VanDerWaalsContact CG-OE2 3.29Å; R79-E84 WeakPolarHBondContact CG-OE2 3.44Å; R79-E84 IonicContact NE-OE2 2.98Å; R79-E84 PolarHBondContact NE-OE2 2.71Å; I82-E84 PolarHBondContact O-N 3.46Å
85D96.5Very high95.3Very high56 Ų5653.2 Ų53.230%0.29925%0.246SC..  trans-132.598.2-178.2-169.5-34.6000109.7P77 D87 L88 M89P77-D85 PolarHBondContact O-N 2.86Å; D85-D87 PolarHBondContact OD1-N 2.6Å; D85-L88 HydrophobicContact CB-CB 4.16Å; D85-L88 HydrophobicContact CB-CD1 4.15Å; D85-L88 HydrophobicContact CB-CG 4.29Å; D85-L88 VanDerWaalsContact CG-CG 3.44Å; D85-L88 WeakPolarHBondContact OD1-CG 3.29Å; D85-L88 PolarHBondContact OD1-N 3.06Å; D85-L88 WeakPolarHBondContact OD2-CD1 3.23Å; D85-L88 WeakPolarHBondContact OD2-CG 3.38Å; D85-M89 WeakPolarHBondContact O-CB 3.28Å; D85-M89 PolarHBondContact O-N 2.82Å
86W96.8Very high95.5Very high45 Ų4549.4 Ų49.417%0.1723%0.23CC..Hα-helixtrans-72.5-32.3-176.5-72.7101.8000113V83 L88 M89 E90 N122 Y125 T126 I129V83-W86 HydrophobicContact CB-CD2 4.31Å; V83-W86 HydrophobicContact CB-CH2 3.95Å; V83-W86 HydrophobicContact CB-CZ2 3.69Å; V83-W86 HydrophobicContact CB-CZ3 4.37Å; V83-W86 HydrophobicContact CG1-CD2 3.66Å; V83-W86 HydrophobicContact CG1-CE3 3.89Å; V83-W86 HydrophobicContact CG1-CG 4.1Å; V83-W86 HydrophobicContact CG1-CH2 4.23Å; V83-W86 HydrophobicContact CG1-CZ2 4Å; V83-W86 HydrophobicContact CG1-CZ3 4.19Å; V83-W86 HydrophobicContact CG2-CH2 3.93Å; V83-W86 HydrophobicContact CG2-CZ2 4.18Å; V83-W86 HydrophobicContact CG2-CZ3 4.26Å; W86-L88 VanDerWaalsContact C-N 3.33Å; W86-L88 PolarHBondContact O-N 3.1Å; W86-M89 HydrophobicContact CE3-CB 4.38Å; W86-M89 HydrophobicContact CE3-CG 4.47Å; W86-M89 PolarHBondContact O-N 3.13Å; W86-M89 VanDerWaalsContact O-N 3.16Å; W86-E90 PolarHBondContact O-N 3.01Å; W86-N122 HydrophobicContact CH2-CB 4.27Å; W86-N122 WeakPolarHBondContact CH2-O 3.44Å; W86-N122 HydrophobicContact CZ2-CB 3.64Å; W86-N122 WeakPolarHBondContact CZ2-O 3.47Å; W86-Y125 AromaticContact CD1-CD2 3.9Å; W86-Y125 HydrophobicContact CD2-CD2 4.34Å; W86-Y125 HydrophobicContact CD2-CG 4.13Å; W86-Y125 AromaticContact CE2-CD2 3.82Å; W86-Y125 HydrophobicContact CG-CD2 4.41Å; W86-Y125 HydrophobicContact CG-CG 4.26Å; W86-Y125 HydrophobicContact CZ2-CD2 4.33Å; W86-Y125 AromaticContact NE1-CD2 3.5Å; W86-T126 WeakPolarHBondContact CH2-OG1 3.28Å; W86-T126 WeakPolarHBondContact CZ3-OG1 3.3Å; W86-I129 HydrophobicContact CE3-CD1 3.62Å; W86-I129 HydrophobicContact CZ3-CD1 4.19Å
87D95Very high95.6Very high116 Ų11645.7 Ų45.762%0.6222%0.216SC*.Hα-helixtrans-62.8-42.8175.1-67.1-12000110.5D85 R91D85-D87 PolarHBondContact OD1-N 2.6Å; D87-R91 WeakPolarHBondContact O-CG 3.22Å; D87-R91 PolarHBondContact O-N 3.1Å
88L95.4Very high95.7Very high10 Ų1050.4 Ų50.45%0.05224%0.236CC..Hα-helixtrans-71.6-33.2174.2-68.2-176.4000112.4I35 I37 K75 P77 D85 W86 F92I35-L88 HydrophobicContact CD1-CD2 4.33Å; I35-L88 HydrophobicContact CG2-CB 4.19Å; I35-L88 HydrophobicContact CG2-CD1 4.13Å; I35-L88 HydrophobicContact CG2-CD2 4.13Å; I35-L88 HydrophobicContact CG2-CG 4.39Å; I37-L88 HydrophobicContact CD1-CD2 4.16Å; I37-L88 HydrophobicContact CG2-CD2 4.18Å; K75-L88 HydrophobicContact CB-CD1 3.86Å; K75-L88 HydrophobicContact CD-CD1 3.56Å; K75-L88 HydrophobicContact CG-CD1 4.37Å; P77-L88 HydrophobicContact CB-CB 3.99Å; D85-L88 HydrophobicContact CB-CB 4.16Å; D85-L88 HydrophobicContact CB-CD1 4.15Å; D85-L88 HydrophobicContact CB-CG 4.29Å; D85-L88 VanDerWaalsContact CG-CG 3.44Å; D85-L88 WeakPolarHBondContact OD1-CG 3.29Å; D85-L88 PolarHBondContact OD1-N 3.06Å; D85-L88 WeakPolarHBondContact OD2-CD1 3.23Å; D85-L88 WeakPolarHBondContact OD2-CG 3.38Å; W86-L88 VanDerWaalsContact C-N 3.33Å; W86-L88 PolarHBondContact O-N 3.1Å; L88-F92 VanDerWaalsContact O-CB 3.28Å; L88-F92 WeakPolarHBondContact O-CB 3.46Å; L88-F92 PolarHBondContact O-N 3.37Å
89M97.2Very high95.7Very high10 Ų1053.3 Ų53.35%0.04925%0.248CC..Hα-helixtrans-66.7-39.7177.3-166.964.9-14300111.7C12 P77 I78 V83 D85 W86 F92 M93C12-M89 HydrophobicContact CB-CE 4.48Å; P77-M89 HydrophobicContact CG-SD 4.34Å; I78-M89 HydrophobicContact CD1-CE 4.5Å; I78-M89 HydrophobicContact CD1-SD 4.05Å; I78-M89 HydrophobicContact CG1-SD 4.09Å; V83-M89 HydrophobicContact CG1-CB 3.78Å; V83-M89 HydrophobicContact CG1-CG 3.97Å; V83-M89 HydrophobicContact CG2-CG 4.18Å; V83-M89 HydrophobicContact CG2-SD 4.23Å; D85-M89 WeakPolarHBondContact O-CB 3.28Å; D85-M89 PolarHBondContact O-N 2.82Å; W86-M89 HydrophobicContact CE3-CB 4.38Å; W86-M89 HydrophobicContact CE3-CG 4.47Å; W86-M89 PolarHBondContact O-N 3.13Å; W86-M89 VanDerWaalsContact O-N 3.16Å; M89-F92 HydrophobicContact CE-CD1 3.79Å; M89-F92 HydrophobicContact CE-CE1 4.41Å; M89-F92 WeakPolarHBondContact O-CB 3.32Å; M89-F92 PolarHBondContact O-N 3.35Å; M89-M93 HydrophobicContact CE-CG 3.83Å; M89-M93 HydrophobicContact CE-SD 3.78Å; M89-M93 WeakPolarHBondContact O-CB 3.39Å; M89-M93 WeakPolarHBondContact O-CG 3.48Å; M89-M93 PolarHBondContact O-N 3.25Å
90E97.2Very high95.9Very high67 Ų6748 Ų4831%0.31323%0.228SC..Hα-helixtrans-61-49.5175.2-176174.3-164.600111.3W86 F92 M93 E94 I129 S133W86-E90 PolarHBondContact O-N 3.01Å; E90-F92 VanDerWaalsContact C-N 3.28Å; E90-F92 PolarHBondContact O-N 2.82Å; E90-M93 WeakPolarHBondContact O-CB 3.43Å; E90-M93 PolarHBondContact O-N 2.91Å; E90-M93 VanDerWaalsContact O-N 3.11Å; E90-E94 PolarHBondContact O-N 3.44Å; E90-I129 HydrophobicContact CB-CD1 3.91Å; E90-I129 HydrophobicContact CB-CG1 4.12Å; E90-I129 HydrophobicContact CB-CG2 4.4Å; E90-I129 HydrophobicContact CG-CG1 4.24Å; E90-I129 HydrophobicContact CG-CG2 4.15Å; E90-S133 WeakPolarHBondContact OE1-CB 3.38Å; E90-S133 PolarHBondContact OE1-OG 3.37Å
91R95.5Very high96.3Very high65 Ų6542.2 Ų42.225%0.24520%0.202CC..Hα-helixtrans-59.6-40173.8-67.1178.8-160.4-136.6-4.4112.3I35 D57 F60 D87 M93 E94 Q95I35-R91 HydrophobicContact CD1-CB 3.72Å; D57-R91 IonicContact OD1-CZ 2.75Å; D57-R91 IonicContact OD1-NH1 3.93Å; D57-R91 PolarHBondContact OD1-NH1 2.88Å; D57-R91 IonicContact OD1-NH2 3.92Å; D57-R91 PolarHBondContact OD1-NH2 2.97Å; D57-R91 IonicContact OD2-NH2 2.67Å; F60-R91 HydrophobicContact CD2-CB 4.39Å; F60-R91 HydrophobicContact CE1-CB 4.31Å; F60-R91 HydrophobicContact CE1-CG 4.41Å; F60-R91 HydrophobicContact CE2-CB 3.82Å; F60-R91 VanDerWaalsContact CE2-O 3.22Å; F60-R91 WeakPolarHBondContact CE2-O 3.49Å; F60-R91 HydrophobicContact CZ-CB 3.78Å; F60-R91 HydrophobicContact CZ-CG 4.31Å; D87-R91 WeakPolarHBondContact O-CG 3.22Å; D87-R91 PolarHBondContact O-N 3.1Å; R91-M93 VanDerWaalsContact C-N 3.33Å; R91-E94 WeakPolarHBondContact O-CB 2.91Å; R91-E94 PolarHBondContact O-N 3.06Å; R91-Q95 PolarHBondContact O-N 2.75Å
92F97.4Very high96.6Very high1 Ų151.3 Ų51.30%0.00423%0.232CC..Hα-helixtrans-61.6-44.9175.9-176.5-86.1000110.9T17 I31 I62 L88 M89 E90 E94 Q95 V96T17-F92 HydrophobicContact CG2-CE1 4.06Å; T17-F92 HydrophobicContact CG2-CZ 4.41Å; T17-F92 WeakPolarHBondContact OG1-CZ 3.49Å; I31-F92 HydrophobicContact CD1-CZ 4Å; I31-F92 HydrophobicContact CG1-CZ 4.44Å; I62-F92 HydrophobicContact CB-CD2 3.79Å; I62-F92 HydrophobicContact CB-CE2 3.86Å; I62-F92 HydrophobicContact CD1-CD2 4.04Å; I62-F92 HydrophobicContact CD1-CE2 3.9Å; I62-F92 HydrophobicContact CD1-CG 4.44Å; I62-F92 HydrophobicContact CD1-CZ 4.18Å; I62-F92 HydrophobicContact CG1-CE2 4.45Å; I62-F92 HydrophobicContact CG2-CB 4.49Å; I62-F92 HydrophobicContact CG2-CD2 3.65Å; I62-F92 HydrophobicContact CG2-CE2 4.26Å; I62-F92 HydrophobicContact CG2-CG 4.35Å; L88-F92 VanDerWaalsContact O-CB 3.28Å; L88-F92 WeakPolarHBondContact O-CB 3.46Å; L88-F92 PolarHBondContact O-N 3.37Å; M89-F92 HydrophobicContact CE-CD1 3.79Å; M89-F92 HydrophobicContact CE-CE1 4.41Å; M89-F92 WeakPolarHBondContact O-CB 3.32Å; M89-F92 PolarHBondContact O-N 3.35Å; E90-F92 VanDerWaalsContact C-N 3.28Å; E90-F92 PolarHBondContact O-N 2.82Å; F92-E94 VanDerWaalsContact C-N 3.34Å; F92-E94 PolarHBondContact O-N 3.37Å; F92-Q95 PolarHBondContact O-N 3.18Å; F92-V96 HydrophobicContact CD1-CG2 3.78Å; F92-V96 HydrophobicContact CE1-CG2 3.47Å; F92-V96 VanDerWaalsContact CE1-CG2 3.47Å; F92-V96 HydrophobicContact CZ-CG2 4.18Å; F92-V96 WeakPolarHBondContact O-CG2 3.42Å; F92-V96 PolarHBondContact O-N 3.49Å
93M98Very high96.8Very high4 Ų449 Ų492%0.0222%0.221CC..Hα-helixtrans-63.9-35.6177.2-75.7-53.7-58.100113.1V10 M89 E90 R91 Q95 V96 I97 L112 M130 F134V10-M93 HydrophobicContact CG1-CE 4.18Å; V10-M93 HydrophobicContact CG1-SD 4.15Å; V10-M93 HydrophobicContact CG2-CE 4.46Å; M89-M93 HydrophobicContact CE-CG 3.83Å; M89-M93 HydrophobicContact CE-SD 3.78Å; M89-M93 WeakPolarHBondContact O-CB 3.39Å; M89-M93 WeakPolarHBondContact O-CG 3.48Å; M89-M93 PolarHBondContact O-N 3.25Å; E90-M93 WeakPolarHBondContact O-CB 3.43Å; E90-M93 PolarHBondContact O-N 2.91Å; E90-M93 VanDerWaalsContact O-N 3.11Å; R91-M93 VanDerWaalsContact C-N 3.33Å; M93-Q95 PolarHBondContact O-N 3.27Å; M93-V96 HydrophobicContact CE-CG1 4.11Å; M93-V96 WeakPolarHBondContact O-CB 3.11Å; M93-V96 PolarHBondContact O-N 3.24Å; M93-V96 HydrophobicContact SD-CB 4.45Å; M93-V96 HydrophobicContact SD-CG1 4.41Å; M93-I97 HydrophobicContact CE-CD1 4.21Å; M93-I97 HydrophobicContact CE-CG1 4.27Å; M93-I97 WeakPolarHBondContact O-CB 3.14Å; M93-I97 VanDerWaalsContact O-CG1 3.32Å; M93-I97 WeakPolarHBondContact O-CG1 3.49Å; M93-I97 PolarHBondContact O-N 3.23Å; M93-L112 HydrophobicContact CE-CD2 4.26Å; M93-M130 HydrophobicContact CE-SD 3.98Å; M93-F134 HydrophobicContact CB-CE2 3.64Å; M93-F134 HydrophobicContact CB-CZ 4.01Å
94E96.5Very high96.8Very high66 Ų6652.6 Ų52.631%0.30824%0.236SC..Hα-helixtrans-55.4-52.1175-175.2-167.2122.700111.1E90 R91 F92 V96 I97 F98 F134E90-E94 PolarHBondContact O-N 3.44Å; R91-E94 WeakPolarHBondContact O-CB 2.91Å; R91-E94 PolarHBondContact O-N 3.06Å; F92-E94 VanDerWaalsContact C-N 3.34Å; F92-E94 PolarHBondContact O-N 3.37Å; E94-V96 PolarHBondContact O-N 3.4Å; E94-I97 PolarHBondContact O-N 2.99Å; E94-F98 HydrophobicContact CG-CD2 3.75Å; E94-F98 HydrophobicContact CG-CE2 4.06Å; E94-F98 VanDerWaalsContact O-CD2 3.23Å; E94-F98 WeakPolarHBondContact O-CD2 3.28Å; E94-F98 PolarHBondContact O-N 3.01Å; E94-F134 HydrophobicContact CB-CE1 4.08Å; E94-F134 HydrophobicContact CB-CZ 4.02Å; E94-F134 HydrophobicContact CG-CE1 4.43Å
95Q96.4Very high96.9Very high39 Ų3947.1 Ų47.118%0.18221%0.211CC..Hα-helixtrans-67.5-37.1178.1-70.5-69.5-40.300111.8F60 I62 R91 F92 M93 I97 K99 Y100F60-Q95 HydrophobicContact CD2-CG 4.25Å; F60-Q95 HydrophobicContact CE2-CG 3.41Å; F60-Q95 VanDerWaalsContact CE2-CG 3.41Å; F60-Q95 HydrophobicContact CZ-CG 3.93Å; I62-Q95 HydrophobicContact CD1-CB 3.48Å; I62-Q95 VanDerWaalsContact CD1-CB 3.48Å; I62-Q95 HydrophobicContact CG1-CB 3.67Å; I62-Q95 HydrophobicContact CG1-CG 4.38Å; I62-Q95 HydrophobicContact CG2-CB 4.23Å; I62-Q95 HydrophobicContact CG2-CG 4.35Å; R91-Q95 PolarHBondContact O-N 2.75Å; F92-Q95 PolarHBondContact O-N 3.18Å; M93-Q95 PolarHBondContact O-N 3.27Å; Q95-I97 VanDerWaalsContact C-N 3.33Å; Q95-I97 PolarHBondContact O-N 3.28Å; Q95-K99 WeakPolarHBondContact O-CA 3.27Å; Q95-K99 VanDerWaalsContact O-CB 3.26Å; Q95-K99 WeakPolarHBondContact O-CB 3.21Å; Q95-K99 PolarHBondContact O-N 2.76Å; Q95-Y100 WeakPolarHBondContact O-CD2 3.26Å; Q95-Y100 PolarHBondContact O-N 3.23Å; Q95-Y100 VanDerWaalsContact O-N 3.13Å
96V98.3Very high96.9Very high0 Ų049.4 Ų49.40%022%0.22CC..Iπ-helixtrans-55.3-48.6173.1162.30000111.2V10 L19 I62 F92 M93 E94 Y100 L101V10-V96 HydrophobicContact CG1-CG1 4.48Å; V10-V96 HydrophobicContact CG2-CG1 4.29Å; L19-V96 HydrophobicContact CD1-CB 4.34Å; L19-V96 HydrophobicContact CD1-CG1 3.91Å; L19-V96 HydrophobicContact CD1-CG2 3.97Å; L19-V96 HydrophobicContact CD2-CB 4.45Å; L19-V96 HydrophobicContact CD2-CG1 3.42Å; L19-V96 VanDerWaalsContact CD2-CG1 3.42Å; L19-V96 HydrophobicContact CD2-CG2 4.2Å; L19-V96 HydrophobicContact CG-CG1 4.27Å; I62-V96 HydrophobicContact CD1-CG2 3.96Å; F92-V96 HydrophobicContact CD1-CG2 3.78Å; F92-V96 HydrophobicContact CE1-CG2 3.47Å; F92-V96 VanDerWaalsContact CE1-CG2 3.47Å; F92-V96 HydrophobicContact CZ-CG2 4.18Å; F92-V96 WeakPolarHBondContact O-CG2 3.42Å; F92-V96 PolarHBondContact O-N 3.49Å; M93-V96 HydrophobicContact CE-CG1 4.11Å; M93-V96 WeakPolarHBondContact O-CB 3.11Å; M93-V96 PolarHBondContact O-N 3.24Å; M93-V96 HydrophobicContact SD-CB 4.45Å; M93-V96 HydrophobicContact SD-CG1 4.41Å; E94-V96 PolarHBondContact O-N 3.4Å; V96-Y100 WeakPolarHBondContact O-CB 3.28Å; V96-L101 HydrophobicContact CG1-CD1 4.16Å; V96-L101 WeakPolarHBondContact O-CG 3.13Å; V96-L101 PolarHBondContact O-N 3.36Å
97I98.3Very high97Very high0 Ų052 Ų520%024%0.237CC..Iπ-helixtrans-72.6-56.5-175.6-67.7167.8000110.7M93 E94 Q95 L101 R102 A103 P105 F110 M130 F134M93-I97 HydrophobicContact CE-CD1 4.21Å; M93-I97 HydrophobicContact CE-CG1 4.27Å; M93-I97 WeakPolarHBondContact O-CB 3.14Å; M93-I97 VanDerWaalsContact O-CG1 3.32Å; M93-I97 WeakPolarHBondContact O-CG1 3.49Å; M93-I97 PolarHBondContact O-N 3.23Å; E94-I97 PolarHBondContact O-N 2.99Å; Q95-I97 VanDerWaalsContact C-N 3.33Å; Q95-I97 PolarHBondContact O-N 3.28Å; I97-L101 WeakPolarHBondContact O-CB 3.36Å; I97-R102 PolarHBondContact O-N 3.12Å; I97-A103 PolarHBondContact O-N 3.47Å; I97-A103 VanDerWaalsContact O-N 3.14Å; I97-P105 HydrophobicContact CG2-CB 4.02Å; I97-P105 HydrophobicContact CG2-CG 4.06Å; I97-F110 HydrophobicContact CD1-CE1 4.32Å; I97-F110 HydrophobicContact CD1-CZ 4.35Å; I97-F110 HydrophobicContact CG1-CE1 4.01Å; I97-F110 HydrophobicContact CG1-CZ 4.14Å; I97-M130 HydrophobicContact CD1-CE 4.22Å; I97-F134 HydrophobicContact CD1-CB 4.16Å; I97-F134 HydrophobicContact CD1-CD1 3.9Å; I97-F134 HydrophobicContact CD1-CD2 3.63Å; I97-F134 HydrophobicContact CD1-CE1 4.21Å; I97-F134 HydrophobicContact CD1-CE2 3.94Å; I97-F134 HydrophobicContact CD1-CG 3.61Å; I97-F134 HydrophobicContact CD1-CZ 4.24Å
98F97.3Very high97.1Very high100 Ų10047.1 Ų47.144%0.43921%0.21SC..Iπ-helixtrans-83.8-35.9-168.5-63.1-65.4000113.5E94 R102 P105 F134E94-F98 HydrophobicContact CG-CD2 3.75Å; E94-F98 HydrophobicContact CG-CE2 4.06Å; E94-F98 VanDerWaalsContact O-CD2 3.23Å; E94-F98 WeakPolarHBondContact O-CD2 3.28Å; E94-F98 PolarHBondContact O-N 3.01Å; F98-R102 WeakPolarHBondContact O-CA 3.35Å; F98-P105 HydrophobicContact CE1-CG 4.11Å; F98-P105 HydrophobicContact CZ-CG 4.01Å; F98-F134 HydrophobicContact CE2-CD1 4.05Å; F98-F134 AromaticContact CE2-CE1 3.96Å; F98-F134 HydrophobicContact CE2-CE1 3.96Å; F98-F134 HydrophobicContact CZ-CD1 4.37Å
99K96.1Very high97.2Very high65 Ų6548.1 Ų48.128%0.28321%0.214SC..Iπ-helixtrans-91.5-48.6-177.2176.1-177174.4-175.50112.9E65 Q95 R102E65-K99 WeakPolarHBondContact OE1-CE 3.23Å; E65-K99 IonicContact OE1-NZ 3.11Å; E65-K99 PolarHBondContact OE1-NZ 2.87Å; E65-K99 IonicContact OE2-NZ 2.87Å; E65-K99 PolarHBondContact OE2-NZ 2.74Å; Q95-K99 WeakPolarHBondContact O-CA 3.27Å; Q95-K99 VanDerWaalsContact O-CB 3.26Å; Q95-K99 WeakPolarHBondContact O-CB 3.21Å; Q95-K99 PolarHBondContact O-N 2.76Å; K99-R102 WeakPolarHBondContact O-CG 3.37Å
100Y97.7Very high97.3Very high26 Ų2647.7 Ų47.710%0.10221%0.211CC..Iπ-helixtrans-83.9-60-175.2-73.6-87.2000111.9L19 F29 I31 I62 Q95 V96 R102L19-Y100 HydrophobicContact CD1-CG 4.21Å; F29-Y100 HydrophobicContact CB-CD1 4.2Å; F29-Y100 AromaticContact CD1-CD1 3.76Å; F29-Y100 HydrophobicContact CD1-CD1 3.76Å; F29-Y100 HydrophobicContact CD1-CE1 4.39Å; F29-Y100 HydrophobicContact CD2-CD1 4.32Å; F29-Y100 HydrophobicContact CE1-CD1 4.2Å; F29-Y100 WeakPolarHBondContact CE2-O 3.37Å; F29-Y100 AromaticContact CG-CD1 3.83Å; F29-Y100 HydrophobicContact CG-CD1 3.83Å; F29-Y100 WeakPolarHBondContact CZ-O 3.32Å; I31-Y100 HydrophobicContact CD1-CD2 4.24Å; I31-Y100 HydrophobicContact CD1-CE1 4.36Å; I31-Y100 HydrophobicContact CD1-CE2 3.97Å; I31-Y100 HydrophobicContact CG2-CD1 4.19Å; I31-Y100 HydrophobicContact CG2-CE1 3.58Å; I62-Y100 HydrophobicContact CD1-CD2 4.01Å; I62-Y100 HydrophobicContact CD1-CE2 3.64Å; I62-Y100 HydrophobicContact CG1-CD2 4.47Å; I62-Y100 HydrophobicContact CG1-CE2 3.65Å; Q95-Y100 WeakPolarHBondContact O-CD2 3.26Å; Q95-Y100 PolarHBondContact O-N 3.23Å; Q95-Y100 VanDerWaalsContact O-N 3.13Å; V96-Y100 WeakPolarHBondContact O-CB 3.28Å; Y100-R102 VanDerWaalsContact C-N 3.3Å; Y100-R102 PolarHBondContact O-N 3.39Å
101L97.7Very high97.3Very high7 Ų744.5 Ų44.54%0.03720%0.196CC..Iπ-helixtrans-68.8-33178.2-65.9174.4000111.3C8 V10 L19 Y21 V96 I97 A103 F110C8-L101 HydrophobicContact CB-CD1 4.04Å; V10-L101 HydrophobicContact CG2-CD1 4.23Å; L19-L101 HydrophobicContact CB-CD2 4.13Å; Y21-L101 PolarHBondContact OH-O 3.21Å; V96-L101 HydrophobicContact CG1-CD1 4.16Å; V96-L101 WeakPolarHBondContact O-CG 3.13Å; V96-L101 PolarHBondContact O-N 3.36Å; I97-L101 WeakPolarHBondContact O-CB 3.36Å; L101-A103 HydrophobicContact CB-CB 4.17Å; L101-A103 PolarHBondContact O-N 3.18Å; L101-F110 HydrophobicContact CD1-CE1 4.24Å
102R97.3Very high97.4Very high206 Ų20642 Ų4278%0.77719%0.188SC*.  trans56.639.1-173.1-52.9178.8-178.9-178.9-0.6111.1I97 F98 K99 Y100I97-R102 PolarHBondContact O-N 3.12Å; F98-R102 WeakPolarHBondContact O-CA 3.35Å; K99-R102 WeakPolarHBondContact O-CG 3.37Å; Y100-R102 VanDerWaalsContact C-N 3.3Å; Y100-R102 PolarHBondContact O-N 3.39Å
103A96.1Very high97.3Very high5 Ų542.8 Ų42.84%0.04119%0.193CC..  trans-95.4145.6-18000000110.2I97 L101 P105I97-A103 PolarHBondContact O-N 3.47Å; I97-A103 VanDerWaalsContact O-N 3.14Å; L101-A103 HydrophobicContact CB-CB 4.17Å; L101-A103 PolarHBondContact O-N 3.18Å; A103-P105 WeakPolarHBondContact O-CD 3.22Å
104E97Very high97.2Very high99 Ų9942.7 Ų42.746%0.46319%0.192SC..  trans-83.1106.5157.3-176.857.7-110.900106.9E106 D107 H108E104-E106 HydrophobicContact CG-CB 4.49Å; E104-E106 PolarHBondContact O-N 2.98Å; E104-E106 VanDerWaalsContact O-N 3.1Å; E104-D107 PolarHBondContact O-N 3.5Å; E104-H108 PolarHBondContact O-CD2 2.86Å
105P97.4Very high96.9Very high3 Ų340 Ų402%0.01918%0.181CC..G310 helixtrans-58.6-28.5-170.322.6-34.7000113.6I97 F98 A103 D107 H108 F110 F134 V136 P137I97-P105 HydrophobicContact CG2-CB 4.02Å; I97-P105 HydrophobicContact CG2-CG 4.06Å; F98-P105 HydrophobicContact CE1-CG 4.11Å; F98-P105 HydrophobicContact CZ-CG 4.01Å; A103-P105 WeakPolarHBondContact O-CD 3.22Å; P105-D107 PolarHBondContact O-N 2.88Å; P105-H108 PolarHBondContact O-N 2.84Å; P105-F110 HydrophobicContact CB-CE2 4.17Å; P105-F110 HydrophobicContact CB-CZ 4.32Å; P105-F134 HydrophobicContact CB-CB 4.06Å; P105-F134 VanDerWaalsContact CB-O 3.3Å; P105-F134 WeakPolarHBondContact CB-O 3.4Å; P105-F134 HydrophobicContact CG-CB 4.21Å; P105-F134 VanDerWaalsContact CG-O 3.28Å; P105-F134 WeakPolarHBondContact CG-O 3.35Å; P105-V136 HydrophobicContact CB-CG1 3.99Å; P105-P137 VanDerWaalsContact O-CD 3.28Å; P105-P137 WeakPolarHBondContact O-CD 3.35Å
106E97.4Very high96.4Very high104 Ų10439.2 Ų39.249%0.48618%0.179SC..G310 helixtrans-63.9-22.9177.5-56.5-167159.500113.7E104 N135 P137E104-E106 HydrophobicContact CG-CB 4.49Å; E104-E106 PolarHBondContact O-N 2.98Å; E104-E106 VanDerWaalsContact O-N 3.1Å; E106-N135 HydrophobicContact CG-CB 4.02Å; E106-N135 PolarHBondContact OE1-ND2 3.45Å; E106-P137 WeakPolarHBondContact O-CD 3.35Å; E106-P137 WeakPolarHBondContact O-CG 3.39Å
107D96.9Very high95.8Very high99 Ų9943.5 Ų43.553%0.52920%0.201SC..G310 helixtrans-94.8-6-177.9-69.3-32.6000113.4L5 E104 P105L5-D107 HydrophobicContact CD1-CB 3.73Å; E104-D107 PolarHBondContact O-N 3.5Å; P105-D107 PolarHBondContact O-N 2.88Å
108H97.7Very high95.5Very high13 Ų1344.6 Ų44.66%0.0621%0.207CC..  trans-125.8135.1-170.9-71-95.9000112.9L5 P6 Y21 E104 P105 F110 P137L5-H108 VanDerWaalsContact CD1-NE2 3.32Å; L5-H108 WeakPolarHBondContact CD1-NE2 3.35Å; P6-H108 PolarHBondContact O-ND1 2.9Å; Y21-H108 AromaticContact CE1-CE1 3.42Å; Y21-H108 VanDerWaalsContact CE1-CE1 3.42Å; Y21-H108 WeakPolarHBondContact CE1-CE1 3.31Å; Y21-H108 AromaticContact CE1-ND1 3.68Å; E104-H108 PolarHBondContact O-CD2 2.86Å; P105-H108 PolarHBondContact O-N 2.84Å; H108-F110 HydrophobicContact CB-CD2 4.47Å; H108-F110 HydrophobicContact CB-CE2 3.92Å; H108-F110 VanDerWaalsContact O-CD2 3.29Å; H108-F110 WeakPolarHBondContact O-CD2 3.45Å; H108-F110 WeakPolarHBondContact O-CE2 3.45Å; H108-P137 VanDerWaalsContact O-CD 3.23Å; H108-P137 WeakPolarHBondContact O-CD 3.32Å; H108-P137 WeakPolarHBondContact O-CG 3.38Å
109Y97.9Very high95.3Very high32 Ų3242.6 Ų42.613%0.12520%0.203CC..  trans-76.1149.1164.3-81.4-130.1000109.2A7 C8 P137 G138 F390 Y391 C394A7-Y109 CarbonylContact C-O 3.38Å; A7-Y109 VanDerWaalsContact CA-O 3.22Å; A7-Y109 WeakPolarHBondContact CA-O 3.38Å; A7-Y109 WeakPolarHBondContact CB-O 3.4Å; C8-Y109 PolarHBondContact N-O 3.37Å; Y109-P137 HydrophobicContact CD2-CB 4.24Å; Y109-P137 HydrophobicContact CD2-CG 3.71Å; Y109-P137 HydrophobicContact CE2-CB 3.8Å; Y109-P137 HydrophobicContact CE2-CG 3.8Å; Y109-G138 WeakPolarHBondContact CA-O 3.4Å; Y109-F390 HydrophobicContact CD1-CE1 4.42Å; Y109-Y391 AromaticContact CD1-CD1 3.63Å; Y109-Y391 HydrophobicContact CD1-CD1 3.63Å; Y109-Y391 HydrophobicContact CD1-CE1 4.27Å; Y109-Y391 HydrophobicContact CD2-CD1 4.2Å; Y109-Y391 HydrophobicContact CD2-CE1 4.33Å; Y109-Y391 AromaticContact CE1-CD1 3.98Å; Y109-Y391 HydrophobicContact CE1-CD1 3.98Å; Y109-Y391 AromaticContact CG-CD1 3.77Å; Y109-Y391 HydrophobicContact CG-CD1 3.77Å; Y109-Y391 AromaticContact CG-CE1 3.96Å; Y109-Y391 HydrophobicContact CG-CE1 3.96Å; Y109-C394 HydrophobicContact CD1-CB 3.78Å; Y109-C394 HydrophobicContact CE1-CB 3.83Å
110F98.4Very high95.1Very high0 Ų042 Ų420%021%0.206CC..EExtended strand (participates in β ladder)trans-117.6135180-78.3-105.3000111.7C8 V10 I97 L101 P105 H108 L112 M130 V136 G138 L139 Y140C8-F110 HydrophobicContact CB-CD1 3.48Å; C8-F110 VanDerWaalsContact CB-CD1 3.48Å; C8-F110 HydrophobicContact CB-CD2 4.36Å; C8-F110 HydrophobicContact CB-CE1 3.37Å; C8-F110 HydrophobicContact CB-CE2 4.27Å; C8-F110 HydrophobicContact CB-CG 3.99Å; C8-F110 HydrophobicContact CB-CZ 3.81Å; C8-F110 WeakPolarHBondContact O-CA 3.41Å; V10-F110 HydrophobicContact CG2-CD1 4.39Å; I97-F110 HydrophobicContact CD1-CE1 4.32Å; I97-F110 HydrophobicContact CD1-CZ 4.35Å; I97-F110 HydrophobicContact CG1-CE1 4.01Å; I97-F110 HydrophobicContact CG1-CZ 4.14Å; L101-F110 HydrophobicContact CD1-CE1 4.24Å; P105-F110 HydrophobicContact CB-CE2 4.17Å; P105-F110 HydrophobicContact CB-CZ 4.32Å; H108-F110 HydrophobicContact CB-CD2 4.47Å; H108-F110 HydrophobicContact CB-CE2 3.92Å; H108-F110 VanDerWaalsContact O-CD2 3.29Å; H108-F110 WeakPolarHBondContact O-CD2 3.45Å; H108-F110 WeakPolarHBondContact O-CE2 3.45Å; F110-L112 HydrophobicContact CB-CD1 3.91Å; F110-M130 HydrophobicContact CB-CE 4.07Å; F110-M130 HydrophobicContact CD1-CE 3.65Å; F110-M130 HydrophobicContact CD2-CE 4.09Å; F110-M130 HydrophobicContact CE1-CE 4.07Å; F110-M130 HydrophobicContact CE2-CE 4.47Å; F110-M130 HydrophobicContact CG-CE 3.66Å; F110-M130 HydrophobicContact CZ-CE 4.46Å; F110-V136 HydrophobicContact CD2-CB 4.05Å; F110-V136 HydrophobicContact CD2-CG1 3.47Å; F110-V136 VanDerWaalsContact CD2-CG1 3.47Å; F110-V136 HydrophobicContact CE2-CB 4.47Å; F110-V136 HydrophobicContact CE2-CG1 3.59Å; F110-V136 HydrophobicContact CG-CG1 4.3Å; F110-V136 HydrophobicContact CZ-CG1 4.48Å; F110-G138 PolarHBondContact N-O 2.96Å; F110-L139 HydrophobicContact CB-CD1 4.27Å; F110-L139 CarbonylContact O-C 3.49Å; F110-L139 WeakPolarHBondContact O-CA 3.17Å; F110-Y140 PolarHBondContact O-N 2.56Å
111L98Very high95Very high0 Ų044.4 Ų44.40%022%0.218CC..EExtended strand (participates in β ladder)trans-107112.6162.1-171.7156.2000107.9C8 V9 V10 T113 Y140 A142 L147 L384 A385 F390C8-L111 PolarHBondContact O-N 3.18Å; V9-L111 WeakPolarHBondContact CA-O 3.48Å; V9-L111 HydrophobicContact CG1-CD2 4.11Å; V9-L111 HydrophobicContact CG2-CB 4.4Å; V10-L111 PolarHBondContact N-O 2.91Å; L111-T113 HydrophobicContact CD2-CG2 4.05Å; L111-Y140 VanDerWaalsContact CA-O 3.32Å; L111-Y140 WeakPolarHBondContact CA-O 3.46Å; L111-Y140 HydrophobicContact CD1-CD1 3.97Å; L111-Y140 HydrophobicContact CG-CD1 4.1Å; L111-A142 HydrophobicContact CD1-CB 4.3Å; L111-A142 HydrophobicContact CD2-CB 3.86Å; L111-A142 HydrophobicContact CG-CB 4.12Å; L111-L147 HydrophobicContact CD2-CD1 4.1Å; L111-L384 HydrophobicContact CD1-CB 4.41Å; L111-L384 HydrophobicContact CD1-CD2 4.03Å; L111-L384 HydrophobicContact CD1-CG 4.36Å; L111-A385 HydrophobicContact CB-CB 4.42Å; L111-A385 HydrophobicContact CD1-CB 4.12Å; L111-F390 HydrophobicContact CB-CE2 3.91Å; L111-F390 HydrophobicContact CB-CZ 4.12Å; L111-F390 HydrophobicContact CD1-CD2 4.34Å; L111-F390 HydrophobicContact CD1-CE2 3.87Å; L111-F390 HydrophobicContact CG-CE2 4.27Å
112L98Very high94.9Very high14 Ų1444.9 Ų44.97%0.07322%0.221CC..EExtended strand (participates in β ladder)trans-102.6153.6168-72.698.6000109.6V10 M93 F110 T126 M130 L139 Y140 I141 A142V10-L112 HydrophobicContact CB-CG 4.26Å; V10-L112 HydrophobicContact CG1-CD2 4.48Å; V10-L112 WeakPolarHBondContact O-CA 3.25Å; M93-L112 HydrophobicContact CE-CD2 4.26Å; F110-L112 HydrophobicContact CB-CD1 3.91Å; L112-T126 HydrophobicContact CD2-CG2 4.23Å; L112-M130 HydrophobicContact CD1-CE 4.09Å; L112-M130 HydrophobicContact CD1-CG 3.98Å; L112-M130 HydrophobicContact CD1-SD 4.04Å; L112-M130 HydrophobicContact CD2-SD 4.34Å; L112-L139 HydrophobicContact CD1-CD1 3.21Å; L112-L139 HydrophobicContact CG-CD1 4.47Å; L112-Y140 PolarHBondContact N-O 2.81Å; L112-I141 CarbonylContact O-C 3.53Å; L112-I141 WeakPolarHBondContact O-CA 3.29Å; L112-A142 PolarHBondContact O-N 3.28Å
113T95.9Very high94.9Very high16 Ų1636.9 Ų36.910%0.09819%0.19CC..EExtended strand (participates in β ladder)trans-107.9148.4-179.770.90000111.8V10 D11 L111 A142 Q144 L147 V377V10-T113 PolarHBondContact O-N 2.69Å; D11-T113 WeakPolarHBondContact CA-OG1 3.36Å; D11-T113 HydrophobicContact CB-CG2 3.88Å; D11-T113 PolarHBondContact OD1-OG1 3.48Å; D11-T113 VanDerWaalsContact OD1-OG1 3.08Å; L111-T113 HydrophobicContact CD2-CG2 4.05Å; T113-A142 CarbonylContact C-O 3.5Å; T113-A142 VanDerWaalsContact CA-O 3.25Å; T113-A142 WeakPolarHBondContact CA-O 3.4Å; T113-Q144 PolarHBondContact OG1-NE2 3.16Å; T113-L147 HydrophobicContact CG2-CD1 3.8Å; T113-V377 HydrophobicContact CG2-CG1 3.71Å
114E94.1Very high94.9Very high2 Ų238.3 Ų38.31%0.00920%0.196CC..EExtended strand (participates in β ladder)trans-132.9151.9175.366.1173.4177.900113.1N118 R123 I141 A142 V143 Q144E114-N118 HydrophobicContact CB-CB 4.2Å; E114-N118 WeakPolarHBondContact OE2-CB 3.5Å; E114-N118 PolarHBondContact OE2-ND2 3.04Å; E114-R123 VanDerWaalsContact CD-NE 3.29Å; E114-R123 IonicContact OE1-CZ 3.02Å; E114-R123 IonicContact OE1-NE 3.49Å; E114-R123 PolarHBondContact OE1-NE 3.05Å; E114-R123 IonicContact OE1-NH2 3.56Å; E114-R123 PolarHBondContact OE1-NH2 3.26Å; E114-R123 WeakPolarHBondContact OE2-CG 3.49Å; E114-R123 IonicContact OE2-CZ 2.75Å; E114-R123 IonicContact OE2-NE 3.18Å; E114-R123 PolarHBondContact OE2-NE 3.43Å; E114-R123 IonicContact OE2-NH2 2.9Å; E114-R123 PolarHBondContact OE2-NH2 2.92Å; E114-I141 HydrophobicContact CB-CG2 3.86Å; E114-I141 HydrophobicContact CG-CG2 3.71Å; E114-A142 PolarHBondContact N-O 3.03Å; E114-V143 HydrophobicContact CG-CG2 4.37Å; E114-Q144 VanDerWaalsContact O-CG 3.27Å; E114-Q144 WeakPolarHBondContact O-CG 3.48Å; E114-Q144 PolarHBondContact O-N 2.93Å
115P91.8Very high94.9Very high11 Ų1138.7 Ų38.77%0.07119%0.194CC..  trans-69.5159168.932.2-36.8000111.1G81 I82 L117 N118G81-P115 WeakPolarHBondContact O-CG 3.26Å; I82-P115 HydrophobicContact CD1-CG 3.65Å; P115-L117 VanDerWaalsContact C-N 3.26Å; P115-L117 PolarHBondContact O-N 3.41Å; P115-N118 HydrophobicContact CG-CB 4.14Å; P115-N118 WeakPolarHBondContact O-CB 3.38Å; P115-N118 PolarHBondContact O-N 3.31Å
116P85.8Confident94.9Very high22 Ų2239.5 Ų39.514%0.14320%0.199CC..THydrogen-bonded Turntrans-66.3-20.9-173.429.6-40.3000115.3V143 I178 V185 I190P116-V143 HydrophobicContact CB-CG1 4.3Å; P116-I178 HydrophobicContact CB-CG2 4.27Å; P116-I178 HydrophobicContact CG-CD1 3.65Å; P116-I178 HydrophobicContact CG-CG1 4.04Å; P116-I178 HydrophobicContact CG-CG2 4.33Å; P116-V185 HydrophobicContact CB-CG1 4.08Å; P116-I190 HydrophobicContact CB-CD1 3.65Å; P116-I190 HydrophobicContact CG-CD1 3.81Å
117L85.6Confident94.9Very high90 Ų9034.5 Ų34.547%0.47118%0.176SC..THydrogen-bonded Turntrans-110.326.4-179.4-62.3-178.4000112.3P115 I190 H192P115-L117 VanDerWaalsContact C-N 3.26Å; P115-L117 PolarHBondContact O-N 3.41Å; L117-I190 HydrophobicContact CD1-CG2 4.48Å; L117-I190 HydrophobicContact CD2-CD1 3.9Å; L117-I190 HydrophobicContact CG-CD1 4.01Å; L117-H192 VanDerWaalsContact CD1-NE2 3.28Å; L117-H192 WeakPolarHBondContact CD1-NE2 3.36Å
118N91.6Very high95Very high22 Ų2232.9 Ų32.912%0.11817%0.165CC..  trans-63.5140.4173.9-16430.8000110.7E114 P115 N122E114-N118 HydrophobicContact CB-CB 4.2Å; E114-N118 WeakPolarHBondContact OE2-CB 3.5Å; E114-N118 PolarHBondContact OE2-ND2 3.04Å; P115-N118 HydrophobicContact CG-CB 4.14Å; P115-N118 WeakPolarHBondContact O-CB 3.38Å; P115-N118 PolarHBondContact O-N 3.31Å; N118-N122 WeakPolarHBondContact OD1-CB 3.16Å; N118-N122 PolarHBondContact OD1-ND2 3.28Å
119T92.2Very high95Very high59 Ų5933 Ų3336%0.36217%0.166SC..  trans-73.4149.6-179.860.90000110.6E121 N122 R123T119-E121 PolarHBondContact O-N 3.38Å; T119-N122 WeakPolarHBondContact O-CB 3.36Å; T119-N122 PolarHBondContact O-N 3.43Å; T119-N122 VanDerWaalsContact O-N 3.16Å; T119-N122 WeakPolarHBondContact OG1-CB 3.32Å; T119-N122 PolarHBondContact OG1-N 3.32Å; T119-N122 PolarHBondContact OG1-ND2 3.04Å; T119-N122 PolarHBondContact OG1-OD1 3.25Å; T119-R123 PolarHBondContact O-N 2.82Å
120P93.2Very high95Very high51 Ų5131.5 Ų31.533%0.33116%0.16SC..Hα-helixtrans-55.4-37.3172.3-25.534.9000112.8N122 R123 E124 R409P120-N122 VanDerWaalsContact C-N 3.34Å; P120-N122 PolarHBondContact O-N 3.02Å; P120-R123 WeakPolarHBondContact O-CB 3.42Å; P120-R123 PolarHBondContact O-N 3.26Å; P120-R123 VanDerWaalsContact O-N 3.12Å; P120-E124 PolarHBondContact O-N 3.26Å; P120-E124 VanDerWaalsContact O-N 3.13Å; P120-R409 HydrophobicContact CB-CB 4.24Å; P120-R409 HydrophobicContact CB-CG 3.74Å
121E95.3Very high95Very high78 Ų7831.7 Ų31.736%0.36416%0.161SC..Hα-helixtrans-63.2-39.4178.4-65.265.1-14100111.4T119 R123 E124 Y125 R409T119-E121 PolarHBondContact O-N 3.38Å; E121-R123 VanDerWaalsContact C-N 3.25Å; E121-R123 PolarHBondContact O-N 3.26Å; E121-E124 WeakPolarHBondContact O-CB 3.41Å; E121-E124 PolarHBondContact O-N 2.88Å; E121-E124 VanDerWaalsContact O-N 3.1Å; E121-Y125 HydrophobicContact CB-CE2 4.36Å; E121-Y125 WeakPolarHBondContact O-CD2 3.49Å; E121-Y125 PolarHBondContact O-N 3.44Å; E121-R409 IonicContact OE1-CZ 3.05Å; E121-R409 IonicContact OE1-NH1 3.15Å; E121-R409 PolarHBondContact OE1-NH1 3.37Å; E121-R409 IonicContact OE1-NH2 3.51Å; E121-R409 PolarHBondContact OE1-NH2 3.41Å
122N96Very high95Very high17 Ų1737.5 Ų37.59%0.09119%0.188CC..Hα-helixtrans-63.8-32.1174.7-76.2-2.1000112.7I82 W86 N118 T119 P120 T126I82-N122 WeakPolarHBondContact CG2-ND2 3.38Å; W86-N122 HydrophobicContact CH2-CB 4.27Å; W86-N122 WeakPolarHBondContact CH2-O 3.44Å; W86-N122 HydrophobicContact CZ2-CB 3.64Å; W86-N122 WeakPolarHBondContact CZ2-O 3.47Å; N118-N122 WeakPolarHBondContact OD1-CB 3.16Å; N118-N122 PolarHBondContact OD1-ND2 3.28Å; T119-N122 WeakPolarHBondContact O-CB 3.36Å; T119-N122 PolarHBondContact O-N 3.43Å; T119-N122 VanDerWaalsContact O-N 3.16Å; T119-N122 WeakPolarHBondContact OG1-CB 3.32Å; T119-N122 PolarHBondContact OG1-N 3.32Å; T119-N122 PolarHBondContact OG1-ND2 3.04Å; T119-N122 PolarHBondContact OG1-OD1 3.25Å; P120-N122 VanDerWaalsContact C-N 3.34Å; P120-N122 PolarHBondContact O-N 3.02Å; N122-T126 WeakPolarHBondContact O-CB 3.43Å; N122-T126 PolarHBondContact O-N 3.44Å; N122-T126 PolarHBondContact O-OG1 3.04Å
123R95.8Very high95Very high38 Ų3839.8 Ų39.814%0.14321%0.205CC..Hα-helixtrans-69.3-36.5173.7-61.7179.6177.9158.8-1.1111.4E114 T119 P120 E121 T126 A127 I141 C408 R409E114-R123 VanDerWaalsContact CD-NE 3.29Å; E114-R123 IonicContact OE1-CZ 3.02Å; E114-R123 IonicContact OE1-NE 3.49Å; E114-R123 PolarHBondContact OE1-NE 3.05Å; E114-R123 IonicContact OE1-NH2 3.56Å; E114-R123 PolarHBondContact OE1-NH2 3.26Å; E114-R123 WeakPolarHBondContact OE2-CG 3.49Å; E114-R123 IonicContact OE2-CZ 2.75Å; E114-R123 IonicContact OE2-NE 3.18Å; E114-R123 PolarHBondContact OE2-NE 3.43Å; E114-R123 IonicContact OE2-NH2 2.9Å; E114-R123 PolarHBondContact OE2-NH2 2.92Å; T119-R123 PolarHBondContact O-N 2.82Å; P120-R123 WeakPolarHBondContact O-CB 3.42Å; P120-R123 PolarHBondContact O-N 3.26Å; P120-R123 VanDerWaalsContact O-N 3.12Å; E121-R123 VanDerWaalsContact C-N 3.25Å; E121-R123 PolarHBondContact O-N 3.26Å; R123-T126 PolarHBondContact O-N 3.45Å; R123-A127 WeakPolarHBondContact O-CB 3.34Å; R123-A127 PolarHBondContact O-N 3.33Å; R123-I141 HydrophobicContact CB-CD1 4.09Å; R123-I141 HydrophobicContact CG-CD1 4.4Å; R123-C408 HydrophobicContact CB-CB 4.45Å; R123-C408 VanDerWaalsContact CD-O 3.22Å; R123-C408 WeakPolarHBondContact CD-O 3.25Å; R123-R409 PolarHBondContact NH1-O 2.96Å
124E97.2Very high95.1Very high34 Ų3439.7 Ų39.716%0.15920%0.203CC..Hα-helixtrans-64.2-49.5173.8-66.2-172.8155.900111.3P120 E121 T126 A127 E128 P405 S406 R409P120-E124 PolarHBondContact O-N 3.26Å; P120-E124 VanDerWaalsContact O-N 3.13Å; E121-E124 WeakPolarHBondContact O-CB 3.41Å; E121-E124 PolarHBondContact O-N 2.88Å; E121-E124 VanDerWaalsContact O-N 3.1Å; E124-T126 VanDerWaalsContact C-N 3.28Å; E124-T126 PolarHBondContact O-N 3.46Å; E124-A127 CarbonylContact O-C 3.55Å; E124-A127 WeakPolarHBondContact O-CA 3.45Å; E124-A127 WeakPolarHBondContact O-CB 3.49Å; E124-A127 PolarHBondContact O-N 3.3Å; E124-E128 WeakPolarHBondContact O-CG 3.24Å; E124-E128 PolarHBondContact O-N 3.25Å; E124-P405 HydrophobicContact CB-CB 3.65Å; E124-P405 HydrophobicContact CG-CB 3.8Å; E124-S406 WeakPolarHBondContact OE1-CA 3.46Å; E124-S406 WeakPolarHBondContact OE1-CB 3.33Å; E124-S406 PolarHBondContact OE1-N 3.32Å; E124-R409 VanDerWaalsContact CD-NE 3.28Å; E124-R409 HydrophobicContact CG-CG 4.11Å; E124-R409 IonicContact OE1-CZ 2.76Å; E124-R409 VanDerWaalsContact OE1-CZ 3.23Å; E124-R409 IonicContact OE1-NE 3.01Å; E124-R409 PolarHBondContact OE1-NE 3.17Å; E124-R409 IonicContact OE1-NH2 3.23Å; E124-R409 PolarHBondContact OE1-NH2 2.94Å; E124-R409 IonicContact OE2-CZ 2.67Å; E124-R409 IonicContact OE2-NE 2.74Å; E124-R409 IonicContact OE2-NH2 3.61Å; E124-R409 PolarHBondContact OE2-NH2 2.77Å
125Y97.6Very high95.3Very high107 Ų10741.8 Ų41.842%0.4222%0.215SC..Hα-helixtrans-59.6-38.4176.3-67.5-52.9000112.7W86 E121 A127 E128 I129W86-Y125 AromaticContact CD1-CD2 3.9Å; W86-Y125 HydrophobicContact CD2-CD2 4.34Å; W86-Y125 HydrophobicContact CD2-CG 4.13Å; W86-Y125 AromaticContact CE2-CD2 3.82Å; W86-Y125 HydrophobicContact CG-CD2 4.41Å; W86-Y125 HydrophobicContact CG-CG 4.26Å; W86-Y125 HydrophobicContact CZ2-CD2 4.33Å; W86-Y125 AromaticContact NE1-CD2 3.5Å; E121-Y125 HydrophobicContact CB-CE2 4.36Å; E121-Y125 WeakPolarHBondContact O-CD2 3.49Å; E121-Y125 PolarHBondContact O-N 3.44Å; Y125-A127 VanDerWaalsContact C-N 3.32Å; Y125-A127 PolarHBondContact O-N 3.39Å; Y125-E128 WeakPolarHBondContact CD1-OE2 3.36Å; Y125-E128 PolarHBondContact O-N 3.07Å; Y125-I129 WeakPolarHBondContact O-CG1 3.39Å; Y125-I129 PolarHBondContact O-N 3.2Å; Y125-I129 VanDerWaalsContact O-N 3.07Å
126T97.4Very high95.6Very high20 Ų2041.3 Ų41.312%0.12321%0.211CC..Hα-helixtrans-60.9-43.7172.5-56.70000110.9W86 L112 N122 R123 E124 M130 I141W86-T126 WeakPolarHBondContact CH2-OG1 3.28Å; W86-T126 WeakPolarHBondContact CZ3-OG1 3.3Å; L112-T126 HydrophobicContact CD2-CG2 4.23Å; N122-T126 WeakPolarHBondContact O-CB 3.43Å; N122-T126 PolarHBondContact O-N 3.44Å; N122-T126 PolarHBondContact O-OG1 3.04Å; R123-T126 PolarHBondContact O-N 3.45Å; E124-T126 VanDerWaalsContact C-N 3.28Å; E124-T126 PolarHBondContact O-N 3.46Å; T126-M130 HydrophobicContact CG2-CG 4.39Å; T126-M130 WeakPolarHBondContact O-CB 3.44Å; T126-M130 WeakPolarHBondContact O-CG 3.32Å; T126-M130 PolarHBondContact O-N 2.84Å; T126-I141 HydrophobicContact CG2-CD1 4Å; T126-I141 HydrophobicContact CG2-CG1 4.44Å
127A97.3Very high96.2Very high0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-66-43.9179.600000111.9R123 E124 Y125 M130 F131 L139 Y400 C408R123-A127 WeakPolarHBondContact O-CB 3.34Å; R123-A127 PolarHBondContact O-N 3.33Å; E124-A127 CarbonylContact O-C 3.55Å; E124-A127 WeakPolarHBondContact O-CA 3.45Å; E124-A127 WeakPolarHBondContact O-CB 3.49Å; E124-A127 PolarHBondContact O-N 3.3Å; Y125-A127 VanDerWaalsContact C-N 3.32Å; Y125-A127 PolarHBondContact O-N 3.39Å; A127-M130 PolarHBondContact O-N 2.77Å; A127-F131 HydrophobicContact CB-CD2 4.16Å; A127-F131 WeakPolarHBondContact O-CB 3.04Å; A127-F131 WeakPolarHBondContact O-CD2 3.49Å; A127-F131 PolarHBondContact O-N 3Å; A127-L139 HydrophobicContact CB-CD2 4.34Å; A127-Y400 HydrophobicContact CB-CD2 4.25Å; A127-Y400 HydrophobicContact CB-CE2 3.83Å; A127-C408 HydrophobicContact CB-CB 3.87Å; A127-C408 WeakPolarHBondContact CB-SG 3.44Å
128E98Very high96.7Very high65 Ų6537.6 Ų37.630%0.30419%0.193SC..Hα-helixtrans-56.1-52.1175.7-72.1172.7172.900110.7E124 Y125 M130 E132 Y400 P405E124-E128 WeakPolarHBondContact O-CG 3.24Å; E124-E128 PolarHBondContact O-N 3.25Å; Y125-E128 WeakPolarHBondContact CD1-OE2 3.36Å; Y125-E128 PolarHBondContact O-N 3.07Å; E128-M130 PolarHBondContact O-N 3.08Å; E128-E132 WeakPolarHBondContact O-CA 3.38Å; E128-E132 WeakPolarHBondContact O-CB 3.5Å; E128-E132 WeakPolarHBondContact O-CG 3.5Å; E128-E132 PolarHBondContact O-N 3.08Å; E128-Y400 WeakPolarHBondContact CA-OH 3.27Å; E128-Y400 WeakPolarHBondContact CG-OH 3.43Å; E128-P405 HydrophobicContact CG-CB 4.19Å; E128-P405 HydrophobicContact CG-CG 3.74Å
129I98.2Very high97Very high15 Ų1536.5 Ų36.58%0.07719%0.187CC..Iπ-helixtrans-57.6-48.4177.6-71.7170.6000111.4W86 E90 Y125 S133 F134W86-I129 HydrophobicContact CE3-CD1 3.62Å; W86-I129 HydrophobicContact CZ3-CD1 4.19Å; E90-I129 HydrophobicContact CB-CD1 3.91Å; E90-I129 HydrophobicContact CB-CG1 4.12Å; E90-I129 HydrophobicContact CB-CG2 4.4Å; E90-I129 HydrophobicContact CG-CG1 4.24Å; E90-I129 HydrophobicContact CG-CG2 4.15Å; Y125-I129 WeakPolarHBondContact O-CG1 3.39Å; Y125-I129 PolarHBondContact O-N 3.2Å; Y125-I129 VanDerWaalsContact O-N 3.07Å; I129-S133 VanDerWaalsContact O-CB 3.24Å; I129-S133 WeakPolarHBondContact O-CB 3.45Å; I129-S133 PolarHBondContact O-N 3.34Å; I129-F134 HydrophobicContact CG2-CD2 3.82Å; I129-F134 HydrophobicContact CG2-CE2 3.44Å; I129-F134 VanDerWaalsContact CG2-CE2 3.44Å; I129-F134 VanDerWaalsContact O-CD2 3.26Å; I129-F134 WeakPolarHBondContact O-CD2 3.43Å; I129-F134 PolarHBondContact O-N 3.33Å; I129-F134 VanDerWaalsContact O-N 3.16Å
130M98.6Very high97.2Very high1 Ų134.4 Ų34.41%0.00517%0.172CC..Iπ-helixtrans-73.5-42.1-173.3-64.7-57.2-53.500112.7M93 I97 F110 L112 T126 A127 E128 F134 N135 V136 L139M93-M130 HydrophobicContact CE-SD 3.98Å; I97-M130 HydrophobicContact CD1-CE 4.22Å; F110-M130 HydrophobicContact CB-CE 4.07Å; F110-M130 HydrophobicContact CD1-CE 3.65Å; F110-M130 HydrophobicContact CD2-CE 4.09Å; F110-M130 HydrophobicContact CE1-CE 4.07Å; F110-M130 HydrophobicContact CE2-CE 4.47Å; F110-M130 HydrophobicContact CG-CE 3.66Å; F110-M130 HydrophobicContact CZ-CE 4.46Å; L112-M130 HydrophobicContact CD1-CE 4.09Å; L112-M130 HydrophobicContact CD1-CG 3.98Å; L112-M130 HydrophobicContact CD1-SD 4.04Å; L112-M130 HydrophobicContact CD2-SD 4.34Å; T126-M130 HydrophobicContact CG2-CG 4.39Å; T126-M130 WeakPolarHBondContact O-CB 3.44Å; T126-M130 WeakPolarHBondContact O-CG 3.32Å; T126-M130 PolarHBondContact O-N 2.84Å; A127-M130 PolarHBondContact O-N 2.77Å; E128-M130 PolarHBondContact O-N 3.08Å; M130-F134 CarbonylContact O-C 3.51Å; M130-F134 HydrophobicContact SD-CD2 4.08Å; M130-N135 PolarHBondContact O-N 3.3Å; M130-N135 VanDerWaalsContact O-N 3.14Å; M130-V136 HydrophobicContact CB-CG2 3.96Å; M130-V136 HydrophobicContact CE-CG1 3.66Å; M130-V136 WeakPolarHBondContact O-CG1 3.48Å; M130-V136 WeakPolarHBondContact O-CG2 3.43Å; M130-V136 PolarHBondContact O-N 2.81Å; M130-V136 VanDerWaalsContact O-N 3.1Å; M130-L139 HydrophobicContact CB-CD2 4.11Å; M130-L139 HydrophobicContact CG-CD1 4.36Å; M130-L139 HydrophobicContact CG-CD2 4.35Å
131F98.4Very high97.3Very high3 Ų332.5 Ų32.51%0.01316%0.159CC..Iπ-helixtrans-86.5-37.8-177.3-73.8-64000113.7A127 N135 V136 L139 H395 K397 Y400A127-F131 HydrophobicContact CB-CD2 4.16Å; A127-F131 WeakPolarHBondContact O-CB 3.04Å; A127-F131 WeakPolarHBondContact O-CD2 3.49Å; A127-F131 PolarHBondContact O-N 3Å; F131-N135 VanDerWaalsContact O-CA 3.24Å; F131-N135 WeakPolarHBondContact O-CA 3.16Å; F131-N135 PolarHBondContact O-N 3.28Å; F131-V136 HydrophobicContact CD1-CG2 3.8Å; F131-V136 WeakPolarHBondContact CD1-O 3.45Å; F131-V136 HydrophobicContact CE1-CG2 3.87Å; F131-V136 WeakPolarHBondContact CE1-O 3.38Å; F131-V136 HydrophobicContact CG-CG2 4.4Å; F131-L139 HydrophobicContact CD2-CD2 4.38Å; F131-L139 HydrophobicContact CE1-CB 4.33Å; F131-L139 HydrophobicContact CE2-CB 3.71Å; F131-L139 HydrophobicContact CE2-CD2 3.9Å; F131-L139 HydrophobicContact CE2-CG 4.43Å; F131-L139 HydrophobicContact CZ-CB 3.51Å; F131-H395 HydrophobicContact CZ-CB 4.42Å; F131-H395 WeakPolarHBondContact CZ-O 3.33Å; F131-K397 HydrophobicContact CD1-CB 3.99Å; F131-K397 HydrophobicContact CD1-CG 4.04Å; F131-K397 HydrophobicContact CE1-CB 4.04Å; F131-Y400 HydrophobicContact CB-CD1 3.73Å; F131-Y400 HydrophobicContact CB-CD2 4.19Å; F131-Y400 HydrophobicContact CB-CE1 3.83Å; F131-Y400 HydrophobicContact CB-CE2 4.22Å; F131-Y400 HydrophobicContact CB-CG 3.94Å; F131-Y400 HydrophobicContact CD2-CD1 4.27Å; F131-Y400 AromaticContact CD2-CD2 3.33Å; F131-Y400 HydrophobicContact CD2-CD2 3.33Å; F131-Y400 AromaticContact CD2-CE2 3.83Å; F131-Y400 HydrophobicContact CD2-CE2 3.83Å; F131-Y400 AromaticContact CD2-CG 3.57Å; F131-Y400 HydrophobicContact CD2-CG 3.57Å; F131-Y400 AromaticContact CE2-CD2 3.9Å; F131-Y400 HydrophobicContact CE2-CD2 3.9Å; F131-Y400 HydrophobicContact CE2-CG 4.15Å; F131-Y400 HydrophobicContact CG-CD1 4.07Å; F131-Y400 AromaticContact CG-CD2 3.97Å; F131-Y400 HydrophobicContact CG-CD2 3.97Å; F131-Y400 HydrophobicContact CG-CE2 4.41Å; F131-Y400 AromaticContact CG-CG 3.77Å; F131-Y400 HydrophobicContact CG-CG 3.77Å
132E98.1Very high97.3Very high123 Ų12328.8 Ų28.858%0.57514%0.142SC*.Iπ-helixtrans-88.8-46.9-176-54.1-172.5-178.500111.5E128 Y400E128-E132 WeakPolarHBondContact O-CA 3.38Å; E128-E132 WeakPolarHBondContact O-CB 3.5Å; E128-E132 WeakPolarHBondContact O-CG 3.5Å; E128-E132 PolarHBondContact O-N 3.08Å; E132-Y400 VanDerWaalsContact CD-OH 3.3Å; E132-Y400 HydrophobicContact CG-CE1 3.86Å; E132-Y400 WeakPolarHBondContact CG-OH 3.42Å; E132-Y400 PolarHBondContact OE1-OH 3.2Å
133S97.4Very high97.1Very high61 Ų6129 Ų2943%0.42714%0.144SC..Iπ-helixtrans-81.9-41.1-177.6-49.10000112.6E90 I129E90-S133 WeakPolarHBondContact OE1-CB 3.38Å; E90-S133 PolarHBondContact OE1-OG 3.37Å; I129-S133 VanDerWaalsContact O-CB 3.24Å; I129-S133 WeakPolarHBondContact O-CB 3.45Å; I129-S133 PolarHBondContact O-N 3.34Å
134F98Very high97.1Very high14 Ų1427.9 Ų27.96%0.06114%0.14CC..SBendtrans-105.1-3.4-177.6-58.3-57.6000114.6M93 E94 I97 F98 P105 I129 M130 V136M93-F134 HydrophobicContact CB-CE2 3.64Å; M93-F134 HydrophobicContact CB-CZ 4.01Å; E94-F134 HydrophobicContact CB-CE1 4.08Å; E94-F134 HydrophobicContact CB-CZ 4.02Å; E94-F134 HydrophobicContact CG-CE1 4.43Å; I97-F134 HydrophobicContact CD1-CB 4.16Å; I97-F134 HydrophobicContact CD1-CD1 3.9Å; I97-F134 HydrophobicContact CD1-CD2 3.63Å; I97-F134 HydrophobicContact CD1-CE1 4.21Å; I97-F134 HydrophobicContact CD1-CE2 3.94Å; I97-F134 HydrophobicContact CD1-CG 3.61Å; I97-F134 HydrophobicContact CD1-CZ 4.24Å; F98-F134 HydrophobicContact CE2-CD1 4.05Å; F98-F134 AromaticContact CE2-CE1 3.96Å; F98-F134 HydrophobicContact CE2-CE1 3.96Å; F98-F134 HydrophobicContact CZ-CD1 4.37Å; P105-F134 HydrophobicContact CB-CB 4.06Å; P105-F134 VanDerWaalsContact CB-O 3.3Å; P105-F134 WeakPolarHBondContact CB-O 3.4Å; P105-F134 HydrophobicContact CG-CB 4.21Å; P105-F134 VanDerWaalsContact CG-O 3.28Å; P105-F134 WeakPolarHBondContact CG-O 3.35Å; I129-F134 HydrophobicContact CG2-CD2 3.82Å; I129-F134 HydrophobicContact CG2-CE2 3.44Å; I129-F134 VanDerWaalsContact CG2-CE2 3.44Å; I129-F134 VanDerWaalsContact O-CD2 3.26Å; I129-F134 WeakPolarHBondContact O-CD2 3.43Å; I129-F134 PolarHBondContact O-N 3.33Å; I129-F134 VanDerWaalsContact O-N 3.16Å; M130-F134 CarbonylContact O-C 3.51Å; M130-F134 HydrophobicContact SD-CD2 4.08Å; F134-V136 HydrophobicContact CB-CG1 4.25Å; F134-V136 PolarHBondContact O-N 3.1Å; F134-V136 VanDerWaalsContact O-N 3.13Å
135N97.8Very high96.9Very high47 Ų4726.3 Ų26.325%0.25113%0.133SC..  trans56.132.9171.5-158.963.3000114.5E106 M130 F131 K397E106-N135 HydrophobicContact CG-CB 4.02Å; E106-N135 PolarHBondContact OE1-ND2 3.45Å; M130-N135 PolarHBondContact O-N 3.3Å; M130-N135 VanDerWaalsContact O-N 3.14Å; F131-N135 VanDerWaalsContact O-CA 3.24Å; F131-N135 WeakPolarHBondContact O-CA 3.16Å; F131-N135 PolarHBondContact O-N 3.28Å; N135-K397 WeakPolarHBondContact OD1-CE 3.39Å; N135-K397 PolarHBondContact OD1-NZ 3.06Å
136V98.4Very high96.7Very high0 Ų022.3 Ų22.30%012%0.12CC..  trans-64.9142.8-176.3-58.70000111.7P105 F110 M130 F131 F134 G138 L139P105-V136 HydrophobicContact CB-CG1 3.99Å; F110-V136 HydrophobicContact CD2-CB 4.05Å; F110-V136 HydrophobicContact CD2-CG1 3.47Å; F110-V136 VanDerWaalsContact CD2-CG1 3.47Å; F110-V136 HydrophobicContact CE2-CB 4.47Å; F110-V136 HydrophobicContact CE2-CG1 3.59Å; F110-V136 HydrophobicContact CG-CG1 4.3Å; F110-V136 HydrophobicContact CZ-CG1 4.48Å; M130-V136 HydrophobicContact CB-CG2 3.96Å; M130-V136 HydrophobicContact CE-CG1 3.66Å; M130-V136 WeakPolarHBondContact O-CG1 3.48Å; M130-V136 WeakPolarHBondContact O-CG2 3.43Å; M130-V136 PolarHBondContact O-N 2.81Å; M130-V136 VanDerWaalsContact O-N 3.1Å; F131-V136 HydrophobicContact CD1-CG2 3.8Å; F131-V136 WeakPolarHBondContact CD1-O 3.45Å; F131-V136 HydrophobicContact CE1-CG2 3.87Å; F131-V136 WeakPolarHBondContact CE1-O 3.38Å; F131-V136 HydrophobicContact CG-CG2 4.4Å; F134-V136 HydrophobicContact CB-CG1 4.25Å; F134-V136 PolarHBondContact O-N 3.1Å; F134-V136 VanDerWaalsContact O-N 3.13Å; V136-G138 VanDerWaalsContact C-N 3.33Å; V136-G138 PolarHBondContact O-N 2.94Å; V136-L139 HydrophobicContact CG2-CB 4.48Å
137P97.6Very high96.6Very high34 Ų3421.6 Ų21.622%0.22112%0.115CC..SBendtrans-73.1-24-179.728.9-37.6000113.5P105 E106 H108 Y109 K397P105-P137 VanDerWaalsContact O-CD 3.28Å; P105-P137 WeakPolarHBondContact O-CD 3.35Å; E106-P137 WeakPolarHBondContact O-CD 3.35Å; E106-P137 WeakPolarHBondContact O-CG 3.39Å; H108-P137 VanDerWaalsContact O-CD 3.23Å; H108-P137 WeakPolarHBondContact O-CD 3.32Å; H108-P137 WeakPolarHBondContact O-CG 3.38Å; Y109-P137 HydrophobicContact CD2-CB 4.24Å; Y109-P137 HydrophobicContact CD2-CG 3.71Å; Y109-P137 HydrophobicContact CE2-CB 3.8Å; Y109-P137 HydrophobicContact CE2-CG 3.8Å; P137-K397 PolarHBondContact O-N 3.37Å
138G96.9Very high96.5Very high0 Ų021.6 Ų21.60%012%0.115CC..EExtended strand (participates in β ladder)trans-165.6144.8177.700000113.8Y109 F110 V136 H395Y109-G138 WeakPolarHBondContact CA-O 3.4Å; F110-G138 PolarHBondContact N-O 2.96Å; V136-G138 VanDerWaalsContact C-N 3.33Å; V136-G138 PolarHBondContact O-N 2.94Å; G138-H395 CarbonylContact C-O 3.57Å; G138-H395 WeakPolarHBondContact CA-O 3.38Å
139L97.5Very high96.3Very high0 Ų018.5 Ų18.50%010%0.101CC..EExtended strand (participates in β ladder)trans-131.3135.7-173.7175.262000110.6F110 L112 A127 M130 F131 V136 I141 C394 H395F110-L139 HydrophobicContact CB-CD1 4.27Å; F110-L139 CarbonylContact O-C 3.49Å; F110-L139 WeakPolarHBondContact O-CA 3.17Å; L112-L139 HydrophobicContact CD1-CD1 3.21Å; L112-L139 HydrophobicContact CG-CD1 4.47Å; A127-L139 HydrophobicContact CB-CD2 4.34Å; M130-L139 HydrophobicContact CB-CD2 4.11Å; M130-L139 HydrophobicContact CG-CD1 4.36Å; M130-L139 HydrophobicContact CG-CD2 4.35Å; F131-L139 HydrophobicContact CD2-CD2 4.38Å; F131-L139 HydrophobicContact CE1-CB 4.33Å; F131-L139 HydrophobicContact CE2-CB 3.71Å; F131-L139 HydrophobicContact CE2-CD2 3.9Å; F131-L139 HydrophobicContact CE2-CG 4.43Å; F131-L139 HydrophobicContact CZ-CB 3.51Å; V136-L139 HydrophobicContact CG2-CB 4.48Å; L139-I141 HydrophobicContact CD1-CG1 4.32Å; L139-I141 HydrophobicContact CD2-CD1 4.25Å; L139-I141 HydrophobicContact CD2-CG1 4.17Å; L139-I141 HydrophobicContact CG-CG1 4.13Å; L139-C394 WeakPolarHBondContact O-CA 3.24Å; L139-H395 PolarHBondContact N-O 3.03Å; L139-H395 PolarHBondContact O-N 3.06Å
140Y96.3Very high96Very high14 Ų1417.8 Ų17.86%0.05510%0.097CC..EExtended strand (participates in β ladder)trans-126.4125.7165.3-173-110000109.8F110 L111 L112 A142 L384 F390 V393 N411 P412F110-Y140 PolarHBondContact O-N 2.56Å; L111-Y140 VanDerWaalsContact CA-O 3.32Å; L111-Y140 WeakPolarHBondContact CA-O 3.46Å; L111-Y140 HydrophobicContact CD1-CD1 3.97Å; L111-Y140 HydrophobicContact CG-CD1 4.1Å; L112-Y140 PolarHBondContact N-O 2.81Å; Y140-A142 HydrophobicContact CD1-CB 3.79Å; Y140-A142 HydrophobicContact CE1-CB 3.56Å; Y140-L384 HydrophobicContact CD1-CD2 4.26Å; Y140-L384 HydrophobicContact CE1-CD2 3.69Å; Y140-F390 HydrophobicContact CD1-CE2 4.28Å; Y140-F390 HydrophobicContact CG-CE2 4.23Å; Y140-V393 HydrophobicContact CD2-CG2 4.01Å; Y140-V393 HydrophobicContact CE2-CG2 3.92Å; Y140-N411 WeakPolarHBondContact CE2-OD1 3.28Å; Y140-N411 PolarHBondContact OH-OD1 2.77Å; Y140-P412 HydrophobicContact CE2-CG 4.07Å; Y140-P412 PolarHBondContact OH-O 3.08Å
141I95.8Very high95.8Very high11 Ų1117.8 Ų17.86%0.05610%0.097CC..EExtended strand (participates in β ladder)trans-101.1106.4176.1-56.6176.4000106.9L112 E114 R123 T126 L139 C408 N411L112-I141 CarbonylContact O-C 3.53Å; L112-I141 WeakPolarHBondContact O-CA 3.29Å; E114-I141 HydrophobicContact CB-CG2 3.86Å; E114-I141 HydrophobicContact CG-CG2 3.71Å; R123-I141 HydrophobicContact CB-CD1 4.09Å; R123-I141 HydrophobicContact CG-CD1 4.4Å; T126-I141 HydrophobicContact CG2-CD1 4Å; T126-I141 HydrophobicContact CG2-CG1 4.44Å; L139-I141 HydrophobicContact CD1-CG1 4.32Å; L139-I141 HydrophobicContact CD2-CD1 4.25Å; L139-I141 HydrophobicContact CD2-CG1 4.17Å; L139-I141 HydrophobicContact CG-CG1 4.13Å; I141-C408 HydrophobicContact CD1-CB 4.25Å; I141-N411 PolarHBondContact O-ND2 3.14Å; I141-N411 PolarHBondContact O-OD1 2.87Å
142A94.4Very high95.4Very high1 Ų117.6 Ų17.61%0.00810%0.096CC..EExtended strand (participates in β ladder)trans-99.8138.7-171.700000112.4L111 L112 T113 E114 Y140 Q144 L147L111-A142 HydrophobicContact CD1-CB 4.3Å; L111-A142 HydrophobicContact CD2-CB 3.86Å; L111-A142 HydrophobicContact CG-CB 4.12Å; L112-A142 PolarHBondContact O-N 3.28Å; T113-A142 CarbonylContact C-O 3.5Å; T113-A142 VanDerWaalsContact CA-O 3.25Å; T113-A142 WeakPolarHBondContact CA-O 3.4Å; E114-A142 PolarHBondContact N-O 3.03Å; Y140-A142 HydrophobicContact CD1-CB 3.79Å; Y140-A142 HydrophobicContact CE1-CB 3.56Å; A142-Q144 PolarHBondContact O-N 2.84Å; A142-L147 HydrophobicContact CB-CD1 3.66Å; A142-L147 HydrophobicContact CB-CD2 4.03Å; A142-L147 HydrophobicContact CB-CG 3.98Å
143V93.2Very high95Very high20 Ų2012.9 Ų12.912%0.1217%0.073CC..EExtended strand (participates in β ladder)trans-74124.1176.3-177.60000110.7E114 P116 A145 V146 L147 V185E114-V143 HydrophobicContact CG-CG2 4.37Å; P116-V143 HydrophobicContact CB-CG1 4.3Å; V143-A145 VanDerWaalsContact C-N 3.3Å; V143-A145 HydrophobicContact CG1-CB 4.45Å; V143-A145 PolarHBondContact O-N 2.91Å; V143-V146 HydrophobicContact CB-CG2 4.16Å; V143-V146 HydrophobicContact CG1-CG2 4.44Å; V143-V146 PolarHBondContact O-N 3.36Å; V143-V146 VanDerWaalsContact O-N 3.07Å; V143-L147 PolarHBondContact O-N 2.81Å; V143-V185 HydrophobicContact CG1-CG2 4.02Å
144Q94.8Very high94.4Very high16 Ų1612.9 Ų12.98%0.0757%0.071CC..Hα-helixtrans-52.7-42.9-175.3-71.7173.9-27.500113.5D11 T113 E114 A142 V146 L147 A148 V377D11-Q144 PolarHBondContact OD1-NE2 2.9Å; T113-Q144 PolarHBondContact OG1-NE2 3.16Å; E114-Q144 VanDerWaalsContact O-CG 3.27Å; E114-Q144 WeakPolarHBondContact O-CG 3.48Å; E114-Q144 PolarHBondContact O-N 2.93Å; A142-Q144 PolarHBondContact O-N 2.84Å; Q144-V146 PolarHBondContact O-N 3.14Å; Q144-L147 PolarHBondContact O-N 3.47Å; Q144-A148 PolarHBondContact O-N 3.06Å; Q144-V377 HydrophobicContact CB-CG1 4.01Å; Q144-V377 HydrophobicContact CB-CG2 3.94Å; Q144-V377 HydrophobicContact CG-CG1 3.72Å; Q144-V377 HydrophobicContact CG-CG2 4.36Å
145A94.2Very high93.6Very high0 Ų012.9 Ų12.90%07%0.073CC..Hα-helixtrans-61.9-42.1179.500000113.1V143 L147 A148 L149 V167 I178 V180V143-A145 VanDerWaalsContact C-N 3.3Å; V143-A145 HydrophobicContact CG1-CB 4.45Å; V143-A145 PolarHBondContact O-N 2.91Å; A145-L147 VanDerWaalsContact C-N 3.31Å; A145-L147 PolarHBondContact O-N 2.8Å; A145-A148 PolarHBondContact O-N 2.89Å; A145-L149 PolarHBondContact O-N 3.42Å; A145-V167 HydrophobicContact CB-CB 4.07Å; A145-V167 HydrophobicContact CB-CG1 4.35Å; A145-V167 HydrophobicContact CB-CG2 4.03Å; A145-V167 WeakPolarHBondContact O-CG2 3.42Å; A145-I178 HydrophobicContact CB-CB 3.99Å; A145-I178 HydrophobicContact CB-CD1 3.78Å; A145-I178 HydrophobicContact CB-CG1 4.5Å; A145-I178 HydrophobicContact CB-CG2 3.66Å; A145-V180 HydrophobicContact CB-CG2 4.1Å
146V93.3Very high92.5Very high24 Ų2422.8 Ų22.815%0.14511%0.107CC..Hα-helixtrans-65.7-40.4179.8-178.80000110V143 Q144 L149 A150 L163 V180 V185V143-V146 HydrophobicContact CB-CG2 4.16Å; V143-V146 HydrophobicContact CG1-CG2 4.44Å; V143-V146 PolarHBondContact O-N 3.36Å; V143-V146 VanDerWaalsContact O-N 3.07Å; Q144-V146 PolarHBondContact O-N 3.14Å; V146-L149 PolarHBondContact O-N 3.14Å; V146-A150 PolarHBondContact O-N 3.37Å; V146-L163 HydrophobicContact CG1-CD2 4.17Å; V146-V180 HydrophobicContact CG2-CG1 4.25Å; V146-V185 HydrophobicContact CG2-CG2 4.41Å
147L94.8Very high91.5Very high4 Ų427.4 Ų27.42%0.02113%0.128CC..Hα-helixtrans-65.1-39.8175-60.7-176.1000112.5L111 T113 A142 V143 Q144 A145 L149 A150 A151 V377 G380 L384L111-L147 HydrophobicContact CD2-CD1 4.1Å; T113-L147 HydrophobicContact CG2-CD1 3.8Å; A142-L147 HydrophobicContact CB-CD1 3.66Å; A142-L147 HydrophobicContact CB-CD2 4.03Å; A142-L147 HydrophobicContact CB-CG 3.98Å; V143-L147 PolarHBondContact O-N 2.81Å; Q144-L147 PolarHBondContact O-N 3.47Å; A145-L147 VanDerWaalsContact C-N 3.31Å; A145-L147 PolarHBondContact O-N 2.8Å; L147-L149 VanDerWaalsContact C-N 3.32Å; L147-L149 PolarHBondContact O-N 2.9Å; L147-A150 PolarHBondContact O-N 3.36Å; L147-A151 WeakPolarHBondContact O-CB 3.36Å; L147-A151 PolarHBondContact O-N 2.81Å; L147-V377 HydrophobicContact CB-CG1 4.46Å; L147-V377 WeakPolarHBondContact CB-O 3.13Å; L147-V377 HydrophobicContact CD1-CG1 4.11Å; L147-G380 WeakPolarHBondContact O-CA 3.35Å; L147-L384 HydrophobicContact CD2-CB 4.49Å; L147-L384 HydrophobicContact CD2-CD2 3.95Å
148A95.1Very high90.4Very high0 Ų027 Ų270%013%0.125CC..Hα-helixtrans-61.5-39.8175.500000112.1Q144 A145 A151 S152 V167 V377Q144-A148 PolarHBondContact O-N 3.06Å; A145-A148 PolarHBondContact O-N 2.89Å; A148-A151 PolarHBondContact O-N 3.49Å; A148-S152 PolarHBondContact O-N 3.05Å; A148-S152 VanDerWaalsContact O-N 3.13Å; A148-V167 HydrophobicContact CB-CG1 3.84Å; A148-V377 HydrophobicContact CB-CG2 4.44Å
149L93.8Very high89.2Confident0 Ų031.1 Ų31.10%017%0.168CC..Hα-helixtrans-62-47.2172.2-77.9161.3000111.5A145 V146 L147 A151 S152 L163 V167 V180 V320A145-L149 PolarHBondContact O-N 3.42Å; V146-L149 PolarHBondContact O-N 3.14Å; L147-L149 VanDerWaalsContact C-N 3.32Å; L147-L149 PolarHBondContact O-N 2.9Å; L149-A151 VanDerWaalsContact C-N 3.31Å; L149-A151 PolarHBondContact O-N 3.01Å; L149-S152 WeakPolarHBondContact O-CB 3.32Å; L149-S152 PolarHBondContact O-N 3.32Å; L149-S152 VanDerWaalsContact O-N 3.1Å; L149-S152 PolarHBondContact O-OG 3.33Å; L149-L163 HydrophobicContact CB-CD2 4.39Å; L149-V167 HydrophobicContact CD1-CG2 3.85Å; L149-V167 HydrophobicContact CD2-CG2 4.17Å; L149-V167 HydrophobicContact CG-CG2 3.58Å; L149-V180 HydrophobicContact CD1-CB 3.5Å; L149-V180 HydrophobicContact CD1-CG1 3.87Å; L149-V180 HydrophobicContact CD1-CG2 3.64Å; L149-V320 HydrophobicContact CD2-CB 4.3Å; L149-V320 HydrophobicContact CD2-CG2 3.7Å
150A92.3Very high88.3Confident1 Ų137.3 Ų37.31%0.00820%0.197CC..Hα-helixtrans-59.6-41.7177.800000112.1V146 L147 S152 W153V146-A150 PolarHBondContact O-N 3.37Å; L147-A150 PolarHBondContact O-N 3.36Å; A150-S152 VanDerWaalsContact C-N 3.27Å; A150-S152 PolarHBondContact O-N 3.27Å; A150-W153 HydrophobicContact CB-CE3 4.23Å; A150-W153 HydrophobicContact CB-CH2 4.22Å; A150-W153 HydrophobicContact CB-CZ3 4.05Å; A150-W153 VanDerWaalsContact O-CB 3.3Å; A150-W153 WeakPolarHBondContact O-CB 3.4Å; A150-W153 PolarHBondContact O-N 3.18Å
151A92.7Very high87.8Confident0 Ų044.5 Ų44.50%022%0.224CC..Hα-helixtrans-60.2-36.9175.400000112.8L147 A148 L149 W153 T154 A376 F379L147-A151 WeakPolarHBondContact O-CB 3.36Å; L147-A151 PolarHBondContact O-N 2.81Å; A148-A151 PolarHBondContact O-N 3.49Å; L149-A151 VanDerWaalsContact C-N 3.31Å; L149-A151 PolarHBondContact O-N 3.01Å; A151-W153 PolarHBondContact O-N 3.05Å; A151-T154 PolarHBondContact O-N 3.17Å; A151-T154 PolarHBondContact O-OG1 3.19Å; A151-A376 HydrophobicContact CB-CB 4.12Å; A151-A376 WeakPolarHBondContact CB-O 3.49Å; A151-F379 HydrophobicContact CB-CD1 3.75Å; A151-F379 HydrophobicContact CB-CE1 4.48Å
152S91.5Very high87.5Confident0 Ų045.5 Ų45.50%023%0.231CC..Hα-helixtrans-63.5-20.8-179.482.90000113.5A148 L149 A150 T154 S155 V158A148-S152 PolarHBondContact O-N 3.05Å; A148-S152 VanDerWaalsContact O-N 3.13Å; L149-S152 WeakPolarHBondContact O-CB 3.32Å; L149-S152 PolarHBondContact O-N 3.32Å; L149-S152 VanDerWaalsContact O-N 3.1Å; L149-S152 PolarHBondContact O-OG 3.33Å; A150-S152 VanDerWaalsContact C-N 3.27Å; A150-S152 PolarHBondContact O-N 3.27Å; S152-T154 PolarHBondContact O-N 2.73Å; S152-T154 VanDerWaalsContact O-N 3.09Å; S152-S155 WeakPolarHBondContact O-CA 3.32Å; S152-S155 WeakPolarHBondContact O-CB 3.22Å; S152-S155 PolarHBondContact O-N 3.48Å; S152-V158 VanDerWaalsContact O-CG2 3.32Å; S152-V158 WeakPolarHBondContact O-CG2 3.45Å
153W89.7Confident87.4Confident23 Ų2346 Ų469%0.08723%0.233CC..THydrogen-bonded Turntrans-62.4-17177.7-62-15.3000114.2A150 A151 S155 R161 T162 L163 M383 M417A150-W153 HydrophobicContact CB-CE3 4.23Å; A150-W153 HydrophobicContact CB-CH2 4.22Å; A150-W153 HydrophobicContact CB-CZ3 4.05Å; A150-W153 VanDerWaalsContact O-CB 3.3Å; A150-W153 WeakPolarHBondContact O-CB 3.4Å; A150-W153 PolarHBondContact O-N 3.18Å; A151-W153 PolarHBondContact O-N 3.05Å; W153-S155 VanDerWaalsContact C-N 3.3Å; W153-R161 HydrophobicContact CB-CG 4.05Å; W153-R161 HydrophobicContact CD2-CB 3.89Å; W153-R161 HydrophobicContact CD2-CG 3.98Å; W153-R161 HydrophobicContact CE3-CB 4.42Å; W153-R161 HydrophobicContact CE3-CG 4.4Å; W153-R161 HydrophobicContact CG-CB 4.06Å; W153-R161 HydrophobicContact CG-CG 3.84Å; W153-R161 HydrophobicContact CZ2-CB 4.36Å; W153-T162 PolarHBondContact NE1-O 3.02Å; W153-L163 HydrophobicContact CH2-CD2 3.73Å; W153-L163 HydrophobicContact CH2-CG 4.11Å; W153-L163 HydrophobicContact CZ2-CD2 3.35Å; W153-L163 HydrophobicContact CZ2-CG 3.71Å; W153-M383 HydrophobicContact CE3-CE 4.4Å; W153-M417 HydrophobicContact CH2-CB 3.49Å; W153-M417 VanDerWaalsContact CH2-CB 3.49Å; W153-M417 HydrophobicContact CH2-CE 4.38Å; W153-M417 HydrophobicContact CH2-CG 4.48Å; W153-M417 HydrophobicContact CH2-SD 4.23Å; W153-M417 HydrophobicContact CZ3-CB 3.84Å; W153-M417 HydrophobicContact CZ3-SD 4.02Å
154T84.6Confident87.5Confident61 Ų6145.2 Ų45.237%0.37423%0.228SC..THydrogen-bonded Turntrans-80.8-13.4172.362.90000112.9A151 S152 F379 M383A151-T154 PolarHBondContact O-N 3.17Å; A151-T154 PolarHBondContact O-OG1 3.19Å; S152-T154 PolarHBondContact O-N 2.73Å; S152-T154 VanDerWaalsContact O-N 3.09Å; T154-F379 HydrophobicContact CG2-CE1 3.57Å; T154-F379 HydrophobicContact CG2-CZ 3.8Å; T154-M383 HydrophobicContact CG2-CE 4.44Å; T154-M383 HydrophobicContact CG2-SD 4.1Å
155S81.7Confident87.5Confident15 Ų1544.5 Ų44.511%0.10523%0.225CC..SBendtrans-71.7134.4175-173.70000110.7S152 W153 Q157 V158 T369S152-S155 WeakPolarHBondContact O-CA 3.32Å; S152-S155 WeakPolarHBondContact O-CB 3.22Å; S152-S155 PolarHBondContact O-N 3.48Å; W153-S155 VanDerWaalsContact C-N 3.3Å; S155-Q157 PolarHBondContact O-N 2.81Å; S155-Q157 VanDerWaalsContact O-N 3.13Å; S155-Q157 PolarHBondContact OG-N 2.92Å; S155-V158 PolarHBondContact O-N 3.37Å; S155-T369 PolarHBondContact OG-O 3.5Å
156R74.9Confident87.8Confident255 Ų25544.5 Ų44.596%0.96223%0.225SC*.THydrogen-bonded Turntrans-63.1-17.6173.4-64.1-178.5179.1172.1-0.5113.3V158R156-V158 VanDerWaalsContact C-N 3.27Å
157Q76.2Confident88Confident97 Ų9743.3 Ų43.345%0.45322%0.218SC..THydrogen-bonded Turntrans-73.3-22.9176.3-65.4175.4-3400112S155 G159 I368 T369S155-Q157 PolarHBondContact O-N 2.81Å; S155-Q157 VanDerWaalsContact O-N 3.13Å; S155-Q157 PolarHBondContact OG-N 2.92Å; Q157-G159 PolarHBondContact O-N 2.85Å; Q157-I368 HydrophobicContact CB-CD1 3.83Å; Q157-I368 HydrophobicContact CB-CG2 4.42Å; Q157-T369 PolarHBondContact OE1-O 3.39Å
158V74.1Confident88.1Confident24 Ų2443.1 Ų43.115%0.14522%0.217CC..  trans-91.1103.3-179.3179.80000108.5S152 S155 R156 E160 I368S152-V158 VanDerWaalsContact O-CG2 3.32Å; S152-V158 WeakPolarHBondContact O-CG2 3.45Å; S155-V158 PolarHBondContact O-N 3.37Å; R156-V158 VanDerWaalsContact C-N 3.27Å; V158-E160 WeakPolarHBondContact CG1-O 3.39Å; V158-I368 HydrophobicContact CG2-CD1 4.29Å; V158-I368 HydrophobicContact CG2-CG1 4.22Å; V158-I368 HydrophobicContact CG2-CG2 3.75Å
159G71.7Confident88.2Confident88 Ų8844 Ų4491%0.90722%0.221SC*.  trans-79.5-19.9175.900000113.9Q157Q157-G159 PolarHBondContact O-N 2.85Å
160E78.8Confident88.3Confident130 Ų13044 Ų4461%0.60722%0.221SC*.SBendtrans-135.7129.5-174.1-177.6175.8-168.700109.6V158 T162V158-E160 WeakPolarHBondContact CG1-O 3.39Å; E160-T162 PolarHBondContact O-N 2.75Å
161R85.8Confident88.4Confident164 Ų16445.1 Ų45.162%0.61923%0.233SC*.  trans-76.592.5176.4-64.6-173.3-179.4173.9-0.5109.1W153W153-R161 HydrophobicContact CB-CG 4.05Å; W153-R161 HydrophobicContact CD2-CB 3.89Å; W153-R161 HydrophobicContact CD2-CG 3.98Å; W153-R161 HydrophobicContact CE3-CB 4.42Å; W153-R161 HydrophobicContact CE3-CG 4.4Å; W153-R161 HydrophobicContact CG-CB 4.06Å; W153-R161 HydrophobicContact CG-CG 3.84Å; W153-R161 HydrophobicContact CZ2-CB 4.36Å
162T89.9Confident88.5Confident33 Ų3346.6 Ų46.620%0.20224%0.241CC..  trans-115.5142.8177.4-177.20000110.5W153 E160 T164W153-T162 PolarHBondContact NE1-O 3.02Å; E160-T162 PolarHBondContact O-N 2.75Å; T162-T164 VanDerWaalsContact C-N 3.28Å; T162-T164 WeakPolarHBondContact CG2-O 3.33Å; T162-T164 WeakPolarHBondContact OG1-CB 3.47Å; T162-T164 PolarHBondContact OG1-N 2.89Å
163L91.8Very high88.5Confident12 Ų1247 Ų476%0.06325%0.246CC..SBendtrans-9312.5166.5-66.3176.9000111.9V146 L149 W153 V180 G183V146-L163 HydrophobicContact CG1-CD2 4.17Å; L149-L163 HydrophobicContact CB-CD2 4.39Å; W153-L163 HydrophobicContact CH2-CD2 3.73Å; W153-L163 HydrophobicContact CH2-CG 4.11Å; W153-L163 HydrophobicContact CZ2-CD2 3.35Å; W153-L163 HydrophobicContact CZ2-CG 3.71Å; L163-V180 VanDerWaalsContact O-CG1 3.27Å; L163-V180 WeakPolarHBondContact O-CG1 3.37Å; L163-G183 VanDerWaalsContact CB-N 3.34Å; L163-G183 PolarHBondContact O-N 3.44Å
164T94.8Very high88.6Confident3 Ų347 Ų472%0.01825%0.248CC..  trans-99.6119.2171.5-62.10000109.5T162 V180 A181 E182 P314 L315 N318T162-T164 VanDerWaalsContact C-N 3.28Å; T162-T164 WeakPolarHBondContact CG2-O 3.33Å; T162-T164 WeakPolarHBondContact OG1-CB 3.47Å; T162-T164 PolarHBondContact OG1-N 2.89Å; T164-V180 CarbonylContact C-O 3.56Å; T164-V180 VanDerWaalsContact CA-O 3.3Å; T164-V180 WeakPolarHBondContact CA-O 3.38Å; T164-A181 HydrophobicContact CG2-CB 4.5Å; T164-E182 PolarHBondContact OG1-N 3.13Å; T164-E182 PolarHBondContact OG1-OE1 2.74Å; T164-P314 HydrophobicContact CG2-CB 3.41Å; T164-P314 VanDerWaalsContact CG2-CB 3.41Å; T164-P314 HydrophobicContact CG2-CG 4.41Å; T164-L315 HydrophobicContact CG2-CD2 4.38Å; T164-N318 PolarHBondContact O-ND2 3.25Å
165G96.6Very high89.1Confident0 Ų044.1 Ų44.10%023%0.23CC..EExtended strand (participates in β ladder)trans176.5168.2-178.600000112.9V180 L315 N318G165-V180 PolarHBondContact N-O 3.18Å; G165-V180 PolarHBondContact O-N 2.76Å; G165-V180 VanDerWaalsContact O-O 3.13Å; G165-L315 VanDerWaalsContact O-CD2 3.26Å; G165-L315 WeakPolarHBondContact O-CD2 3.47Å; G165-N318 CarbonylContact C-O 3.6Å; G165-N318 WeakPolarHBondContact CA-O 3.27Å
166T98.5Very high89.8Confident0 Ų043.7 Ų43.70%023%0.227CC..EExtended strand (participates in β ladder)trans-102.7118.3173.5-61.90000109.5V177 V300 I304 N318 I319 V320T166-V177 HydrophobicContact CG2-CG1 3.6Å; T166-V300 HydrophobicContact CG2-CG1 4.32Å; T166-I304 HydrophobicContact CG2-CD1 4.46Å; T166-I304 HydrophobicContact CG2-CG1 4.41Å; T166-I304 WeakPolarHBondContact OG1-CG1 3.37Å; T166-N318 PolarHBondContact N-O 2.68Å; T166-I319 CarbonylContact O-C 3.51Å; T166-I319 WeakPolarHBondContact O-CA 3.43Å; T166-V320 PolarHBondContact O-N 3.18Å
167V97.9Very high90.9Very high0 Ų031.5 Ų31.50%018%0.181CC..EExtended strand (participates in β ladder)trans-93128.2176.7-176.50000109.6A145 A148 L149 D169 V177 I178 V180 V320A145-V167 HydrophobicContact CB-CB 4.07Å; A145-V167 HydrophobicContact CB-CG1 4.35Å; A145-V167 HydrophobicContact CB-CG2 4.03Å; A145-V167 WeakPolarHBondContact O-CG2 3.42Å; A148-V167 HydrophobicContact CB-CG1 3.84Å; L149-V167 HydrophobicContact CD1-CG2 3.85Å; L149-V167 HydrophobicContact CD2-CG2 4.17Å; L149-V167 HydrophobicContact CG-CG2 3.58Å; V167-D169 HydrophobicContact CG1-CB 4.28Å; V167-V177 WeakPolarHBondContact O-CA 3.45Å; V167-I178 HydrophobicContact CB-CB 4.43Å; V167-I178 PolarHBondContact N-O 3.33Å; V167-I178 PolarHBondContact O-N 2.92Å; V167-V180 HydrophobicContact CG2-CG2 4.47Å; V167-V320 CarbonylContact C-O 3.53Å; V167-V320 WeakPolarHBondContact CA-O 3.42Å
168I98.1Very high91.9Very high0 Ų027 Ų270%016%0.16CC..EExtended strand (participates in β ladder)trans-107.498.4169.5-58.2170.3000106.4H176 V177 I296 V300 I319 V320 L321 S322 L335I168-H176 WeakPolarHBondContact CA-O 3.48Å; I168-V177 HydrophobicContact CG1-CG1 4.44Å; I168-V177 HydrophobicContact CG1-CG2 4.45Å; I168-I296 HydrophobicContact CG2-CD1 3.87Å; I168-V300 HydrophobicContact CD1-CB 4.48Å; I168-V300 HydrophobicContact CD1-CG1 4.29Å; I168-V300 HydrophobicContact CD1-CG2 3.38Å; I168-V300 HydrophobicContact CG1-CG2 3.87Å; I168-I319 HydrophobicContact CD1-CG2 3.51Å; I168-I319 HydrophobicContact CG1-CG2 4.09Å; I168-V320 PolarHBondContact N-O 3Å; I168-L321 HydrophobicContact CB-CD2 3.9Å; I168-L321 HydrophobicContact CD1-CD2 3.93Å; I168-L321 HydrophobicContact CG1-CD2 4.44Å; I168-L321 HydrophobicContact CG2-CD2 4.36Å; I168-S322 PolarHBondContact O-N 3.13Å; I168-L335 HydrophobicContact CD1-CD2 3.36Å
169D96.3Very high93Very high17 Ų1725.8 Ų25.89%0.09115%0.153CC..EExtended strand (participates in β ladder)trans-100.2112179.6-170.632.8000109.7V167 T175 H176 S322V167-D169 HydrophobicContact CG1-CB 4.28Å; D169-T175 CarbonylContact O-C 3.49Å; D169-T175 VanDerWaalsContact O-CA 3.28Å; D169-T175 WeakPolarHBondContact O-CA 3.44Å; D169-H176 PolarHBondContact N-O 2.81Å; D169-H176 PolarHBondContact O-N 2.82Å; D169-S322 WeakPolarHBondContact CA-O 3.5Å; D169-S322 WeakPolarHBondContact OD1-CB 3.4Å; D169-S322 PolarHBondContact OD1-OG 3.36Å
170S96.7Very high94.2Very high0 Ų021.6 Ų21.60%011%0.109CC..EExtended strand (participates in β ladder)trans-12498.6-177-168.90000110.9T175 F282 S322 G323 G324 S325S170-T175 WeakPolarHBondContact CB-OG1 3.34Å; S170-T175 PolarHBondContact OG-OG1 2.75Å; S170-F282 VanDerWaalsContact OG-CZ 3.24Å; S170-F282 WeakPolarHBondContact OG-CZ 3.38Å; S170-S322 PolarHBondContact N-O 2.9Å; S170-G323 CarbonylContact O-C 3.51Å; S170-G323 VanDerWaalsContact O-CA 3.32Å; S170-G323 WeakPolarHBondContact O-CA 3.35Å; S170-G324 PolarHBondContact O-N 2.87Å; S170-S325 WeakPolarHBondContact O-CB 3.42Å; S170-S325 PolarHBondContact O-N 3.11Å; S170-S325 VanDerWaalsContact OG-CB 3.23Å; S170-S325 WeakPolarHBondContact OG-CB 3.39Å
171G94.6Very high95Very high26 Ų2616.1 Ų16.127%0.2689%0.086SC..  trans-92.1-156.1179.500000113.3V174 G197 S325G171-V174 PolarHBondContact N-O 2.81Å; G171-G197 PolarHBondContact O-N 3.18Å; G171-S325 PolarHBondContact O-OG 2.81Å
172D93.4Very high95.2Very high30 Ų3014.3 Ų14.316%0.169%0.085CC..SBendtrans-76.3-42174.8-172.863.8000112.2A196 G197 R198D172-A196 VanDerWaalsContact O-CB 3.29Å; D172-A196 WeakPolarHBondContact O-CB 3.24Å; D172-G197 PolarHBondContact O-N 2.92Å; D172-R198 WeakPolarHBondContact O-CB 3.29Å; D172-R198 PolarHBondContact O-N 3.14Å; D172-R198 IonicContact OD2-CZ 3.38Å; D172-R198 IonicContact OD2-NE 3.1Å; D172-R198 PolarHBondContact OD2-NE 2.78Å; D172-R198 VanDerWaalsContact OD2-NE 3.14Å; D172-R198 IonicContact OD2-NH2 2.71Å; D172-R198 PolarHBondContact OD2-NH2 3.39Å
173G91.6Very high95.2Very high10 Ų1012.9 Ų12.910%0.1038%0.076CC..SBendtrans-107.1-10.7-170.800000116H80H80-G173 PolarHBondContact ND1-O 2.82Å
174V91.9Very high95.1Very high22 Ų2219.3 Ų19.313%0.13310%0.101CC..  trans-158.7148.5-176.564.30000111.6G171 H176G171-V174 PolarHBondContact N-O 2.81Å; V174-H176 WeakPolarHBondContact CG1-CE1 3.21Å; V174-H176 WeakPolarHBondContact CG2-CE1 3.21Å; V174-H176 VanDerWaalsContact CG2-NE2 3.35Å; V174-H176 WeakPolarHBondContact CG2-NE2 3.45Å
175T95.6Very high95Very high0 Ų021.2 Ų21.20%011%0.113CC..EExtended strand (participates in β ladder)trans-120.9130.2168.4-61.30000110.1D169 S170 I193 I195 F282 I296D169-T175 CarbonylContact O-C 3.49Å; D169-T175 VanDerWaalsContact O-CA 3.28Å; D169-T175 WeakPolarHBondContact O-CA 3.44Å; S170-T175 WeakPolarHBondContact CB-OG1 3.34Å; S170-T175 PolarHBondContact OG-OG1 2.75Å; T175-I193 HydrophobicContact CG2-CB 4.18Å; T175-I193 HydrophobicContact CG2-CD1 4.11Å; T175-I193 HydrophobicContact CG2-CG1 4.45Å; T175-I193 PolarHBondContact O-N 3.48Å; T175-I195 WeakPolarHBondContact CB-O 3.38Å; T175-I195 PolarHBondContact OG1-O 2.85Å; T175-F282 HydrophobicContact CG2-CE1 4.26Å; T175-I296 HydrophobicContact CG2-CD1 4.23Å
176H95.7Very high95Very high6 Ų622.6 Ų22.63%0.02812%0.12CC..EExtended strand (participates in β ladder)trans-122.5141.2179.5-60.9107.7000111.1I168 D169 V174 I178 H192I168-H176 WeakPolarHBondContact CA-O 3.48Å; D169-H176 PolarHBondContact N-O 2.81Å; D169-H176 PolarHBondContact O-N 2.82Å; V174-H176 WeakPolarHBondContact CG1-CE1 3.21Å; V174-H176 WeakPolarHBondContact CG2-CE1 3.21Å; V174-H176 VanDerWaalsContact CG2-NE2 3.35Å; V174-H176 WeakPolarHBondContact CG2-NE2 3.45Å; H176-I178 HydrophobicContact CB-CD1 3.67Å; H176-I178 HydrophobicContact CB-CG1 3.66Å; H176-H192 AromaticContact CD2-CE1 3.25Å; H176-H192 PolarHBondContact CD2-CE1 3.18Å; H176-H192 AromaticContact CD2-CG 3.95Å; H176-H192 AromaticContact CD2-ND1 2.99Å; H176-H192 PolarHBondContact CD2-ND1 3.27Å; H176-H192 AromaticContact NE2-CE1 3.17Å; H176-H192 PolarHBondContact NE2-CE1 2.98Å; H176-H192 AromaticContact NE2-ND1 2.96Å; H176-H192 PolarHBondContact NE2-ND1 3.1Å
177V98.3Very high94.7Very high0 Ų024.3 Ų24.30%014%0.137CC..EExtended strand (participates in β ladder)trans-111113.9164.8-174.60000108T166 V167 I168 K191 I193 V299 V300 V303T166-V177 HydrophobicContact CG2-CG1 3.6Å; V167-V177 WeakPolarHBondContact O-CA 3.45Å; I168-V177 HydrophobicContact CG1-CG1 4.44Å; I168-V177 HydrophobicContact CG1-CG2 4.45Å; V177-K191 PolarHBondContact N-O 3.49Å; V177-K191 PolarHBondContact O-N 2.95Å; V177-I193 HydrophobicContact CG2-CD1 4.06Å; V177-V299 HydrophobicContact CG2-CG1 4.05Å; V177-V300 HydrophobicContact CG1-CB 4.37Å; V177-V300 HydrophobicContact CG1-CG2 3.88Å; V177-V300 HydrophobicContact CG2-CG2 3.79Å; V177-V303 HydrophobicContact CB-CG2 3.92Å; V177-V303 HydrophobicContact CG1-CB 3.87Å; V177-V303 HydrophobicContact CG1-CG1 3.89Å; V177-V303 HydrophobicContact CG1-CG2 3.75Å
178I97.7Very high94.5Very high1 Ų129.9 Ų29.91%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-124.3106.1-165.6-50.9166.6000108.8P116 A145 V167 H176 V180 V185 I190P116-I178 HydrophobicContact CB-CG2 4.27Å; P116-I178 HydrophobicContact CG-CD1 3.65Å; P116-I178 HydrophobicContact CG-CG1 4.04Å; P116-I178 HydrophobicContact CG-CG2 4.33Å; A145-I178 HydrophobicContact CB-CB 3.99Å; A145-I178 HydrophobicContact CB-CD1 3.78Å; A145-I178 HydrophobicContact CB-CG1 4.5Å; A145-I178 HydrophobicContact CB-CG2 3.66Å; V167-I178 HydrophobicContact CB-CB 4.43Å; V167-I178 PolarHBondContact N-O 3.33Å; V167-I178 PolarHBondContact O-N 2.92Å; H176-I178 HydrophobicContact CB-CD1 3.67Å; H176-I178 HydrophobicContact CB-CG1 3.66Å; I178-V180 HydrophobicContact CG2-CG2 4.31Å; I178-V185 HydrophobicContact CG2-CG1 3.69Å; I178-V185 HydrophobicContact CG2-CG2 4.34Å; I178-I190 HydrophobicContact CG1-CG2 4.45Å; I178-I190 HydrophobicContact CG2-CD1 4.37Å; I178-I190 HydrophobicContact CG2-CG1 4.31Å
179P98.2Very high94.5Very high0 Ų030.3 Ų30.30%018%0.179CC..EExtended strand (participates in β ladder)trans-78.3130.117330.1-29.5000110.5I186 C189 V303 C307 L315P179-I186 HydrophobicContact CB-CB 4.44Å; P179-I186 HydrophobicContact CB-CD1 4.42Å; P179-I186 HydrophobicContact CG-CB 4.02Å; P179-I186 PolarHBondContact O-N 2.67Å; P179-C189 HydrophobicContact CG-CB 3.76Å; P179-V303 HydrophobicContact CB-CG1 4.01Å; P179-V303 HydrophobicContact CG-CG1 3.63Å; P179-C307 WeakPolarHBondContact CB-SG 3.21Å; P179-L315 HydrophobicContact CB-CD1 4.12Å; P179-L315 HydrophobicContact CB-CD2 4.3Å
180V96.2Very high94.5Very high0 Ų030.3 Ų30.30%018%0.179CC..EExtended strand (participates in β ladder)trans-123.7132.9176.8-169.20000108.5A145 V146 L149 L163 T164 G165 V167 I178 Y184 V185 L315A145-V180 HydrophobicContact CB-CG2 4.1Å; V146-V180 HydrophobicContact CG2-CG1 4.25Å; L149-V180 HydrophobicContact CD1-CB 3.5Å; L149-V180 HydrophobicContact CD1-CG1 3.87Å; L149-V180 HydrophobicContact CD1-CG2 3.64Å; L163-V180 VanDerWaalsContact O-CG1 3.27Å; L163-V180 WeakPolarHBondContact O-CG1 3.37Å; T164-V180 CarbonylContact C-O 3.56Å; T164-V180 VanDerWaalsContact CA-O 3.3Å; T164-V180 WeakPolarHBondContact CA-O 3.38Å; G165-V180 PolarHBondContact N-O 3.18Å; G165-V180 PolarHBondContact O-N 2.76Å; G165-V180 VanDerWaalsContact O-O 3.13Å; V167-V180 HydrophobicContact CG2-CG2 4.47Å; I178-V180 HydrophobicContact CG2-CG2 4.31Å; V180-Y184 CarbonylContact C-O 3.55Å; V180-Y184 WeakPolarHBondContact CA-O 3.4Å; V180-V185 HydrophobicContact CG2-CG2 4.27Å; V180-L315 VanDerWaalsContact O-CD2 3.32Å; V180-L315 WeakPolarHBondContact O-CD2 3.26Å
181A94.6Very high94.5Very high14 Ų1433.7 Ų33.712%0.11619%0.193CC..EExtended strand (participates in β ladder)trans-127.5121.4174.800000109.2T164 G183 Y184 I186 V311T164-A181 HydrophobicContact CG2-CB 4.5Å; A181-G183 PolarHBondContact O-N 3.01Å; A181-G183 VanDerWaalsContact O-N 3.16Å; A181-Y184 PolarHBondContact N-O 3.05Å; A181-Y184 WeakPolarHBondContact O-CA 3.22Å; A181-Y184 WeakPolarHBondContact O-CB 3.44Å; A181-Y184 PolarHBondContact O-N 3.47Å; A181-I186 HydrophobicContact CB-CD1 4.05Å; A181-I186 HydrophobicContact CB-CG1 4.39Å; A181-V311 HydrophobicContact CB-CB 4.39Å; A181-V311 HydrophobicContact CB-CG1 3.9Å
182E90.5Very high94.4Very high126 Ų12637 Ų3759%0.58920%0.202SC*.THydrogen-bonded Turntrans51.838-179.7-53.2-53.8140.200112.6T164 Y184T164-E182 PolarHBondContact OG1-N 3.13Å; T164-E182 PolarHBondContact OG1-OE1 2.74Å; E182-Y184 VanDerWaalsContact C-N 3.25Å; E182-Y184 VanDerWaalsContact O-CD2 3.28Å; E182-Y184 WeakPolarHBondContact O-CD2 3.29Å; E182-Y184 PolarHBondContact O-N 3.12Å
183G90.1Very high94.5Very high3 Ų335.9 Ų35.93%0.03120%0.195CC..THydrogen-bonded Turntrans82.2-8.8-177.400000115.1L163 A181L163-G183 VanDerWaalsContact CB-N 3.34Å; L163-G183 PolarHBondContact O-N 3.44Å; A181-G183 PolarHBondContact O-N 3.01Å; A181-G183 VanDerWaalsContact O-N 3.16Å
184Y90.6Very high94.5Very high148 Ų14838.5 Ų38.558%0.5821%0.211SC*.EExtended strand (participates in β ladder)trans-92.5127.2176.5-62.1-85.6000111.3V180 A181 E182 V413V180-Y184 CarbonylContact C-O 3.55Å; V180-Y184 WeakPolarHBondContact CA-O 3.4Å; A181-Y184 PolarHBondContact N-O 3.05Å; A181-Y184 WeakPolarHBondContact O-CA 3.22Å; A181-Y184 WeakPolarHBondContact O-CB 3.44Å; A181-Y184 PolarHBondContact O-N 3.47Å; E182-Y184 VanDerWaalsContact C-N 3.25Å; E182-Y184 VanDerWaalsContact O-CD2 3.28Å; E182-Y184 WeakPolarHBondContact O-CD2 3.29Å; E182-Y184 PolarHBondContact O-N 3.12Å; Y184-V413 HydrophobicContact CD1-CG2 4.21Å; Y184-V413 HydrophobicContact CE1-CB 4.18Å; Y184-V413 HydrophobicContact CE1-CG1 4.34Å; Y184-V413 HydrophobicContact CE1-CG2 3.85Å
185V92.8Very high94.6Very high43 Ų4337.6 Ų37.626%0.26121%0.205SC..EExtended strand (participates in β ladder)trans-73.1128.5173.7178.50000109.8P116 V143 V146 I178 V180 G187 I190P116-V185 HydrophobicContact CB-CG1 4.08Å; V143-V185 HydrophobicContact CG1-CG2 4.02Å; V146-V185 HydrophobicContact CG2-CG2 4.41Å; I178-V185 HydrophobicContact CG2-CG1 3.69Å; I178-V185 HydrophobicContact CG2-CG2 4.34Å; V180-V185 HydrophobicContact CG2-CG2 4.27Å; V185-G187 VanDerWaalsContact C-N 3.26Å; V185-G187 PolarHBondContact O-N 3.41Å; V185-I190 HydrophobicContact CG1-CD1 3.68Å; V185-I190 HydrophobicContact CG1-CG1 4.21Å
186I95Very high94.6Very high29 Ų2937.6 Ų37.615%0.14921%0.205CC..  trans-84.377174-47.9174.7000108P179 A181 S188 C189 C307 V311P179-I186 HydrophobicContact CB-CB 4.44Å; P179-I186 HydrophobicContact CB-CD1 4.42Å; P179-I186 HydrophobicContact CG-CB 4.02Å; P179-I186 PolarHBondContact O-N 2.67Å; A181-I186 HydrophobicContact CB-CD1 4.05Å; A181-I186 HydrophobicContact CB-CG1 4.39Å; I186-S188 VanDerWaalsContact C-N 3.27Å; I186-S188 PolarHBondContact O-N 2.65Å; I186-S188 VanDerWaalsContact O-N 3.16Å; I186-C189 HydrophobicContact CG2-CB 4.14Å; I186-C189 PolarHBondContact O-N 2.86Å; I186-C307 HydrophobicContact CD1-CB 4.17Å; I186-V311 HydrophobicContact CD1-CG2 3.98Å
187G92.8Very high94.6Very high35 Ų3537.4 Ų37.436%0.36121%0.205SC..G310 helixtrans-53.3-37.8-169.600000114.8V185 C189 I190V185-G187 VanDerWaalsContact C-N 3.26Å; V185-G187 PolarHBondContact O-N 3.41Å; G187-C189 PolarHBondContact O-N 2.94Å; G187-C189 VanDerWaalsContact O-N 3.15Å; G187-I190 WeakPolarHBondContact O-CG1 3.38Å; G187-I190 PolarHBondContact O-N 2.96Å
188S94.5Very high94.4Very high118 Ų11841 Ų4183%0.82522%0.218SC*.G310 helixtrans-65.4-15.9179.558.40000114.5I186I186-S188 VanDerWaalsContact C-N 3.27Å; I186-S188 PolarHBondContact O-N 2.65Å; I186-S188 VanDerWaalsContact O-N 3.16Å
189C97.3Very high94.3Very high8 Ų843.9 Ų43.95%0.05423%0.233CC..G310 helixtrans-106.5-1.1-176.6-61.20000112.7P179 I186 G187 V303 N306P179-C189 HydrophobicContact CG-CB 3.76Å; I186-C189 HydrophobicContact CG2-CB 4.14Å; I186-C189 PolarHBondContact O-N 2.86Å; G187-C189 PolarHBondContact O-N 2.94Å; G187-C189 VanDerWaalsContact O-N 3.15Å; C189-V303 WeakPolarHBondContact O-CG1 3.04Å; C189-V303 WeakPolarHBondContact O-CG2 3.44Å; C189-N306 HydrophobicContact CB-CB 4.42Å; C189-N306 PolarHBondContact SG-O 3.48Å; C189-N306 VanDerWaalsContact SG-O 3.34Å
190I96.7Very high94.3Very high17 Ų1743.9 Ų43.99%0.08723%0.233CC..  trans-63.8140.2179.1-61.9172.4000109.9P116 L117 I178 V185 G187P116-I190 HydrophobicContact CB-CD1 3.65Å; P116-I190 HydrophobicContact CG-CD1 3.81Å; L117-I190 HydrophobicContact CD1-CG2 4.48Å; L117-I190 HydrophobicContact CD2-CD1 3.9Å; L117-I190 HydrophobicContact CG-CD1 4.01Å; I178-I190 HydrophobicContact CG1-CG2 4.45Å; I178-I190 HydrophobicContact CG2-CD1 4.37Å; I178-I190 HydrophobicContact CG2-CG1 4.31Å; V185-I190 HydrophobicContact CG1-CD1 3.68Å; V185-I190 HydrophobicContact CG1-CG1 4.21Å; G187-I190 WeakPolarHBondContact O-CG1 3.38Å; G187-I190 PolarHBondContact O-N 2.96Å
191K96.7Very high94.4Very high72 Ų7244.2 Ų44.231%0.31324%0.236SC..EExtended strand (participates in β ladder)trans-124139.2170.7-69.9-74.3-173.5149.90111.3V177 V299 E302 V303V177-K191 PolarHBondContact N-O 3.49Å; V177-K191 PolarHBondContact O-N 2.95Å; K191-V299 HydrophobicContact CB-CG1 3.63Å; K191-V299 HydrophobicContact CG-CG1 4.19Å; K191-E302 WeakPolarHBondContact CE-OE1 3.23Å; K191-E302 IonicContact NZ-OE1 2.85Å; K191-E302 PolarHBondContact NZ-OE1 2.83Å; K191-E302 IonicContact NZ-OE2 2.77Å; K191-V303 HydrophobicContact CB-CG2 3.61Å; K191-V303 HydrophobicContact CG-CG2 3.37Å
192H93.1Very high94.5Very high96 Ų9648.1 Ų48.144%0.44425%0.248SC..EExtended strand (participates in β ladder)trans-97.8135.9170-58.4-93.4000108.8L117 H176L117-H192 VanDerWaalsContact CD1-NE2 3.28Å; L117-H192 WeakPolarHBondContact CD1-NE2 3.36Å; H176-H192 AromaticContact CD2-CE1 3.25Å; H176-H192 PolarHBondContact CD2-CE1 3.18Å; H176-H192 AromaticContact CD2-CG 3.95Å; H176-H192 AromaticContact CD2-ND1 2.99Å; H176-H192 PolarHBondContact CD2-ND1 3.27Å; H176-H192 AromaticContact NE2-CE1 3.17Å; H176-H192 PolarHBondContact NE2-CE1 2.98Å; H176-H192 AromaticContact NE2-ND1 2.96Å; H176-H192 PolarHBondContact NE2-ND1 3.1Å
193I94Very high94.8Very high5 Ų543 Ų433%0.02622%0.224CC..EExtended strand (participates in β ladder)trans-108124.2172-56.8178.9000106.5T175 V177 I195 F292 I296 V299T175-I193 HydrophobicContact CG2-CB 4.18Å; T175-I193 HydrophobicContact CG2-CD1 4.11Å; T175-I193 HydrophobicContact CG2-CG1 4.45Å; T175-I193 PolarHBondContact O-N 3.48Å; V177-I193 HydrophobicContact CG2-CD1 4.06Å; I193-I195 HydrophobicContact CG2-CB 4.02Å; I193-I195 HydrophobicContact CG2-CG1 4.37Å; I193-I195 PolarHBondContact O-N 3.34Å; I193-F292 HydrophobicContact CG2-CE1 3.74Å; I193-F292 HydrophobicContact CG2-CZ 3.99Å; I193-I296 HydrophobicContact CD1-CB 4.07Å; I193-I296 HydrophobicContact CD1-CD1 3.85Å; I193-I296 HydrophobicContact CD1-CG1 3.57Å; I193-V299 HydrophobicContact CD1-CB 4.01Å; I193-V299 HydrophobicContact CD1-CG1 3.96Å; I193-V299 HydrophobicContact CD1-CG2 4.07Å; I193-V299 HydrophobicContact CG1-CB 4.39Å; I193-V299 HydrophobicContact CG1-CG1 3.95Å; I193-V299 HydrophobicContact CG1-CG2 4.21Å
194P91.9Very high95.1Very high66 Ų6642.9 Ų42.943%0.42922%0.222SC..SBendtrans-77.741.8-177.835.6-37.8000111.7F292P194-F292 HydrophobicContact CG-CB 3.88Å; P194-F292 HydrophobicContact CG-CD1 3.96Å; P194-F292 HydrophobicContact CG-CD2 3.74Å; P194-F292 HydrophobicContact CG-CE2 4.29Å; P194-F292 HydrophobicContact CG-CG 3.56Å
195I94.3Very high95.4Very high3 Ų336.7 Ų36.72%0.01520%0.199CC..  trans-143.7122.9-178.9-62.4-178.7000107.5T175 I193 I281 F282 P285 F292T175-I195 WeakPolarHBondContact CB-O 3.38Å; T175-I195 PolarHBondContact OG1-O 2.85Å; I193-I195 HydrophobicContact CG2-CB 4.02Å; I193-I195 HydrophobicContact CG2-CG1 4.37Å; I193-I195 PolarHBondContact O-N 3.34Å; I195-I281 VanDerWaalsContact CD1-O 3.3Å; I195-I281 WeakPolarHBondContact CD1-O 3.49Å; I195-I281 HydrophobicContact CG2-CD1 3.77Å; I195-I281 HydrophobicContact CG2-CG1 3.73Å; I195-F282 HydrophobicContact CB-CE1 4.39Å; I195-F282 HydrophobicContact CG2-CD1 4.04Å; I195-F282 HydrophobicContact CG2-CE1 3.86Å; I195-F282 HydrophobicContact CG2-CZ 4.27Å; I195-P285 HydrophobicContact CD1-CB 3.29Å; I195-F292 HydrophobicContact CD1-CD1 4.23Å
196A95Very high95.5Very high0 Ų040.2 Ų40.20%021%0.212CC..  trans-144.8-171.3176.500000111.2D172 R198 D199 I200D172-A196 VanDerWaalsContact O-CB 3.29Å; D172-A196 WeakPolarHBondContact O-CB 3.24Å; A196-R198 PolarHBondContact O-N 2.96Å; A196-R198 VanDerWaalsContact O-N 3.15Å; A196-D199 PolarHBondContact N-OD2 2.83Å; A196-D199 PolarHBondContact O-N 3.31Å; A196-D199 VanDerWaalsContact O-N 3.15Å; A196-I200 WeakPolarHBondContact O-CG1 3.26Å; A196-I200 PolarHBondContact O-N 3.49Å; A196-I200 VanDerWaalsContact O-N 3.15Å
197G95.9Very high95.5Very high1 Ų141 Ų411%0.0122%0.217CC..Hα-helixtrans-56.2-33.7-175.800000114G171 D172 T201 K228 S325G171-G197 PolarHBondContact O-N 3.18Å; D172-G197 PolarHBondContact O-N 2.92Å; G197-T201 PolarHBondContact O-N 3.07Å; G197-T201 PolarHBondContact O-OG1 2.72Å; G197-K228 PolarHBondContact O-NZ 3.28Å; G197-S325 VanDerWaalsContact CA-OG 3.23Å; G197-S325 WeakPolarHBondContact CA-OG 3.42Å; G197-S325 PolarHBondContact N-OG 2.85Å
198R95.2Very high95.7Very high76 Ų7639.4 Ų39.429%0.28720%0.2SC..Hα-helixtrans-71.5-43178.3-171169.5-62.1-154.11.2112.1D172 A196 I200 T201 Y202D172-R198 WeakPolarHBondContact O-CB 3.29Å; D172-R198 PolarHBondContact O-N 3.14Å; D172-R198 IonicContact OD2-CZ 3.38Å; D172-R198 IonicContact OD2-NE 3.1Å; D172-R198 PolarHBondContact OD2-NE 2.78Å; D172-R198 VanDerWaalsContact OD2-NE 3.14Å; D172-R198 IonicContact OD2-NH2 2.71Å; D172-R198 PolarHBondContact OD2-NH2 3.39Å; A196-R198 PolarHBondContact O-N 2.96Å; A196-R198 VanDerWaalsContact O-N 3.15Å; R198-I200 VanDerWaalsContact C-N 3.33Å; R198-I200 PolarHBondContact O-N 3.06Å; R198-T201 WeakPolarHBondContact O-CA 3.16Å; R198-T201 VanDerWaalsContact O-CB 3.27Å; R198-T201 WeakPolarHBondContact O-CB 3.41Å; R198-T201 PolarHBondContact O-N 3.47Å; R198-Y202 HydrophobicContact CG-CD2 3.99Å; R198-Y202 HydrophobicContact CG-CE2 3.45Å; R198-Y202 VanDerWaalsContact CG-CE2 3.45Å; R198-Y202 WeakPolarHBondContact O-CD2 3.13Å; R198-Y202 PolarHBondContact O-N 2.88Å
199D95.9Very high95.5Very high61 Ų6140.5 Ų40.533%0.32619%0.186SC..Hα-helixtrans-62-41.9177-51.9-67.7000111.3A196 T201 Y202 F203A196-D199 PolarHBondContact N-OD2 2.83Å; A196-D199 PolarHBondContact O-N 3.31Å; A196-D199 VanDerWaalsContact O-N 3.15Å; D199-T201 PolarHBondContact O-N 3.35Å; D199-Y202 PolarHBondContact O-N 3.08Å; D199-F203 WeakPolarHBondContact O-CB 3.34Å; D199-F203 PolarHBondContact O-N 3.24Å
200I97.4Very high94.9Very high0 Ų047 Ų470%022%0.22CC..Hα-helixtrans-60.5-37.6173.5-60.3166.7000110.9A196 R198 F203 I204 K228 I281 F282 F328A196-I200 WeakPolarHBondContact O-CG1 3.26Å; A196-I200 PolarHBondContact O-N 3.49Å; A196-I200 VanDerWaalsContact O-N 3.15Å; R198-I200 VanDerWaalsContact C-N 3.33Å; R198-I200 PolarHBondContact O-N 3.06Å; I200-F203 PolarHBondContact O-N 2.91Å; I200-I204 HydrophobicContact CG2-CD1 3.87Å; I200-I204 HydrophobicContact CG2-CG1 4.48Å; I200-I204 WeakPolarHBondContact O-CB 3.41Å; I200-I204 VanDerWaalsContact O-CG1 3.3Å; I200-I204 WeakPolarHBondContact O-CG1 3.47Å; I200-I204 PolarHBondContact O-N 3.37Å; I200-K228 HydrophobicContact CB-CD 4.06Å; I200-K228 HydrophobicContact CG2-CD 3.69Å; I200-K228 HydrophobicContact CG2-CG 3.9Å; I200-I281 HydrophobicContact CB-CD1 4.26Å; I200-I281 HydrophobicContact CG1-CD1 3.56Å; I200-I281 HydrophobicContact CG1-CG1 4Å; I200-F282 HydrophobicContact CD1-CD2 4.12Å; I200-F282 HydrophobicContact CD1-CE2 3.41Å; I200-F282 VanDerWaalsContact CD1-CE2 3.41Å; I200-F282 HydrophobicContact CD1-CZ 4Å; I200-F328 HydrophobicContact CD1-CE2 3.67Å; I200-F328 HydrophobicContact CD1-CZ 4.07Å; I200-F328 HydrophobicContact CG2-CZ 4.35Å
201T97.5Very high94.5Very high8 Ų850.8 Ų50.85%0.04923%0.234CC..Hα-helixtrans-68.4-43.3179.5-50.70000110.7G197 R198 D199 I204 Q205 L221 A224 K225 K228G197-T201 PolarHBondContact O-N 3.07Å; G197-T201 PolarHBondContact O-OG1 2.72Å; R198-T201 WeakPolarHBondContact O-CA 3.16Å; R198-T201 VanDerWaalsContact O-CB 3.27Å; R198-T201 WeakPolarHBondContact O-CB 3.41Å; R198-T201 PolarHBondContact O-N 3.47Å; D199-T201 PolarHBondContact O-N 3.35Å; T201-I204 PolarHBondContact O-N 2.54Å; T201-Q205 VanDerWaalsContact O-CB 3.28Å; T201-Q205 WeakPolarHBondContact O-CB 3.38Å; T201-Q205 PolarHBondContact O-N 2.94Å; T201-L221 HydrophobicContact CG2-CD1 3.78Å; T201-A224 HydrophobicContact CG2-CB 4.09Å; T201-K225 HydrophobicContact CG2-CB 3.82Å; T201-K228 WeakPolarHBondContact OG1-CD 3.39Å; T201-K228 WeakPolarHBondContact OG1-CE 3.17Å; T201-K228 PolarHBondContact OG1-NZ 3.19Å
202Y96.4Very high94.1Very high95 Ų9548.8 Ų48.837%0.37323%0.225SC..Hα-helixtrans-65.2-39.6175.4-69.4-45000112.2R198 D199 Q205 Q206 L221R198-Y202 HydrophobicContact CG-CD2 3.99Å; R198-Y202 HydrophobicContact CG-CE2 3.45Å; R198-Y202 VanDerWaalsContact CG-CE2 3.45Å; R198-Y202 WeakPolarHBondContact O-CD2 3.13Å; R198-Y202 PolarHBondContact O-N 2.88Å; D199-Y202 PolarHBondContact O-N 3.08Å; Y202-Q205 WeakPolarHBondContact O-CB 3.26Å; Y202-Q205 PolarHBondContact O-N 2.88Å; Y202-Q206 WeakPolarHBondContact O-CG 3.23Å; Y202-Q206 PolarHBondContact O-N 3.31Å; Y202-L221 HydrophobicContact CD1-CD1 3.68Å; Y202-L221 HydrophobicContact CE1-CD1 3.52Å; Y202-L221 HydrophobicContact CE1-CD2 4.27Å
203F96.8Very high93.6Very high19 Ų1951.2 Ų51.28%0.08325%0.246CC..Hα-helixtrans-63.3-47.8175.9-177.5-121.1000111.7D199 I200 Q205 Q206 L207 L277 I281 F287 A288D199-F203 WeakPolarHBondContact O-CB 3.34Å; D199-F203 PolarHBondContact O-N 3.24Å; I200-F203 PolarHBondContact O-N 2.91Å; F203-Q205 VanDerWaalsContact C-N 3.28Å; F203-Q205 PolarHBondContact O-N 3.43Å; F203-Q206 PolarHBondContact O-N 2.86Å; F203-L207 HydrophobicContact CD1-CD1 4.15Å; F203-L207 HydrophobicContact CE1-CD1 3.74Å; F203-L207 HydrophobicContact CE1-CG 4.48Å; F203-L207 HydrophobicContact CE2-CD1 4.5Å; F203-L207 HydrophobicContact CE2-CD2 4.43Å; F203-L207 HydrophobicContact CE2-CG 4.41Å; F203-L207 HydrophobicContact CZ-CD1 3.93Å; F203-L207 HydrophobicContact CZ-CD2 4.32Å; F203-L207 HydrophobicContact CZ-CG 4.29Å; F203-L207 WeakPolarHBondContact O-CG 3.24Å; F203-L207 PolarHBondContact O-N 2.93Å; F203-L277 HydrophobicContact CE1-CB 4.08Å; F203-L277 WeakPolarHBondContact CE1-O 3Å; F203-I281 HydrophobicContact CD1-CG2 3.49Å; F203-I281 VanDerWaalsContact CD1-CG2 3.49Å; F203-I281 HydrophobicContact CE1-CG2 3.53Å; F203-I281 HydrophobicContact CG-CG2 4.15Å; F203-I281 HydrophobicContact CZ-CG2 4.24Å; F203-F287 HydrophobicContact CE2-CB 4.41Å; F203-F287 VanDerWaalsContact CE2-O 3.27Å; F203-F287 WeakPolarHBondContact CE2-O 3.4Å; F203-F287 HydrophobicContact CZ-CB 3.99Å; F203-A288 HydrophobicContact CB-CB 4.32Å; F203-A288 HydrophobicContact CD2-CB 3.99Å; F203-A288 HydrophobicContact CG-CB 4.14Å
204I97.4Very high93.3Very high0 Ų053.1 Ų53.10%027%0.268CS..Hα-helixtrans-60.7-39.7174-70.7169.9000111.1I200 T201 Q206 L207 L208 A224 V227 K228 E274I200-I204 HydrophobicContact CG2-CD1 3.87Å; I200-I204 HydrophobicContact CG2-CG1 4.48Å; I200-I204 WeakPolarHBondContact O-CB 3.41Å; I200-I204 VanDerWaalsContact O-CG1 3.3Å; I200-I204 WeakPolarHBondContact O-CG1 3.47Å; I200-I204 PolarHBondContact O-N 3.37Å; T201-I204 PolarHBondContact O-N 2.54Å; I204-Q206 VanDerWaalsContact C-N 3.31Å; I204-Q206 PolarHBondContact O-N 3.25Å; I204-L207 PolarHBondContact O-N 3.16Å; I204-L208 HydrophobicContact CG2-CD1 3.82Å; I204-L208 HydrophobicContact CG2-CG 4.19Å; I204-L208 WeakPolarHBondContact O-CB 3.48Å; I204-L208 WeakPolarHBondContact O-CG 3.45Å; I204-L208 PolarHBondContact O-N 2.88Å; I204-A224 HydrophobicContact CG2-CB 4.09Å; I204-V227 HydrophobicContact CG2-CB 4.4Å; I204-V227 HydrophobicContact CG2-CG1 3.98Å; I204-K228 HydrophobicContact CD1-CB 3.57Å; I204-K228 HydrophobicContact CD1-CG 3.8Å; I204-E274 HydrophobicContact CG1-CB 4.32Å; I204-E274 HydrophobicContact CG2-CB 4.24Å; I204-E274 HydrophobicContact CG2-CG 4.39Å
205Q96.9Very high93.4Very high18 Ų1850.8 Ų50.88%0.08425%0.251CS..Hα-helixtrans-59-43.3177.1-178.3-178.343.400111.7T201 Y202 F203 L208 R209 S220 A224T201-Q205 VanDerWaalsContact O-CB 3.28Å; T201-Q205 WeakPolarHBondContact O-CB 3.38Å; T201-Q205 PolarHBondContact O-N 2.94Å; Y202-Q205 WeakPolarHBondContact O-CB 3.26Å; Y202-Q205 PolarHBondContact O-N 2.88Å; F203-Q205 VanDerWaalsContact C-N 3.28Å; F203-Q205 PolarHBondContact O-N 3.43Å; Q205-L208 PolarHBondContact O-N 3.46Å; Q205-R209 WeakPolarHBondContact O-CB 3.44Å; Q205-R209 VanDerWaalsContact O-CG 3.26Å; Q205-R209 WeakPolarHBondContact O-CG 3.1Å; Q205-R209 PolarHBondContact O-N 3.49Å; Q205-S220 WeakPolarHBondContact CG-OG 3.26Å; Q205-S220 PolarHBondContact NE2-OG 3.36Å; Q205-A224 HydrophobicContact CB-CB 3.65Å; Q205-A224 HydrophobicContact CG-CB 4.37Å
206Q95.1Very high93.3Very high117 Ų11751 Ų5155%0.54725%0.253SS..Hα-helixtrans-63.4-50.4176.4-71.3174-7.400110.9Y202 F203 I204 L208 R209 D210Y202-Q206 WeakPolarHBondContact O-CG 3.23Å; Y202-Q206 PolarHBondContact O-N 3.31Å; F203-Q206 PolarHBondContact O-N 2.86Å; I204-Q206 VanDerWaalsContact C-N 3.31Å; I204-Q206 PolarHBondContact O-N 3.25Å; Q206-L208 VanDerWaalsContact C-N 3.26Å; Q206-L208 PolarHBondContact O-N 3.21Å; Q206-R209 PolarHBondContact O-N 3.45Å; Q206-R209 VanDerWaalsContact O-N 3.12Å; Q206-D210 PolarHBondContact O-N 3.36Å
207L95Very high93.1Very high45 Ų4556.3 Ų56.324%0.23629%0.287CS..Hα-helixtrans-56.3-39.1178-66.6177.7000113F203 I204 E274 L277F203-L207 HydrophobicContact CD1-CD1 4.15Å; F203-L207 HydrophobicContact CE1-CD1 3.74Å; F203-L207 HydrophobicContact CE1-CG 4.48Å; F203-L207 HydrophobicContact CE2-CD1 4.5Å; F203-L207 HydrophobicContact CE2-CD2 4.43Å; F203-L207 HydrophobicContact CE2-CG 4.41Å; F203-L207 HydrophobicContact CZ-CD1 3.93Å; F203-L207 HydrophobicContact CZ-CD2 4.32Å; F203-L207 HydrophobicContact CZ-CG 4.29Å; F203-L207 WeakPolarHBondContact O-CG 3.24Å; F203-L207 PolarHBondContact O-N 2.93Å; I204-L207 PolarHBondContact O-N 3.16Å; L207-E274 HydrophobicContact CB-CB 4.19Å; L207-E274 HydrophobicContact CD1-CB 3.85Å; L207-L277 HydrophobicContact CD1-CB 4Å; L207-L277 HydrophobicContact CD1-CD1 4.2Å
208L96Very high92.7Very high2 Ų261 Ų611%0.0131%0.309CS..Hα-helixtrans-71.3-43.2177.4-74.1176.1000112.1I204 Q205 Q206 D210 R211 E212 I215 A224 V227 I269 E274I204-L208 HydrophobicContact CG2-CD1 3.82Å; I204-L208 HydrophobicContact CG2-CG 4.19Å; I204-L208 WeakPolarHBondContact O-CB 3.48Å; I204-L208 WeakPolarHBondContact O-CG 3.45Å; I204-L208 PolarHBondContact O-N 2.88Å; Q205-L208 PolarHBondContact O-N 3.46Å; Q206-L208 VanDerWaalsContact C-N 3.26Å; Q206-L208 PolarHBondContact O-N 3.21Å; L208-D210 VanDerWaalsContact C-N 3.25Å; L208-D210 PolarHBondContact O-N 3.13Å; L208-R211 PolarHBondContact O-N 2.99Å; L208-R211 VanDerWaalsContact O-N 3.16Å; L208-E212 HydrophobicContact CD2-CG 4.28Å; L208-E212 WeakPolarHBondContact O-CB 3.38Å; L208-E212 PolarHBondContact O-N 2.93Å; L208-I215 HydrophobicContact CB-CD1 3.74Å; L208-I215 HydrophobicContact CD1-CD1 4.21Å; L208-I215 HydrophobicContact CG-CD1 4.42Å; L208-A224 HydrophobicContact CD1-CB 4.38Å; L208-V227 HydrophobicContact CD1-CB 4.35Å; L208-V227 HydrophobicContact CD1-CG1 4.44Å; L208-V227 HydrophobicContact CD1-CG2 4.13Å; L208-I269 HydrophobicContact CD1-CD1 4.35Å; L208-I269 HydrophobicContact CD2-CD1 4.16Å; L208-E274 HydrophobicContact CD2-CG 4.05Å; L208-E274 WeakPolarHBondContact CD2-OE1 3.31Å; L208-E274 HydrophobicContact CG-CG 4.4Å
209R90.5Very high92.6Very high142 Ų14258.2 Ų58.254%0.53630%0.299SS..Hα-helixtrans-60.6-35.6-179.5-79.3174.5-179.3-169.20.9112.7Q205 Q206 R211 S220Q205-R209 WeakPolarHBondContact O-CB 3.44Å; Q205-R209 VanDerWaalsContact O-CG 3.26Å; Q205-R209 WeakPolarHBondContact O-CG 3.1Å; Q205-R209 PolarHBondContact O-N 3.49Å; Q206-R209 PolarHBondContact O-N 3.45Å; Q206-R209 VanDerWaalsContact O-N 3.12Å; R209-R211 PolarHBondContact O-N 3.01Å; R209-S220 PolarHBondContact NE-OG 2.99Å; R209-S220 PolarHBondContact NH2-OG 3.24Å
210D85.3Confident92.5Very high144 Ų14455.6 Ų55.677%0.7729%0.285SS*.THydrogen-bonded Turntrans-69.9-19.9-178.9-66.9-15.4000112.9Q206 L208Q206-D210 PolarHBondContact O-N 3.36Å; L208-D210 VanDerWaalsContact C-N 3.25Å; L208-D210 PolarHBondContact O-N 3.13Å
211R88.9Confident92.3Very high97 Ų9759.1 Ų59.137%0.36630%0.304SS..THydrogen-bonded Turntrans-116.7-38-174.3-160.4-17478.9-123.51.8114.1L208 R209 D270 E274L208-R211 PolarHBondContact O-N 2.99Å; L208-R211 VanDerWaalsContact O-N 3.16Å; R209-R211 PolarHBondContact O-N 3.01Å; R211-D270 PolarHBondContact NH2-O 3.28Å; R211-E274 IonicContact CZ-OE1 3.66Å; R211-E274 VanDerWaalsContact NH1-CD 3.31Å; R211-E274 IonicContact NH1-OE1 2.99Å; R211-E274 PolarHBondContact NH1-OE1 2.79Å; R211-E274 IonicContact NH1-OE2 2.89Å; R211-E274 PolarHBondContact NH1-OE2 2.86Å; R211-E274 IonicContact NH2-OE1 3.41Å; R211-E274 PolarHBondContact NH2-OE1 2.87Å
212E87.8Confident92.1Very high30 Ų3064.3 Ų64.314%0.1433%0.328CS..  trans-11192-166.8-60.7-62.2145.300111.8L208 G214 I215 I269 D270L208-E212 HydrophobicContact CD2-CG 4.28Å; L208-E212 WeakPolarHBondContact O-CB 3.38Å; L208-E212 PolarHBondContact O-N 2.93Å; E212-G214 PolarHBondContact O-N 3.17Å; E212-I215 HydrophobicContact CB-CD1 3.88Å; E212-I215 HydrophobicContact CB-CG1 4.03Å; E212-I269 HydrophobicContact CB-CB 4.3Å; E212-I269 HydrophobicContact CB-CG2 4.08Å; E212-I269 HydrophobicContact CG-CB 4.03Å; E212-I269 HydrophobicContact CG-CG2 4.37Å; E212-D270 PolarHBondContact OE2-N 3.3Å
213V82.7Confident92.1Very high146 Ų14659.9 Ų59.989%0.88531%0.31SS*.THydrogen-bonded Turntrans-70-15.5178.2-170.10000112.4I215V213-I215 VanDerWaalsContact C-N 3.31Å; V213-I215 PolarHBondContact O-N 2.9Å
214G87.5Confident92.1Very high46 Ų4659 Ų5947%0.47431%0.306SS..THydrogen-bonded Turntrans-76.8-9.8-17700000115.3E212 P216E212-G214 PolarHBondContact O-N 3.17Å; G214-P216 WeakPolarHBondContact O-CD 3.38Å
215I93.7Very high92.1Very high17 Ų1762 Ų629%0.08732%0.32CS..SBendtrans-75.2123.4-178.4-56.4177.2000109.4L208 E212 V213 T223 I269L208-I215 HydrophobicContact CB-CD1 3.74Å; L208-I215 HydrophobicContact CD1-CD1 4.21Å; L208-I215 HydrophobicContact CG-CD1 4.42Å; E212-I215 HydrophobicContact CB-CD1 3.88Å; E212-I215 HydrophobicContact CB-CG1 4.03Å; V213-I215 VanDerWaalsContact C-N 3.31Å; V213-I215 PolarHBondContact O-N 2.9Å; I215-T223 HydrophobicContact CD1-CG2 4.21Å; I215-T223 HydrophobicContact CG1-CG2 4.44Å; I215-T223 HydrophobicContact CG2-CG2 4.17Å; I215-I269 HydrophobicContact CD1-CD1 3.72Å; I215-I269 HydrophobicContact CD1-CG2 4.34Å; I215-I269 HydrophobicContact CG1-CD1 4Å; I215-I269 HydrophobicContact CG1-CG2 3.6Å
216P92.5Very high92.1Very high8 Ų861.9 Ų61.95%0.05232%0.321CS..  trans-57.6127.7173.4-24.435000111.3G214 E218 Q219 S220 N260 F267G214-P216 WeakPolarHBondContact O-CD 3.38Å; P216-E218 HydrophobicContact CB-CG 4.48Å; P216-E218 WeakPolarHBondContact CB-OE1 3.47Å; P216-E218 PolarHBondContact O-N 2.68Å; P216-E218 VanDerWaalsContact O-N 3.17Å; P216-Q219 HydrophobicContact CB-CB 4.28Å; P216-Q219 CarbonylContact O-C 3.55Å; P216-Q219 PolarHBondContact O-N 3.39Å; P216-S220 PolarHBondContact O-N 2.94Å; P216-S220 VanDerWaalsContact O-N 3.12Å; P216-N260 WeakPolarHBondContact CB-ND2 3.42Å; P216-N260 HydrophobicContact CG-CB 4.06Å; P216-N260 WeakPolarHBondContact CG-ND2 3.42Å; P216-F267 HydrophobicContact CG-CD1 3.75Å; P216-F267 HydrophobicContact CG-CE1 3.79Å; P216-F267 HydrophobicContact CG-CG 4.21Å; P216-F267 HydrophobicContact CG-CZ 4.29Å
217P90.3Very high92.2Very high111 Ų11156.3 Ų56.372%0.72130%0.295SS*.G310 helixtrans-53.5-39.6-177-28.835.6000113.4Q219 S220P217-Q219 VanDerWaalsContact C-N 3.3Å; P217-Q219 PolarHBondContact O-N 3.06Å; P217-S220 WeakPolarHBondContact O-CB 3.24Å; P217-S220 PolarHBondContact O-N 2.92Å
218E88.4Confident92.3Very high98 Ų9854.8 Ų54.846%0.45829%0.287SS..G310 helixtrans-67.5-24.9178.867.2-81.2-170.100113.9P216 N260 I262P216-E218 HydrophobicContact CB-CG 4.48Å; P216-E218 WeakPolarHBondContact CB-OE1 3.47Å; P216-E218 PolarHBondContact O-N 2.68Å; P216-E218 VanDerWaalsContact O-N 3.17Å; E218-N260 PolarHBondContact OE1-ND2 3.34Å; E218-I262 HydrophobicContact CG-CD1 3.98Å; E218-I262 HydrophobicContact CG-CG1 4.44Å
219Q91.9Very high92.4Very high19 Ų1960.1 Ų60.19%0.08931%0.312CS..G310 helixtrans-107.711.8179.1-71.7175-73.700112.9P216 P217 L221 E222 T223 I259 A261P216-Q219 HydrophobicContact CB-CB 4.28Å; P216-Q219 CarbonylContact O-C 3.55Å; P216-Q219 PolarHBondContact O-N 3.39Å; P217-Q219 VanDerWaalsContact C-N 3.3Å; P217-Q219 PolarHBondContact O-N 3.06Å; Q219-L221 VanDerWaalsContact C-N 3.31Å; Q219-L221 PolarHBondContact O-N 3Å; Q219-E222 PolarHBondContact NE2-OE2 2.93Å; Q219-E222 PolarHBondContact O-N 2.94Å; Q219-T223 VanDerWaalsContact O-CB 3.27Å; Q219-T223 WeakPolarHBondContact O-CB 3.33Å; Q219-T223 PolarHBondContact O-N 3.42Å; Q219-T223 PolarHBondContact O-OG1 3.44Å; Q219-I259 PolarHBondContact NE2-O 2.84Å; Q219-I259 PolarHBondContact OE1-O 3.34Å; Q219-A261 HydrophobicContact CG-CB 4.39Å
220S94.1Very high92.7Very high5 Ų561.2 Ų61.24%0.03532%0.316CS..Hα-helixtrans-58.3-41.8-175.8177.20000112.5Q205 R209 P216 P217 A224Q205-S220 WeakPolarHBondContact CG-OG 3.26Å; Q205-S220 PolarHBondContact NE2-OG 3.36Å; R209-S220 PolarHBondContact NE-OG 2.99Å; R209-S220 PolarHBondContact NH2-OG 3.24Å; P216-S220 PolarHBondContact O-N 2.94Å; P216-S220 VanDerWaalsContact O-N 3.12Å; P217-S220 WeakPolarHBondContact O-CB 3.24Å; P217-S220 PolarHBondContact O-N 2.92Å; S220-A224 WeakPolarHBondContact O-CB 3.34Å; S220-A224 PolarHBondContact O-N 3.5Å; S220-A224 VanDerWaalsContact O-N 3.14Å
221L93.5Very high93.2Very high75 Ų7557 Ų5739%0.39329%0.289SS..Hα-helixtrans-74.8-42-179.5-172.365.1000112.2T201 Y202 Q219 T223 A224 K225T201-L221 HydrophobicContact CG2-CD1 3.78Å; Y202-L221 HydrophobicContact CD1-CD1 3.68Å; Y202-L221 HydrophobicContact CE1-CD1 3.52Å; Y202-L221 HydrophobicContact CE1-CD2 4.27Å; Q219-L221 VanDerWaalsContact C-N 3.31Å; Q219-L221 PolarHBondContact O-N 3Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 3.34Å; L221-A224 PolarHBondContact O-N 2.85Å; L221-K225 WeakPolarHBondContact O-CB 3.47Å; L221-K225 PolarHBondContact O-N 2.91Å
222E93.2Very high93.7Very high117 Ų11753 Ų5355%0.54728%0.277SS..Hα-helixtrans-60.7-43.9176.6-172.8-169.8177.100111Q219 K225 A226Q219-E222 PolarHBondContact NE2-OE2 2.93Å; Q219-E222 PolarHBondContact O-N 2.94Å; E222-K225 WeakPolarHBondContact O-CB 3.33Å; E222-K225 PolarHBondContact O-N 3.44Å; E222-A226 WeakPolarHBondContact O-CB 3.5Å; E222-A226 PolarHBondContact O-N 2.91Å
223T96Very high94.2Very high1 Ų152 Ų521%0.00627%0.272CS..Hα-helixtrans-61.8-47.1176.5-59.50000111I215 Q219 L221 K225 A226 V227 Y256 F267 I269I215-T223 HydrophobicContact CD1-CG2 4.21Å; I215-T223 HydrophobicContact CG1-CG2 4.44Å; I215-T223 HydrophobicContact CG2-CG2 4.17Å; Q219-T223 VanDerWaalsContact O-CB 3.27Å; Q219-T223 WeakPolarHBondContact O-CB 3.33Å; Q219-T223 PolarHBondContact O-N 3.42Å; Q219-T223 PolarHBondContact O-OG1 3.44Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 3.34Å; T223-K225 VanDerWaalsContact C-N 3.31Å; T223-K225 PolarHBondContact O-N 3.17Å; T223-A226 PolarHBondContact O-N 2.82Å; T223-V227 WeakPolarHBondContact O-CB 3.42Å; T223-V227 WeakPolarHBondContact O-CG2 3.5Å; T223-V227 PolarHBondContact O-N 2.67Å; T223-Y256 HydrophobicContact CG2-CD1 3.95Å; T223-Y256 HydrophobicContact CG2-CE1 3.78Å; T223-F267 HydrophobicContact CG2-CE2 4.3Å; T223-I269 HydrophobicContact CG2-CD1 3.67Å
224A97.6Very high94.9Very high0 Ų045.1 Ų45.10%023%0.23CC..Hα-helixtrans-60.7-40.2177.100000112.2T201 I204 Q205 L208 S220 L221 V227 K228T201-A224 HydrophobicContact CG2-CB 4.09Å; I204-A224 HydrophobicContact CG2-CB 4.09Å; Q205-A224 HydrophobicContact CB-CB 3.65Å; Q205-A224 HydrophobicContact CG-CB 4.37Å; L208-A224 HydrophobicContact CD1-CB 4.38Å; S220-A224 WeakPolarHBondContact O-CB 3.34Å; S220-A224 PolarHBondContact O-N 3.5Å; S220-A224 VanDerWaalsContact O-N 3.14Å; L221-A224 PolarHBondContact O-N 2.85Å; A224-V227 PolarHBondContact O-N 2.98Å; A224-K228 WeakPolarHBondContact O-CB 3.28Å; A224-K228 PolarHBondContact O-N 3.47Å
225K96.7Very high95.3Very high65 Ų6543 Ų4328%0.28321%0.207SC..Hα-helixtrans-64.5-45.7175.4-176.9-180178.9177.60111.9Y16 T201 L221 E222 T223 V227 K228 E229Y16-K225 WeakPolarHBondContact OH-CE 3.01Å; Y16-K225 PolarHBondContact OH-NZ 3.14Å; T201-K225 HydrophobicContact CG2-CB 3.82Å; L221-K225 WeakPolarHBondContact O-CB 3.47Å; L221-K225 PolarHBondContact O-N 2.91Å; E222-K225 WeakPolarHBondContact O-CB 3.33Å; E222-K225 PolarHBondContact O-N 3.44Å; T223-K225 VanDerWaalsContact C-N 3.31Å; T223-K225 PolarHBondContact O-N 3.17Å; K225-V227 VanDerWaalsContact C-N 3.31Å; K225-V227 PolarHBondContact O-N 2.54Å; K225-K228 WeakPolarHBondContact O-CB 3.39Å; K225-K228 PolarHBondContact O-N 2.91Å; K225-E229 WeakPolarHBondContact CE-OE1 3.37Å; K225-E229 WeakPolarHBondContact CG-OE1 3.47Å; K225-E229 WeakPolarHBondContact O-CG 3.38Å; K225-E229 PolarHBondContact O-N 2.87Å
226A97Very high95.3Very high14 Ų1445.7 Ų45.712%0.11623%0.226CC..Hα-helixtrans-62-40.7176.700000111.5E222 T223 R230 Y256E222-A226 WeakPolarHBondContact O-CB 3.5Å; E222-A226 PolarHBondContact O-N 2.91Å; T223-A226 PolarHBondContact O-N 2.82Å; A226-R230 VanDerWaalsContact O-CB 3.25Å; A226-R230 WeakPolarHBondContact O-CB 3.36Å; A226-R230 WeakPolarHBondContact O-CG 3.33Å; A226-R230 PolarHBondContact O-N 3.38Å; A226-Y256 HydrophobicContact CB-CE2 3.72Å
227V97.8Very high95.5Very high0 Ų047.8 Ų47.80%024%0.237CC..Hα-helixtrans-61.8-48.8174.7165.10000111.1I204 L208 T223 A224 K225 E229 R230 Y231 Y256 I269 V271 E274I204-V227 HydrophobicContact CG2-CB 4.4Å; I204-V227 HydrophobicContact CG2-CG1 3.98Å; L208-V227 HydrophobicContact CD1-CB 4.35Å; L208-V227 HydrophobicContact CD1-CG1 4.44Å; L208-V227 HydrophobicContact CD1-CG2 4.13Å; T223-V227 WeakPolarHBondContact O-CB 3.42Å; T223-V227 WeakPolarHBondContact O-CG2 3.5Å; T223-V227 PolarHBondContact O-N 2.67Å; A224-V227 PolarHBondContact O-N 2.98Å; K225-V227 VanDerWaalsContact C-N 3.31Å; K225-V227 PolarHBondContact O-N 2.54Å; V227-E229 PolarHBondContact O-N 3.5Å; V227-R230 PolarHBondContact O-N 3.33Å; V227-Y231 HydrophobicContact CB-CD2 4.47Å; V227-Y231 HydrophobicContact CG1-CD2 4.38Å; V227-Y231 HydrophobicContact CG2-CD2 4.42Å; V227-Y231 WeakPolarHBondContact O-CB 3.46Å; V227-Y231 PolarHBondContact O-N 2.93Å; V227-Y256 HydrophobicContact CG2-CG 4.26Å; V227-I269 HydrophobicContact CG2-CD1 4.39Å; V227-V271 HydrophobicContact CG1-CG1 3.59Å; V227-V271 HydrophobicContact CG2-CG1 4.5Å; V227-V271 HydrophobicContact CG2-CG2 3.98Å; V227-E274 HydrophobicContact CG1-CG 4.16Å
228K97.9Very high95.7Very high14 Ų1443.7 Ų43.76%0.06121%0.209CC..Hα-helixtrans-53.4-53.4176.2-176.6-170.770.2179.70111.6G197 I200 T201 I204 A224 K225 R230 S232 F328G197-K228 PolarHBondContact O-NZ 3.28Å; I200-K228 HydrophobicContact CB-CD 4.06Å; I200-K228 HydrophobicContact CG2-CD 3.69Å; I200-K228 HydrophobicContact CG2-CG 3.9Å; T201-K228 WeakPolarHBondContact OG1-CD 3.39Å; T201-K228 WeakPolarHBondContact OG1-CE 3.17Å; T201-K228 PolarHBondContact OG1-NZ 3.19Å; I204-K228 HydrophobicContact CD1-CB 3.57Å; I204-K228 HydrophobicContact CD1-CG 3.8Å; A224-K228 WeakPolarHBondContact O-CB 3.28Å; A224-K228 PolarHBondContact O-N 3.47Å; K225-K228 WeakPolarHBondContact O-CB 3.39Å; K225-K228 PolarHBondContact O-N 2.91Å; K228-R230 PolarHBondContact O-N 3.15Å; K228-S232 WeakPolarHBondContact CA-OG 3.43Å; K228-S232 WeakPolarHBondContact O-CB 3.28Å; K228-S232 PolarHBondContact O-N 3.32Å; K228-S232 PolarHBondContact O-OG 3.32Å; K228-F328 HydrophobicContact CD-CZ 4.27Å; K228-F328 HydrophobicContact CG-CE1 4Å; K228-F328 HydrophobicContact CG-CZ 3.91Å
229E96.5Very high96Very high114 Ų11443.8 Ų43.853%0.53322%0.216SC..Hα-helixtrans-72.9-29-172.7-69.4175.3-170.100113K225 V227K225-E229 WeakPolarHBondContact CE-OE1 3.37Å; K225-E229 WeakPolarHBondContact CG-OE1 3.47Å; K225-E229 WeakPolarHBondContact O-CG 3.38Å; K225-E229 PolarHBondContact O-N 2.87Å; V227-E229 PolarHBondContact O-N 3.5Å
230R97.1Very high96.2Very high164 Ų16449.1 Ų49.162%0.61924%0.239SC*.Hα-helixtrans-92.7-35.6-176.8-66.9178.1-176.9-168.34114.1A226 V227 K228A226-R230 VanDerWaalsContact O-CB 3.25Å; A226-R230 WeakPolarHBondContact O-CB 3.36Å; A226-R230 WeakPolarHBondContact O-CG 3.33Å; A226-R230 PolarHBondContact O-N 3.38Å; V227-R230 PolarHBondContact O-N 3.33Å; K228-R230 PolarHBondContact O-N 3.15Å
231Y97.5Very high96.3Very high55 Ų5549.2 Ų49.222%0.21624%0.239CC..Hα-helixtrans-120.1-13.3-165.2-57.2-60.4000114.8V227 Y233 K254 Q255 Y256 V271 R275V227-Y231 HydrophobicContact CB-CD2 4.47Å; V227-Y231 HydrophobicContact CG1-CD2 4.38Å; V227-Y231 HydrophobicContact CG2-CD2 4.42Å; V227-Y231 WeakPolarHBondContact O-CB 3.46Å; V227-Y231 PolarHBondContact O-N 2.93Å; Y231-Y233 WeakPolarHBondContact O-CD1 3.33Å; Y231-K254 HydrophobicContact CD1-CB 4.34Å; Y231-K254 HydrophobicContact CD1-CG 4.45Å; Y231-K254 HydrophobicContact CE1-CB 4.32Å; Y231-Q255 PolarHBondContact OH-O 2.96Å; Y231-Q255 VanDerWaalsContact OH-O 3.06Å; Y231-Y256 AromaticContact CE2-CD2 3.97Å; Y231-Y256 HydrophobicContact CE2-CD2 3.97Å; Y231-Y256 HydrophobicContact CE2-CG 4.41Å; Y231-V271 HydrophobicContact CD2-CB 4.38Å; Y231-V271 HydrophobicContact CD2-CG1 3.89Å; Y231-V271 HydrophobicContact CD2-CG2 4.17Å; Y231-V271 HydrophobicContact CE2-CG2 4.2Å; Y231-V271 HydrophobicContact CG-CG1 4.2Å; Y231-R275 PolarHBondContact O-NE 3.46Å
232S97.9Very high96.4Very high14 Ų1448.6 Ų48.610%0.09823%0.233CC..  trans-81146.7-173.7-630000114.1K228 R275K228-S232 WeakPolarHBondContact CA-OG 3.43Å; K228-S232 WeakPolarHBondContact O-CB 3.28Å; K228-S232 PolarHBondContact O-N 3.32Å; K228-S232 PolarHBondContact O-OG 3.32Å; S232-R275 CarbonylContact C-O 3.51Å; S232-R275 WeakPolarHBondContact CA-O 3.43Å; S232-R275 VanDerWaalsContact CB-O 3.26Å; S232-R275 WeakPolarHBondContact CB-O 3.22Å; S232-R275 PolarHBondContact OG-O 3.47Å
233Y97.9Very high96.6Very high10 Ų1047.2 Ų47.24%0.03923%0.229CC..BIsolated β-bridgetrans-155.2159.5-179.260.2-83000110.3Y231 C235 E241 Y245 R275 F276Y231-Y233 WeakPolarHBondContact O-CD1 3.33Å; Y233-C235 HydrophobicContact CE2-CB 4.46Å; Y233-E241 PolarHBondContact OH-OE1 2.94Å; Y233-Y245 WeakPolarHBondContact OH-CE2 3.15Å; Y233-Y245 PolarHBondContact OH-OH 2.99Å; Y233-R275 HydrophobicContact CD1-CB 4.22Å; Y233-R275 HydrophobicContact CE1-CB 3.67Å; Y233-R275 PolarHBondContact N-O 2.85Å; Y233-F276 HydrophobicContact CE2-CB 4.01Å; Y233-F276 WeakPolarHBondContact O-CA 3.23Å
234V98.1Very high96.5Very high0 Ų051 Ų510%025%0.246CC..  trans-90.1130.7173.1176.80000109.2P279 F283 F328 R329 F331 R334V234-P279 HydrophobicContact CG2-CB 3.72Å; V234-F283 HydrophobicContact CG1-CD2 4.24Å; V234-F283 HydrophobicContact CG1-CE2 3.7Å; V234-F283 HydrophobicContact CG1-CZ 4.34Å; V234-F283 HydrophobicContact CG2-CE2 4.06Å; V234-F328 HydrophobicContact CG2-CB 4.05Å; V234-R329 PolarHBondContact N-O 3.08Å; V234-F331 HydrophobicContact CG2-CB 3.93Å; V234-F331 HydrophobicContact CG2-CD2 3.85Å; V234-F331 HydrophobicContact CG2-CG 4.37Å; V234-R334 HydrophobicContact CG1-CB 3.52Å; V234-R334 HydrophobicContact CG1-CG 3.61Å
235C96.2Very high96.4Very high1 Ų151.3 Ų51.31%0.00725%0.247CC..  trans-90.7153.2175.874.90000111Y233 E241 F276 R334Y233-C235 HydrophobicContact CE2-CB 4.46Å; C235-E241 HydrophobicContact CB-CB 3.95Å; C235-E241 HydrophobicContact CB-CG 3.72Å; C235-F276 HydrophobicContact CB-CB 4.23Å; C235-R334 PolarHBondContact O-NH1 3.45Å
236P94.2Very high96.3Very high74 Ų7452.8 Ų52.848%0.48126%0.258SS..SBendtrans-75.8-29.8176.128.5-33.6000113.1R337P236-R337 VanDerWaalsContact O-CZ 3.29Å; P236-R337 PolarHBondContact O-NH1 3.43Å; P236-R337 PolarHBondContact O-NH2 3.47Å
237D95.2Very high96.1Very high53 Ų5358 Ų5828%0.28329%0.289SS..  trans-151.2109.8-171-178.9-41000107.8V239 K240 E241D237-V239 PolarHBondContact O-N 3.15Å; D237-V239 PolarHBondContact OD1-N 3.16Å; D237-K240 HydrophobicContact CB-CB 4.09Å; D237-K240 HydrophobicContact CB-CD 4.06Å; D237-K240 HydrophobicContact CB-CG 4.29Å; D237-K240 PolarHBondContact O-N 2.88Å; D237-K240 PolarHBondContact OD1-N 2.92Å; D237-K240 VanDerWaalsContact OD2-CD 3.3Å; D237-K240 WeakPolarHBondContact OD2-CD 3.5Å; D237-K240 WeakPolarHBondContact OD2-CE 3.16Å; D237-K240 IonicContact OD2-NZ 3.08Å; D237-K240 PolarHBondContact OD2-NZ 3.12Å; D237-E241 PolarHBondContact O-N 2.98Å
238L94.6Very high95.8Very high25 Ų2560.9 Ų60.913%0.13130%0.304CS..Hα-helixtrans-62.4-45.1-170.8-176.560.7000112.1K240 E241 F242 F276 L277 E280 F287L238-K240 PolarHBondContact O-N 3.3Å; L238-E241 PolarHBondContact O-N 3.04Å; L238-E241 VanDerWaalsContact O-N 3.11Å; L238-F242 HydrophobicContact CD1-CD2 4.04Å; L238-F242 HydrophobicContact CD1-CE2 3.66Å; L238-F242 HydrophobicContact CD2-CE2 4.22Å; L238-F242 HydrophobicContact CG-CD2 3.94Å; L238-F242 HydrophobicContact CG-CE2 3.71Å; L238-F242 VanDerWaalsContact O-CD2 3.28Å; L238-F242 WeakPolarHBondContact O-CD2 3.41Å; L238-F242 PolarHBondContact O-N 3.33Å; L238-F276 HydrophobicContact CD1-CD2 3.67Å; L238-F276 HydrophobicContact CD1-CE2 3.55Å; L238-L277 HydrophobicContact CD1-CD2 4Å; L238-E280 HydrophobicContact CD1-CG 4.08Å; L238-E280 HydrophobicContact CD2-CG 4.26Å; L238-F287 HydrophobicContact CD2-CE2 3.72Å; L238-F287 HydrophobicContact CD2-CZ 3.68Å
239V95.8Very high95.3Very high100 Ų10061.1 Ų61.161%0.60631%0.311SS*.Hα-helixtrans-63.9-43-178.7179.20000110.6D237 E241 F242 N243D237-V239 PolarHBondContact O-N 3.15Å; D237-V239 PolarHBondContact OD1-N 3.16Å; V239-E241 VanDerWaalsContact C-N 3.29Å; V239-E241 PolarHBondContact O-N 3.28Å; V239-F242 PolarHBondContact O-N 3.43Å; V239-N243 PolarHBondContact O-N 3.49Å; V239-N243 VanDerWaalsContact O-N 3.16Å; V239-N243 PolarHBondContact O-ND2 3.32Å; V239-N243 VanDerWaalsContact O-ND2 3.12Å
240K96.1Very high95Very high130 Ų13061 Ų6157%0.56532%0.322SS*.Hα-helixtrans-65.7-34.5174.9-71.3179-170.4141.30112.3D237 L238 K244D237-K240 HydrophobicContact CB-CB 4.09Å; D237-K240 HydrophobicContact CB-CD 4.06Å; D237-K240 HydrophobicContact CB-CG 4.29Å; D237-K240 PolarHBondContact O-N 2.88Å; D237-K240 PolarHBondContact OD1-N 2.92Å; D237-K240 VanDerWaalsContact OD2-CD 3.3Å; D237-K240 WeakPolarHBondContact OD2-CD 3.5Å; D237-K240 WeakPolarHBondContact OD2-CE 3.16Å; D237-K240 IonicContact OD2-NZ 3.08Å; D237-K240 PolarHBondContact OD2-NZ 3.12Å; L238-K240 PolarHBondContact O-N 3.3Å; K240-K244 WeakPolarHBondContact O-CG 3.48Å; K240-K244 PolarHBondContact O-N 3.26Å
241E96.4Very high94.8Very high7 Ų759 Ų593%0.03332%0.318CS..Hα-helixtrans-67.3-44.8178.1-148.165-145.300111.2Y233 C235 D237 L238 V239 N243 K244 Y245 F276Y233-E241 PolarHBondContact OH-OE1 2.94Å; C235-E241 HydrophobicContact CB-CB 3.95Å; C235-E241 HydrophobicContact CB-CG 3.72Å; D237-E241 PolarHBondContact O-N 2.98Å; L238-E241 PolarHBondContact O-N 3.04Å; L238-E241 VanDerWaalsContact O-N 3.11Å; V239-E241 VanDerWaalsContact C-N 3.29Å; V239-E241 PolarHBondContact O-N 3.28Å; E241-N243 PolarHBondContact O-N 3.31Å; E241-K244 VanDerWaalsContact CD-NZ 3.27Å; E241-K244 WeakPolarHBondContact O-CB 3.17Å; E241-K244 PolarHBondContact O-N 3.1Å; E241-K244 IonicContact OE1-NZ 2.66Å; E241-K244 PolarHBondContact OE1-NZ 2.93Å; E241-K244 VanDerWaalsContact OE1-NZ 3.1Å; E241-K244 IonicContact OE2-NZ 2.7Å; E241-K244 PolarHBondContact OE2-NZ 2.94Å; E241-Y245 HydrophobicContact CG-CE2 4.42Å; E241-Y245 WeakPolarHBondContact O-CD2 3.48Å; E241-Y245 PolarHBondContact O-N 3.39Å; E241-F276 HydrophobicContact CB-CD2 4.38Å; E241-F276 HydrophobicContact CB-CE2 4.38Å; E241-F276 HydrophobicContact CB-CG 4.46Å; E241-F276 HydrophobicContact CB-CZ 4.46Å; E241-F276 HydrophobicContact CG-CB 4.37Å; E241-F276 HydrophobicContact CG-CD1 3.8Å; E241-F276 HydrophobicContact CG-CD2 4.32Å; E241-F276 HydrophobicContact CG-CE1 4.1Å; E241-F276 HydrophobicContact CG-CG 3.91Å
242F95.5Very high94.6Very high63 Ų6360 Ų6028%0.27632%0.322SS..Hα-helixtrans-54-52.2172.6-85.3-69.2000112.4L238 V239 K244 Y245 D246 Y273 F276 L277L238-F242 HydrophobicContact CD1-CD2 4.04Å; L238-F242 HydrophobicContact CD1-CE2 3.66Å; L238-F242 HydrophobicContact CD2-CE2 4.22Å; L238-F242 HydrophobicContact CG-CD2 3.94Å; L238-F242 HydrophobicContact CG-CE2 3.71Å; L238-F242 VanDerWaalsContact O-CD2 3.28Å; L238-F242 WeakPolarHBondContact O-CD2 3.41Å; L238-F242 PolarHBondContact O-N 3.33Å; V239-F242 PolarHBondContact O-N 3.43Å; F242-K244 PolarHBondContact O-N 2.89Å; F242-K244 VanDerWaalsContact O-N 3.09Å; F242-Y245 PolarHBondContact O-N 3.17Å; F242-D246 PolarHBondContact O-N 3.29Å; F242-Y273 AromaticContact CD1-CD1 3.99Å; F242-Y273 HydrophobicContact CD1-CD1 3.99Å; F242-Y273 AromaticContact CD1-CE1 3.98Å; F242-Y273 HydrophobicContact CD1-CE1 3.98Å; F242-Y273 HydrophobicContact CE1-CD1 4.08Å; F242-Y273 HydrophobicContact CE1-CE1 4.38Å; F242-Y273 HydrophobicContact CE1-CG 4.24Å; F242-F276 HydrophobicContact CD1-CE2 4.4Å; F242-F276 AromaticContact CD1-CZ 3.92Å; F242-F276 HydrophobicContact CD1-CZ 3.92Å; F242-F276 HydrophobicContact CD2-CE2 4.18Å; F242-F276 HydrophobicContact CD2-CZ 4.41Å; F242-F276 HydrophobicContact CE1-CE2 4.22Å; F242-F276 AromaticContact CE1-CZ 3.97Å; F242-F276 HydrophobicContact CE1-CZ 3.97Å; F242-F276 HydrophobicContact CE2-CE2 4.01Å; F242-F276 HydrophobicContact CE2-CZ 4.47Å; F242-F276 HydrophobicContact CG-CE2 4.38Å; F242-F276 HydrophobicContact CG-CZ 4.15Å; F242-F276 HydrophobicContact CZ-CE2 4.04Å; F242-F276 HydrophobicContact CZ-CZ 4.27Å; F242-L277 HydrophobicContact CE1-CD1 4.41Å; F242-L277 HydrophobicContact CE2-CD2 4.15Å; F242-L277 HydrophobicContact CZ-CD1 4.1Å; F242-L277 HydrophobicContact CZ-CD2 3.75Å; F242-L277 HydrophobicContact CZ-CG 4.29Å
243N96.6Very high94.5Very high87 Ų8762.3 Ų62.347%0.46533%0.332SS..Hα-helixtrans-56.6-32.5-178.9-73-36.4000113.3V239 E241 T247V239-N243 PolarHBondContact O-N 3.49Å; V239-N243 VanDerWaalsContact O-N 3.16Å; V239-N243 PolarHBondContact O-ND2 3.32Å; V239-N243 VanDerWaalsContact O-ND2 3.12Å; E241-N243 PolarHBondContact O-N 3.31Å; N243-T247 VanDerWaalsContact O-CB 3.27Å; N243-T247 WeakPolarHBondContact O-CB 3.16Å; N243-T247 PolarHBondContact O-N 3.02Å; N243-T247 PolarHBondContact O-OG1 3.39Å
244K94.6Very high94.4Very high80 Ų8066 Ų6635%0.34835%0.349SS..Hα-helixtrans-64.7-44.3176.2-70.4168.8-173.1167.40111.9K240 E241 F242 D248 W252K240-K244 WeakPolarHBondContact O-CG 3.48Å; K240-K244 PolarHBondContact O-N 3.26Å; E241-K244 VanDerWaalsContact CD-NZ 3.27Å; E241-K244 WeakPolarHBondContact O-CB 3.17Å; E241-K244 PolarHBondContact O-N 3.1Å; E241-K244 IonicContact OE1-NZ 2.66Å; E241-K244 PolarHBondContact OE1-NZ 2.93Å; E241-K244 VanDerWaalsContact OE1-NZ 3.1Å; E241-K244 IonicContact OE2-NZ 2.7Å; E241-K244 PolarHBondContact OE2-NZ 2.94Å; F242-K244 PolarHBondContact O-N 2.89Å; F242-K244 VanDerWaalsContact O-N 3.09Å; K244-D248 PolarHBondContact O-N 3.3Å; K244-D248 VanDerWaalsContact O-N 3.11Å; K244-W252 HydrophobicContact CD-CZ2 4.29Å; K244-W252 PolarHBondContact O-NE1 3.26Å
245Y94.7Very high94.2Very high8 Ų870.8 Ų70.83%0.03137%0.371CS..Hα-helixtrans-70.8-38.2180-82.4-107.5000111.2Y233 E241 F242 G249 W252 G272 Y273 R275 F276Y233-Y245 WeakPolarHBondContact OH-CE2 3.15Å; Y233-Y245 PolarHBondContact OH-OH 2.99Å; E241-Y245 HydrophobicContact CG-CE2 4.42Å; E241-Y245 WeakPolarHBondContact O-CD2 3.48Å; E241-Y245 PolarHBondContact O-N 3.39Å; F242-Y245 PolarHBondContact O-N 3.17Å; Y245-G249 WeakPolarHBondContact O-CA 3.37Å; Y245-G249 PolarHBondContact O-N 3.25Å; Y245-W252 HydrophobicContact CD1-CB 3.75Å; Y245-W252 HydrophobicContact CD2-CB 4.02Å; Y245-W252 HydrophobicContact CD2-CG 4.34Å; Y245-W252 HydrophobicContact CE1-CB 3.7Å; Y245-W252 HydrophobicContact CE2-CB 3.96Å; Y245-W252 HydrophobicContact CE2-CG 4.42Å; Y245-W252 HydrophobicContact CG-CB 3.93Å; Y245-G272 VanDerWaalsContact CE1-O 3.31Å; Y245-G272 WeakPolarHBondContact CE1-O 3.47Å; Y245-G272 PolarHBondContact OH-O 3.16Å; Y245-Y273 HydrophobicContact CD1-CD1 4.05Å; Y245-Y273 HydrophobicContact CD1-CE1 4.27Å; Y245-Y273 AromaticContact CG-CD1 3.99Å; Y245-Y273 HydrophobicContact CG-CD1 3.99Å; Y245-Y273 HydrophobicContact CG-CE1 4.02Å; Y245-R275 PolarHBondContact OH-NH1 3.34Å; Y245-F276 HydrophobicContact CD2-CD1 4.38Å; Y245-F276 AromaticContact CD2-CE1 3.74Å; Y245-F276 HydrophobicContact CD2-CE1 3.74Å; Y245-F276 HydrophobicContact CE1-CE1 4.49Å; Y245-F276 AromaticContact CE2-CD1 3.73Å; Y245-F276 HydrophobicContact CE2-CD1 3.73Å; Y245-F276 AromaticContact CE2-CE1 3.54Å; Y245-F276 HydrophobicContact CE2-CE1 3.54Å; Y245-F276 HydrophobicContact CG-CE1 4.29Å; Y245-F276 AromaticContact CZ-CD1 3.98Å; Y245-F276 AromaticContact CZ-CE1 3.92Å
246D94.2Very high94.2Very high95 Ų9571.7 Ų71.751%0.50837%0.374SS..Hα-helixtrans-69.4-36.2179.2-63.6-8.5000112F242 Y273F242-D246 PolarHBondContact O-N 3.29Å; D246-Y273 PolarHBondContact OD1-OH 3.28Å
247T94.4Very high94.3Very high124 Ų12471.2 Ų71.276%0.76137%0.37SS*.Hα-helixtrans-77.2-36.3-179.8-540000112.4N243N243-T247 VanDerWaalsContact O-CB 3.27Å; N243-T247 WeakPolarHBondContact O-CB 3.16Å; N243-T247 PolarHBondContact O-N 3.02Å; N243-T247 PolarHBondContact O-OG1 3.39Å
248D90.9Very high94.2Very high60 Ų6069.1 Ų69.132%0.32136%0.361SS..  trans-144.359.2-171.8-1692.1000111.7K244 S250 K251K244-D248 PolarHBondContact O-N 3.3Å; K244-D248 VanDerWaalsContact O-N 3.11Å; D248-S250 VanDerWaalsContact C-N 3.28Å; D248-S250 PolarHBondContact O-N 3.38Å; D248-S250 PolarHBondContact OD1-OG 3.19Å; D248-K251 HydrophobicContact CB-CB 4.4Å; D248-K251 VanDerWaalsContact CG-CB 3.44Å; D248-K251 PolarHBondContact O-N 2.95Å; D248-K251 VanDerWaalsContact O-N 3.16Å; D248-K251 WeakPolarHBondContact OD1-CB 3.25Å; D248-K251 WeakPolarHBondContact OD2-CB 3.37Å; D248-K251 WeakPolarHBondContact OD2-CD 3.23Å
249G87.4Confident94.2Very high20 Ų2073.2 Ų73.221%0.20638%0.382CS..Hα-helixtrans-55-41-175.100000113.4Y245 K251 W252 I253Y245-G249 WeakPolarHBondContact O-CA 3.37Å; Y245-G249 PolarHBondContact O-N 3.25Å; G249-K251 PolarHBondContact O-N 3.27Å; G249-W252 PolarHBondContact O-N 2.9Å; G249-W252 VanDerWaalsContact O-N 3.13Å; G249-I253 VanDerWaalsContact O-CB 3.27Å; G249-I253 WeakPolarHBondContact O-CB 3.09Å; G249-I253 WeakPolarHBondContact O-CD1 3.37Å; G249-I253 WeakPolarHBondContact O-CG1 3.32Å; G249-I253 PolarHBondContact O-N 2.83Å
250S89.2Confident94Very high111 Ų11169.6 Ų69.678%0.77636%0.359SS*.Hα-helixtrans-63-27-17861.10000113.8D248D248-S250 VanDerWaalsContact C-N 3.28Å; D248-S250 PolarHBondContact O-N 3.38Å; D248-S250 PolarHBondContact OD1-OG 3.19Å
251K93.2Very high93.5Very high122 Ų12265.8 Ų65.853%0.5335%0.352SS..Hα-helixtrans-76.9-36.3175.7-179.4176.5178.9176.20113D248 G249D248-K251 HydrophobicContact CB-CB 4.4Å; D248-K251 VanDerWaalsContact CG-CB 3.44Å; D248-K251 PolarHBondContact O-N 2.95Å; D248-K251 VanDerWaalsContact O-N 3.16Å; D248-K251 WeakPolarHBondContact OD1-CB 3.25Å; D248-K251 WeakPolarHBondContact OD2-CB 3.37Å; D248-K251 WeakPolarHBondContact OD2-CD 3.23Å; G249-K251 PolarHBondContact O-N 3.27Å
252W94Very high93.1Very high76 Ų7671.5 Ų71.529%0.28838%0.381SS..Hα-helixtrans-100.2-27.7-169.9-60.5108.9000113.8K244 Y245 G249 K254 R275K244-W252 HydrophobicContact CD-CZ2 4.29Å; K244-W252 PolarHBondContact O-NE1 3.26Å; Y245-W252 HydrophobicContact CD1-CB 3.75Å; Y245-W252 HydrophobicContact CD2-CB 4.02Å; Y245-W252 HydrophobicContact CD2-CG 4.34Å; Y245-W252 HydrophobicContact CE1-CB 3.7Å; Y245-W252 HydrophobicContact CE2-CB 3.96Å; Y245-W252 HydrophobicContact CE2-CG 4.42Å; Y245-W252 HydrophobicContact CG-CB 3.93Å; G249-W252 PolarHBondContact O-N 2.9Å; G249-W252 VanDerWaalsContact O-N 3.13Å; W252-K254 PolarHBondContact O-N 3.31Å; W252-R275 PolarHBondContact O-NH1 2.8Å
253I94.9Very high92.8Very high62 Ų6271.5 Ų71.532%0.31839%0.389SS..  trans-64.3134.5171.2-66.6167.9000108.7G249 D270G249-I253 VanDerWaalsContact O-CB 3.27Å; G249-I253 WeakPolarHBondContact O-CB 3.09Å; G249-I253 WeakPolarHBondContact O-CD1 3.37Å; G249-I253 WeakPolarHBondContact O-CG1 3.32Å; G249-I253 PolarHBondContact O-N 2.83Å; I253-D270 HydrophobicContact CG2-CB 3.65Å; I253-D270 WeakPolarHBondContact CG2-OD1 3.13Å
254K95.7Very high92.5Very high89 Ų8974.8 Ų74.839%0.38740%0.399SS..EExtended strand (participates in β ladder)trans-110.2163.4173-62.1-57.7177.2-159.50109.4Y231 W252 D270 V271Y231-K254 HydrophobicContact CD1-CB 4.34Å; Y231-K254 HydrophobicContact CD1-CG 4.45Å; Y231-K254 HydrophobicContact CE1-CB 4.32Å; W252-K254 PolarHBondContact O-N 3.31Å; K254-D270 CarbonylContact O-C 3.23Å; K254-D270 WeakPolarHBondContact O-CA 3.23Å; K254-V271 HydrophobicContact CB-CB 4.3Å; K254-V271 PolarHBondContact N-O 3.06Å; K254-V271 PolarHBondContact O-N 2.9Å
255Q94.7Very high92.5Very high100 Ų10078.2 Ų78.247%0.46741%0.414SS..EExtended strand (participates in β ladder)trans-109.7132.4174.9-79.1-82.3-18.200108.9Y231 I269 D270Y231-Q255 PolarHBondContact OH-O 2.96Å; Y231-Q255 VanDerWaalsContact OH-O 3.06Å; Q255-I269 WeakPolarHBondContact CA-O 3.38Å; Q255-I269 PolarHBondContact OE1-O 3.03Å; Q255-D270 VanDerWaalsContact NE2-CG 3.34Å; Q255-D270 PolarHBondContact NE2-OD1 3.49Å
256Y96Very high92.6Very high19 Ų1984.6 Ų84.68%0.07544%0.444CS..EExtended strand (participates in β ladder)trans-108.9129.5167.6174.3-97.9000108.9T223 A226 V227 Y231 F267 S268 I269T223-Y256 HydrophobicContact CG2-CD1 3.95Å; T223-Y256 HydrophobicContact CG2-CE1 3.78Å; A226-Y256 HydrophobicContact CB-CE2 3.72Å; V227-Y256 HydrophobicContact CG2-CG 4.26Å; Y231-Y256 AromaticContact CE2-CD2 3.97Å; Y231-Y256 HydrophobicContact CE2-CD2 3.97Å; Y231-Y256 HydrophobicContact CE2-CG 4.41Å; Y256-F267 HydrophobicContact CD1-CE2 4.48Å; Y256-F267 HydrophobicContact CE1-CE2 4.26Å; Y256-F267 HydrophobicContact CE1-CZ 4.24Å; Y256-S268 CarbonylContact O-C 3.4Å; Y256-S268 VanDerWaalsContact O-CA 3.24Å; Y256-S268 WeakPolarHBondContact O-CA 3.43Å; Y256-I269 HydrophobicContact CD1-CD1 4.19Å; Y256-I269 HydrophobicContact CD1-CG1 4.12Å; Y256-I269 PolarHBondContact N-O 3.3Å; Y256-I269 PolarHBondContact O-N 3.25Å
257T96.1Very high92.6Very high64 Ų6481.1 Ų81.139%0.39343%0.425SS..EExtended strand (participates in β ladder)trans-116129.1178.3-56.80000109E266 F267 S268T257-E266 HydrophobicContact CG2-CG 3.27Å; T257-E266 WeakPolarHBondContact CG2-OE1 3.22Å; T257-F267 WeakPolarHBondContact CA-O 3.43Å; T257-S268 WeakPolarHBondContact CG2-OG 3.47Å; T257-S268 PolarHBondContact OG1-OG 2.79Å
258G94Very high92.6Very high9 Ų977.7 Ų77.79%0.09341%0.406CS..EExtended strand (participates in β ladder)trans-131.6165.7177.800000111.5E266 F267G258-E266 CarbonylContact O-C 3.6Å; G258-E266 WeakPolarHBondContact O-CA 3.28Å; G258-F267 PolarHBondContact N-O 3.31Å; G258-F267 WeakPolarHBondContact O-CD1 3.39Å; G258-F267 PolarHBondContact O-N 3.12Å
259I93.8Very high92.8Very high112 Ų11274.9 Ų74.957%0.57439%0.391SS*.EExtended strand (participates in β ladder)trans-108126.8174.7-59.8174.8000107.8Q219 A261Q219-I259 PolarHBondContact NE2-O 2.84Å; Q219-I259 PolarHBondContact OE1-O 3.34Å; I259-A261 PolarHBondContact O-N 3.03Å
260N91.4Very high93.2Very high23 Ų2376.7 Ų76.712%0.12340%0.396CS..  trans-64.3123.3175.7178.8-67.5000109.8P216 E218 I262 S263 K264 K265 F267P216-N260 WeakPolarHBondContact CB-ND2 3.42Å; P216-N260 HydrophobicContact CG-CB 4.06Å; P216-N260 WeakPolarHBondContact CG-ND2 3.42Å; E218-N260 PolarHBondContact OE1-ND2 3.34Å; N260-I262 PolarHBondContact O-N 2.7Å; N260-I262 WeakPolarHBondContact OD1-CA 3.5Å; N260-I262 PolarHBondContact OD1-N 3.06Å; N260-S263 VanDerWaalsContact CB-OG 3.28Å; N260-S263 WeakPolarHBondContact CB-OG 3.45Å; N260-S263 PolarHBondContact OD1-N 3.33Å; N260-S263 PolarHBondContact OD1-OG 2.89Å; N260-K264 WeakPolarHBondContact O-CA 3.49Å; N260-K264 PolarHBondContact O-N 3.23Å; N260-K265 WeakPolarHBondContact CB-O 3.41Å; N260-K265 PolarHBondContact N-O 3.41Å; N260-F267 HydrophobicContact CB-CD1 4.45Å
261A86.2Confident93.5Very high50 Ų5071.4 Ų71.441%0.41336%0.359SS..THydrogen-bonded Turntrans-62-29.4-173.700000113.4Q219 I259 K264Q219-A261 HydrophobicContact CG-CB 4.39Å; I259-A261 PolarHBondContact O-N 3.03Å; A261-K264 WeakPolarHBondContact O-CE 3.23Å; A261-K264 PolarHBondContact O-NZ 3.43Å
262I87Confident93.7Very high128 Ų12865.9 Ų65.966%0.65634%0.336SS*.THydrogen-bonded Turntrans-92.3-60.6-176.3-57.3178000110.8E218 N260 K264E218-I262 HydrophobicContact CG-CD1 3.98Å; E218-I262 HydrophobicContact CG-CG1 4.44Å; N260-I262 PolarHBondContact O-N 2.7Å; N260-I262 WeakPolarHBondContact OD1-CA 3.5Å; N260-I262 PolarHBondContact OD1-N 3.06Å; I262-K264 VanDerWaalsContact C-N 3.28Å; I262-K264 PolarHBondContact O-N 3.12Å
263S89.7Confident93.7Very high63 Ų6366.5 Ų66.544%0.44134%0.339SS..THydrogen-bonded Turntrans-77.2-13.3-174.967.70000113.8N260 K265N260-S263 VanDerWaalsContact CB-OG 3.28Å; N260-S263 WeakPolarHBondContact CB-OG 3.45Å; N260-S263 PolarHBondContact OD1-N 3.33Å; N260-S263 PolarHBondContact OD1-OG 2.89Å; S263-K265 PolarHBondContact O-N 2.73Å; S263-K265 VanDerWaalsContact O-N 3.08Å
264K91.6Very high93.8Very high155 Ų15563.7 Ų63.767%0.67432%0.324SS*.  trans5815.3-175.1-52.9-55.2-171.8-169.10114.2N260 A261 I262N260-K264 WeakPolarHBondContact O-CA 3.49Å; N260-K264 PolarHBondContact O-N 3.23Å; A261-K264 WeakPolarHBondContact O-CE 3.23Å; A261-K264 PolarHBondContact O-NZ 3.43Å; I262-K264 VanDerWaalsContact C-N 3.28Å; I262-K264 PolarHBondContact O-N 3.12Å
265K94.2Very high93.8Very high152 Ų15260.6 Ų60.666%0.66131%0.31SS*.  trans-89147.9174.9-66.7-175.6179.3-1790110.7N260 S263N260-K265 WeakPolarHBondContact CB-O 3.41Å; N260-K265 PolarHBondContact N-O 3.41Å; S263-K265 PolarHBondContact O-N 2.73Å; S263-K265 VanDerWaalsContact O-N 3.08Å
266E95.3Very high94Very high142 Ų14255.8 Ų55.866%0.66429%0.288SS*.EExtended strand (participates in β ladder)trans-70.2140.4171.6-169.9176.8106.200110.6T257 G258T257-E266 HydrophobicContact CG2-CG 3.27Å; T257-E266 WeakPolarHBondContact CG2-OE1 3.22Å; G258-E266 CarbonylContact O-C 3.6Å; G258-E266 WeakPolarHBondContact O-CA 3.28Å
267F94.5Very high94Very high23 Ų2355.8 Ų55.810%0.10129%0.289CS..EExtended strand (participates in β ladder)trans-125.4147.7165.272-86.9000108.8P216 T223 Y256 T257 G258 N260 I269P216-F267 HydrophobicContact CG-CD1 3.75Å; P216-F267 HydrophobicContact CG-CE1 3.79Å; P216-F267 HydrophobicContact CG-CG 4.21Å; P216-F267 HydrophobicContact CG-CZ 4.29Å; T223-F267 HydrophobicContact CG2-CE2 4.3Å; Y256-F267 HydrophobicContact CD1-CE2 4.48Å; Y256-F267 HydrophobicContact CE1-CE2 4.26Å; Y256-F267 HydrophobicContact CE1-CZ 4.24Å; T257-F267 WeakPolarHBondContact CA-O 3.43Å; G258-F267 PolarHBondContact N-O 3.31Å; G258-F267 WeakPolarHBondContact O-CD1 3.39Å; G258-F267 PolarHBondContact O-N 3.12Å; N260-F267 HydrophobicContact CB-CD1 4.45Å; F267-I269 HydrophobicContact CD2-CG2 4.25Å
268S95Very high94.1Very high52 Ų5252.8 Ų52.836%0.36427%0.271SS..EExtended strand (participates in β ladder)trans-130.4145.3174.6-68.10000110Y256 T257Y256-S268 CarbonylContact O-C 3.4Å; Y256-S268 VanDerWaalsContact O-CA 3.24Å; Y256-S268 WeakPolarHBondContact O-CA 3.43Å; T257-S268 WeakPolarHBondContact CG2-OG 3.47Å; T257-S268 PolarHBondContact OG1-OG 2.79Å
269I95.5Very high94.2Very high1 Ų152.3 Ų52.31%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-133.6150.5178.464.3175.5000110.5L208 E212 I215 T223 V227 Q255 Y256 F267 V271L208-I269 HydrophobicContact CD1-CD1 4.35Å; L208-I269 HydrophobicContact CD2-CD1 4.16Å; E212-I269 HydrophobicContact CB-CB 4.3Å; E212-I269 HydrophobicContact CB-CG2 4.08Å; E212-I269 HydrophobicContact CG-CB 4.03Å; E212-I269 HydrophobicContact CG-CG2 4.37Å; I215-I269 HydrophobicContact CD1-CD1 3.72Å; I215-I269 HydrophobicContact CD1-CG2 4.34Å; I215-I269 HydrophobicContact CG1-CD1 4Å; I215-I269 HydrophobicContact CG1-CG2 3.6Å; T223-I269 HydrophobicContact CG2-CD1 3.67Å; V227-I269 HydrophobicContact CG2-CD1 4.39Å; Q255-I269 WeakPolarHBondContact CA-O 3.38Å; Q255-I269 PolarHBondContact OE1-O 3.03Å; Y256-I269 HydrophobicContact CD1-CD1 4.19Å; Y256-I269 HydrophobicContact CD1-CG1 4.12Å; Y256-I269 PolarHBondContact N-O 3.3Å; Y256-I269 PolarHBondContact O-N 3.25Å; F267-I269 HydrophobicContact CD2-CG2 4.25Å; I269-V271 HydrophobicContact CG1-CG2 4.35Å
270D95.2Very high94.4Very high58 Ų5847 Ų4731%0.3124%0.239SC..EExtended strand (participates in β ladder)trans-70152165.2-79.2-45.6000110.3R211 E212 I253 K254 Q255R211-D270 PolarHBondContact NH2-O 3.28Å; E212-D270 PolarHBondContact OE2-N 3.3Å; I253-D270 HydrophobicContact CG2-CB 3.65Å; I253-D270 WeakPolarHBondContact CG2-OD1 3.13Å; K254-D270 CarbonylContact O-C 3.23Å; K254-D270 WeakPolarHBondContact O-CA 3.23Å; Q255-D270 VanDerWaalsContact NE2-CG 3.34Å; Q255-D270 PolarHBondContact NE2-OD1 3.49Å
271V96.1Very high94.7Very high0 Ų045.9 Ų45.90%023%0.233CC..EExtended strand (participates in β ladder)trans-132.2103.3177.4-174.20000108.6V227 Y231 K254 I269 E274 R275V227-V271 HydrophobicContact CG1-CG1 3.59Å; V227-V271 HydrophobicContact CG2-CG1 4.5Å; V227-V271 HydrophobicContact CG2-CG2 3.98Å; Y231-V271 HydrophobicContact CD2-CB 4.38Å; Y231-V271 HydrophobicContact CD2-CG1 3.89Å; Y231-V271 HydrophobicContact CD2-CG2 4.17Å; Y231-V271 HydrophobicContact CE2-CG2 4.2Å; Y231-V271 HydrophobicContact CG-CG1 4.2Å; K254-V271 HydrophobicContact CB-CB 4.3Å; K254-V271 PolarHBondContact N-O 3.06Å; K254-V271 PolarHBondContact O-N 2.9Å; I269-V271 HydrophobicContact CG1-CG2 4.35Å; V271-E274 WeakPolarHBondContact CA-OE1 3.45Å; V271-E274 HydrophobicContact CG1-CG 4.22Å; V271-R275 HydrophobicContact CG1-CG 3.56Å; V271-R275 WeakPolarHBondContact O-CD 3.35Å
272G95.7Very high95.3Very high5 Ų543.7 Ų43.75%0.05221%0.214CC..  trans-111.6-116.9-16600000114.3Y245 E274 R275Y245-G272 VanDerWaalsContact CE1-O 3.31Å; Y245-G272 WeakPolarHBondContact CE1-O 3.47Å; Y245-G272 PolarHBondContact OH-O 3.16Å; G272-E274 VanDerWaalsContact C-N 3.32Å; G272-E274 VanDerWaalsContact C-OE2 3.27Å; G272-E274 WeakPolarHBondContact CA-OE2 3.24Å; G272-E274 PolarHBondContact N-OE1 2.98Å; G272-E274 PolarHBondContact N-OE2 3.26Å; G272-E274 PolarHBondContact O-N 3.2Å; G272-R275 WeakPolarHBondContact O-CB 3.23Å; G272-R275 WeakPolarHBondContact O-CD 3.41Å; G272-R275 WeakPolarHBondContact O-CG 3.5Å; G272-R275 PolarHBondContact O-N 2.84Å
273Y95.8Very high95.8Very high89 Ų8937.8 Ų37.835%0.34918%0.184SC..THydrogen-bonded Turntrans-66.4-30.7-173.8-55.1-59.1000113.3F242 Y245 D246 R275 F276 L277F242-Y273 AromaticContact CD1-CD1 3.99Å; F242-Y273 HydrophobicContact CD1-CD1 3.99Å; F242-Y273 AromaticContact CD1-CE1 3.98Å; F242-Y273 HydrophobicContact CD1-CE1 3.98Å; F242-Y273 HydrophobicContact CE1-CD1 4.08Å; F242-Y273 HydrophobicContact CE1-CE1 4.38Å; F242-Y273 HydrophobicContact CE1-CG 4.24Å; Y245-Y273 HydrophobicContact CD1-CD1 4.05Å; Y245-Y273 HydrophobicContact CD1-CE1 4.27Å; Y245-Y273 AromaticContact CG-CD1 3.99Å; Y245-Y273 HydrophobicContact CG-CD1 3.99Å; Y245-Y273 HydrophobicContact CG-CE1 4.02Å; D246-Y273 PolarHBondContact OD1-OH 3.28Å; Y273-R275 PolarHBondContact O-N 3.16Å; Y273-F276 AromaticContact CD1-CE1 3.87Å; Y273-F276 HydrophobicContact CD1-CE1 3.87Å; Y273-F276 AromaticContact CD1-CZ 3.77Å; Y273-F276 HydrophobicContact CD1-CZ 3.77Å; Y273-F276 HydrophobicContact CG-CE1 4.49Å; Y273-F276 HydrophobicContact CG-CZ 4.34Å; Y273-F276 WeakPolarHBondContact O-CD1 3.41Å; Y273-F276 PolarHBondContact O-N 3.48Å; Y273-L277 WeakPolarHBondContact O-CB 3.32Å; Y273-L277 WeakPolarHBondContact O-CG 3.23Å; Y273-L277 PolarHBondContact O-N 3.38Å
274E95.9Very high96.1Very high3 Ų337.3 Ų37.31%0.01417%0.174CC..Hα-helixtrans-53.7-21.4176.261.8-85.3-162.200113.3I204 L207 L208 R211 V227 V271 G272 G278I204-E274 HydrophobicContact CG1-CB 4.32Å; I204-E274 HydrophobicContact CG2-CB 4.24Å; I204-E274 HydrophobicContact CG2-CG 4.39Å; L207-E274 HydrophobicContact CB-CB 4.19Å; L207-E274 HydrophobicContact CD1-CB 3.85Å; L208-E274 HydrophobicContact CD2-CG 4.05Å; L208-E274 WeakPolarHBondContact CD2-OE1 3.31Å; L208-E274 HydrophobicContact CG-CG 4.4Å; R211-E274 IonicContact CZ-OE1 3.66Å; R211-E274 VanDerWaalsContact NH1-CD 3.31Å; R211-E274 IonicContact NH1-OE1 2.99Å; R211-E274 PolarHBondContact NH1-OE1 2.79Å; R211-E274 IonicContact NH1-OE2 2.89Å; R211-E274 PolarHBondContact NH1-OE2 2.86Å; R211-E274 IonicContact NH2-OE1 3.41Å; R211-E274 PolarHBondContact NH2-OE1 2.87Å; V227-E274 HydrophobicContact CG1-CG 4.16Å; V271-E274 WeakPolarHBondContact CA-OE1 3.45Å; V271-E274 HydrophobicContact CG1-CG 4.22Å; G272-E274 VanDerWaalsContact C-N 3.32Å; G272-E274 VanDerWaalsContact C-OE2 3.27Å; G272-E274 WeakPolarHBondContact CA-OE2 3.24Å; G272-E274 PolarHBondContact N-OE1 2.98Å; G272-E274 PolarHBondContact N-OE2 3.26Å; G272-E274 PolarHBondContact O-N 3.2Å; E274-G278 PolarHBondContact O-N 3.36Å; E274-G278 VanDerWaalsContact O-N 3.11Å
275R97Very high96.3Very high24 Ų2429.9 Ų29.99%0.09114%0.142CC..Hα-helixtrans-60.1-46173.8-61.9178.658.2-147.1-7.7112.1Y231 S232 Y233 Y245 W252 V271 G272 Y273Y231-R275 PolarHBondContact O-NE 3.46Å; S232-R275 CarbonylContact C-O 3.51Å; S232-R275 WeakPolarHBondContact CA-O 3.43Å; S232-R275 VanDerWaalsContact CB-O 3.26Å; S232-R275 WeakPolarHBondContact CB-O 3.22Å; S232-R275 PolarHBondContact OG-O 3.47Å; Y233-R275 HydrophobicContact CD1-CB 4.22Å; Y233-R275 HydrophobicContact CE1-CB 3.67Å; Y233-R275 PolarHBondContact N-O 2.85Å; Y245-R275 PolarHBondContact OH-NH1 3.34Å; W252-R275 PolarHBondContact O-NH1 2.8Å; V271-R275 HydrophobicContact CG1-CG 3.56Å; V271-R275 WeakPolarHBondContact O-CD 3.35Å; G272-R275 WeakPolarHBondContact O-CB 3.23Å; G272-R275 WeakPolarHBondContact O-CD 3.41Å; G272-R275 WeakPolarHBondContact O-CG 3.5Å; G272-R275 PolarHBondContact O-N 2.84Å; Y273-R275 PolarHBondContact O-N 3.16Å
276F97.4Very high96.4Very high0 Ų026.5 Ų26.50%013%0.129CC..Hα-helixtrans-99.2-31.1178.563.7-94.7000112.4Y233 C235 L238 E241 F242 Y245 Y273 G278 E280Y233-F276 HydrophobicContact CE2-CB 4.01Å; Y233-F276 WeakPolarHBondContact O-CA 3.23Å; C235-F276 HydrophobicContact CB-CB 4.23Å; L238-F276 HydrophobicContact CD1-CD2 3.67Å; L238-F276 HydrophobicContact CD1-CE2 3.55Å; E241-F276 HydrophobicContact CB-CD2 4.38Å; E241-F276 HydrophobicContact CB-CE2 4.38Å; E241-F276 HydrophobicContact CB-CG 4.46Å; E241-F276 HydrophobicContact CB-CZ 4.46Å; E241-F276 HydrophobicContact CG-CB 4.37Å; E241-F276 HydrophobicContact CG-CD1 3.8Å; E241-F276 HydrophobicContact CG-CD2 4.32Å; E241-F276 HydrophobicContact CG-CE1 4.1Å; E241-F276 HydrophobicContact CG-CG 3.91Å; F242-F276 HydrophobicContact CD1-CE2 4.4Å; F242-F276 AromaticContact CD1-CZ 3.92Å; F242-F276 HydrophobicContact CD1-CZ 3.92Å; F242-F276 HydrophobicContact CD2-CE2 4.18Å; F242-F276 HydrophobicContact CD2-CZ 4.41Å; F242-F276 HydrophobicContact CE1-CE2 4.22Å; F242-F276 AromaticContact CE1-CZ 3.97Å; F242-F276 HydrophobicContact CE1-CZ 3.97Å; F242-F276 HydrophobicContact CE2-CE2 4.01Å; F242-F276 HydrophobicContact CE2-CZ 4.47Å; F242-F276 HydrophobicContact CG-CE2 4.38Å; F242-F276 HydrophobicContact CG-CZ 4.15Å; F242-F276 HydrophobicContact CZ-CE2 4.04Å; F242-F276 HydrophobicContact CZ-CZ 4.27Å; Y245-F276 HydrophobicContact CD2-CD1 4.38Å; Y245-F276 AromaticContact CD2-CE1 3.74Å; Y245-F276 HydrophobicContact CD2-CE1 3.74Å; Y245-F276 HydrophobicContact CE1-CE1 4.49Å; Y245-F276 AromaticContact CE2-CD1 3.73Å; Y245-F276 HydrophobicContact CE2-CD1 3.73Å; Y245-F276 AromaticContact CE2-CE1 3.54Å; Y245-F276 HydrophobicContact CE2-CE1 3.54Å; Y245-F276 HydrophobicContact CG-CE1 4.29Å; Y245-F276 AromaticContact CZ-CD1 3.98Å; Y245-F276 AromaticContact CZ-CE1 3.92Å; Y273-F276 AromaticContact CD1-CE1 3.87Å; Y273-F276 HydrophobicContact CD1-CE1 3.87Å; Y273-F276 AromaticContact CD1-CZ 3.77Å; Y273-F276 HydrophobicContact CD1-CZ 3.77Å; Y273-F276 HydrophobicContact CG-CE1 4.49Å; Y273-F276 HydrophobicContact CG-CZ 4.34Å; Y273-F276 WeakPolarHBondContact O-CD1 3.41Å; Y273-F276 PolarHBondContact O-N 3.48Å; F276-G278 VanDerWaalsContact C-N 3.34Å; F276-G278 PolarHBondContact O-N 3.11Å; F276-E280 VanDerWaalsContact O-CB 3.3Å; F276-E280 WeakPolarHBondContact O-CB 3.29Å; F276-E280 PolarHBondContact O-N 3.03Å; F276-E280 VanDerWaalsContact O-N 3.17Å
277L97.3Very high96.3Very high19 Ų1923.6 Ų23.610%0.09911%0.114CC..Hα-helixtrans-65.2-36.1178.9-71.7178000113F203 L207 L238 F242 Y273 E280 F287F203-L277 HydrophobicContact CE1-CB 4.08Å; F203-L277 WeakPolarHBondContact CE1-O 3Å; L207-L277 HydrophobicContact CD1-CB 4Å; L207-L277 HydrophobicContact CD1-CD1 4.2Å; L238-L277 HydrophobicContact CD1-CD2 4Å; F242-L277 HydrophobicContact CE1-CD1 4.41Å; F242-L277 HydrophobicContact CE2-CD2 4.15Å; F242-L277 HydrophobicContact CZ-CD1 4.1Å; F242-L277 HydrophobicContact CZ-CD2 3.75Å; F242-L277 HydrophobicContact CZ-CG 4.29Å; Y273-L277 WeakPolarHBondContact O-CB 3.32Å; Y273-L277 WeakPolarHBondContact O-CG 3.23Å; Y273-L277 PolarHBondContact O-N 3.38Å; L277-E280 PolarHBondContact O-N 2.9Å; L277-F287 HydrophobicContact CD2-CE2 4.31Å
278G97Very high96.1Very high0 Ų024.6 Ų24.60%013%0.126CC..Hα-helixtrans-52.7-63.4178.700000112.6E274 F276 E280 I281E274-G278 PolarHBondContact O-N 3.36Å; E274-G278 VanDerWaalsContact O-N 3.11Å; F276-G278 VanDerWaalsContact C-N 3.34Å; F276-G278 PolarHBondContact O-N 3.11Å; G278-E280 VanDerWaalsContact C-N 3.28Å; G278-E280 PolarHBondContact O-N 3.4Å; G278-I281 WeakPolarHBondContact O-CG1 3.3Å
279P97.5Very high95.8Very high0 Ų024 Ų240%012%0.119CC..Hα-helixtrans-68.2-21.8176.2-24.336.8000114.7V234 I281 F282 F328V234-P279 HydrophobicContact CG2-CB 3.72Å; P279-I281 PolarHBondContact O-N 3.37Å; P279-F282 PolarHBondContact O-N 2.66Å; P279-F282 VanDerWaalsContact O-N 3.15Å; P279-F328 HydrophobicContact CB-CB 4.36Å; P279-F328 HydrophobicContact CB-CD1 4.41Å; P279-F328 HydrophobicContact CB-CD2 3.7Å; P279-F328 HydrophobicContact CB-CE2 4.07Å; P279-F328 HydrophobicContact CB-CG 3.9Å; P279-F328 HydrophobicContact CG-CB 4.32Å; P279-F328 HydrophobicContact CG-CD1 3.63Å; P279-F328 HydrophobicContact CG-CD2 3.78Å; P279-F328 HydrophobicContact CG-CE1 3.8Å; P279-F328 HydrophobicContact CG-CE2 3.95Å; P279-F328 HydrophobicContact CG-CG 3.63Å; P279-F328 HydrophobicContact CG-CZ 3.95Å
280E97.6Very high95.4Very high0 Ų028.9 Ų28.90%015%0.151CC..Hα-helixtrans-62.8-21.5-178.8-166.565.6-158.100112.2L238 F276 L277 G278 F282 F283 H284 F287 R334L238-E280 HydrophobicContact CD1-CG 4.08Å; L238-E280 HydrophobicContact CD2-CG 4.26Å; F276-E280 VanDerWaalsContact O-CB 3.3Å; F276-E280 WeakPolarHBondContact O-CB 3.29Å; F276-E280 PolarHBondContact O-N 3.03Å; F276-E280 VanDerWaalsContact O-N 3.17Å; L277-E280 PolarHBondContact O-N 2.9Å; G278-E280 VanDerWaalsContact C-N 3.28Å; G278-E280 PolarHBondContact O-N 3.4Å; E280-F282 PolarHBondContact O-N 2.75Å; E280-F282 VanDerWaalsContact O-N 3.08Å; E280-F283 CarbonylContact O-C 3.44Å; E280-F283 WeakPolarHBondContact O-CA 3.05Å; E280-F283 PolarHBondContact O-N 2.84Å; E280-H284 HydrophobicContact CG-CB 4.5Å; E280-H284 PolarHBondContact O-N 2.67Å; E280-H284 IonicContact OE1-CE1 3.73Å; E280-H284 PolarHBondContact OE1-CE1 3.42Å; E280-H284 IonicContact OE1-ND1 2.76Å; E280-H284 PolarHBondContact OE1-ND1 2.88Å; E280-F287 HydrophobicContact CG-CE2 4.12Å; E280-R334 IonicContact OE1-CZ 2.98Å; E280-R334 IonicContact OE1-NH1 2.67Å; E280-R334 PolarHBondContact OE1-NH1 3.4Å; E280-R334 IonicContact OE1-NH2 3.85Å; E280-R334 PolarHBondContact OE1-NH2 3.11Å; E280-R334 IonicContact OE2-NH1 2.82Å; E280-R334 PolarHBondContact OE2-NH1 3.2Å; E280-R334 VanDerWaalsContact OE2-NH1 3.08Å
281I97.1Very high95.3Very high0 Ų033.5 Ų33.50%018%0.176CC..THydrogen-bonded Turntrans-62.1-16.6175.877-179.8000113.2I195 I200 F203 G278 P279 F283 P285 F287 A288I195-I281 VanDerWaalsContact CD1-O 3.3Å; I195-I281 WeakPolarHBondContact CD1-O 3.49Å; I195-I281 HydrophobicContact CG2-CD1 3.77Å; I195-I281 HydrophobicContact CG2-CG1 3.73Å; I200-I281 HydrophobicContact CB-CD1 4.26Å; I200-I281 HydrophobicContact CG1-CD1 3.56Å; I200-I281 HydrophobicContact CG1-CG1 4Å; F203-I281 HydrophobicContact CD1-CG2 3.49Å; F203-I281 VanDerWaalsContact CD1-CG2 3.49Å; F203-I281 HydrophobicContact CE1-CG2 3.53Å; F203-I281 HydrophobicContact CG-CG2 4.15Å; F203-I281 HydrophobicContact CZ-CG2 4.24Å; G278-I281 WeakPolarHBondContact O-CG1 3.3Å; P279-I281 PolarHBondContact O-N 3.37Å; I281-F283 VanDerWaalsContact C-N 3.27Å; I281-P285 WeakPolarHBondContact O-CA 3.43Å; I281-P285 VanDerWaalsContact O-CB 3.32Å; I281-P285 WeakPolarHBondContact O-CB 3.34Å; I281-F287 HydrophobicContact CG2-CB 4.14Å; I281-A288 HydrophobicContact CB-CB 4.26Å; I281-A288 HydrophobicContact CD1-CB 4.02Å; I281-A288 HydrophobicContact CG2-CB 3.97Å
282F97.8Very high95.1Very high3 Ų335.2 Ų35.21%0.01318%0.183CC..THydrogen-bonded Turntrans-69.3-28.2168-80.4-64.5000112.9S170 T175 I195 I200 P279 E280 I296 F328 F331S170-F282 VanDerWaalsContact OG-CZ 3.24Å; S170-F282 WeakPolarHBondContact OG-CZ 3.38Å; T175-F282 HydrophobicContact CG2-CE1 4.26Å; I195-F282 HydrophobicContact CB-CE1 4.39Å; I195-F282 HydrophobicContact CG2-CD1 4.04Å; I195-F282 HydrophobicContact CG2-CE1 3.86Å; I195-F282 HydrophobicContact CG2-CZ 4.27Å; I200-F282 HydrophobicContact CD1-CD2 4.12Å; I200-F282 HydrophobicContact CD1-CE2 3.41Å; I200-F282 VanDerWaalsContact CD1-CE2 3.41Å; I200-F282 HydrophobicContact CD1-CZ 4Å; P279-F282 PolarHBondContact O-N 2.66Å; P279-F282 VanDerWaalsContact O-N 3.15Å; E280-F282 PolarHBondContact O-N 2.75Å; E280-F282 VanDerWaalsContact O-N 3.08Å; F282-I296 HydrophobicContact CB-CB 4.47Å; F282-I296 HydrophobicContact CB-CG2 3.99Å; F282-I296 HydrophobicContact CD1-CD1 3.96Å; F282-I296 HydrophobicContact CE1-CD1 4.39Å; F282-I296 WeakPolarHBondContact O-CB 3.25Å; F282-I296 VanDerWaalsContact O-CG2 3.31Å; F282-I296 WeakPolarHBondContact O-CG2 3.34Å; F282-I296 PolarHBondContact O-N 2.98Å; F282-F328 HydrophobicContact CE2-CE2 4.45Å; F282-F331 HydrophobicContact CB-CE2 4.15Å; F282-F331 HydrophobicContact CD2-CD2 4.44Å; F282-F331 AromaticContact CD2-CE2 3.58Å; F282-F331 HydrophobicContact CD2-CE2 3.58Å; F282-F331 HydrophobicContact CD2-CZ 4.41Å; F282-F331 HydrophobicContact CE2-CE2 4.04Å; F282-F331 AromaticContact CG-CE2 3.9Å; F282-F331 HydrophobicContact CG-CE2 3.9Å; F282-F331 HydrophobicContact CG-CZ 4.46Å
283F97.6Very high95.1Very high4 Ų439.4 Ų39.42%0.01821%0.208CC..THydrogen-bonded Turntrans-105.3-21.6-175.8-58.8-81.6000113V234 E280 I281 P295 I296 F331 R334 L335V234-F283 HydrophobicContact CG1-CD2 4.24Å; V234-F283 HydrophobicContact CG1-CE2 3.7Å; V234-F283 HydrophobicContact CG1-CZ 4.34Å; V234-F283 HydrophobicContact CG2-CE2 4.06Å; E280-F283 CarbonylContact O-C 3.44Å; E280-F283 WeakPolarHBondContact O-CA 3.05Å; E280-F283 PolarHBondContact O-N 2.84Å; I281-F283 VanDerWaalsContact C-N 3.27Å; F283-P295 WeakPolarHBondContact O-CB 3.47Å; F283-P295 WeakPolarHBondContact O-CG 3.31Å; F283-I296 HydrophobicContact CD1-CG2 4.07Å; F283-I296 HydrophobicContact CE1-CG2 3.8Å; F283-I296 HydrophobicContact CZ-CG2 4.19Å; F283-F331 HydrophobicContact CE2-CD2 4.17Å; F283-F331 HydrophobicContact CE2-CE2 4.21Å; F283-F331 HydrophobicContact CZ-CD2 4.34Å; F283-F331 HydrophobicContact CZ-CE2 4.3Å; F283-R334 HydrophobicContact CD1-CG 3.82Å; F283-R334 HydrophobicContact CD2-CG 4.17Å; F283-R334 HydrophobicContact CE1-CB 4.22Å; F283-R334 HydrophobicContact CE1-CG 3.43Å; F283-R334 VanDerWaalsContact CE1-CG 3.43Å; F283-R334 HydrophobicContact CE2-CB 4.41Å; F283-R334 HydrophobicContact CE2-CG 3.81Å; F283-R334 HydrophobicContact CG-CG 4.18Å; F283-R334 HydrophobicContact CZ-CB 3.89Å; F283-R334 HydrophobicContact CZ-CG 3.43Å; F283-R334 VanDerWaalsContact CZ-CG 3.43Å; F283-L335 HydrophobicContact CE1-CB 4.33Å; F283-L335 HydrophobicContact CZ-CB 4.41Å
284H96.8Very high95.1Very high53 Ų5337.6 Ų37.625%0.24520%0.203CC..  trans-137.269.4173.8-62.596.3000108.8E280 E286 F287E280-H284 HydrophobicContact CG-CB 4.5Å; E280-H284 PolarHBondContact O-N 2.67Å; E280-H284 IonicContact OE1-CE1 3.73Å; E280-H284 PolarHBondContact OE1-CE1 3.42Å; E280-H284 IonicContact OE1-ND1 2.76Å; E280-H284 PolarHBondContact OE1-ND1 2.88Å; H284-E286 VanDerWaalsContact CA-OE2 3.3Å; H284-E286 WeakPolarHBondContact CA-OE2 3.4Å; H284-E286 IonicContact CD2-OE1 3.63Å; H284-E286 PolarHBondContact O-N 3.12Å; H284-F287 HydrophobicContact CB-CD1 4.35Å; H284-F287 HydrophobicContact CB-CD2 3.87Å; H284-F287 HydrophobicContact CB-CE1 4.09Å; H284-F287 HydrophobicContact CB-CE2 3.58Å; H284-F287 HydrophobicContact CB-CG 4.24Å; H284-F287 HydrophobicContact CB-CZ 3.69Å; H284-F287 WeakPolarHBondContact O-CB 3.17Å; H284-F287 WeakPolarHBondContact O-CG 3.31Å; H284-F287 PolarHBondContact O-N 3.08Å
285P96.2Very high95.2Very high0 Ų038.5 Ų38.50%021%0.208CC..G310 helixtrans-63-22.1-17329-39.1000114.7I195 I281 F287 A288 N289 F292I195-P285 HydrophobicContact CD1-CB 3.29Å; I281-P285 WeakPolarHBondContact O-CA 3.43Å; I281-P285 VanDerWaalsContact O-CB 3.32Å; I281-P285 WeakPolarHBondContact O-CB 3.34Å; P285-F287 PolarHBondContact O-N 3.36Å; P285-A288 PolarHBondContact O-N 3Å; P285-N289 PolarHBondContact O-N 2.76Å; P285-F292 CarbonylContact C-O 3.51Å; P285-F292 HydrophobicContact CB-CD1 3.68Å; P285-F292 HydrophobicContact CB-CE1 4.13Å; P285-F292 WeakPolarHBondContact CB-O 3.24Å; P285-F292 HydrophobicContact CG-CD1 3.95Å; P285-F292 HydrophobicContact CG-CE1 4.15Å; P285-F292 VanDerWaalsContact CG-O 3.27Å; P285-F292 WeakPolarHBondContact CG-O 3.08Å
286E95.2Very high95.3Very high81 Ų8137.4 Ų37.438%0.37920%0.204SC..G310 helixtrans-57.5-18.4174.765.7-87.5-159.100113.7H284 A288 T293H284-E286 VanDerWaalsContact CA-OE2 3.3Å; H284-E286 WeakPolarHBondContact CA-OE2 3.4Å; H284-E286 IonicContact CD2-OE1 3.63Å; H284-E286 PolarHBondContact O-N 3.12Å; E286-A288 VanDerWaalsContact C-N 3.29Å; E286-A288 PolarHBondContact O-N 2.72Å; E286-T293 HydrophobicContact CB-CG2 4.14Å
287F93.2Very high95.3Very high80 Ų8037.8 Ų37.835%0.35121%0.207SC..G310 helixtrans-67.5-28.6174.9-66.6-10000113.4F203 L238 L277 E280 I281 H284 P285F203-F287 HydrophobicContact CE2-CB 4.41Å; F203-F287 VanDerWaalsContact CE2-O 3.27Å; F203-F287 WeakPolarHBondContact CE2-O 3.4Å; F203-F287 HydrophobicContact CZ-CB 3.99Å; L238-F287 HydrophobicContact CD2-CE2 3.72Å; L238-F287 HydrophobicContact CD2-CZ 3.68Å; L277-F287 HydrophobicContact CD2-CE2 4.31Å; E280-F287 HydrophobicContact CG-CE2 4.12Å; I281-F287 HydrophobicContact CG2-CB 4.14Å; H284-F287 HydrophobicContact CB-CD1 4.35Å; H284-F287 HydrophobicContact CB-CD2 3.87Å; H284-F287 HydrophobicContact CB-CE1 4.09Å; H284-F287 HydrophobicContact CB-CE2 3.58Å; H284-F287 HydrophobicContact CB-CG 4.24Å; H284-F287 HydrophobicContact CB-CZ 3.69Å; H284-F287 WeakPolarHBondContact O-CB 3.17Å; H284-F287 WeakPolarHBondContact O-CG 3.31Å; H284-F287 PolarHBondContact O-N 3.08Å; P285-F287 PolarHBondContact O-N 3.36Å
288A90.9Very high95.3Very high44 Ų4441.5 Ų41.536%0.36422%0.224SC..THydrogen-bonded Turntrans-119.9-27.1-177.800000113F203 I281 P285 E286F203-A288 HydrophobicContact CB-CB 4.32Å; F203-A288 HydrophobicContact CD2-CB 3.99Å; F203-A288 HydrophobicContact CG-CB 4.14Å; I281-A288 HydrophobicContact CB-CB 4.26Å; I281-A288 HydrophobicContact CD1-CB 4.02Å; I281-A288 HydrophobicContact CG2-CB 3.97Å; P285-A288 PolarHBondContact O-N 3Å; E286-A288 VanDerWaalsContact C-N 3.29Å; E286-A288 PolarHBondContact O-N 2.72Å
289N88.9Confident95.4Very high40 Ų4041.6 Ų41.621%0.21423%0.225CC..  trans-131.9101.6-179.6-171.2-23.1000110.1P285 D291 F292P285-N289 PolarHBondContact O-N 2.76Å; N289-D291 PolarHBondContact O-N 2.82Å; N289-D291 WeakPolarHBondContact OD1-CB 3.33Å; N289-D291 PolarHBondContact OD1-N 2.93Å; N289-F292 HydrophobicContact CB-CB 4.25Å; N289-F292 PolarHBondContact O-N 3.17Å; N289-F292 PolarHBondContact OD1-N 2.96Å
290P87.4Confident95.5Very high103 Ų10341.6 Ų41.667%0.66923%0.225SC*.THydrogen-bonded Turntrans-65.8-20.4-178.728-34.9000113.1
291D91.7Very high95.5Very high156 Ų15642.4 Ų42.483%0.83423%0.229SC*.THydrogen-bonded Turntrans-87.6-11.4-179.8-60.1-41.8000112.7N289N289-D291 PolarHBondContact O-N 2.82Å; N289-D291 WeakPolarHBondContact OD1-CB 3.33Å; N289-D291 PolarHBondContact OD1-N 2.93Å
292F93.4Very high95.6Very high36 Ų3645 Ų4516%0.15824%0.241CC..  trans-127.2106.4179.5-173.5-96.5000110.6I193 P194 I195 P285 N289 Q294 V299I193-F292 HydrophobicContact CG2-CE1 3.74Å; I193-F292 HydrophobicContact CG2-CZ 3.99Å; P194-F292 HydrophobicContact CG-CB 3.88Å; P194-F292 HydrophobicContact CG-CD1 3.96Å; P194-F292 HydrophobicContact CG-CD2 3.74Å; P194-F292 HydrophobicContact CG-CE2 4.29Å; P194-F292 HydrophobicContact CG-CG 3.56Å; I195-F292 HydrophobicContact CD1-CD1 4.23Å; P285-F292 CarbonylContact C-O 3.51Å; P285-F292 HydrophobicContact CB-CD1 3.68Å; P285-F292 HydrophobicContact CB-CE1 4.13Å; P285-F292 WeakPolarHBondContact CB-O 3.24Å; P285-F292 HydrophobicContact CG-CD1 3.95Å; P285-F292 HydrophobicContact CG-CE1 4.15Å; P285-F292 VanDerWaalsContact CG-O 3.27Å; P285-F292 WeakPolarHBondContact CG-O 3.08Å; N289-F292 HydrophobicContact CB-CB 4.25Å; N289-F292 PolarHBondContact O-N 3.17Å; N289-F292 PolarHBondContact OD1-N 2.96Å; F292-Q294 HydrophobicContact CE1-CB 4.48Å; F292-Q294 WeakPolarHBondContact CE1-O 3.36Å; F292-Q294 HydrophobicContact CE2-CB 4.36Å; F292-Q294 HydrophobicContact CZ-CB 4.03Å; F292-V299 HydrophobicContact CZ-CG2 4.11Å
293T95.2Very high95.6Very high92 Ų9244.9 Ų44.956%0.56424%0.241SC*.  trans-111.61.3-172.561.70000114.1E286 P295E286-T293 HydrophobicContact CB-CG2 4.14Å; T293-P295 WeakPolarHBondContact O-CD 3.45Å
294Q96.9Very high95.7Very high52 Ų5244.7 Ų44.724%0.24324%0.24CC..  trans-88.3116.8-172.9-169.6-177.86.800111.8F292 E298 V299 E302F292-Q294 HydrophobicContact CE1-CB 4.48Å; F292-Q294 WeakPolarHBondContact CE1-O 3.36Å; F292-Q294 HydrophobicContact CE2-CB 4.36Å; F292-Q294 HydrophobicContact CZ-CB 4.03Å; Q294-E298 HydrophobicContact CG-CB 3.91Å; Q294-V299 HydrophobicContact CB-CG2 4.29Å; Q294-V299 HydrophobicContact CG-CG2 3.78Å; Q294-E302 PolarHBondContact NE2-OE2 3.27Å
295P97.5Very high95.7Very high21 Ų2144.5 Ų44.514%0.13624%0.239CC..  trans-60.7148.1177.4-23.734.8000112.6F283 T293 S297 E298 V299F283-P295 WeakPolarHBondContact O-CB 3.47Å; F283-P295 WeakPolarHBondContact O-CG 3.31Å; T293-P295 WeakPolarHBondContact O-CD 3.45Å; P295-S297 PolarHBondContact O-N 2.78Å; P295-S297 VanDerWaalsContact O-N 3.12Å; P295-E298 HydrophobicContact CB-CG 4.47Å; P295-E298 HydrophobicContact CG-CG 4.44Å; P295-E298 WeakPolarHBondContact O-CA 3.31Å; P295-E298 WeakPolarHBondContact O-CB 3.45Å; P295-E298 PolarHBondContact O-N 2.64Å; P295-V299 PolarHBondContact O-N 3.08Å; P295-V299 VanDerWaalsContact O-N 3.08Å
296I98.1Very high95.8Very high1 Ų148.8 Ų48.81%0.00526%0.262CS..Hα-helixtrans-55.8-34.7179.3-172.7159.8000112.8I168 T175 I193 F282 F283 E298 V299 V300 F331 L335I168-I296 HydrophobicContact CG2-CD1 3.87Å; T175-I296 HydrophobicContact CG2-CD1 4.23Å; I193-I296 HydrophobicContact CD1-CB 4.07Å; I193-I296 HydrophobicContact CD1-CD1 3.85Å; I193-I296 HydrophobicContact CD1-CG1 3.57Å; F282-I296 HydrophobicContact CB-CB 4.47Å; F282-I296 HydrophobicContact CB-CG2 3.99Å; F282-I296 HydrophobicContact CD1-CD1 3.96Å; F282-I296 HydrophobicContact CE1-CD1 4.39Å; F282-I296 WeakPolarHBondContact O-CB 3.25Å; F282-I296 VanDerWaalsContact O-CG2 3.31Å; F282-I296 WeakPolarHBondContact O-CG2 3.34Å; F282-I296 PolarHBondContact O-N 2.98Å; F283-I296 HydrophobicContact CD1-CG2 4.07Å; F283-I296 HydrophobicContact CE1-CG2 3.8Å; F283-I296 HydrophobicContact CZ-CG2 4.19Å; I296-E298 VanDerWaalsContact C-N 3.29Å; I296-E298 PolarHBondContact O-N 2.61Å; I296-V299 PolarHBondContact O-N 3.01Å; I296-V300 HydrophobicContact CG1-CG2 4.26Å; I296-V300 WeakPolarHBondContact O-CB 3.2Å; I296-V300 WeakPolarHBondContact O-CG2 3.42Å; I296-V300 PolarHBondContact O-N 2.86Å; I296-F331 HydrophobicContact CD1-CZ 4.09Å; I296-L335 HydrophobicContact CG2-CD1 4.13Å
297S98Very high96Very high8 Ų845 Ų456%0.05624%0.244CC..Hα-helixtrans-62-36.9175.248.70000112.4P295 D301 L339P295-S297 PolarHBondContact O-N 2.78Å; P295-S297 VanDerWaalsContact O-N 3.12Å; S297-D301 PolarHBondContact O-N 3.1Å; S297-D301 VanDerWaalsContact O-N 3.12Å; S297-L339 WeakPolarHBondContact O-CD2 3.47Å
298E98Very high96.2Very high98 Ų9844.3 Ų44.346%0.45825%0.248SC..Hα-helixtrans-75.2-39.7177.5-65.9-174.2-169.700111.4Q294 P295 I296 V300 D301 E302Q294-E298 HydrophobicContact CG-CB 3.91Å; P295-E298 HydrophobicContact CB-CG 4.47Å; P295-E298 HydrophobicContact CG-CG 4.44Å; P295-E298 WeakPolarHBondContact O-CA 3.31Å; P295-E298 WeakPolarHBondContact O-CB 3.45Å; P295-E298 PolarHBondContact O-N 2.64Å; I296-E298 VanDerWaalsContact C-N 3.29Å; I296-E298 PolarHBondContact O-N 2.61Å; E298-V300 VanDerWaalsContact C-N 3.28Å; E298-V300 PolarHBondContact O-N 2.71Å; E298-D301 PolarHBondContact O-N 3.24Å; E298-E302 WeakPolarHBondContact O-CB 3.31Å; E298-E302 PolarHBondContact O-N 2.88Å
299V98.4Very high96.5Very high2 Ų248.8 Ų48.81%0.01226%0.264CS..Hα-helixtrans-58.2-44.2173.9-178.40000110.4V177 K191 I193 F292 Q294 P295 I296 E302 V303V177-V299 HydrophobicContact CG2-CG1 4.05Å; K191-V299 HydrophobicContact CB-CG1 3.63Å; K191-V299 HydrophobicContact CG-CG1 4.19Å; I193-V299 HydrophobicContact CD1-CB 4.01Å; I193-V299 HydrophobicContact CD1-CG1 3.96Å; I193-V299 HydrophobicContact CD1-CG2 4.07Å; I193-V299 HydrophobicContact CG1-CB 4.39Å; I193-V299 HydrophobicContact CG1-CG1 3.95Å; I193-V299 HydrophobicContact CG1-CG2 4.21Å; F292-V299 HydrophobicContact CZ-CG2 4.11Å; Q294-V299 HydrophobicContact CB-CG2 4.29Å; Q294-V299 HydrophobicContact CG-CG2 3.78Å; P295-V299 PolarHBondContact O-N 3.08Å; P295-V299 VanDerWaalsContact O-N 3.08Å; I296-V299 PolarHBondContact O-N 3.01Å; V299-E302 PolarHBondContact O-N 2.95Å; V299-V303 WeakPolarHBondContact O-CG2 3.36Å; V299-V303 PolarHBondContact O-N 3.04Å
300V98.7Very high96.8Very high0 Ų052.6 Ų52.60%029%0.285CS..Hα-helixtrans-64-43.5178.5173.80000111.8T166 I168 V177 I296 E298 V303 I304 I319 L339T166-V300 HydrophobicContact CG2-CG1 4.32Å; I168-V300 HydrophobicContact CD1-CB 4.48Å; I168-V300 HydrophobicContact CD1-CG1 4.29Å; I168-V300 HydrophobicContact CD1-CG2 3.38Å; I168-V300 HydrophobicContact CG1-CG2 3.87Å; V177-V300 HydrophobicContact CG1-CB 4.37Å; V177-V300 HydrophobicContact CG1-CG2 3.88Å; V177-V300 HydrophobicContact CG2-CG2 3.79Å; I296-V300 HydrophobicContact CG1-CG2 4.26Å; I296-V300 WeakPolarHBondContact O-CB 3.2Å; I296-V300 WeakPolarHBondContact O-CG2 3.42Å; I296-V300 PolarHBondContact O-N 2.86Å; E298-V300 VanDerWaalsContact C-N 3.28Å; E298-V300 PolarHBondContact O-N 2.71Å; V300-V303 PolarHBondContact O-N 2.84Å; V300-I304 HydrophobicContact CG1-CD1 4.05Å; V300-I304 WeakPolarHBondContact O-CG1 3.27Å; V300-I304 PolarHBondContact O-N 3.46Å; V300-I304 VanDerWaalsContact O-N 3.15Å; V300-I319 HydrophobicContact CG1-CD1 4.15Å; V300-L339 HydrophobicContact CB-CD1 4.24Å; V300-L339 HydrophobicContact CB-CD2 4.03Å; V300-L339 HydrophobicContact CG1-CD1 3.75Å; V300-L339 HydrophobicContact CG1-CD2 3.94Å; V300-L339 HydrophobicContact CG1-CG 4.48Å
301D98.6Very high97.3Very high17 Ų1748.7 Ų48.79%0.09126%0.259CS..Hα-helixtrans-62.1-43.3175.3-173.966.5000111.8S297 E298 I304 Q305 Y316 L339 T342 R346S297-D301 PolarHBondContact O-N 3.1Å; S297-D301 VanDerWaalsContact O-N 3.12Å; E298-D301 PolarHBondContact O-N 3.24Å; D301-I304 PolarHBondContact O-N 2.83Å; D301-Q305 WeakPolarHBondContact O-CB 3.42Å; D301-Q305 WeakPolarHBondContact O-CG 3.17Å; D301-Q305 PolarHBondContact O-N 3.3Å; D301-Y316 PolarHBondContact O-OH 2.96Å; D301-Y316 PolarHBondContact OD1-OH 3.27Å; D301-L339 HydrophobicContact CB-CD2 3.94Å; D301-T342 HydrophobicContact CB-CG2 4.38Å; D301-R346 IonicContact OD1-CZ 3.45Å; D301-R346 IonicContact OD1-NH1 3.36Å; D301-R346 PolarHBondContact OD1-NH1 3.25Å; D301-R346 IonicContact OD1-NH2 2.68Å; D301-R346 PolarHBondContact OD1-NH2 2.95Å; D301-R346 IonicContact OD2-CZ 3.86Å; D301-R346 IonicContact OD2-NH1 3.75Å; D301-R346 PolarHBondContact OD2-NH1 2.87Å; D301-R346 IonicContact OD2-NH2 2.72Å
302E98.5Very high97.6Very high55 Ų5544.2 Ų44.226%0.25723%0.23SC..Hα-helixtrans-60.5-47.7177.2-172.3-166.8155.700111.7K191 Q294 E298 V299 I304 Q305 N306K191-E302 WeakPolarHBondContact CE-OE1 3.23Å; K191-E302 IonicContact NZ-OE1 2.85Å; K191-E302 PolarHBondContact NZ-OE1 2.83Å; K191-E302 IonicContact NZ-OE2 2.77Å; Q294-E302 PolarHBondContact NE2-OE2 3.27Å; E298-E302 WeakPolarHBondContact O-CB 3.31Å; E298-E302 PolarHBondContact O-N 2.88Å; V299-E302 PolarHBondContact O-N 2.95Å; E302-I304 VanDerWaalsContact C-N 3.32Å; E302-I304 PolarHBondContact O-N 3.48Å; E302-Q305 PolarHBondContact O-N 2.98Å; E302-N306 PolarHBondContact O-N 3.29Å; E302-N306 PolarHBondContact O-ND2 3.19Å
303V98.7Very high97.7Very high0 Ų047.6 Ų47.60%024%0.242CC..Hα-helixtrans-54.6-49.4176.4165.30000110.9V177 P179 C189 K191 V299 V300 Q305 N306 C307V177-V303 HydrophobicContact CB-CG2 3.92Å; V177-V303 HydrophobicContact CG1-CB 3.87Å; V177-V303 HydrophobicContact CG1-CG1 3.89Å; V177-V303 HydrophobicContact CG1-CG2 3.75Å; P179-V303 HydrophobicContact CB-CG1 4.01Å; P179-V303 HydrophobicContact CG-CG1 3.63Å; C189-V303 WeakPolarHBondContact O-CG1 3.04Å; C189-V303 WeakPolarHBondContact O-CG2 3.44Å; K191-V303 HydrophobicContact CB-CG2 3.61Å; K191-V303 HydrophobicContact CG-CG2 3.37Å; V299-V303 WeakPolarHBondContact O-CG2 3.36Å; V299-V303 PolarHBondContact O-N 3.04Å; V300-V303 PolarHBondContact O-N 2.84Å; V303-Q305 PolarHBondContact O-N 2.99Å; V303-N306 PolarHBondContact O-N 2.92Å; V303-C307 PolarHBondContact O-N 3.44Å; V303-C307 PolarHBondContact O-SG 3.03Å
304I98.7Very high97.8Very high0 Ų045.8 Ų45.80%023%0.232CC..Hα-helixtrans-68.3-37.2-178.6-61.7170000110.7T166 V300 D301 E302 N306 C307 R312 L315 Y316 I319T166-I304 HydrophobicContact CG2-CD1 4.46Å; T166-I304 HydrophobicContact CG2-CG1 4.41Å; T166-I304 WeakPolarHBondContact OG1-CG1 3.37Å; V300-I304 HydrophobicContact CG1-CD1 4.05Å; V300-I304 WeakPolarHBondContact O-CG1 3.27Å; V300-I304 PolarHBondContact O-N 3.46Å; V300-I304 VanDerWaalsContact O-N 3.15Å; D301-I304 PolarHBondContact O-N 2.83Å; E302-I304 VanDerWaalsContact C-N 3.32Å; E302-I304 PolarHBondContact O-N 3.48Å; I304-N306 VanDerWaalsContact C-N 3.3Å; I304-N306 PolarHBondContact O-N 2.97Å; I304-C307 WeakPolarHBondContact O-CB 3.32Å; I304-C307 PolarHBondContact O-N 3.33Å; I304-R312 HydrophobicContact CG2-CB 3.92Å; I304-R312 HydrophobicContact CG2-CG 4.29Å; I304-R312 WeakPolarHBondContact O-CD 3Å; I304-R312 WeakPolarHBondContact O-CG 3.22Å; I304-L315 HydrophobicContact CD1-CB 4.32Å; I304-L315 HydrophobicContact CG1-CB 4.09Å; I304-L315 HydrophobicContact CG2-CB 3.87Å; I304-L315 HydrophobicContact CG2-CD1 4.21Å; I304-Y316 HydrophobicContact CB-CE1 4.2Å; I304-Y316 HydrophobicContact CB-CE2 4.07Å; I304-Y316 HydrophobicContact CD1-CD1 3.61Å; I304-Y316 HydrophobicContact CD1-CE1 3.62Å; I304-Y316 HydrophobicContact CD1-CG 4.08Å; I304-Y316 HydrophobicContact CG2-CD1 4.49Å; I304-Y316 HydrophobicContact CG2-CD2 3.66Å; I304-Y316 HydrophobicContact CG2-CE1 4.18Å; I304-Y316 HydrophobicContact CG2-CE2 3.26Å; I304-Y316 HydrophobicContact CG2-CG 4.23Å; I304-I319 HydrophobicContact CD1-CD1 4.24Å; I304-I319 HydrophobicContact CD1-CG1 4.49Å
305Q98.2Very high97.9Very high48 Ų4843.3 Ų43.322%0.22422%0.22CC..Hα-helixtrans-68.8-25.4176.1-73.4-51.4-57.400113.9D301 E302 V303 C307 R312 Y316 R346D301-Q305 WeakPolarHBondContact O-CB 3.42Å; D301-Q305 WeakPolarHBondContact O-CG 3.17Å; D301-Q305 PolarHBondContact O-N 3.3Å; E302-Q305 PolarHBondContact O-N 2.98Å; V303-Q305 PolarHBondContact O-N 2.99Å; Q305-C307 VanDerWaalsContact C-N 3.33Å; Q305-R312 PolarHBondContact O-NE 2.92Å; Q305-R312 PolarHBondContact O-NH1 2.66Å; Q305-R312 PolarHBondContact O-NH2 3.06Å; Q305-Y316 PolarHBondContact NE2-OH 3.33Å; Q305-R346 VanDerWaalsContact NE2-CZ 3.29Å; Q305-R346 VanDerWaalsContact NE2-NH2 3.17Å
306N98.3Very high97.9Very high90 Ų9042.3 Ų42.348%0.48121%0.214SC..Hα-helixtrans-79.6-17.3174.5-71.5-26.8000112.9C189 E302 V303 I304C189-N306 HydrophobicContact CB-CB 4.42Å; C189-N306 PolarHBondContact SG-O 3.48Å; C189-N306 VanDerWaalsContact SG-O 3.34Å; E302-N306 PolarHBondContact O-N 3.29Å; E302-N306 PolarHBondContact O-ND2 3.19Å; V303-N306 PolarHBondContact O-N 2.92Å; I304-N306 VanDerWaalsContact C-N 3.3Å; I304-N306 PolarHBondContact O-N 2.97Å
307C98.5Very high97.8Very high1 Ų147.5 Ų47.51%0.00724%0.236CC..SBendtrans-70.7160.1175.7-64.90000112.4P179 I186 V303 I304 Q305 V311 R312 L315P179-C307 WeakPolarHBondContact CB-SG 3.21Å; I186-C307 HydrophobicContact CD1-CB 4.17Å; V303-C307 PolarHBondContact O-N 3.44Å; V303-C307 PolarHBondContact O-SG 3.03Å; I304-C307 WeakPolarHBondContact O-CB 3.32Å; I304-C307 PolarHBondContact O-N 3.33Å; Q305-C307 VanDerWaalsContact C-N 3.33Å; C307-V311 HydrophobicContact CB-CG2 3.95Å; C307-R312 PolarHBondContact O-NE 2.9Å; C307-R312 PolarHBondContact O-NH2 3.48Å; C307-L315 HydrophobicContact CB-CD1 3.76Å
308P98Very high97.7Very high67 Ų6747.5 Ų47.544%0.43524%0.236SC..  trans-51.4143.3170.7-27.536.8000112.8D310 V311 R312P308-D310 VanDerWaalsContact C-N 3.26Å; P308-D310 WeakPolarHBondContact CB-OD1 3.34Å; P308-D310 PolarHBondContact O-N 3.46Å; P308-V311 HydrophobicContact CB-CG2 4.23Å; P308-V311 WeakPolarHBondContact O-CG2 3.3Å; P308-V311 PolarHBondContact O-N 2.93Å; P308-R312 VanDerWaalsContact O-CG 3.27Å; P308-R312 WeakPolarHBondContact O-CG 3.3Å
309I95.9Very high97.7Very high137 Ų13742.9 Ų42.970%0.70321%0.214SC*.THydrogen-bonded Turntrans-63-31.1-168.1-166.8167.3000113.7
310D96.4Very high97.7Very high120 Ų12042.8 Ų42.864%0.64221%0.213SC*.THydrogen-bonded Turntrans-69.4-32.9-178.654.4-42.9000112.9P308P308-D310 VanDerWaalsContact C-N 3.26Å; P308-D310 WeakPolarHBondContact CB-OD1 3.34Å; P308-D310 PolarHBondContact O-N 3.46Å
311V96.9Very high97.6Very high22 Ų2242.8 Ų42.813%0.13321%0.213CC..THydrogen-bonded Turntrans-89.5-16.6-179.4-59.10000113.7A181 I186 C307 P308 R313 P314 L315A181-V311 HydrophobicContact CB-CB 4.39Å; A181-V311 HydrophobicContact CB-CG1 3.9Å; I186-V311 HydrophobicContact CD1-CG2 3.98Å; C307-V311 HydrophobicContact CB-CG2 3.95Å; P308-V311 HydrophobicContact CB-CG2 4.23Å; P308-V311 WeakPolarHBondContact O-CG2 3.3Å; P308-V311 PolarHBondContact O-N 2.93Å; V311-R313 VanDerWaalsContact C-N 3.34Å; V311-R313 PolarHBondContact O-N 3.29Å; V311-P314 WeakPolarHBondContact O-CD 3.41Å; V311-L315 HydrophobicContact CB-CD1 4.42Å; V311-L315 HydrophobicContact CG2-CD1 3.89Å; V311-L315 HydrophobicContact CG2-CG 4.5Å; V311-L315 VanDerWaalsContact O-CG 3.28Å; V311-L315 WeakPolarHBondContact O-CG 3.3Å; V311-L315 PolarHBondContact O-N 2.72Å
312R98.1Very high97.5Very high62 Ų6242 Ų4223%0.23421%0.21CC..Hα-helixtrans-57.6-41.5-172.2-57.1-167.8-173.9165.85.8114.1I304 Q305 C307 P308 L315 Y316I304-R312 HydrophobicContact CG2-CB 3.92Å; I304-R312 HydrophobicContact CG2-CG 4.29Å; I304-R312 WeakPolarHBondContact O-CD 3Å; I304-R312 WeakPolarHBondContact O-CG 3.22Å; Q305-R312 PolarHBondContact O-NE 2.92Å; Q305-R312 PolarHBondContact O-NH1 2.66Å; Q305-R312 PolarHBondContact O-NH2 3.06Å; C307-R312 PolarHBondContact O-NE 2.9Å; C307-R312 PolarHBondContact O-NH2 3.48Å; P308-R312 VanDerWaalsContact O-CG 3.27Å; P308-R312 WeakPolarHBondContact O-CG 3.3Å; R312-L315 WeakPolarHBondContact O-CB 3.41Å; R312-L315 PolarHBondContact O-N 3.08Å; R312-Y316 WeakPolarHBondContact O-CD2 3.39Å; R312-Y316 PolarHBondContact O-N 3.07Å
313R97Very high97.4Very high107 Ų10739.8 Ų39.840%0.40420%0.202SC..Hα-helixtrans-64.7-51.1-179-77177.9177-81.4-6111.5V311 L315 Y316 K317 K361 P362 I363V311-R313 VanDerWaalsContact C-N 3.34Å; V311-R313 PolarHBondContact O-N 3.29Å; R313-L315 VanDerWaalsContact C-N 3.29Å; R313-L315 PolarHBondContact O-N 3.42Å; R313-Y316 PolarHBondContact O-N 3.36Å; R313-K317 WeakPolarHBondContact O-CB 3.29Å; R313-K317 PolarHBondContact O-N 2.77Å; R313-K361 PolarHBondContact NH1-O 3.46Å; R313-K361 PolarHBondContact NH2-O 2.97Å; R313-P362 PolarHBondContact NH1-O 3.06Å; R313-I363 HydrophobicContact CG-CG1 4.29Å
314P96.5Very high97.2Very high54 Ų5441.7 Ų41.735%0.35122%0.221SC..Hα-helixtrans-51.9-43.2168.2-30.734.2000114.2T164 V311 Y316 K317 N318T164-P314 HydrophobicContact CG2-CB 3.41Å; T164-P314 VanDerWaalsContact CG2-CB 3.41Å; T164-P314 HydrophobicContact CG2-CG 4.41Å; V311-P314 WeakPolarHBondContact O-CD 3.41Å; P314-Y316 PolarHBondContact O-N 2.77Å; P314-K317 PolarHBondContact O-N 3.3Å; P314-N318 PolarHBondContact O-N 3.47Å; P314-N318 VanDerWaalsContact O-N 3.12Å
315L98.2Very high97Very high0 Ų042 Ų420%022%0.223CC..Hα-helixtrans-61.2-45.5179.3-68.5177.7000112.7T164 G165 P179 V180 I304 C307 V311 R312 R313 K317 N318 I319T164-L315 HydrophobicContact CG2-CD2 4.38Å; G165-L315 VanDerWaalsContact O-CD2 3.26Å; G165-L315 WeakPolarHBondContact O-CD2 3.47Å; P179-L315 HydrophobicContact CB-CD1 4.12Å; P179-L315 HydrophobicContact CB-CD2 4.3Å; V180-L315 VanDerWaalsContact O-CD2 3.32Å; V180-L315 WeakPolarHBondContact O-CD2 3.26Å; I304-L315 HydrophobicContact CD1-CB 4.32Å; I304-L315 HydrophobicContact CG1-CB 4.09Å; I304-L315 HydrophobicContact CG2-CB 3.87Å; I304-L315 HydrophobicContact CG2-CD1 4.21Å; C307-L315 HydrophobicContact CB-CD1 3.76Å; V311-L315 HydrophobicContact CB-CD1 4.42Å; V311-L315 HydrophobicContact CG2-CD1 3.89Å; V311-L315 HydrophobicContact CG2-CG 4.5Å; V311-L315 VanDerWaalsContact O-CG 3.28Å; V311-L315 WeakPolarHBondContact O-CG 3.3Å; V311-L315 PolarHBondContact O-N 2.72Å; R312-L315 WeakPolarHBondContact O-CB 3.41Å; R312-L315 PolarHBondContact O-N 3.08Å; R313-L315 VanDerWaalsContact C-N 3.29Å; R313-L315 PolarHBondContact O-N 3.42Å; L315-K317 VanDerWaalsContact C-N 3.33Å; L315-K317 PolarHBondContact O-N 3.32Å; L315-N318 CarbonylContact O-C 3.56Å; L315-N318 PolarHBondContact O-N 3.06Å; L315-I319 WeakPolarHBondContact O-CG1 3.45Å
316Y98.2Very high97Very high0 Ų039.9 Ų39.90%021%0.213CC..Hα-helixtrans-65.7-34.4174-77.4-66.5000113.4D301 I304 Q305 R312 R313 P314 N318 I319 V343 R346 I363 D364 V365 Q366D301-Y316 PolarHBondContact O-OH 2.96Å; D301-Y316 PolarHBondContact OD1-OH 3.27Å; I304-Y316 HydrophobicContact CB-CE1 4.2Å; I304-Y316 HydrophobicContact CB-CE2 4.07Å; I304-Y316 HydrophobicContact CD1-CD1 3.61Å; I304-Y316 HydrophobicContact CD1-CE1 3.62Å; I304-Y316 HydrophobicContact CD1-CG 4.08Å; I304-Y316 HydrophobicContact CG2-CD1 4.49Å; I304-Y316 HydrophobicContact CG2-CD2 3.66Å; I304-Y316 HydrophobicContact CG2-CE1 4.18Å; I304-Y316 HydrophobicContact CG2-CE2 3.26Å; I304-Y316 HydrophobicContact CG2-CG 4.23Å; Q305-Y316 PolarHBondContact NE2-OH 3.33Å; R312-Y316 WeakPolarHBondContact O-CD2 3.39Å; R312-Y316 PolarHBondContact O-N 3.07Å; R313-Y316 PolarHBondContact O-N 3.36Å; P314-Y316 PolarHBondContact O-N 2.77Å; Y316-N318 PolarHBondContact O-N 3.28Å; Y316-I319 HydrophobicContact CD1-CD1 4.49Å; Y316-V343 HydrophobicContact CD1-CG2 3.86Å; Y316-V343 HydrophobicContact CE1-CG2 3.46Å; Y316-V343 VanDerWaalsContact CE1-CG2 3.46Å; Y316-R346 PolarHBondContact OH-NH2 3.39Å; Y316-I363 HydrophobicContact CD2-CD1 4.45Å; Y316-I363 HydrophobicContact CD2-CG2 3.69Å; Y316-I363 HydrophobicContact CG-CG2 3.76Å; Y316-D364 CarbonylContact C-O 3.59Å; Y316-V365 HydrophobicContact CD1-CG2 4.24Å; Y316-V365 HydrophobicContact CG-CG2 4.48Å; Y316-V365 WeakPolarHBondContact O-CA 3.38Å; Y316-Q366 PolarHBondContact O-N 3.35Å
317K96.2Very high96.9Very high109 Ų10939.7 Ų39.747%0.47421%0.211SC..Hα-helixtrans-72.4-16.1-179.4-171.6-173171.9-161.50112.3R313 P314 L315 D364 Q366R313-K317 WeakPolarHBondContact O-CB 3.29Å; R313-K317 PolarHBondContact O-N 2.77Å; P314-K317 PolarHBondContact O-N 3.3Å; L315-K317 VanDerWaalsContact C-N 3.33Å; L315-K317 PolarHBondContact O-N 3.32Å; K317-D364 VanDerWaalsContact CA-O 3.28Å; K317-D364 WeakPolarHBondContact CA-O 3.41Å; K317-D364 HydrophobicContact CG-CB 4.38Å; K317-D364 PolarHBondContact N-O 3.01Å; K317-Q366 WeakPolarHBondContact O-CB 3.43Å
318N96.5Very high96.8Very high9 Ų940.8 Ų40.85%0.04822%0.215CC..  trans-140.469.7-175.3-169.629.9000111.5T164 G165 T166 P314 L315 Y316T164-N318 PolarHBondContact O-ND2 3.25Å; G165-N318 CarbonylContact C-O 3.6Å; G165-N318 WeakPolarHBondContact CA-O 3.27Å; T166-N318 PolarHBondContact N-O 2.68Å; P314-N318 PolarHBondContact O-N 3.47Å; P314-N318 VanDerWaalsContact O-N 3.12Å; L315-N318 CarbonylContact O-C 3.56Å; L315-N318 PolarHBondContact O-N 3.06Å; Y316-N318 PolarHBondContact O-N 3.28Å
319I98.2Very high96.7Very high0 Ų044.8 Ų44.80%022%0.222CC..EExtended strand (participates in β ladder)trans-92.3100.5176.1-56175.1000108.6T166 I168 V300 I304 L315 Y316 L339 V365 Q366 V367 I368T166-I319 CarbonylContact O-C 3.51Å; T166-I319 WeakPolarHBondContact O-CA 3.43Å; I168-I319 HydrophobicContact CD1-CG2 3.51Å; I168-I319 HydrophobicContact CG1-CG2 4.09Å; V300-I319 HydrophobicContact CG1-CD1 4.15Å; I304-I319 HydrophobicContact CD1-CD1 4.24Å; I304-I319 HydrophobicContact CD1-CG1 4.49Å; L315-I319 WeakPolarHBondContact O-CG1 3.45Å; Y316-I319 HydrophobicContact CD1-CD1 4.49Å; I319-L339 HydrophobicContact CD1-CD1 3.62Å; I319-V365 HydrophobicContact CD1-CG1 4.38Å; I319-Q366 WeakPolarHBondContact CB-O 3.47Å; I319-Q366 PolarHBondContact N-O 2.88Å; I319-V367 HydrophobicContact CB-CG2 4.17Å; I319-V367 HydrophobicContact CD1-CG2 4.41Å; I319-V367 HydrophobicContact CG2-CG2 4.24Å; I319-V367 CarbonylContact O-C 3.47Å; I319-V367 VanDerWaalsContact O-CA 3.32Å; I319-V367 WeakPolarHBondContact O-CA 3.45Å; I319-I368 PolarHBondContact O-N 3.32Å
320V97.2Very high96.7Very high0 Ų040.6 Ų40.60%020%0.201CC..EExtended strand (participates in β ladder)trans-90.5128.4-176174.50000110.6L149 T166 V167 I168 I368L149-V320 HydrophobicContact CD2-CB 4.3Å; L149-V320 HydrophobicContact CD2-CG2 3.7Å; T166-V320 PolarHBondContact O-N 3.18Å; V167-V320 CarbonylContact C-O 3.53Å; V167-V320 WeakPolarHBondContact CA-O 3.42Å; I168-V320 PolarHBondContact N-O 3Å; V320-I368 HydrophobicContact CG2-CB 4.18Å; V320-I368 HydrophobicContact CG2-CG1 4.38Å
321L97.5Very high96.8Very high0 Ų034.9 Ų34.90%017%0.17CC..EExtended strand (participates in β ladder)trans-85.9139.5171-59.5-171.5000111I168 T326 F331 L335 V367 I368 T369 Q373I168-L321 HydrophobicContact CB-CD2 3.9Å; I168-L321 HydrophobicContact CD1-CD2 3.93Å; I168-L321 HydrophobicContact CG1-CD2 4.44Å; I168-L321 HydrophobicContact CG2-CD2 4.36Å; L321-T326 HydrophobicContact CB-CG2 4.22Å; L321-T326 HydrophobicContact CD2-CG2 4.47Å; L321-F331 HydrophobicContact CD1-CD1 3.75Å; L321-F331 HydrophobicContact CD1-CE1 4.17Å; L321-F331 HydrophobicContact CD2-CE1 4.14Å; L321-L335 HydrophobicContact CD2-CD2 3.91Å; L321-V367 HydrophobicContact CD1-CG1 3.79Å; L321-V367 HydrophobicContact CD2-CG1 3.84Å; L321-V367 HydrophobicContact CG-CG1 3.64Å; L321-I368 PolarHBondContact N-O 2.72Å; L321-T369 HydrophobicContact CD1-CG2 4.04Å; L321-Q373 HydrophobicContact CB-CG 4.16Å; L321-Q373 WeakPolarHBondContact O-CG 3.17Å
322S96.1Very high96.8Very high2 Ų234.1 Ų34.11%0.01417%0.167CC..EExtended strand (participates in β ladder)trans-141.2153174.3173.20000110.4I168 D169 S170 T326I168-S322 PolarHBondContact O-N 3.13Å; D169-S322 WeakPolarHBondContact CA-O 3.5Å; D169-S322 WeakPolarHBondContact OD1-CB 3.4Å; D169-S322 PolarHBondContact OD1-OG 3.36Å; S170-S322 PolarHBondContact N-O 2.9Å; S322-T326 WeakPolarHBondContact O-CG2 3.46Å; S322-T326 PolarHBondContact O-OG1 3.32Å
323G95.4Very high96.8Very high8 Ų839.9 Ų39.98%0.08219%0.188CC..SBendtrans90.5154.1174.500000113.5S170 S325 T326 Q373S170-G323 CarbonylContact O-C 3.51Å; S170-G323 VanDerWaalsContact O-CA 3.32Å; S170-G323 WeakPolarHBondContact O-CA 3.35Å; G323-S325 VanDerWaalsContact C-N 3.28Å; G323-S325 PolarHBondContact O-N 2.77Å; G323-T326 PolarHBondContact O-N 3.04Å; G323-T326 VanDerWaalsContact O-N 3.12Å; G323-T326 PolarHBondContact O-OG1 3.48Å; G323-Q373 PolarHBondContact N-O 2.87Å
324G94.4Very high96.8Very high39 Ų3935.7 Ų35.740%0.40217%0.173SC..G310 helixtrans-61.2-31.3-171.400000114.5S170 T326 M327S170-G324 PolarHBondContact O-N 2.87Å; G324-T326 PolarHBondContact O-N 3.39Å; G324-M327 VanDerWaalsContact O-CB 3.25Å; G324-M327 WeakPolarHBondContact O-CB 3.27Å; G324-M327 PolarHBondContact O-N 2.98Å; G324-M327 VanDerWaalsContact O-N 3.12Å
325S96.3Very high96.9Very high7 Ų733.1 Ų33.15%0.04916%0.156CC..G310 helixtrans-74-13.3-179.4-59.50000112.7S170 G171 G197 G323 M327 F328S170-S325 WeakPolarHBondContact O-CB 3.42Å; S170-S325 PolarHBondContact O-N 3.11Å; S170-S325 VanDerWaalsContact OG-CB 3.23Å; S170-S325 WeakPolarHBondContact OG-CB 3.39Å; G171-S325 PolarHBondContact O-OG 2.81Å; G197-S325 VanDerWaalsContact CA-OG 3.23Å; G197-S325 WeakPolarHBondContact CA-OG 3.42Å; G197-S325 PolarHBondContact N-OG 2.85Å; G323-S325 VanDerWaalsContact C-N 3.28Å; G323-S325 PolarHBondContact O-N 2.77Å; S325-M327 VanDerWaalsContact C-N 3.32Å; S325-F328 WeakPolarHBondContact O-CD2 3.44Å; S325-F328 VanDerWaalsContact O-CE2 3.32Å; S325-F328 WeakPolarHBondContact O-CE2 3.18Å
326T96.9Very high96.9Very high3 Ų335.5 Ų35.52%0.01817%0.167CC..G310 helixtrans-84.9-5.7171.570.60000113.4L321 S322 G323 G324 F328 F331 Q373L321-T326 HydrophobicContact CB-CG2 4.22Å; L321-T326 HydrophobicContact CD2-CG2 4.47Å; S322-T326 WeakPolarHBondContact O-CG2 3.46Å; S322-T326 PolarHBondContact O-OG1 3.32Å; G323-T326 PolarHBondContact O-N 3.04Å; G323-T326 VanDerWaalsContact O-N 3.12Å; G323-T326 PolarHBondContact O-OG1 3.48Å; G324-T326 PolarHBondContact O-N 3.39Å; T326-F328 VanDerWaalsContact C-N 3.28Å; T326-F328 PolarHBondContact O-N 3.46Å; T326-F331 HydrophobicContact CG2-CE1 4.12Å; T326-Q373 PolarHBondContact O-NE2 3.32Å; T326-Q373 PolarHBondContact OG1-NE2 3.11Å
327M96.1Very high96.9Very high87 Ų8739 Ų3943%0.42918%0.18SC..G310 helixtrans-80.1-4.4-178.7-65.7-67.5-67.600113.7G324 S325 R329 Q373 R374G324-M327 VanDerWaalsContact O-CB 3.25Å; G324-M327 WeakPolarHBondContact O-CB 3.27Å; G324-M327 PolarHBondContact O-N 2.98Å; G324-M327 VanDerWaalsContact O-N 3.12Å; S325-M327 VanDerWaalsContact C-N 3.32Å; M327-R329 PolarHBondContact O-N 2.79Å; M327-Q373 HydrophobicContact CG-CB 4.39Å; M327-Q373 HydrophobicContact SD-CB 3.29Å; M327-Q373 WeakPolarHBondContact SD-CB 3.1Å; M327-Q373 HydrophobicContact SD-CG 4.4Å; M327-R374 HydrophobicContact CG-CB 4.15Å; M327-R374 HydrophobicContact SD-CB 4.37Å
328F96.8Very high97Very high23 Ų2334.8 Ų34.810%0.10116%0.163CC..SBendtrans-57.1133.2174.8-65.1-59.1000110I200 K228 V234 P279 F282 S325 T326 D330 F331I200-F328 HydrophobicContact CD1-CE2 3.67Å; I200-F328 HydrophobicContact CD1-CZ 4.07Å; I200-F328 HydrophobicContact CG2-CZ 4.35Å; K228-F328 HydrophobicContact CD-CZ 4.27Å; K228-F328 HydrophobicContact CG-CE1 4Å; K228-F328 HydrophobicContact CG-CZ 3.91Å; V234-F328 HydrophobicContact CG2-CB 4.05Å; P279-F328 HydrophobicContact CB-CB 4.36Å; P279-F328 HydrophobicContact CB-CD1 4.41Å; P279-F328 HydrophobicContact CB-CD2 3.7Å; P279-F328 HydrophobicContact CB-CE2 4.07Å; P279-F328 HydrophobicContact CB-CG 3.9Å; P279-F328 HydrophobicContact CG-CB 4.32Å; P279-F328 HydrophobicContact CG-CD1 3.63Å; P279-F328 HydrophobicContact CG-CD2 3.78Å; P279-F328 HydrophobicContact CG-CE1 3.8Å; P279-F328 HydrophobicContact CG-CE2 3.95Å; P279-F328 HydrophobicContact CG-CG 3.63Å; P279-F328 HydrophobicContact CG-CZ 3.95Å; F282-F328 HydrophobicContact CE2-CE2 4.45Å; S325-F328 WeakPolarHBondContact O-CD2 3.44Å; S325-F328 VanDerWaalsContact O-CE2 3.32Å; S325-F328 WeakPolarHBondContact O-CE2 3.18Å; T326-F328 VanDerWaalsContact C-N 3.28Å; T326-F328 PolarHBondContact O-N 3.46Å; F328-D330 PolarHBondContact O-N 3.15Å; F328-F331 HydrophobicContact CB-CB 4.24Å; F328-F331 WeakPolarHBondContact O-CB 3.43Å; F328-F331 PolarHBondContact O-N 3.17Å
329R96.3Very high97.1Very high152 Ų15234.4 Ų34.457%0.57416%0.161SC*.BIsolated β-bridgetrans-54.9136.6178.7-167.8-174.967-153.4-7109.5V234 M327 F331V234-R329 PolarHBondContact N-O 3.08Å; M327-R329 PolarHBondContact O-N 2.79Å; R329-F331 PolarHBondContact O-N 2.78Å
330D96.2Very high97.1Very high48 Ų4838.3 Ų38.326%0.25718%0.178SC..THydrogen-bonded Turntrans67.14.5-179.5-59.4-65.9000116.1F328 R333 R334F328-D330 PolarHBondContact O-N 3.15Å; D330-R333 PolarHBondContact O-N 2.83Å; D330-R333 IonicContact OD1-CZ 3.73Å; D330-R333 IonicContact OD1-NE 3.41Å; D330-R333 IonicContact OD1-NH1 3.95Å; D330-R333 PolarHBondContact OD1-NH1 3.31Å; D330-R334 WeakPolarHBondContact O-CB 3.39Å; D330-R334 PolarHBondContact O-N 2.9Å
331F97.8Very high97.1Very high1 Ų145.6 Ų45.60%0.00421%0.205CC..Hα-helixtrans-56.2-55.8178-176.8-85.2000112.6V234 F282 F283 I296 L321 T326 F328 R329 R333 R334 L335V234-F331 HydrophobicContact CG2-CB 3.93Å; V234-F331 HydrophobicContact CG2-CD2 3.85Å; V234-F331 HydrophobicContact CG2-CG 4.37Å; F282-F331 HydrophobicContact CB-CE2 4.15Å; F282-F331 HydrophobicContact CD2-CD2 4.44Å; F282-F331 AromaticContact CD2-CE2 3.58Å; F282-F331 HydrophobicContact CD2-CE2 3.58Å; F282-F331 HydrophobicContact CD2-CZ 4.41Å; F282-F331 HydrophobicContact CE2-CE2 4.04Å; F282-F331 AromaticContact CG-CE2 3.9Å; F282-F331 HydrophobicContact CG-CE2 3.9Å; F282-F331 HydrophobicContact CG-CZ 4.46Å; F283-F331 HydrophobicContact CE2-CD2 4.17Å; F283-F331 HydrophobicContact CE2-CE2 4.21Å; F283-F331 HydrophobicContact CZ-CD2 4.34Å; F283-F331 HydrophobicContact CZ-CE2 4.3Å; I296-F331 HydrophobicContact CD1-CZ 4.09Å; L321-F331 HydrophobicContact CD1-CD1 3.75Å; L321-F331 HydrophobicContact CD1-CE1 4.17Å; L321-F331 HydrophobicContact CD2-CE1 4.14Å; T326-F331 HydrophobicContact CG2-CE1 4.12Å; F328-F331 HydrophobicContact CB-CB 4.24Å; F328-F331 WeakPolarHBondContact O-CB 3.43Å; F328-F331 PolarHBondContact O-N 3.17Å; R329-F331 PolarHBondContact O-N 2.78Å; F331-R333 VanDerWaalsContact C-N 3.28Å; F331-R333 PolarHBondContact O-N 2.96Å; F331-R334 PolarHBondContact O-N 3.17Å; F331-L335 HydrophobicContact CE1-CD2 4.31Å; F331-L335 WeakPolarHBondContact O-CB 3.08Å; F331-L335 PolarHBondContact O-N 3.15Å
332G97.1Very high97.1Very high6 Ų647.8 Ų47.86%0.06222%0.219CC..Hα-helixtrans-62.3-34.8179.400000113.2Q336G332-Q336 VanDerWaalsContact O-CB 3.32Å; G332-Q336 WeakPolarHBondContact O-CB 3.34Å; G332-Q336 PolarHBondContact O-N 3.43Å
333R97.2Very high97.2Very high182 Ų18247.7 Ų47.769%0.68722%0.218SC*.Hα-helixtrans-66.9-45.9177-178.3-175.5-72162.6-9.2111.7D330 F331 R337D330-R333 PolarHBondContact O-N 2.83Å; D330-R333 IonicContact OD1-CZ 3.73Å; D330-R333 IonicContact OD1-NE 3.41Å; D330-R333 IonicContact OD1-NH1 3.95Å; D330-R333 PolarHBondContact OD1-NH1 3.31Å; F331-R333 VanDerWaalsContact C-N 3.28Å; F331-R333 PolarHBondContact O-N 2.96Å; R333-R337 WeakPolarHBondContact O-CB 3.41Å; R333-R337 PolarHBondContact O-N 3.15Å; R333-R337 VanDerWaalsContact O-N 3.1Å
334R97.7Very high97.3Very high19 Ų1950.2 Ų50.27%0.07223%0.23CC..Hα-helixtrans-60.1-49.9175.917667.8-177.8-88.7-8.6110.1V234 C235 E280 F283 D330 F331 R337 D338V234-R334 HydrophobicContact CG1-CB 3.52Å; V234-R334 HydrophobicContact CG1-CG 3.61Å; C235-R334 PolarHBondContact O-NH1 3.45Å; E280-R334 IonicContact OE1-CZ 2.98Å; E280-R334 IonicContact OE1-NH1 2.67Å; E280-R334 PolarHBondContact OE1-NH1 3.4Å; E280-R334 IonicContact OE1-NH2 3.85Å; E280-R334 PolarHBondContact OE1-NH2 3.11Å; E280-R334 IonicContact OE2-NH1 2.82Å; E280-R334 PolarHBondContact OE2-NH1 3.2Å; E280-R334 VanDerWaalsContact OE2-NH1 3.08Å; F283-R334 HydrophobicContact CD1-CG 3.82Å; F283-R334 HydrophobicContact CD2-CG 4.17Å; F283-R334 HydrophobicContact CE1-CB 4.22Å; F283-R334 HydrophobicContact CE1-CG 3.43Å; F283-R334 VanDerWaalsContact CE1-CG 3.43Å; F283-R334 HydrophobicContact CE2-CB 4.41Å; F283-R334 HydrophobicContact CE2-CG 3.81Å; F283-R334 HydrophobicContact CG-CG 4.18Å; F283-R334 HydrophobicContact CZ-CB 3.89Å; F283-R334 HydrophobicContact CZ-CG 3.43Å; F283-R334 VanDerWaalsContact CZ-CG 3.43Å; D330-R334 WeakPolarHBondContact O-CB 3.39Å; D330-R334 PolarHBondContact O-N 2.9Å; F331-R334 PolarHBondContact O-N 3.17Å; R334-R337 PolarHBondContact O-N 3.15Å; R334-D338 WeakPolarHBondContact CD-OD2 3.41Å; R334-D338 IonicContact CZ-OD2 2.89Å; R334-D338 IonicContact NE-OD1 3.07Å; R334-D338 IonicContact NE-OD2 3.14Å; R334-D338 PolarHBondContact NE-OD2 3Å; R334-D338 IonicContact NH2-OD2 3.47Å; R334-D338 PolarHBondContact O-N 2.94Å
335L98.4Very high97.4Very high0 Ų051.2 Ų51.20%023%0.234CC..Hα-helixtrans-59-49.4179.2178.362.7000112.4I168 F283 I296 L321 F331 R337 D338 L339 V367I168-L335 HydrophobicContact CD1-CD2 3.36Å; F283-L335 HydrophobicContact CE1-CB 4.33Å; F283-L335 HydrophobicContact CZ-CB 4.41Å; I296-L335 HydrophobicContact CG2-CD1 4.13Å; L321-L335 HydrophobicContact CD2-CD2 3.91Å; F331-L335 HydrophobicContact CE1-CD2 4.31Å; F331-L335 WeakPolarHBondContact O-CB 3.08Å; F331-L335 PolarHBondContact O-N 3.15Å; L335-R337 VanDerWaalsContact C-N 3.32Å; L335-R337 PolarHBondContact O-N 2.8Å; L335-D338 PolarHBondContact O-N 3.41Å; L335-L339 HydrophobicContact CD1-CD1 3.73Å; L335-L339 HydrophobicContact CD1-CG 4.09Å; L335-L339 HydrophobicContact CG-CD1 3.82Å; L335-L339 WeakPolarHBondContact O-CB 3.47Å; L335-L339 PolarHBondContact O-N 3.43Å; L335-V367 HydrophobicContact CD2-CG1 4.21Å; L335-V367 HydrophobicContact CD2-CG2 4.2Å; L335-V367 HydrophobicContact CG-CG2 4.14Å
336Q98.4Very high97.4Very high50 Ų5053.6 Ų53.623%0.23424%0.242CC..Hα-helixtrans-59.8-43.4179.4-175.9167.4-41.400111.8G332 K340 V365 V367G332-Q336 VanDerWaalsContact O-CB 3.32Å; G332-Q336 WeakPolarHBondContact O-CB 3.34Å; G332-Q336 PolarHBondContact O-N 3.43Å; Q336-K340 WeakPolarHBondContact O-CB 3.21Å; Q336-K340 PolarHBondContact O-N 2.96Å; Q336-V365 HydrophobicContact CG-CG1 4.5Å; Q336-V365 PolarHBondContact NE2-O 3.02Å; Q336-V367 HydrophobicContact CB-CB 3.92Å; Q336-V367 HydrophobicContact CB-CG2 3.58Å; Q336-V367 HydrophobicContact CG-CG2 4.21Å
337R98Very high97.3Very high73 Ų7354.7 Ų54.728%0.27525%0.248SC..Hα-helixtrans-62-48.1179.1-178.5-163.670.4-174.76.8111.2P236 R333 R334 L335 K340 R341P236-R337 VanDerWaalsContact O-CZ 3.29Å; P236-R337 PolarHBondContact O-NH1 3.43Å; P236-R337 PolarHBondContact O-NH2 3.47Å; R333-R337 WeakPolarHBondContact O-CB 3.41Å; R333-R337 PolarHBondContact O-N 3.15Å; R333-R337 VanDerWaalsContact O-N 3.1Å; R334-R337 PolarHBondContact O-N 3.15Å; L335-R337 VanDerWaalsContact C-N 3.32Å; L335-R337 PolarHBondContact O-N 2.8Å; R337-K340 PolarHBondContact O-N 3.07Å; R337-R341 WeakPolarHBondContact O-CG 3.45Å; R337-R341 PolarHBondContact O-N 3.36Å
338D98.1Very high97.3Very high22 Ų2256.5 Ų56.512%0.11825%0.253CS..Hα-helixtrans-70.2-42.5-174.8-66.2-5000110.4R334 L335 K340 R341 T342R334-D338 WeakPolarHBondContact CD-OD2 3.41Å; R334-D338 IonicContact CZ-OD2 2.89Å; R334-D338 IonicContact NE-OD1 3.07Å; R334-D338 IonicContact NE-OD2 3.14Å; R334-D338 PolarHBondContact NE-OD2 3Å; R334-D338 IonicContact NH2-OD2 3.47Å; R334-D338 PolarHBondContact O-N 2.94Å; L335-D338 PolarHBondContact O-N 3.41Å; D338-K340 PolarHBondContact O-N 3.36Å; D338-R341 WeakPolarHBondContact O-CB 3.25Å; D338-R341 PolarHBondContact O-N 2.78Å; D338-T342 PolarHBondContact O-N 2.68Å; D338-T342 VanDerWaalsContact O-N 3.14Å; D338-T342 PolarHBondContact O-OG1 3.21Å
339L98.1Very high97.2Very high0 Ų059.8 Ų59.80%027%0.271CS..Hα-helixtrans-58.5-48170.6-83.4169000112.9S297 V300 D301 I319 L335 R341 T342 V343 V365 V367S297-L339 WeakPolarHBondContact O-CD2 3.47Å; V300-L339 HydrophobicContact CB-CD1 4.24Å; V300-L339 HydrophobicContact CB-CD2 4.03Å; V300-L339 HydrophobicContact CG1-CD1 3.75Å; V300-L339 HydrophobicContact CG1-CD2 3.94Å; V300-L339 HydrophobicContact CG1-CG 4.48Å; D301-L339 HydrophobicContact CB-CD2 3.94Å; I319-L339 HydrophobicContact CD1-CD1 3.62Å; L335-L339 HydrophobicContact CD1-CD1 3.73Å; L335-L339 HydrophobicContact CD1-CG 4.09Å; L335-L339 HydrophobicContact CG-CD1 3.82Å; L335-L339 WeakPolarHBondContact O-CB 3.47Å; L335-L339 PolarHBondContact O-N 3.43Å; L339-R341 VanDerWaalsContact C-N 3.26Å; L339-R341 PolarHBondContact O-N 2.87Å; L339-T342 PolarHBondContact O-N 3.18Å; L339-V343 VanDerWaalsContact O-CG2 3.29Å; L339-V343 WeakPolarHBondContact O-CG2 3.5Å; L339-V343 PolarHBondContact O-N 3.01Å; L339-V365 HydrophobicContact CB-CG1 3.98Å; L339-V367 HydrophobicContact CD1-CG2 4.43Å
340K98.1Very high97.1Very high83 Ų8355.2 Ų55.236%0.36126%0.262SS..Hα-helixtrans-59.2-39.9179.4177.9163.6177.247.10111.5Q336 R337 D338 V343 D344 V365Q336-K340 WeakPolarHBondContact O-CB 3.21Å; Q336-K340 PolarHBondContact O-N 2.96Å; R337-K340 PolarHBondContact O-N 3.07Å; D338-K340 PolarHBondContact O-N 3.36Å; K340-V343 PolarHBondContact O-N 2.93Å; K340-D344 WeakPolarHBondContact CE-OD2 3.44Å; K340-D344 VanDerWaalsContact CG-OD2 3.32Å; K340-D344 WeakPolarHBondContact CG-OD2 3.47Å; K340-D344 VanDerWaalsContact NZ-CG 3.3Å; K340-D344 IonicContact NZ-OD1 3.76Å; K340-D344 PolarHBondContact NZ-OD1 2.69Å; K340-D344 IonicContact NZ-OD2 2.66Å; K340-D344 PolarHBondContact NZ-OD2 3.5Å; K340-D344 VanDerWaalsContact O-CB 3.26Å; K340-D344 WeakPolarHBondContact O-CB 3.45Å; K340-D344 PolarHBondContact O-N 2.89Å; K340-V365 HydrophobicContact CB-CB 4.29Å; K340-V365 HydrophobicContact CB-CG1 4.48Å
341R97.8Very high97Very high152 Ų15256.1 Ų56.157%0.57427%0.265SS*.Hα-helixtrans-60.9-47.6175.3-75.6171.1172.8-178.1-4.1111.8R337 D338 L339 D344 A345R337-R341 WeakPolarHBondContact O-CG 3.45Å; R337-R341 PolarHBondContact O-N 3.36Å; D338-R341 WeakPolarHBondContact O-CB 3.25Å; D338-R341 PolarHBondContact O-N 2.78Å; L339-R341 VanDerWaalsContact C-N 3.26Å; L339-R341 PolarHBondContact O-N 2.87Å; R341-D344 PolarHBondContact O-N 3.14Å; R341-A345 VanDerWaalsContact O-CB 3.24Å; R341-A345 WeakPolarHBondContact O-CB 3.44Å; R341-A345 PolarHBondContact O-N 3.28Å
342T97.8Very high96.9Very high47 Ų4761.2 Ų61.229%0.28829%0.289SS..Hα-helixtrans-60.8-46.3177.7-58.60000111.6D301 D338 L339 A345 R346D301-T342 HydrophobicContact CB-CG2 4.38Å; D338-T342 PolarHBondContact O-N 2.68Å; D338-T342 VanDerWaalsContact O-N 3.14Å; D338-T342 PolarHBondContact O-OG1 3.21Å; L339-T342 PolarHBondContact O-N 3.18Å; T342-A345 PolarHBondContact O-N 2.89Å; T342-R346 PolarHBondContact O-N 3.44Å
343V98Very high96.8Very high0 Ų067.6 Ų67.60%032%0.321CS..Hα-helixtrans-62.8-50.3178.8172.80000111.3Y316 L339 K340 A345 R346 L347 I363 V365Y316-V343 HydrophobicContact CD1-CG2 3.86Å; Y316-V343 HydrophobicContact CE1-CG2 3.46Å; Y316-V343 VanDerWaalsContact CE1-CG2 3.46Å; L339-V343 VanDerWaalsContact O-CG2 3.29Å; L339-V343 WeakPolarHBondContact O-CG2 3.5Å; L339-V343 PolarHBondContact O-N 3.01Å; K340-V343 PolarHBondContact O-N 2.93Å; V343-A345 VanDerWaalsContact C-N 3.32Å; V343-A345 PolarHBondContact O-N 2.87Å; V343-R346 PolarHBondContact O-N 3.41Å; V343-L347 HydrophobicContact CG1-CD1 4.48Å; V343-L347 WeakPolarHBondContact O-CG 3.06Å; V343-L347 PolarHBondContact O-N 3.28Å; V343-I363 HydrophobicContact CG1-CB 3.71Å; V343-I363 HydrophobicContact CG1-CD1 3.93Å; V343-I363 HydrophobicContact CG1-CG1 4.32Å; V343-I363 HydrophobicContact CG1-CG2 4.06Å; V343-V365 HydrophobicContact CB-CG2 4.12Å; V343-V365 HydrophobicContact CG1-CG2 4.09Å; V343-V365 HydrophobicContact CG2-CG2 3.96Å
344D97.6Very high96.6Very high61 Ų6159.5 Ų59.533%0.32629%0.292SS..Hα-helixtrans-62.3-40.1-179.9-70.1-18000111.1K340 R341 L347 K348K340-D344 WeakPolarHBondContact CE-OD2 3.44Å; K340-D344 VanDerWaalsContact CG-OD2 3.32Å; K340-D344 WeakPolarHBondContact CG-OD2 3.47Å; K340-D344 VanDerWaalsContact NZ-CG 3.3Å; K340-D344 IonicContact NZ-OD1 3.76Å; K340-D344 PolarHBondContact NZ-OD1 2.69Å; K340-D344 IonicContact NZ-OD2 2.66Å; K340-D344 PolarHBondContact NZ-OD2 3.5Å; K340-D344 VanDerWaalsContact O-CB 3.26Å; K340-D344 WeakPolarHBondContact O-CB 3.45Å; K340-D344 PolarHBondContact O-N 2.89Å; R341-D344 PolarHBondContact O-N 3.14Å; D344-L347 PolarHBondContact O-N 3.13Å; D344-K348 WeakPolarHBondContact O-CB 3.27Å; D344-K348 PolarHBondContact O-N 3.05Å
345A97.1Very high96.4Very high59 Ų5961.6 Ų61.649%0.48832%0.32SS..Hα-helixtrans-62.3-43.9175.500000112.1R341 T342 V343 K348 L349R341-A345 VanDerWaalsContact O-CB 3.24Å; R341-A345 WeakPolarHBondContact O-CB 3.44Å; R341-A345 PolarHBondContact O-N 3.28Å; T342-A345 PolarHBondContact O-N 2.89Å; V343-A345 VanDerWaalsContact C-N 3.32Å; V343-A345 PolarHBondContact O-N 2.87Å; A345-K348 PolarHBondContact O-N 3.5Å; A345-L349 WeakPolarHBondContact O-CB 3.27Å; A345-L349 PolarHBondContact O-N 3.07Å
346R96.4Very high96Very high58 Ų5863.6 Ų63.622%0.21934%0.34CS..Hα-helixtrans-63.1-41.1175.7178.2173.655.5-124-7.1112.4D301 Q305 Y316 T342 V343 S350D301-R346 IonicContact OD1-CZ 3.45Å; D301-R346 IonicContact OD1-NH1 3.36Å; D301-R346 PolarHBondContact OD1-NH1 3.25Å; D301-R346 IonicContact OD1-NH2 2.68Å; D301-R346 PolarHBondContact OD1-NH2 2.95Å; D301-R346 IonicContact OD2-CZ 3.86Å; D301-R346 IonicContact OD2-NH1 3.75Å; D301-R346 PolarHBondContact OD2-NH1 2.87Å; D301-R346 IonicContact OD2-NH2 2.72Å; Q305-R346 VanDerWaalsContact NE2-CZ 3.29Å; Q305-R346 VanDerWaalsContact NE2-NH2 3.17Å; Y316-R346 PolarHBondContact OH-NH2 3.39Å; T342-R346 PolarHBondContact O-N 3.44Å; V343-R346 PolarHBondContact O-N 3.41Å; R346-S350 PolarHBondContact O-N 3.45Å; R346-S350 PolarHBondContact O-OG 3.28Å
347L95.5Very high95.6Very high26 Ų2671.7 Ų71.714%0.13637%0.369CS..Hα-helixtrans-64.8-43.6176.1-65.6-173.8000111.4V343 D344 L349 S350 E351 P360 I363V343-L347 HydrophobicContact CG1-CD1 4.48Å; V343-L347 WeakPolarHBondContact O-CG 3.06Å; V343-L347 PolarHBondContact O-N 3.28Å; D344-L347 PolarHBondContact O-N 3.13Å; L347-L349 PolarHBondContact O-N 2.75Å; L347-S350 WeakPolarHBondContact O-CB 3.08Å; L347-S350 PolarHBondContact O-N 3.06Å; L347-E351 PolarHBondContact O-N 3.42Å; L347-P360 HydrophobicContact CB-CB 4.45Å; L347-P360 HydrophobicContact CB-CG 4.03Å; L347-P360 HydrophobicContact CD2-CB 3.95Å; L347-P360 HydrophobicContact CD2-CG 4.42Å; L347-P360 WeakPolarHBondContact O-CG 3.47Å; L347-I363 HydrophobicContact CD1-CB 4.41Å; L347-I363 HydrophobicContact CD1-CD1 4.34Å; L347-I363 HydrophobicContact CD1-CG1 4.09Å; L347-I363 HydrophobicContact CD2-CD1 4.04Å
348K95.2Very high95.2Very high125 Ų12573.8 Ų73.854%0.54339%0.385SS..Hα-helixtrans-60-46.7176.6-168.7-170.8-177-120.60111.6D344 A345 S350 E351 E352D344-K348 WeakPolarHBondContact O-CB 3.27Å; D344-K348 PolarHBondContact O-N 3.05Å; A345-K348 PolarHBondContact O-N 3.5Å; K348-S350 VanDerWaalsContact C-N 3.27Å; K348-S350 PolarHBondContact O-N 2.89Å; K348-E351 PolarHBondContact O-N 3.44Å; K348-E352 WeakPolarHBondContact CE-OE1 3.3Å; K348-E352 IonicContact NZ-OE1 2.77Å; K348-E352 PolarHBondContact NZ-OE1 2.9Å; K348-E352 WeakPolarHBondContact O-CG 3.28Å; K348-E352 PolarHBondContact O-N 3.29Å
349L95.2Very high94.8Very high92 Ų9280.8 Ų80.848%0.48241%0.414SS..Hα-helixtrans-59.1-39.6176.4-179.462.5000111.7A345 L347 E352 L353A345-L349 WeakPolarHBondContact O-CB 3.27Å; A345-L349 PolarHBondContact O-N 3.07Å; L347-L349 PolarHBondContact O-N 2.75Å; L349-E352 PolarHBondContact O-N 2.93Å; L349-L353 HydrophobicContact CD1-CD1 4.13Å; L349-L353 HydrophobicContact CD1-CG 4.12Å; L349-L353 HydrophobicContact CG-CD1 3.93Å; L349-L353 HydrophobicContact CG-CG 4.35Å; L349-L353 WeakPolarHBondContact O-CB 3.03Å; L349-L353 VanDerWaalsContact O-CG 3.24Å; L349-L353 WeakPolarHBondContact O-CG 3.21Å; L349-L353 PolarHBondContact O-N 3.26Å
350S93.5Very high94.4Very high55 Ų5582.8 Ų82.839%0.38543%0.427SS..Hα-helixtrans-65.1-39177.6-56.30000112.4R346 L347 K348 S354R346-S350 PolarHBondContact O-N 3.45Å; R346-S350 PolarHBondContact O-OG 3.28Å; L347-S350 WeakPolarHBondContact O-CB 3.08Å; L347-S350 PolarHBondContact O-N 3.06Å; K348-S350 VanDerWaalsContact C-N 3.27Å; K348-S350 PolarHBondContact O-N 2.89Å; S350-S354 WeakPolarHBondContact O-CB 3.32Å; S350-S354 PolarHBondContact O-N 2.94Å
351E94.9Very high94.1Very high68 Ų6886.4 Ų86.432%0.31844%0.443SS..Hα-helixtrans-66-46.8174.5-178.1169.6-167.200111.2L347 K348 S354 G355 G356 K359 P360L347-E351 PolarHBondContact O-N 3.42Å; K348-E351 PolarHBondContact O-N 3.44Å; E351-S354 PolarHBondContact O-N 3.36Å; E351-S354 PolarHBondContact O-OG 3.47Å; E351-G355 PolarHBondContact O-N 3.27Å; E351-G356 PolarHBondContact O-N 3.33Å; E351-K359 WeakPolarHBondContact OE1-CG 3.41Å; E351-P360 HydrophobicContact CB-CG 4.45Å
352E95.3Very high94Very high107 Ų10784.3 Ų84.350%0.545%0.449SS..Hα-helixtrans-58.4-48.6177.4-72.2173.6-176.300111.4K348 L349 S354 G355K348-E352 WeakPolarHBondContact CE-OE1 3.3Å; K348-E352 IonicContact NZ-OE1 2.77Å; K348-E352 PolarHBondContact NZ-OE1 2.9Å; K348-E352 WeakPolarHBondContact O-CG 3.28Å; K348-E352 PolarHBondContact O-N 3.29Å; L349-E352 PolarHBondContact O-N 2.93Å; E352-S354 PolarHBondContact O-N 2.76Å; E352-G355 PolarHBondContact O-N 3.2Å
353L94.9Very high93.9Very high140 Ų14082.9 Ų82.973%0.73344%0.439SS*.Hα-helixtrans-64.7-26.4178.2-71.2174000113.3L349 G355L349-L353 HydrophobicContact CD1-CD1 4.13Å; L349-L353 HydrophobicContact CD1-CG 4.12Å; L349-L353 HydrophobicContact CG-CD1 3.93Å; L349-L353 HydrophobicContact CG-CG 4.35Å; L349-L353 WeakPolarHBondContact O-CB 3.03Å; L349-L353 VanDerWaalsContact O-CG 3.24Å; L349-L353 WeakPolarHBondContact O-CG 3.21Å; L349-L353 PolarHBondContact O-N 3.26Å; L353-G355 VanDerWaalsContact C-N 3.27Å
354S93.7Very high93.8Very high13 Ų1386.6 Ų86.69%0.09146%0.459CS..THydrogen-bonded Turntrans-80.2-7.7174.980.30000113.6S350 E351 E352 G356 R357 L358S350-S354 WeakPolarHBondContact O-CB 3.32Å; S350-S354 PolarHBondContact O-N 2.94Å; E351-S354 PolarHBondContact O-N 3.36Å; E351-S354 PolarHBondContact O-OG 3.47Å; E352-S354 PolarHBondContact O-N 2.76Å; S354-G356 VanDerWaalsContact C-N 3.28Å; S354-G356 PolarHBondContact OG-N 3.2Å; S354-R357 WeakPolarHBondContact O-CB 3.48Å; S354-R357 WeakPolarHBondContact O-CG 3.28Å; S354-R357 PolarHBondContact O-N 2.97Å; S354-R357 PolarHBondContact O-NE 3.12Å; S354-R357 PolarHBondContact OG-N 3.01Å; S354-L358 PolarHBondContact OG-N 3.16Å; S354-L358 PolarHBondContact OG-O 3.45Å
355G93Very high93.8Very high63 Ų6383.9 Ų83.965%0.64945%0.445SS*.THydrogen-bonded Turntrans6433.6-17000000112.4E351 E352 L353 R357E351-G355 PolarHBondContact O-N 3.27Å; E352-G355 PolarHBondContact O-N 3.2Å; L353-G355 VanDerWaalsContact C-N 3.27Å; G355-R357 PolarHBondContact O-N 3.18Å
356G89.2Confident93.8Very high41 Ų4184.1 Ų84.142%0.42344%0.436SS..THydrogen-bonded Turntrans75.33.4-17700000115.4E351 S354 L358E351-G356 PolarHBondContact O-N 3.33Å; S354-G356 VanDerWaalsContact C-N 3.28Å; S354-G356 PolarHBondContact OG-N 3.2Å; G356-L358 VanDerWaalsContact C-N 3.33Å
357R90.3Very high93.8Very high220 Ų22081.5 Ų81.583%0.8343%0.426SS*.SBendtrans-70-30.3177.2-71.8-179.8-90.3-173.8-11.3112.7S354 G355S354-R357 WeakPolarHBondContact O-CB 3.48Å; S354-R357 WeakPolarHBondContact O-CG 3.28Å; S354-R357 PolarHBondContact O-N 2.97Å; S354-R357 PolarHBondContact O-NE 3.12Å; S354-R357 PolarHBondContact OG-N 3.01Å; G355-R357 PolarHBondContact O-N 3.18Å
358L88.9Confident93.8Very high118 Ų11880.5 Ų80.562%0.61842%0.421SS*.  trans-108.3113.7175.2-62.4171.9000108.5S354 G356 P360S354-L358 PolarHBondContact OG-N 3.16Å; S354-L358 PolarHBondContact OG-O 3.45Å; G356-L358 VanDerWaalsContact C-N 3.33Å; L358-P360 WeakPolarHBondContact O-CD 3.27Å
359K89.8Confident93.7Very high169 Ų16977 Ų7774%0.73541%0.41SS*.  trans-9695.2166.6-91.3-176.5174.21800109.4E351 K361E351-K359 WeakPolarHBondContact OE1-CG 3.41Å; K359-K361 PolarHBondContact O-N 3.48Å
360P89.9Confident93.4Very high41 Ų4173.3 Ų73.327%0.26639%0.39SS..PPolyproline II helixtrans-63.6133-179.824.7-31.3000110.1L347 E351 L358L347-P360 HydrophobicContact CB-CB 4.45Å; L347-P360 HydrophobicContact CB-CG 4.03Å; L347-P360 HydrophobicContact CD2-CB 3.95Å; L347-P360 HydrophobicContact CD2-CG 4.42Å; L347-P360 WeakPolarHBondContact O-CG 3.47Å; E351-P360 HydrophobicContact CB-CG 4.45Å; L358-P360 WeakPolarHBondContact O-CD 3.27Å
361K92.9Very high93.1Very high160 Ų16077.3 Ų77.370%0.69640%0.403SS*.PPolyproline II helixtrans-61133.3170.5-69-176179.5-179.30108.9R313 K359 I363R313-K361 PolarHBondContact NH1-O 3.46Å; R313-K361 PolarHBondContact NH2-O 2.97Å; K359-K361 PolarHBondContact O-N 3.48Å; K361-I363 PolarHBondContact O-N 3.11Å
362P94.1Very high92.7Very high108 Ų10874.3 Ų74.370%0.70139%0.389SS*.PPolyproline II helixtrans-49.4142.9173.2-27.434.9000111.1R313R313-P362 PolarHBondContact NH1-O 3.06Å
363I96.7Very high92.6Very high16 Ų1669.8 Ų69.88%0.08237%0.367CS..PPolyproline II helixtrans-95.6125.9171.2-66.5171.7000106.4R313 Y316 V343 L347 K361 V365R313-I363 HydrophobicContact CG-CG1 4.29Å; Y316-I363 HydrophobicContact CD2-CD1 4.45Å; Y316-I363 HydrophobicContact CD2-CG2 3.69Å; Y316-I363 HydrophobicContact CG-CG2 3.76Å; V343-I363 HydrophobicContact CG1-CB 3.71Å; V343-I363 HydrophobicContact CG1-CD1 3.93Å; V343-I363 HydrophobicContact CG1-CG1 4.32Å; V343-I363 HydrophobicContact CG1-CG2 4.06Å; L347-I363 HydrophobicContact CD1-CB 4.41Å; L347-I363 HydrophobicContact CD1-CD1 4.34Å; L347-I363 HydrophobicContact CD1-CG1 4.09Å; L347-I363 HydrophobicContact CD2-CD1 4.04Å; K361-I363 PolarHBondContact O-N 3.11Å; I363-V365 HydrophobicContact CG2-CG2 4.17Å; I363-V365 PolarHBondContact O-N 3.47Å
364D95.7Very high92.6Very high79 Ų7969.2 Ų69.242%0.42236%0.356SS..PPolyproline II helixtrans-77.4117.2173.1-170.715.7000108.3Y316 K317 Q366Y316-D364 CarbonylContact C-O 3.59Å; K317-D364 VanDerWaalsContact CA-O 3.28Å; K317-D364 WeakPolarHBondContact CA-O 3.41Å; K317-D364 HydrophobicContact CG-CB 4.38Å; K317-D364 PolarHBondContact N-O 3.01Å; D364-Q366 PolarHBondContact OD1-NE2 3.21Å
365V97.9Very high92.6Very high3 Ų370.2 Ų70.22%0.01836%0.358CS..  trans-109.3111-179.2-179.50000107.4Y316 I319 Q336 L339 K340 V343 I363Y316-V365 HydrophobicContact CD1-CG2 4.24Å; Y316-V365 HydrophobicContact CG-CG2 4.48Å; Y316-V365 WeakPolarHBondContact O-CA 3.38Å; I319-V365 HydrophobicContact CD1-CG1 4.38Å; Q336-V365 HydrophobicContact CG-CG1 4.5Å; Q336-V365 PolarHBondContact NE2-O 3.02Å; L339-V365 HydrophobicContact CB-CG1 3.98Å; K340-V365 HydrophobicContact CB-CB 4.29Å; K340-V365 HydrophobicContact CB-CG1 4.48Å; V343-V365 HydrophobicContact CB-CG2 4.12Å; V343-V365 HydrophobicContact CG1-CG2 4.09Å; V343-V365 HydrophobicContact CG2-CG2 3.96Å; I363-V365 HydrophobicContact CG2-CG2 4.17Å; I363-V365 PolarHBondContact O-N 3.47Å
366Q96.9Very high92.7Very high65 Ų6567.3 Ų67.330%0.30433%0.327SS..  trans-127.8122.7-179.1-57.8-68.4-22.300109.8Y316 K317 I319 D364 I368Y316-Q366 PolarHBondContact O-N 3.35Å; K317-Q366 WeakPolarHBondContact O-CB 3.43Å; I319-Q366 WeakPolarHBondContact CB-O 3.47Å; I319-Q366 PolarHBondContact N-O 2.88Å; D364-Q366 PolarHBondContact OD1-NE2 3.21Å; Q366-I368 HydrophobicContact CB-CD1 4.12Å
367V97.4Very high93.1Very high2 Ų265.6 Ų65.61%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-98.7113.2169.4179.20000107.6I319 L321 L335 Q336 L339I319-V367 HydrophobicContact CB-CG2 4.17Å; I319-V367 HydrophobicContact CD1-CG2 4.41Å; I319-V367 HydrophobicContact CG2-CG2 4.24Å; I319-V367 CarbonylContact O-C 3.47Å; I319-V367 VanDerWaalsContact O-CA 3.32Å; I319-V367 WeakPolarHBondContact O-CA 3.45Å; L321-V367 HydrophobicContact CD1-CG1 3.79Å; L321-V367 HydrophobicContact CD2-CG1 3.84Å; L321-V367 HydrophobicContact CG-CG1 3.64Å; L335-V367 HydrophobicContact CD2-CG1 4.21Å; L335-V367 HydrophobicContact CD2-CG2 4.2Å; L335-V367 HydrophobicContact CG-CG2 4.14Å; Q336-V367 HydrophobicContact CB-CB 3.92Å; Q336-V367 HydrophobicContact CB-CG2 3.58Å; Q336-V367 HydrophobicContact CG-CG2 4.21Å; L339-V367 HydrophobicContact CD1-CG2 4.43Å
368I95.4Very high93.4Very high5 Ų555.1 Ų55.13%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-84.4119.2-176.5-51.1-56.3000109.2Q157 V158 I319 V320 L321 Q366Q157-I368 HydrophobicContact CB-CD1 3.83Å; Q157-I368 HydrophobicContact CB-CG2 4.42Å; V158-I368 HydrophobicContact CG2-CD1 4.29Å; V158-I368 HydrophobicContact CG2-CG1 4.22Å; V158-I368 HydrophobicContact CG2-CG2 3.75Å; I319-I368 PolarHBondContact O-N 3.32Å; V320-I368 HydrophobicContact CG2-CB 4.18Å; V320-I368 HydrophobicContact CG2-CG1 4.38Å; L321-I368 PolarHBondContact N-O 2.72Å; Q366-I368 HydrophobicContact CB-CD1 4.12Å
369T92.6Very high93.8Very high53 Ų5350.2 Ų50.233%0.32524%0.243SC..  trans-110.9141.9174.160.20000109.7S155 Q157 L321S155-T369 PolarHBondContact OG-O 3.5Å; Q157-T369 PolarHBondContact OE1-O 3.39Å; L321-T369 HydrophobicContact CD1-CG2 4.04Å
370H88.7Confident94.1Very high13 Ų1342.1 Ų42.16%0.0621%0.208CC..  trans-148.6154.3174.869.6103000111.3M372 Q373H370-M372 PolarHBondContact ND1-N 3.44Å; H370-M372 PolarHBondContact O-N 3.03Å; H370-M372 VanDerWaalsContact O-N 3.08Å; H370-Q373 PolarHBondContact CE1-N 2.98Å; H370-Q373 VanDerWaalsContact CE1-N 3.34Å; H370-Q373 WeakPolarHBondContact O-CB 3.45Å; H370-Q373 VanDerWaalsContact O-CG 3.26Å; H370-Q373 WeakPolarHBondContact O-CG 3.44Å; H370-Q373 PolarHBondContact O-N 3.09Å; H370-Q373 VanDerWaalsContact O-N 3.08Å; H370-Q373 PolarHBondContact O-OE1 3.2Å
371H86.6Confident94.3Very high140 Ų14040.2 Ų40.265%0.64820%0.195SC*.THydrogen-bonded Turntrans-61-22.1-174.262.9-75.3000114.2
372M87.9Confident94.5Very high5 Ų532.7 Ų32.73%0.02516%0.163CC..THydrogen-bonded Turntrans-94.27.8179.7-59.7-166.9-78.700113.9H370 R374 Y375 A376 F379H370-M372 PolarHBondContact ND1-N 3.44Å; H370-M372 PolarHBondContact O-N 3.03Å; H370-M372 VanDerWaalsContact O-N 3.08Å; M372-R374 PolarHBondContact O-N 2.98Å; M372-Y375 HydrophobicContact CB-CD2 3.98Å; M372-Y375 HydrophobicContact CB-CE2 3.53Å; M372-Y375 HydrophobicContact CG-CD2 4.39Å; M372-Y375 HydrophobicContact CG-CE2 3.47Å; M372-Y375 VanDerWaalsContact CG-CE2 3.47Å; M372-Y375 CarbonylContact O-C 3.33Å; M372-Y375 VanDerWaalsContact O-C 3.23Å; M372-Y375 PolarHBondContact O-N 3.45Å; M372-Y375 HydrophobicContact SD-CE2 3.58Å; M372-Y375 VanDerWaalsContact SD-CE2 3.58Å; M372-A376 WeakPolarHBondContact O-CA 3.17Å; M372-A376 PolarHBondContact O-N 2.99Å; M372-F379 HydrophobicContact CE-CD1 3.23Å; M372-F379 HydrophobicContact CE-CD2 3.81Å; M372-F379 HydrophobicContact CE-CE1 3.09Å; M372-F379 HydrophobicContact CE-CE2 3.71Å; M372-F379 HydrophobicContact CE-CG 3.59Å; M372-F379 HydrophobicContact CE-CZ 3.36Å; M372-F379 HydrophobicContact SD-CB 4.26Å; M372-F379 HydrophobicContact SD-CD1 3.95Å; M372-F379 HydrophobicContact SD-CD2 3.73Å; M372-F379 HydrophobicContact SD-CE1 4.25Å; M372-F379 HydrophobicContact SD-CE2 4.07Å; M372-F379 HydrophobicContact SD-CG 3.67Å; M372-F379 HydrophobicContact SD-CZ 4.32Å
373Q92.5Very high94.5Very high11 Ų1130.2 Ų30.25%0.05114%0.142CC..G310 helixtrans-45.3-39.5179-94.2174.1-11700113.5L321 G323 T326 M327 H370 Y375 A376L321-Q373 HydrophobicContact CB-CG 4.16Å; L321-Q373 WeakPolarHBondContact O-CG 3.17Å; G323-Q373 PolarHBondContact N-O 2.87Å; T326-Q373 PolarHBondContact O-NE2 3.32Å; T326-Q373 PolarHBondContact OG1-NE2 3.11Å; M327-Q373 HydrophobicContact CG-CB 4.39Å; M327-Q373 HydrophobicContact SD-CB 3.29Å; M327-Q373 WeakPolarHBondContact SD-CB 3.1Å; M327-Q373 HydrophobicContact SD-CG 4.4Å; H370-Q373 PolarHBondContact CE1-N 2.98Å; H370-Q373 VanDerWaalsContact CE1-N 3.34Å; H370-Q373 WeakPolarHBondContact O-CB 3.45Å; H370-Q373 VanDerWaalsContact O-CG 3.26Å; H370-Q373 WeakPolarHBondContact O-CG 3.44Å; H370-Q373 PolarHBondContact O-N 3.09Å; H370-Q373 VanDerWaalsContact O-N 3.08Å; H370-Q373 PolarHBondContact O-OE1 3.2Å; Q373-Y375 PolarHBondContact O-N 3.24Å; Q373-Y375 VanDerWaalsContact O-N 3.14Å; Q373-A376 PolarHBondContact O-N 3.45Å
374R93.8Very high94.3Very high128 Ų12829.6 Ų29.648%0.48314%0.139SC..G310 helixtrans-55.8-29.7177.2-177.7178.8178.4-170.90.2113.6K18 M327 M372K18-R374 VanDerWaalsContact CE-O 3.22Å; K18-R374 WeakPolarHBondContact CE-O 3.31Å; M327-R374 HydrophobicContact CG-CB 4.15Å; M327-R374 HydrophobicContact SD-CB 4.37Å; M372-R374 PolarHBondContact O-N 2.98Å
375Y94.4Very high94.3Very high35 Ų3525.9 Ų25.914%0.13712%0.119CC..G310 helixtrans-138.830-176.553.3-103.3000111.9T25 E26 P27 M372 Q373 V377 W378 F379T25-Y375 WeakPolarHBondContact O-CE2 3.45Å; E26-Y375 HydrophobicContact CB-CE2 4.11Å; P27-Y375 HydrophobicContact CG-CD1 4.47Å; P27-Y375 HydrophobicContact CG-CG 4.22Å; M372-Y375 HydrophobicContact CB-CD2 3.98Å; M372-Y375 HydrophobicContact CB-CE2 3.53Å; M372-Y375 HydrophobicContact CG-CD2 4.39Å; M372-Y375 HydrophobicContact CG-CE2 3.47Å; M372-Y375 VanDerWaalsContact CG-CE2 3.47Å; M372-Y375 CarbonylContact O-C 3.33Å; M372-Y375 VanDerWaalsContact O-C 3.23Å; M372-Y375 PolarHBondContact O-N 3.45Å; M372-Y375 HydrophobicContact SD-CE2 3.58Å; M372-Y375 VanDerWaalsContact SD-CE2 3.58Å; Q373-Y375 PolarHBondContact O-N 3.24Å; Q373-Y375 VanDerWaalsContact O-N 3.14Å; Y375-V377 VanDerWaalsContact C-N 3.3Å; Y375-V377 PolarHBondContact O-N 3.26Å; Y375-W378 PolarHBondContact O-N 2.92Å; Y375-W378 VanDerWaalsContact O-N 3.1Å; Y375-F379 HydrophobicContact CD2-CB 4.16Å; Y375-F379 PolarHBondContact O-N 3.48Å
376A96.1Very high94.1Very high1 Ų128.7 Ų28.71%0.00814%0.139CC..Hα-helixtrans-57.3-44.8-173.800000111.5A151 M372 Q373 F379 G380A151-A376 HydrophobicContact CB-CB 4.12Å; A151-A376 WeakPolarHBondContact CB-O 3.49Å; M372-A376 WeakPolarHBondContact O-CA 3.17Å; M372-A376 PolarHBondContact O-N 2.99Å; Q373-A376 PolarHBondContact O-N 3.45Å; A376-F379 PolarHBondContact O-N 2.89Å; A376-G380 PolarHBondContact O-N 3.26Å
377V96.5Very high93.9Very high5 Ų527.2 Ų27.23%0.0314%0.135CC..Hα-helixtrans-52.7-56.7173.8173.80000111.3D11 T113 Q144 L147 A148 Y375 F379 G380 G381D11-V377 HydrophobicContact CB-CG1 4.31Å; T113-V377 HydrophobicContact CG2-CG1 3.71Å; Q144-V377 HydrophobicContact CB-CG1 4.01Å; Q144-V377 HydrophobicContact CB-CG2 3.94Å; Q144-V377 HydrophobicContact CG-CG1 3.72Å; Q144-V377 HydrophobicContact CG-CG2 4.36Å; L147-V377 HydrophobicContact CB-CG1 4.46Å; L147-V377 WeakPolarHBondContact CB-O 3.13Å; L147-V377 HydrophobicContact CD1-CG1 4.11Å; A148-V377 HydrophobicContact CB-CG2 4.44Å; Y375-V377 VanDerWaalsContact C-N 3.3Å; Y375-V377 PolarHBondContact O-N 3.26Å; V377-F379 VanDerWaalsContact C-N 3.31Å; V377-F379 PolarHBondContact O-N 3.33Å; V377-G380 PolarHBondContact O-N 3.37Å; V377-G381 PolarHBondContact O-N 3.43Å
378W97.8Very high93.6Very high0 Ų029.8 Ų29.80%015%0.152CC..Hα-helixtrans-59.2-43-179.9-176.391.7000111.7V9 D11 K18 N24 E26 P27 Y375 G381 S382V9-W378 HydrophobicContact CB-CZ2 4.35Å; V9-W378 HydrophobicContact CG1-CD2 4.47Å; V9-W378 HydrophobicContact CG1-CG 4.17Å; V9-W378 PolarHBondContact O-NE1 3.42Å; D11-W378 HydrophobicContact CB-CB 3.98Å; D11-W378 HydrophobicContact CB-CG 4.49Å; K18-W378 HydrophobicContact CB-CB 4.09Å; K18-W378 HydrophobicContact CB-CG 4.03Å; K18-W378 HydrophobicContact CD-CB 4.27Å; K18-W378 VanDerWaalsContact O-CD1 3.23Å; N24-W378 HydrophobicContact CB-CH2 3.99Å; E26-W378 VanDerWaalsContact C-CH2 3.5Å; E26-W378 VanDerWaalsContact O-CH2 3.22Å; E26-W378 WeakPolarHBondContact O-CH2 3.3Å; E26-W378 WeakPolarHBondContact O-CZ3 3.42Å; P27-W378 HydrophobicContact CB-CD2 3.72Å; P27-W378 HydrophobicContact CB-CE3 4.05Å; P27-W378 HydrophobicContact CB-CG 4.13Å; P27-W378 HydrophobicContact CB-CZ2 4.25Å; P27-W378 HydrophobicContact CB-CZ3 4.46Å; P27-W378 HydrophobicContact CG-CD2 4.36Å; P27-W378 HydrophobicContact CG-CE3 4.36Å; P27-W378 VanDerWaalsContact N-CZ3 3.29Å; Y375-W378 PolarHBondContact O-N 2.92Å; Y375-W378 VanDerWaalsContact O-N 3.1Å; W378-G381 CarbonylContact O-C 3.48Å; W378-G381 WeakPolarHBondContact O-CA 3.45Å; W378-G381 PolarHBondContact O-N 2.81Å; W378-S382 PolarHBondContact O-N 3.16Å
379F96.5Very high93.4Very high15 Ų1533.5 Ų33.57%0.06617%0.169CC..Hα-helixtrans-65.6-41.3178.8175.4-108.1000112.3T25 A151 T154 M372 Y375 A376 V377 G381 S382 M383T25-F379 HydrophobicContact CG2-CE2 4.21Å; T25-F379 VanDerWaalsContact O-CD2 3.26Å; T25-F379 WeakPolarHBondContact O-CD2 3.33Å; A151-F379 HydrophobicContact CB-CD1 3.75Å; A151-F379 HydrophobicContact CB-CE1 4.48Å; T154-F379 HydrophobicContact CG2-CE1 3.57Å; T154-F379 HydrophobicContact CG2-CZ 3.8Å; M372-F379 HydrophobicContact CE-CD1 3.23Å; M372-F379 HydrophobicContact CE-CD2 3.81Å; M372-F379 HydrophobicContact CE-CE1 3.09Å; M372-F379 HydrophobicContact CE-CE2 3.71Å; M372-F379 HydrophobicContact CE-CG 3.59Å; M372-F379 HydrophobicContact CE-CZ 3.36Å; M372-F379 HydrophobicContact SD-CB 4.26Å; M372-F379 HydrophobicContact SD-CD1 3.95Å; M372-F379 HydrophobicContact SD-CD2 3.73Å; M372-F379 HydrophobicContact SD-CE1 4.25Å; M372-F379 HydrophobicContact SD-CE2 4.07Å; M372-F379 HydrophobicContact SD-CG 3.67Å; M372-F379 HydrophobicContact SD-CZ 4.32Å; Y375-F379 HydrophobicContact CD2-CB 4.16Å; Y375-F379 PolarHBondContact O-N 3.48Å; A376-F379 PolarHBondContact O-N 2.89Å; V377-F379 VanDerWaalsContact C-N 3.31Å; V377-F379 PolarHBondContact O-N 3.33Å; F379-G381 VanDerWaalsContact C-N 3.27Å; F379-G381 PolarHBondContact O-N 3.2Å; F379-S382 WeakPolarHBondContact O-CB 3.42Å; F379-S382 PolarHBondContact O-N 2.95Å; F379-S382 VanDerWaalsContact O-N 3.17Å; F379-M383 HydrophobicContact CD1-CG 4.39Å; F379-M383 HydrophobicContact CD1-SD 3.92Å; F379-M383 HydrophobicContact CE1-CG 3.83Å; F379-M383 HydrophobicContact CE1-SD 3.17Å; F379-M383 WeakPolarHBondContact CE1-SD 3.27Å; F379-M383 HydrophobicContact CE2-CG 3.98Å; F379-M383 HydrophobicContact CE2-SD 4.38Å; F379-M383 HydrophobicContact CZ-CG 3.59Å; F379-M383 HydrophobicContact CZ-SD 3.45Å; F379-M383 WeakPolarHBondContact CZ-SD 3.18Å; F379-M383 WeakPolarHBondContact O-CG 3.17Å; F379-M383 PolarHBondContact O-N 2.86Å
380G95.2Very high93.4Very high0 Ų031 Ų310%015%0.153CC..Hα-helixtrans-60.6-38.6172.100000112L147 A376 V377 M383 L384L147-G380 WeakPolarHBondContact O-CA 3.35Å; A376-G380 PolarHBondContact O-N 3.26Å; V377-G380 PolarHBondContact O-N 3.37Å; G380-M383 PolarHBondContact O-N 3.48Å; G380-L384 WeakPolarHBondContact O-CB 3.17Å; G380-L384 PolarHBondContact O-N 3.41Å
381G96Very high93.6Very high0 Ų032.5 Ų32.50%016%0.159CC..Hα-helixtrans-63.1-43.1171.700000112.7V377 W378 F379 L384 A385V377-G381 PolarHBondContact O-N 3.43Å; W378-G381 CarbonylContact O-C 3.48Å; W378-G381 WeakPolarHBondContact O-CA 3.45Å; W378-G381 PolarHBondContact O-N 2.81Å; F379-G381 VanDerWaalsContact C-N 3.27Å; F379-G381 PolarHBondContact O-N 3.2Å; G381-L384 PolarHBondContact O-N 2.99Å; G381-A385 VanDerWaalsContact O-CB 3.23Å; G381-A385 WeakPolarHBondContact O-CB 3.28Å; G381-A385 PolarHBondContact O-N 3.14Å
382S96.8Very high93.8Very high2 Ų233.3 Ų33.31%0.01416%0.163CC..Hα-helixtrans-61.8-44.3174.9179.30000111.9G23 N24 W378 F379 S386G23-S382 PolarHBondContact N-OG 3.27Å; N24-S382 PolarHBondContact N-OG 3.25Å; N24-S382 PolarHBondContact O-OG 2.94Å; W378-S382 PolarHBondContact O-N 3.16Å; F379-S382 WeakPolarHBondContact O-CB 3.42Å; F379-S382 PolarHBondContact O-N 2.95Å; F379-S382 VanDerWaalsContact O-N 3.17Å; S382-S386 WeakPolarHBondContact O-CB 3.34Å; S382-S386 PolarHBondContact O-N 3.49Å; S382-S386 VanDerWaalsContact O-N 3.15Å; S382-S386 PolarHBondContact O-OG 2.63Å
383M93.9Very high93.9Very high56 Ų5634.8 Ų34.828%0.27617%0.172SC..Hα-helixtrans-59.3-49.7174.2-72.9179.462.700111.2W153 T154 F379 G380 S386W153-M383 HydrophobicContact CE3-CE 4.4Å; T154-M383 HydrophobicContact CG2-CE 4.44Å; T154-M383 HydrophobicContact CG2-SD 4.1Å; F379-M383 HydrophobicContact CD1-CG 4.39Å; F379-M383 HydrophobicContact CD1-SD 3.92Å; F379-M383 HydrophobicContact CE1-CG 3.83Å; F379-M383 HydrophobicContact CE1-SD 3.17Å; F379-M383 WeakPolarHBondContact CE1-SD 3.27Å; F379-M383 HydrophobicContact CE2-CG 3.98Å; F379-M383 HydrophobicContact CE2-SD 4.38Å; F379-M383 HydrophobicContact CZ-CG 3.59Å; F379-M383 HydrophobicContact CZ-SD 3.45Å; F379-M383 WeakPolarHBondContact CZ-SD 3.18Å; F379-M383 WeakPolarHBondContact O-CG 3.17Å; F379-M383 PolarHBondContact O-N 2.86Å; G380-M383 PolarHBondContact O-N 3.48Å; M383-S386 WeakPolarHBondContact O-CB 3.5Å; M383-S386 PolarHBondContact O-N 2.81Å
384L92.7Very high94Very high4 Ų434.5 Ų34.52%0.02117%0.171CC..Hα-helixtrans-61.7-51.8-178.9178.857.7000111.5L111 Y140 L147 G380 G381 S386 T387 F390 F414 M417L111-L384 HydrophobicContact CD1-CB 4.41Å; L111-L384 HydrophobicContact CD1-CD2 4.03Å; L111-L384 HydrophobicContact CD1-CG 4.36Å; Y140-L384 HydrophobicContact CD1-CD2 4.26Å; Y140-L384 HydrophobicContact CE1-CD2 3.69Å; L147-L384 HydrophobicContact CD2-CB 4.49Å; L147-L384 HydrophobicContact CD2-CD2 3.95Å; G380-L384 WeakPolarHBondContact O-CB 3.17Å; G380-L384 PolarHBondContact O-N 3.41Å; G381-L384 PolarHBondContact O-N 2.99Å; L384-S386 PolarHBondContact O-N 3.33Å; L384-S386 VanDerWaalsContact O-N 3.12Å; L384-T387 WeakPolarHBondContact O-CB 3.13Å; L384-T387 WeakPolarHBondContact O-CG2 3.39Å; L384-T387 PolarHBondContact O-N 2.68Å; L384-T387 PolarHBondContact O-OG1 2.91Å; L384-F390 HydrophobicContact CG-CD2 4.47Å; L384-F390 WeakPolarHBondContact O-CB 3.45Å; L384-F414 HydrophobicContact CD1-CD2 3.69Å; L384-F414 HydrophobicContact CD1-CE1 4.46Å; L384-F414 HydrophobicContact CD1-CE2 3.54Å; L384-F414 HydrophobicContact CD1-CG 4.16Å; L384-F414 HydrophobicContact CD1-CZ 3.98Å; L384-F414 HydrophobicContact CD2-CD2 4.32Å; L384-F414 HydrophobicContact CD2-CE2 4.44Å; L384-F414 HydrophobicContact CG-CE2 4.34Å; L384-M417 HydrophobicContact CD1-CE 3.76Å; L384-M417 HydrophobicContact CD1-SD 3.74Å
385A95.4Very high94.1Very high0 Ų029.7 Ų29.70%015%0.154CC..Hα-helixtrans-70.7-7.1-176.400000113.9A7 V9 A22 L111 G381 F390A7-A385 HydrophobicContact CB-CB 3.9Å; V9-A385 HydrophobicContact CG2-CB 4.11Å; A22-A385 HydrophobicContact CB-CB 3.7Å; L111-A385 HydrophobicContact CB-CB 4.42Å; L111-A385 HydrophobicContact CD1-CB 4.12Å; G381-A385 VanDerWaalsContact O-CB 3.23Å; G381-A385 WeakPolarHBondContact O-CB 3.28Å; G381-A385 PolarHBondContact O-N 3.14Å; A385-F390 HydrophobicContact CB-CD1 4.13Å; A385-F390 HydrophobicContact CB-CD2 4.03Å; A385-F390 HydrophobicContact CB-CE1 4.07Å; A385-F390 HydrophobicContact CB-CE2 3.95Å; A385-F390 HydrophobicContact CB-CG 4.12Å; A385-F390 HydrophobicContact CB-CZ 3.98Å
386S94Very high94.1Very high62 Ų6229.6 Ų29.643%0.43416%0.158SC..THydrogen-bonded Turntrans-84.2-9.2170.3-58.80000113.5G23 S382 M383 L384G23-S386 WeakPolarHBondContact CA-OG 3.46Å; G23-S386 PolarHBondContact N-OG 3.3Å; S382-S386 WeakPolarHBondContact O-CB 3.34Å; S382-S386 PolarHBondContact O-N 3.49Å; S382-S386 VanDerWaalsContact O-N 3.15Å; S382-S386 PolarHBondContact O-OG 2.63Å; M383-S386 WeakPolarHBondContact O-CB 3.5Å; M383-S386 PolarHBondContact O-N 2.81Å; L384-S386 PolarHBondContact O-N 3.33Å; L384-S386 VanDerWaalsContact O-N 3.12Å
387T92.1Very high94.2Very high34 Ų3432.1 Ų32.121%0.20917%0.168CC..SBendtrans-87.6146.5-177.9680000111.5L384 E389 F390L384-T387 WeakPolarHBondContact O-CB 3.13Å; L384-T387 WeakPolarHBondContact O-CG2 3.39Å; L384-T387 PolarHBondContact O-N 2.68Å; L384-T387 PolarHBondContact O-OG1 2.91Å; T387-E389 WeakPolarHBondContact CB-OE2 3.27Å; T387-E389 PolarHBondContact O-N 2.86Å; T387-F390 WeakPolarHBondContact O-CB 3.45Å; T387-F390 PolarHBondContact O-N 3.4Å; T387-F390 PolarHBondContact OG1-N 3.38Å
388P91.1Very high94.2Very high57 Ų5738.8 Ų38.837%0.3720%0.197SC..THydrogen-bonded Turntrans-57.9-33.4172.7-27.836.8000114M1 F390 Y391M1-P388 HydrophobicContact CE-CB 3.91Å; M1-P388 HydrophobicContact CE-CG 4.32Å; P388-F390 VanDerWaalsContact C-N 3.28Å; P388-F390 PolarHBondContact O-N 3.17Å; P388-Y391 PolarHBondContact O-N 2.81Å
389E90.3Very high94.1Very high83 Ų8341.3 Ų41.339%0.38821%0.21SC..THydrogen-bonded Turntrans-67.9-30-176.7-62.968.3-150.200111.6T387 Y391 Q392 V393 F414T387-E389 WeakPolarHBondContact CB-OE2 3.27Å; T387-E389 PolarHBondContact O-N 2.86Å; E389-Y391 PolarHBondContact O-N 3.34Å; E389-Q392 WeakPolarHBondContact O-CB 3.46Å; E389-Q392 PolarHBondContact O-N 3Å; E389-V393 PolarHBondContact O-N 3.41Å; E389-F414 VanDerWaalsContact C-CZ 3.5Å; E389-F414 HydrophobicContact CB-CE1 3.37Å; E389-F414 HydrophobicContact CB-CZ 3.61Å; E389-F414 HydrophobicContact CG-CE1 4.3Å
390F93.3Very high94.1Very high0 Ų041.2 Ų41.20%021%0.21CC..Hα-helixtrans-50.4-46.8178.1162.6-103.8000111.1A7 Y109 L111 Y140 L384 A385 T387 P388 Q392 V393 C394A7-F390 HydrophobicContact CB-CD1 4.4Å; A7-F390 HydrophobicContact CB-CE1 3.58Å; A7-F390 HydrophobicContact CB-CZ 4.06Å; Y109-F390 HydrophobicContact CD1-CE1 4.42Å; L111-F390 HydrophobicContact CB-CE2 3.91Å; L111-F390 HydrophobicContact CB-CZ 4.12Å; L111-F390 HydrophobicContact CD1-CD2 4.34Å; L111-F390 HydrophobicContact CD1-CE2 3.87Å; L111-F390 HydrophobicContact CG-CE2 4.27Å; Y140-F390 HydrophobicContact CD1-CE2 4.28Å; Y140-F390 HydrophobicContact CG-CE2 4.23Å; L384-F390 HydrophobicContact CG-CD2 4.47Å; L384-F390 WeakPolarHBondContact O-CB 3.45Å; A385-F390 HydrophobicContact CB-CD1 4.13Å; A385-F390 HydrophobicContact CB-CD2 4.03Å; A385-F390 HydrophobicContact CB-CE1 4.07Å; A385-F390 HydrophobicContact CB-CE2 3.95Å; A385-F390 HydrophobicContact CB-CG 4.12Å; A385-F390 HydrophobicContact CB-CZ 3.98Å; T387-F390 WeakPolarHBondContact O-CB 3.45Å; T387-F390 PolarHBondContact O-N 3.4Å; T387-F390 PolarHBondContact OG1-N 3.38Å; P388-F390 VanDerWaalsContact C-N 3.28Å; P388-F390 PolarHBondContact O-N 3.17Å; F390-Q392 PolarHBondContact O-N 3.15Å; F390-V393 VanDerWaalsContact O-CG2 3.3Å; F390-V393 WeakPolarHBondContact O-CG2 3.48Å; F390-V393 PolarHBondContact O-N 2.9Å; F390-C394 VanDerWaalsContact CE2-SG 3.57Å; F390-C394 WeakPolarHBondContact CZ-SG 3.4Å; F390-C394 PolarHBondContact O-N 2.89Å; F390-C394 VanDerWaalsContact O-N 3.12Å; F390-C394 PolarHBondContact O-SG 3.47Å
391Y92.3Very high94.2Very high44 Ų4447.3 Ų47.317%0.17324%0.238CC..Hα-helixtrans-68-17.1-179-59-80.2000114.3R4 Y109 P388 E389R4-Y391 HydrophobicContact CG-CE1 4.24Å; R4-Y391 VanDerWaalsContact NH1-CD1 3.28Å; Y109-Y391 AromaticContact CD1-CD1 3.63Å; Y109-Y391 HydrophobicContact CD1-CD1 3.63Å; Y109-Y391 HydrophobicContact CD1-CE1 4.27Å; Y109-Y391 HydrophobicContact CD2-CD1 4.2Å; Y109-Y391 HydrophobicContact CD2-CE1 4.33Å; Y109-Y391 AromaticContact CE1-CD1 3.98Å; Y109-Y391 HydrophobicContact CE1-CD1 3.98Å; Y109-Y391 AromaticContact CG-CD1 3.77Å; Y109-Y391 HydrophobicContact CG-CD1 3.77Å; Y109-Y391 AromaticContact CG-CE1 3.96Å; Y109-Y391 HydrophobicContact CG-CE1 3.96Å; P388-Y391 PolarHBondContact O-N 2.81Å; E389-Y391 PolarHBondContact O-N 3.34Å
392Q90.5Very high94.3Very high158 Ų15854.3 Ų54.374%0.73827%0.271SS*.Hα-helixtrans-85.2-24.5177.8-59.4178.99.300112E389 F390E389-Q392 WeakPolarHBondContact O-CB 3.46Å; E389-Q392 PolarHBondContact O-N 3Å; F390-Q392 PolarHBondContact O-N 3.15Å
393V90.8Very high94.2Very high35 Ų3558.6 Ų58.621%0.21229%0.293CS..Hα-helixtrans-101.5-11.2-179.2-54.20000113.2Y140 E389 F390 P412 F414Y140-V393 HydrophobicContact CD2-CG2 4.01Å; Y140-V393 HydrophobicContact CE2-CG2 3.92Å; E389-V393 PolarHBondContact O-N 3.41Å; F390-V393 VanDerWaalsContact O-CG2 3.3Å; F390-V393 WeakPolarHBondContact O-CG2 3.48Å; F390-V393 PolarHBondContact O-N 2.9Å; V393-P412 HydrophobicContact CB-CB 4.14Å; V393-P412 HydrophobicContact CB-CG 4Å; V393-P412 WeakPolarHBondContact O-CG 3.43Å; V393-F414 HydrophobicContact CB-CE2 4.19Å; V393-F414 HydrophobicContact CG1-CE2 4.03Å; V393-F414 HydrophobicContact CG1-CZ 3.98Å; V393-F414 HydrophobicContact CG2-CD2 3.97Å; V393-F414 HydrophobicContact CG2-CE2 3.15Å; V393-F414 HydrophobicContact CG2-CZ 3.7Å
394C94.4Very high94.3Very high6 Ų656.9 Ų56.94%0.04129%0.289CS..SBendtrans-60.3138.6170.1-70.70000110Y109 L139 F390 T396Y109-C394 HydrophobicContact CD1-CB 3.78Å; Y109-C394 HydrophobicContact CE1-CB 3.83Å; L139-C394 WeakPolarHBondContact O-CA 3.24Å; F390-C394 VanDerWaalsContact CE2-SG 3.57Å; F390-C394 WeakPolarHBondContact CZ-SG 3.4Å; F390-C394 PolarHBondContact O-N 2.89Å; F390-C394 VanDerWaalsContact O-N 3.12Å; F390-C394 PolarHBondContact O-SG 3.47Å; C394-T396 PolarHBondContact O-N 3.42Å
395H95.2Very high94.4Very high26 Ų2658 Ų5812%0.1230%0.297CS..EExtended strand (participates in β ladder)trans-66.8126.8163.4-62.8-51.9000107.4F131 G138 L139 I407 H410F131-H395 HydrophobicContact CZ-CB 4.42Å; F131-H395 WeakPolarHBondContact CZ-O 3.33Å; G138-H395 CarbonylContact C-O 3.57Å; G138-H395 WeakPolarHBondContact CA-O 3.38Å; L139-H395 PolarHBondContact N-O 3.03Å; L139-H395 PolarHBondContact O-N 3.06Å; H395-I407 HydrophobicContact CB-CD1 4.41Å; H395-I407 HydrophobicContact CB-CG2 4.46Å; H395-I407 PolarHBondContact CE1-O 3.09Å; H395-I407 PolarHBondContact NE2-O 3.36Å; H395-H410 PolarHBondContact NE2-O 3.01Å
396T96.3Very high94.4Very high34 Ų3460.6 Ų60.621%0.20932%0.315CS..EExtended strand (participates in β ladder)trans-89.1157.2178.773.10000110.4C394 K398 D399 Y400C394-T396 PolarHBondContact O-N 3.42Å; T396-K398 PolarHBondContact O-N 3.17Å; T396-D399 WeakPolarHBondContact CB-OD2 3.42Å; T396-D399 PolarHBondContact N-OD2 2.55Å; T396-D399 PolarHBondContact O-N 2.81Å; T396-D399 PolarHBondContact OG1-N 3.27Å; T396-D399 PolarHBondContact OG1-OD2 3.06Å; T396-Y400 PolarHBondContact O-N 3.18Å
397K96.9Very high94.4Very high54 Ų5458.8 Ų58.824%0.23530%0.3CS..Hα-helixtrans-54.1-38.4174-168.7-174.8-178.8-1480112.3F131 N135 P137 D399 Y400 E401F131-K397 HydrophobicContact CD1-CB 3.99Å; F131-K397 HydrophobicContact CD1-CG 4.04Å; F131-K397 HydrophobicContact CE1-CB 4.04Å; N135-K397 WeakPolarHBondContact OD1-CE 3.39Å; N135-K397 PolarHBondContact OD1-NZ 3.06Å; P137-K397 PolarHBondContact O-N 3.37Å; K397-D399 PolarHBondContact O-N 2.79Å; K397-Y400 WeakPolarHBondContact O-CB 3.32Å; K397-Y400 PolarHBondContact O-N 3.12Å; K397-E401 WeakPolarHBondContact CE-OE1 3.37Å; K397-E401 IonicContact NZ-OE1 3.09Å; K397-E401 PolarHBondContact NZ-OE1 2.66Å; K397-E401 VanDerWaalsContact NZ-OE1 3.15Å; K397-E401 WeakPolarHBondContact O-CG 3.37Å; K397-E401 PolarHBondContact O-N 2.98Å
398K96.8Very high94.4Very high144 Ų14457.4 Ų57.463%0.62629%0.292SS*.Hα-helixtrans-61.1-45.4176.8-175.5-169.1171.4-1620111.6T396 Y400 E401 E402T396-K398 PolarHBondContact O-N 3.17Å; K398-Y400 VanDerWaalsContact C-N 3.31Å; K398-E401 PolarHBondContact O-N 3.17Å; K398-E402 PolarHBondContact O-N 2.87Å; K398-E402 VanDerWaalsContact O-N 3.12Å
399D95Very high94.4Very high54 Ų5458.9 Ų58.929%0.28929%0.29SS..Hα-helixtrans-67.9-36.4179.8-50.6-45.2000110.9T396 K397 E402 I403 I407T396-D399 WeakPolarHBondContact CB-OD2 3.42Å; T396-D399 PolarHBondContact N-OD2 2.55Å; T396-D399 PolarHBondContact O-N 2.81Å; T396-D399 PolarHBondContact OG1-N 3.27Å; T396-D399 PolarHBondContact OG1-OD2 3.06Å; K397-D399 PolarHBondContact O-N 2.79Å; D399-E402 PolarHBondContact O-N 3.21Å; D399-I403 WeakPolarHBondContact O-CB 3.37Å; D399-I403 PolarHBondContact O-N 2.93Å; D399-I407 HydrophobicContact CB-CD1 3.36Å
400Y97Very high93.9Very high12 Ų1262.3 Ų62.35%0.04731%0.305CS..Hα-helixtrans-61.7-45.4171.8178.7-88000112.2A127 E128 F131 E132 T396 K397 K398 E402 G404 P405 I407A127-Y400 HydrophobicContact CB-CD2 4.25Å; A127-Y400 HydrophobicContact CB-CE2 3.83Å; E128-Y400 WeakPolarHBondContact CA-OH 3.27Å; E128-Y400 WeakPolarHBondContact CG-OH 3.43Å; F131-Y400 HydrophobicContact CB-CD1 3.73Å; F131-Y400 HydrophobicContact CB-CD2 4.19Å; F131-Y400 HydrophobicContact CB-CE1 3.83Å; F131-Y400 HydrophobicContact CB-CE2 4.22Å; F131-Y400 HydrophobicContact CB-CG 3.94Å; F131-Y400 HydrophobicContact CD2-CD1 4.27Å; F131-Y400 AromaticContact CD2-CD2 3.33Å; F131-Y400 HydrophobicContact CD2-CD2 3.33Å; F131-Y400 AromaticContact CD2-CE2 3.83Å; F131-Y400 HydrophobicContact CD2-CE2 3.83Å; F131-Y400 AromaticContact CD2-CG 3.57Å; F131-Y400 HydrophobicContact CD2-CG 3.57Å; F131-Y400 AromaticContact CE2-CD2 3.9Å; F131-Y400 HydrophobicContact CE2-CD2 3.9Å; F131-Y400 HydrophobicContact CE2-CG 4.15Å; F131-Y400 HydrophobicContact CG-CD1 4.07Å; F131-Y400 AromaticContact CG-CD2 3.97Å; F131-Y400 HydrophobicContact CG-CD2 3.97Å; F131-Y400 HydrophobicContact CG-CE2 4.41Å; F131-Y400 AromaticContact CG-CG 3.77Å; F131-Y400 HydrophobicContact CG-CG 3.77Å; E132-Y400 VanDerWaalsContact CD-OH 3.3Å; E132-Y400 HydrophobicContact CG-CE1 3.86Å; E132-Y400 WeakPolarHBondContact CG-OH 3.42Å; E132-Y400 PolarHBondContact OE1-OH 3.2Å; T396-Y400 PolarHBondContact O-N 3.18Å; K397-Y400 WeakPolarHBondContact O-CB 3.32Å; K397-Y400 PolarHBondContact O-N 3.12Å; K398-Y400 VanDerWaalsContact C-N 3.31Å; Y400-E402 PolarHBondContact O-N 2.99Å; Y400-G404 WeakPolarHBondContact O-CA 3.21Å; Y400-G404 PolarHBondContact O-N 3.23Å; Y400-P405 HydrophobicContact CE2-CB 4.13Å; Y400-P405 HydrophobicContact CE2-CG 4.06Å; Y400-P405 WeakPolarHBondContact OH-CG 3.26Å; Y400-I407 HydrophobicContact CD2-CG2 4.45Å
401E97.7Very high93Very high128 Ų12864 Ų6460%0.59832%0.315SS*.Hα-helixtrans-64.4-28.4177.5-73.4171.7177.300112.5K397 K398K397-E401 WeakPolarHBondContact CE-OE1 3.37Å; K397-E401 IonicContact NZ-OE1 3.09Å; K397-E401 PolarHBondContact NZ-OE1 2.66Å; K397-E401 VanDerWaalsContact NZ-OE1 3.15Å; K397-E401 WeakPolarHBondContact O-CG 3.37Å; K397-E401 PolarHBondContact O-N 2.98Å; K398-E401 PolarHBondContact O-N 3.17Å
402E97.2Very high91.7Very high147 Ų14764 Ų6469%0.68732%0.32SS*.Hα-helixtrans-82.9-41.5179.1-174.2172.9168.800113.3K398 D399 Y400K398-E402 PolarHBondContact O-N 2.87Å; K398-E402 VanDerWaalsContact O-N 3.12Å; D399-E402 PolarHBondContact O-N 3.21Å; Y400-E402 PolarHBondContact O-N 2.99Å
403I95.6Very high90.2Very high93 Ų9359.2 Ų59.248%0.47730%0.302SS..Hα-helixtrans-104.8-23.9-171.1-61.9169.2000112.2D399 I407D399-I403 WeakPolarHBondContact O-CB 3.37Å; D399-I403 PolarHBondContact O-N 2.93Å; I403-I407 HydrophobicContact CB-CB 4.23Å; I403-I407 HydrophobicContact CD1-CD1 3.84Å; I403-I407 HydrophobicContact CD1-CG1 4.12Å; I403-I407 HydrophobicContact CG2-CB 3.96Å; I403-I407 HydrophobicContact CG2-CG1 4.49Å
404G95.8Very high88.7Confident20 Ų2058.3 Ų58.321%0.20630%0.295CS..  trans80.8-171.7-171.300000113.7Y400 S406 I407Y400-G404 WeakPolarHBondContact O-CA 3.21Å; Y400-G404 PolarHBondContact O-N 3.23Å; G404-S406 PolarHBondContact O-N 2.77Å; G404-I407 WeakPolarHBondContact O-CG2 3.19Å; G404-I407 PolarHBondContact O-N 3.5Å
405P95.2Very high86.7Confident27 Ų2760.7 Ų60.718%0.17532%0.321CS..G310 helixtrans-54.8-30.2-175.2-23.829000114.8E124 E128 Y400 I407 C408E124-P405 HydrophobicContact CB-CB 3.65Å; E124-P405 HydrophobicContact CG-CB 3.8Å; E128-P405 HydrophobicContact CG-CB 4.19Å; E128-P405 HydrophobicContact CG-CG 3.74Å; Y400-P405 HydrophobicContact CE2-CB 4.13Å; Y400-P405 HydrophobicContact CE2-CG 4.06Å; Y400-P405 WeakPolarHBondContact OH-CG 3.26Å; P405-I407 PolarHBondContact O-N 2.98Å; P405-C408 PolarHBondContact O-N 2.96Å
406S95.3Very high84.1Confident54 Ų5465 Ų6538%0.37835%0.349SS..G310 helixtrans-59.1-20.6-175.972.90000114.6E124 G404 C408 R409E124-S406 WeakPolarHBondContact OE1-CA 3.46Å; E124-S406 WeakPolarHBondContact OE1-CB 3.33Å; E124-S406 PolarHBondContact OE1-N 3.32Å; G404-S406 PolarHBondContact O-N 2.77Å; S406-C408 PolarHBondContact O-N 3.16Å; S406-R409 VanDerWaalsContact O-CB 3.31Å; S406-R409 WeakPolarHBondContact O-CB 3.42Å; S406-R409 WeakPolarHBondContact O-CG 3.41Å; S406-R409 PolarHBondContact O-N 3.41Å
407I93.1Very high81.7Confident25 Ų2565.2 Ų65.213%0.12835%0.348CS..G310 helixtrans-57.5-35.1174-160.6-177.7000111.8H395 D399 Y400 I403 G404 P405 R409 H410H395-I407 HydrophobicContact CB-CD1 4.41Å; H395-I407 HydrophobicContact CB-CG2 4.46Å; H395-I407 PolarHBondContact CE1-O 3.09Å; H395-I407 PolarHBondContact NE2-O 3.36Å; D399-I407 HydrophobicContact CB-CD1 3.36Å; Y400-I407 HydrophobicContact CD2-CG2 4.45Å; I403-I407 HydrophobicContact CB-CB 4.23Å; I403-I407 HydrophobicContact CD1-CD1 3.84Å; I403-I407 HydrophobicContact CD1-CG1 4.12Å; I403-I407 HydrophobicContact CG2-CB 3.96Å; I403-I407 HydrophobicContact CG2-CG1 4.49Å; G404-I407 WeakPolarHBondContact O-CG2 3.19Å; G404-I407 PolarHBondContact O-N 3.5Å; P405-I407 PolarHBondContact O-N 2.98Å; I407-R409 PolarHBondContact O-N 3.12Å; I407-H410 PolarHBondContact O-N 2.76Å
408C92.8Very high79Confident4 Ų469 Ų693%0.02738%0.381CS..G310 helixtrans-77.2-6.9-179.5-700000113.2R123 A127 I141 P405 S406 H410R123-C408 HydrophobicContact CB-CB 4.45Å; R123-C408 VanDerWaalsContact CD-O 3.22Å; R123-C408 WeakPolarHBondContact CD-O 3.25Å; A127-C408 HydrophobicContact CB-CB 3.87Å; A127-C408 WeakPolarHBondContact CB-SG 3.44Å; I141-C408 HydrophobicContact CD1-CB 4.25Å; P405-C408 PolarHBondContact O-N 2.96Å; S406-C408 PolarHBondContact O-N 3.16Å; C408-H410 PolarHBondContact O-N 3.07Å
409R90.9Very high78.1Confident88 Ų8865.3 Ų65.333%0.33237%0.369SS..G310 helixtrans-65.2-29.3172.2-64.4-172.6-177.4-128.1-6.5111.8P120 E121 R123 E124 S406 I407P120-R409 HydrophobicContact CB-CB 4.24Å; P120-R409 HydrophobicContact CB-CG 3.74Å; E121-R409 IonicContact OE1-CZ 3.05Å; E121-R409 IonicContact OE1-NH1 3.15Å; E121-R409 PolarHBondContact OE1-NH1 3.37Å; E121-R409 IonicContact OE1-NH2 3.51Å; E121-R409 PolarHBondContact OE1-NH2 3.41Å; R123-R409 PolarHBondContact NH1-O 2.96Å; E124-R409 VanDerWaalsContact CD-NE 3.28Å; E124-R409 HydrophobicContact CG-CG 4.11Å; E124-R409 IonicContact OE1-CZ 2.76Å; E124-R409 VanDerWaalsContact OE1-CZ 3.23Å; E124-R409 IonicContact OE1-NE 3.01Å; E124-R409 PolarHBondContact OE1-NE 3.17Å; E124-R409 IonicContact OE1-NH2 3.23Å; E124-R409 PolarHBondContact OE1-NH2 2.94Å; E124-R409 IonicContact OE2-CZ 2.67Å; E124-R409 IonicContact OE2-NE 2.74Å; E124-R409 IonicContact OE2-NH2 3.61Å; E124-R409 PolarHBondContact OE2-NH2 2.77Å; S406-R409 VanDerWaalsContact O-CB 3.31Å; S406-R409 WeakPolarHBondContact O-CB 3.42Å; S406-R409 WeakPolarHBondContact O-CG 3.41Å; S406-R409 PolarHBondContact O-N 3.41Å; I407-R409 PolarHBondContact O-N 3.12Å
410H80.2Confident77.2Confident155 Ų15565.8 Ų65.872%0.71837%0.373SS*.SBendtrans-95.2133.3175.9-87.677.6000111.3H395 I407 C408H395-H410 PolarHBondContact NE2-O 3.01Å; I407-H410 PolarHBondContact O-N 2.76Å; C408-H410 PolarHBondContact O-N 3.07Å
411N73.4Confident76.1Confident37 Ų3768.8 Ų68.820%0.19839%0.391CS..  trans-105.1110.8175.8-156.7-22.3000108.9Y140 I141 V413Y140-N411 WeakPolarHBondContact CE2-OD1 3.28Å; Y140-N411 PolarHBondContact OH-OD1 2.77Å; I141-N411 PolarHBondContact O-ND2 3.14Å; I141-N411 PolarHBondContact O-OD1 2.87Å; N411-V413 PolarHBondContact O-N 3.4Å; N411-V413 VanDerWaalsContact O-N 3.09Å
412P65.7Low74.9Confident44 Ų4465.4 Ų65.429%0.28638%0.379SS..  trans-64.4112.9170.821-23.6000108.7Y140 V393Y140-P412 HydrophobicContact CE2-CG 4.07Å; Y140-P412 PolarHBondContact OH-O 3.08Å; V393-P412 HydrophobicContact CB-CB 4.14Å; V393-P412 HydrophobicContact CB-CG 4Å; V393-P412 WeakPolarHBondContact O-CG 3.43Å
413V58.7Low73.5Confident57 Ų5760.3 Ų60.335%0.34536%0.359SS..  trans-79.7132179.3-179.40000109.4Y184 N411 G415Y184-V413 HydrophobicContact CD1-CG2 4.21Å; Y184-V413 HydrophobicContact CE1-CB 4.18Å; Y184-V413 HydrophobicContact CE1-CG1 4.34Å; Y184-V413 HydrophobicContact CE1-CG2 3.85Å; N411-V413 PolarHBondContact O-N 3.4Å; N411-V413 VanDerWaalsContact O-N 3.09Å; V413-G415 PolarHBondContact O-N 3.33Å
414F59.5Low72Confident15 Ų1558.1 Ų58.17%0.06635%0.352CS..  trans-72.989.7171.5-99.4-81.4000111.5L384 E389 V393 V416 M417L384-F414 HydrophobicContact CD1-CD2 3.69Å; L384-F414 HydrophobicContact CD1-CE1 4.46Å; L384-F414 HydrophobicContact CD1-CE2 3.54Å; L384-F414 HydrophobicContact CD1-CG 4.16Å; L384-F414 HydrophobicContact CD1-CZ 3.98Å; L384-F414 HydrophobicContact CD2-CD2 4.32Å; L384-F414 HydrophobicContact CD2-CE2 4.44Å; L384-F414 HydrophobicContact CG-CE2 4.34Å; E389-F414 VanDerWaalsContact C-CZ 3.5Å; E389-F414 HydrophobicContact CB-CE1 3.37Å; E389-F414 HydrophobicContact CB-CZ 3.61Å; E389-F414 HydrophobicContact CG-CE1 4.3Å; V393-F414 HydrophobicContact CB-CE2 4.19Å; V393-F414 HydrophobicContact CG1-CE2 4.03Å; V393-F414 HydrophobicContact CG1-CZ 3.98Å; V393-F414 HydrophobicContact CG2-CD2 3.97Å; V393-F414 HydrophobicContact CG2-CE2 3.15Å; V393-F414 HydrophobicContact CG2-CZ 3.7Å; F414-V416 PolarHBondContact O-N 3.26Å; F414-M417 HydrophobicContact CB-CE 4.03Å; F414-M417 HydrophobicContact CD1-CG 4.28Å; F414-M417 HydrophobicContact CG-CE 4.45Å
415G51.7Low70.3Confident57 Ų5760.8 Ų60.859%0.58836%0.362SS*.THydrogen-bonded Turntrans-74.35.8170.900000114.9V413V413-G415 PolarHBondContact O-N 3.33Å
416V42.1Very low68.4Low117 Ų11763.4 Ų63.471%0.70938%0.376SS*.THydrogen-bonded Turntrans-123.76.7-162.8-1420000114.7F414 S418F414-V416 PolarHBondContact O-N 3.26Å; V416-S418 VanDerWaalsContact C-N 3.34Å
417M44.3Very low66.1Low38 Ų3864.2 Ų64.219%0.18738%0.376CS..  trans-86.81.4176.7-73.5-162.9-77.200114.6W153 L384 F414W153-M417 HydrophobicContact CH2-CB 3.49Å; W153-M417 VanDerWaalsContact CH2-CB 3.49Å; W153-M417 HydrophobicContact CH2-CE 4.38Å; W153-M417 HydrophobicContact CH2-CG 4.48Å; W153-M417 HydrophobicContact CH2-SD 4.23Å; W153-M417 HydrophobicContact CZ3-CB 3.84Å; W153-M417 HydrophobicContact CZ3-SD 4.02Å; L384-M417 HydrophobicContact CD1-CE 3.76Å; L384-M417 HydrophobicContact CD1-SD 3.74Å; F414-M417 HydrophobicContact CB-CE 4.03Å; F414-M417 HydrophobicContact CD1-CG 4.28Å; F414-M417 HydrophobicContact CG-CE 4.45Å
418S41.4Very low63.7Low133 Ų13367.7 Ų67.793%0.9340%0.399SS*.  trans-830166.661.40000110.4V416V416-S418 VanDerWaalsContact C-N 3.34Å

Retrieved 418 of 418 residues in 242.4 ms (Link to these results)

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