C1M032_SCHMA Loading...

PSII_BNR domain-containing protein

AlphaFold DB , UniProt , Accession C1M032, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 107 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
1M44.1Very low71.9Confident117 Ų11753.2 Ų53.258%0.57630%0.303SS*.  0121.80-62.5-106165.400106.3V5 I8 W64M1-V5 HydrophobicContact SD-CB 4.49Å; M1-V5 HydrophobicContact SD-CG1 4.26Å; M1-I8 HydrophobicContact CE-CD1 3.8Å; M1-I8 HydrophobicContact CE-CG1 3.4Å; M1-I8 HydrophobicContact SD-CD1 4.05Å; M1-I8 HydrophobicContact SD-CG1 4.19Å; M1-W64 HydrophobicContact CE-CZ2 4.36Å
2G49Very low73.1Confident23 Ų2348.8 Ų48.824%0.23728%0.278CS..  trans-54.7157171.500000110.6S4 V5G2-S4 PolarHBondContact O-N 3.38Å; G2-V5 PolarHBondContact O-N 3.13Å
3P55.2Low73.6Confident138 Ų13849.5 Ų49.590%0.89628%0.281SS*.THydrogen-bonded Turntrans-63.26.9-163.523.1-33.8000116.4
4S69.6Low74.4Confident69 Ų6952.6 Ų52.648%0.48330%0.303SS..THydrogen-bonded Turntrans-134.814.7-173.3-49.10000114.1G2 G22 S23G2-S4 PolarHBondContact O-N 3.38Å; S4-G22 CarbonylContact O-C 3.37Å; S4-G22 WeakPolarHBondContact O-CA 3.44Å; S4-S23 WeakPolarHBondContact CA-OG 3.28Å; S4-S23 PolarHBondContact O-N 3.33Å
5V76.7Confident75.4Confident15 Ų1554.1 Ų54.19%0.09131%0.309CS..EExtended strand (participates in β ladder)trans-116.5117.2177.2-173.70000110M1 G2 I8 V29 W38M1-V5 HydrophobicContact SD-CB 4.49Å; M1-V5 HydrophobicContact SD-CG1 4.26Å; G2-V5 PolarHBondContact O-N 3.13Å; V5-I8 HydrophobicContact CG1-CD1 4.38Å; V5-V29 HydrophobicContact CG1-CG2 4.19Å; V5-V29 HydrophobicContact CG2-CG2 3.83Å; V5-W38 HydrophobicContact CG1-CH2 4.35Å; V5-W38 HydrophobicContact CG1-CZ2 4.38Å; V5-W38 HydrophobicContact CG1-CZ3 4.44Å; V5-W38 HydrophobicContact CG2-CB 4.19Å; V5-W38 HydrophobicContact CG2-CD2 3.48Å; V5-W38 VanDerWaalsContact CG2-CD2 3.48Å; V5-W38 HydrophobicContact CG2-CE3 3.95Å; V5-W38 HydrophobicContact CG2-CG 3.56Å; V5-W38 HydrophobicContact CG2-CZ2 4.41Å
6E77.1Confident76.2Confident96 Ų9651.8 Ų51.845%0.44930%0.302SS..EExtended strand (participates in β ladder)trans-92.3-26.3-177.8-80.7175.1-167.800112.5L21 S23 N24E6-L21 PolarHBondContact N-O 3.02Å; E6-S23 WeakPolarHBondContact OE1-CA 3.41Å; E6-S23 WeakPolarHBondContact OE1-CB 3.46Å; E6-N24 PolarHBondContact OE1-N 3.23Å
7Q78.5Confident77.1Confident41 Ų4149.6 Ų49.619%0.19229%0.288CS..EExtended strand (participates in β ladder)trans-150142.4-173.6-176.2176.40.600111.5I9 G20 L21Q7-I9 HydrophobicContact CG-CG2 4.07Å; Q7-G20 CarbonylContact O-C 3.35Å; Q7-G20 WeakPolarHBondContact O-CA 3.46Å; Q7-L21 HydrophobicContact CB-CB 4.36Å; Q7-L21 PolarHBondContact O-N 3.22Å
8I83.4Confident77.9Confident26 Ų2647.6 Ų47.613%0.13328%0.276CS..EExtended strand (participates in β ladder)trans-93.5129.7163.5-55.5-60.5000108.2M1 V5 L18 F19 W38M1-I8 HydrophobicContact CE-CD1 3.8Å; M1-I8 HydrophobicContact CE-CG1 3.4Å; M1-I8 HydrophobicContact SD-CD1 4.05Å; M1-I8 HydrophobicContact SD-CG1 4.19Å; V5-I8 HydrophobicContact CG1-CD1 4.38Å; I8-L18 HydrophobicContact CG2-CD2 4.33Å; I8-F19 WeakPolarHBondContact CA-O 3.23Å; I8-W38 HydrophobicContact CD1-CH2 3.43Å; I8-W38 VanDerWaalsContact CD1-CH2 3.43Å; I8-W38 HydrophobicContact CD1-CZ2 3.92Å; I8-W38 HydrophobicContact CD1-CZ3 4.42Å
9I84.8Confident78.5Confident33 Ų3345.1 Ų45.117%0.16926%0.261CS..EExtended strand (participates in β ladder)trans-112-30.6-176.759.3172.8000112.5Q7 F19 L21 Y46 T58 A59Q7-I9 HydrophobicContact CG-CG2 4.07Å; I9-F19 HydrophobicContact CD1-CB 4.15Å; I9-F19 HydrophobicContact CG1-CB 3.68Å; I9-F19 WeakPolarHBondContact CG1-O 3.38Å; I9-F19 PolarHBondContact N-O 3.39Å; I9-L21 HydrophobicContact CD1-CD2 4.36Å; I9-L21 HydrophobicContact CG2-CD1 4.02Å; I9-L21 HydrophobicContact CG2-CG 3.82Å; I9-Y46 HydrophobicContact CD1-CE2 4.04Å; I9-T58 WeakPolarHBondContact O-CA 3.43Å; I9-A59 PolarHBondContact O-N 3.26Å; I9-A59 VanDerWaalsContact O-N 3.15Å
10A85.4Confident78.9Confident1 Ų142.8 Ų42.81%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-156.4155.117900000112.4F19 I56 I57 T58A10-F19 HydrophobicContact CB-CB 4.18Å; A10-F19 HydrophobicContact CB-CD2 3.99Å; A10-F19 PolarHBondContact N-O 3.13Å; A10-F19 PolarHBondContact O-N 2.94Å; A10-I56 HydrophobicContact CB-CG2 4.35Å; A10-I57 CarbonylContact C-O 3.46Å; A10-I57 WeakPolarHBondContact CA-O 3.45Å; A10-T58 HydrophobicContact CB-CG2 4.28Å
11Y86.9Confident79.1Confident26 Ų2643.9 Ų43.910%0.10225%0.253CS..EExtended strand (participates in β ladder)trans-125.7146.8165.4173.8-110.7000109N13 I17 L18 I56 I57 L105 F106Y11-N13 HydrophobicContact CE1-CB 4.14Å; Y11-I17 WeakPolarHBondContact CA-O 3.39Å; Y11-L18 HydrophobicContact CD2-CD2 3.6Å; Y11-L18 HydrophobicContact CD2-CG 4.1Å; Y11-L18 HydrophobicContact CG-CD2 4.16Å; Y11-I56 WeakPolarHBondContact O-CA 3.46Å; Y11-I57 HydrophobicContact CD1-CD1 4.2Å; Y11-I57 PolarHBondContact N-O 3.43Å; Y11-I57 PolarHBondContact O-N 3Å; Y11-L105 HydrophobicContact CD1-CD2 4.06Å; Y11-L105 HydrophobicContact CG-CD2 4.33Å; Y11-F106 HydrophobicContact CD2-CE1 4.45Å; Y11-F106 AromaticContact CE2-CE1 3.86Å; Y11-F106 HydrophobicContact CE2-CE1 3.86Å
12T86.6Confident80.8Confident0 Ų038.6 Ų38.60%023%0.228CC..EExtended strand (participates in β ladder)trans-125.5129.9-178.952.20000111.5G16 I17 F19 L50 S53 E55 I56T12-G16 WeakPolarHBondContact O-CA 3.49Å; T12-G16 PolarHBondContact O-N 3.36Å; T12-I17 PolarHBondContact N-O 3.37Å; T12-I17 PolarHBondContact O-N 2.97Å; T12-I17 WeakPolarHBondContact OG1-CB 3.33Å; T12-I17 PolarHBondContact OG1-N 3.13Å; T12-I17 PolarHBondContact OG1-O 3.29Å; T12-I17 VanDerWaalsContact OG1-O 3.04Å; T12-F19 HydrophobicContact CG2-CD2 4.35Å; T12-F19 HydrophobicContact CG2-CE2 3.73Å; T12-L50 HydrophobicContact CG2-CD2 3.78Å; T12-S53 VanDerWaalsContact CB-OG 3.29Å; T12-S53 WeakPolarHBondContact CB-OG 3.41Å; T12-E55 WeakPolarHBondContact CA-O 2.87Å; T12-I56 HydrophobicContact CG2-CG1 4.22Å; T12-I56 HydrophobicContact CG2-CG2 4.47Å
13N79.7Confident82Confident59 Ų5939.2 Ų39.232%0.31623%0.229SC..EExtended strand (participates in β ladder)trans-115.7138.3177.1178.422.3000108.6Y11 S53 T54 E55Y11-N13 HydrophobicContact CE1-CB 4.14Å; N13-S53 PolarHBondContact N-OG 3.33Å; N13-S53 PolarHBondContact O-OG 3.37Å; N13-T54 PolarHBondContact O-N 2.9Å; N13-T54 PolarHBondContact O-OG1 3.12Å; N13-T54 VanDerWaalsContact O-OG1 3.13Å; N13-E55 HydrophobicContact CB-CB 3.97Å; N13-E55 PolarHBondContact N-O 2.84Å; N13-E55 PolarHBondContact ND2-OE2 3.3Å; N13-E55 PolarHBondContact O-N 2.92Å; N13-E55 VanDerWaalsContact O-N 3.17Å
14P84.7Confident82.6Confident92 Ų9240.1 Ų40.160%0.59723%0.226SC*.THydrogen-bonded Turncis-87.212.4-1.738.7-38.7000115.3G16 T54P14-G16 PolarHBondContact O-N 3.43Å; P14-T54 VanDerWaalsContact CD-OG1 3.28Å; P14-T54 WeakPolarHBondContact CD-OG1 3.46Å
15L88.4Confident82.3Confident75 Ų7540.5 Ų40.539%0.39324%0.241SC..THydrogen-bonded Turntrans-67-20.9-177-59.9-179.4000113.1I17 T49 T52L15-I17 HydrophobicContact CB-CD1 3.98Å; L15-I17 HydrophobicContact CB-CG1 3.98Å; L15-I17 WeakPolarHBondContact O-CG1 3.5Å; L15-I17 PolarHBondContact O-N 3.18Å; L15-T49 HydrophobicContact CD1-CG2 3.66Å; L15-T52 WeakPolarHBondContact CD1-OG1 3.34Å
16G89.4Confident81.8Confident18 Ų1841.2 Ų41.219%0.18625%0.251CS..THydrogen-bonded Turntrans66.327.6179.900000112.7T12 P14T12-G16 WeakPolarHBondContact O-CA 3.49Å; T12-G16 PolarHBondContact O-N 3.36Å; P14-G16 PolarHBondContact O-N 3.43Å
17I91.6Very high82Confident15 Ų1539 Ų398%0.07726%0.255CS..EExtended strand (participates in β ladder)trans-101.3120.2-175.2-56175.4000109.3Y11 T12 L15 F19 M30 S31 K32 T49Y11-I17 WeakPolarHBondContact CA-O 3.39Å; T12-I17 PolarHBondContact N-O 3.37Å; T12-I17 PolarHBondContact O-N 2.97Å; T12-I17 WeakPolarHBondContact OG1-CB 3.33Å; T12-I17 PolarHBondContact OG1-N 3.13Å; T12-I17 PolarHBondContact OG1-O 3.29Å; T12-I17 VanDerWaalsContact OG1-O 3.04Å; L15-I17 HydrophobicContact CB-CD1 3.98Å; L15-I17 HydrophobicContact CB-CG1 3.98Å; L15-I17 WeakPolarHBondContact O-CG1 3.5Å; L15-I17 PolarHBondContact O-N 3.18Å; I17-F19 HydrophobicContact CB-CE2 4.47Å; I17-F19 HydrophobicContact CG2-CD2 4.46Å; I17-F19 HydrophobicContact CG2-CE1 4.03Å; I17-F19 HydrophobicContact CG2-CE2 3.97Å; I17-F19 HydrophobicContact CG2-CZ 3.75Å; I17-M30 HydrophobicContact CG2-CB 3.82Å; I17-M30 HydrophobicContact CG2-CG 4.31Å; I17-M30 HydrophobicContact CG2-SD 3.99Å; I17-S31 WeakPolarHBondContact CA-O 3.46Å; I17-K32 HydrophobicContact CG1-CG 4.21Å; I17-T49 HydrophobicContact CB-CG2 4.5Å; I17-T49 HydrophobicContact CD1-CG2 3.67Å
18L90.1Very high82.4Confident12 Ų1238.3 Ų38.36%0.06326%0.256CS..EExtended strand (participates in β ladder)trans-86.3138.9165.9-69.3171.1000109.6I8 Y11 M30 S31 W38 F106I8-L18 HydrophobicContact CG2-CD2 4.33Å; Y11-L18 HydrophobicContact CD2-CD2 3.6Å; Y11-L18 HydrophobicContact CD2-CG 4.1Å; Y11-L18 HydrophobicContact CG-CD2 4.16Å; L18-M30 CarbonylContact O-C 3.5Å; L18-M30 WeakPolarHBondContact O-CA 3.42Å; L18-M30 WeakPolarHBondContact O-CB 3.42Å; L18-S31 PolarHBondContact N-O 3.21Å; L18-S31 PolarHBondContact O-N 3.06Å; L18-W38 HydrophobicContact CB-CH2 3.89Å; L18-W38 HydrophobicContact CB-CZ3 4.33Å; L18-W38 HydrophobicContact CD1-CH2 4.45Å; L18-F106 HydrophobicContact CD1-CZ 4.44Å; L18-F106 HydrophobicContact CD2-CZ 4.38Å
19F89.4Confident82.7Confident0 Ų037.6 Ų37.60%025%0.253CS..EExtended strand (participates in β ladder)trans-113.8138.3170.6-67.1-73.7000109.7I8 I9 A10 T12 I17 V29 M30 I41 Y46 T49 L50I8-F19 WeakPolarHBondContact CA-O 3.23Å; I9-F19 HydrophobicContact CD1-CB 4.15Å; I9-F19 HydrophobicContact CG1-CB 3.68Å; I9-F19 WeakPolarHBondContact CG1-O 3.38Å; I9-F19 PolarHBondContact N-O 3.39Å; A10-F19 HydrophobicContact CB-CB 4.18Å; A10-F19 HydrophobicContact CB-CD2 3.99Å; A10-F19 PolarHBondContact N-O 3.13Å; A10-F19 PolarHBondContact O-N 2.94Å; T12-F19 HydrophobicContact CG2-CD2 4.35Å; T12-F19 HydrophobicContact CG2-CE2 3.73Å; I17-F19 HydrophobicContact CB-CE2 4.47Å; I17-F19 HydrophobicContact CG2-CD2 4.46Å; I17-F19 HydrophobicContact CG2-CE1 4.03Å; I17-F19 HydrophobicContact CG2-CE2 3.97Å; I17-F19 HydrophobicContact CG2-CZ 3.75Å; F19-V29 WeakPolarHBondContact CA-O 3.29Å; F19-M30 HydrophobicContact CD1-CB 3.7Å; F19-M30 HydrophobicContact CE1-CB 3.75Å; F19-M30 HydrophobicContact CE1-SD 4.2Å; F19-I41 HydrophobicContact CD1-CD1 3.7Å; F19-I41 HydrophobicContact CE1-CD1 3.51Å; F19-Y46 HydrophobicContact CB-CD2 4.45Å; F19-Y46 HydrophobicContact CB-CE2 3.94Å; F19-Y46 AromaticContact CD1-CD2 3.49Å; F19-Y46 HydrophobicContact CD1-CD2 3.49Å; F19-Y46 VanDerWaalsContact CD1-CD2 3.49Å; F19-Y46 AromaticContact CD1-CE2 3.8Å; F19-Y46 HydrophobicContact CD1-CE2 3.8Å; F19-Y46 HydrophobicContact CD2-CD2 4.29Å; F19-Y46 AromaticContact CD2-CE2 3.94Å; F19-Y46 HydrophobicContact CD2-CE2 3.94Å; F19-Y46 AromaticContact CE1-CD2 3.64Å; F19-Y46 HydrophobicContact CE1-CD2 3.64Å; F19-Y46 HydrophobicContact CE1-CE2 4.25Å; F19-Y46 HydrophobicContact CE2-CD2 4.41Å; F19-Y46 HydrophobicContact CE2-CE2 4.37Å; F19-Y46 AromaticContact CG-CD2 3.82Å; F19-Y46 HydrophobicContact CG-CD2 3.82Å; F19-Y46 AromaticContact CG-CE2 3.6Å; F19-Y46 HydrophobicContact CG-CE2 3.6Å; F19-Y46 HydrophobicContact CZ-CD2 4.1Å; F19-T49 HydrophobicContact CE2-CG2 4.01Å; F19-T49 HydrophobicContact CZ-CG2 3.57Å; F19-L50 HydrophobicContact CE2-CD2 4.1Å
20G86.8Confident82.9Confident0 Ų036.7 Ų36.70%025%0.248CC..EExtended strand (participates in β ladder)trans-138.1174174.500000113.2Q7 V29Q7-G20 CarbonylContact O-C 3.35Å; Q7-G20 WeakPolarHBondContact O-CA 3.46Å; G20-V29 PolarHBondContact N-O 2.91Å; G20-V29 WeakPolarHBondContact O-CG2 3.36Å; G20-V29 PolarHBondContact O-N 3.46Å
21L84.4Confident83.1Confident66 Ų6636.7 Ų36.735%0.34625%0.248SC..EExtended strand (participates in β ladder)trans-103.1132.7167.8-65.2175.3000109.1E6 Q7 I9E6-L21 PolarHBondContact N-O 3.02Å; Q7-L21 HydrophobicContact CB-CB 4.36Å; Q7-L21 PolarHBondContact O-N 3.22Å; I9-L21 HydrophobicContact CD1-CD2 4.36Å; I9-L21 HydrophobicContact CG2-CD1 4.02Å; I9-L21 HydrophobicContact CG2-CG 3.82Å
22G78.9Confident83.3Confident6 Ų642.4 Ų42.46%0.06227%0.273CS..EExtended strand (participates in β ladder)trans-69.7159.817600000112.1S4 G26 G27S4-G22 CarbonylContact O-C 3.37Å; S4-G22 WeakPolarHBondContact O-CA 3.44Å; G22-G26 PolarHBondContact N-O 3.22Å; G22-G26 PolarHBondContact O-N 2.76Å; G22-G27 PolarHBondContact N-O 2.97Å; G22-G27 VanDerWaalsContact N-O 3.13Å
23S74.2Confident83.3Confident35 Ų3545 Ų4525%0.24529%0.287CS..G310 helixtrans-69.5155.5179.158.40000114S4 E6 G25 G26S4-S23 WeakPolarHBondContact CA-OG 3.28Å; S4-S23 PolarHBondContact O-N 3.33Å; E6-S23 WeakPolarHBondContact OE1-CA 3.41Å; E6-S23 WeakPolarHBondContact OE1-CB 3.46Å; S23-G25 VanDerWaalsContact C-N 3.33Å; S23-G25 PolarHBondContact O-N 3.16Å; S23-G26 WeakPolarHBondContact O-CA 3.45Å; S23-G26 PolarHBondContact O-N 3.14Å
24N68Low83.5Confident157 Ų15746.9 Ų46.984%0.8430%0.297SS*.G310 helixtrans57.537.7178-60.1-49000114.4E6 G26E6-N24 PolarHBondContact OE1-N 3.23Å; N24-G26 PolarHBondContact O-N 2.97Å
25G62.4Low83.4Confident77 Ų7743.2 Ų43.279%0.79428%0.275SS*.G310 helixtrans7517.6-17300000113.1S23S23-G25 VanDerWaalsContact C-N 3.33Å; S23-G25 PolarHBondContact O-N 3.16Å
26G66.5Low83.1Confident30 Ų3047.2 Ų47.231%0.30929%0.292SS..  trans-52.1138.9169.900000110.5G22 S23 N24G22-G26 PolarHBondContact N-O 3.22Å; G22-G26 PolarHBondContact O-N 2.76Å; S23-G26 WeakPolarHBondContact O-CA 3.45Å; S23-G26 PolarHBondContact O-N 3.14Å; N24-G26 PolarHBondContact O-N 2.97Å
27G81.8Confident82.9Confident51 Ų5150.3 Ų50.353%0.52631%0.308SS..  trans-60.1179.8-179.600000113G22 V29G22-G27 PolarHBondContact N-O 2.97Å; G22-G27 VanDerWaalsContact N-O 3.13Å; G27-V29 PolarHBondContact O-N 3.39Å
28A86.6Confident82.7Confident26 Ų2652 Ų5222%0.21531%0.313CS..EExtended strand (participates in β ladder)trans-58.2135.5174.500000110.6I41A28-I41 HydrophobicContact CB-CD1 4.3Å; A28-I41 HydrophobicContact CB-CG1 3.87Å; A28-I41 VanDerWaalsContact O-CG1 3.31Å; A28-I41 WeakPolarHBondContact O-CG1 3.45Å; A28-I41 PolarHBondContact O-N 3.13Å
29V89.1Confident82.7Confident11 Ų1155.9 Ų55.97%0.06733%0.333CS..EExtended strand (participates in β ladder)trans-119.9157173.3-67.20000109.6V5 F19 G20 G27 W38 I39V5-V29 HydrophobicContact CG1-CG2 4.19Å; V5-V29 HydrophobicContact CG2-CG2 3.83Å; F19-V29 WeakPolarHBondContact CA-O 3.29Å; G20-V29 PolarHBondContact N-O 2.91Å; G20-V29 WeakPolarHBondContact O-CG2 3.36Å; G20-V29 PolarHBondContact O-N 3.46Å; G27-V29 PolarHBondContact O-N 3.39Å; V29-W38 HydrophobicContact CB-CE3 3.99Å; V29-W38 HydrophobicContact CG2-CD2 4.36Å; V29-W38 HydrophobicContact CG2-CE3 3.54Å; V29-W38 HydrophobicContact CG2-CZ3 4.02Å; V29-I39 CarbonylContact C-O 3.52Å; V29-I39 VanDerWaalsContact CA-O 3.22Å; V29-I39 WeakPolarHBondContact CA-O 3.43Å
30M90.5Very high82.7Confident13 Ų1361 Ų616%0.06437%0.369CS..EExtended strand (participates in β ladder)trans-133.9152.216974.2178-178.400112.4I17 L18 F19 W38 I39 I41 V45I17-M30 HydrophobicContact CG2-CB 3.82Å; I17-M30 HydrophobicContact CG2-CG 4.31Å; I17-M30 HydrophobicContact CG2-SD 3.99Å; L18-M30 CarbonylContact O-C 3.5Å; L18-M30 WeakPolarHBondContact O-CA 3.42Å; L18-M30 WeakPolarHBondContact O-CB 3.42Å; F19-M30 HydrophobicContact CD1-CB 3.7Å; F19-M30 HydrophobicContact CE1-CB 3.75Å; F19-M30 HydrophobicContact CE1-SD 4.2Å; M30-W38 WeakPolarHBondContact O-CA 3.5Å; M30-I39 HydrophobicContact CE-CD1 3.6Å; M30-I39 HydrophobicContact CE-CG1 4.06Å; M30-I39 HydrophobicContact CG-CD1 4.4Å; M30-I39 HydrophobicContact CG-CG1 3.83Å; M30-I39 PolarHBondContact N-O 3.34Å; M30-I39 PolarHBondContact O-N 3.48Å; M30-I41 HydrophobicContact CB-CD1 4.16Å; M30-I41 HydrophobicContact CB-CG2 4.42Å; M30-I41 HydrophobicContact CE-CG2 3.9Å; M30-I41 HydrophobicContact CG-CD1 4.43Å; M30-I41 HydrophobicContact CG-CG2 3.67Å; M30-I41 HydrophobicContact SD-CD1 4.44Å; M30-I41 HydrophobicContact SD-CG2 3.83Å; M30-V45 HydrophobicContact CE-CG1 4.2Å; M30-V45 HydrophobicContact SD-CG1 4.24Å
31S89.9Confident82.7Confident1 Ų162.2 Ų62.21%0.00738%0.375CS..EExtended strand (participates in β ladder)trans-123.1138.8171.5166.10000109.3I17 L18 D33 L34 G35 T37I17-S31 WeakPolarHBondContact CA-O 3.46Å; L18-S31 PolarHBondContact N-O 3.21Å; L18-S31 PolarHBondContact O-N 3.06Å; S31-D33 PolarHBondContact OG-N 3.48Å; S31-D33 PolarHBondContact OG-OD1 2.83Å; S31-L34 PolarHBondContact OG-N 3.21Å; S31-G35 VanDerWaalsContact OG-CA 3.3Å; S31-G35 WeakPolarHBondContact OG-CA 3.31Å; S31-G35 PolarHBondContact OG-N 2.75Å; S31-T37 WeakPolarHBondContact CA-O 3.39Å; S31-T37 WeakPolarHBondContact CB-O 3.37Å; S31-T37 PolarHBondContact OG-O 2.87Å; S31-T37 VanDerWaalsContact OG-O 3.1Å
32K90.6Very high82.7Confident147 Ų14763.7 Ų63.764%0.63938%0.383SS*.SBendtrans-107.24.2174.6-62.3-173.1172.3179.50112.7I17I17-K32 HydrophobicContact CG1-CG 4.21Å
33D85.9Confident83Confident55 Ų5566.7 Ų66.729%0.29441%0.407SS..SBendtrans-134.136.5-171.257.64.4000110.7S31 G35 E36 T37S31-D33 PolarHBondContact OG-N 3.48Å; S31-D33 PolarHBondContact OG-OD1 2.83Å; D33-G35 PolarHBondContact O-N 3.04Å; D33-G35 VanDerWaalsContact O-N 3.1Å; D33-E36 HydrophobicContact CB-CB 4.31Å; D33-E36 WeakPolarHBondContact O-CG 3.5Å; D33-E36 PolarHBondContact O-N 3.27Å; D33-E36 PolarHBondContact OD1-N 3.09Å; D33-T37 VanDerWaalsContact CG-N 3.32Å; D33-T37 PolarHBondContact OD1-N 3.37Å; D33-T37 PolarHBondContact OD1-OG1 3.17Å; D33-T37 VanDerWaalsContact OD2-CB 3.28Å; D33-T37 WeakPolarHBondContact OD2-CB 3.32Å; D33-T37 WeakPolarHBondContact OD2-CG2 3.47Å; D33-T37 PolarHBondContact OD2-N 2.83Å; D33-T37 VanDerWaalsContact OD2-N 3.1Å; D33-T37 PolarHBondContact OD2-OG1 3.2Å
34L83.8Confident83.5Confident98 Ų9871.8 Ų71.851%0.51343%0.425SS..THydrogen-bonded Turntrans58.823.8175.7-50.9-170.8000115.4S31 F106S31-L34 PolarHBondContact OG-N 3.21Å; L34-F106 HydrophobicContact CB-CZ 4.43Å; L34-F106 HydrophobicContact CD1-CD1 4.25Å; L34-F106 HydrophobicContact CD1-CE1 4.04Å; L34-F106 HydrophobicContact CD1-CZ 4.39Å; L34-F106 HydrophobicContact CD2-CD1 4.1Å; L34-F106 HydrophobicContact CD2-CE1 3.24Å; L34-F106 HydrophobicContact CD2-CZ 3.7Å; L34-F106 HydrophobicContact CG-CE1 4.16Å; L34-F106 HydrophobicContact CG-CZ 4.39Å
35G83.6Confident84.4Confident14 Ų1466.5 Ų66.514%0.14440%0.399CS..THydrogen-bonded Turntrans103.16.5172.100000114.8S31 D33 W38S31-G35 VanDerWaalsContact OG-CA 3.3Å; S31-G35 WeakPolarHBondContact OG-CA 3.31Å; S31-G35 PolarHBondContact OG-N 2.75Å; D33-G35 PolarHBondContact O-N 3.04Å; D33-G35 VanDerWaalsContact O-N 3.1Å; G35-W38 PolarHBondContact O-NE1 2.75Å
36E81.8Confident85.6Confident160 Ų16065.5 Ų65.575%0.74837%0.371SS*.SBendtrans-66.2-44.8173.1-66.1-60.6142.200111.2D33D33-E36 HydrophobicContact CB-CB 4.31Å; D33-E36 WeakPolarHBondContact O-CG 3.5Å; D33-E36 PolarHBondContact O-N 3.27Å; D33-E36 PolarHBondContact OD1-N 3.09Å
37T85.4Confident86.6Confident83 Ų8369.7 Ų69.751%0.50938%0.383SS..SBendtrans-127.1149.4174.871.50000112.5S31 D33S31-T37 WeakPolarHBondContact CA-O 3.39Å; S31-T37 WeakPolarHBondContact CB-O 3.37Å; S31-T37 PolarHBondContact OG-O 2.87Å; S31-T37 VanDerWaalsContact OG-O 3.1Å; D33-T37 VanDerWaalsContact CG-N 3.32Å; D33-T37 PolarHBondContact OD1-N 3.37Å; D33-T37 PolarHBondContact OD1-OG1 3.17Å; D33-T37 VanDerWaalsContact OD2-CB 3.28Å; D33-T37 WeakPolarHBondContact OD2-CB 3.32Å; D33-T37 WeakPolarHBondContact OD2-CG2 3.47Å; D33-T37 PolarHBondContact OD2-N 2.83Å; D33-T37 VanDerWaalsContact OD2-N 3.1Å; D33-T37 PolarHBondContact OD2-OG1 3.2Å
38W88.1Confident87Confident51 Ų5173.2 Ų73.219%0.19338%0.383CS..  trans-131.7134.8-176.4-65.488000110.5V5 I8 L18 V29 M30 G35V5-W38 HydrophobicContact CG1-CH2 4.35Å; V5-W38 HydrophobicContact CG1-CZ2 4.38Å; V5-W38 HydrophobicContact CG1-CZ3 4.44Å; V5-W38 HydrophobicContact CG2-CB 4.19Å; V5-W38 HydrophobicContact CG2-CD2 3.48Å; V5-W38 VanDerWaalsContact CG2-CD2 3.48Å; V5-W38 HydrophobicContact CG2-CE3 3.95Å; V5-W38 HydrophobicContact CG2-CG 3.56Å; V5-W38 HydrophobicContact CG2-CZ2 4.41Å; I8-W38 HydrophobicContact CD1-CH2 3.43Å; I8-W38 VanDerWaalsContact CD1-CH2 3.43Å; I8-W38 HydrophobicContact CD1-CZ2 3.92Å; I8-W38 HydrophobicContact CD1-CZ3 4.42Å; L18-W38 HydrophobicContact CB-CH2 3.89Å; L18-W38 HydrophobicContact CB-CZ3 4.33Å; L18-W38 HydrophobicContact CD1-CH2 4.45Å; V29-W38 HydrophobicContact CB-CE3 3.99Å; V29-W38 HydrophobicContact CG2-CD2 4.36Å; V29-W38 HydrophobicContact CG2-CE3 3.54Å; V29-W38 HydrophobicContact CG2-CZ3 4.02Å; M30-W38 WeakPolarHBondContact O-CA 3.5Å; G35-W38 PolarHBondContact O-NE1 2.75Å
39I89.1Confident87.1Confident93 Ų9372.7 Ų72.748%0.47738%0.377SS..EExtended strand (participates in β ladder)trans-122.4138.617366.4176.8000110.6V29 M30 I41V29-I39 CarbonylContact C-O 3.52Å; V29-I39 VanDerWaalsContact CA-O 3.22Å; V29-I39 WeakPolarHBondContact CA-O 3.43Å; M30-I39 HydrophobicContact CE-CD1 3.6Å; M30-I39 HydrophobicContact CE-CG1 4.06Å; M30-I39 HydrophobicContact CG-CD1 4.4Å; M30-I39 HydrophobicContact CG-CG1 3.83Å; M30-I39 PolarHBondContact N-O 3.34Å; M30-I39 PolarHBondContact O-N 3.48Å; I39-I41 HydrophobicContact CG1-CG2 4.32Å
40S88.9Confident86.9Confident107 Ų10773.5 Ų73.575%0.74838%0.382SS*.EExtended strand (participates in β ladder)trans-66.9139.3172.3-56.30000110.7
41I86.8Confident86.7Confident26 Ų2679 Ų7913%0.13341%0.411CS..  trans-131.9158.4179.559.4166000111.1F19 A28 M30 I39 V45 Y46F19-I41 HydrophobicContact CD1-CD1 3.7Å; F19-I41 HydrophobicContact CE1-CD1 3.51Å; A28-I41 HydrophobicContact CB-CD1 4.3Å; A28-I41 HydrophobicContact CB-CG1 3.87Å; A28-I41 VanDerWaalsContact O-CG1 3.31Å; A28-I41 WeakPolarHBondContact O-CG1 3.45Å; A28-I41 PolarHBondContact O-N 3.13Å; M30-I41 HydrophobicContact CB-CD1 4.16Å; M30-I41 HydrophobicContact CB-CG2 4.42Å; M30-I41 HydrophobicContact CE-CG2 3.9Å; M30-I41 HydrophobicContact CG-CD1 4.43Å; M30-I41 HydrophobicContact CG-CG2 3.67Å; M30-I41 HydrophobicContact SD-CD1 4.44Å; M30-I41 HydrophobicContact SD-CG2 3.83Å; I39-I41 HydrophobicContact CG1-CG2 4.32Å; I41-V45 HydrophobicContact CB-CB 4.23Å; I41-V45 HydrophobicContact CB-CG1 4.2Å; I41-V45 HydrophobicContact CG2-CB 4.49Å; I41-V45 HydrophobicContact CG2-CG1 3.97Å; I41-Y46 HydrophobicContact CD1-CD2 4.29Å
42N85Confident86.7Confident97 Ų9783.1 Ų83.152%0.51944%0.436SS..  trans-94.5170.1170.365.132.9000111.2F44 V45 Y46N42-F44 PolarHBondContact O-N 3.28Å; N42-F44 WeakPolarHBondContact OD1-CB 3.41Å; N42-F44 PolarHBondContact OD1-N 3.06Å; N42-F44 VanDerWaalsContact OD1-N 3.14Å; N42-V45 PolarHBondContact O-N 3.08Å; N42-V45 WeakPolarHBondContact OD1-CG2 3.2Å; N42-V45 PolarHBondContact OD1-N 2.88Å; N42-Y46 PolarHBondContact O-N 3.44Å
43A85.4Confident86.4Confident68 Ų6876.8 Ų76.856%0.56241%0.411SS*.Hα-helixtrans-59.1-31.1179.900000113.5Y46 Q47A43-Y46 PolarHBondContact O-N 2.88Å; A43-Q47 WeakPolarHBondContact O-CB 3.22Å; A43-Q47 WeakPolarHBondContact O-CG 3.34Å; A43-Q47 PolarHBondContact O-N 3.11Å
44F84.5Confident86.2Confident142 Ų14278.3 Ų78.362%0.62342%0.422SS*.Hα-helixtrans-65.7-47178.8176.2-97.7000111.7N42 Y46 Q47 K48N42-F44 PolarHBondContact O-N 3.28Å; N42-F44 WeakPolarHBondContact OD1-CB 3.41Å; N42-F44 PolarHBondContact OD1-N 3.06Å; N42-F44 VanDerWaalsContact OD1-N 3.14Å; F44-Y46 VanDerWaalsContact C-N 3.32Å; F44-Y46 PolarHBondContact O-N 2.85Å; F44-Q47 PolarHBondContact O-N 2.97Å; F44-K48 HydrophobicContact CE1-CD 4.2Å; F44-K48 HydrophobicContact CZ-CD 4.4Å; F44-K48 VanDerWaalsContact O-CB 3.23Å; F44-K48 WeakPolarHBondContact O-CB 3.41Å; F44-K48 PolarHBondContact O-N 3.06Å
45V87.2Confident85.9Confident47 Ų4776.2 Ų76.229%0.28541%0.409SS..Hα-helixtrans-63.3-41.2177.1173.50000111M30 I41 N42 T49M30-V45 HydrophobicContact CE-CG1 4.2Å; M30-V45 HydrophobicContact SD-CG1 4.24Å; I41-V45 HydrophobicContact CB-CB 4.23Å; I41-V45 HydrophobicContact CB-CG1 4.2Å; I41-V45 HydrophobicContact CG2-CB 4.49Å; I41-V45 HydrophobicContact CG2-CG1 3.97Å; N42-V45 PolarHBondContact O-N 3.08Å; N42-V45 WeakPolarHBondContact OD1-CG2 3.2Å; N42-V45 PolarHBondContact OD1-N 2.88Å; V45-T49 WeakPolarHBondContact O-CB 3.11Å; V45-T49 PolarHBondContact O-N 3.38Å; V45-T49 PolarHBondContact O-OG1 3.43Å
46Y88.2Confident85.6Confident56 Ų5675.9 Ų75.922%0.2240%0.404CS..Hα-helixtrans-58.2-57.3176-178.3-102.8000111.3I9 F19 I41 N42 A43 F44 K48 T49 L50I9-Y46 HydrophobicContact CD1-CE2 4.04Å; F19-Y46 HydrophobicContact CB-CD2 4.45Å; F19-Y46 HydrophobicContact CB-CE2 3.94Å; F19-Y46 AromaticContact CD1-CD2 3.49Å; F19-Y46 HydrophobicContact CD1-CD2 3.49Å; F19-Y46 VanDerWaalsContact CD1-CD2 3.49Å; F19-Y46 AromaticContact CD1-CE2 3.8Å; F19-Y46 HydrophobicContact CD1-CE2 3.8Å; F19-Y46 HydrophobicContact CD2-CD2 4.29Å; F19-Y46 AromaticContact CD2-CE2 3.94Å; F19-Y46 HydrophobicContact CD2-CE2 3.94Å; F19-Y46 AromaticContact CE1-CD2 3.64Å; F19-Y46 HydrophobicContact CE1-CD2 3.64Å; F19-Y46 HydrophobicContact CE1-CE2 4.25Å; F19-Y46 HydrophobicContact CE2-CD2 4.41Å; F19-Y46 HydrophobicContact CE2-CE2 4.37Å; F19-Y46 AromaticContact CG-CD2 3.82Å; F19-Y46 HydrophobicContact CG-CD2 3.82Å; F19-Y46 AromaticContact CG-CE2 3.6Å; F19-Y46 HydrophobicContact CG-CE2 3.6Å; F19-Y46 HydrophobicContact CZ-CD2 4.1Å; I41-Y46 HydrophobicContact CD1-CD2 4.29Å; N42-Y46 PolarHBondContact O-N 3.44Å; A43-Y46 PolarHBondContact O-N 2.88Å; F44-Y46 VanDerWaalsContact C-N 3.32Å; F44-Y46 PolarHBondContact O-N 2.85Å; Y46-K48 PolarHBondContact O-N 2.81Å; Y46-T49 PolarHBondContact O-N 3.22Å; Y46-L50 HydrophobicContact CD1-CD1 4.05Å; Y46-L50 HydrophobicContact CE1-CD1 3.44Å; Y46-L50 VanDerWaalsContact CE1-CD1 3.44Å; Y46-L50 HydrophobicContact CE1-CG 4.23Å; Y46-L50 HydrophobicContact CE2-CD1 4.45Å; Y46-L50 WeakPolarHBondContact O-CG 3.3Å; Y46-L50 PolarHBondContact O-N 3.04Å
47Q87.5Confident85.4Confident118 Ų11868.8 Ų68.855%0.55137%0.371SS*.Hα-helixtrans-62.1-41-178.9-72.1-179.46.700112.7A43 F44 T49 L50 N51A43-Q47 WeakPolarHBondContact O-CB 3.22Å; A43-Q47 WeakPolarHBondContact O-CG 3.34Å; A43-Q47 PolarHBondContact O-N 3.11Å; F44-Q47 PolarHBondContact O-N 2.97Å; Q47-T49 VanDerWaalsContact C-N 3.31Å; Q47-T49 PolarHBondContact O-N 2.76Å; Q47-L50 PolarHBondContact O-N 2.8Å; Q47-N51 WeakPolarHBondContact O-CB 3.45Å; Q47-N51 VanDerWaalsContact O-CG 3.28Å; Q47-N51 PolarHBondContact O-N 3.15Å; Q47-N51 PolarHBondContact O-ND2 3.38Å
48K89.2Confident84.9Confident124 Ų12466.2 Ų66.254%0.53936%0.356SS..Hα-helixtrans-58.5-46.3177.1-175.9177.5179.4-179.10110.8F44 Y46 N51 T52F44-K48 HydrophobicContact CE1-CD 4.2Å; F44-K48 HydrophobicContact CZ-CD 4.4Å; F44-K48 VanDerWaalsContact O-CB 3.23Å; F44-K48 WeakPolarHBondContact O-CB 3.41Å; F44-K48 PolarHBondContact O-N 3.06Å; Y46-K48 PolarHBondContact O-N 2.81Å; K48-N51 PolarHBondContact O-N 3.12Å; K48-T52 WeakPolarHBondContact O-CG2 3.14Å; K48-T52 PolarHBondContact O-N 2.87Å; K48-T52 VanDerWaalsContact O-N 3.13Å; K48-T52 PolarHBondContact O-OG1 3.42Å; K48-T52 VanDerWaalsContact O-OG1 3.13Å
49T87.9Confident83.9Confident15 Ų1565 Ų659%0.09236%0.356CS..Hα-helixtrans-63.5-45.1179.8-53.90000111.9L15 I17 F19 V45 Y46 Q47 N51 T52 S53L15-T49 HydrophobicContact CD1-CG2 3.66Å; I17-T49 HydrophobicContact CB-CG2 4.5Å; I17-T49 HydrophobicContact CD1-CG2 3.67Å; F19-T49 HydrophobicContact CE2-CG2 4.01Å; F19-T49 HydrophobicContact CZ-CG2 3.57Å; V45-T49 WeakPolarHBondContact O-CB 3.11Å; V45-T49 PolarHBondContact O-N 3.38Å; V45-T49 PolarHBondContact O-OG1 3.43Å; Y46-T49 PolarHBondContact O-N 3.22Å; Q47-T49 VanDerWaalsContact C-N 3.31Å; Q47-T49 PolarHBondContact O-N 2.76Å; T49-N51 VanDerWaalsContact C-N 3.3Å; T49-N51 PolarHBondContact O-N 3.44Å; T49-T52 WeakPolarHBondContact CA-OG1 3.37Å; T49-T52 PolarHBondContact O-N 2.88Å; T49-T52 PolarHBondContact O-OG1 2.95Å; T49-S53 PolarHBondContact O-N 2.57Å; T49-S53 VanDerWaalsContact O-N 3.09Å
50L85.7Confident82.3Confident29 Ų2963 Ų6315%0.15235%0.351CS..Hα-helixtrans-59.8-41.5176.1-65.9-170.1000111.9T12 F19 Y46 Q47 T52 S53 I56T12-L50 HydrophobicContact CG2-CD2 3.78Å; F19-L50 HydrophobicContact CE2-CD2 4.1Å; Y46-L50 HydrophobicContact CD1-CD1 4.05Å; Y46-L50 HydrophobicContact CE1-CD1 3.44Å; Y46-L50 VanDerWaalsContact CE1-CD1 3.44Å; Y46-L50 HydrophobicContact CE1-CG 4.23Å; Y46-L50 HydrophobicContact CE2-CD1 4.45Å; Y46-L50 WeakPolarHBondContact O-CG 3.3Å; Y46-L50 PolarHBondContact O-N 3.04Å; Q47-L50 PolarHBondContact O-N 2.8Å; L50-T52 VanDerWaalsContact C-N 3.26Å; L50-T52 PolarHBondContact O-N 2.93Å; L50-S53 PolarHBondContact O-N 2.87Å; L50-I56 HydrophobicContact CB-CD1 3.88Å; L50-I56 HydrophobicContact CD2-CD1 3.9Å; L50-I56 HydrophobicContact CD2-CG1 4.07Å; L50-I56 HydrophobicContact CD2-CG2 3.85Å; L50-I56 HydrophobicContact CG-CD1 4.35Å
51N87.2Confident80.6Confident127 Ų12762.2 Ų62.268%0.67934%0.341SS*.Hα-helixtrans-68.6-25.5179.6-72.5-24.7000113.4Q47 K48 T49Q47-N51 WeakPolarHBondContact O-CB 3.45Å; Q47-N51 VanDerWaalsContact O-CG 3.28Å; Q47-N51 PolarHBondContact O-N 3.15Å; Q47-N51 PolarHBondContact O-ND2 3.38Å; K48-N51 PolarHBondContact O-N 3.12Å; T49-N51 VanDerWaalsContact C-N 3.3Å; T49-N51 PolarHBondContact O-N 3.44Å
52T88Confident78.7Confident88 Ų8864.4 Ų64.454%0.5435%0.352SS..Hα-helixtrans-89.3-14.5178.151.50000114.1L15 K48 T49 L50L15-T52 WeakPolarHBondContact CD1-OG1 3.34Å; K48-T52 WeakPolarHBondContact O-CG2 3.14Å; K48-T52 PolarHBondContact O-N 2.87Å; K48-T52 VanDerWaalsContact O-N 3.13Å; K48-T52 PolarHBondContact O-OG1 3.42Å; K48-T52 VanDerWaalsContact O-OG1 3.13Å; T49-T52 WeakPolarHBondContact CA-OG1 3.37Å; T49-T52 PolarHBondContact O-N 2.88Å; T49-T52 PolarHBondContact O-OG1 2.95Å; L50-T52 VanDerWaalsContact C-N 3.26Å; L50-T52 PolarHBondContact O-N 2.93Å
53S85.2Confident76.6Confident15 Ų1563.9 Ų63.911%0.10535%0.354CS..  trans-86139.9-179.7178.20000110.9T12 N13 T49 L50 E55T12-S53 VanDerWaalsContact CB-OG 3.29Å; T12-S53 WeakPolarHBondContact CB-OG 3.41Å; N13-S53 PolarHBondContact N-OG 3.33Å; N13-S53 PolarHBondContact O-OG 3.37Å; T49-S53 PolarHBondContact O-N 2.57Å; T49-S53 VanDerWaalsContact O-N 3.09Å; L50-S53 PolarHBondContact O-N 2.87Å; S53-E55 PolarHBondContact OG-O 2.84Å
54T82.1Confident74.4Confident86 Ų8668.5 Ų68.553%0.52836%0.357SS..SBendtrans-79.3-29.317850.30000112N13 P14 A85N13-T54 PolarHBondContact O-N 2.9Å; N13-T54 PolarHBondContact O-OG1 3.12Å; N13-T54 VanDerWaalsContact O-OG1 3.13Å; P14-T54 VanDerWaalsContact CD-OG1 3.28Å; P14-T54 WeakPolarHBondContact CD-OG1 3.46Å; T54-A85 PolarHBondContact O-N 3.13Å
55E78.3Confident72.1Confident54 Ų5466.4 Ų66.425%0.25235%0.352SS..EExtended strand (participates in β ladder)trans-136.9126.4-176.9-73.1178.8-17200110.8T12 N13 S53 M82 R83 V84T12-E55 WeakPolarHBondContact CA-O 2.87Å; N13-E55 HydrophobicContact CB-CB 3.97Å; N13-E55 PolarHBondContact N-O 2.84Å; N13-E55 PolarHBondContact ND2-OE2 3.3Å; N13-E55 PolarHBondContact O-N 2.92Å; N13-E55 VanDerWaalsContact O-N 3.17Å; S53-E55 PolarHBondContact OG-O 2.84Å; E55-M82 HydrophobicContact CG-CE 4.31Å; E55-R83 WeakPolarHBondContact CA-O 3.3Å; E55-V84 HydrophobicContact CG-CG1 4.36Å; E55-V84 HydrophobicContact CG-CG2 4.35Å
56I77Confident69.7Low7 Ų769.8 Ų69.84%0.03638%0.377CS..EExtended strand (participates in β ladder)trans-121.4123.5177.4-54.3159.3000107.5A10 Y11 T12 L50 T58 R83A10-I56 HydrophobicContact CB-CG2 4.35Å; Y11-I56 WeakPolarHBondContact O-CA 3.46Å; T12-I56 HydrophobicContact CG2-CG1 4.22Å; T12-I56 HydrophobicContact CG2-CG2 4.47Å; L50-I56 HydrophobicContact CB-CD1 3.88Å; L50-I56 HydrophobicContact CD2-CD1 3.9Å; L50-I56 HydrophobicContact CD2-CG1 4.07Å; L50-I56 HydrophobicContact CD2-CG2 3.85Å; L50-I56 HydrophobicContact CG-CD1 4.35Å; I56-T58 HydrophobicContact CG2-CG2 3.94Å; I56-R83 HydrophobicContact CB-CB 4.45Å; I56-R83 PolarHBondContact N-O 3.5Å; I56-R83 PolarHBondContact O-N 3.39Å
57I76.7Confident67.3Low11 Ų1172.1 Ų72.16%0.05639%0.389CS..EExtended strand (participates in β ladder)trans-103.1113.6171.9-55.1176.4000106.8A10 Y11 M82 F104 L105A10-I57 CarbonylContact C-O 3.46Å; A10-I57 WeakPolarHBondContact CA-O 3.45Å; Y11-I57 HydrophobicContact CD1-CD1 4.2Å; Y11-I57 PolarHBondContact N-O 3.43Å; Y11-I57 PolarHBondContact O-N 3Å; I57-M82 HydrophobicContact CG1-CG 4.24Å; I57-F104 HydrophobicContact CD1-CE1 4.31Å; I57-L105 HydrophobicContact CB-CD2 3.7Å; I57-L105 HydrophobicContact CD1-CD2 3.43Å; I57-L105 VanDerWaalsContact CD1-CD2 3.43Å; I57-L105 HydrophobicContact CG1-CD2 4.12Å; I57-L105 HydrophobicContact CG2-CD2 3.49Å; I57-L105 VanDerWaalsContact CG2-CD2 3.49Å
58T75.5Confident64.9Low30 Ų3073.6 Ų73.618%0.18441%0.406CS..EExtended strand (participates in β ladder)trans-100.3129.6175.455.20000109.8I9 A10 I56 R81 W88I9-T58 WeakPolarHBondContact O-CA 3.43Å; A10-T58 HydrophobicContact CB-CG2 4.28Å; I56-T58 HydrophobicContact CG2-CG2 3.94Å; T58-R81 PolarHBondContact N-O 3.1Å; T58-R81 PolarHBondContact O-N 3.35Å; T58-R81 PolarHBondContact OG1-O 3.1Å; T58-R81 VanDerWaalsContact OG1-O 3.11Å; T58-W88 HydrophobicContact CG2-CH2 3.77Å; T58-W88 HydrophobicContact CG2-CZ3 4.36Å; T58-W88 WeakPolarHBondContact OG1-CH2 3.4Å; T58-W88 WeakPolarHBondContact OG1-CZ3 3.06Å
59A67Low62.7Low24 Ų2469.6 Ų69.620%0.19840%0.4CS..EExtended strand (participates in β ladder)trans-83.8126.2172.300000109.2I9 F101I9-A59 PolarHBondContact O-N 3.26Å; I9-A59 VanDerWaalsContact O-N 3.15Å; A59-F101 HydrophobicContact CB-CZ 3.97Å
60S55.2Low60.7Low52 Ų5274.9 Ų74.936%0.36444%0.435SS..PPolyproline II helixtrans-79.5138.7163.8-42.60000108.4I62 F79S60-I62 PolarHBondContact O-N 2.89Å; S60-F79 WeakPolarHBondContact CB-O 3.34Å; S60-F79 PolarHBondContact N-O 3.33Å; S60-F79 PolarHBondContact OG-O 2.94Å
61V54.2Low58.9Low91 Ų9179.5 Ų79.555%0.55246%0.459SS*.PPolyproline II helixtrans-56.4125.1-171-168.70000112.4P63V61-P63 HydrophobicContact CG1-CG 4.33Å
62I45.2Very low56.7Low71 Ų7175 Ų7536%0.36444%0.442SS..  trans-106.8120.7140.2-60.3-172.3000105.1S60 W64 S78S60-I62 PolarHBondContact O-N 2.89Å; I62-W64 PolarHBondContact O-N 2.91Å; I62-S78 WeakPolarHBondContact CD1-OG 3.35Å
63P40.6Very low54.5Low86 Ų8677.7 Ų77.756%0.55845%0.453SS*.  trans-54.7134.7172.6-20.330.7000108.7V61 I65V61-P63 HydrophobicContact CG1-CG 4.33Å; P63-I65 PolarHBondContact O-N 3.29Å
64W39.4Very low52.4Low165 Ų16583 Ų8363%0.62549%0.485SS*.  trans-6680.1163.7-81.687.8000108.1M1 I62 S66 L98M1-W64 HydrophobicContact CE-CZ2 4.36Å; I62-W64 PolarHBondContact O-N 2.91Å; W64-S66 PolarHBondContact O-N 3.46Å; W64-L98 HydrophobicContact CH2-CD2 3.96Å; W64-L98 HydrophobicContact CZ2-CD2 4.07Å
65I36.4Very low50.4Low98 Ų9882.6 Ų82.650%0.50348%0.479SS..  trans-72.9115.4161.739.9179.6000106.3P63 F67P63-I65 PolarHBondContact O-N 3.29Å; I65-F67 VanDerWaalsContact C-N 3.28Å; I65-F67 HydrophobicContact CB-CD2 4.49Å; I65-F67 HydrophobicContact CB-CE2 4.49Å; I65-F67 HydrophobicContact CD1-CD2 3.94Å; I65-F67 HydrophobicContact CD1-CE2 3.15Å; I65-F67 HydrophobicContact CD1-CZ 3.77Å; I65-F67 HydrophobicContact CG1-CD2 3.79Å; I65-F67 HydrophobicContact CG1-CE2 3.51Å; I65-F67 PolarHBondContact O-N 3.38Å
66S37.7Very low48.4Very low118 Ų11887.2 Ų87.283%0.82550%0.499SS*.  trans-56.594.8168.2-58.90000108.1W64 T68W64-S66 PolarHBondContact O-N 3.46Å; S66-T68 PolarHBondContact O-N 3.34Å; S66-T68 VanDerWaalsContact O-N 3.11Å
67F36.5Very low46.5Very low106 Ų10691.6 Ų91.647%0.46552%0.519SS..  trans-75103.4175.7-99.9-84.2000108.8I65 G69 L75I65-F67 VanDerWaalsContact C-N 3.28Å; I65-F67 HydrophobicContact CB-CD2 4.49Å; I65-F67 HydrophobicContact CB-CE2 4.49Å; I65-F67 HydrophobicContact CD1-CD2 3.94Å; I65-F67 HydrophobicContact CD1-CE2 3.15Å; I65-F67 HydrophobicContact CD1-CZ 3.77Å; I65-F67 HydrophobicContact CG1-CD2 3.79Å; I65-F67 HydrophobicContact CG1-CE2 3.51Å; I65-F67 PolarHBondContact O-N 3.38Å; F67-G69 PolarHBondContact O-N 2.57Å; F67-L75 HydrophobicContact CD2-CD1 4.32Å; F67-L75 HydrophobicContact CE2-CD1 3.46Å; F67-L75 VanDerWaalsContact CE2-CD1 3.46Å; F67-L75 HydrophobicContact CZ-CD1 3.78Å
68T38.3Very low44.8Very low148 Ų14892.4 Ų92.491%0.90853%0.526SS*.SBendtrans-83.177153.752.10000107.7S66S66-T68 PolarHBondContact O-N 3.34Å; S66-T68 VanDerWaalsContact O-N 3.11Å
69G43.1Very low43.3Very low41 Ų4195.4 Ų95.442%0.42354%0.537SS..SBendtrans167.9162.4178.500000112.6F67 I71F67-G69 PolarHBondContact O-N 2.57Å; G69-I71 PolarHBondContact O-N 3.47Å
70P44.8Very low41.9Very low126 Ų12694.5 Ų94.582%0.81853%0.528SS*.  trans-56.8136.6171.4-17.329.7000109.6G72P70-G72 PolarHBondContact O-N 3.1Å
71I47.8Very low41.3Very low126 Ų12699.4 Ų99.465%0.64654%0.539SS*.  trans-57.3108.6171-61.2172.1000106.5G69 N73 L75G69-I71 PolarHBondContact O-N 3.47Å; I71-N73 PolarHBondContact O-N 3.1Å; I71-L75 HydrophobicContact CG2-CD1 4.3Å
72G41.8Very low40.6Very low33 Ų3396.7 Ų96.734%0.3452%0.521SS..  trans-65.2133.9170.300000108P70 T74 L75P70-G72 PolarHBondContact O-N 3.1Å; G72-T74 PolarHBondContact O-N 2.63Å; G72-L75 PolarHBondContact O-N 3.33Å
73N42.3Very low40.2Very low144 Ų14496.5 Ų96.577%0.7752%0.516SS*.THydrogen-bonded Turntrans-56.4-6.1175.8-59.3-6000113.1I71 F76I71-N73 PolarHBondContact O-N 3.1Å; N73-F76 WeakPolarHBondContact O-CD2 3.5Å; N73-F76 WeakPolarHBondContact O-CE2 3.01Å
74T40.6Very low40.4Very low126 Ų12694.4 Ų94.477%0.77350%0.501SS*.THydrogen-bonded Turntrans-82.2-3.6179.950.20000114.8G72 F76G72-T74 PolarHBondContact O-N 2.63Å; T74-F76 PolarHBondContact O-N 2.88Å
75L39.7Very low41Very low78 Ų7890.3 Ų90.341%0.40850%0.502SS..  trans-7868.3164.5-76.7156.2000109.4F67 I71 G72F67-L75 HydrophobicContact CD2-CD1 4.32Å; F67-L75 HydrophobicContact CE2-CD1 3.46Å; F67-L75 VanDerWaalsContact CE2-CD1 3.46Å; F67-L75 HydrophobicContact CZ-CD1 3.78Å; I71-L75 HydrophobicContact CG2-CD1 4.3Å; G72-L75 PolarHBondContact O-N 3.33Å
76F36Very low41.4Very low150 Ų15093.9 Ų93.966%0.65851%0.514SS*.  trans-79.4139.3170.5-80.6-83000109.4N73 T74N73-F76 WeakPolarHBondContact O-CD2 3.5Å; N73-F76 WeakPolarHBondContact O-CE2 3.01Å; T74-F76 PolarHBondContact O-N 2.88Å
77E37.2Very low41.4Very low100 Ų10094.8 Ų94.847%0.46751%0.505SS..  trans83.876.9155.3-60.5164.7-151.600118.3F79 E94E77-F79 HydrophobicContact CB-CD2 4.34Å; E77-F79 HydrophobicContact CB-CE2 3.68Å; E77-F79 HydrophobicContact CB-CZ 3.9Å; E77-F79 HydrophobicContact CG-CE2 4.43Å; E77-F79 HydrophobicContact CG-CZ 4.17Å; E77-F79 PolarHBondContact O-N 3.44Å; E77-F79 VanDerWaalsContact OE2-CZ 3.3Å; E77-F79 WeakPolarHBondContact OE2-CZ 3.11Å; E77-E94 HydrophobicContact CG-CG 4.18Å
78S42.4Very low41.3Very low28 Ų2896.4 Ų96.420%0.19651%0.508CS..EExtended strand (participates in β ladder)trans-74.4110.8152.7-52.20000108.7I62 E94 F95I62-S78 WeakPolarHBondContact CD1-OG 3.35Å; S78-E94 WeakPolarHBondContact O-CA 3.32Å; S78-F95 PolarHBondContact OG-O 2.79Å
79F42.2Very low41.5Very low93 Ų9393.1 Ų93.141%0.40849%0.485SS..EExtended strand (participates in β ladder)trans-87.4112.4170.7-66.4-80000110.2S60 E77S60-F79 WeakPolarHBondContact CB-O 3.34Å; S60-F79 PolarHBondContact N-O 3.33Å; S60-F79 PolarHBondContact OG-O 2.94Å; E77-F79 HydrophobicContact CB-CD2 4.34Å; E77-F79 HydrophobicContact CB-CE2 3.68Å; E77-F79 HydrophobicContact CB-CZ 3.9Å; E77-F79 HydrophobicContact CG-CE2 4.43Å; E77-F79 HydrophobicContact CG-CZ 4.17Å; E77-F79 PolarHBondContact O-N 3.44Å; E77-F79 VanDerWaalsContact OE2-CZ 3.3Å; E77-F79 WeakPolarHBondContact OE2-CZ 3.11Å
80C37.8Very low41Very low4 Ų494.9 Ų94.93%0.02750%0.504CS..EExtended strand (participates in β ladder)trans-91.5131.3165.4-69.90000110.8G92 Y93 F95 F101C80-G92 WeakPolarHBondContact O-CA 3.11Å; C80-Y93 PolarHBondContact N-O 3.22Å; C80-Y93 VanDerWaalsContact N-O 3.12Å; C80-Y93 PolarHBondContact O-N 3.15Å; C80-F95 HydrophobicContact CB-CD2 4.39Å; C80-F95 HydrophobicContact CB-CE2 3.72Å; C80-F95 WeakPolarHBondContact SG-CE2 3.33Å; C80-F101 WeakPolarHBondContact SG-CE2 3.28Å
81R44.5Very low40.9Very low156 Ų15695.9 Ų95.959%0.58950%0.495SS*.EExtended strand (participates in β ladder)trans-103124.9169.8-68.3-175-178.9177.21.6108.6T58 W88T58-R81 PolarHBondContact N-O 3.1Å; T58-R81 PolarHBondContact O-N 3.35Å; T58-R81 PolarHBondContact OG1-O 3.1Å; T58-R81 VanDerWaalsContact OG1-O 3.11Å; R81-W88 HydrophobicContact CB-CE3 3.82Å; R81-W88 HydrophobicContact CB-CZ3 3.65Å
82M37.6Very low40.5Very low34 Ų3491.8 Ų91.817%0.16748%0.484CS..EExtended strand (participates in β ladder)trans-100.9133.9174.5-170.5-172.8-166.900109.7E55 I57 V84 N89E55-M82 HydrophobicContact CG-CE 4.31Å; I57-M82 HydrophobicContact CG1-CG 4.24Å; M82-V84 HydrophobicContact CE-CG2 3.53Å; M82-V84 HydrophobicContact CG-CG2 3.86Å; M82-V84 HydrophobicContact SD-CG2 3.57Å; M82-V84 VanDerWaalsContact SD-CG2 3.57Å; M82-N89 PolarHBondContact O-N 3.33Å; M82-N89 VanDerWaalsContact O-N 3.16Å
83R36.9Very low40.8Very low67 Ų6794.4 Ų94.425%0.25348%0.484SS..EExtended strand (participates in β ladder)trans-107.5116.8167.7-170.1-177.3-178.5-153.3-2.1109E55 I56 K86 Q87 W88E55-R83 WeakPolarHBondContact CA-O 3.3Å; I56-R83 HydrophobicContact CB-CB 4.45Å; I56-R83 PolarHBondContact N-O 3.5Å; I56-R83 PolarHBondContact O-N 3.39Å; R83-K86 PolarHBondContact NE-O 3.36Å; R83-K86 VanDerWaalsContact NE-O 3.13Å; R83-K86 PolarHBondContact NH2-O 2.8Å; R83-Q87 WeakPolarHBondContact CA-O 3.02Å; R83-Q87 WeakPolarHBondContact CG-O 3.42Å; R83-W88 HydrophobicContact CB-CD2 4.07Å; R83-W88 HydrophobicContact CB-CE3 3.85Å; R83-W88 HydrophobicContact CB-CH2 4.35Å; R83-W88 HydrophobicContact CB-CZ3 4Å; R83-W88 HydrophobicContact CG-CD2 4.32Å
84V46.1Very low40.7Very low42 Ų4292.8 Ų92.826%0.25547%0.472SS..EExtended strand (participates in β ladder)trans-113.9131.9174.4-177.50000108.2E55 M82 K86 Q87E55-V84 HydrophobicContact CG-CG1 4.36Å; E55-V84 HydrophobicContact CG-CG2 4.35Å; M82-V84 HydrophobicContact CE-CG2 3.53Å; M82-V84 HydrophobicContact CG-CG2 3.86Å; M82-V84 HydrophobicContact SD-CG2 3.57Å; M82-V84 VanDerWaalsContact SD-CG2 3.57Å; V84-K86 VanDerWaalsContact C-N 3.26Å; V84-K86 PolarHBondContact O-N 3.35Å; V84-K86 VanDerWaalsContact O-N 3.12Å; V84-Q87 PolarHBondContact N-O 2.87Å; V84-Q87 PolarHBondContact O-N 2.95Å
85A51Low40.9Very low78 Ų7887.6 Ų87.665%0.64544%0.439SS*.THydrogen-bonded Turntrans49.545.4172.900000113.7T54 Q87T54-A85 PolarHBondContact O-N 3.13Å; A85-Q87 VanDerWaalsContact C-N 3.26Å; A85-Q87 PolarHBondContact O-N 2.85Å
86K46.2Very low41.1Very low173 Ų17389.4 Ų89.475%0.75245%0.454SS*.THydrogen-bonded Turntrans70.7-5.1-177.6-56.7-179.6179178.10116.9R83 V84R83-K86 PolarHBondContact NE-O 3.36Å; R83-K86 VanDerWaalsContact NE-O 3.13Å; R83-K86 PolarHBondContact NH2-O 2.8Å; V84-K86 VanDerWaalsContact C-N 3.26Å; V84-K86 PolarHBondContact O-N 3.35Å; V84-K86 VanDerWaalsContact O-N 3.12Å
87Q37.2Very low41.4Very low138 Ų13886.1 Ų86.165%0.64544%0.443SS*.EExtended strand (participates in β ladder)trans-101135176.8-67.6-179.3-21.200111.3R83 V84 A85 N89R83-Q87 WeakPolarHBondContact CA-O 3.02Å; R83-Q87 WeakPolarHBondContact CG-O 3.42Å; V84-Q87 PolarHBondContact N-O 2.87Å; V84-Q87 PolarHBondContact O-N 2.95Å; A85-Q87 VanDerWaalsContact C-N 3.26Å; A85-Q87 PolarHBondContact O-N 2.85Å; Q87-N89 PolarHBondContact O-N 2.82Å
88W34.7Very low41.8Very low139 Ų13985.1 Ų85.153%0.52744%0.44SS..EExtended strand (participates in β ladder)trans-77.5107.7168.5-71.4104.6000108T58 R81 R83 G90T58-W88 HydrophobicContact CG2-CH2 3.77Å; T58-W88 HydrophobicContact CG2-CZ3 4.36Å; T58-W88 WeakPolarHBondContact OG1-CH2 3.4Å; T58-W88 WeakPolarHBondContact OG1-CZ3 3.06Å; R81-W88 HydrophobicContact CB-CE3 3.82Å; R81-W88 HydrophobicContact CB-CZ3 3.65Å; R83-W88 HydrophobicContact CB-CD2 4.07Å; R83-W88 HydrophobicContact CB-CE3 3.85Å; R83-W88 HydrophobicContact CB-CH2 4.35Å; R83-W88 HydrophobicContact CB-CZ3 4Å; R83-W88 HydrophobicContact CG-CD2 4.32Å; W88-G90 PolarHBondContact O-N 2.92Å
89N41.9Very low42.2Very low79 Ų7988.7 Ų88.742%0.42246%0.457SS..EExtended strand (participates in β ladder)trans-78109.5167.7-75.8-20.8000105.9M82 Q87 K91M82-N89 PolarHBondContact O-N 3.33Å; M82-N89 VanDerWaalsContact O-N 3.16Å; Q87-N89 PolarHBondContact O-N 2.82Å; N89-K91 PolarHBondContact O-N 3.28Å
90G32.4Very low42.6Very low79 Ų7988 Ų8881%0.81446%0.455SS*.EExtended strand (participates in β ladder)trans-63.319179.700000115.2W88 G92W88-G90 PolarHBondContact O-N 2.92Å; G90-G92 PolarHBondContact O-N 3.16Å; G90-G92 VanDerWaalsContact O-N 3.08Å
91K42.4Very low43.2Very low147 Ų14789.1 Ų89.164%0.63946%0.46SS*.EExtended strand (participates in β ladder)trans-72.897.6168.8-70-169.8177.3-175.10107.6N89 Y93N89-K91 PolarHBondContact O-N 3.28Å; K91-Y93 HydrophobicContact CB-CE2 4.18Å
92G40.5Very low43.4Very low40 Ų4084.9 Ų84.941%0.41245%0.448SS..EExtended strand (participates in β ladder)trans-64.1126.1161.400000108.5C80 G90C80-G92 WeakPolarHBondContact O-CA 3.11Å; G90-G92 PolarHBondContact O-N 3.16Å; G90-G92 VanDerWaalsContact O-N 3.08Å
93Y46.8Very low44.3Very low87 Ų8789.3 Ų89.334%0.34147%0.466SS..EExtended strand (participates in β ladder)trans-98121.8164.3-66.9-92.8000107.4C80 K91 F95 F104C80-Y93 PolarHBondContact N-O 3.22Å; C80-Y93 VanDerWaalsContact N-O 3.12Å; C80-Y93 PolarHBondContact O-N 3.15Å; K91-Y93 HydrophobicContact CB-CE2 4.18Å; Y93-F95 VanDerWaalsContact CB-CE2 3.47Å; Y93-F95 VanDerWaalsContact CB-CZ 3.43Å; Y93-F95 HydrophobicContact CG-CZ 4.22Å; Y93-F104 AromaticContact CD1-CE2 3.81Å; Y93-F104 HydrophobicContact CD1-CE2 3.81Å; Y93-F104 HydrophobicContact CD1-CZ 4.04Å; Y93-F104 HydrophobicContact CD2-CE1 4.42Å; Y93-F104 HydrophobicContact CD2-CE2 4.42Å; Y93-F104 AromaticContact CD2-CZ 3.81Å; Y93-F104 HydrophobicContact CD2-CZ 3.81Å; Y93-F104 AromaticContact CE1-CE2 3.74Å; Y93-F104 HydrophobicContact CE1-CE2 3.74Å; Y93-F104 HydrophobicContact CE1-CZ 4.02Å; Y93-F104 HydrophobicContact CE2-CE2 4.37Å; Y93-F104 AromaticContact CE2-CZ 3.8Å; Y93-F104 HydrophobicContact CE2-CZ 3.8Å; Y93-F104 HydrophobicContact CG-CE2 4.15Å; Y93-F104 AromaticContact CG-CZ 3.93Å; Y93-F104 HydrophobicContact CG-CZ 3.93Å; Y93-F104 AromaticContact CZ-CZ 3.9Å
94E40Very low45.1Very low111 Ų11188.9 Ų88.952%0.51947%0.466SS..EExtended strand (participates in β ladder)trans-83.1126.3169.5-74.9174.4-157.800109.1E77 S78E77-E94 HydrophobicContact CG-CG 4.18Å; S78-E94 WeakPolarHBondContact O-CA 3.32Å
95F45.1Very low45.1Very low16 Ų1687.4 Ų87.47%0.0746%0.457CS..EExtended strand (participates in β ladder)trans-115.6132.3173.6-60-75.4000109.2S78 C80 Y93 E100 F101 F104S78-F95 PolarHBondContact OG-O 2.79Å; C80-F95 HydrophobicContact CB-CD2 4.39Å; C80-F95 HydrophobicContact CB-CE2 3.72Å; C80-F95 WeakPolarHBondContact SG-CE2 3.33Å; Y93-F95 VanDerWaalsContact CB-CE2 3.47Å; Y93-F95 VanDerWaalsContact CB-CZ 3.43Å; Y93-F95 HydrophobicContact CG-CZ 4.22Å; F95-E100 HydrophobicContact CD1-CB 4.26Å; F95-E100 HydrophobicContact CD1-CG 3.98Å; F95-F101 HydrophobicContact CB-CB 4.23Å; F95-F101 HydrophobicContact CD1-CB 4.42Å; F95-F101 HydrophobicContact CD2-CB 4.34Å; F95-F101 AromaticContact CD2-CD2 3.77Å; F95-F101 HydrophobicContact CD2-CD2 3.77Å; F95-F101 AromaticContact CE2-CD2 3.84Å; F95-F101 HydrophobicContact CE2-CD2 3.84Å; F95-F101 HydrophobicContact CG-CB 4.06Å; F95-F101 HydrophobicContact CG-CD2 4.32Å; F95-F101 HydrophobicContact CZ-CD2 4.47Å; F95-F104 HydrophobicContact CD1-CB 4.44Å; F95-F104 HydrophobicContact CE1-CB 3.42Å; F95-F104 VanDerWaalsContact CE1-CB 3.42Å; F95-F104 HydrophobicContact CE1-CD1 4.02Å; F95-F104 HydrophobicContact CE1-CD2 4.03Å; F95-F104 AromaticContact CE1-CG 3.55Å; F95-F104 HydrophobicContact CE1-CG 3.55Å; F95-F104 HydrophobicContact CE2-CD1 4.26Å; F95-F104 HydrophobicContact CZ-CB 3.72Å; F95-F104 AromaticContact CZ-CD1 3.37Å; F95-F104 HydrophobicContact CZ-CD1 3.37Å; F95-F104 AromaticContact CZ-CD2 3.93Å; F95-F104 HydrophobicContact CZ-CD2 3.93Å; F95-F104 AromaticContact CZ-CE1 3.91Å; F95-F104 HydrophobicContact CZ-CE1 3.91Å; F95-F104 HydrophobicContact CZ-CE2 4.4Å; F95-F104 AromaticContact CZ-CG 3.37Å; F95-F104 HydrophobicContact CZ-CG 3.37Å; F95-F104 HydrophobicContact CZ-CZ 4.39Å
96T44.9Very low44.9Very low117 Ų11787.1 Ų87.172%0.71844%0.441SS*.SBendtrans-83.6-19.8-179.861.20000112.6E100T96-E100 PolarHBondContact N-OE2 2.7Å; T96-E100 PolarHBondContact OG1-OE2 2.9Å
97N42.4Very low44.8Very low81 Ų8188 Ų8843%0.43345%0.454SS..SBendtrans-158.9167.9179.262.572.8000112.7D99 E100 F101N97-D99 PolarHBondContact O-N 3.42Å; N97-D99 WeakPolarHBondContact OD1-CB 3.34Å; N97-D99 PolarHBondContact OD1-N 2.83Å; N97-D99 VanDerWaalsContact OD1-N 3.15Å; N97-E100 WeakPolarHBondContact O-CB 3.28Å; N97-E100 PolarHBondContact O-N 2.89Å; N97-E100 PolarHBondContact OD1-N 3.31Å; N97-F101 PolarHBondContact O-N 2.96Å; N97-F101 VanDerWaalsContact O-N 3.16Å
98L45Very low45.2Very low78 Ų7885.5 Ų85.541%0.40845%0.445SS..Hα-helixtrans-64-38-177.8-179.263.9000113.1W64 E100 F101 I102W64-L98 HydrophobicContact CH2-CD2 3.96Å; W64-L98 HydrophobicContact CZ2-CD2 4.07Å; L98-E100 VanDerWaalsContact C-N 3.27Å; L98-E100 PolarHBondContact O-N 3.49Å; L98-F101 HydrophobicContact CD1-CD1 4.27Å; L98-F101 PolarHBondContact O-N 3.24Å; L98-I102 HydrophobicContact CD1-CD1 3.95Å; L98-I102 HydrophobicContact CD1-CG1 4.04Å; L98-I102 HydrophobicContact CD2-CD1 4.22Å; L98-I102 HydrophobicContact CG-CD1 3.71Å; L98-I102 HydrophobicContact CG-CG1 4.19Å; L98-I102 WeakPolarHBondContact O-CB 3.47Å; L98-I102 VanDerWaalsContact O-CG1 3.28Å; L98-I102 WeakPolarHBondContact O-CG1 3.23Å; L98-I102 PolarHBondContact O-N 2.71Å
99D50.1Low45.8Very low103 Ų10382.7 Ų82.755%0.55144%0.44SS*.Hα-helixtrans-63.2-37.7178-82.9-17.2000111.2N97 K103N97-D99 PolarHBondContact O-N 3.42Å; N97-D99 WeakPolarHBondContact OD1-CB 3.34Å; N97-D99 PolarHBondContact OD1-N 2.83Å; N97-D99 VanDerWaalsContact OD1-N 3.15Å; D99-K103 VanDerWaalsContact O-CB 3.23Å; D99-K103 WeakPolarHBondContact O-CB 3.46Å; D99-K103 WeakPolarHBondContact O-CD 3.09Å; D99-K103 WeakPolarHBondContact O-CG 2.81Å; D99-K103 PolarHBondContact O-N 3.47Å
100E50.5Low46Very low80 Ų8082.9 Ų82.937%0.37444%0.441SS..Hα-helixtrans-66.6-43.9176.2-158.5-178.1-172.400111.3F95 T96 N97 L98 K103 F104F95-E100 HydrophobicContact CD1-CB 4.26Å; F95-E100 HydrophobicContact CD1-CG 3.98Å; T96-E100 PolarHBondContact N-OE2 2.7Å; T96-E100 PolarHBondContact OG1-OE2 2.9Å; N97-E100 WeakPolarHBondContact O-CB 3.28Å; N97-E100 PolarHBondContact O-N 2.89Å; N97-E100 PolarHBondContact OD1-N 3.31Å; L98-E100 VanDerWaalsContact C-N 3.27Å; L98-E100 PolarHBondContact O-N 3.49Å; E100-K103 PolarHBondContact O-N 2.73Å; E100-F104 WeakPolarHBondContact O-CB 3.35Å; E100-F104 PolarHBondContact O-N 2.92Å
101F51.8Low46.8Very low27 Ų2783.1 Ų83.112%0.11842%0.419CS..Hα-helixtrans-62.3-47.3174.6176.4-112.1000111.9A59 C80 F95 N97 L98 F104 L105A59-F101 HydrophobicContact CB-CZ 3.97Å; C80-F101 WeakPolarHBondContact SG-CE2 3.28Å; F95-F101 HydrophobicContact CB-CB 4.23Å; F95-F101 HydrophobicContact CD1-CB 4.42Å; F95-F101 HydrophobicContact CD2-CB 4.34Å; F95-F101 AromaticContact CD2-CD2 3.77Å; F95-F101 HydrophobicContact CD2-CD2 3.77Å; F95-F101 AromaticContact CE2-CD2 3.84Å; F95-F101 HydrophobicContact CE2-CD2 3.84Å; F95-F101 HydrophobicContact CG-CB 4.06Å; F95-F101 HydrophobicContact CG-CD2 4.32Å; F95-F101 HydrophobicContact CZ-CD2 4.47Å; N97-F101 PolarHBondContact O-N 2.96Å; N97-F101 VanDerWaalsContact O-N 3.16Å; L98-F101 HydrophobicContact CD1-CD1 4.27Å; L98-F101 PolarHBondContact O-N 3.24Å; F101-F104 PolarHBondContact O-N 2.81Å; F101-L105 HydrophobicContact CD1-CD1 3.96Å; F101-L105 HydrophobicContact CD1-CG 4.49Å; F101-L105 HydrophobicContact CD2-CG 4.39Å; F101-L105 HydrophobicContact CE1-CD1 3.37Å; F101-L105 HydrophobicContact CE1-CG 4.15Å; F101-L105 HydrophobicContact CE2-CD1 4.07Å; F101-L105 HydrophobicContact CE2-CD2 4.11Å; F101-L105 HydrophobicContact CE2-CG 4.01Å; F101-L105 HydrophobicContact CZ-CD1 3.44Å; F101-L105 VanDerWaalsContact CZ-CD1 3.44Å; F101-L105 HydrophobicContact CZ-CD2 4.1Å; F101-L105 HydrophobicContact CZ-CG 3.9Å; F101-L105 WeakPolarHBondContact O-CG 3.48Å; F101-L105 PolarHBondContact O-N 3.3Å
102I48.6Very low47Very low66 Ų6679.1 Ų79.134%0.33841%0.406SS..Hα-helixtrans-61.1-49.1176.9-73.9177.3000110L98 F104 L105 F106L98-I102 HydrophobicContact CD1-CD1 3.95Å; L98-I102 HydrophobicContact CD1-CG1 4.04Å; L98-I102 HydrophobicContact CD2-CD1 4.22Å; L98-I102 HydrophobicContact CG-CD1 3.71Å; L98-I102 HydrophobicContact CG-CG1 4.19Å; L98-I102 WeakPolarHBondContact O-CB 3.47Å; L98-I102 VanDerWaalsContact O-CG1 3.28Å; L98-I102 WeakPolarHBondContact O-CG1 3.23Å; L98-I102 PolarHBondContact O-N 2.71Å; I102-F104 VanDerWaalsContact C-N 3.28Å; I102-F104 PolarHBondContact O-N 3.34Å; I102-L105 PolarHBondContact O-N 2.8Å; I102-L105 VanDerWaalsContact O-N 3.1Å; I102-F106 HydrophobicContact CB-CD2 4.35Å; I102-F106 HydrophobicContact CB-CE2 4.43Å; I102-F106 HydrophobicContact CG2-CD2 3.54Å; I102-F106 HydrophobicContact CG2-CE2 3.78Å; I102-F106 WeakPolarHBondContact O-CB 3.12Å; I102-F106 WeakPolarHBondContact O-CD2 3.16Å; I102-F106 PolarHBondContact O-N 3.11Å
103K55.1Low47.5Very low128 Ų12881.7 Ų81.756%0.55741%0.405SS*.Hα-helixtrans-59.6-38.3177.1-76.8169.2-176.1169.30112.3D99 E100 F106 N107D99-K103 VanDerWaalsContact O-CB 3.23Å; D99-K103 WeakPolarHBondContact O-CB 3.46Å; D99-K103 WeakPolarHBondContact O-CD 3.09Å; D99-K103 WeakPolarHBondContact O-CG 2.81Å; D99-K103 PolarHBondContact O-N 3.47Å; E100-K103 PolarHBondContact O-N 2.73Å; K103-F106 PolarHBondContact O-N 3.26Å; K103-N107 VanDerWaalsContact O-CB 3.32Å; K103-N107 WeakPolarHBondContact O-CB 3.42Å; K103-N107 PolarHBondContact O-N 3.44Å
104F54.3Low47.5Very low57 Ų5781.4 Ų81.425%0.2541%0.41CS..Hα-helixtrans-69.2-35.6174.7175.9-91.8000113I57 Y93 F95 E100 F101 I102 F106I57-F104 HydrophobicContact CD1-CE1 4.31Å; Y93-F104 AromaticContact CD1-CE2 3.81Å; Y93-F104 HydrophobicContact CD1-CE2 3.81Å; Y93-F104 HydrophobicContact CD1-CZ 4.04Å; Y93-F104 HydrophobicContact CD2-CE1 4.42Å; Y93-F104 HydrophobicContact CD2-CE2 4.42Å; Y93-F104 AromaticContact CD2-CZ 3.81Å; Y93-F104 HydrophobicContact CD2-CZ 3.81Å; Y93-F104 AromaticContact CE1-CE2 3.74Å; Y93-F104 HydrophobicContact CE1-CE2 3.74Å; Y93-F104 HydrophobicContact CE1-CZ 4.02Å; Y93-F104 HydrophobicContact CE2-CE2 4.37Å; Y93-F104 AromaticContact CE2-CZ 3.8Å; Y93-F104 HydrophobicContact CE2-CZ 3.8Å; Y93-F104 HydrophobicContact CG-CE2 4.15Å; Y93-F104 AromaticContact CG-CZ 3.93Å; Y93-F104 HydrophobicContact CG-CZ 3.93Å; Y93-F104 AromaticContact CZ-CZ 3.9Å; F95-F104 HydrophobicContact CD1-CB 4.44Å; F95-F104 HydrophobicContact CE1-CB 3.42Å; F95-F104 VanDerWaalsContact CE1-CB 3.42Å; F95-F104 HydrophobicContact CE1-CD1 4.02Å; F95-F104 HydrophobicContact CE1-CD2 4.03Å; F95-F104 AromaticContact CE1-CG 3.55Å; F95-F104 HydrophobicContact CE1-CG 3.55Å; F95-F104 HydrophobicContact CE2-CD1 4.26Å; F95-F104 HydrophobicContact CZ-CB 3.72Å; F95-F104 AromaticContact CZ-CD1 3.37Å; F95-F104 HydrophobicContact CZ-CD1 3.37Å; F95-F104 AromaticContact CZ-CD2 3.93Å; F95-F104 HydrophobicContact CZ-CD2 3.93Å; F95-F104 AromaticContact CZ-CE1 3.91Å; F95-F104 HydrophobicContact CZ-CE1 3.91Å; F95-F104 HydrophobicContact CZ-CE2 4.4Å; F95-F104 AromaticContact CZ-CG 3.37Å; F95-F104 HydrophobicContact CZ-CG 3.37Å; F95-F104 HydrophobicContact CZ-CZ 4.39Å; E100-F104 WeakPolarHBondContact O-CB 3.35Å; E100-F104 PolarHBondContact O-N 2.92Å; F101-F104 PolarHBondContact O-N 2.81Å; I102-F104 VanDerWaalsContact C-N 3.28Å; I102-F104 PolarHBondContact O-N 3.34Å; F104-F106 VanDerWaalsContact C-N 3.29Å
105L47.2Very low48.1Very low12 Ų1279.1 Ų79.16%0.06340%0.401CS..Hα-helixtrans-68.3-28.8174.9-73.6-177.3000112.9Y11 I57 F101 I102Y11-L105 HydrophobicContact CD1-CD2 4.06Å; Y11-L105 HydrophobicContact CG-CD2 4.33Å; I57-L105 HydrophobicContact CB-CD2 3.7Å; I57-L105 HydrophobicContact CD1-CD2 3.43Å; I57-L105 VanDerWaalsContact CD1-CD2 3.43Å; I57-L105 HydrophobicContact CG1-CD2 4.12Å; I57-L105 HydrophobicContact CG2-CD2 3.49Å; I57-L105 VanDerWaalsContact CG2-CD2 3.49Å; F101-L105 HydrophobicContact CD1-CD1 3.96Å; F101-L105 HydrophobicContact CD1-CG 4.49Å; F101-L105 HydrophobicContact CD2-CG 4.39Å; F101-L105 HydrophobicContact CE1-CD1 3.37Å; F101-L105 HydrophobicContact CE1-CG 4.15Å; F101-L105 HydrophobicContact CE2-CD1 4.07Å; F101-L105 HydrophobicContact CE2-CD2 4.11Å; F101-L105 HydrophobicContact CE2-CG 4.01Å; F101-L105 HydrophobicContact CZ-CD1 3.44Å; F101-L105 VanDerWaalsContact CZ-CD1 3.44Å; F101-L105 HydrophobicContact CZ-CD2 4.1Å; F101-L105 HydrophobicContact CZ-CG 3.9Å; F101-L105 WeakPolarHBondContact O-CG 3.48Å; F101-L105 PolarHBondContact O-N 3.3Å; I102-L105 PolarHBondContact O-N 2.8Å; I102-L105 VanDerWaalsContact O-N 3.1Å
106F45.9Very low48.4Very low72 Ų7284.3 Ų84.332%0.31643%0.429SS..Hα-helixtrans-115.3-2.2-168.7-62-58.2000116.2Y11 L18 L34 I102 K103 F104Y11-F106 HydrophobicContact CD2-CE1 4.45Å; Y11-F106 AromaticContact CE2-CE1 3.86Å; Y11-F106 HydrophobicContact CE2-CE1 3.86Å; L18-F106 HydrophobicContact CD1-CZ 4.44Å; L18-F106 HydrophobicContact CD2-CZ 4.38Å; L34-F106 HydrophobicContact CB-CZ 4.43Å; L34-F106 HydrophobicContact CD1-CD1 4.25Å; L34-F106 HydrophobicContact CD1-CE1 4.04Å; L34-F106 HydrophobicContact CD1-CZ 4.39Å; L34-F106 HydrophobicContact CD2-CD1 4.1Å; L34-F106 HydrophobicContact CD2-CE1 3.24Å; L34-F106 HydrophobicContact CD2-CZ 3.7Å; L34-F106 HydrophobicContact CG-CE1 4.16Å; L34-F106 HydrophobicContact CG-CZ 4.39Å; I102-F106 HydrophobicContact CB-CD2 4.35Å; I102-F106 HydrophobicContact CB-CE2 4.43Å; I102-F106 HydrophobicContact CG2-CD2 3.54Å; I102-F106 HydrophobicContact CG2-CE2 3.78Å; I102-F106 WeakPolarHBondContact O-CB 3.12Å; I102-F106 WeakPolarHBondContact O-CD2 3.16Å; I102-F106 PolarHBondContact O-N 3.11Å; K103-F106 PolarHBondContact O-N 3.26Å; F104-F106 VanDerWaalsContact C-N 3.29Å
107N44.6Very low48.7Very low191 Ų19181.4 Ų81.4100%1.02140%0.403SS*.  trans-1120167.4-78.2-30.8000110.7K103K103-N107 VanDerWaalsContact O-CB 3.32Å; K103-N107 WeakPolarHBondContact O-CB 3.42Å; K103-N107 PolarHBondContact O-N 3.44Å

Retrieved 107 of 107 residues in 70.1 ms (Link to these results)

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