A0A077Z215_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z215, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 752 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
1M51.1Low49.3Very low61 Ų6172.3 Ų72.330%0.338%0.377SS..  0131.30-74.9-167.2162.600110.4F243 L254 I262 V298 H299 S300M1-F243 HydrophobicContact CE-CD1 3.92Å; M1-F243 HydrophobicContact CE-CD2 3.92Å; M1-F243 HydrophobicContact CE-CE1 3.34Å; M1-F243 HydrophobicContact CE-CE2 3.36Å; M1-F243 HydrophobicContact CE-CG 4.19Å; M1-F243 HydrophobicContact CE-CZ 3.04Å; M1-F243 HydrophobicContact SD-CD1 3.93Å; M1-F243 HydrophobicContact SD-CE1 3.69Å; M1-F243 HydrophobicContact SD-CG 4.48Å; M1-F243 HydrophobicContact SD-CZ 4.06Å; M1-L254 HydrophobicContact CE-CD2 4.46Å; M1-L254 HydrophobicContact CG-CD2 4.45Å; M1-L254 HydrophobicContact SD-CD2 3.1Å; M1-L254 WeakPolarHBondContact SD-CD2 3.39Å; M1-I262 HydrophobicContact SD-CD1 4.41Å; M1-V298 HydrophobicContact CE-CG1 3.93Å; M1-V298 HydrophobicContact CG-CG1 4.45Å; M1-V298 HydrophobicContact SD-CG1 3.86Å; M1-H299 CarbonylContact C-O 3.55Å; M1-H299 WeakPolarHBondContact CA-O 3.43Å; M1-S300 VanDerWaalsContact CA-OG 3.3Å; M1-S300 WeakPolarHBondContact CA-OG 3.27Å; M1-S300 WeakPolarHBondContact CG-OG 3.43Å; M1-S300 PolarHBondContact N-OG 2.64Å
2K52.8Low49.6Very low127 Ų12770.3 Ų70.355%0.55237%0.37SS*.EExtended strand (participates in β ladder)trans-125.6134.3171.9-170.8-179.2179.8-171.30108.5H299K2-H299 PolarHBondContact N-O 3.12Å; K2-H299 PolarHBondContact O-N 3.32Å; K2-H299 PolarHBondContact O-ND1 3.45Å
3L56Low50.5Low12 Ų1265 Ų656%0.06334%0.343CS..EExtended strand (participates in β ladder)trans-99.6123.2172.8-78.4164.1000107.3L252 V263 E265 F296 Y297 V298L3-L252 HydrophobicContact CD1-CD2 4.12Å; L3-L252 HydrophobicContact CD2-CD2 4.16Å; L3-V263 HydrophobicContact CD1-CG1 3.97Å; L3-E265 HydrophobicContact CB-CG 3.47Å; L3-E265 VanDerWaalsContact CB-CG 3.47Å; L3-E265 HydrophobicContact CD1-CB 4.19Å; L3-E265 HydrophobicContact CD1-CG 3.51Å; L3-E265 HydrophobicContact CG-CG 4.12Å; L3-F296 HydrophobicContact CB-CB 4.37Å; L3-F296 HydrophobicContact CB-CD1 3.89Å; L3-F296 HydrophobicContact CD2-CB 3.44Å; L3-F296 VanDerWaalsContact CD2-CB 3.44Å; L3-F296 HydrophobicContact CD2-CD1 4.32Å; L3-F296 HydrophobicContact CD2-CG 4.12Å; L3-F296 HydrophobicContact CG-CB 4.47Å; L3-Y297 WeakPolarHBondContact CA-O 3.45Å; L3-V298 HydrophobicContact CD2-CG2 3.87Å
4Q53.6Low51.7Low71 Ų7165.8 Ų65.833%0.33235%0.346SS..EExtended strand (participates in β ladder)trans-117.4120.7178.7-178.6172.5-19.200110.3F296 Y297Q4-F296 WeakPolarHBondContact O-CA 3.48Å; Q4-Y297 PolarHBondContact N-O 3.38Å; Q4-Y297 PolarHBondContact O-N 2.67Å
5R58.9Low53.9Low102 Ų10261.6 Ų61.639%0.38533%0.325SS..EExtended strand (participates in β ladder)trans-74.1125.2172.9-179.9-178.2175.6175.91.3109.7F294 I295 F296R5-F294 VanDerWaalsContact CZ-CE1 3.43Å; R5-F294 VanDerWaalsContact NH2-CE1 3.33Å; R5-I295 WeakPolarHBondContact CA-O 3.32Å; R5-F296 HydrophobicContact CB-CE1 4.35Å
6C50.1Low56.1Low24 Ų2457.9 Ų57.916%0.16231%0.305CS..EExtended strand (participates in β ladder)trans-106.6129.6164.1-77.30000110.4G8 E43 I295 Y297C6-G8 PolarHBondContact O-N 3.37Å; C6-E43 PolarHBondContact SG-OE1 3.4Å; C6-I295 PolarHBondContact N-O 3.42Å; C6-Y297 HydrophobicContact CB-CE2 4.06Å; C6-Y297 VanDerWaalsContact SG-CE2 3.52Å
7T41.6Very low58Low121 Ų12156.2 Ų56.274%0.74230%0.296SS*.  trans-87.277.517352.10000108.7
8G39.5Very low59.5Low22 Ų2253.6 Ų53.623%0.22728%0.281CS..  trans-74.5165.1157.600000109.3C6 A10C6-G8 PolarHBondContact O-N 3.37Å; G8-A10 PolarHBondContact O-N 3.36Å
9D41.6Very low60.6Low133 Ų13351.7 Ų51.771%0.71127%0.273SS*.  trans-62.954172.3-73.3-38.9000112.6Q11 S45D9-Q11 VanDerWaalsContact C-N 3.33Å; D9-Q11 PolarHBondContact O-N 2.84Å; D9-S45 PolarHBondContact O-OG 3.49Å
10A46.7Very low61.1Low29 Ų2952.4 Ų52.424%0.2427%0.272CS..  trans-79.385.5178.500000108.4G8 L293G8-A10 PolarHBondContact O-N 3.36Å; A10-L293 HydrophobicContact CB-CB 4.08Å; A10-L293 VanDerWaalsContact CB-O 3.24Å; A10-L293 WeakPolarHBondContact CB-O 3.29Å
11Q50.9Low61Low93 Ų9352.5 Ų52.544%0.43527%0.271SS..  trans-66.6165.3169.1-66.3-170.7-18.600111.2D9 S13D9-Q11 VanDerWaalsContact C-N 3.33Å; D9-Q11 PolarHBondContact O-N 2.84Å; Q11-S13 PolarHBondContact O-N 2.92Å
12T52.6Low61Low48 Ų4852.5 Ų52.529%0.29429%0.287SS..  trans-36.7125.1176.854.30000112.9G30 S31 N291T12-G30 WeakPolarHBondContact O-CA 3.26Å; T12-S31 PolarHBondContact OG1-OG 3.09Å; T12-S31 VanDerWaalsContact OG1-OG 3.14Å; T12-N291 CarbonylContact C-O 3.5Å; T12-N291 WeakPolarHBondContact CA-O 3.06Å; T12-N291 HydrophobicContact CG2-CB 3.93Å
13S61.2Low61Low2 Ų248.3 Ų48.31%0.01427%0.273CS..  trans-136.2124.1-176.177.60000109.3Q11 L29 N291Q11-S13 PolarHBondContact O-N 2.92Å; S13-L29 CarbonylContact C-O 3.18Å; S13-L29 WeakPolarHBondContact CA-O 3.47Å; S13-N291 PolarHBondContact N-O 3.47Å; S13-N291 CarbonylContact O-C 3.58Å; S13-N291 WeakPolarHBondContact O-CA 3.31Å; S13-N291 WeakPolarHBondContact O-CB 3.32Å; S13-N291 PolarHBondContact O-OD1 3.31Å; S13-N291 PolarHBondContact OG-O 3.43Å
14I67.7Low61.6Low76 Ų7648 Ų4839%0.3927%0.273SS..SBendtrans-90.9-33.1175.9-64.8167.2000109.8L29 N291I14-L29 PolarHBondContact N-O 3.49Å; I14-N291 WeakPolarHBondContact CG1-OD1 3.47Å
15S84.4Confident63Low3 Ų347.1 Ų47.12%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-149.8148.6178.1175.60000111.4F28 L29 S58 L60S15-F28 WeakPolarHBondContact O-CA 3.42Å; S15-L29 PolarHBondContact O-N 3.15Å; S15-S58 WeakPolarHBondContact CB-O 3.29Å; S15-L60 PolarHBondContact OG-N 3.32Å
16F88.9Confident64.2Low3 Ų342.3 Ų42.31%0.01325%0.251CS..EExtended strand (participates in β ladder)trans-141.9160.3175.765.9-83.6000111.7V26 L27 F28 K274 A276 S285 L293F16-V26 HydrophobicContact CB-CG2 4.32Å; F16-V26 HydrophobicContact CD2-CG2 4.03Å; F16-L27 CarbonylContact C-O 3.44Å; F16-L27 WeakPolarHBondContact CA-O 3.43Å; F16-L27 WeakPolarHBondContact CB-O 3.44Å; F16-F28 HydrophobicContact CB-CB 3.74Å; F16-K274 HydrophobicContact CE1-CB 3.88Å; F16-K274 HydrophobicContact CE1-CD 4.17Å; F16-K274 HydrophobicContact CE1-CG 4.17Å; F16-K274 HydrophobicContact CZ-CB 4.17Å; F16-K274 HydrophobicContact CZ-CD 4.4Å; F16-K274 HydrophobicContact CZ-CG 4.14Å; F16-K274 WeakPolarHBondContact CZ-O 3.16Å; F16-K274 PolarHBondContact O-NZ 3.07Å; F16-A276 HydrophobicContact CD2-CB 4.39Å; F16-A276 HydrophobicContact CE2-CB 3.63Å; F16-A276 HydrophobicContact CZ-CB 4.43Å; F16-S285 WeakPolarHBondContact CD2-OG 3.47Å; F16-S285 WeakPolarHBondContact CE2-OG 3.3Å; F16-L293 HydrophobicContact CB-CD1 4.28Å; F16-L293 HydrophobicContact CD1-CD1 3.73Å; F16-L293 HydrophobicContact CD2-CD1 4.09Å; F16-L293 HydrophobicContact CE1-CD1 4.07Å; F16-L293 HydrophobicContact CE2-CD1 4.37Å; F16-L293 HydrophobicContact CG-CD1 3.75Å; F16-L293 HydrophobicContact CZ-CD1 4.36Å
17D88.5Confident66Low29 Ų2941.7 Ų41.716%0.15525%0.246CC..EExtended strand (participates in β ladder)trans-155.8157.1169.7-161.714.9000111.1L27 K61 C62D17-L27 PolarHBondContact N-O 3.29Å; D17-L27 PolarHBondContact O-N 2.88Å; D17-K61 VanDerWaalsContact OD2-CA 3.3Å; D17-K61 WeakPolarHBondContact OD2-CA 3.3Å; D17-C62 PolarHBondContact OD2-N 3.43Å
18W85.9Confident68.1Low8 Ų836 Ų363%0.0321%0.211CC..EExtended strand (participates in β ladder)trans-87.6132.2-179.7-70.189.8000111.7G24 V26 W38 C62 A276 W277 P279 I283 S285W18-G24 VanDerWaalsContact CE3-O 3.32Å; W18-G24 WeakPolarHBondContact CZ3-O 3.37Å; W18-V26 HydrophobicContact CD2-CB 4.04Å; W18-V26 HydrophobicContact CD2-CG2 4.03Å; W18-V26 HydrophobicContact CE3-CB 3.89Å; W18-V26 HydrophobicContact CE3-CG2 4.4Å; W18-V26 HydrophobicContact CG-CG2 4.35Å; W18-V26 HydrophobicContact CH2-CB 4.13Å; W18-V26 HydrophobicContact CZ2-CB 4.31Å; W18-V26 HydrophobicContact CZ2-CG2 4.36Å; W18-V26 HydrophobicContact CZ3-CB 3.92Å; W18-W38 HydrophobicContact CH2-CZ3 4.18Å; W18-C62 WeakPolarHBondContact O-CB 3.35Å; W18-A276 PolarHBondContact NE1-O 2.72Å; W18-W277 VanDerWaalsContact CD1-C 3.46Å; W18-W277 VanDerWaalsContact NE1-C 3.33Å; W18-W277 PolarHBondContact NE1-O 2.9Å; W18-P279 HydrophobicContact CB-CG 4.39Å; W18-I283 HydrophobicContact CH2-CB 3.94Å; W18-I283 HydrophobicContact CH2-CD1 3.83Å; W18-I283 HydrophobicContact CH2-CG2 3.77Å; W18-I283 HydrophobicContact CZ2-CB 4.07Å; W18-I283 HydrophobicContact CZ2-CG2 3.82Å; W18-I283 HydrophobicContact CZ3-CD1 4.29Å; W18-S285 PolarHBondContact NE1-OG 2.97Å
19S80.1Confident70.1Confident18 Ų1835 Ų3513%0.12620%0.201CC..  trans-67133.5163.8-1790000109.5Q21 E25 P279S19-Q21 VanDerWaalsContact C-N 3.29Å; S19-Q21 PolarHBondContact OG-N 2.95Å; S19-E25 WeakPolarHBondContact CB-O 3.44Å; S19-E25 PolarHBondContact N-O 3.37Å; S19-P279 WeakPolarHBondContact O-CG 3.2Å
20R69.8Low71.6Confident66 Ų6628.9 Ų28.925%0.24917%0.169CC..  trans-91.86.5171.4-58.5-155.3-173.6179.7-5.3113P64 P279 F418R20-P64 VanDerWaalsContact CZ-CB 3.5Å; R20-P279 HydrophobicContact CG-CG 4.18Å; R20-F418 VanDerWaalsContact NH2-CZ 3.29Å
21Q58.7Low72.5Confident55 Ų5530 Ų3026%0.25717%0.174SC..SBendtrans-95146.7171.1-69.3-149.4-4.700111.8S19 T67 D78S19-Q21 VanDerWaalsContact C-N 3.29Å; S19-Q21 PolarHBondContact OG-N 2.95Å; Q21-T67 HydrophobicContact CG-CG2 4.48Å; Q21-T67 VanDerWaalsContact NE2-CG2 3.28Å; Q21-D78 PolarHBondContact NE2-OD1 3.01Å; Q21-D78 PolarHBondContact NE2-OD2 3.28Å; Q21-D78 PolarHBondContact OE1-OD2 3.44Å
22G51.6Low73.4Confident61 Ų6130 Ų3063%0.62918%0.175SC*.THydrogen-bonded Turntrans61.6-137172.400000113.3G24G22-G24 PolarHBondContact O-N 2.95Å; G22-G24 VanDerWaalsContact O-N 3.1Å
23C52.5Low74.6Confident38 Ų3831.6 Ų31.626%0.25718%0.175SC..THydrogen-bonded Turntrans-72.16-172.4-64.30000115.2Q352C23-Q352 PolarHBondContact O-NE2 3.17Å; C23-Q352 PolarHBondContact SG-OE1 2.92Å
24G69.5Low75.5Confident7 Ų734.9 Ų34.97%0.07219%0.187CC..THydrogen-bonded Turntrans68.971.8-170.400000110.5W18 G22 P40W18-G24 VanDerWaalsContact CE3-O 3.32Å; W18-G24 WeakPolarHBondContact CZ3-O 3.37Å; G22-G24 PolarHBondContact O-N 2.95Å; G22-G24 VanDerWaalsContact O-N 3.1Å; G24-P40 WeakPolarHBondContact O-CD 3.47Å; G24-P40 VanDerWaalsContact O-CG 3.26Å; G24-P40 WeakPolarHBondContact O-CG 3.36Å
25E81.4Confident76.4Confident52 Ų5231.3 Ų31.324%0.24317%0.169CC..PPolyproline II helixtrans-84.2149.4176.3-56.5-179.7152.300110.6S19 C37 N39S19-E25 WeakPolarHBondContact CB-O 3.44Å; S19-E25 PolarHBondContact N-O 3.37Å; E25-C37 VanDerWaalsContact CB-SG 3.52Å; E25-C37 PolarHBondContact OE2-SG 3.17Å; E25-N39 HydrophobicContact CG-CB 4.4Å; E25-N39 PolarHBondContact OE1-ND2 3.19Å
26V85.9Confident76.3Confident0 Ų031.9 Ų31.90%017%0.171CC..EExtended strand (participates in β ladder)trans-100126.2173.179.50000109.3F16 W18 F28 C37 W38 L293 I295F16-V26 HydrophobicContact CB-CG2 4.32Å; F16-V26 HydrophobicContact CD2-CG2 4.03Å; W18-V26 HydrophobicContact CD2-CB 4.04Å; W18-V26 HydrophobicContact CD2-CG2 4.03Å; W18-V26 HydrophobicContact CE3-CB 3.89Å; W18-V26 HydrophobicContact CE3-CG2 4.4Å; W18-V26 HydrophobicContact CG-CG2 4.35Å; W18-V26 HydrophobicContact CH2-CB 4.13Å; W18-V26 HydrophobicContact CZ2-CB 4.31Å; W18-V26 HydrophobicContact CZ2-CG2 4.36Å; W18-V26 HydrophobicContact CZ3-CB 3.92Å; V26-F28 HydrophobicContact CG1-CD1 4.41Å; V26-C37 CarbonylContact O-C 3.54Å; V26-C37 WeakPolarHBondContact O-CA 3.4Å; V26-W38 HydrophobicContact CG1-CB 3.75Å; V26-W38 HydrophobicContact CG1-CD2 4.3Å; V26-W38 HydrophobicContact CG1-CE3 3.66Å; V26-W38 HydrophobicContact CG1-CG 4.38Å; V26-W38 PolarHBondContact N-O 3.16Å; V26-W38 PolarHBondContact O-N 3.38Å; V26-L293 HydrophobicContact CG1-CD2 3.83Å; V26-I295 HydrophobicContact CG1-CD1 4.43Å
27L86.9Confident76.1Confident12 Ų1231.8 Ų31.86%0.06317%0.171CC..EExtended strand (participates in β ladder)trans-99135.5175-69.1159.2000107.9F16 D17 Q36 C37 I48 L60 C62 L80F16-L27 CarbonylContact C-O 3.44Å; F16-L27 WeakPolarHBondContact CA-O 3.43Å; F16-L27 WeakPolarHBondContact CB-O 3.44Å; D17-L27 PolarHBondContact N-O 3.29Å; D17-L27 PolarHBondContact O-N 2.88Å; L27-Q36 WeakPolarHBondContact CA-O 3.38Å; L27-C37 HydrophobicContact CD2-CB 3.78Å; L27-I48 HydrophobicContact CD2-CD1 3.24Å; L27-L60 HydrophobicContact CB-CD2 3.91Å; L27-L60 WeakPolarHBondContact O-CD2 3.41Å; L27-C62 WeakPolarHBondContact CD1-SG 3.49Å; L27-L80 HydrophobicContact CD1-CD1 4.28Å; L27-L80 HydrophobicContact CD1-CD2 3.67Å
28F86.4Confident75.8Confident0 Ų030.7 Ų30.70%017%0.165CC..EExtended strand (participates in β ladder)trans-143.4148.2-178.362.5-81.8000111.3S15 F16 V26 Q36 W38 L293S15-F28 WeakPolarHBondContact O-CA 3.42Å; F16-F28 HydrophobicContact CB-CB 3.74Å; V26-F28 HydrophobicContact CG1-CD1 4.41Å; F28-Q36 HydrophobicContact CD1-CB 4.23Å; F28-Q36 HydrophobicContact CD2-CB 4.09Å; F28-Q36 HydrophobicContact CE1-CB 3.71Å; F28-Q36 HydrophobicContact CE2-CB 3.59Å; F28-Q36 HydrophobicContact CE2-CG 4.26Å; F28-Q36 HydrophobicContact CG-CB 4.4Å; F28-Q36 HydrophobicContact CZ-CB 3.38Å; F28-Q36 HydrophobicContact CZ-CG 4.3Å; F28-Q36 PolarHBondContact N-O 3.12Å; F28-Q36 PolarHBondContact O-N 2.99Å; F28-W38 HydrophobicContact CD1-CB 4.46Å; F28-W38 HydrophobicContact CE1-CB 3.76Å; F28-L293 HydrophobicContact CB-CD2 4.31Å; F28-L293 HydrophobicContact CD1-CD2 4.01Å; F28-L293 HydrophobicContact CG-CD2 4.14Å
29L82Confident75.5Confident3 Ų331.1 Ų31.12%0.01617%0.168CC..EExtended strand (participates in β ladder)trans-117.7121.6-179.6-171.6101000109.5S13 I14 S15 R34 L35 M51 W57 L82S13-L29 CarbonylContact C-O 3.18Å; S13-L29 WeakPolarHBondContact CA-O 3.47Å; I14-L29 PolarHBondContact N-O 3.49Å; S15-L29 PolarHBondContact O-N 3.15Å; L29-R34 WeakPolarHBondContact CA-O 3.39Å; L29-L35 HydrophobicContact CD1-CB 4.17Å; L29-L35 HydrophobicContact CD1-CD1 4.34Å; L29-M51 HydrophobicContact CD1-CG 4.41Å; L29-W57 HydrophobicContact CD2-CB 3.6Å; L29-W57 VanDerWaalsContact CD2-O 3.28Å; L29-W57 WeakPolarHBondContact CD2-O 3.48Å; L29-L82 HydrophobicContact CD1-CD1 4.41Å; L29-L82 HydrophobicContact CD1-CD2 4.44Å
30G72.2Confident75.2Confident4 Ų430.5 Ų30.54%0.04116%0.163CC..  trans-87.9168.6-179.700000116.3T12 E32 R33 R34T12-G30 WeakPolarHBondContact O-CA 3.26Å; G30-E32 PolarHBondContact O-N 2.99Å; G30-R33 PolarHBondContact O-N 3.34Å; G30-R34 PolarHBondContact N-O 3.49Å; G30-R34 VanDerWaalsContact N-O 3.11Å
31S66.5Low75.1Confident51 Ų5130 Ų3036%0.35717%0.173SC..THydrogen-bonded Turntrans-58.1-27.6171.658.20000112.7T12 R33T12-S31 PolarHBondContact OG1-OG 3.09Å; T12-S31 VanDerWaalsContact OG1-OG 3.14Å; S31-R33 PolarHBondContact O-N 2.92Å
32E68.5Low75.7Confident95 Ų9536 Ų3644%0.44419%0.193SC..THydrogen-bonded Turntrans-76.26.6174.3-57.2-165.3163.300113.9G30 R34G30-E32 PolarHBondContact O-N 2.99Å; E32-R34 HydrophobicContact CB-CG 4.34Å; E32-R34 PolarHBondContact O-N 3.41Å; E32-R34 IonicContact OE2-CZ 3Å; E32-R34 IonicContact OE2-NE 3.63Å; E32-R34 IonicContact OE2-NH1 2.68Å; E32-R34 PolarHBondContact OE2-NH1 3.23Å; E32-R34 IonicContact OE2-NH2 3.37Å; E32-R34 PolarHBondContact OE2-NH2 3.48Å
33R77.3Confident76.7Confident81 Ų8136.7 Ų36.731%0.30618%0.18SC..  trans59.926.9-179.1-46.6178.5-163.6148.48.4113.1G30 S31 M51 G53G30-R33 PolarHBondContact O-N 3.34Å; S31-R33 PolarHBondContact O-N 2.92Å; R33-M51 HydrophobicContact CB-CB 4.25Å; R33-M51 PolarHBondContact O-N 3.24Å; R33-G53 PolarHBondContact NH1-O 2.93Å
34R81.6Confident77.7Confident70 Ų7040.8 Ų40.826%0.26420%0.196SC..EExtended strand (participates in β ladder)trans-93127.4173-67.7-179.7-179.4149.110.8109L29 G30 E32 Q36 Q47 Q50L29-R34 WeakPolarHBondContact CA-O 3.39Å; G30-R34 PolarHBondContact N-O 3.49Å; G30-R34 VanDerWaalsContact N-O 3.11Å; E32-R34 HydrophobicContact CB-CG 4.34Å; E32-R34 PolarHBondContact O-N 3.41Å; E32-R34 IonicContact OE2-CZ 3Å; E32-R34 IonicContact OE2-NE 3.63Å; E32-R34 IonicContact OE2-NH1 2.68Å; E32-R34 PolarHBondContact OE2-NH1 3.23Å; E32-R34 IonicContact OE2-NH2 3.37Å; E32-R34 PolarHBondContact OE2-NH2 3.48Å; R34-Q36 HydrophobicContact CB-CG 4.28Å; R34-Q47 HydrophobicContact CB-CG 4.47Å; R34-Q50 HydrophobicContact CG-CG 4.26Å
35L85.1Confident78.1Confident1 Ų142.1 Ų42.11%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-86.8117.3166.5-178.667.1000107.5L29 I48 C49 L60 L80L29-L35 HydrophobicContact CD1-CB 4.17Å; L29-L35 HydrophobicContact CD1-CD1 4.34Å; L35-I48 HydrophobicContact CD2-CB 4.35Å; L35-I48 HydrophobicContact CD2-CD1 4.34Å; L35-I48 HydrophobicContact CD2-CG2 4.32Å; L35-I48 HydrophobicContact CG-CB 4.39Å; L35-I48 HydrophobicContact CG-CD1 4.34Å; L35-I48 PolarHBondContact O-N 3.14Å; L35-C49 PolarHBondContact N-O 3.44Å; L35-C49 PolarHBondContact O-N 3.11Å; L35-L60 HydrophobicContact CD1-CD1 4.23Å; L35-L60 HydrophobicContact CD1-CD2 3.97Å; L35-L80 HydrophobicContact CD2-CD1 3.73Å
36Q84Confident78Confident16 Ų1644.4 Ų44.48%0.07521%0.213CC..EExtended strand (participates in β ladder)trans-119.2157.5-178.7-67.6177.4-67.300110.3L27 F28 R34 F46 Q47L27-Q36 WeakPolarHBondContact CA-O 3.38Å; F28-Q36 HydrophobicContact CD1-CB 4.23Å; F28-Q36 HydrophobicContact CD2-CB 4.09Å; F28-Q36 HydrophobicContact CE1-CB 3.71Å; F28-Q36 HydrophobicContact CE2-CB 3.59Å; F28-Q36 HydrophobicContact CE2-CG 4.26Å; F28-Q36 HydrophobicContact CG-CB 4.4Å; F28-Q36 HydrophobicContact CZ-CB 3.38Å; F28-Q36 HydrophobicContact CZ-CG 4.3Å; F28-Q36 PolarHBondContact N-O 3.12Å; F28-Q36 PolarHBondContact O-N 2.99Å; R34-Q36 HydrophobicContact CB-CG 4.28Å; Q36-F46 WeakPolarHBondContact CA-O 3.33Å; Q36-Q47 HydrophobicContact CG-CB 4.38Å
37C84.1Confident77.9Confident0 Ų048.6 Ų48.60%023%0.233CC..EExtended strand (participates in β ladder)trans-123.5133.1174.2-174.40000108.4E25 V26 L27 S45 F46 I48E25-C37 VanDerWaalsContact CB-SG 3.52Å; E25-C37 PolarHBondContact OE2-SG 3.17Å; V26-C37 CarbonylContact O-C 3.54Å; V26-C37 WeakPolarHBondContact O-CA 3.4Å; L27-C37 HydrophobicContact CD2-CB 3.78Å; C37-S45 CarbonylContact O-C 3.5Å; C37-S45 VanDerWaalsContact O-CA 3.23Å; C37-S45 WeakPolarHBondContact O-CA 3.44Å; C37-F46 HydrophobicContact CB-CD1 4.3Å; C37-F46 HydrophobicContact CB-CD2 4.28Å; C37-F46 HydrophobicContact CB-CE1 3.77Å; C37-F46 HydrophobicContact CB-CE2 3.75Å; C37-F46 HydrophobicContact CB-CZ 3.48Å; C37-F46 VanDerWaalsContact CB-CZ 3.48Å; C37-F46 PolarHBondContact N-O 2.88Å; C37-F46 PolarHBondContact O-N 2.74Å; C37-I48 HydrophobicContact CB-CD1 3.98Å; C37-I48 HydrophobicContact CB-CG1 4.26Å
38W82.1Confident77.8Confident6 Ų650.1 Ų50.12%0.02324%0.24CC..EExtended strand (participates in β ladder)trans-112.3126.9168.8173.189.7000109.3W18 V26 F28 P40 E43 I295W18-W38 HydrophobicContact CH2-CZ3 4.18Å; V26-W38 HydrophobicContact CG1-CB 3.75Å; V26-W38 HydrophobicContact CG1-CD2 4.3Å; V26-W38 HydrophobicContact CG1-CE3 3.66Å; V26-W38 HydrophobicContact CG1-CG 4.38Å; V26-W38 PolarHBondContact N-O 3.16Å; V26-W38 PolarHBondContact O-N 3.38Å; F28-W38 HydrophobicContact CD1-CB 4.46Å; F28-W38 HydrophobicContact CE1-CB 3.76Å; W38-P40 HydrophobicContact CE3-CB 4.27Å; W38-P40 HydrophobicContact CH2-CB 3.44Å; W38-P40 VanDerWaalsContact CH2-CB 3.44Å; W38-P40 HydrophobicContact CZ2-CB 4.36Å; W38-P40 HydrophobicContact CZ3-CB 3.42Å; W38-P40 VanDerWaalsContact CZ3-CB 3.42Å; W38-P40 HydrophobicContact CZ3-CG 4.26Å; W38-E43 HydrophobicContact CZ2-CB 4.39Å; W38-E43 HydrophobicContact CZ2-CG 4.3Å; W38-E43 PolarHBondContact NE1-O 3.05Å; W38-I295 HydrophobicContact CD2-CG1 4.29Å; W38-I295 HydrophobicContact CE3-CD1 3.94Å; W38-I295 HydrophobicContact CE3-CG1 4.04Å; W38-I295 HydrophobicContact CH2-CB 4.09Å; W38-I295 HydrophobicContact CH2-CD1 4.33Å; W38-I295 HydrophobicContact CH2-CG1 3.8Å; W38-I295 HydrophobicContact CH2-CG2 3.38Å; W38-I295 HydrophobicContact CZ2-CB 4.47Å; W38-I295 HydrophobicContact CZ2-CG1 4.07Å; W38-I295 HydrophobicContact CZ2-CG2 4.11Å; W38-I295 HydrophobicContact CZ3-CB 4.4Å; W38-I295 HydrophobicContact CZ3-CD1 3.78Å; W38-I295 HydrophobicContact CZ3-CG1 3.75Å; W38-I295 HydrophobicContact CZ3-CG2 3.79Å
39N78.9Confident77.8Confident18 Ų1851.1 Ų51.110%0.09625%0.247CC..EExtended strand (participates in β ladder)trans-101.5118-177.9-174.6-44000109.4E25 A41 R42 E43 E44E25-N39 HydrophobicContact CG-CB 4.4Å; E25-N39 PolarHBondContact OE1-ND2 3.19Å; N39-A41 PolarHBondContact O-N 3.25Å; N39-A41 WeakPolarHBondContact OD1-CB 3.44Å; N39-A41 PolarHBondContact OD1-N 3.34Å; N39-R42 PolarHBondContact O-N 3.35Å; N39-E43 WeakPolarHBondContact O-CA 3.48Å; N39-E43 PolarHBondContact O-N 3.4Å; N39-E44 PolarHBondContact N-O 3.39Å
40P74.2Confident78Confident5 Ų556.3 Ų56.33%0.03227%0.272CS..THydrogen-bonded Turntrans-71.5-14.9-176.330.1-37.6000114.7G24 W38 I283 Y297G24-P40 WeakPolarHBondContact O-CD 3.47Å; G24-P40 VanDerWaalsContact O-CG 3.26Å; G24-P40 WeakPolarHBondContact O-CG 3.36Å; W38-P40 HydrophobicContact CE3-CB 4.27Å; W38-P40 HydrophobicContact CH2-CB 3.44Å; W38-P40 VanDerWaalsContact CH2-CB 3.44Å; W38-P40 HydrophobicContact CZ2-CB 4.36Å; W38-P40 HydrophobicContact CZ3-CB 3.42Å; W38-P40 VanDerWaalsContact CZ3-CB 3.42Å; W38-P40 HydrophobicContact CZ3-CG 4.26Å; P40-I283 HydrophobicContact CB-CD1 3.62Å; P40-I283 HydrophobicContact CG-CD1 4.13Å; P40-Y297 PolarHBondContact O-OH 3.11Å
41A68.3Low78.5Confident55 Ų5557 Ų5746%0.45527%0.274SS..THydrogen-bonded Turntrans-77-31.3177.100000112.1N39 Q352N39-A41 PolarHBondContact O-N 3.25Å; N39-A41 WeakPolarHBondContact OD1-CB 3.44Å; N39-A41 PolarHBondContact OD1-N 3.34Å; A41-Q352 VanDerWaalsContact CB-OE1 3.28Å
42R69.9Low79Confident180 Ų18063.6 Ų63.668%0.67930%0.299SS*.THydrogen-bonded Turntrans-105.8-16.1-178.2-62.4-175.5-177.6-179.51.1112.9N39 E44N39-R42 PolarHBondContact O-N 3.35Å; R42-E44 HydrophobicContact CB-CB 4.2Å; R42-E44 HydrophobicContact CB-CG 4.29Å; R42-E44 PolarHBondContact O-N 3.25Å; R42-E44 VanDerWaalsContact O-N 3.15Å
43E73.3Confident79.5Confident77 Ų7761.4 Ų61.436%0.3630%0.302SS..THydrogen-bonded Turntrans57.219.7-170.9-53.5-164.7143.900113.9C6 W38 N39 Y297C6-E43 PolarHBondContact SG-OE1 3.4Å; W38-E43 HydrophobicContact CZ2-CB 4.39Å; W38-E43 HydrophobicContact CZ2-CG 4.3Å; W38-E43 PolarHBondContact NE1-O 3.05Å; N39-E43 WeakPolarHBondContact O-CA 3.48Å; N39-E43 PolarHBondContact O-N 3.4Å; E43-Y297 PolarHBondContact OE1-OH 2.85Å
44E73.4Confident79.6Confident124 Ų12465.6 Ų65.658%0.57933%0.325SS*.EExtended strand (participates in β ladder)trans-102.8149-179.4-72.3174170.800111.2N39 R42N39-E44 PolarHBondContact N-O 3.39Å; R42-E44 HydrophobicContact CB-CB 4.2Å; R42-E44 HydrophobicContact CB-CG 4.29Å; R42-E44 PolarHBondContact O-N 3.25Å; R42-E44 VanDerWaalsContact O-N 3.15Å
45S77.5Confident79.7Confident35 Ų3563.6 Ų63.625%0.24532%0.32CS..EExtended strand (participates in β ladder)trans-108.3145.4171780000111.2D9 C37D9-S45 PolarHBondContact O-OG 3.49Å; C37-S45 CarbonylContact O-C 3.5Å; C37-S45 VanDerWaalsContact O-CA 3.23Å; C37-S45 WeakPolarHBondContact O-CA 3.44Å
46F79.5Confident79.6Confident100 Ų10068.5 Ų68.544%0.43934%0.342SS..EExtended strand (participates in β ladder)trans-138149.5171.662.2-88.2000110.8Q36 C37 I48Q36-F46 WeakPolarHBondContact CA-O 3.33Å; C37-F46 HydrophobicContact CB-CD1 4.3Å; C37-F46 HydrophobicContact CB-CD2 4.28Å; C37-F46 HydrophobicContact CB-CE1 3.77Å; C37-F46 HydrophobicContact CB-CE2 3.75Å; C37-F46 HydrophobicContact CB-CZ 3.48Å; C37-F46 VanDerWaalsContact CB-CZ 3.48Å; C37-F46 PolarHBondContact N-O 2.88Å; C37-F46 PolarHBondContact O-N 2.74Å; F46-I48 HydrophobicContact CD2-CG1 4.43Å; F46-I48 HydrophobicContact CE2-CG1 4.06Å
47Q83.9Confident79.7Confident88 Ų8868.4 Ų68.441%0.41134%0.341SS..EExtended strand (participates in β ladder)trans-83.6131.1176.9-175.9-179.5-27.300110.3R34 Q36R34-Q47 HydrophobicContact CB-CG 4.47Å; Q36-Q47 HydrophobicContact CG-CB 4.38Å
48I84.5Confident79.7Confident43 Ų4370.7 Ų70.722%0.22136%0.357CS..EExtended strand (participates in β ladder)trans-86.9-55.5174-63.4175.2000109.6L27 L35 C37 F46 S94L27-I48 HydrophobicContact CD2-CD1 3.24Å; L35-I48 HydrophobicContact CD2-CB 4.35Å; L35-I48 HydrophobicContact CD2-CD1 4.34Å; L35-I48 HydrophobicContact CD2-CG2 4.32Å; L35-I48 HydrophobicContact CG-CB 4.39Å; L35-I48 HydrophobicContact CG-CD1 4.34Å; L35-I48 PolarHBondContact O-N 3.14Å; C37-I48 HydrophobicContact CB-CD1 3.98Å; C37-I48 HydrophobicContact CB-CG1 4.26Å; F46-I48 HydrophobicContact CD2-CG1 4.43Å; F46-I48 HydrophobicContact CE2-CG1 4.06Å; I48-S94 WeakPolarHBondContact CG2-O 3.37Å
49C86.8Confident80Confident22 Ų2271.3 Ų71.315%0.14936%0.361CS..EExtended strand (participates in β ladder)trans-154167.4179.368.40000111.5L35 G96L35-C49 PolarHBondContact N-O 3.44Å; L35-C49 PolarHBondContact O-N 3.11Å; C49-G96 VanDerWaalsContact SG-CA 3.57Å
50Q86.2Confident80.6Confident112 Ų11270.5 Ų70.552%0.52336%0.356SS..EExtended strand (participates in β ladder)trans-114.2129168.7-172.21678.900108.4R34R34-Q50 HydrophobicContact CG-CG 4.26Å
51M82.2Confident81.4Confident17 Ų1772.4 Ų72.48%0.08436%0.364CS..  trans-80.4128.7-179.2-62-64-67.400109.9L29 R33 W57 L82 L92 V98L29-M51 HydrophobicContact CD1-CG 4.41Å; R33-M51 HydrophobicContact CB-CB 4.25Å; R33-M51 PolarHBondContact O-N 3.24Å; M51-W57 HydrophobicContact CE-CZ2 4.35Å; M51-L82 HydrophobicContact CE-CD1 3.86Å; M51-L82 HydrophobicContact CG-CD1 4.45Å; M51-L82 HydrophobicContact SD-CD1 4.23Å; M51-L92 HydrophobicContact CE-CD1 3.91Å; M51-L92 HydrophobicContact CE-CD2 4.47Å; M51-L92 HydrophobicContact SD-CD1 4.07Å; M51-L92 HydrophobicContact SD-CD2 4.02Å; M51-V98 HydrophobicContact CE-CG2 4.25Å
52E78.5Confident82.3Confident190 Ų19070.2 Ų70.289%0.88835%0.346SS*.  trans-88.3153.1176.1-62.4-174.917200111.6
53G78.7Confident83Confident49 Ų4962.2 Ų62.251%0.50532%0.317SS..SBendtrans97.8176.6179.300000114.6R33R33-G53 PolarHBondContact NH1-O 2.93Å
54E79.1Confident82.9Confident170 Ų17059.1 Ų59.179%0.79430%0.303SS*.SBendtrans-93-5.6-175-64.1-172.6164.400114.6F56E54-F56 PolarHBondContact O-N 3.35Å
55T83.5Confident82.5Confident27 Ų2756.9 Ų56.917%0.16629%0.292CS..  trans-67.9130.2-179.1-60.40000111.3W57 D86T55-W57 HydrophobicContact CG2-CD2 4.29Å; T55-W57 HydrophobicContact CG2-CE3 4.45Å; T55-W57 HydrophobicContact CG2-CH2 4.06Å; T55-W57 HydrophobicContact CG2-CZ2 3.91Å; T55-W57 HydrophobicContact CG2-CZ3 4.35Å; T55-D86 WeakPolarHBondContact CG2-OD1 3.3Å; T55-D86 PolarHBondContact OG1-OD2 3.31Å
56F83.4Confident81.2Confident104 Ų10457.5 Ų57.546%0.45629%0.289SS..  trans-90120.3173.2-70.7-85.5000110.1E54 S84 D85E54-F56 PolarHBondContact O-N 3.35Å; F56-S84 WeakPolarHBondContact O-CA 3.48Å; F56-S84 WeakPolarHBondContact O-CB 3.27Å; F56-D85 PolarHBondContact O-N 3.05Å
57W86.2Confident79.6Confident14 Ų1455.8 Ų55.85%0.05329%0.287CS..EExtended strand (participates in β ladder)trans-91.3110.6176.7-54.4101000108.7L29 M51 T55 L82 A83 K88 C90L29-W57 HydrophobicContact CD2-CB 3.6Å; L29-W57 VanDerWaalsContact CD2-O 3.28Å; L29-W57 WeakPolarHBondContact CD2-O 3.48Å; M51-W57 HydrophobicContact CE-CZ2 4.35Å; T55-W57 HydrophobicContact CG2-CD2 4.29Å; T55-W57 HydrophobicContact CG2-CE3 4.45Å; T55-W57 HydrophobicContact CG2-CH2 4.06Å; T55-W57 HydrophobicContact CG2-CZ2 3.91Å; T55-W57 HydrophobicContact CG2-CZ3 4.35Å; W57-L82 HydrophobicContact CB-CB 4.32Å; W57-L82 HydrophobicContact CB-CD1 4.25Å; W57-L82 HydrophobicContact CB-CD2 4.47Å; W57-L82 HydrophobicContact CD2-CB 3.92Å; W57-L82 HydrophobicContact CD2-CD1 4.05Å; W57-L82 HydrophobicContact CE3-CB 3.57Å; W57-L82 HydrophobicContact CG-CB 4.25Å; W57-L82 HydrophobicContact CG-CD1 3.89Å; W57-L82 HydrophobicContact CZ3-CB 4.25Å; W57-A83 CarbonylContact C-O 3.55Å; W57-A83 WeakPolarHBondContact CA-O 3.04Å; W57-K88 HydrophobicContact CH2-CB 4.4Å; W57-K88 HydrophobicContact CZ3-CB 4.37Å; W57-C90 HydrophobicContact CE3-CB 4.24Å; W57-C90 HydrophobicContact CH2-CB 3.35Å; W57-C90 HydrophobicContact CZ2-CB 3.97Å; W57-C90 HydrophobicContact CZ3-CB 3.5Å
58S83.8Confident77.5Confident49 Ų4954.6 Ų54.634%0.34329%0.285SS..EExtended strand (participates in β ladder)trans-91.5-19.9-175.155.40000113.2S15 A83S15-S58 WeakPolarHBondContact CB-O 3.29Å; S58-A83 PolarHBondContact N-O 3.07Å; S58-A83 PolarHBondContact OG-O 3.1Å
59L88.7Confident75.3Confident19 Ų1955.6 Ų55.610%0.09930%0.296CS..EExtended strand (participates in β ladder)trans-137.8134-174.6-176.1129000111.5K61 L82 A83 A112L59-K61 HydrophobicContact CD2-CG 3.69Å; L59-K61 HydrophobicContact CG-CG 4.41Å; L59-L82 CarbonylContact O-C 3.53Å; L59-L82 VanDerWaalsContact O-CA 3.24Å; L59-L82 WeakPolarHBondContact O-CA 3.39Å; L59-A83 HydrophobicContact CB-CB 4.01Å; L59-A83 HydrophobicContact CD2-CB 4.04Å; L59-A83 PolarHBondContact N-O 2.91Å; L59-A83 PolarHBondContact O-N 3.28Å; L59-A112 HydrophobicContact CD2-CB 3.63Å
60L90.8Very high73Confident0 Ų066.1 Ų66.10%033%0.333CS..EExtended strand (participates in β ladder)trans-119.7133.8173.9172.568.6000109.2S15 L27 L35 L80 L81 L82S15-L60 PolarHBondContact OG-N 3.32Å; L27-L60 HydrophobicContact CB-CD2 3.91Å; L27-L60 WeakPolarHBondContact O-CD2 3.41Å; L35-L60 HydrophobicContact CD1-CD1 4.23Å; L35-L60 HydrophobicContact CD1-CD2 3.97Å; L60-L80 HydrophobicContact CD1-CB 4.38Å; L60-L81 CarbonylContact C-O 3.41Å; L60-L81 WeakPolarHBondContact CA-O 3.47Å; L60-L82 HydrophobicContact CB-CD2 3.88Å; L60-L82 HydrophobicContact CD1-CD2 3.48Å; L60-L82 VanDerWaalsContact CD1-CD2 3.48Å; L60-L82 HydrophobicContact CD1-CG 4.43Å; L60-L82 HydrophobicContact CG-CD2 4.25Å
61K91Very high70.5Confident45 Ų4564.2 Ų64.220%0.19633%0.332CS..EExtended strand (participates in β ladder)trans-138.7131.1173.6-68.8-69-179.61690112.3D17 L59 L81 A112 W114D17-K61 VanDerWaalsContact OD2-CA 3.3Å; D17-K61 WeakPolarHBondContact OD2-CA 3.3Å; L59-K61 HydrophobicContact CD2-CG 3.69Å; L59-K61 HydrophobicContact CG-CG 4.41Å; K61-L81 HydrophobicContact CB-CB 4.36Å; K61-L81 PolarHBondContact N-O 3.49Å; K61-L81 PolarHBondContact O-N 3.49Å; K61-A112 VanDerWaalsContact CE-O 3.23Å; K61-A112 WeakPolarHBondContact CE-O 3.42Å; K61-A112 WeakPolarHBondContact CG-O 3.3Å; K61-W114 PolarHBondContact O-NE1 2.61Å
62C88.4Confident68Low10 Ų1070.1 Ų70.17%0.06837%0.369CS..EExtended strand (participates in β ladder)trans-90.1138.7176.6-62.50000110.3D17 W18 L27 P64 L80D17-C62 PolarHBondContact OD2-N 3.43Å; W18-C62 WeakPolarHBondContact O-CB 3.35Å; L27-C62 WeakPolarHBondContact CD1-SG 3.49Å; C62-P64 WeakPolarHBondContact O-CD 3.38Å; C62-L80 HydrophobicContact CB-CD2 4.2Å; C62-L80 VanDerWaalsContact SG-CD2 3.59Å
63C83.6Confident65.4Low11 Ų1166.4 Ų66.47%0.07436%0.36CS..  trans-63.7125.5171.61520000110.2K65 T79 W114 C118C63-K65 PolarHBondContact O-N 3.03Å; C63-T79 VanDerWaalsContact CB-O 3.24Å; C63-T79 WeakPolarHBondContact CB-O 3.39Å; C63-T79 PolarHBondContact N-O 3.02Å; C63-W114 HydrophobicContact CB-CD2 4.31Å; C63-C118 VanDerWaalsContact CA-SG 3.54Å; C63-C118 HydrophobicContact CB-CB 3.93Å; C63-C118 WeakPolarHBondContact CB-SG 3.25Å; C63-C118 WeakPolarHBondContact SG-CB 3.36Å; C63-C118 CovalentContact SG-SG 2.03Å; C63-C118 PolarHBondContact SG-SG 2.92Å
64P71.1Confident63.1Low12 Ų1268.5 Ų68.58%0.07837%0.372CS..  trans-7426.7-173.629.1-38.5000116.1R20 C62 W66 W114 C118R20-P64 VanDerWaalsContact CZ-CB 3.5Å; C62-P64 WeakPolarHBondContact O-CD 3.38Å; P64-W66 PolarHBondContact O-N 3.42Å; P64-W114 VanDerWaalsContact CD-CB 3.45Å; P64-W114 HydrophobicContact CG-CB 4.12Å; P64-C118 WeakPolarHBondContact CD-SG 3.45Å
65K64.7Low60.8Low77 Ų7769.8 Ų69.834%0.33538%0.378SS..  trans-76.4121.6-173.1-153.5172.9-174.2-177.90111.9C63 T67 V76C63-K65 PolarHBondContact O-N 3.03Å; K65-T67 PolarHBondContact O-N 3.21Å; K65-V76 HydrophobicContact CD-CG1 4.25Å; K65-V76 VanDerWaalsContact NZ-CG2 3.3Å
66W51.7Low58.8Low48 Ų4871.6 Ų71.618%0.18239%0.389CS..  trans-80.3104.5172.7-73.245000109P64 T68 N389P64-W66 PolarHBondContact O-N 3.42Å; W66-T68 PolarHBondContact O-N 3.29Å; W66-N389 HydrophobicContact CE3-CB 4.29Å; W66-N389 WeakPolarHBondContact CH2-O 3.45Å; W66-N389 HydrophobicContact CZ3-CB 3.65Å; W66-N389 WeakPolarHBondContact CZ3-O 3.36Å
67T44.4Very low57.3Low64 Ų6469.4 Ų69.439%0.39339%0.387SS..  trans-78.8106.6170.145.80000109Q21 K65 S69Q21-T67 HydrophobicContact CG-CG2 4.48Å; Q21-T67 VanDerWaalsContact NE2-CG2 3.28Å; K65-T67 PolarHBondContact O-N 3.21Å; T67-S69 PolarHBondContact O-N 3.03Å
68T41.1Very low56.4Low63 Ų6370.4 Ų70.439%0.38739%0.393SS..  trans-81.59.7-179.848.40000113.6W66W66-T68 PolarHBondContact O-N 3.29Å
69S37.5Very low56.3Low64 Ų6468.1 Ų68.145%0.44838%0.377SS..  trans-156.2129.3-1731760000111.1T67 S71T67-S69 PolarHBondContact O-N 3.03Å; S69-S71 PolarHBondContact O-N 3.38Å; S69-S71 VanDerWaalsContact O-N 3.17Å; S69-S71 WeakPolarHBondContact OG-CB 3.15Å; S69-S71 PolarHBondContact OG-N 2.94Å; S69-S71 PolarHBondContact OG-OG 3.43Å
70R38.9Very low56.3Low243 Ų24367.6 Ų67.692%0.91737%0.374SS*.  trans-69.610.9162.4-90.5-177173.9168.2-0.6112.9T72R70-T72 PolarHBondContact O-N 3.1Å
71S33.4Very low56.4Low72 Ų7267.6 Ų67.650%0.50337%0.374SS..  trans-67.1123.8-177.764.60000111.5S69 T73S69-S71 PolarHBondContact O-N 3.38Å; S69-S71 VanDerWaalsContact O-N 3.17Å; S69-S71 WeakPolarHBondContact OG-CB 3.15Å; S69-S71 PolarHBondContact OG-N 2.94Å; S69-S71 PolarHBondContact OG-OG 3.43Å; S71-T73 PolarHBondContact O-N 3.41Å
72T28.8Very low56.5Low142 Ų14265.5 Ų65.587%0.87137%0.365SS*.SBendtrans-68.315.5-176.141.70000115.6R70R70-T72 PolarHBondContact O-N 3.1Å
73T25.2Very low56.7Low112 Ų11265 Ų6569%0.68736%0.362SS*.  trans-143.392.1-171.856.10000111.9S71S71-T73 PolarHBondContact O-N 3.41Å
74A29.3Very low57.1Low92 Ų9264.5 Ų64.576%0.7636%0.358SS*.  trans14775.7150.400000112.9V76A74-V76 PolarHBondContact O-N 3.35Å; A74-V76 VanDerWaalsContact O-N 3.07Å
75E31.8Very low58Low197 Ų19767.6 Ų67.692%0.92137%0.374SS*.  29.160.1129.6-56.8-174.2168.300120.2
76V41.8Very low59.3Low65 Ų6567.1 Ų67.139%0.39438%0.375SS..  trans-122.1100.2141.9-177.70000106.8K65 A74K65-V76 HydrophobicContact CD-CG1 4.25Å; K65-V76 VanDerWaalsContact NZ-CG2 3.3Å; A74-V76 PolarHBondContact O-N 3.35Å; A74-V76 VanDerWaalsContact O-N 3.07Å
77S50.9Low61.3Low59 Ų5964.9 Ų64.941%0.41337%0.367SS..  trans-53.1140174.552.50000109.4T79 E99 R135S77-T79 PolarHBondContact O-N 3Å; S77-T79 VanDerWaalsContact O-N 3.12Å; S77-E99 PolarHBondContact OG-OE1 3.3Å; S77-R135 PolarHBondContact O-NH2 3.12Å
78D66.6Low63.7Low35 Ų3564.7 Ų64.719%0.18736%0.361CS..  trans-66.4112.6169.3-70.7-53.7000108.5Q21 S93 S94Q21-D78 PolarHBondContact NE2-OD1 3.01Å; Q21-D78 PolarHBondContact NE2-OD2 3.28Å; Q21-D78 PolarHBondContact OE1-OD2 3.44Å; D78-S93 CarbonylContact O-C 3.29Å; D78-S93 VanDerWaalsContact O-C 3.29Å; D78-S93 VanDerWaalsContact O-CA 3.26Å; D78-S93 WeakPolarHBondContact O-CA 3.45Å; D78-S94 PolarHBondContact O-N 3.27Å
79T82.5Confident66.3Low1 Ų161.7 Ų61.71%0.00634%0.342CS..EExtended strand (participates in β ladder)trans-98.6120.6177.4-53.40000108.9C63 S77 Y91 L92 E99 W114 R135C63-T79 VanDerWaalsContact CB-O 3.24Å; C63-T79 WeakPolarHBondContact CB-O 3.39Å; C63-T79 PolarHBondContact N-O 3.02Å; S77-T79 PolarHBondContact O-N 3Å; S77-T79 VanDerWaalsContact O-N 3.12Å; T79-Y91 HydrophobicContact CG2-CD1 3.76Å; T79-Y91 HydrophobicContact CG2-CG 4.36Å; T79-L92 CarbonylContact C-O 3.59Å; T79-L92 WeakPolarHBondContact CA-O 3.32Å; T79-E99 PolarHBondContact OG1-OE2 2.96Å; T79-W114 HydrophobicContact CG2-CH2 4.12Å; T79-W114 HydrophobicContact CG2-CZ2 4.14Å; T79-R135 PolarHBondContact OG1-NE 2.99Å; T79-R135 PolarHBondContact OG1-NH2 3.15Å
80L89.3Confident69Low8 Ų858.6 Ų58.64%0.04232%0.321CS..EExtended strand (participates in β ladder)trans-89.1147.7166.5-55.8177000108.7L27 L35 L60 C62 Y91 L92L27-L80 HydrophobicContact CD1-CD1 4.28Å; L27-L80 HydrophobicContact CD1-CD2 3.67Å; L35-L80 HydrophobicContact CD2-CD1 3.73Å; L60-L80 HydrophobicContact CD1-CB 4.38Å; C62-L80 HydrophobicContact CB-CD2 4.2Å; C62-L80 VanDerWaalsContact SG-CD2 3.59Å; L80-Y91 WeakPolarHBondContact O-CA 3.44Å; L80-L92 HydrophobicContact CB-CB 4.12Å; L80-L92 PolarHBondContact N-O 3.17Å; L80-L92 PolarHBondContact O-N 3.03Å
81L92.3Very high71.5Confident0 Ų047.1 Ų47.10%028%0.278CS..EExtended strand (participates in β ladder)trans-115.8125.9174.1-177.574.5000108.8L60 K61 L89 C90 Y91 A112 W114 V121L60-L81 CarbonylContact C-O 3.41Å; L60-L81 WeakPolarHBondContact CA-O 3.47Å; K61-L81 HydrophobicContact CB-CB 4.36Å; K61-L81 PolarHBondContact N-O 3.49Å; K61-L81 PolarHBondContact O-N 3.49Å; L81-L89 HydrophobicContact CD1-CB 4.23Å; L81-L89 HydrophobicContact CD1-CD2 4.24Å; L81-L89 HydrophobicContact CG-CD2 4.49Å; L81-C90 WeakPolarHBondContact CA-O 3.31Å; L81-Y91 HydrophobicContact CD1-CD1 4.07Å; L81-Y91 HydrophobicContact CD1-CD2 4.36Å; L81-Y91 HydrophobicContact CD1-CE1 3.83Å; L81-Y91 HydrophobicContact CD1-CE2 4.12Å; L81-Y91 HydrophobicContact CD1-CG 4.34Å; L81-A112 HydrophobicContact CD2-CB 3.74Å; L81-W114 HydrophobicContact CB-CZ2 3.9Å; L81-V121 HydrophobicContact CD2-CG1 3.42Å; L81-V121 VanDerWaalsContact CD2-CG1 3.42Å; L81-V121 HydrophobicContact CD2-CG2 4.27Å
82L92.6Very high74.2Confident0 Ų043.7 Ų43.70%025%0.254CS..EExtended strand (participates in β ladder)trans-107.6143.3165.4-64.4179.1000109.9L29 M51 W57 L59 L60 L89 C90 L92L29-L82 HydrophobicContact CD1-CD1 4.41Å; L29-L82 HydrophobicContact CD1-CD2 4.44Å; M51-L82 HydrophobicContact CE-CD1 3.86Å; M51-L82 HydrophobicContact CG-CD1 4.45Å; M51-L82 HydrophobicContact SD-CD1 4.23Å; W57-L82 HydrophobicContact CB-CB 4.32Å; W57-L82 HydrophobicContact CB-CD1 4.25Å; W57-L82 HydrophobicContact CB-CD2 4.47Å; W57-L82 HydrophobicContact CD2-CB 3.92Å; W57-L82 HydrophobicContact CD2-CD1 4.05Å; W57-L82 HydrophobicContact CE3-CB 3.57Å; W57-L82 HydrophobicContact CG-CB 4.25Å; W57-L82 HydrophobicContact CG-CD1 3.89Å; W57-L82 HydrophobicContact CZ3-CB 4.25Å; L59-L82 CarbonylContact O-C 3.53Å; L59-L82 VanDerWaalsContact O-CA 3.24Å; L59-L82 WeakPolarHBondContact O-CA 3.39Å; L60-L82 HydrophobicContact CB-CD2 3.88Å; L60-L82 HydrophobicContact CD1-CD2 3.48Å; L60-L82 VanDerWaalsContact CD1-CD2 3.48Å; L60-L82 HydrophobicContact CD1-CG 4.43Å; L60-L82 HydrophobicContact CG-CD2 4.25Å; L82-L89 CarbonylContact O-C 3.59Å; L82-L89 WeakPolarHBondContact O-CA 3.09Å; L82-C90 HydrophobicContact CB-CB 4.19Å; L82-C90 PolarHBondContact N-O 3.15Å; L82-C90 PolarHBondContact O-N 3.31Å; L82-L92 HydrophobicContact CB-CD1 4.45Å; L82-L92 HydrophobicContact CD1-CD1 3.25Å; L82-L92 HydrophobicContact CG-CD1 3.66Å
83A93.1Very high76.9Confident0 Ų037.7 Ų37.70%022%0.217CC..EExtended strand (participates in β ladder)trans-124.5146.1171.100000110W57 S58 L59 K88 L89 V109W57-A83 CarbonylContact C-O 3.55Å; W57-A83 WeakPolarHBondContact CA-O 3.04Å; S58-A83 PolarHBondContact N-O 3.07Å; S58-A83 PolarHBondContact OG-O 3.1Å; L59-A83 HydrophobicContact CB-CB 4.01Å; L59-A83 HydrophobicContact CD2-CB 4.04Å; L59-A83 PolarHBondContact N-O 2.91Å; L59-A83 PolarHBondContact O-N 3.28Å; A83-K88 WeakPolarHBondContact CA-O 3.29Å; A83-L89 HydrophobicContact CB-CD2 3.63Å; A83-V109 HydrophobicContact CB-CB 3.71Å; A83-V109 HydrophobicContact CB-CG1 3.74Å; A83-V109 HydrophobicContact CB-CG2 4.37Å
84S92.4Very high79.4Confident0 Ų034.8 Ų34.80%020%0.202CC..EExtended strand (participates in β ladder)trans-116.2164.2-174.5600000113.9F56 D86 G87 K88 V109F56-S84 WeakPolarHBondContact O-CA 3.48Å; F56-S84 WeakPolarHBondContact O-CB 3.27Å; S84-D86 VanDerWaalsContact C-N 3.29Å; S84-D86 VanDerWaalsContact CB-OD1 3.26Å; S84-D86 WeakPolarHBondContact CB-OD1 3.38Å; S84-D86 PolarHBondContact OG-OD1 3.04Å; S84-G87 PolarHBondContact O-N 2.98Å; S84-K88 PolarHBondContact N-O 3.42Å; S84-K88 WeakPolarHBondContact OG-CA 3.22Å; S84-K88 VanDerWaalsContact OG-CB 3.32Å; S84-K88 WeakPolarHBondContact OG-CB 3.33Å; S84-K88 PolarHBondContact OG-N 3.48Å; S84-K88 PolarHBondContact OG-O 3.48Å; S84-V109 PolarHBondContact O-N 2.95Å
85D89.8Confident81.9Confident77 Ų7736 Ų3641%0.41220%0.2SC..THydrogen-bonded Turntrans-68.5-23.4171.663.2-15.3000113.7F56 G87 A108F56-D85 PolarHBondContact O-N 3.05Å; D85-G87 VanDerWaalsContact C-N 3.32Å; D85-A108 HydrophobicContact CB-CB 4.47Å; D85-A108 WeakPolarHBondContact O-CA 3.4Å; D85-A108 WeakPolarHBondContact O-CB 3.26Å; D85-A108 PolarHBondContact O-N 3.22Å
86D91.4Very high84.2Confident67 Ų6727.3 Ų27.336%0.35816%0.162SC..THydrogen-bonded Turntrans-88.98.7175.473.4-4.5000114.3T55 S84 K88T55-D86 WeakPolarHBondContact CG2-OD1 3.3Å; T55-D86 PolarHBondContact OG1-OD2 3.31Å; S84-D86 VanDerWaalsContact C-N 3.29Å; S84-D86 VanDerWaalsContact CB-OD1 3.26Å; S84-D86 WeakPolarHBondContact CB-OD1 3.38Å; S84-D86 PolarHBondContact OG-OD1 3.04Å; D86-K88 WeakPolarHBondContact OD1-CD 2.87Å; D86-K88 WeakPolarHBondContact OD1-CG 3.5Å; D86-K88 VanDerWaalsContact OD2-CE 3.27Å; D86-K88 WeakPolarHBondContact OD2-CE 3.44Å; D86-K88 IonicContact OD2-NZ 2.86Å; D86-K88 PolarHBondContact OD2-NZ 3.28Å
87G94.1Very high86.4Confident1 Ų131.6 Ų31.61%0.0118%0.176CC..SBendtrans86.515.5172.800000115.4S84 D85 A104 H105 G107S84-G87 PolarHBondContact O-N 2.98Å; D85-G87 VanDerWaalsContact C-N 3.32Å; G87-A104 PolarHBondContact O-N 3.39Å; G87-H105 PolarHBondContact O-N 3.41Å; G87-G107 WeakPolarHBondContact CA-O 3.39Å; G87-G107 PolarHBondContact N-O 3.43Å
88K95.4Very high88.3Confident60 Ų6031.9 Ų31.926%0.26118%0.175SC..EExtended strand (participates in β ladder)trans-95.4152.3178.3-60.7169.1-176.2149.20112.1W57 A83 S84 D86 I101 I102W57-K88 HydrophobicContact CH2-CB 4.4Å; W57-K88 HydrophobicContact CZ3-CB 4.37Å; A83-K88 WeakPolarHBondContact CA-O 3.29Å; S84-K88 PolarHBondContact N-O 3.42Å; S84-K88 WeakPolarHBondContact OG-CA 3.22Å; S84-K88 VanDerWaalsContact OG-CB 3.32Å; S84-K88 WeakPolarHBondContact OG-CB 3.33Å; S84-K88 PolarHBondContact OG-N 3.48Å; S84-K88 PolarHBondContact OG-O 3.48Å; D86-K88 WeakPolarHBondContact OD1-CD 2.87Å; D86-K88 WeakPolarHBondContact OD1-CG 3.5Å; D86-K88 VanDerWaalsContact OD2-CE 3.27Å; D86-K88 WeakPolarHBondContact OD2-CE 3.44Å; D86-K88 IonicContact OD2-NZ 2.86Å; D86-K88 PolarHBondContact OD2-NZ 3.28Å; K88-I101 HydrophobicContact CB-CG2 4.19Å; K88-I101 HydrophobicContact CD-CG2 4.14Å; K88-I101 HydrophobicContact CG-CG2 4.45Å; K88-I102 CarbonylContact C-O 3.59Å; K88-I102 WeakPolarHBondContact CA-O 3.06Å
89L94.9Very high89.4Confident0 Ų034.7 Ų34.70%019%0.187CC..EExtended strand (participates in β ladder)trans-115.2135.5165.4-62.8167.5000109L81 L82 A83 I101 I102 A104 V109 T123 W133L81-L89 HydrophobicContact CD1-CB 4.23Å; L81-L89 HydrophobicContact CD1-CD2 4.24Å; L81-L89 HydrophobicContact CG-CD2 4.49Å; L82-L89 CarbonylContact O-C 3.59Å; L82-L89 WeakPolarHBondContact O-CA 3.09Å; A83-L89 HydrophobicContact CB-CD2 3.63Å; L89-I101 CarbonylContact O-C 3.55Å; L89-I101 VanDerWaalsContact O-CA 3.29Å; L89-I101 WeakPolarHBondContact O-CA 3.48Å; L89-I102 HydrophobicContact CB-CD1 4.18Å; L89-I102 HydrophobicContact CB-CG1 3.72Å; L89-I102 HydrophobicContact CD1-CD1 4.02Å; L89-I102 HydrophobicContact CD1-CG1 4.34Å; L89-I102 HydrophobicContact CG-CG1 4.5Å; L89-I102 PolarHBondContact N-O 2.92Å; L89-I102 PolarHBondContact O-N 3.3Å; L89-A104 HydrophobicContact CD1-CB 3.46Å; L89-A104 VanDerWaalsContact CD1-CB 3.46Å; L89-A104 HydrophobicContact CG-CB 3.63Å; L89-V109 HydrophobicContact CD2-CG1 4.17Å; L89-V109 HydrophobicContact CD2-CG2 4.38Å; L89-T123 HydrophobicContact CD1-CG2 3.67Å; L89-T123 HydrophobicContact CD2-CG2 4.01Å; L89-T123 HydrophobicContact CG-CG2 4.45Å; L89-W133 HydrophobicContact CD1-CD2 4.46Å; L89-W133 HydrophobicContact CD1-CG 4.45Å
90C93.5Very high89.8Confident0 Ų038.9 Ų38.90%021%0.205CC..EExtended strand (participates in β ladder)trans-119.9123.6175.3177.80000110W57 L81 L82 K100 I101W57-C90 HydrophobicContact CE3-CB 4.24Å; W57-C90 HydrophobicContact CH2-CB 3.35Å; W57-C90 HydrophobicContact CZ2-CB 3.97Å; W57-C90 HydrophobicContact CZ3-CB 3.5Å; L81-C90 WeakPolarHBondContact CA-O 3.31Å; L82-C90 HydrophobicContact CB-CB 4.19Å; L82-C90 PolarHBondContact N-O 3.15Å; L82-C90 PolarHBondContact O-N 3.31Å; C90-K100 CarbonylContact C-O 3.58Å; C90-K100 VanDerWaalsContact CA-O 3.31Å; C90-K100 WeakPolarHBondContact CA-O 3.33Å; C90-I101 HydrophobicContact CB-CG1 4.1Å
91Y92.2Very high90Very high2 Ų242.8 Ų42.81%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-93.8125172-66.1-96.6000108.1T79 L80 L81 E99 K100 I102 W114 V121T79-Y91 HydrophobicContact CG2-CD1 3.76Å; T79-Y91 HydrophobicContact CG2-CG 4.36Å; L80-Y91 WeakPolarHBondContact O-CA 3.44Å; L81-Y91 HydrophobicContact CD1-CD1 4.07Å; L81-Y91 HydrophobicContact CD1-CD2 4.36Å; L81-Y91 HydrophobicContact CD1-CE1 3.83Å; L81-Y91 HydrophobicContact CD1-CE2 4.12Å; L81-Y91 HydrophobicContact CD1-CG 4.34Å; Y91-E99 PolarHBondContact O-N 3.19Å; Y91-K100 HydrophobicContact CD2-CB 4.35Å; Y91-K100 PolarHBondContact N-O 3.31Å; Y91-K100 PolarHBondContact O-N 3.05Å; Y91-I102 HydrophobicContact CE2-CD1 3.93Å; Y91-I102 HydrophobicContact CE2-CG1 4.39Å; Y91-W114 AromaticContact CD1-CH2 3.82Å; Y91-W114 HydrophobicContact CD1-CH2 3.82Å; Y91-W114 HydrophobicContact CD1-CZ2 4.11Å; Y91-W114 AromaticContact CE1-CH2 3.55Å; Y91-W114 HydrophobicContact CE1-CH2 3.55Å; Y91-W114 HydrophobicContact CE1-CZ2 4.01Å; Y91-W114 HydrophobicContact CE1-CZ3 4.38Å; Y91-V121 HydrophobicContact CE1-CG2 4.11Å
92L89.8Confident90.1Very high0 Ų043.9 Ų43.90%023%0.231CC..EExtended strand (participates in β ladder)trans-123.3146-177.1-88.1135.9000110M51 T79 L80 L82 G96 K97 V98M51-L92 HydrophobicContact CE-CD1 3.91Å; M51-L92 HydrophobicContact CE-CD2 4.47Å; M51-L92 HydrophobicContact SD-CD1 4.07Å; M51-L92 HydrophobicContact SD-CD2 4.02Å; T79-L92 CarbonylContact C-O 3.59Å; T79-L92 WeakPolarHBondContact CA-O 3.32Å; L80-L92 HydrophobicContact CB-CB 4.12Å; L80-L92 PolarHBondContact N-O 3.17Å; L80-L92 PolarHBondContact O-N 3.03Å; L82-L92 HydrophobicContact CB-CD1 4.45Å; L82-L92 HydrophobicContact CD1-CD1 3.25Å; L82-L92 HydrophobicContact CG-CD1 3.66Å; L92-G96 VanDerWaalsContact CD2-C 3.47Å; L92-G96 VanDerWaalsContact CD2-O 3.26Å; L92-G96 WeakPolarHBondContact CD2-O 3.27Å; L92-K97 CarbonylContact C-O 3.55Å; L92-K97 WeakPolarHBondContact CA-O 3.2Å; L92-V98 HydrophobicContact CD2-CG2 3.89Å; L92-V98 HydrophobicContact CG-CG2 4.28Å
93S86.1Confident90.2Very high15 Ų1548.7 Ų48.711%0.10526%0.264CS..EExtended strand (participates in β ladder)trans-75.5164.4165.976.20000111.4D78 V95 G96 K97D78-S93 CarbonylContact O-C 3.29Å; D78-S93 VanDerWaalsContact O-C 3.29Å; D78-S93 VanDerWaalsContact O-CA 3.26Å; D78-S93 WeakPolarHBondContact O-CA 3.45Å; S93-V95 PolarHBondContact O-N 2.96Å; S93-V95 VanDerWaalsContact O-N 3.11Å; S93-V95 PolarHBondContact OG-N 2.92Å; S93-G96 WeakPolarHBondContact O-CA 3.4Å; S93-G96 PolarHBondContact O-N 2.93Å; S93-K97 PolarHBondContact N-O 2.71Å; S93-K97 WeakPolarHBondContact OG-CB 3.22Å; S93-K97 PolarHBondContact OG-N 3.47Å
94S77.5Confident90.4Very high52 Ų5248.9 Ų48.936%0.36427%0.266SS..THydrogen-bonded Turntrans-58.8-20.917344.20000114.4I48 D78 G96I48-S94 WeakPolarHBondContact CG2-O 3.37Å; D78-S94 PolarHBondContact O-N 3.27Å; S94-G96 VanDerWaalsContact C-N 3.26Å
95V81.2Confident90.6Very high118 Ų11849.4 Ų49.472%0.71527%0.268SS*.THydrogen-bonded Turntrans-89.35.6176-156.30000111.3S93S93-V95 PolarHBondContact O-N 2.96Å; S93-V95 VanDerWaalsContact O-N 3.11Å; S93-V95 PolarHBondContact OG-N 2.92Å
96G81.7Confident90.8Very high13 Ų1353.9 Ų53.913%0.13429%0.286CS..  trans79.715.9177.500000114.8C49 L92 S93 S94C49-G96 VanDerWaalsContact SG-CA 3.57Å; L92-G96 VanDerWaalsContact CD2-C 3.47Å; L92-G96 VanDerWaalsContact CD2-O 3.26Å; L92-G96 WeakPolarHBondContact CD2-O 3.27Å; S93-G96 WeakPolarHBondContact O-CA 3.4Å; S93-G96 PolarHBondContact O-N 2.93Å; S94-G96 VanDerWaalsContact C-N 3.26Å
97K87.6Confident91Very high156 Ų15652.2 Ų52.268%0.67829%0.285SS*.  trans-81.3123.7174-176.6-177.6176.5-177.50109.7L92 S93 E99L92-K97 CarbonylContact C-O 3.55Å; L92-K97 WeakPolarHBondContact CA-O 3.2Å; S93-K97 PolarHBondContact N-O 2.71Å; S93-K97 WeakPolarHBondContact OG-CB 3.22Å; S93-K97 PolarHBondContact OG-N 3.47Å; K97-E99 PolarHBondContact O-N 3.48Å
98V89.8Confident91Very high65 Ų6552.5 Ų52.539%0.39429%0.288SS..EExtended strand (participates in β ladder)trans-65.8117.2173178.10000109.4M51 L92 I101M51-V98 HydrophobicContact CE-CG2 4.25Å; L92-V98 HydrophobicContact CD2-CG2 3.89Å; L92-V98 HydrophobicContact CG-CG2 4.28Å; V98-I101 HydrophobicContact CG1-CD1 4.15Å; V98-I101 HydrophobicContact CG1-CG1 3.87Å
99E90.1Very high91Very high93 Ų9349.7 Ų49.744%0.43528%0.275SS..EExtended strand (participates in β ladder)trans-86.1-42.2174.6-63.6-175.2159.700110.5S77 T79 Y91 K97S77-E99 PolarHBondContact OG-OE1 3.3Å; T79-E99 PolarHBondContact OG1-OE2 2.96Å; Y91-E99 PolarHBondContact O-N 3.19Å; K97-E99 PolarHBondContact O-N 3.48Å
100K90.2Very high91Very high89 Ų8952 Ų5239%0.38729%0.288SS..EExtended strand (participates in β ladder)trans-161.2149.7-177.7-151.7175.1-155.5-1750112.9C90 Y91 I102 N136C90-K100 CarbonylContact C-O 3.58Å; C90-K100 VanDerWaalsContact CA-O 3.31Å; C90-K100 WeakPolarHBondContact CA-O 3.33Å; Y91-K100 HydrophobicContact CD2-CB 4.35Å; Y91-K100 PolarHBondContact N-O 3.31Å; Y91-K100 PolarHBondContact O-N 3.05Å; K100-I102 HydrophobicContact CD-CG2 4.13Å; K100-I102 HydrophobicContact CG-CG2 4.28Å; K100-N136 PolarHBondContact NZ-O 3.38Å
101I93.7Very high91.1Very high90 Ų9052 Ų5246%0.46229%0.288SS..EExtended strand (participates in β ladder)trans-125.2133.2167.2-57.2175.4000108.3K88 L89 C90 V98K88-I101 HydrophobicContact CB-CG2 4.19Å; K88-I101 HydrophobicContact CD-CG2 4.14Å; K88-I101 HydrophobicContact CG-CG2 4.45Å; L89-I101 CarbonylContact O-C 3.55Å; L89-I101 VanDerWaalsContact O-CA 3.29Å; L89-I101 WeakPolarHBondContact O-CA 3.48Å; C90-I101 HydrophobicContact CB-CG1 4.1Å; V98-I101 HydrophobicContact CG1-CD1 4.15Å; V98-I101 HydrophobicContact CG1-CG1 3.87Å
102I95.4Very high91.2Very high24 Ų2452 Ų5212%0.12329%0.288CS..EExtended strand (participates in β ladder)trans-131.6143.4178.458.1175.1000110.7K88 L89 Y91 K100 A104 W133K88-I102 CarbonylContact C-O 3.59Å; K88-I102 WeakPolarHBondContact CA-O 3.06Å; L89-I102 HydrophobicContact CB-CD1 4.18Å; L89-I102 HydrophobicContact CB-CG1 3.72Å; L89-I102 HydrophobicContact CD1-CD1 4.02Å; L89-I102 HydrophobicContact CD1-CG1 4.34Å; L89-I102 HydrophobicContact CG-CG1 4.5Å; L89-I102 PolarHBondContact N-O 2.92Å; L89-I102 PolarHBondContact O-N 3.3Å; Y91-I102 HydrophobicContact CE2-CD1 3.93Å; Y91-I102 HydrophobicContact CE2-CG1 4.39Å; K100-I102 HydrophobicContact CD-CG2 4.13Å; K100-I102 HydrophobicContact CG-CG2 4.28Å; I102-A104 PolarHBondContact O-N 2.85Å; I102-W133 HydrophobicContact CD1-CD2 4.16Å; I102-W133 HydrophobicContact CD1-CE3 3.69Å; I102-W133 HydrophobicContact CD1-CZ3 3.99Å
103S95.4Very high91.4Very high101 Ų10152.7 Ų52.771%0.70629%0.293SS*.EExtended strand (participates in β ladder)trans-82.7108169-64.50000109.1
104A95.3Very high91.5Very high3 Ų352.5 Ų52.53%0.02529%0.291CS..  trans-99.3-41.2-169.600000113.2G87 L89 I102 K131 W133G87-A104 PolarHBondContact O-N 3.39Å; L89-A104 HydrophobicContact CD1-CB 3.46Å; L89-A104 VanDerWaalsContact CD1-CB 3.46Å; L89-A104 HydrophobicContact CG-CB 3.63Å; I102-A104 PolarHBondContact O-N 2.85Å; A104-K131 PolarHBondContact O-NZ 3.27Å; A104-W133 HydrophobicContact CB-CH2 3.95Å; A104-W133 HydrophobicContact CB-CZ2 3.48Å; A104-W133 VanDerWaalsContact CB-CZ2 3.48Å
105H96.8Very high91.9Very high12 Ų1250.2 Ų50.26%0.05628%0.275CS..SBendtrans-131.9161.4-174.9-73.1-90.4000111.6G87 V109 T123 D127 H129G87-H105 PolarHBondContact O-N 3.41Å; H105-V109 HydrophobicContact CB-CG2 4.27Å; H105-T123 PolarHBondContact NE2-OG1 3.11Å; H105-D127 WeakPolarHBondContact CA-OD2 3.32Å; H105-D127 WeakPolarHBondContact CB-OD2 3.39Å; H105-D127 IonicContact CE1-OD1 2.83Å; H105-D127 IonicContact CG-OD1 2.71Å; H105-D127 IonicContact CG-OD2 3.73Å; H105-D127 IonicContact ND1-OD1 3.82Å; H105-D127 PolarHBondContact ND1-OD1 3.09Å; H105-D127 IonicContact ND1-OD2 3.63Å; H105-D127 PolarHBondContact ND1-OD2 3.19Å; H105-D127 VanDerWaalsContact ND1-OD2 3.13Å; H105-H129 PolarHBondContact CE1-O 2.97Å; H105-H129 VanDerWaalsContact CE1-O 3.29Å
106Q95.6Very high91.7Very high170 Ų17045.1 Ų45.179%0.79424%0.244SC*.SBendtrans-93.1105.1168-67.3-175.6-1.600108.5D127Q106-D127 HydrophobicContact CB-CB 4.34Å; Q106-D127 PolarHBondContact N-OD2 3.05Å; Q106-D127 WeakPolarHBondContact O-CB 3.32Å
107G94.1Very high91.3Very high32 Ų3245.9 Ų45.933%0.3325%0.246SC..SBendtrans91.8-172.1-167.400000111.8G87G87-G107 WeakPolarHBondContact CA-O 3.39Å; G87-G107 PolarHBondContact N-O 3.43Å
108A94.3Very high91Very high8 Ų838.5 Ų38.57%0.06621%0.214CC..  trans-65.1143-167.200000113.1D85 L110 G125 E126D85-A108 HydrophobicContact CB-CB 4.47Å; D85-A108 WeakPolarHBondContact O-CA 3.4Å; D85-A108 WeakPolarHBondContact O-CB 3.26Å; D85-A108 PolarHBondContact O-N 3.22Å; A108-L110 HydrophobicContact CB-CD2 4.09Å; A108-L110 PolarHBondContact O-N 2.68Å; A108-G125 VanDerWaalsContact O-CA 3.32Å; A108-G125 WeakPolarHBondContact O-CA 3.35Å; A108-E126 HydrophobicContact CB-CG 3.9Å; A108-E126 PolarHBondContact N-OE2 3.24Å; A108-E126 PolarHBondContact O-N 3.19Å
109V96.3Very high90.8Very high0 Ų037.3 Ų37.30%021%0.208CC..EExtended strand (participates in β ladder)trans-83.4110.7163-171.80000107.6A83 S84 L89 H105A83-V109 HydrophobicContact CB-CB 3.71Å; A83-V109 HydrophobicContact CB-CG1 3.74Å; A83-V109 HydrophobicContact CB-CG2 4.37Å; S84-V109 PolarHBondContact O-N 2.95Å; L89-V109 HydrophobicContact CD2-CG1 4.17Å; L89-V109 HydrophobicContact CD2-CG2 4.38Å; H105-V109 HydrophobicContact CB-CG2 4.27Å
110L94.8Very high90.8Very high49 Ų4933.5 Ų33.526%0.25719%0.192SC..EExtended strand (participates in β ladder)trans-86.9-33.8-174.2-63.4179.8000112.3A108 G124 E126 P149 V150 Y151A108-L110 HydrophobicContact CB-CD2 4.09Å; A108-L110 PolarHBondContact O-N 2.68Å; L110-G124 PolarHBondContact N-O 2.8Å; L110-E126 HydrophobicContact CD1-CG 3.79Å; L110-E126 HydrophobicContact CD2-CG 3.87Å; L110-E126 HydrophobicContact CG-CG 3.84Å; L110-P149 HydrophobicContact CD1-CB 3.73Å; L110-V150 VanDerWaalsContact CB-O 3.3Å; L110-V150 WeakPolarHBondContact CB-O 3.33Å; L110-Y151 HydrophobicContact CD1-CD1 4.2Å; L110-Y151 HydrophobicContact CD1-CE1 4.45Å
111C94.9Very high90.9Very high1 Ų129.2 Ų29.21%0.00717%0.173CC..EExtended strand (participates in β ladder)trans-145.8147.3-177.659.20000112.1T123 G124 V150 L153C111-T123 WeakPolarHBondContact O-CA 3.3Å; C111-G124 PolarHBondContact N-O 3.45Å; C111-G124 PolarHBondContact O-N 3.5Å; C111-V150 PolarHBondContact SG-O 3.46Å; C111-L153 HydrophobicContact CB-CD2 4.38Å; C111-L153 HydrophobicContact CB-CG 4.17Å; C111-L153 WeakPolarHBondContact SG-CD2 3.43Å
112A95.3Very high91Very high2 Ų225 Ų252%0.01715%0.151CC..EExtended strand (participates in β ladder)trans-147149.817100000111.3L59 K61 L81 V121 A122 T123L59-A112 HydrophobicContact CD2-CB 3.63Å; K61-A112 VanDerWaalsContact CE-O 3.23Å; K61-A112 WeakPolarHBondContact CE-O 3.42Å; K61-A112 WeakPolarHBondContact CG-O 3.3Å; L81-A112 HydrophobicContact CD2-CB 3.74Å; A112-V121 HydrophobicContact CB-CG1 4.4Å; A112-A122 CarbonylContact C-O 3.57Å; A112-A122 WeakPolarHBondContact CA-O 3.31Å; A112-T123 HydrophobicContact CB-CG2 3.89Å
113A92.9Very high91.1Very high13 Ų1323.8 Ų23.811%0.10715%0.145CC..EExtended strand (participates in β ladder)trans-145.3132.3173.100000111.2A122 L153 W155A113-A122 PolarHBondContact N-O 3.36Å; A113-A122 PolarHBondContact O-N 2.95Å; A113-L153 HydrophobicContact CB-CD1 3.44Å; A113-L153 VanDerWaalsContact CB-CD1 3.44Å; A113-W155 PolarHBondContact O-NE1 3.21Å
114W89.6Confident91.2Very high12 Ų1219 Ų195%0.04511%0.112CC..EExtended strand (participates in β ladder)trans-69.1140.6167.7-71.9100.1000110.5K61 C63 P64 T79 L81 Y91 C118 V121 R135 W155K61-W114 PolarHBondContact O-NE1 2.61Å; C63-W114 HydrophobicContact CB-CD2 4.31Å; P64-W114 VanDerWaalsContact CD-CB 3.45Å; P64-W114 HydrophobicContact CG-CB 4.12Å; T79-W114 HydrophobicContact CG2-CH2 4.12Å; T79-W114 HydrophobicContact CG2-CZ2 4.14Å; L81-W114 HydrophobicContact CB-CZ2 3.9Å; Y91-W114 AromaticContact CD1-CH2 3.82Å; Y91-W114 HydrophobicContact CD1-CH2 3.82Å; Y91-W114 HydrophobicContact CD1-CZ2 4.11Å; Y91-W114 AromaticContact CE1-CH2 3.55Å; Y91-W114 HydrophobicContact CE1-CH2 3.55Å; Y91-W114 HydrophobicContact CE1-CZ2 4.01Å; Y91-W114 HydrophobicContact CE1-CZ3 4.38Å; W114-C118 HydrophobicContact CE3-CB 3.98Å; W114-C118 HydrophobicContact CZ3-CB 4.28Å; W114-V121 HydrophobicContact CD2-CG2 3.6Å; W114-V121 HydrophobicContact CE3-CG2 3.33Å; W114-V121 HydrophobicContact CG-CG2 4.41Å; W114-V121 HydrophobicContact CH2-CG2 3.73Å; W114-V121 HydrophobicContact CZ2-CG2 3.96Å; W114-V121 HydrophobicContact CZ3-CG2 3.4Å; W114-V121 VanDerWaalsContact CZ3-CG2 3.4Å; W114-R135 HydrophobicContact CH2-CG 4.19Å; W114-R135 HydrophobicContact CZ3-CB 4.34Å; W114-R135 HydrophobicContact CZ3-CG 4.1Å; W114-W155 PolarHBondContact O-NE1 3Å
115S86Confident91.3Very high4 Ų418.9 Ų18.93%0.02811%0.11CC..  trans-65.3157.716056.90000109.5D117 C118 S120S115-D117 VanDerWaalsContact CB-OD1 3.27Å; S115-D117 WeakPolarHBondContact CB-OD1 3.41Å; S115-D117 PolarHBondContact O-N 2.69Å; S115-D117 VanDerWaalsContact O-N 3.17Å; S115-D117 PolarHBondContact OG-OD1 2.64Å; S115-C118 WeakPolarHBondContact O-CA 3.34Å; S115-C118 PolarHBondContact O-N 2.8Å; S115-S120 PolarHBondContact N-O 3.3Å; S115-S120 PolarHBondContact OG-N 2.87Å; S115-S120 PolarHBondContact OG-O 2.82Å; S115-S120 VanDerWaalsContact OG-O 3.05Å
116A75.5Confident91.3Very high10 Ų1023.1 Ų23.18%0.08313%0.13CC..THydrogen-bonded Turntrans-66.7-23.3-17100000114.5C118 P413 S414 A415 V416A116-C118 PolarHBondContact O-N 2.91Å; A116-P413 CarbonylContact C-O 3.35Å; A116-S414 WeakPolarHBondContact CB-O 3.26Å; A116-S414 PolarHBondContact N-O 3.08Å; A116-A415 VanDerWaalsContact CB-O 3.22Å; A116-A415 WeakPolarHBondContact CB-O 3.3Å; A116-V416 HydrophobicContact CB-CB 3.97Å; A116-V416 HydrophobicContact CB-CG2 3.31Å
117D74Confident91.3Very high30 Ų3016.8 Ų16.816%0.1610%0.102CC..THydrogen-bonded Turntrans-78.1-10.4175.246.29.2000112S115 S119 P413 S414S115-D117 VanDerWaalsContact CB-OD1 3.27Å; S115-D117 WeakPolarHBondContact CB-OD1 3.41Å; S115-D117 PolarHBondContact O-N 2.69Å; S115-D117 VanDerWaalsContact O-N 3.17Å; S115-D117 PolarHBondContact OG-OD1 2.64Å; D117-S119 PolarHBondContact O-N 3.03Å; D117-S119 PolarHBondContact OD1-N 2.92Å; D117-S119 PolarHBondContact OD1-OG 2.83Å; D117-S119 VanDerWaalsContact OD1-OG 3.09Å; D117-S119 WeakPolarHBondContact OD2-CB 3.45Å; D117-S119 PolarHBondContact OD2-OG 2.82Å; D117-P413 VanDerWaalsContact CA-C 3.44Å; D117-P413 WeakPolarHBondContact CA-O 3.33Å; D117-P413 HydrophobicContact CB-CB 3.39Å; D117-P413 HydrophobicContact CB-CG 3.61Å; D117-P413 WeakPolarHBondContact CB-O 3.45Å; D117-P413 PolarHBondContact N-O 3.43Å; D117-S414 VanDerWaalsContact CG-CA 3.45Å; D117-S414 WeakPolarHBondContact OD2-CB 3.36Å
118C81.6Confident91.4Very high1 Ų115.2 Ų15.21%0.0079%0.086CC..SBendtrans53.526-163.3-49.40000113.9C63 P64 W114 S115 A116 R135C63-C118 VanDerWaalsContact CA-SG 3.54Å; C63-C118 HydrophobicContact CB-CB 3.93Å; C63-C118 WeakPolarHBondContact CB-SG 3.25Å; C63-C118 WeakPolarHBondContact SG-CB 3.36Å; C63-C118 CovalentContact SG-SG 2.03Å; C63-C118 PolarHBondContact SG-SG 2.92Å; P64-C118 WeakPolarHBondContact CD-SG 3.45Å; W114-C118 HydrophobicContact CE3-CB 3.98Å; W114-C118 HydrophobicContact CZ3-CB 4.28Å; S115-C118 WeakPolarHBondContact O-CA 3.34Å; S115-C118 PolarHBondContact O-N 2.8Å; A116-C118 PolarHBondContact O-N 2.91Å; C118-R135 WeakPolarHBondContact O-CD 3.4Å
119S85Confident91.6Very high40 Ų4017.2 Ų17.228%0.289%0.094SC..SBendtrans-81.7-25.2175.779.50000112D117 R135D117-S119 PolarHBondContact O-N 3.03Å; D117-S119 PolarHBondContact OD1-N 2.92Å; D117-S119 PolarHBondContact OD1-OG 2.83Å; D117-S119 VanDerWaalsContact OD1-OG 3.09Å; D117-S119 WeakPolarHBondContact OD2-CB 3.45Å; D117-S119 PolarHBondContact OD2-OG 2.82Å; S119-R135 PolarHBondContact O-N 2.99Å
120S89.7Confident91.7Very high12 Ų1217.2 Ų17.28%0.0849%0.094CC..EExtended strand (participates in β ladder)trans-137.5156.4-174.1-50.60000112.2S115 W133 R140S115-S120 PolarHBondContact N-O 3.3Å; S115-S120 PolarHBondContact OG-N 2.87Å; S115-S120 PolarHBondContact OG-O 2.82Å; S115-S120 VanDerWaalsContact OG-O 3.05Å; S120-W133 CarbonylContact C-O 3.58Å; S120-W133 WeakPolarHBondContact CA-O 3.32Å; S120-W133 WeakPolarHBondContact CB-O 3.32Å; S120-R140 PolarHBondContact OG-NH1 3.16Å
121V93.7Very high91.8Very high0 Ų016.2 Ų16.20%09%0.087CC..EExtended strand (participates in β ladder)trans-127.2125.9174.5176.30000107.8L81 Y91 A112 W114 T123 I132 W133L81-V121 HydrophobicContact CD2-CG1 3.42Å; L81-V121 VanDerWaalsContact CD2-CG1 3.42Å; L81-V121 HydrophobicContact CD2-CG2 4.27Å; Y91-V121 HydrophobicContact CE1-CG2 4.11Å; A112-V121 HydrophobicContact CB-CG1 4.4Å; W114-V121 HydrophobicContact CD2-CG2 3.6Å; W114-V121 HydrophobicContact CE3-CG2 3.33Å; W114-V121 HydrophobicContact CG-CG2 4.41Å; W114-V121 HydrophobicContact CH2-CG2 3.73Å; W114-V121 HydrophobicContact CZ2-CG2 3.96Å; W114-V121 HydrophobicContact CZ3-CG2 3.4Å; W114-V121 VanDerWaalsContact CZ3-CG2 3.4Å; V121-T123 HydrophobicContact CG1-CG2 3.82Å; V121-I132 CarbonylContact O-C 3.51Å; V121-I132 WeakPolarHBondContact O-CA 3.5Å; V121-W133 HydrophobicContact CB-CB 4.45Å; V121-W133 PolarHBondContact N-O 3.13Å; V121-W133 PolarHBondContact O-N 3.29Å
122A95.8Very high91.9Very high0 Ų016.4 Ų16.40%09%0.088CC..EExtended strand (participates in β ladder)trans-91.4139.7166.500000109.8A112 A113 K131 L153 W155 L162A112-A122 CarbonylContact C-O 3.57Å; A112-A122 WeakPolarHBondContact CA-O 3.31Å; A113-A122 PolarHBondContact N-O 3.36Å; A113-A122 PolarHBondContact O-N 2.95Å; A122-K131 CarbonylContact C-O 3.57Å; A122-K131 VanDerWaalsContact CA-O 3.3Å; A122-K131 WeakPolarHBondContact CA-O 3.36Å; A122-L153 HydrophobicContact CB-CD1 3.7Å; A122-L153 HydrophobicContact CB-CD2 4.36Å; A122-W155 HydrophobicContact CB-CZ2 3.72Å; A122-L162 HydrophobicContact CB-CD1 3.5Å; A122-L162 VanDerWaalsContact CB-CD1 3.5Å; A122-L162 HydrophobicContact CB-CD2 4.16Å; A122-L162 HydrophobicContact CB-CG 4.48Å
123T97.6Very high91.9Very high0 Ų017 Ų170%09%0.09CC..EExtended strand (participates in β ladder)trans-134.4146176.863.10000111.8L89 H105 C111 A112 V121 V130 K131 W133 L153L89-T123 HydrophobicContact CD1-CG2 3.67Å; L89-T123 HydrophobicContact CD2-CG2 4.01Å; L89-T123 HydrophobicContact CG-CG2 4.45Å; H105-T123 PolarHBondContact NE2-OG1 3.11Å; C111-T123 WeakPolarHBondContact O-CA 3.3Å; A112-T123 HydrophobicContact CB-CG2 3.89Å; V121-T123 HydrophobicContact CG1-CG2 3.82Å; T123-V130 CarbonylContact O-C 3.55Å; T123-V130 WeakPolarHBondContact O-CA 3.33Å; T123-K131 PolarHBondContact N-O 3.31Å; T123-K131 PolarHBondContact O-N 2.89Å; T123-W133 PolarHBondContact OG1-NE1 3.07Å; T123-L153 VanDerWaalsContact C-CD2 3.42Å
124G97.2Very high91.8Very high0 Ų016.9 Ų16.90%09%0.088CC..EExtended strand (participates in β ladder)trans-125.3138.9173.400000109.8L110 C111 H129 L153L110-G124 PolarHBondContact N-O 2.8Å; C111-G124 PolarHBondContact N-O 3.45Å; C111-G124 PolarHBondContact O-N 3.5Å; G124-H129 WeakPolarHBondContact CA-O 3.39Å; G124-L153 VanDerWaalsContact N-CD2 3.34Å
125G96.5Very high91.7Very high0 Ų018.6 Ų18.60%010%0.095CC..EExtended strand (participates in β ladder)trans-123.3170-176.300000114A108 D127 G128 H129 V150A108-G125 VanDerWaalsContact O-CA 3.32Å; A108-G125 WeakPolarHBondContact O-CA 3.35Å; G125-D127 PolarHBondContact O-N 3.38Å; G125-G128 PolarHBondContact O-N 3.4Å; G125-G128 VanDerWaalsContact O-N 3.08Å; G125-H129 PolarHBondContact N-O 3.37Å; G125-V150 PolarHBondContact O-N 2.95Å
126E96.2Very high91.8Very high101 Ų10123.9 Ų23.947%0.47212%0.123SC..THydrogen-bonded Turntrans-60.7-27.7167.9-72.9179.916100112.5A108 L110 G128A108-E126 HydrophobicContact CB-CG 3.9Å; A108-E126 PolarHBondContact N-OE2 3.24Å; A108-E126 PolarHBondContact O-N 3.19Å; L110-E126 HydrophobicContact CD1-CG 3.79Å; L110-E126 HydrophobicContact CD2-CG 3.87Å; L110-E126 HydrophobicContact CG-CG 3.84Å; E126-G128 PolarHBondContact O-N 3.33Å; E126-G128 VanDerWaalsContact O-N 3.15Å
127D96.8Very high92.4Very high37 Ų3723.8 Ų23.820%0.19812%0.123CC..THydrogen-bonded Turntrans-66.7-4.1172.661.111000114H105 Q106 G125 H129 K131H105-D127 WeakPolarHBondContact CA-OD2 3.32Å; H105-D127 WeakPolarHBondContact CB-OD2 3.39Å; H105-D127 IonicContact CE1-OD1 2.83Å; H105-D127 IonicContact CG-OD1 2.71Å; H105-D127 IonicContact CG-OD2 3.73Å; H105-D127 IonicContact ND1-OD1 3.82Å; H105-D127 PolarHBondContact ND1-OD1 3.09Å; H105-D127 IonicContact ND1-OD2 3.63Å; H105-D127 PolarHBondContact ND1-OD2 3.19Å; H105-D127 VanDerWaalsContact ND1-OD2 3.13Å; Q106-D127 HydrophobicContact CB-CB 4.34Å; Q106-D127 PolarHBondContact N-OD2 3.05Å; Q106-D127 WeakPolarHBondContact O-CB 3.32Å; G125-D127 PolarHBondContact O-N 3.38Å; D127-H129 PolarHBondContact O-CD2 2.83Å; D127-H129 PolarHBondContact O-N 3.37Å; D127-H129 WeakPolarHBondContact OD1-CB 3.42Å; D127-H129 IonicContact OD1-CD2 3.98Å; D127-H129 IonicContact OD1-CG 3.38Å; D127-H129 PolarHBondContact OD1-N 2.95Å; D127-H129 IonicContact OD2-CD2 2.85Å; D127-K131 IonicContact OD2-NZ 3.35Å
128G96.6Very high93.4Very high0 Ų027.7 Ų27.70%014%0.143CC..  trans73.96179.500000114.1G125 E126 V146 R148G125-G128 PolarHBondContact O-N 3.4Å; G125-G128 VanDerWaalsContact O-N 3.08Å; E126-G128 PolarHBondContact O-N 3.33Å; E126-G128 VanDerWaalsContact O-N 3.15Å; G128-V146 WeakPolarHBondContact CA-O 3.14Å; G128-V146 WeakPolarHBondContact O-CG2 3.03Å; G128-V146 PolarHBondContact O-N 3.13Å; G128-R148 WeakPolarHBondContact CA-O 3.43Å
129H97.9Very high94.1Very high49 Ų4931.7 Ų31.723%0.22716%0.164CC..EExtended strand (participates in β ladder)trans-80.7141.6174.5-73.9-101.4000111.1H105 G124 G125 D127 K131 I145H105-H129 PolarHBondContact CE1-O 2.97Å; H105-H129 VanDerWaalsContact CE1-O 3.29Å; G124-H129 WeakPolarHBondContact CA-O 3.39Å; G125-H129 PolarHBondContact N-O 3.37Å; D127-H129 PolarHBondContact O-CD2 2.83Å; D127-H129 PolarHBondContact O-N 3.37Å; D127-H129 WeakPolarHBondContact OD1-CB 3.42Å; D127-H129 IonicContact OD1-CD2 3.98Å; D127-H129 IonicContact OD1-CG 3.38Å; D127-H129 PolarHBondContact OD1-N 2.95Å; D127-H129 IonicContact OD2-CD2 2.85Å; H129-K131 HydrophobicContact CB-CD 4.46Å; H129-K131 HydrophobicContact CB-CG 4.27Å; H129-I145 WeakPolarHBondContact CE1-CD1 3.12Å
130V97.7Very high94.5Very high0 Ų037 Ų370%018%0.178CC..EExtended strand (participates in β ladder)trans-110.4117.1162.7-176.70000108.4T123 T142 L143 T144 V150 L162 F164T123-V130 CarbonylContact O-C 3.55Å; T123-V130 WeakPolarHBondContact O-CA 3.33Å; V130-T142 CarbonylContact O-C 3.6Å; V130-L143 HydrophobicContact CB-CB 4.37Å; V130-L143 HydrophobicContact CG1-CB 4.18Å; V130-L143 HydrophobicContact CG1-CD2 4.06Å; V130-L143 PolarHBondContact O-N 3.28Å; V130-T144 HydrophobicContact CB-CG2 4.06Å; V130-T144 HydrophobicContact CG2-CG2 3.99Å; V130-T144 PolarHBondContact N-O 3.48Å; V130-V150 HydrophobicContact CG2-CG1 4.23Å; V130-V150 HydrophobicContact CG2-CG2 3.83Å; V130-L162 HydrophobicContact CG1-CD2 3.54Å; V130-F164 HydrophobicContact CG2-CD1 4.16Å; V130-F164 HydrophobicContact CG2-CD2 4.12Å; V130-F164 HydrophobicContact CG2-CE1 4.19Å; V130-F164 HydrophobicContact CG2-CE2 4.18Å; V130-F164 HydrophobicContact CG2-CG 4.12Å; V130-F164 HydrophobicContact CG2-CZ 4.22Å
131K97.5Very high94.8Very high28 Ų2839.7 Ų39.712%0.12219%0.191CC..EExtended strand (participates in β ladder)trans-120.3148.6-174.7-68.7175.2-170.61660110.9A104 A122 T123 D127 H129 W133 L139 L141 T142A104-K131 PolarHBondContact O-NZ 3.27Å; A122-K131 CarbonylContact C-O 3.57Å; A122-K131 VanDerWaalsContact CA-O 3.3Å; A122-K131 WeakPolarHBondContact CA-O 3.36Å; T123-K131 PolarHBondContact N-O 3.31Å; T123-K131 PolarHBondContact O-N 2.89Å; D127-K131 IonicContact OD2-NZ 3.35Å; H129-K131 HydrophobicContact CB-CD 4.46Å; H129-K131 HydrophobicContact CB-CG 4.27Å; K131-W133 HydrophobicContact CB-CZ2 4.06Å; K131-W133 HydrophobicContact CD-CH2 4.35Å; K131-W133 HydrophobicContact CD-CZ2 3.62Å; K131-W133 HydrophobicContact CG-CZ2 4.46Å; K131-L139 HydrophobicContact CB-CD1 3.78Å; K131-L139 HydrophobicContact CD-CD1 4.12Å; K131-L139 HydrophobicContact CG-CD1 4.03Å; K131-L141 CarbonylContact C-O 3.53Å; K131-L141 WeakPolarHBondContact CA-O 2.89Å; K131-T142 HydrophobicContact CG-CG2 4.3Å
132I95.9Very high94.9Very high5 Ų542.3 Ų42.33%0.02621%0.207CC..EExtended strand (participates in β ladder)trans-118.9124.6174.3-56.3178.8000108.4V121 R140 L141 W155 V175V121-I132 CarbonylContact O-C 3.51Å; V121-I132 WeakPolarHBondContact O-CA 3.5Å; I132-R140 WeakPolarHBondContact O-CA 3.26Å; I132-R140 WeakPolarHBondContact O-CB 3.39Å; I132-R140 PolarHBondContact O-N 3.29Å; I132-L141 HydrophobicContact CB-CB 4.34Å; I132-L141 HydrophobicContact CD1-CD2 4.28Å; I132-L141 PolarHBondContact N-O 3.32Å; I132-L141 PolarHBondContact O-N 3.28Å; I132-L141 VanDerWaalsContact O-N 3.16Å; I132-W155 HydrophobicContact CD1-CH2 4.12Å; I132-W155 HydrophobicContact CG2-CH2 4.5Å; I132-V175 HydrophobicContact CD1-CB 4.24Å; I132-V175 HydrophobicContact CD1-CG1 3.41Å; I132-V175 VanDerWaalsContact CD1-CG1 3.41Å; I132-V175 HydrophobicContact CD1-CG2 3.85Å
133W95.3Very high94.8Very high16 Ų1643.5 Ų43.56%0.06121%0.213CC..EExtended strand (participates in β ladder)trans-111.5146.8-177.9-5184.5000109.2L89 I102 A104 S120 V121 T123 K131 L138 L139L89-W133 HydrophobicContact CD1-CD2 4.46Å; L89-W133 HydrophobicContact CD1-CG 4.45Å; I102-W133 HydrophobicContact CD1-CD2 4.16Å; I102-W133 HydrophobicContact CD1-CE3 3.69Å; I102-W133 HydrophobicContact CD1-CZ3 3.99Å; A104-W133 HydrophobicContact CB-CH2 3.95Å; A104-W133 HydrophobicContact CB-CZ2 3.48Å; A104-W133 VanDerWaalsContact CB-CZ2 3.48Å; S120-W133 CarbonylContact C-O 3.58Å; S120-W133 WeakPolarHBondContact CA-O 3.32Å; S120-W133 WeakPolarHBondContact CB-O 3.32Å; V121-W133 HydrophobicContact CB-CB 4.45Å; V121-W133 PolarHBondContact N-O 3.13Å; V121-W133 PolarHBondContact O-N 3.29Å; T123-W133 PolarHBondContact OG1-NE1 3.07Å; K131-W133 HydrophobicContact CB-CZ2 4.06Å; K131-W133 HydrophobicContact CD-CH2 4.35Å; K131-W133 HydrophobicContact CD-CZ2 3.62Å; K131-W133 HydrophobicContact CG-CZ2 4.46Å; W133-L138 CarbonylContact C-O 3.59Å; W133-L138 WeakPolarHBondContact CA-O 3.47Å; W133-L139 HydrophobicContact CD2-CD1 4.04Å; W133-L139 HydrophobicContact CE3-CB 3.81Å; W133-L139 HydrophobicContact CE3-CD1 4.11Å; W133-L139 HydrophobicContact CH2-CB 4.22Å; W133-L139 HydrophobicContact CH2-CD1 4.02Å; W133-L139 HydrophobicContact CZ2-CD1 3.95Å; W133-L139 HydrophobicContact CZ3-CB 3.64Å; W133-L139 HydrophobicContact CZ3-CD1 4.11Å; W133-L139 HydrophobicContact CZ3-CG 4.38Å
134S92.3Very high94.7Very high9 Ų945 Ų456%0.06322%0.223CC..EExtended strand (participates in β ladder)trans-72.9157163.262.90000109.9N136 G137 L138S134-N136 PolarHBondContact O-N 2.99Å; S134-G137 WeakPolarHBondContact O-CA 3.5Å; S134-G137 PolarHBondContact O-N 3.27Å; S134-L138 PolarHBondContact N-O 3.35Å; S134-L138 WeakPolarHBondContact OG-CB 3.3Å; S134-L138 PolarHBondContact OG-N 3.17Å; S134-L138 VanDerWaalsContact OG-N 3.08Å; S134-L138 PolarHBondContact OG-O 3.32Å; S134-L138 VanDerWaalsContact OG-O 3.11Å
135R86.9Confident94.7Very high48 Ų4850 Ų5018%0.18125%0.248CC..THydrogen-bonded Turntrans-51.8-28.4171.1-174.5177.4-175.6155.1-4.1113.9S77 T79 W114 C118 S119 G137S77-R135 PolarHBondContact O-NH2 3.12Å; T79-R135 PolarHBondContact OG1-NE 2.99Å; T79-R135 PolarHBondContact OG1-NH2 3.15Å; W114-R135 HydrophobicContact CH2-CG 4.19Å; W114-R135 HydrophobicContact CZ3-CB 4.34Å; W114-R135 HydrophobicContact CZ3-CG 4.1Å; C118-R135 WeakPolarHBondContact O-CD 3.4Å; S119-R135 PolarHBondContact O-N 2.99Å; R135-G137 PolarHBondContact O-N 3.47Å
136N87.7Confident94.6Very high115 Ų11551 Ų5162%0.61525%0.254SS*.THydrogen-bonded Turntrans-80.16.3178.5-61.1-7.1000112.9K100 S134 L138K100-N136 PolarHBondContact NZ-O 3.38Å; S134-N136 PolarHBondContact O-N 2.99Å; N136-L138 VanDerWaalsContact C-N 3.35Å
137G88.7Confident94.5Very high8 Ų854.2 Ų54.28%0.08228%0.275CS..SBendtrans75.916.1179.500000114.6S134 R135S134-G137 WeakPolarHBondContact O-CA 3.5Å; S134-G137 PolarHBondContact O-N 3.27Å; R135-G137 PolarHBondContact O-N 3.47Å
138L94.8Very high94.5Very high113 Ų11359.4 Ų59.459%0.59229%0.292SS*.  trans-87.5130.8172.8-59.2167.8000109.9W133 S134 N136 R140W133-L138 CarbonylContact C-O 3.59Å; W133-L138 WeakPolarHBondContact CA-O 3.47Å; S134-L138 PolarHBondContact N-O 3.35Å; S134-L138 WeakPolarHBondContact OG-CB 3.3Å; S134-L138 PolarHBondContact OG-N 3.17Å; S134-L138 VanDerWaalsContact OG-N 3.08Å; S134-L138 PolarHBondContact OG-O 3.32Å; S134-L138 VanDerWaalsContact OG-O 3.11Å; N136-L138 VanDerWaalsContact C-N 3.35Å; L138-R140 PolarHBondContact O-N 2.92Å
139L96.3Very high94.4Very high84 Ų8461.2 Ų61.244%0.4430%0.303SS..EExtended strand (participates in β ladder)trans-64.6118.2172.1-17863.5000109.6K131 W133K131-L139 HydrophobicContact CB-CD1 3.78Å; K131-L139 HydrophobicContact CD-CD1 4.12Å; K131-L139 HydrophobicContact CG-CD1 4.03Å; W133-L139 HydrophobicContact CD2-CD1 4.04Å; W133-L139 HydrophobicContact CE3-CB 3.81Å; W133-L139 HydrophobicContact CE3-CD1 4.11Å; W133-L139 HydrophobicContact CH2-CB 4.22Å; W133-L139 HydrophobicContact CH2-CD1 4.02Å; W133-L139 HydrophobicContact CZ2-CD1 3.95Å; W133-L139 HydrophobicContact CZ3-CB 3.64Å; W133-L139 HydrophobicContact CZ3-CD1 4.11Å; W133-L139 HydrophobicContact CZ3-CG 4.38Å
140R94.3Very high94.4Very high151 Ų15158.9 Ų58.957%0.5729%0.292SS*.EExtended strand (participates in β ladder)trans-89.8-44.9177.1-75.1-175.9162.4-179.6-6111.7S120 I132 L138S120-R140 PolarHBondContact OG-NH1 3.16Å; I132-R140 WeakPolarHBondContact O-CA 3.26Å; I132-R140 WeakPolarHBondContact O-CB 3.39Å; I132-R140 PolarHBondContact O-N 3.29Å; L138-R140 PolarHBondContact O-N 2.92Å
141L94.3Very high94.3Very high69 Ų6963.2 Ų63.236%0.36131%0.309SS..EExtended strand (participates in β ladder)trans-152.6140.1-172.5-178.464.3000110.1K131 I132 L143K131-L141 CarbonylContact C-O 3.53Å; K131-L141 WeakPolarHBondContact CA-O 2.89Å; I132-L141 HydrophobicContact CB-CB 4.34Å; I132-L141 HydrophobicContact CD1-CD2 4.28Å; I132-L141 PolarHBondContact N-O 3.32Å; I132-L141 PolarHBondContact O-N 3.28Å; I132-L141 VanDerWaalsContact O-N 3.16Å; L141-L143 HydrophobicContact CD2-CD1 3.88Å
142T95.7Very high94.2Very high55 Ų5563.4 Ų63.434%0.33731%0.312SS..EExtended strand (participates in β ladder)trans-95.9105.4157.1-59.50000106.2V130 K131 I145V130-T142 CarbonylContact O-C 3.6Å; K131-T142 HydrophobicContact CG-CG2 4.3Å; T142-I145 HydrophobicContact CG2-CG1 4.17Å
143L94.6Very high94.3Very high26 Ų2663.5 Ų63.514%0.13631%0.312CS..EExtended strand (participates in β ladder)trans-68.3-43.8-169.8-175.666.6000111.3V130 L141 L162 H173 V175V130-L143 HydrophobicContact CB-CB 4.37Å; V130-L143 HydrophobicContact CG1-CB 4.18Å; V130-L143 HydrophobicContact CG1-CD2 4.06Å; V130-L143 PolarHBondContact O-N 3.28Å; L141-L143 HydrophobicContact CD2-CD1 3.88Å; L143-L162 HydrophobicContact CD2-CB 3.87Å; L143-L162 HydrophobicContact CD2-CD2 3.92Å; L143-L162 HydrophobicContact CD2-CG 4.49Å; L143-H173 HydrophobicContact CD1-CB 4.28Å; L143-H173 HydrophobicContact CD2-CB 3.8Å; L143-H173 HydrophobicContact CG-CB 4.07Å; L143-V175 HydrophobicContact CD1-CG2 4.43Å
144T95.3Very high94.2Very high32 Ų3264 Ų6420%0.19632%0.317CS..EExtended strand (participates in β ladder)trans-164.2165.6177.9-167.70000110.7V130 F164V130-T144 HydrophobicContact CB-CG2 4.06Å; V130-T144 HydrophobicContact CG2-CG2 3.99Å; V130-T144 PolarHBondContact N-O 3.48Å; T144-F164 HydrophobicContact CG2-CE1 3.71Å; T144-F164 HydrophobicContact CG2-CE2 4.39Å; T144-F164 HydrophobicContact CG2-CZ 3.43Å; T144-F164 VanDerWaalsContact CG2-CZ 3.43Å
145I96.3Very high94.2Very high105 Ų10564.3 Ų64.354%0.53832%0.316SS..EExtended strand (participates in β ladder)trans-129.2123.8175.8-49.1176000106.3H129 T142H129-I145 WeakPolarHBondContact CE1-CD1 3.12Å; T142-I145 HydrophobicContact CG2-CG1 4.17Å
146V95.7Very high94.3Very high20 Ų2062 Ų6212%0.12131%0.308CS..  trans-117.1153.8177-70.30000110.2G128 R148 V150 F164G128-V146 WeakPolarHBondContact CA-O 3.14Å; G128-V146 WeakPolarHBondContact O-CG2 3.03Å; G128-V146 PolarHBondContact O-N 3.13Å; V146-R148 WeakPolarHBondContact CG2-O 3.38Å; V146-R148 PolarHBondContact O-N 3.37Å; V146-R148 VanDerWaalsContact O-N 3.11Å; V146-V150 HydrophobicContact CG2-CG2 3.72Å; V146-F164 HydrophobicContact CG1-CE2 4.09Å; V146-F164 HydrophobicContact CG1-CZ 4.33Å; V146-F164 HydrophobicContact CG2-CE2 4.46Å
147D94.4Very high93.9Very high168 Ų16857.3 Ų57.390%0.89828%0.284SS*.SBendtrans-77.46.2-174.4-53.4-33.2000114
148R95.8Very high93.3Very high147 Ų14759.4 Ų59.456%0.55529%0.293SS*.SBendtrans-138.1155.2-172.9-65.7-67-163.3-172.20.6109.9G128 V146 D167G128-R148 WeakPolarHBondContact CA-O 3.43Å; V146-R148 WeakPolarHBondContact CG2-O 3.38Å; V146-R148 PolarHBondContact O-N 3.37Å; V146-R148 VanDerWaalsContact O-N 3.11Å; R148-D167 HydrophobicContact CB-CB 4.41Å; R148-D167 HydrophobicContact CG-CB 4.13Å; R148-D167 IonicContact NE-OD2 2.81Å
149P96Very high92.6Very high37 Ų3754.6 Ų54.624%0.2427%0.27CS..  trans-54.9143.4174-26.435.7000112.6L110 Y151L110-P149 HydrophobicContact CD1-CB 3.73Å; P149-Y151 HydrophobicContact CB-CE1 4.35Å; P149-Y151 HydrophobicContact CB-CE2 4.39Å
150V97.7Very high92.1Very high0 Ų052.5 Ų52.50%026%0.263CS..EExtended strand (participates in β ladder)trans-95.6105.2174-1780000108.1L110 C111 G125 V130 V146 F164 C165L110-V150 VanDerWaalsContact CB-O 3.3Å; L110-V150 WeakPolarHBondContact CB-O 3.33Å; C111-V150 PolarHBondContact SG-O 3.46Å; G125-V150 PolarHBondContact O-N 2.95Å; V130-V150 HydrophobicContact CG2-CG1 4.23Å; V130-V150 HydrophobicContact CG2-CG2 3.83Å; V146-V150 HydrophobicContact CG2-CG2 3.72Å; V150-F164 HydrophobicContact CG1-CB 3.95Å; V150-F164 HydrophobicContact CG1-CD2 3.98Å; V150-F164 HydrophobicContact CG1-CG 4.3Å; V150-F164 HydrophobicContact CG2-CD2 4.37Å; V150-C165 WeakPolarHBondContact CA-O 3.47Å
151Y95.2Very high91.9Very high92 Ų9247.5 Ų47.536%0.36124%0.244SC..EExtended strand (participates in β ladder)trans-80.2-34.5-170.9-70.3-71.4000113.7L110 P149 C165 L191L110-Y151 HydrophobicContact CD1-CD1 4.2Å; L110-Y151 HydrophobicContact CD1-CE1 4.45Å; P149-Y151 HydrophobicContact CB-CE1 4.35Å; P149-Y151 HydrophobicContact CB-CE2 4.39Å; Y151-C165 PolarHBondContact N-O 3.34Å; Y151-L191 WeakPolarHBondContact CD2-O 3.4Å
152D95.9Very high91.9Very high32 Ų3244.2 Ų44.217%0.17123%0.227CC..EExtended strand (participates in β ladder)trans-151.7153.8-179-157.32.9000110.9F164 C165 S193 I194D152-F164 VanDerWaalsContact O-CA 3.32Å; D152-F164 WeakPolarHBondContact O-CA 3.47Å; D152-F164 WeakPolarHBondContact O-CB 3.35Å; D152-C165 PolarHBondContact N-SG 2.78Å; D152-C165 PolarHBondContact O-N 2.88Å; D152-C165 VanDerWaalsContact O-N 3.08Å; D152-S193 WeakPolarHBondContact OD2-CA 3.5Å; D152-I194 HydrophobicContact CB-CD1 4.26Å; D152-I194 HydrophobicContact CB-CG1 4Å; D152-I194 WeakPolarHBondContact O-CD1 3.38Å; D152-I194 PolarHBondContact OD2-N 3.33Å
153L96.5Very high92Very high6 Ų641.6 Ų41.63%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-149.5147.2177.770.985.8000111.8C111 A113 A122 T123 G124 L162 L163 F164C111-L153 HydrophobicContact CB-CD2 4.38Å; C111-L153 HydrophobicContact CB-CG 4.17Å; C111-L153 WeakPolarHBondContact SG-CD2 3.43Å; A113-L153 HydrophobicContact CB-CD1 3.44Å; A113-L153 VanDerWaalsContact CB-CD1 3.44Å; A122-L153 HydrophobicContact CB-CD1 3.7Å; A122-L153 HydrophobicContact CB-CD2 4.36Å; T123-L153 VanDerWaalsContact C-CD2 3.42Å; G124-L153 VanDerWaalsContact N-CD2 3.34Å; L153-L162 HydrophobicContact CB-CD2 4.37Å; L153-L162 HydrophobicContact CD1-CD1 4.47Å; L153-L162 HydrophobicContact CD1-CD2 4.49Å; L153-L163 CarbonylContact C-O 3.55Å; L153-L163 VanDerWaalsContact CA-O 3.27Å; L153-L163 WeakPolarHBondContact CA-O 3.44Å; L153-F164 HydrophobicContact CB-CB 3.85Å
154V94.7Very high92.1Very high26 Ų2640.4 Ų40.416%0.15820%0.204CC..EExtended strand (participates in β ladder)trans-146.1144.8178.467.60000110.6L163 I194 W196V154-L163 HydrophobicContact CG1-CB 3.84Å; V154-L163 HydrophobicContact CG1-CD2 3.75Å; V154-L163 HydrophobicContact CG1-CG 4.18Å; V154-L163 PolarHBondContact N-O 3.32Å; V154-L163 PolarHBondContact O-N 3.22Å; V154-I194 HydrophobicContact CG1-CD1 4.48Å; V154-I194 HydrophobicContact CG1-CG1 4.25Å; V154-W196 HydrophobicContact CG1-CB 3.93Å; V154-W196 HydrophobicContact CG2-CB 4.41Å
155W91.3Very high92.2Very high16 Ų1638.9 Ų38.96%0.06120%0.195CC..EExtended strand (participates in β ladder)trans-75.6146.8173.5-71.491.1000110.7A113 W114 A122 I132 G159 L162 V175A113-W155 PolarHBondContact O-NE1 3.21Å; W114-W155 PolarHBondContact O-NE1 3Å; A122-W155 HydrophobicContact CB-CZ2 3.72Å; I132-W155 HydrophobicContact CD1-CH2 4.12Å; I132-W155 HydrophobicContact CG2-CH2 4.5Å; W155-G159 WeakPolarHBondContact CZ3-O 3.46Å; W155-L162 HydrophobicContact CD2-CD1 3.59Å; W155-L162 HydrophobicContact CE3-CD1 3.88Å; W155-L162 HydrophobicContact CG-CD1 4.08Å; W155-L162 HydrophobicContact CH2-CD1 4.19Å; W155-L162 HydrophobicContact CZ2-CD1 3.9Å; W155-L162 HydrophobicContact CZ3-CD1 4.19Å; W155-V175 HydrophobicContact CH2-CG1 4.44Å; W155-V175 HydrophobicContact CH2-CG2 4.16Å; W155-V175 HydrophobicContact CZ3-CB 4.39Å; W155-V175 HydrophobicContact CZ3-CG1 4.42Å; W155-V175 HydrophobicContact CZ3-CG2 3.7Å
156S88.3Confident92.2Very high0 Ų034.2 Ų34.20%017%0.172CC..  trans-64.2156.4167.662.40000111D158 G159 S160 R161 W196S156-D158 VanDerWaalsContact CB-OD1 3.25Å; S156-D158 WeakPolarHBondContact CB-OD1 3.37Å; S156-D158 PolarHBondContact O-N 3.46Å; S156-D158 VanDerWaalsContact O-N 3.13Å; S156-D158 PolarHBondContact OG-OD1 3.14Å; S156-G159 PolarHBondContact O-N 3.39Å; S156-G159 PolarHBondContact OG-N 3.4Å; S156-S160 PolarHBondContact OG-N 2.87Å; S156-R161 WeakPolarHBondContact CB-O 3.44Å; S156-R161 PolarHBondContact N-O 3.36Å; S156-R161 WeakPolarHBondContact OG-CA 3.46Å; S156-R161 PolarHBondContact OG-N 3.39Å; S156-R161 PolarHBondContact OG-O 3.49Å; S156-R161 VanDerWaalsContact OG-O 3.06Å; S156-W196 VanDerWaalsContact CA-CE3 3.49Å; S156-W196 VanDerWaalsContact CB-CZ3 3.41Å
157P79.5Confident92.1Very high17 Ų1735.9 Ų35.911%0.1118%0.18CC..THydrogen-bonded Turntrans-60-27.9-177.2-26.236.8000114W196 A415 V416 R417P157-W196 HydrophobicContact CG-CG 4.39Å; P157-A415 CarbonylContact O-C 3.59Å; P157-A415 WeakPolarHBondContact O-CB 3.37Å; P157-V416 CarbonylContact O-C 3.58Å; P157-V416 PolarHBondContact O-N 3.35Å; P157-V416 VanDerWaalsContact O-N 3.13Å; P157-R417 VanDerWaalsContact O-CG 3.3Å; P157-R417 WeakPolarHBondContact O-CG 3.4Å
158D75.9Confident92.2Very high52 Ų5229.4 Ų29.428%0.27815%0.146SC..THydrogen-bonded Turntrans-88.6-4.3175.667.1-13.5000113.9S156 S160 R417S156-D158 VanDerWaalsContact CB-OD1 3.25Å; S156-D158 WeakPolarHBondContact CB-OD1 3.37Å; S156-D158 PolarHBondContact O-N 3.46Å; S156-D158 VanDerWaalsContact O-N 3.13Å; S156-D158 PolarHBondContact OG-OD1 3.14Å; D158-S160 PolarHBondContact O-N 3.38Å; D158-S160 PolarHBondContact OD1-N 3.26Å; D158-S160 PolarHBondContact OD1-OG 3.03Å; D158-S160 VanDerWaalsContact OD1-OG 3.04Å; D158-S160 PolarHBondContact OD2-OG 2.91Å; D158-R417 VanDerWaalsContact CB-NH2 3.3Å
159G81.5Confident92.3Very high11 Ų1122.5 Ų22.511%0.11312%0.12CC..SBendtrans73.20.4-17900000115.2W155 S156W155-G159 WeakPolarHBondContact CZ3-O 3.46Å; S156-G159 PolarHBondContact O-N 3.39Å; S156-G159 PolarHBondContact OG-N 3.4Å
160S84.9Confident92.4Very high40 Ų4020.8 Ų20.828%0.2811%0.108SC..SBendtrans-84.2-25-174.8730000113.5S156 D158 N174 V175S156-S160 PolarHBondContact OG-N 2.87Å; D158-S160 PolarHBondContact O-N 3.38Å; D158-S160 PolarHBondContact OD1-N 3.26Å; D158-S160 PolarHBondContact OD1-OG 3.03Å; D158-S160 VanDerWaalsContact OD1-OG 3.04Å; D158-S160 PolarHBondContact OD2-OG 2.91Å; S160-N174 PolarHBondContact O-OD1 3.49Å; S160-N174 VanDerWaalsContact O-OD1 3.11Å; S160-V175 PolarHBondContact O-N 3.48Å
161R91Very high92.4Very high47 Ų4721.4 Ų21.418%0.17711%0.112CC..EExtended strand (participates in β ladder)trans-124.4156.2-173.7-68.7177.3-82.9165.12110.9S156 V172 H173 N174 W196 E217S156-R161 WeakPolarHBondContact CB-O 3.44Å; S156-R161 PolarHBondContact N-O 3.36Å; S156-R161 WeakPolarHBondContact OG-CA 3.46Å; S156-R161 PolarHBondContact OG-N 3.39Å; S156-R161 PolarHBondContact OG-O 3.49Å; S156-R161 VanDerWaalsContact OG-O 3.06Å; R161-V172 HydrophobicContact CB-CG1 4.19Å; R161-V172 HydrophobicContact CG-CG1 4.47Å; R161-H173 CarbonylContact C-O 3.51Å; R161-H173 WeakPolarHBondContact CA-O 3.47Å; R161-H173 WeakPolarHBondContact CB-O 2.86Å; R161-N174 HydrophobicContact CG-CB 4.29Å; R161-W196 HydrophobicContact CB-CH2 4.29Å; R161-W196 HydrophobicContact CB-CZ3 4.45Å; R161-E217 IonicContact CZ-OE2 3.34Å; R161-E217 IonicContact NH1-OE2 3.22Å; R161-E217 PolarHBondContact NH1-OE2 3.23Å; R161-E217 VanDerWaalsContact NH1-OE2 3.12Å; R161-E217 IonicContact NH2-OE2 2.95Å; R161-E217 PolarHBondContact NH2-OE2 3.34Å
162L94.6Very high92.4Very high0 Ų017.2 Ų17.20%010%0.096CC..EExtended strand (participates in β ladder)trans-120.2127.2173.2-153.294.4000108.9A122 V130 L143 L153 W155 F164 V172 H173 V175A122-L162 HydrophobicContact CB-CD1 3.5Å; A122-L162 VanDerWaalsContact CB-CD1 3.5Å; A122-L162 HydrophobicContact CB-CD2 4.16Å; A122-L162 HydrophobicContact CB-CG 4.48Å; V130-L162 HydrophobicContact CG1-CD2 3.54Å; L143-L162 HydrophobicContact CD2-CB 3.87Å; L143-L162 HydrophobicContact CD2-CD2 3.92Å; L143-L162 HydrophobicContact CD2-CG 4.49Å; L153-L162 HydrophobicContact CB-CD2 4.37Å; L153-L162 HydrophobicContact CD1-CD1 4.47Å; L153-L162 HydrophobicContact CD1-CD2 4.49Å; W155-L162 HydrophobicContact CD2-CD1 3.59Å; W155-L162 HydrophobicContact CE3-CD1 3.88Å; W155-L162 HydrophobicContact CG-CD1 4.08Å; W155-L162 HydrophobicContact CH2-CD1 4.19Å; W155-L162 HydrophobicContact CZ2-CD1 3.9Å; W155-L162 HydrophobicContact CZ3-CD1 4.19Å; L162-F164 HydrophobicContact CD2-CD1 4.4Å; L162-V172 WeakPolarHBondContact O-CA 3.26Å; L162-H173 PolarHBondContact N-O 2.99Å; L162-H173 PolarHBondContact O-N 3.43Å; L162-V175 HydrophobicContact CB-CG2 4.33Å
163L96.7Very high92.3Very high0 Ų017.1 Ų17.10%09%0.094CC..EExtended strand (participates in β ladder)trans-97.2133.3167.5173.572.7000108.3L153 V154 L170 H171 V172 W184 I194 W196 I203L153-L163 CarbonylContact C-O 3.55Å; L153-L163 VanDerWaalsContact CA-O 3.27Å; L153-L163 WeakPolarHBondContact CA-O 3.44Å; V154-L163 HydrophobicContact CG1-CB 3.84Å; V154-L163 HydrophobicContact CG1-CD2 3.75Å; V154-L163 HydrophobicContact CG1-CG 4.18Å; V154-L163 PolarHBondContact N-O 3.32Å; V154-L163 PolarHBondContact O-N 3.22Å; L163-L170 HydrophobicContact CD1-CB 4.23Å; L163-L170 HydrophobicContact CD1-CD2 4.23Å; L163-H171 CarbonylContact C-O 3.51Å; L163-H171 VanDerWaalsContact CA-O 3.31Å; L163-H171 WeakPolarHBondContact CA-O 3.36Å; L163-V172 HydrophobicContact CD1-CG2 3.63Å; L163-W184 HydrophobicContact CD1-CH2 4.39Å; L163-I194 HydrophobicContact CD2-CB 4.37Å; L163-I194 HydrophobicContact CD2-CD1 4.1Å; L163-I194 HydrophobicContact CD2-CG1 4.35Å; L163-I194 HydrophobicContact CG-CD1 3.89Å; L163-W196 HydrophobicContact CB-CE3 3.59Å; L163-W196 HydrophobicContact CB-CZ3 3.7Å; L163-W196 HydrophobicContact CD2-CE3 4.3Å; L163-I203 HydrophobicContact CD1-CD1 4.2Å; L163-I203 HydrophobicContact CD2-CB 4.33Å; L163-I203 HydrophobicContact CD2-CD1 4.08Å; L163-I203 HydrophobicContact CD2-CG1 4.02Å; L163-I203 HydrophobicContact CD2-CG2 3.42Å; L163-I203 VanDerWaalsContact CD2-CG2 3.42Å
164F97.4Very high92.1Very high0 Ų018.4 Ų18.40%010%0.101CC..EExtended strand (participates in β ladder)trans-144.7158.6171.267.7-91.4000111.2V130 T144 V146 V150 D152 L153 L162 H171 H173V130-F164 HydrophobicContact CG2-CD1 4.16Å; V130-F164 HydrophobicContact CG2-CD2 4.12Å; V130-F164 HydrophobicContact CG2-CE1 4.19Å; V130-F164 HydrophobicContact CG2-CE2 4.18Å; V130-F164 HydrophobicContact CG2-CG 4.12Å; V130-F164 HydrophobicContact CG2-CZ 4.22Å; T144-F164 HydrophobicContact CG2-CE1 3.71Å; T144-F164 HydrophobicContact CG2-CE2 4.39Å; T144-F164 HydrophobicContact CG2-CZ 3.43Å; T144-F164 VanDerWaalsContact CG2-CZ 3.43Å; V146-F164 HydrophobicContact CG1-CE2 4.09Å; V146-F164 HydrophobicContact CG1-CZ 4.33Å; V146-F164 HydrophobicContact CG2-CE2 4.46Å; V150-F164 HydrophobicContact CG1-CB 3.95Å; V150-F164 HydrophobicContact CG1-CD2 3.98Å; V150-F164 HydrophobicContact CG1-CG 4.3Å; V150-F164 HydrophobicContact CG2-CD2 4.37Å; D152-F164 VanDerWaalsContact O-CA 3.32Å; D152-F164 WeakPolarHBondContact O-CA 3.47Å; D152-F164 WeakPolarHBondContact O-CB 3.35Å; L153-F164 HydrophobicContact CB-CB 3.85Å; L162-F164 HydrophobicContact CD2-CD1 4.4Å; F164-H171 HydrophobicContact CD1-CB 3.96Å; F164-H171 HydrophobicContact CD2-CB 3.99Å; F164-H171 HydrophobicContact CE1-CB 3.52Å; F164-H171 HydrophobicContact CE2-CB 3.53Å; F164-H171 AromaticContact CE2-CD2 3.82Å; F164-H171 AromaticContact CE2-CG 3.57Å; F164-H171 HydrophobicContact CG-CB 4.18Å; F164-H171 HydrophobicContact CZ-CB 3.26Å; F164-H171 AromaticContact CZ-CG 3.6Å; F164-H171 AromaticContact CZ-ND1 3.93Å; F164-H171 PolarHBondContact N-O 2.84Å; F164-H171 PolarHBondContact O-N 3.12Å; F164-H173 AromaticContact CE1-CE1 3.8Å; F164-H173 AromaticContact CE1-ND1 3.37Å; F164-H173 WeakPolarHBondContact CE1-ND1 3.47Å; F164-H173 AromaticContact CZ-CE1 3.84Å; F164-H173 AromaticContact CZ-ND1 3.89Å
165C97.1Very high91.8Very high0 Ų018.4 Ų18.40%010%0.101CC..EExtended strand (participates in β ladder)trans-111.4140176.561.40000111.9V150 Y151 D152 A169 L170 L191 I194V150-C165 WeakPolarHBondContact CA-O 3.47Å; Y151-C165 PolarHBondContact N-O 3.34Å; D152-C165 PolarHBondContact N-SG 2.78Å; D152-C165 PolarHBondContact O-N 2.88Å; D152-C165 VanDerWaalsContact O-N 3.08Å; C165-A169 WeakPolarHBondContact CA-O 3.46Å; C165-L170 HydrophobicContact CB-CD2 4.01Å; C165-L191 HydrophobicContact CB-CB 3.64Å; C165-L191 HydrophobicContact CB-CD1 3.6Å; C165-L191 HydrophobicContact CB-CG 4.26Å; C165-I194 HydrophobicContact CB-CD1 4.31Å; C165-I194 HydrophobicContact CB-CG2 3.96Å
166S95.7Very high91.4Very high8 Ų826.8 Ų26.86%0.05614%0.141CC..EExtended strand (participates in β ladder)trans-139.2126.1169.571.70000109.1N168 A169 H171S166-N168 PolarHBondContact O-N 3.08Å; S166-N168 VanDerWaalsContact O-N 3.14Å; S166-A169 PolarHBondContact N-O 3.34Å; S166-A169 VanDerWaalsContact N-O 3.09Å; S166-A169 PolarHBondContact O-N 3.24Å; S166-H171 PolarHBondContact OG-NE2 3.42Å; S166-H171 VanDerWaalsContact OG-NE2 3.08Å
167D95.1Very high90.7Very high55 Ų5528.5 Ų28.529%0.29416%0.158SC..THydrogen-bonded Turntrans49.3-118.5-171.5-172.22.1000110.6R148 A190 L191R148-D167 HydrophobicContact CB-CB 4.41Å; R148-D167 HydrophobicContact CG-CB 4.13Å; R148-D167 IonicContact NE-OD2 2.81Å; D167-A190 CarbonylContact O-C 3.54Å; D167-A190 WeakPolarHBondContact O-CA 3.49Å; D167-L191 WeakPolarHBondContact O-CB 3.16Å; D167-L191 PolarHBondContact O-N 3.45Å
168N96.5Very high90.5Very high32 Ų3234.9 Ų34.917%0.17120%0.197CC..THydrogen-bonded Turntrans-1008.9-17762.221.5000114.6S166 A186 H187 G189S166-N168 PolarHBondContact O-N 3.08Å; S166-N168 VanDerWaalsContact O-N 3.14Å; N168-A186 PolarHBondContact O-N 2.99Å; N168-H187 PolarHBondContact O-N 3.35Å; N168-G189 WeakPolarHBondContact CA-O 2.84Å; N168-G189 VanDerWaalsContact CB-O 3.25Å; N168-G189 WeakPolarHBondContact CB-O 3.34Å
169A97.3Very high90.8Very high2 Ų238.5 Ų38.52%0.01721%0.212CC..EExtended strand (participates in β ladder)trans-116.5144.7-172.700000112.9C165 S166 R183 W184 L191C165-A169 WeakPolarHBondContact CA-O 3.46Å; S166-A169 PolarHBondContact N-O 3.34Å; S166-A169 VanDerWaalsContact N-O 3.09Å; S166-A169 PolarHBondContact O-N 3.24Å; A169-R183 HydrophobicContact CB-CG 4.43Å; A169-W184 VanDerWaalsContact CA-O 3.3Å; A169-W184 WeakPolarHBondContact CA-O 3.43Å; A169-W184 WeakPolarHBondContact CB-O 3.48Å; A169-L191 VanDerWaalsContact C-CD1 3.47Å; A169-L191 VanDerWaalsContact O-CD1 3.29Å; A169-L191 WeakPolarHBondContact O-CD1 3.42Å
170L98Very high91.1Very high0 Ų049.1 Ų49.10%025%0.249CC..EExtended strand (participates in β ladder)trans-99.3142.5169.4-68.6172.4000109.6L163 C165 R183 W184 A186 L191 I194 I203L163-L170 HydrophobicContact CD1-CB 4.23Å; L163-L170 HydrophobicContact CD1-CD2 4.23Å; C165-L170 HydrophobicContact CB-CD2 4.01Å; L170-R183 WeakPolarHBondContact O-CA 3.43Å; L170-W184 HydrophobicContact CB-CD2 4.12Å; L170-W184 HydrophobicContact CB-CE3 4.47Å; L170-W184 HydrophobicContact CB-CH2 4Å; L170-W184 HydrophobicContact CB-CZ2 3.59Å; L170-W184 HydrophobicContact CB-CZ3 4.43Å; L170-W184 HydrophobicContact CD1-CH2 4.5Å; L170-W184 HydrophobicContact CD1-CZ2 3.5Å; L170-W184 VanDerWaalsContact CD1-CZ2 3.5Å; L170-W184 HydrophobicContact CG-CZ2 4.19Å; L170-W184 PolarHBondContact N-O 3.2Å; L170-W184 PolarHBondContact O-N 3.41Å; L170-W184 VanDerWaalsContact O-N 3.14Å; L170-A186 HydrophobicContact CD1-CB 3.75Å; L170-A186 HydrophobicContact CG-CB 3.76Å; L170-L191 HydrophobicContact CD2-CD1 3.75Å; L170-L191 HydrophobicContact CG-CD1 3.9Å; L170-I194 HydrophobicContact CD2-CG2 3.57Å; L170-I203 HydrophobicContact CD1-CG2 4.31Å
171H96.8Very high91.4Very high14 Ų1449.7 Ų49.77%0.06526%0.256CS..EExtended strand (participates in β ladder)trans-129.6129.7-179.1-63.7-111.5000109.6L163 F164 S166 I182 R183L163-H171 CarbonylContact C-O 3.51Å; L163-H171 VanDerWaalsContact CA-O 3.31Å; L163-H171 WeakPolarHBondContact CA-O 3.36Å; F164-H171 HydrophobicContact CD1-CB 3.96Å; F164-H171 HydrophobicContact CD2-CB 3.99Å; F164-H171 HydrophobicContact CE1-CB 3.52Å; F164-H171 HydrophobicContact CE2-CB 3.53Å; F164-H171 AromaticContact CE2-CD2 3.82Å; F164-H171 AromaticContact CE2-CG 3.57Å; F164-H171 HydrophobicContact CG-CB 4.18Å; F164-H171 HydrophobicContact CZ-CB 3.26Å; F164-H171 AromaticContact CZ-CG 3.6Å; F164-H171 AromaticContact CZ-ND1 3.93Å; F164-H171 PolarHBondContact N-O 2.84Å; F164-H171 PolarHBondContact O-N 3.12Å; S166-H171 PolarHBondContact OG-NE2 3.42Å; S166-H171 VanDerWaalsContact OG-NE2 3.08Å; H171-I182 CarbonylContact C-O 3.49Å; H171-I182 WeakPolarHBondContact CA-O 3.5Å; H171-R183 VanDerWaalsContact CE1-CD 3.41Å; H171-R183 WeakPolarHBondContact CE1-CD 3.3Å; H171-R183 PolarHBondContact CE1-NE 3.02Å
172V95.9Very high91.5Very high4 Ų450.4 Ų50.42%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-116.7119.5172.9179.30000108.2R161 L162 L163 A181 I182 W184 W196R161-V172 HydrophobicContact CB-CG1 4.19Å; R161-V172 HydrophobicContact CG-CG1 4.47Å; L162-V172 WeakPolarHBondContact O-CA 3.26Å; L163-V172 HydrophobicContact CD1-CG2 3.63Å; V172-A181 CarbonylContact O-C 3.54Å; V172-A181 VanDerWaalsContact O-CA 3.3Å; V172-A181 WeakPolarHBondContact O-CA 3.41Å; V172-I182 HydrophobicContact CB-CB 4.42Å; V172-I182 PolarHBondContact N-O 3.46Å; V172-I182 PolarHBondContact O-N 3.36Å; V172-W184 HydrophobicContact CG2-CH2 3.75Å; V172-W184 HydrophobicContact CG2-CZ3 3.76Å; V172-W196 HydrophobicContact CG1-CH2 4.07Å; V172-W196 HydrophobicContact CG1-CZ3 4.43Å
173H94.5Very high91.5Very high29 Ų2958.7 Ų58.713%0.13429%0.294CS..EExtended strand (participates in β ladder)trans-119.5140.5178.7-79.670.2000110.6L143 R161 L162 F164 A181L143-H173 HydrophobicContact CD1-CB 4.28Å; L143-H173 HydrophobicContact CD2-CB 3.8Å; L143-H173 HydrophobicContact CG-CB 4.07Å; R161-H173 CarbonylContact C-O 3.51Å; R161-H173 WeakPolarHBondContact CA-O 3.47Å; R161-H173 WeakPolarHBondContact CB-O 2.86Å; L162-H173 PolarHBondContact N-O 2.99Å; L162-H173 PolarHBondContact O-N 3.43Å; F164-H173 AromaticContact CE1-CE1 3.8Å; F164-H173 AromaticContact CE1-ND1 3.37Å; F164-H173 WeakPolarHBondContact CE1-ND1 3.47Å; F164-H173 AromaticContact CZ-CE1 3.84Å; F164-H173 AromaticContact CZ-ND1 3.89Å; H173-A181 VanDerWaalsContact CD2-CB 3.47Å; H173-A181 WeakPolarHBondContact CD2-CB 3.39Å; H173-A181 VanDerWaalsContact CE1-CB 3.5Å; H173-A181 WeakPolarHBondContact CE1-CB 3.49Å; H173-A181 VanDerWaalsContact NE2-CB 3.3Å; H173-A181 WeakPolarHBondContact NE2-CB 3.4Å
174N92.1Very high91.6Very high33 Ų3360.2 Ų60.218%0.17630%0.3CS..EExtended strand (participates in β ladder)trans-81.4136.2169.5-161-40.1000109.3S160 R161 Q176 G177 E179S160-N174 PolarHBondContact O-OD1 3.49Å; S160-N174 VanDerWaalsContact O-OD1 3.11Å; R161-N174 HydrophobicContact CG-CB 4.29Å; N174-Q176 PolarHBondContact OD1-N 3.09Å; N174-G177 WeakPolarHBondContact OD1-CA 3.46Å; N174-G177 PolarHBondContact OD1-N 3.01Å; N174-E179 HydrophobicContact CB-CB 4.37Å; N174-E179 PolarHBondContact ND2-OE2 2.84Å
175V88.6Confident91.5Very high27 Ų2767 Ų6716%0.16433%0.329CS..SBendtrans-85.2-35.2-175.4174.20000112.1I132 L143 W155 S160 L162I132-V175 HydrophobicContact CD1-CB 4.24Å; I132-V175 HydrophobicContact CD1-CG1 3.41Å; I132-V175 VanDerWaalsContact CD1-CG1 3.41Å; I132-V175 HydrophobicContact CD1-CG2 3.85Å; L143-V175 HydrophobicContact CD1-CG2 4.43Å; W155-V175 HydrophobicContact CH2-CG1 4.44Å; W155-V175 HydrophobicContact CH2-CG2 4.16Å; W155-V175 HydrophobicContact CZ3-CB 4.39Å; W155-V175 HydrophobicContact CZ3-CG1 4.42Å; W155-V175 HydrophobicContact CZ3-CG2 3.7Å; S160-V175 PolarHBondContact O-N 3.48Å; L162-V175 HydrophobicContact CB-CG2 4.33Å
176Q82.4Confident91.5Very high191 Ų19167.1 Ų67.189%0.89333%0.33SS*.SBendtrans-122.31.6-178.9-63-164.8-3.400113.8N174N174-Q176 PolarHBondContact OD1-N 3.09Å
177G73.8Confident91.6Very high36 Ų3667 Ų6737%0.37133%0.329SS..  trans-103.9162.8-176.200000114.7N174 E179N174-G177 WeakPolarHBondContact OD1-CA 3.46Å; N174-G177 PolarHBondContact OD1-N 3.01Å; G177-E179 VanDerWaalsContact C-N 3.32Å
178T75.6Confident91.7Very high151 Ų15168.2 Ų68.293%0.92635%0.347SS*.  trans-89.70.8171.454.50000112.9
179E82.3Confident91.6Very high128 Ų12867.5 Ų67.560%0.59835%0.347SS*.PPolyproline II helixtrans-58.9138.9177.2-68.5-175.9154.600110.7N174 G177 A181N174-E179 HydrophobicContact CB-CB 4.37Å; N174-E179 PolarHBondContact ND2-OE2 2.84Å; G177-E179 VanDerWaalsContact C-N 3.32Å; E179-A181 PolarHBondContact O-N 2.62Å
180R86.1Confident91.5Very high235 Ų23568 Ų6889%0.88735%0.351SS*.PPolyproline II helixtrans-66134.1-179.8-71.5-176.8175.5176.3-0.9109.8I182R180-I182 PolarHBondContact O-N 3.43Å
181A91.2Very high91.5Very high51 Ų5168 Ų6842%0.42135%0.351SS..PPolyproline II helixtrans-57138169.700000110.8V172 H173 E179V172-A181 CarbonylContact O-C 3.54Å; V172-A181 VanDerWaalsContact O-CA 3.3Å; V172-A181 WeakPolarHBondContact O-CA 3.41Å; H173-A181 VanDerWaalsContact CD2-CB 3.47Å; H173-A181 WeakPolarHBondContact CD2-CB 3.39Å; H173-A181 VanDerWaalsContact CE1-CB 3.5Å; H173-A181 WeakPolarHBondContact CE1-CB 3.49Å; H173-A181 VanDerWaalsContact NE2-CB 3.3Å; H173-A181 WeakPolarHBondContact NE2-CB 3.4Å; E179-A181 PolarHBondContact O-N 2.62Å
182I94.5Very high91.4Very high62 Ų6269.3 Ų69.332%0.31836%0.359SS..EExtended strand (participates in β ladder)trans-101.9136.6176.9-52.5176.4000107.7H171 V172 R180 W184H171-I182 CarbonylContact C-O 3.49Å; H171-I182 WeakPolarHBondContact CA-O 3.5Å; V172-I182 HydrophobicContact CB-CB 4.42Å; V172-I182 PolarHBondContact N-O 3.46Å; V172-I182 PolarHBondContact O-N 3.36Å; R180-I182 PolarHBondContact O-N 3.43Å; I182-W184 HydrophobicContact CG2-CE3 3.9Å; I182-W184 HydrophobicContact CG2-CZ3 3.99Å
183R94.8Very high91.4Very high175 Ų17569.6 Ų69.666%0.6636%0.36SS*.EExtended strand (participates in β ladder)trans-138.6136.6176.1177.7-169.8178.2-152.4-1109.6A169 L170 H171A169-R183 HydrophobicContact CB-CG 4.43Å; L170-R183 WeakPolarHBondContact O-CA 3.43Å; H171-R183 VanDerWaalsContact CE1-CD 3.41Å; H171-R183 WeakPolarHBondContact CE1-CD 3.3Å; H171-R183 PolarHBondContact CE1-NE 3.02Å
184W97Very high91.6Very high31 Ų3168.5 Ų68.512%0.11736%0.355CS..EExtended strand (participates in β ladder)trans-143.2153.6170.765.5100.7000111.5L163 A169 L170 V172 I182 A186 I203 W215 G219L163-W184 HydrophobicContact CD1-CH2 4.39Å; A169-W184 VanDerWaalsContact CA-O 3.3Å; A169-W184 WeakPolarHBondContact CA-O 3.43Å; A169-W184 WeakPolarHBondContact CB-O 3.48Å; L170-W184 HydrophobicContact CB-CD2 4.12Å; L170-W184 HydrophobicContact CB-CE3 4.47Å; L170-W184 HydrophobicContact CB-CH2 4Å; L170-W184 HydrophobicContact CB-CZ2 3.59Å; L170-W184 HydrophobicContact CB-CZ3 4.43Å; L170-W184 HydrophobicContact CD1-CH2 4.5Å; L170-W184 HydrophobicContact CD1-CZ2 3.5Å; L170-W184 VanDerWaalsContact CD1-CZ2 3.5Å; L170-W184 HydrophobicContact CG-CZ2 4.19Å; L170-W184 PolarHBondContact N-O 3.2Å; L170-W184 PolarHBondContact O-N 3.41Å; L170-W184 VanDerWaalsContact O-N 3.14Å; V172-W184 HydrophobicContact CG2-CH2 3.75Å; V172-W184 HydrophobicContact CG2-CZ3 3.76Å; I182-W184 HydrophobicContact CG2-CE3 3.9Å; I182-W184 HydrophobicContact CG2-CZ3 3.99Å; W184-A186 PolarHBondContact O-N 3.43Å; W184-I203 HydrophobicContact CH2-CD1 4.14Å; W184-W215 AromaticContact CD1-CZ3 3.88Å; W184-W215 AromaticContact NE1-CD2 3.76Å; W184-W215 AromaticContact NE1-CE3 3.56Å; W184-W215 AromaticContact NE1-CZ3 3.77Å; W184-G219 VanDerWaalsContact CE2-CA 3.48Å
185K96.9Very high91.7Very high142 Ų14268.3 Ų68.362%0.61736%0.355SS*.EExtended strand (participates in β ladder)trans-76.3115170.6-176175.7-177.8175.20108.6H187K185-H187 VanDerWaalsContact CE-O 3.27Å; K185-H187 WeakPolarHBondContact CE-O 3.31Å
186A97Very high92Very high3 Ų367.6 Ų67.63%0.02535%0.349CS..  trans-93.1-43.2-173.900000111.8N168 L170 W184 L191 K213 W215N168-A186 PolarHBondContact O-N 2.99Å; L170-A186 HydrophobicContact CD1-CB 3.75Å; L170-A186 HydrophobicContact CG-CB 3.76Å; W184-A186 PolarHBondContact O-N 3.43Å; A186-L191 HydrophobicContact CB-CD1 4.24Å; A186-L191 HydrophobicContact CB-CD2 4.41Å; A186-K213 PolarHBondContact O-NZ 3.27Å; A186-W215 HydrophobicContact CB-CH2 4.07Å; A186-W215 HydrophobicContact CB-CZ2 3.6Å; A186-W215 WeakPolarHBondContact O-CH2 3.32Å; A186-W215 WeakPolarHBondContact O-CZ2 3.25Å
187H97.6Very high92.3Very high5 Ų558.5 Ų58.52%0.02331%0.307CS..  trans-131.1171.9-172.3-78.8-100.4000112.9N168 K185 L191 S205 S207 D209 R211N168-H187 PolarHBondContact O-N 3.35Å; K185-H187 VanDerWaalsContact CE-O 3.27Å; K185-H187 WeakPolarHBondContact CE-O 3.31Å; H187-L191 HydrophobicContact CB-CD2 4.34Å; H187-L191 VanDerWaalsContact CD2-CD2 3.44Å; H187-L191 WeakPolarHBondContact CD2-CD2 3.47Å; H187-S205 PolarHBondContact CD2-OG 3.43Å; H187-S205 PolarHBondContact NE2-OG 3.01Å; H187-S207 WeakPolarHBondContact CB-OG 3.41Å; H187-S207 WeakPolarHBondContact ND1-CB 3.34Å; H187-D209 WeakPolarHBondContact CB-OD2 3.4Å; H187-D209 IonicContact CE1-OD1 2.62Å; H187-D209 IonicContact CG-OD2 3.3Å; H187-D209 VanDerWaalsContact ND1-CG 3.35Å; H187-D209 IonicContact ND1-OD1 3.98Å; H187-D209 PolarHBondContact ND1-OD1 3.21Å; H187-D209 IonicContact ND1-OD2 3.37Å; H187-D209 PolarHBondContact ND1-OD2 3.29Å; H187-R211 PolarHBondContact CE1-O 3.1Å; H187-R211 VanDerWaalsContact CE1-O 3.26Å
188A96.2Very high92.6Very high81 Ų8157.6 Ų57.667%0.66929%0.294SS*.SBendtrans-87.5-27.5174.200000112.5D209A188-D209 HydrophobicContact CB-CB 4.18Å; A188-D209 PolarHBondContact N-OD2 2.93Å
189G95.5Very high92.8Very high18 Ų1851 Ų5119%0.18625%0.254CS..SBendtrans-109.9-176.8174.100000112.1N168 S207N168-G189 WeakPolarHBondContact CA-O 2.84Å; N168-G189 VanDerWaalsContact CB-O 3.25Å; N168-G189 WeakPolarHBondContact CB-O 3.34Å; G189-S207 PolarHBondContact O-OG 2.68Å
190A95.5Very high92.6Very high12 Ų1247.4 Ų47.410%0.09924%0.239CC..  trans-64.3145.1177.600000111D167 S207 E208D167-A190 CarbonylContact O-C 3.54Å; D167-A190 WeakPolarHBondContact O-CA 3.49Å; A190-S207 WeakPolarHBondContact O-CA 3.21Å; A190-S207 WeakPolarHBondContact O-CB 3.31Å; A190-S207 PolarHBondContact O-OG 3.02Å; A190-E208 HydrophobicContact CB-CG 4.34Å; A190-E208 PolarHBondContact O-N 3.07Å
191L97.7Very high92.6Very high0 Ų036.5 Ų36.50%020%0.199CC..EExtended strand (participates in β ladder)trans-83.7132.5172.3-73.6165.5000109Y151 C165 D167 A169 L170 A186 H187 A206Y151-L191 WeakPolarHBondContact CD2-O 3.4Å; C165-L191 HydrophobicContact CB-CB 3.64Å; C165-L191 HydrophobicContact CB-CD1 3.6Å; C165-L191 HydrophobicContact CB-CG 4.26Å; D167-L191 WeakPolarHBondContact O-CB 3.16Å; D167-L191 PolarHBondContact O-N 3.45Å; A169-L191 VanDerWaalsContact C-CD1 3.47Å; A169-L191 VanDerWaalsContact O-CD1 3.29Å; A169-L191 WeakPolarHBondContact O-CD1 3.42Å; L170-L191 HydrophobicContact CD2-CD1 3.75Å; L170-L191 HydrophobicContact CG-CD1 3.9Å; A186-L191 HydrophobicContact CB-CD1 4.24Å; A186-L191 HydrophobicContact CB-CD2 4.41Å; H187-L191 HydrophobicContact CB-CD2 4.34Å; H187-L191 VanDerWaalsContact CD2-CD2 3.44Å; H187-L191 WeakPolarHBondContact CD2-CD2 3.47Å; L191-A206 WeakPolarHBondContact CA-O 3.42Å
192L94.6Very high92.6Very high42 Ų4238.2 Ų38.222%0.2220%0.196CC..EExtended strand (participates in β ladder)trans-110.3-31.3-177.6-62-174.9000113.2A206 E208 S231L192-A206 PolarHBondContact N-O 3.03Å; L192-E208 HydrophobicContact CD1-CG 3.87Å; L192-E208 HydrophobicContact CD2-CG 4.03Å; L192-E208 HydrophobicContact CG-CG 4Å; L192-S231 WeakPolarHBondContact CD1-OG 3.37Å
193S95.9Very high92.7Very high9 Ų935.3 Ų35.36%0.06318%0.18CC..EExtended strand (participates in β ladder)trans-153.6145.6-177.6177.10000110.8D152 A206 A233 V235D152-S193 WeakPolarHBondContact OD2-CA 3.5Å; S193-A206 PolarHBondContact O-N 3.18Å; S193-A233 WeakPolarHBondContact CB-O 3.45Å; S193-V235 PolarHBondContact OG-N 2.83Å; S193-V235 PolarHBondContact OG-O 3.34Å
194I97.6Very high92.8Very high6 Ų627 Ų273%0.03115%0.149CC..EExtended strand (participates in β ladder)trans-139.3154.5179.768.7-169.2000109.7D152 V154 L163 C165 L170 V204D152-I194 HydrophobicContact CB-CD1 4.26Å; D152-I194 HydrophobicContact CB-CG1 4Å; D152-I194 WeakPolarHBondContact O-CD1 3.38Å; D152-I194 PolarHBondContact OD2-N 3.33Å; V154-I194 HydrophobicContact CG1-CD1 4.48Å; V154-I194 HydrophobicContact CG1-CG1 4.25Å; L163-I194 HydrophobicContact CD2-CB 4.37Å; L163-I194 HydrophobicContact CD2-CD1 4.1Å; L163-I194 HydrophobicContact CD2-CG1 4.35Å; L163-I194 HydrophobicContact CG-CD1 3.89Å; C165-I194 HydrophobicContact CB-CD1 4.31Å; C165-I194 HydrophobicContact CB-CG2 3.96Å; L170-I194 HydrophobicContact CD2-CG2 3.57Å; I194-V204 VanDerWaalsContact CA-O 3.31Å; I194-V204 WeakPolarHBondContact CA-O 3.33Å
195D95.8Very high92.8Very high30 Ų3025.5 Ų25.516%0.1614%0.143CC..EExtended strand (participates in β ladder)trans-150.7156.9170.3-160.33.2000110.7I203 V204 S236 W237D195-I203 WeakPolarHBondContact O-CA 3.26Å; D195-V204 HydrophobicContact CB-CG1 3.67Å; D195-V204 PolarHBondContact N-O 3.1Å; D195-V204 PolarHBondContact O-N 3.01Å; D195-S236 WeakPolarHBondContact OD2-CA 3.48Å; D195-S236 PolarHBondContact OD2-OG 3.19Å; D195-W237 PolarHBondContact OD2-N 3.14Å
196W93.3Very high92.9Very high11 Ų1118.7 Ų18.74%0.04211%0.114CC..EExtended strand (participates in β ladder)trans-124.5110.6-178.1-156.9-21.5000110V154 S156 P157 R161 L163 V172 S198 G201 I203 E217V154-W196 HydrophobicContact CG1-CB 3.93Å; V154-W196 HydrophobicContact CG2-CB 4.41Å; S156-W196 VanDerWaalsContact CA-CE3 3.49Å; S156-W196 VanDerWaalsContact CB-CZ3 3.41Å; P157-W196 HydrophobicContact CG-CG 4.39Å; R161-W196 HydrophobicContact CB-CH2 4.29Å; R161-W196 HydrophobicContact CB-CZ3 4.45Å; L163-W196 HydrophobicContact CB-CE3 3.59Å; L163-W196 HydrophobicContact CB-CZ3 3.7Å; L163-W196 HydrophobicContact CD2-CE3 4.3Å; V172-W196 HydrophobicContact CG1-CH2 4.07Å; V172-W196 HydrophobicContact CG1-CZ3 4.43Å; W196-S198 PolarHBondContact O-N 2.93Å; W196-G201 PolarHBondContact NE1-O 3.49Å; W196-I203 HydrophobicContact CD2-CD1 4.27Å; W196-I203 HydrophobicContact CD2-CG1 3.92Å; W196-I203 HydrophobicContact CG-CG1 3.9Å; W196-I203 HydrophobicContact CZ2-CD1 4.24Å; W196-E217 HydrophobicContact CZ2-CB 4.28Å; W196-E217 HydrophobicContact CZ2-CG 3.75Å
197N90Very high92.9Very high1 Ų118.6 Ų18.61%0.00511%0.113CC..  trans-64.3119.3-179.3-173.9-44000110.3V199 N200 G201 Y202 W237 G241N197-V199 VanDerWaalsContact C-N 3.27Å; N197-V199 PolarHBondContact O-N 3.23Å; N197-V199 WeakPolarHBondContact OD1-CB 3.36Å; N197-V199 PolarHBondContact OD1-N 3.47Å; N197-N200 WeakPolarHBondContact CB-OD1 3.2Å; N197-N200 VanDerWaalsContact CG-CG 3.48Å; N197-N200 PolarHBondContact ND2-ND2 3.33Å; N197-N200 VanDerWaalsContact ND2-ND2 3.16Å; N197-N200 PolarHBondContact ND2-OD1 2.71Å; N197-N200 PolarHBondContact OD1-N 3.04Å; N197-N200 PolarHBondContact OD1-OD1 3.25Å; N197-G201 VanDerWaalsContact O-CA 3.24Å; N197-G201 WeakPolarHBondContact O-CA 3.4Å; N197-G201 PolarHBondContact O-N 2.93Å; N197-Y202 VanDerWaalsContact CB-O 3.29Å; N197-Y202 WeakPolarHBondContact CB-O 3.18Å; N197-Y202 PolarHBondContact N-O 3.33Å; N197-W237 HydrophobicContact CB-CB 4.44Å; N197-W237 HydrophobicContact CB-CD2 3.83Å; N197-W237 HydrophobicContact CB-CE3 4.49Å; N197-W237 HydrophobicContact CB-CG 3.75Å; N197-W237 VanDerWaalsContact ND2-CE3 3.33Å; N197-G241 VanDerWaalsContact ND2-CA 3.26Å; N197-G241 WeakPolarHBondContact ND2-CA 3.49Å; N197-G241 PolarHBondContact ND2-O 2.85Å
198S80.3Confident92.8Very high16 Ų1623.7 Ų23.711%0.11214%0.137CC..THydrogen-bonded Turntrans-72.6-18.9-175.480.30000115.2W196 V416 F418W196-S198 PolarHBondContact O-N 2.93Å; S198-V416 VanDerWaalsContact CB-O 3.31Å; S198-V416 WeakPolarHBondContact CB-O 3.47Å; S198-F418 VanDerWaalsContact OG-CB 3.25Å; S198-F418 WeakPolarHBondContact OG-CB 3.5Å; S198-F418 WeakPolarHBondContact OG-CD2 3.36Å; S198-F418 PolarHBondContact OG-N 3.46Å; S198-F418 VanDerWaalsContact OG-N 3.16Å
199V78.2Confident92.8Very high13 Ų1321.1 Ų21.18%0.07911%0.112CC..THydrogen-bonded Turntrans-89.9-55.9-173.7176.80000109.6N197 D420 R439N197-V199 VanDerWaalsContact C-N 3.27Å; N197-V199 PolarHBondContact O-N 3.23Å; N197-V199 WeakPolarHBondContact OD1-CB 3.36Å; N197-V199 PolarHBondContact OD1-N 3.47Å; V199-D420 HydrophobicContact CG1-CB 3.82Å; V199-R439 PolarHBondContact O-NH1 3.13Å; V199-R439 PolarHBondContact O-NH2 3.19Å
200N78.7Confident92.9Very high53 Ų5320.3 Ų20.328%0.28310%0.103SC..THydrogen-bonded Turntrans-98.3-8.8-176.263.827.6000114.4N197 Y202N197-N200 WeakPolarHBondContact CB-OD1 3.2Å; N197-N200 VanDerWaalsContact CG-CG 3.48Å; N197-N200 PolarHBondContact ND2-ND2 3.33Å; N197-N200 VanDerWaalsContact ND2-ND2 3.16Å; N197-N200 PolarHBondContact ND2-OD1 2.71Å; N197-N200 PolarHBondContact OD1-N 3.04Å; N197-N200 PolarHBondContact OD1-OD1 3.25Å; N200-Y202 VanDerWaalsContact C-N 3.26Å; N200-Y202 HydrophobicContact CB-CD2 4.32Å; N200-Y202 HydrophobicContact CB-CE2 4.38Å; N200-Y202 HydrophobicContact CB-CG 4.44Å; N200-Y202 VanDerWaalsContact CG-CD2 3.49Å; N200-Y202 WeakPolarHBondContact ND2-CD2 3.11Å; N200-Y202 PolarHBondContact O-N 3.37Å; N200-Y202 WeakPolarHBondContact OD1-CB 3.35Å; N200-Y202 VanDerWaalsContact OD1-CG 3.27Å; N200-Y202 PolarHBondContact OD1-N 2.85Å
201G85.2Confident93Very high5 Ų524.2 Ų24.25%0.05212%0.115CC..  trans75.98.1-179.200000114.5W196 N197 E217W196-G201 PolarHBondContact NE1-O 3.49Å; N197-G201 VanDerWaalsContact O-CA 3.24Å; N197-G201 WeakPolarHBondContact O-CA 3.4Å; N197-G201 PolarHBondContact O-N 2.93Å; G201-E217 VanDerWaalsContact O-CG 3.28Å; G201-E217 WeakPolarHBondContact O-CG 3.38Å
202Y91.5Very high92.9Very high88 Ų8824.3 Ų24.335%0.34512%0.116SC..  trans-74.7142.6177.4-61.9-16.9000111.7N197 N200 I214 W215 L222N197-Y202 VanDerWaalsContact CB-O 3.29Å; N197-Y202 WeakPolarHBondContact CB-O 3.18Å; N197-Y202 PolarHBondContact N-O 3.33Å; N200-Y202 VanDerWaalsContact C-N 3.26Å; N200-Y202 HydrophobicContact CB-CD2 4.32Å; N200-Y202 HydrophobicContact CB-CE2 4.38Å; N200-Y202 HydrophobicContact CB-CG 4.44Å; N200-Y202 VanDerWaalsContact CG-CD2 3.49Å; N200-Y202 WeakPolarHBondContact ND2-CD2 3.11Å; N200-Y202 PolarHBondContact O-N 3.37Å; N200-Y202 WeakPolarHBondContact OD1-CB 3.35Å; N200-Y202 VanDerWaalsContact OD1-CG 3.27Å; N200-Y202 PolarHBondContact OD1-N 2.85Å; Y202-I214 HydrophobicContact CD2-CG2 4.24Å; Y202-I214 HydrophobicContact CG-CG2 4.27Å; Y202-W215 WeakPolarHBondContact CA-O 3.42Å; Y202-L222 HydrophobicContact CD1-CD1 3.64Å; Y202-L222 HydrophobicContact CD2-CD1 4.14Å; Y202-L222 HydrophobicContact CE1-CD1 3.53Å; Y202-L222 HydrophobicContact CE2-CD1 4.06Å; Y202-L222 HydrophobicContact CG-CD1 3.95Å
203I96.2Very high93.1Very high0 Ų024 Ų240%011%0.113CC..EExtended strand (participates in β ladder)trans-101.7137.6177.1-65.4167.3000107.9L163 L170 W184 D195 W196 I214 W215L163-I203 HydrophobicContact CD1-CD1 4.2Å; L163-I203 HydrophobicContact CD2-CB 4.33Å; L163-I203 HydrophobicContact CD2-CD1 4.08Å; L163-I203 HydrophobicContact CD2-CG1 4.02Å; L163-I203 HydrophobicContact CD2-CG2 3.42Å; L163-I203 VanDerWaalsContact CD2-CG2 3.42Å; L170-I203 HydrophobicContact CD1-CG2 4.31Å; W184-I203 HydrophobicContact CH2-CD1 4.14Å; D195-I203 WeakPolarHBondContact O-CA 3.26Å; W196-I203 HydrophobicContact CD2-CD1 4.27Å; W196-I203 HydrophobicContact CD2-CG1 3.92Å; W196-I203 HydrophobicContact CG-CG1 3.9Å; W196-I203 HydrophobicContact CZ2-CD1 4.24Å; I203-I214 CarbonylContact O-C 3.58Å; I203-I214 VanDerWaalsContact O-CA 3.28Å; I203-I214 WeakPolarHBondContact O-CA 3.39Å; I203-W215 HydrophobicContact CB-CB 4.27Å; I203-W215 PolarHBondContact N-O 2.87Å; I203-W215 PolarHBondContact O-N 2.89Å
204V97.4Very high93.1Very high0 Ų023.7 Ų23.70%011%0.11CC..EExtended strand (participates in β ladder)trans-112.8145.2168.366.60000110.1I194 D195 K213 I214 V235 W237 L244I194-V204 VanDerWaalsContact CA-O 3.31Å; I194-V204 WeakPolarHBondContact CA-O 3.33Å; D195-V204 HydrophobicContact CB-CG1 3.67Å; D195-V204 PolarHBondContact N-O 3.1Å; D195-V204 PolarHBondContact O-N 3.01Å; V204-K213 CarbonylContact C-O 3.54Å; V204-K213 VanDerWaalsContact CA-O 3.31Å; V204-K213 WeakPolarHBondContact CA-O 3.31Å; V204-K213 WeakPolarHBondContact CG2-O 3.39Å; V204-I214 HydrophobicContact CG2-CG1 4.38Å; V204-V235 HydrophobicContact CG1-CB 3.96Å; V204-V235 HydrophobicContact CG1-CG2 3.8Å; V204-V235 HydrophobicContact CG2-CB 4.06Å; V204-V235 HydrophobicContact CG2-CG1 4.05Å; V204-V235 HydrophobicContact CG2-CG2 4.18Å; V204-W237 HydrophobicContact CB-CZ2 4.16Å; V204-W237 VanDerWaalsContact CG1-NE1 3.3Å; V204-L244 HydrophobicContact CB-CD1 4.22Å; V204-L244 HydrophobicContact CG1-CD1 3.89Å; V204-L244 HydrophobicContact CG2-CD1 3.92Å; V204-L244 HydrophobicContact CG2-CD2 3.74Å; V204-L244 HydrophobicContact CG2-CG 4.5Å
205S98.1Very high93Very high0 Ų024 Ų240%011%0.111CC..EExtended strand (participates in β ladder)trans-135.4143.1174.463.60000111.7H187 Y212 K213 W215H187-S205 PolarHBondContact CD2-OG 3.43Å; H187-S205 PolarHBondContact NE2-OG 3.01Å; S205-Y212 CarbonylContact O-C 3.52Å; S205-Y212 WeakPolarHBondContact O-CA 3.47Å; S205-Y212 WeakPolarHBondContact O-CB 3.47Å; S205-K213 PolarHBondContact N-O 3.07Å; S205-K213 PolarHBondContact O-N 2.94Å; S205-W215 PolarHBondContact OG-NE1 3.45Å
206A97.5Very high92.8Very high0 Ų024.4 Ų24.40%011%0.113CC..EExtended strand (participates in β ladder)trans-120.3144.7177.400000111.3L191 L192 S193 V232 V235L191-A206 WeakPolarHBondContact CA-O 3.42Å; L192-A206 PolarHBondContact N-O 3.03Å; S193-A206 PolarHBondContact O-N 3.18Å; A206-V232 HydrophobicContact CB-CB 3.96Å; A206-V232 HydrophobicContact CB-CG1 3.62Å; A206-V232 WeakPolarHBondContact CB-O 3.22Å; A206-V235 HydrophobicContact CB-CB 4.36Å; A206-V235 HydrophobicContact CB-CG1 3.77Å; A206-V235 HydrophobicContact CB-CG2 3.77Å
207S97.6Very high92.6Very high0 Ų026.4 Ų26.40%012%0.123CC..EExtended strand (participates in β ladder)trans-145157.8-172.8-179.50000114.5H187 G189 A190 D209 G210 R211 V232H187-S207 WeakPolarHBondContact CB-OG 3.41Å; H187-S207 WeakPolarHBondContact ND1-CB 3.34Å; G189-S207 PolarHBondContact O-OG 2.68Å; A190-S207 WeakPolarHBondContact O-CA 3.21Å; A190-S207 WeakPolarHBondContact O-CB 3.31Å; A190-S207 PolarHBondContact O-OG 3.02Å; S207-D209 WeakPolarHBondContact CB-OD1 3.45Å; S207-D209 PolarHBondContact O-N 3.47Å; S207-D209 PolarHBondContact OG-N 3.39Å; S207-G210 PolarHBondContact O-N 3.32Å; S207-G210 VanDerWaalsContact O-N 3.15Å; S207-R211 PolarHBondContact N-O 3.01Å; S207-V232 PolarHBondContact O-N 3.38Å
208E96.6Very high92.5Very high112 Ų11232.1 Ų32.152%0.52315%0.153SC..THydrogen-bonded Turntrans-59.3-19166.5-64.6-175.1157.900114.3A190 L192 G210 S231A190-E208 HydrophobicContact CB-CG 4.34Å; A190-E208 PolarHBondContact O-N 3.07Å; L192-E208 HydrophobicContact CD1-CG 3.87Å; L192-E208 HydrophobicContact CD2-CG 4.03Å; L192-E208 HydrophobicContact CG-CG 4Å; E208-G210 PolarHBondContact O-N 2.9Å; E208-S231 WeakPolarHBondContact CA-OG 3.48Å
209D96.5Very high93.1Very high28 Ų2832 Ų3215%0.1516%0.155CC..THydrogen-bonded Turntrans-69.3-0.1172.972.78.2000114H187 A188 S207 R211 N227H187-D209 WeakPolarHBondContact CB-OD2 3.4Å; H187-D209 IonicContact CE1-OD1 2.62Å; H187-D209 IonicContact CG-OD2 3.3Å; H187-D209 VanDerWaalsContact ND1-CG 3.35Å; H187-D209 IonicContact ND1-OD1 3.98Å; H187-D209 PolarHBondContact ND1-OD1 3.21Å; H187-D209 IonicContact ND1-OD2 3.37Å; H187-D209 PolarHBondContact ND1-OD2 3.29Å; A188-D209 HydrophobicContact CB-CB 4.18Å; A188-D209 PolarHBondContact N-OD2 2.93Å; S207-D209 WeakPolarHBondContact CB-OD1 3.45Å; S207-D209 PolarHBondContact O-N 3.47Å; S207-D209 PolarHBondContact OG-N 3.39Å; D209-R211 WeakPolarHBondContact OD1-CB 3.21Å; D209-R211 PolarHBondContact OD1-N 3.45Å; D209-N227 PolarHBondContact O-ND2 2.87Å; D209-N227 PolarHBondContact O-OD1 3.02Å
210G96.2Very high93.8Very high0 Ų038.1 Ų38.10%018%0.181CC..SBendtrans73.629.3178.300000113.8S207 E208 N227 V228 S230S207-G210 PolarHBondContact O-N 3.32Å; S207-G210 VanDerWaalsContact O-N 3.15Å; E208-G210 PolarHBondContact O-N 2.9Å; G210-N227 CarbonylContact O-C 3.59Å; G210-N227 VanDerWaalsContact O-CA 3.31Å; G210-N227 WeakPolarHBondContact O-CA 3.47Å; G210-N227 PolarHBondContact O-OD1 3.02Å; G210-V228 WeakPolarHBondContact O-CG2 3.39Å; G210-V228 PolarHBondContact O-N 3.4Å; G210-S230 WeakPolarHBondContact CA-O 3.33Å
211R97.4Very high94.5Very high95 Ų9537.9 Ų37.936%0.35819%0.186SC..  trans-128.9153.6175.1-54.8-176.7-174.1-1522.1111.2H187 S207 D209 S225 N227H187-R211 PolarHBondContact CE1-O 3.1Å; H187-R211 VanDerWaalsContact CE1-O 3.26Å; S207-R211 PolarHBondContact N-O 3.01Å; D209-R211 WeakPolarHBondContact OD1-CB 3.21Å; D209-R211 PolarHBondContact OD1-N 3.45Å; R211-S225 WeakPolarHBondContact CA-OG 3.37Å; R211-N227 HydrophobicContact CG-CB 4.37Å
212Y96.9Very high94.8Very high1 Ų141.3 Ų41.30%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-113.4150.9157.165.3-83.6000109.7S205 Y223 S225 L244 V246 C255 G259S205-Y212 CarbonylContact O-C 3.52Å; S205-Y212 WeakPolarHBondContact O-CA 3.47Å; S205-Y212 WeakPolarHBondContact O-CB 3.47Å; Y212-Y223 HydrophobicContact CD2-CD1 4.48Å; Y212-Y223 HydrophobicContact CD2-CE1 4.23Å; Y212-Y223 HydrophobicContact CE2-CD1 4.03Å; Y212-Y223 AromaticContact CE2-CE1 3.48Å; Y212-Y223 HydrophobicContact CE2-CE1 3.48Å; Y212-Y223 VanDerWaalsContact CE2-CE1 3.48Å; Y212-Y223 AromaticContact CZ-CE1 3.81Å; Y212-Y223 PolarHBondContact OH-OH 3.23Å; Y212-S225 VanDerWaalsContact CD1-CB 3.47Å; Y212-S225 WeakPolarHBondContact CD1-OG 3.23Å; Y212-S225 PolarHBondContact N-OG 3.05Å; Y212-S225 WeakPolarHBondContact O-CB 3.33Å; Y212-S225 PolarHBondContact O-N 3.5Å; Y212-S225 PolarHBondContact O-OG 3.5Å; Y212-L244 HydrophobicContact CD2-CD2 3.95Å; Y212-L244 HydrophobicContact CE2-CD2 4Å; Y212-V246 HydrophobicContact CD1-CG1 3.76Å; Y212-V246 HydrophobicContact CD1-CG2 4.27Å; Y212-V246 HydrophobicContact CD2-CG2 4.34Å; Y212-V246 HydrophobicContact CE1-CG1 4.2Å; Y212-V246 HydrophobicContact CE1-CG2 4.28Å; Y212-V246 HydrophobicContact CE2-CG2 4.34Å; Y212-V246 HydrophobicContact CG-CG1 4.24Å; Y212-V246 HydrophobicContact CG-CG2 4.31Å; Y212-C255 PolarHBondContact OH-SG 3.46Å; Y212-C255 VanDerWaalsContact OH-SG 3.38Å; Y212-G259 PolarHBondContact OH-O 3.09Å
213K97.4Very high94.9Very high36 Ų3639.7 Ų39.716%0.15720%0.196CC..EExtended strand (participates in β ladder)trans-135.2147.6-179.1-68.4-178.4177.61780110.4A186 V204 S205 W215 Y223 T224A186-K213 PolarHBondContact O-NZ 3.27Å; V204-K213 CarbonylContact C-O 3.54Å; V204-K213 VanDerWaalsContact CA-O 3.31Å; V204-K213 WeakPolarHBondContact CA-O 3.31Å; V204-K213 WeakPolarHBondContact CG2-O 3.39Å; S205-K213 PolarHBondContact N-O 3.07Å; S205-K213 PolarHBondContact O-N 2.94Å; K213-W215 HydrophobicContact CB-CZ2 3.61Å; K213-W215 HydrophobicContact CD-CH2 3.73Å; K213-W215 HydrophobicContact CD-CZ2 3.31Å; K213-W215 HydrophobicContact CG-CZ2 4.11Å; K213-Y223 WeakPolarHBondContact CA-O 3.36Å; K213-Y223 WeakPolarHBondContact CB-O 3.41Å; K213-T224 HydrophobicContact CD-CG2 4.33Å; K213-T224 HydrophobicContact CG-CG2 4.03Å
214I96.8Very high94.9Very high2 Ų242.2 Ų42.21%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-111.8138.7173.3-56.1172000108.1Y202 I203 V204 L222 Y223 W237 L244 G259Y202-I214 HydrophobicContact CD2-CG2 4.24Å; Y202-I214 HydrophobicContact CG-CG2 4.27Å; I203-I214 CarbonylContact O-C 3.58Å; I203-I214 VanDerWaalsContact O-CA 3.28Å; I203-I214 WeakPolarHBondContact O-CA 3.39Å; V204-I214 HydrophobicContact CG2-CG1 4.38Å; I214-L222 HydrophobicContact CG2-CB 4.46Å; I214-L222 HydrophobicContact CG2-CD1 4.44Å; I214-L222 PolarHBondContact O-N 3.04Å; I214-Y223 HydrophobicContact CD1-CD1 4.38Å; I214-Y223 HydrophobicContact CG1-CD1 4.44Å; I214-Y223 PolarHBondContact N-O 3.09Å; I214-Y223 VanDerWaalsContact N-O 3.08Å; I214-Y223 PolarHBondContact O-N 2.78Å; I214-Y223 VanDerWaalsContact O-N 3.14Å; I214-W237 HydrophobicContact CD1-CH2 3.91Å; I214-W237 HydrophobicContact CD1-CZ2 4.09Å; I214-W237 HydrophobicContact CG1-CZ2 4.23Å; I214-W237 HydrophobicContact CG2-CZ2 4.28Å; I214-L244 HydrophobicContact CD1-CD2 4.45Å; I214-G259 VanDerWaalsContact CD1-CA 3.45Å
215W95.8Very high94.7Very high12 Ų1242.3 Ų42.35%0.04521%0.213CC..EExtended strand (participates in β ladder)trans-132.6156.6-173.6-44.183.6000110.4W184 A186 Y202 I203 S205 K213 K220 A221W184-W215 AromaticContact CD1-CZ3 3.88Å; W184-W215 AromaticContact NE1-CD2 3.76Å; W184-W215 AromaticContact NE1-CE3 3.56Å; W184-W215 AromaticContact NE1-CZ3 3.77Å; A186-W215 HydrophobicContact CB-CH2 4.07Å; A186-W215 HydrophobicContact CB-CZ2 3.6Å; A186-W215 WeakPolarHBondContact O-CH2 3.32Å; A186-W215 WeakPolarHBondContact O-CZ2 3.25Å; Y202-W215 WeakPolarHBondContact CA-O 3.42Å; I203-W215 HydrophobicContact CB-CB 4.27Å; I203-W215 PolarHBondContact N-O 2.87Å; I203-W215 PolarHBondContact O-N 2.89Å; S205-W215 PolarHBondContact OG-NE1 3.45Å; K213-W215 HydrophobicContact CB-CZ2 3.61Å; K213-W215 HydrophobicContact CD-CH2 3.73Å; K213-W215 HydrophobicContact CD-CZ2 3.31Å; K213-W215 HydrophobicContact CG-CZ2 4.11Å; W215-K220 VanDerWaalsContact CA-O 3.27Å; W215-K220 WeakPolarHBondContact CA-O 3.47Å; W215-A221 HydrophobicContact CE3-CB 3.77Å; W215-A221 HydrophobicContact CH2-CB 4.29Å; W215-A221 HydrophobicContact CZ3-CB 3.63Å
216N90.7Very high94.5Very high40 Ų4049 Ų4921%0.21425%0.248CC..  trans-82.7171.2157.274.13.2000110.7N218 G219 K220 L222N216-N218 PolarHBondContact O-N 3.29Å; N216-N218 VanDerWaalsContact O-N 3.08Å; N216-N218 PolarHBondContact OD1-N 3.12Å; N216-N218 VanDerWaalsContact OD1-N 3.14Å; N216-G219 PolarHBondContact O-N 3.09Å; N216-G219 PolarHBondContact OD1-N 3.29Å; N216-K220 PolarHBondContact N-O 3.33Å; N216-K220 VanDerWaalsContact OD1-CB 3.29Å; N216-K220 WeakPolarHBondContact OD1-CB 3.23Å; N216-K220 PolarHBondContact OD1-N 3.25Å; N216-L222 HydrophobicContact CB-CD1 4.32Å
217E89Confident94.3Very high53 Ų5352.7 Ų52.725%0.24827%0.268CS..THydrogen-bonded Turntrans-61.6-19.3-178.9-53.7-171.9174.400114.2R161 W196 G201 G219R161-E217 IonicContact CZ-OE2 3.34Å; R161-E217 IonicContact NH1-OE2 3.22Å; R161-E217 PolarHBondContact NH1-OE2 3.23Å; R161-E217 VanDerWaalsContact NH1-OE2 3.12Å; R161-E217 IonicContact NH2-OE2 2.95Å; R161-E217 PolarHBondContact NH2-OE2 3.34Å; W196-E217 HydrophobicContact CZ2-CB 4.28Å; W196-E217 HydrophobicContact CZ2-CG 3.75Å; G201-E217 VanDerWaalsContact O-CG 3.28Å; G201-E217 WeakPolarHBondContact O-CG 3.38Å; E217-G219 VanDerWaalsContact C-N 3.35Å
218N88.8Confident94.1Very high120 Ų12054 Ų5464%0.64228%0.276SS*.THydrogen-bonded Turntrans-91.95.3-179.8-62.5-24.6000112.9N216N216-N218 PolarHBondContact O-N 3.29Å; N216-N218 VanDerWaalsContact O-N 3.08Å; N216-N218 PolarHBondContact OD1-N 3.12Å; N216-N218 VanDerWaalsContact OD1-N 3.14Å
219G91.6Very high93.9Very high15 Ų1558 Ų5816%0.15529%0.292CS..SBendtrans80.913.6178.700000115.3W184 N216 E217W184-G219 VanDerWaalsContact CE2-CA 3.48Å; N216-G219 PolarHBondContact O-N 3.09Å; N216-G219 PolarHBondContact OD1-N 3.29Å; E217-G219 VanDerWaalsContact C-N 3.35Å
220K94Very high93.7Very high141 Ų14157.4 Ų57.461%0.61329%0.29SS*.  trans-77.8124.2169.9-176-174.2175.4-176.40109.2W215 N216 L222W215-K220 VanDerWaalsContact CA-O 3.27Å; W215-K220 WeakPolarHBondContact CA-O 3.47Å; N216-K220 PolarHBondContact N-O 3.33Å; N216-K220 VanDerWaalsContact OD1-CB 3.29Å; N216-K220 WeakPolarHBondContact OD1-CB 3.23Å; N216-K220 PolarHBondContact OD1-N 3.25Å; K220-L222 PolarHBondContact O-N 3.21Å
221A94.3Very high93.6Very high47 Ų4758.8 Ų58.839%0.38830%0.299SS..EExtended strand (participates in β ladder)trans-66.7124172.500000110.3W215W215-A221 HydrophobicContact CE3-CB 3.77Å; W215-A221 HydrophobicContact CH2-CB 4.29Å; W215-A221 HydrophobicContact CZ3-CB 3.63Å
222L91.3Very high93.6Very high78 Ų7854.2 Ų54.241%0.40828%0.282SS..EExtended strand (participates in β ladder)trans-95.1-34.8172.6-58.3179.6000110.9Y202 I214 N216 K220Y202-L222 HydrophobicContact CD1-CD1 3.64Å; Y202-L222 HydrophobicContact CD2-CD1 4.14Å; Y202-L222 HydrophobicContact CE1-CD1 3.53Å; Y202-L222 HydrophobicContact CE2-CD1 4.06Å; Y202-L222 HydrophobicContact CG-CD1 3.95Å; I214-L222 HydrophobicContact CG2-CB 4.46Å; I214-L222 HydrophobicContact CG2-CD1 4.44Å; I214-L222 PolarHBondContact O-N 3.04Å; N216-L222 HydrophobicContact CB-CD1 4.32Å; K220-L222 PolarHBondContact O-N 3.21Å
223Y93.4Very high93.4Very high53 Ų5354.7 Ų54.721%0.20829%0.286CS..EExtended strand (participates in β ladder)trans-145149.7179.8178.8-97.8000111.3Y212 K213 I214 S258 G259Y212-Y223 HydrophobicContact CD2-CD1 4.48Å; Y212-Y223 HydrophobicContact CD2-CE1 4.23Å; Y212-Y223 HydrophobicContact CE2-CD1 4.03Å; Y212-Y223 AromaticContact CE2-CE1 3.48Å; Y212-Y223 HydrophobicContact CE2-CE1 3.48Å; Y212-Y223 VanDerWaalsContact CE2-CE1 3.48Å; Y212-Y223 AromaticContact CZ-CE1 3.81Å; Y212-Y223 PolarHBondContact OH-OH 3.23Å; K213-Y223 WeakPolarHBondContact CA-O 3.36Å; K213-Y223 WeakPolarHBondContact CB-O 3.41Å; I214-Y223 HydrophobicContact CD1-CD1 4.38Å; I214-Y223 HydrophobicContact CG1-CD1 4.44Å; I214-Y223 PolarHBondContact N-O 3.09Å; I214-Y223 VanDerWaalsContact N-O 3.08Å; I214-Y223 PolarHBondContact O-N 2.78Å; I214-Y223 VanDerWaalsContact O-N 3.14Å; Y223-S258 WeakPolarHBondContact CB-O 3.38Å; Y223-G259 WeakPolarHBondContact CE1-O 3.42Å; Y223-G259 VanDerWaalsContact CZ-O 3.23Å; Y223-G259 PolarHBondContact OH-O 2.87Å; Y223-G259 VanDerWaalsContact OH-O 3.13Å
224T94.8Very high93.3Very high54 Ų5453.1 Ų53.133%0.33128%0.28SS..EExtended strand (participates in β ladder)trans-139.1122.3169.9-67.40000109K213K213-T224 HydrophobicContact CD-CG2 4.33Å; K213-T224 HydrophobicContact CG-CG2 4.03Å
225S95Very high93.3Very high2 Ų253.2 Ų53.21%0.01428%0.28CS..PPolyproline II helixtrans-68.1157.6178.980.10000112R211 Y212R211-S225 WeakPolarHBondContact CA-OG 3.37Å; Y212-S225 VanDerWaalsContact CD1-CB 3.47Å; Y212-S225 WeakPolarHBondContact CD1-OG 3.23Å; Y212-S225 PolarHBondContact N-OG 3.05Å; Y212-S225 WeakPolarHBondContact O-CB 3.33Å; Y212-S225 PolarHBondContact O-N 3.5Å; Y212-S225 PolarHBondContact O-OG 3.5Å
226N93.3Very high93.3Very high140 Ų14053.5 Ų53.575%0.74928%0.284SS*.PPolyproline II helixtrans-59.9151.2160.9-68.8-29.9000110.1V228N226-V228 PolarHBondContact O-N 3.08Å
227N93.3Very high93.4Very high77 Ų7752.2 Ų52.241%0.41228%0.276SS..PPolyproline II helixtrans-70.7120177.8-169.9-26.8000109.8D209 G210 R211 K229D209-N227 PolarHBondContact O-ND2 2.87Å; D209-N227 PolarHBondContact O-OD1 3.02Å; G210-N227 CarbonylContact O-C 3.59Å; G210-N227 VanDerWaalsContact O-CA 3.31Å; G210-N227 WeakPolarHBondContact O-CA 3.47Å; G210-N227 PolarHBondContact O-OD1 3.02Å; R211-N227 HydrophobicContact CG-CB 4.37Å; N227-K229 PolarHBondContact O-N 3.04Å; N227-K229 WeakPolarHBondContact OD1-CA 3.15Å; N227-K229 PolarHBondContact OD1-N 3.37Å
228V92.4Very high93.3Very high27 Ų2749.9 Ų49.916%0.16427%0.266CS..  trans-825.6179.3-58.50000113.6G210 N226 S230 V232 F248G210-V228 WeakPolarHBondContact O-CG2 3.39Å; G210-V228 PolarHBondContact O-N 3.4Å; N226-V228 PolarHBondContact O-N 3.08Å; V228-S230 WeakPolarHBondContact CG2-O 3.38Å; V228-S230 PolarHBondContact O-N 3.19Å; V228-S230 PolarHBondContact O-OG 2.88Å; V228-V232 HydrophobicContact CG2-CG2 3.85Å; V228-F248 HydrophobicContact CB-CD2 4.06Å; V228-F248 HydrophobicContact CB-CE2 4.18Å; V228-F248 HydrophobicContact CG1-CD2 4.48Å; V228-F248 HydrophobicContact CG1-CE2 4.33Å; V228-F248 HydrophobicContact CG1-CZ 4.44Å; V228-F248 HydrophobicContact CG2-CB 4.23Å; V228-F248 HydrophobicContact CG2-CD2 3.93Å; V228-F248 HydrophobicContact CG2-CG 4.07Å
229K92.3Very high93Very high197 Ų19744.7 Ų44.786%0.85724%0.239SC*.SBendtrans59.818.5179.5-57-178.2-179.7177.90114.4N227N227-K229 PolarHBondContact O-N 3.04Å; N227-K229 WeakPolarHBondContact OD1-CA 3.15Å; N227-K229 PolarHBondContact OD1-N 3.37Å
230S93.2Very high92.2Very high15 Ų1545.7 Ų45.711%0.10524%0.241CC..SBendtrans-155.6161.6179.559.80000109.3G210 V228 V232 Q249G210-S230 WeakPolarHBondContact CA-O 3.33Å; V228-S230 WeakPolarHBondContact CG2-O 3.38Å; V228-S230 PolarHBondContact O-N 3.19Å; V228-S230 PolarHBondContact O-OG 2.88Å; S230-V232 PolarHBondContact O-N 3.02Å; S230-Q249 WeakPolarHBondContact OG-CG 3.1Å; S230-Q249 PolarHBondContact OG-OE1 3.5Å
231S94Very high91.7Very high29 Ų2939 Ų3920%0.20321%0.212CC..  trans-64.1135.1-179.5-171.60000111.4L192 E208 A233 F248L192-S231 WeakPolarHBondContact CD1-OG 3.37Å; E208-S231 WeakPolarHBondContact CA-OG 3.48Å; S231-A233 PolarHBondContact O-N 3.47Å; S231-F248 WeakPolarHBondContact O-CB 3.37Å
232V96.7Very high91.1Very high0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-85.1107.4167.2-173.10000107.2A206 S207 V228 S230 V235 V246 F248A206-V232 HydrophobicContact CB-CB 3.96Å; A206-V232 HydrophobicContact CB-CG1 3.62Å; A206-V232 WeakPolarHBondContact CB-O 3.22Å; S207-V232 PolarHBondContact O-N 3.38Å; V228-V232 HydrophobicContact CG2-CG2 3.85Å; S230-V232 PolarHBondContact O-N 3.02Å; V232-V235 HydrophobicContact CG1-CG1 4.35Å; V232-V246 HydrophobicContact CG1-CG1 3.5Å; V232-V246 VanDerWaalsContact CG1-CG1 3.5Å; V232-F248 HydrophobicContact CG2-CB 4.45Å
233A94Very high91Very high10 Ų1036.4 Ų36.48%0.08319%0.189CC..EExtended strand (participates in β ladder)trans-79.1-40.8-170.500000112.4S193 S231 G247 V272S193-A233 WeakPolarHBondContact CB-O 3.45Å; S231-A233 PolarHBondContact O-N 3.47Å; A233-G247 PolarHBondContact N-O 3.11Å; A233-V272 WeakPolarHBondContact CB-O 3.43Å
234S94.8Very high91Very high4 Ų433.9 Ų33.93%0.02818%0.18CC..EExtended strand (participates in β ladder)trans-148.2143.8-172.7-175.60000112.8G247 V275S234-G247 PolarHBondContact N-O 2.91Å; S234-G247 PolarHBondContact O-N 3.28Å; S234-V275 PolarHBondContact OG-N 3.32Å
235V96.7Very high91Very high4 Ų431.3 Ų31.32%0.02416%0.164CC..EExtended strand (participates in β ladder)trans-133.2140.9174.2-78.60000109.4S193 V204 A206 V232 L244 A245 V246S193-V235 PolarHBondContact OG-N 2.83Å; S193-V235 PolarHBondContact OG-O 3.34Å; V204-V235 HydrophobicContact CG1-CB 3.96Å; V204-V235 HydrophobicContact CG1-CG2 3.8Å; V204-V235 HydrophobicContact CG2-CB 4.06Å; V204-V235 HydrophobicContact CG2-CG1 4.05Å; V204-V235 HydrophobicContact CG2-CG2 4.18Å; A206-V235 HydrophobicContact CB-CB 4.36Å; A206-V235 HydrophobicContact CB-CG1 3.77Å; A206-V235 HydrophobicContact CB-CG2 3.77Å; V232-V235 HydrophobicContact CG1-CG1 4.35Å; V235-L244 HydrophobicContact CB-CD1 4.21Å; V235-A245 WeakPolarHBondContact CA-O 3.46Å; V235-V246 HydrophobicContact CG1-CB 4.45Å; V235-V246 HydrophobicContact CG1-CG1 4.08Å; V235-V246 HydrophobicContact CG1-CG2 4.18Å
236S95Very high91.1Very high18 Ų1831.2 Ų31.213%0.12616%0.163CC..EExtended strand (participates in β ladder)trans-150.9130174.1-173.20000111.9D195 A245 W277D195-S236 WeakPolarHBondContact OD2-CA 3.48Å; D195-S236 PolarHBondContact OD2-OG 3.19Å; S236-A245 PolarHBondContact N-O 2.98Å; S236-A245 PolarHBondContact O-N 3.06Å; S236-W277 PolarHBondContact O-NE1 3.42Å
237W93.1Very high91.1Very high12 Ų1224.6 Ų24.65%0.04513%0.128CC..EExtended strand (participates in β ladder)trans-72.9138.5173.3-76.4113.6000110.7D195 N197 V204 I214 F243 L244 W277D195-W237 PolarHBondContact OD2-N 3.14Å; N197-W237 HydrophobicContact CB-CB 4.44Å; N197-W237 HydrophobicContact CB-CD2 3.83Å; N197-W237 HydrophobicContact CB-CE3 4.49Å; N197-W237 HydrophobicContact CB-CG 3.75Å; N197-W237 VanDerWaalsContact ND2-CE3 3.33Å; V204-W237 HydrophobicContact CB-CZ2 4.16Å; V204-W237 VanDerWaalsContact CG1-NE1 3.3Å; I214-W237 HydrophobicContact CD1-CH2 3.91Å; I214-W237 HydrophobicContact CD1-CZ2 4.09Å; I214-W237 HydrophobicContact CG1-CZ2 4.23Å; I214-W237 HydrophobicContact CG2-CZ2 4.28Å; W237-F243 VanDerWaalsContact CE3-O 3.24Å; W237-L244 HydrophobicContact CD2-CD1 4.15Å; W237-L244 HydrophobicContact CE3-CB 3.92Å; W237-L244 HydrophobicContact CE3-CD1 4.37Å; W237-L244 HydrophobicContact CH2-CB 3.96Å; W237-L244 HydrophobicContact CH2-CD2 4.41Å; W237-L244 HydrophobicContact CZ2-CD1 4.48Å; W237-L244 HydrophobicContact CZ3-CB 3.58Å; W237-W277 VanDerWaalsContact O-CD1 3.26Å
238S88Confident91.2Very high4 Ų421.2 Ų21.23%0.02811%0.109CC..  trans-63.2149.8167.662.90000109.9D240 G241 H242 F243S238-D240 VanDerWaalsContact C-N 3.28Å; S238-D240 VanDerWaalsContact CB-OD1 3.31Å; S238-D240 WeakPolarHBondContact CB-OD1 3Å; S238-D240 PolarHBondContact O-N 3.49Å; S238-D240 PolarHBondContact OG-OD1 3.24Å; S238-G241 WeakPolarHBondContact O-CA 3.2Å; S238-G241 PolarHBondContact O-N 2.93Å; S238-H242 PolarHBondContact OG-N 3.49Å; S238-F243 WeakPolarHBondContact CB-O 3.28Å; S238-F243 PolarHBondContact N-O 3.43Å; S238-F243 PolarHBondContact OG-N 3.22Å; S238-F243 PolarHBondContact OG-O 3.27Å; S238-F243 VanDerWaalsContact OG-O 3.11Å
239P81.5Confident91.1Very high12 Ų1224.2 Ų24.28%0.07812%0.122CC..THydrogen-bonded Turntrans-51.6-44.2177.3-32.137.9000113.6G241 W277 S278 F418P239-G241 PolarHBondContact O-N 2.78Å; P239-W277 HydrophobicContact CG-CB 4.4Å; P239-S278 VanDerWaalsContact CG-O 3.27Å; P239-S278 WeakPolarHBondContact CG-O 2.93Å; P239-F418 HydrophobicContact CB-CB 4.47Å; P239-F418 HydrophobicContact CB-CD1 3.53Å; P239-F418 HydrophobicContact CB-CE1 3.7Å; P239-F418 HydrophobicContact CB-CG 4.02Å; P239-F418 HydrophobicContact CB-CZ 4.35Å; P239-F418 HydrophobicContact CG-CD1 4.43Å; P239-F418 HydrophobicContact CG-CE1 4.12Å; P239-F418 WeakPolarHBondContact O-CB 3.5Å; P239-F418 WeakPolarHBondContact O-CG 3.13Å
240D76.1Confident91Very high35 Ų3518.9 Ų18.919%0.18710%0.1CC..THydrogen-bonded Turntrans-72.8-4177.866.20.4000113.9S238 H242S238-D240 VanDerWaalsContact C-N 3.28Å; S238-D240 VanDerWaalsContact CB-OD1 3.31Å; S238-D240 WeakPolarHBondContact CB-OD1 3Å; S238-D240 PolarHBondContact O-N 3.49Å; S238-D240 PolarHBondContact OG-OD1 3.24Å; D240-H242 PolarHBondContact O-N 3.01Å; D240-H242 PolarHBondContact OD1-N 3.19Å; D240-H242 VanDerWaalsContact OD1-N 3.1Å; D240-H242 IonicContact OD2-CD2 3.68Å; D240-H242 PolarHBondContact OD2-CD2 3.33Å; D240-H242 IonicContact OD2-CG 3.78Å
241G83.6Confident91Very high2 Ų221.7 Ų21.72%0.02111%0.11CC..SBendtrans69.98.3178.100000114.9N197 S238 P239 S257N197-G241 VanDerWaalsContact ND2-CA 3.26Å; N197-G241 WeakPolarHBondContact ND2-CA 3.49Å; N197-G241 PolarHBondContact ND2-O 2.85Å; S238-G241 WeakPolarHBondContact O-CA 3.2Å; S238-G241 PolarHBondContact O-N 2.93Å; P239-G241 PolarHBondContact O-N 2.78Å; G241-S257 WeakPolarHBondContact O-CB 3.16Å
242H81.5Confident90.9Very high46 Ų4620.3 Ų20.321%0.21310%0.1CC..SBendtrans-86.9-25.4-176.9-66.2-30.5000113.7S238 D240 T256 S257 R559S238-H242 PolarHBondContact OG-N 3.49Å; D240-H242 PolarHBondContact O-N 3.01Å; D240-H242 PolarHBondContact OD1-N 3.19Å; D240-H242 VanDerWaalsContact OD1-N 3.1Å; D240-H242 IonicContact OD2-CD2 3.68Å; D240-H242 PolarHBondContact OD2-CD2 3.33Å; D240-H242 IonicContact OD2-CG 3.78Å; H242-T256 CarbonylContact O-C 3.57Å; H242-S257 PolarHBondContact O-N 3.02Å; H242-R559 PolarHBondContact CE1-NH1 2.78Å; H242-R559 PolarHBondContact NE2-NH1 2.69Å
243F88.1Confident90.8Very high24 Ų2422.6 Ų22.611%0.10511%0.109CC..EExtended strand (participates in β ladder)trans-127.8150-175-55.4-72.9000111.9M1 W237 S238 L254 C255 I262 W277M1-F243 HydrophobicContact CE-CD1 3.92Å; M1-F243 HydrophobicContact CE-CD2 3.92Å; M1-F243 HydrophobicContact CE-CE1 3.34Å; M1-F243 HydrophobicContact CE-CE2 3.36Å; M1-F243 HydrophobicContact CE-CG 4.19Å; M1-F243 HydrophobicContact CE-CZ 3.04Å; M1-F243 HydrophobicContact SD-CD1 3.93Å; M1-F243 HydrophobicContact SD-CE1 3.69Å; M1-F243 HydrophobicContact SD-CG 4.48Å; M1-F243 HydrophobicContact SD-CZ 4.06Å; W237-F243 VanDerWaalsContact CE3-O 3.24Å; S238-F243 WeakPolarHBondContact CB-O 3.28Å; S238-F243 PolarHBondContact N-O 3.43Å; S238-F243 PolarHBondContact OG-N 3.22Å; S238-F243 PolarHBondContact OG-O 3.27Å; S238-F243 VanDerWaalsContact OG-O 3.11Å; F243-L254 HydrophobicContact CB-CD2 4.36Å; F243-L254 HydrophobicContact CB-CG 4.46Å; F243-L254 HydrophobicContact CD1-CD2 4.02Å; F243-L254 HydrophobicContact CG-CD2 4.28Å; F243-C255 CarbonylContact C-O 3.54Å; F243-C255 VanDerWaalsContact CA-O 3.3Å; F243-C255 WeakPolarHBondContact CA-O 3.46Å; F243-I262 HydrophobicContact CD1-CD1 3.73Å; F243-I262 HydrophobicContact CE1-CD1 3.78Å; F243-W277 HydrophobicContact CB-CH2 3.98Å; F243-W277 HydrophobicContact CB-CZ2 3.99Å
244L93.5Very high90.7Very high0 Ų022.2 Ų22.20%011%0.105CC..EExtended strand (participates in β ladder)trans-120.7123.8173.5171.967.2000108.2V204 Y212 I214 V235 W237 V246 L254 C255V204-L244 HydrophobicContact CB-CD1 4.22Å; V204-L244 HydrophobicContact CG1-CD1 3.89Å; V204-L244 HydrophobicContact CG2-CD1 3.92Å; V204-L244 HydrophobicContact CG2-CD2 3.74Å; V204-L244 HydrophobicContact CG2-CG 4.5Å; Y212-L244 HydrophobicContact CD2-CD2 3.95Å; Y212-L244 HydrophobicContact CE2-CD2 4Å; I214-L244 HydrophobicContact CD1-CD2 4.45Å; V235-L244 HydrophobicContact CB-CD1 4.21Å; W237-L244 HydrophobicContact CD2-CD1 4.15Å; W237-L244 HydrophobicContact CE3-CB 3.92Å; W237-L244 HydrophobicContact CE3-CD1 4.37Å; W237-L244 HydrophobicContact CH2-CB 3.96Å; W237-L244 HydrophobicContact CH2-CD2 4.41Å; W237-L244 HydrophobicContact CZ2-CD1 4.48Å; W237-L244 HydrophobicContact CZ3-CB 3.58Å; L244-V246 HydrophobicContact CD2-CG2 3.83Å; L244-V246 HydrophobicContact CG-CG2 3.75Å; L244-L254 CarbonylContact O-C 3.48Å; L244-C255 HydrophobicContact CB-CB 4.19Å; L244-C255 PolarHBondContact N-O 2.9Å; L244-C255 PolarHBondContact O-N 3.32Å
245A95Very high90.5Very high0 Ų022 Ų220%010%0.104CC..EExtended strand (participates in β ladder)trans-91.713416900000109.5V235 S236 L252 R253 L254 V275 W277 V284V235-A245 WeakPolarHBondContact CA-O 3.46Å; S236-A245 PolarHBondContact N-O 2.98Å; S236-A245 PolarHBondContact O-N 3.06Å; A245-L252 HydrophobicContact CB-CD1 4.3Å; A245-R253 CarbonylContact C-O 3.55Å; A245-L254 HydrophobicContact CB-CD1 4.5Å; A245-V275 HydrophobicContact CB-CG1 3.65Å; A245-W277 HydrophobicContact CB-CZ2 3.92Å; A245-V284 HydrophobicContact CB-CG1 4.14Å; A245-V284 HydrophobicContact CB-CG2 4.41Å
246V96.4Very high90.1Very high0 Ų022.3 Ų22.30%011%0.106CC..EExtended strand (participates in β ladder)trans-130.5118.2-176.8-172.80000109.1Y212 V232 V235 L244 F248 R253Y212-V246 HydrophobicContact CD1-CG1 3.76Å; Y212-V246 HydrophobicContact CD1-CG2 4.27Å; Y212-V246 HydrophobicContact CD2-CG2 4.34Å; Y212-V246 HydrophobicContact CE1-CG1 4.2Å; Y212-V246 HydrophobicContact CE1-CG2 4.28Å; Y212-V246 HydrophobicContact CE2-CG2 4.34Å; Y212-V246 HydrophobicContact CG-CG1 4.24Å; Y212-V246 HydrophobicContact CG-CG2 4.31Å; V232-V246 HydrophobicContact CG1-CG1 3.5Å; V232-V246 VanDerWaalsContact CG1-CG1 3.5Å; V235-V246 HydrophobicContact CG1-CB 4.45Å; V235-V246 HydrophobicContact CG1-CG1 4.08Å; V235-V246 HydrophobicContact CG1-CG2 4.18Å; L244-V246 HydrophobicContact CD2-CG2 3.83Å; L244-V246 HydrophobicContact CG-CG2 3.75Å; V246-F248 HydrophobicContact CG1-CD1 4.22Å; V246-R253 HydrophobicContact CB-CB 4.37Å; V246-R253 PolarHBondContact N-O 3.49Å; V246-R253 PolarHBondContact O-N 3.33Å
247G94.6Very high89.6Confident0 Ų023.3 Ų23.30%011%0.113CC..EExtended strand (participates in β ladder)trans-102.6127.2177.900000112.3A233 S234A233-G247 PolarHBondContact N-O 3.11Å; S234-G247 PolarHBondContact N-O 2.91Å; S234-G247 PolarHBondContact O-N 3.28Å
248F94.2Very high89.1Confident7 Ų724.6 Ų24.63%0.03112%0.124CC..EExtended strand (participates in β ladder)trans-152.3136.7175.659.6-84.7000110.4V228 S231 V232 V246 Q250 K251 R253V228-F248 HydrophobicContact CB-CD2 4.06Å; V228-F248 HydrophobicContact CB-CE2 4.18Å; V228-F248 HydrophobicContact CG1-CD2 4.48Å; V228-F248 HydrophobicContact CG1-CE2 4.33Å; V228-F248 HydrophobicContact CG1-CZ 4.44Å; V228-F248 HydrophobicContact CG2-CB 4.23Å; V228-F248 HydrophobicContact CG2-CD2 3.93Å; V228-F248 HydrophobicContact CG2-CG 4.07Å; S231-F248 WeakPolarHBondContact O-CB 3.37Å; V232-F248 HydrophobicContact CG2-CB 4.45Å; V246-F248 HydrophobicContact CG1-CD1 4.22Å; F248-Q250 PolarHBondContact O-N 2.85Å; F248-K251 HydrophobicContact CD2-CB 4.13Å; F248-K251 HydrophobicContact CE1-CB 4.18Å; F248-K251 HydrophobicContact CE2-CB 3.68Å; F248-K251 HydrophobicContact CE2-CD 3.82Å; F248-K251 HydrophobicContact CE2-CG 4.25Å; F248-K251 HydrophobicContact CZ-CB 3.69Å; F248-K251 HydrophobicContact CZ-CD 4.17Å; F248-K251 PolarHBondContact N-O 3.42Å; F248-K251 WeakPolarHBondContact O-CA 3.41Å; F248-K251 WeakPolarHBondContact O-CB 3.44Å; F248-K251 PolarHBondContact O-N 3.07Å; F248-R253 HydrophobicContact CE1-CB 3.78Å
249Q91Very high88.9Confident90 Ų9024.4 Ų24.442%0.42112%0.123SC..THydrogen-bonded Turntrans45.3-128.8-173.2-70.9179-39.800111.6S230 K251 E271 V272S230-Q249 WeakPolarHBondContact OG-CG 3.1Å; S230-Q249 PolarHBondContact OG-OE1 3.5Å; Q249-K251 VanDerWaalsContact C-N 3.29Å; Q249-K251 PolarHBondContact O-N 3.16Å; Q249-E271 CarbonylContact O-C 3.5Å; Q249-E271 WeakPolarHBondContact O-CA 3.45Å; Q249-V272 WeakPolarHBondContact O-CG2 3.5Å; Q249-V272 PolarHBondContact O-N 3.08Å
250Q91Very high89Confident84 Ų8426.4 Ų26.439%0.39313%0.132SC..THydrogen-bonded Turntrans-92.931175.5-71175.6-6.900111.5F248 E266 I267 G270F248-Q250 PolarHBondContact O-N 2.85Å; Q250-E266 CarbonylContact O-C 3.6Å; Q250-E266 WeakPolarHBondContact O-CA 3.44Å; Q250-I267 WeakPolarHBondContact CB-O 3.28Å; Q250-I267 PolarHBondContact O-N 3.34Å; Q250-G270 WeakPolarHBondContact CG-O 3.24Å
251K92.6Very high89.5Confident74 Ų7430.3 Ų30.332%0.32215%0.149SC..EExtended strand (participates in β ladder)trans-131.3135.4-173.8-67-176.4178.6-179.30112.6F248 Q249 E265F248-K251 HydrophobicContact CD2-CB 4.13Å; F248-K251 HydrophobicContact CE1-CB 4.18Å; F248-K251 HydrophobicContact CE2-CB 3.68Å; F248-K251 HydrophobicContact CE2-CD 3.82Å; F248-K251 HydrophobicContact CE2-CG 4.25Å; F248-K251 HydrophobicContact CZ-CB 3.69Å; F248-K251 HydrophobicContact CZ-CD 4.17Å; F248-K251 PolarHBondContact N-O 3.42Å; F248-K251 WeakPolarHBondContact O-CA 3.41Å; F248-K251 WeakPolarHBondContact O-CB 3.44Å; F248-K251 PolarHBondContact O-N 3.07Å; Q249-K251 VanDerWaalsContact C-N 3.29Å; Q249-K251 PolarHBondContact O-N 3.16Å; K251-E265 VanDerWaalsContact CA-O 3.28Å; K251-E265 WeakPolarHBondContact CA-O 3.29Å
252L92.7Very high89.5Confident0 Ų032.7 Ų32.70%016%0.161CC..EExtended strand (participates in β ladder)trans-109.3118.2167.3178.567.6000108.4L3 A245 C264 E265 I267 V275 V284 V286 F296L3-L252 HydrophobicContact CD1-CD2 4.12Å; L3-L252 HydrophobicContact CD2-CD2 4.16Å; A245-L252 HydrophobicContact CB-CD1 4.3Å; L252-C264 CarbonylContact O-C 3.6Å; L252-C264 WeakPolarHBondContact O-CA 3.44Å; L252-E265 PolarHBondContact N-O 2.95Å; L252-E265 PolarHBondContact O-N 3.05Å; L252-I267 HydrophobicContact CB-CD1 4.14Å; L252-V275 HydrophobicContact CD1-CG1 4.12Å; L252-V275 HydrophobicContact CD1-CG2 4.07Å; L252-V284 HydrophobicContact CD1-CG1 4.19Å; L252-V284 HydrophobicContact CD2-CB 4.41Å; L252-V284 HydrophobicContact CD2-CG1 3.94Å; L252-V286 HydrophobicContact CD1-CG2 3.95Å; L252-V286 HydrophobicContact CD2-CG2 3.83Å; L252-V286 HydrophobicContact CG-CG2 4.33Å; L252-F296 HydrophobicContact CD2-CB 4.35Å; L252-F296 HydrophobicContact CD2-CD2 3.62Å; L252-F296 HydrophobicContact CD2-CE2 3.96Å; L252-F296 HydrophobicContact CD2-CG 3.92Å
253R93.1Very high89.7Confident49 Ų4931.9 Ų31.919%0.18516%0.159CC..EExtended strand (participates in β ladder)trans-108.9133.1175.3180-179.8-70.8168.71.2110.3A245 V246 F248 H261 V263 C264A245-R253 CarbonylContact C-O 3.55Å; V246-R253 HydrophobicContact CB-CB 4.37Å; V246-R253 PolarHBondContact N-O 3.49Å; V246-R253 PolarHBondContact O-N 3.33Å; F248-R253 HydrophobicContact CE1-CB 3.78Å; R253-H261 HydrophobicContact CG-CB 4.21Å; R253-V263 WeakPolarHBondContact CA-O 3.5Å; R253-C264 HydrophobicContact CB-CB 4.49Å
254L92.3Very high89.7Confident1 Ų133.2 Ų33.21%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-98.2132.5167.5-14889.7000109.7M1 F243 L244 A245 I262 V263 W277 V284 V298M1-L254 HydrophobicContact CE-CD2 4.46Å; M1-L254 HydrophobicContact CG-CD2 4.45Å; M1-L254 HydrophobicContact SD-CD2 3.1Å; M1-L254 WeakPolarHBondContact SD-CD2 3.39Å; F243-L254 HydrophobicContact CB-CD2 4.36Å; F243-L254 HydrophobicContact CB-CG 4.46Å; F243-L254 HydrophobicContact CD1-CD2 4.02Å; F243-L254 HydrophobicContact CG-CD2 4.28Å; L244-L254 CarbonylContact O-C 3.48Å; A245-L254 HydrophobicContact CB-CD1 4.5Å; L254-I262 HydrophobicContact CD2-CD1 4.3Å; L254-I262 PolarHBondContact O-N 2.79Å; L254-V263 HydrophobicContact CB-CG1 3.64Å; L254-V263 PolarHBondContact N-O 3.23Å; L254-V263 PolarHBondContact O-N 3.07Å; L254-W277 HydrophobicContact CD1-CH2 3.64Å; L254-W277 HydrophobicContact CD1-CZ2 3.68Å; L254-V284 HydrophobicContact CD1-CG2 4.47Å; L254-V298 HydrophobicContact CD2-CG1 4.34Å
255C91.2Very high89.4Confident0 Ų036.4 Ų36.40%019%0.186CC..EExtended strand (participates in β ladder)trans-125.1160.5178.4-49.60000110.1Y212 F243 L244 D260Y212-C255 PolarHBondContact OH-SG 3.46Å; Y212-C255 VanDerWaalsContact OH-SG 3.38Å; F243-C255 CarbonylContact C-O 3.54Å; F243-C255 VanDerWaalsContact CA-O 3.3Å; F243-C255 WeakPolarHBondContact CA-O 3.46Å; L244-C255 HydrophobicContact CB-CB 4.19Å; L244-C255 PolarHBondContact N-O 2.9Å; L244-C255 PolarHBondContact O-N 3.32Å; C255-D260 CarbonylContact C-O 3.57Å; C255-D260 WeakPolarHBondContact CA-O 3.39Å; C255-D260 VanDerWaalsContact CB-O 3.28Å; C255-D260 WeakPolarHBondContact CB-O 3.4Å
256T87.3Confident89Confident10 Ų1042.1 Ų42.16%0.06121%0.212CC..EExtended strand (participates in β ladder)trans-76170.7168.865.90000111.1H242 S258 G259 D260 I262 S573H242-T256 CarbonylContact O-C 3.57Å; T256-S258 PolarHBondContact O-N 3.31Å; T256-S258 VanDerWaalsContact O-N 3.11Å; T256-S258 PolarHBondContact OG1-N 3.33Å; T256-S258 PolarHBondContact OG1-OG 3.04Å; T256-G259 PolarHBondContact O-N 3.47Å; T256-D260 PolarHBondContact N-O 3.14Å; T256-I262 HydrophobicContact CG2-CD1 3.51Å; T256-I262 HydrophobicContact CG2-CG1 3.65Å; T256-S573 VanDerWaalsContact CB-O 3.28Å; T256-S573 WeakPolarHBondContact CB-O 3.2Å; T256-S573 WeakPolarHBondContact CG2-O 3.25Å; T256-S573 PolarHBondContact OG1-O 3.47Å
257S84.9Confident88.2Confident40 Ų4042.3 Ų42.328%0.2821%0.213SC..THydrogen-bonded Turntrans-58.9-18.2173.463.10000115.3G241 H242G241-S257 WeakPolarHBondContact O-CB 3.16Å; H242-S257 PolarHBondContact O-N 3.02Å
258S82.5Confident87.1Confident39 Ų3947.2 Ų47.227%0.27324%0.239SC..THydrogen-bonded Turntrans-83.9-14.3173.571.10000113.8Y223 T256 D260 S573Y223-S258 WeakPolarHBondContact CB-O 3.38Å; T256-S258 PolarHBondContact O-N 3.31Å; T256-S258 VanDerWaalsContact O-N 3.11Å; T256-S258 PolarHBondContact OG1-N 3.33Å; T256-S258 PolarHBondContact OG1-OG 3.04Å; S258-D260 PolarHBondContact OG-OD2 3.05Å; S258-S573 PolarHBondContact OG-O 3.37Å
259G84.8Confident85.9Confident0 Ų052.8 Ų52.80%027%0.269CS..SBendtrans100.6-8.7-178.500000114.8Y212 I214 Y223 T256Y212-G259 PolarHBondContact OH-O 3.09Å; I214-G259 VanDerWaalsContact CD1-CA 3.45Å; Y223-G259 WeakPolarHBondContact CE1-O 3.42Å; Y223-G259 VanDerWaalsContact CZ-O 3.23Å; Y223-G259 PolarHBondContact OH-O 2.87Å; Y223-G259 VanDerWaalsContact OH-O 3.13Å; T256-G259 PolarHBondContact O-N 3.47Å
260D83.1Confident85.1Confident53 Ų5348.5 Ų48.528%0.28325%0.249SC..  trans-64.6132.8176.4-69.7-32.6000110.9C255 T256 S258 S573C255-D260 CarbonylContact C-O 3.57Å; C255-D260 WeakPolarHBondContact CA-O 3.39Å; C255-D260 VanDerWaalsContact CB-O 3.28Å; C255-D260 WeakPolarHBondContact CB-O 3.4Å; T256-D260 PolarHBondContact N-O 3.14Å; S258-D260 PolarHBondContact OG-OD2 3.05Å; D260-S573 PolarHBondContact OD2-OG 3.4Å; D260-S573 VanDerWaalsContact OD2-OG 3.14Å
261H85.6Confident84.8Confident118 Ų11847.5 Ų47.555%0.54624%0.244SC..EExtended strand (participates in β ladder)trans-72.1139.8178.977.9-59.2000112R253R253-H261 HydrophobicContact CG-CB 4.21Å
262I84.5Confident84.7Confident52 Ų5244 Ų4427%0.26723%0.229SC..EExtended strand (participates in β ladder)trans-107.6-56.4175.4-57.8164.3000110.1M1 F243 L254 T256M1-I262 HydrophobicContact SD-CD1 4.41Å; F243-I262 HydrophobicContact CD1-CD1 3.73Å; F243-I262 HydrophobicContact CE1-CD1 3.78Å; L254-I262 HydrophobicContact CD2-CD1 4.3Å; L254-I262 PolarHBondContact O-N 2.79Å; T256-I262 HydrophobicContact CG2-CD1 3.51Å; T256-I262 HydrophobicContact CG2-CG1 3.65Å
263V86.1Confident84.5Confident29 Ų2946 Ų4618%0.17625%0.246CC..EExtended strand (participates in β ladder)trans-142.5151.2-175.565.20000109.9L3 R253 L254L3-V263 HydrophobicContact CD1-CG1 3.97Å; R253-V263 WeakPolarHBondContact CA-O 3.5Å; L254-V263 HydrophobicContact CB-CG1 3.64Å; L254-V263 PolarHBondContact N-O 3.23Å; L254-V263 PolarHBondContact O-N 3.07Å
264C87.4Confident84.4Confident51 Ų5145.9 Ų45.935%0.34525%0.246SC..EExtended strand (participates in β ladder)trans-137.2115.7176.5-167.20000108.4L252 R253L252-C264 CarbonylContact O-C 3.6Å; L252-C264 WeakPolarHBondContact O-CA 3.44Å; R253-C264 HydrophobicContact CB-CB 4.49Å
265E87.3Confident84.4Confident67 Ų6746.1 Ų46.131%0.31325%0.248SC..EExtended strand (participates in β ladder)trans-99.9152174.5-69.6-58.9152.100110.8L3 K251 L252 F296L3-E265 HydrophobicContact CB-CG 3.47Å; L3-E265 VanDerWaalsContact CB-CG 3.47Å; L3-E265 HydrophobicContact CD1-CB 4.19Å; L3-E265 HydrophobicContact CD1-CG 3.51Å; L3-E265 HydrophobicContact CG-CG 4.12Å; K251-E265 VanDerWaalsContact CA-O 3.28Å; K251-E265 WeakPolarHBondContact CA-O 3.29Å; L252-E265 PolarHBondContact N-O 2.95Å; L252-E265 PolarHBondContact O-N 3.05Å; E265-F296 HydrophobicContact CB-CE1 4.4Å
266E86.2Confident84.4Confident120 Ų12046.7 Ų46.756%0.56125%0.253SS*.EExtended strand (participates in β ladder)trans-102.7128.8175-167157.3-135.400110Q250Q250-E266 CarbonylContact O-C 3.6Å; Q250-E266 WeakPolarHBondContact O-CA 3.44Å
267I80.6Confident84.4Confident4 Ų447 Ų472%0.02125%0.253CS..  trans-93.5107.1176.9-65.4158.9000107Q250 L252 D269 V272 V286 F294 F296Q250-I267 WeakPolarHBondContact CB-O 3.28Å; Q250-I267 PolarHBondContact O-N 3.34Å; L252-I267 HydrophobicContact CB-CD1 4.14Å; I267-D269 PolarHBondContact O-N 2.78Å; I267-V272 HydrophobicContact CD1-CG2 3.33Å; I267-V286 HydrophobicContact CD1-CB 4.34Å; I267-V286 HydrophobicContact CD1-CG1 3.73Å; I267-V286 HydrophobicContact CD1-CG2 4.5Å; I267-F294 HydrophobicContact CG2-CD1 3.89Å; I267-F294 HydrophobicContact CG2-CD2 3.8Å; I267-F294 HydrophobicContact CG2-CE1 3.58Å; I267-F294 HydrophobicContact CG2-CE2 3.54Å; I267-F294 HydrophobicContact CG2-CG 3.99Å; I267-F294 HydrophobicContact CG2-CZ 3.43Å; I267-F294 VanDerWaalsContact CG2-CZ 3.43Å; I267-F296 HydrophobicContact CD1-CE2 4.31Å; I267-F296 HydrophobicContact CD1-CZ 4.38Å; I267-F296 HydrophobicContact CG1-CE2 4.11Å; I267-F296 HydrophobicContact CG1-CZ 3.72Å
268I69.9Low84.3Confident103 Ų10345.1 Ų45.153%0.52824%0.24SC..THydrogen-bonded Turntrans-63.5127179-56.8169.2000108.8G270I268-G270 VanDerWaalsContact C-N 3.32Å; I268-G270 PolarHBondContact O-N 3.1Å
269D70.7Confident84.1Confident125 Ų12544.5 Ų44.567%0.66823%0.234SC*.THydrogen-bonded Turntrans60.125.3171.5-58.5-32.4000116.9I267I267-D269 PolarHBondContact O-N 2.78Å
270G74.3Confident83.5Confident0 Ų046.3 Ų46.30%024%0.244CC..  trans-145.6123.5176.400000114.3Q250 I268Q250-G270 WeakPolarHBondContact CG-O 3.24Å; I268-G270 VanDerWaalsContact C-N 3.32Å; I268-G270 PolarHBondContact O-N 3.1Å
271E84.8Confident83.4Confident62 Ų6244.5 Ų44.529%0.2924%0.238SC..  trans-78.4124.1171.7-161.9-174178.700110.7Q249 A273 S288 R289Q249-E271 CarbonylContact O-C 3.5Å; Q249-E271 WeakPolarHBondContact O-CA 3.45Å; E271-A273 PolarHBondContact O-N 3.39Å; E271-S288 CarbonylContact O-C 3.47Å; E271-S288 WeakPolarHBondContact O-CA 3.32Å; E271-S288 WeakPolarHBondContact O-CB 3.43Å; E271-R289 HydrophobicContact CB-CB 4.45Å; E271-R289 HydrophobicContact CB-CG 4.44Å; E271-R289 PolarHBondContact O-N 2.83Å; E271-R289 IonicContact OE1-CZ 2.72Å; E271-R289 IonicContact OE1-NH1 3.56Å; E271-R289 PolarHBondContact OE1-NH1 3.16Å; E271-R289 VanDerWaalsContact OE1-NH1 3.09Å; E271-R289 WeakPolarHBondContact OE2-CD 3.33Å; E271-R289 IonicContact OE2-CZ 3.49Å; E271-R289 IonicContact OE2-NE 2.86Å; E271-R289 IonicContact OE2-NH1 3.42Å; E271-R289 PolarHBondContact OE2-NH1 3.15Å
272V89.8Confident83.1Confident0 Ų039.6 Ų39.60%022%0.217CC..EExtended strand (participates in β ladder)trans-60123.1179.8-178.40000111A233 Q249 I267 V275 V286A233-V272 WeakPolarHBondContact CB-O 3.43Å; Q249-V272 WeakPolarHBondContact O-CG2 3.5Å; Q249-V272 PolarHBondContact O-N 3.08Å; I267-V272 HydrophobicContact CD1-CG2 3.33Å; V272-V275 HydrophobicContact CG1-CG2 3.82Å; V272-V286 HydrophobicContact CB-CG1 4.17Å; V272-V286 HydrophobicContact CG1-CG1 3.61Å; V272-V286 HydrophobicContact CG2-CG1 3.74Å
273A88.5Confident83.1Confident43 Ų4337.1 Ų37.136%0.35520%0.204SC..EExtended strand (participates in β ladder)trans-100.4-46.1171.300000111.5E271 G287 R289E271-A273 PolarHBondContact O-N 3.39Å; A273-G287 WeakPolarHBondContact CB-O 3.45Å; A273-G287 PolarHBondContact N-O 2.84Å; A273-R289 HydrophobicContact CB-CG 3.86Å
274K89.8Confident83.3Confident47 Ų4735.8 Ų35.820%0.20420%0.196CC..EExtended strand (participates in β ladder)trans-147.3146.3-173.1-170.7-178.9-176.8-167.60111.2F16 V286 G287F16-K274 HydrophobicContact CE1-CB 3.88Å; F16-K274 HydrophobicContact CE1-CD 4.17Å; F16-K274 HydrophobicContact CE1-CG 4.17Å; F16-K274 HydrophobicContact CZ-CB 4.17Å; F16-K274 HydrophobicContact CZ-CD 4.4Å; F16-K274 HydrophobicContact CZ-CG 4.14Å; F16-K274 WeakPolarHBondContact CZ-O 3.16Å; F16-K274 PolarHBondContact O-NZ 3.07Å; K274-V286 WeakPolarHBondContact O-CA 3.46Å; K274-G287 PolarHBondContact N-O 2.87Å; K274-G287 PolarHBondContact O-N 3.48Å
275V92.5Very high83.3Confident6 Ų633.3 Ų33.34%0.03618%0.18CC..EExtended strand (participates in β ladder)trans-125.5139.5175.9-1770000109.3S234 A245 L252 V272 V284 S285 V286S234-V275 PolarHBondContact OG-N 3.32Å; A245-V275 HydrophobicContact CB-CG1 3.65Å; L252-V275 HydrophobicContact CD1-CG1 4.12Å; L252-V275 HydrophobicContact CD1-CG2 4.07Å; V272-V275 HydrophobicContact CG1-CG2 3.82Å; V275-V284 HydrophobicContact CG1-CG1 3.39Å; V275-S285 CarbonylContact C-O 3.52Å; V275-S285 WeakPolarHBondContact CA-O 3.29Å; V275-V286 HydrophobicContact CG1-CG2 4.49Å; V275-V286 HydrophobicContact CG2-CG1 4.36Å; V275-V286 HydrophobicContact CG2-CG2 4.24Å
276A90.9Very high83.4Confident12 Ų1230.1 Ų30.110%0.09917%0.165CC..EExtended strand (participates in β ladder)trans-146.2147.3170.400000112.2F16 W18 S285F16-A276 HydrophobicContact CD2-CB 4.39Å; F16-A276 HydrophobicContact CE2-CB 3.63Å; F16-A276 HydrophobicContact CZ-CB 4.43Å; W18-A276 PolarHBondContact NE1-O 2.72Å; A276-S285 PolarHBondContact N-O 2.89Å; A276-S285 PolarHBondContact O-N 2.85Å; A276-S285 PolarHBondContact O-OG 3.23Å
277W88.2Confident83.4Confident17 Ų1724.6 Ų24.66%0.06414%0.14CC..EExtended strand (participates in β ladder)trans-91.4145176.8-71.689.3000112.6W18 S236 W237 P239 F243 A245 L254 G281 I283 V284 V298W18-W277 VanDerWaalsContact CD1-C 3.46Å; W18-W277 VanDerWaalsContact NE1-C 3.33Å; W18-W277 PolarHBondContact NE1-O 2.9Å; S236-W277 PolarHBondContact O-NE1 3.42Å; W237-W277 VanDerWaalsContact O-CD1 3.26Å; P239-W277 HydrophobicContact CG-CB 4.4Å; F243-W277 HydrophobicContact CB-CH2 3.98Å; F243-W277 HydrophobicContact CB-CZ2 3.99Å; A245-W277 HydrophobicContact CB-CZ2 3.92Å; L254-W277 HydrophobicContact CD1-CH2 3.64Å; L254-W277 HydrophobicContact CD1-CZ2 3.68Å; W277-G281 WeakPolarHBondContact CZ3-O 3.36Å; W277-I283 WeakPolarHBondContact CA-O 3.4Å; W277-V284 HydrophobicContact CD2-CG2 3.59Å; W277-V284 HydrophobicContact CE3-CG2 3.47Å; W277-V284 VanDerWaalsContact CE3-CG2 3.47Å; W277-V284 HydrophobicContact CG-CG2 4.46Å; W277-V284 HydrophobicContact CH2-CG2 3.59Å; W277-V284 HydrophobicContact CZ2-CG2 3.66Å; W277-V284 HydrophobicContact CZ3-CG2 3.47Å; W277-V284 VanDerWaalsContact CZ3-CG2 3.47Å; W277-V298 HydrophobicContact CH2-CG1 4.47Å; W277-V298 HydrophobicContact CH2-CG2 3.95Å; W277-V298 HydrophobicContact CZ3-CB 4.25Å; W277-V298 HydrophobicContact CZ3-CG1 4.46Å; W277-V298 HydrophobicContact CZ3-CG2 3.67Å
278S82.9Confident83.5Confident0 Ų024.7 Ų24.70%014%0.141CC..  trans-61.5153.8164.660.70000110.6P239 D280 G281 S282 I283P239-S278 VanDerWaalsContact CG-O 3.27Å; P239-S278 WeakPolarHBondContact CG-O 2.93Å; S278-D280 WeakPolarHBondContact CB-OD1 3.35Å; S278-D280 PolarHBondContact O-N 3.19Å; S278-D280 VanDerWaalsContact O-N 3.13Å; S278-D280 PolarHBondContact OG-OD1 3.19Å; S278-G281 PolarHBondContact O-N 2.91Å; S278-S282 PolarHBondContact OG-N 3.27Å; S278-I283 PolarHBondContact N-O 3Å; S278-I283 PolarHBondContact OG-N 3.47Å; S278-I283 PolarHBondContact OG-O 2.9Å
279P77.7Confident84Confident25 Ų2525.9 Ų25.916%0.16214%0.138CC..THydrogen-bonded Turntrans-60.8-25.8-176.7-24.234.3000114.7W18 S19 R20W18-P279 HydrophobicContact CB-CG 4.39Å; S19-P279 WeakPolarHBondContact O-CG 3.2Å; R20-P279 HydrophobicContact CG-CG 4.18Å
280D73.2Confident84.2Confident39 Ų3924.3 Ų24.321%0.20913%0.13CC..THydrogen-bonded Turntrans-87.9-7176.864.21.5000113.4S278 S282 R336S278-D280 WeakPolarHBondContact CB-OD1 3.35Å; S278-D280 PolarHBondContact O-N 3.19Å; S278-D280 VanDerWaalsContact O-N 3.13Å; S278-D280 PolarHBondContact OG-OD1 3.19Å; D280-S282 VanDerWaalsContact C-N 3.25Å; D280-S282 PolarHBondContact O-N 3.38Å; D280-S282 PolarHBondContact OD1-N 2.75Å; D280-S282 PolarHBondContact OD1-OG 2.89Å; D280-S282 PolarHBondContact OD2-OG 3.4Å; D280-R336 IonicContact OD1-NH2 3.13Å; D280-R336 IonicContact OD2-CZ 3.73Å; D280-R336 IonicContact OD2-NH2 3.96Å; D280-R336 PolarHBondContact OD2-NH2 3.43Å
281G80.8Confident84.1Confident15 Ų1526.4 Ų26.416%0.15514%0.142CC..SBendtrans73.78.9-178.100000115W277 S278W277-G281 WeakPolarHBondContact CZ3-O 3.36Å; S278-G281 PolarHBondContact O-N 2.91Å
282S78.4Confident83.8Confident15 Ų1527.2 Ų27.211%0.10515%0.145CC..SBendtrans-86.1-15.6-178.868.30000114S278 D280 V298 R336S278-S282 PolarHBondContact OG-N 3.27Å; D280-S282 VanDerWaalsContact C-N 3.25Å; D280-S282 PolarHBondContact O-N 3.38Å; D280-S282 PolarHBondContact OD1-N 2.75Å; D280-S282 PolarHBondContact OD1-OG 2.89Å; D280-S282 PolarHBondContact OD2-OG 3.4Å; S282-V298 PolarHBondContact O-N 3.42Å; S282-R336 PolarHBondContact OG-NE 3.15Å; S282-R336 PolarHBondContact OG-NH2 2.83Å
283I85Confident83.4Confident0 Ų027.7 Ų27.70%015%0.148CC..EExtended strand (participates in β ladder)trans-133141.1-177-50.8168.2000110.2W18 P40 W277 S278 I295 F296 Y297W18-I283 HydrophobicContact CH2-CB 3.94Å; W18-I283 HydrophobicContact CH2-CD1 3.83Å; W18-I283 HydrophobicContact CH2-CG2 3.77Å; W18-I283 HydrophobicContact CZ2-CB 4.07Å; W18-I283 HydrophobicContact CZ2-CG2 3.82Å; W18-I283 HydrophobicContact CZ3-CD1 4.29Å; P40-I283 HydrophobicContact CB-CD1 3.62Å; P40-I283 HydrophobicContact CG-CD1 4.13Å; W277-I283 WeakPolarHBondContact CA-O 3.4Å; S278-I283 PolarHBondContact N-O 3Å; S278-I283 PolarHBondContact OG-N 3.47Å; S278-I283 PolarHBondContact OG-O 2.9Å; I283-I295 HydrophobicContact CG2-CG2 3.58Å; I283-F296 CarbonylContact C-O 3.52Å; I283-F296 WeakPolarHBondContact CA-O 3.12Å; I283-F296 WeakPolarHBondContact CG2-O 3.42Å; I283-Y297 HydrophobicContact CD1-CD1 4.21Å; I283-Y297 HydrophobicContact CD1-CE1 3.84Å; I283-Y297 HydrophobicContact CG1-CD1 3.73Å; I283-Y297 HydrophobicContact CG1-CE1 3.9Å
284V89.8Confident83.2Confident0 Ų025.9 Ų25.90%013%0.132CC..EExtended strand (participates in β ladder)trans-111.5122.2164.8-179.30000108.5A245 L252 L254 V275 W277 V286 F296 V298A245-V284 HydrophobicContact CB-CG1 4.14Å; A245-V284 HydrophobicContact CB-CG2 4.41Å; L252-V284 HydrophobicContact CD1-CG1 4.19Å; L252-V284 HydrophobicContact CD2-CB 4.41Å; L252-V284 HydrophobicContact CD2-CG1 3.94Å; L254-V284 HydrophobicContact CD1-CG2 4.47Å; V275-V284 HydrophobicContact CG1-CG1 3.39Å; W277-V284 HydrophobicContact CD2-CG2 3.59Å; W277-V284 HydrophobicContact CE3-CG2 3.47Å; W277-V284 VanDerWaalsContact CE3-CG2 3.47Å; W277-V284 HydrophobicContact CG-CG2 4.46Å; W277-V284 HydrophobicContact CH2-CG2 3.59Å; W277-V284 HydrophobicContact CZ2-CG2 3.66Å; W277-V284 HydrophobicContact CZ3-CG2 3.47Å; W277-V284 VanDerWaalsContact CZ3-CG2 3.47Å; V284-V286 HydrophobicContact CG1-CG2 4.19Å; V284-F296 HydrophobicContact CB-CB 4.48Å; V284-F296 PolarHBondContact N-O 2.86Å; V284-F296 PolarHBondContact O-N 2.84Å; V284-V298 HydrophobicContact CG2-CG2 3.71Å
285S88.2Confident83Confident0 Ų023.9 Ų23.90%012%0.123CC..EExtended strand (participates in β ladder)trans-98.5142168.953.20000110.9F16 W18 V275 A276 F294F16-S285 WeakPolarHBondContact CD2-OG 3.47Å; F16-S285 WeakPolarHBondContact CE2-OG 3.3Å; W18-S285 PolarHBondContact NE1-OG 2.97Å; V275-S285 CarbonylContact C-O 3.52Å; V275-S285 WeakPolarHBondContact CA-O 3.29Å; A276-S285 PolarHBondContact N-O 2.89Å; A276-S285 PolarHBondContact O-N 2.85Å; A276-S285 PolarHBondContact O-OG 3.23Å; S285-F294 CarbonylContact C-O 3.49Å; S285-F294 WeakPolarHBondContact CA-O 3.49Å
286V89.2Confident82.7Confident0 Ų023.9 Ų23.90%012%0.123CC..EExtended strand (participates in β ladder)trans-131120.7-178-174.70000109.2L252 I267 V272 K274 V275 V284 F294 F296L252-V286 HydrophobicContact CD1-CG2 3.95Å; L252-V286 HydrophobicContact CD2-CG2 3.83Å; L252-V286 HydrophobicContact CG-CG2 4.33Å; I267-V286 HydrophobicContact CD1-CB 4.34Å; I267-V286 HydrophobicContact CD1-CG1 3.73Å; I267-V286 HydrophobicContact CD1-CG2 4.5Å; V272-V286 HydrophobicContact CB-CG1 4.17Å; V272-V286 HydrophobicContact CG1-CG1 3.61Å; V272-V286 HydrophobicContact CG2-CG1 3.74Å; K274-V286 WeakPolarHBondContact O-CA 3.46Å; V275-V286 HydrophobicContact CG1-CG2 4.49Å; V275-V286 HydrophobicContact CG2-CG1 4.36Å; V275-V286 HydrophobicContact CG2-CG2 4.24Å; V284-V286 HydrophobicContact CG1-CG2 4.19Å; V286-F294 HydrophobicContact CB-CB 4.31Å; V286-F294 PolarHBondContact N-O 3.17Å; V286-F294 PolarHBondContact O-N 3.32Å; V286-F296 HydrophobicContact CB-CE2 4.28Å; V286-F296 HydrophobicContact CG2-CD2 3.9Å; V286-F296 HydrophobicContact CG2-CE2 3.85Å
287G86Confident82.2Confident4 Ų423.4 Ų23.44%0.04112%0.118CC..EExtended strand (participates in β ladder)trans-94.7133.217100000110A273 K274 E292A273-G287 WeakPolarHBondContact CB-O 3.45Å; A273-G287 PolarHBondContact N-O 2.84Å; K274-G287 PolarHBondContact N-O 2.87Å; K274-G287 PolarHBondContact O-N 3.48Å; G287-E292 CarbonylContact C-O 3.55Å; G287-E292 WeakPolarHBondContact CA-O 3.19Å
288S83.6Confident81.8Confident5 Ų523.4 Ų23.44%0.03512%0.12CC..EExtended strand (participates in β ladder)trans-91.6160.3173.976.70000112.4E271 D290 N291 E292E271-S288 CarbonylContact O-C 3.47Å; E271-S288 WeakPolarHBondContact O-CA 3.32Å; E271-S288 WeakPolarHBondContact O-CB 3.43Å; S288-D290 PolarHBondContact O-N 2.72Å; S288-D290 PolarHBondContact OG-N 3.2Å; S288-N291 WeakPolarHBondContact O-CA 3.45Å; S288-N291 PolarHBondContact O-N 2.94Å; S288-N291 PolarHBondContact OG-N 3.02Å; S288-E292 PolarHBondContact N-O 3.07Å; S288-E292 PolarHBondContact OG-N 2.77Å
289R79Confident81.3Confident128 Ų12823.8 Ų23.848%0.48312%0.122SC..THydrogen-bonded Turntrans-66.8-23.8171.8-68.5-174.9174.1170.5-5.6112.9E271 A273 N291E271-R289 HydrophobicContact CB-CB 4.45Å; E271-R289 HydrophobicContact CB-CG 4.44Å; E271-R289 PolarHBondContact O-N 2.83Å; E271-R289 IonicContact OE1-CZ 2.72Å; E271-R289 IonicContact OE1-NH1 3.56Å; E271-R289 PolarHBondContact OE1-NH1 3.16Å; E271-R289 VanDerWaalsContact OE1-NH1 3.09Å; E271-R289 WeakPolarHBondContact OE2-CD 3.33Å; E271-R289 IonicContact OE2-CZ 3.49Å; E271-R289 IonicContact OE2-NE 2.86Å; E271-R289 IonicContact OE2-NH1 3.42Å; E271-R289 PolarHBondContact OE2-NH1 3.15Å; A273-R289 HydrophobicContact CB-CG 3.86Å; R289-N291 PolarHBondContact O-N 3.14Å
290D76.3Confident80.6Confident93 Ų9323.8 Ų23.850%0.49712%0.123SC..THydrogen-bonded Turntrans-79.59.4172.5-52.1-62.1000111.9S288S288-D290 PolarHBondContact O-N 2.72Å; S288-D290 PolarHBondContact OG-N 3.2Å
291N72.3Confident80.4Confident44 Ų4424.4 Ų24.424%0.23512%0.124CC..SBendtrans71.313.5179.9-56.9-48.1000114.4T12 S13 I14 S288 R289T12-N291 CarbonylContact C-O 3.5Å; T12-N291 WeakPolarHBondContact CA-O 3.06Å; T12-N291 HydrophobicContact CG2-CB 3.93Å; S13-N291 PolarHBondContact N-O 3.47Å; S13-N291 CarbonylContact O-C 3.58Å; S13-N291 WeakPolarHBondContact O-CA 3.31Å; S13-N291 WeakPolarHBondContact O-CB 3.32Å; S13-N291 PolarHBondContact O-OD1 3.31Å; S13-N291 PolarHBondContact OG-O 3.43Å; I14-N291 WeakPolarHBondContact CG1-OD1 3.47Å; S288-N291 WeakPolarHBondContact O-CA 3.45Å; S288-N291 PolarHBondContact O-N 2.94Å; S288-N291 PolarHBondContact OG-N 3.02Å; R289-N291 PolarHBondContact O-N 3.14Å
292E78.9Confident80.5Confident79 Ų7925.5 Ų25.537%0.36913%0.128SC..PPolyproline II helixtrans-84.5143.8177.5-63.8-168.6158.500112.3G287 S288 F294G287-E292 CarbonylContact C-O 3.55Å; G287-E292 WeakPolarHBondContact CA-O 3.19Å; S288-E292 PolarHBondContact N-O 3.07Å; S288-E292 PolarHBondContact OG-N 2.77Å; E292-F294 HydrophobicContact CB-CD2 4.35Å; E292-F294 HydrophobicContact CB-CE2 3.56Å; E292-F294 HydrophobicContact CB-CZ 3.87Å; E292-F294 VanDerWaalsContact OE2-CZ 3.28Å; E292-F294 WeakPolarHBondContact OE2-CZ 3.16Å
293L80.5Confident81Confident9 Ų925.1 Ų25.15%0.04713%0.126CC..EExtended strand (participates in β ladder)trans-103.2117.6171.9-176.770.1000109.9A10 F16 V26 F28 I295A10-L293 HydrophobicContact CB-CB 4.08Å; A10-L293 VanDerWaalsContact CB-O 3.24Å; A10-L293 WeakPolarHBondContact CB-O 3.29Å; F16-L293 HydrophobicContact CB-CD1 4.28Å; F16-L293 HydrophobicContact CD1-CD1 3.73Å; F16-L293 HydrophobicContact CD2-CD1 4.09Å; F16-L293 HydrophobicContact CE1-CD1 4.07Å; F16-L293 HydrophobicContact CE2-CD1 4.37Å; F16-L293 HydrophobicContact CG-CD1 3.75Å; F16-L293 HydrophobicContact CZ-CD1 4.36Å; V26-L293 HydrophobicContact CG1-CD2 3.83Å; F28-L293 HydrophobicContact CB-CD2 4.31Å; F28-L293 HydrophobicContact CD1-CD2 4.01Å; F28-L293 HydrophobicContact CG-CD2 4.14Å; L293-I295 HydrophobicContact CD2-CD1 4.28Å; L293-I295 HydrophobicContact CG-CD1 4.25Å
294F84Confident81.2Confident5 Ų527.7 Ų27.72%0.02214%0.135CC..EExtended strand (participates in β ladder)trans-102.5135.5176.2-58.3-97.4000110R5 I267 S285 V286 E292 F296R5-F294 VanDerWaalsContact CZ-CE1 3.43Å; R5-F294 VanDerWaalsContact NH2-CE1 3.33Å; I267-F294 HydrophobicContact CG2-CD1 3.89Å; I267-F294 HydrophobicContact CG2-CD2 3.8Å; I267-F294 HydrophobicContact CG2-CE1 3.58Å; I267-F294 HydrophobicContact CG2-CE2 3.54Å; I267-F294 HydrophobicContact CG2-CG 3.99Å; I267-F294 HydrophobicContact CG2-CZ 3.43Å; I267-F294 VanDerWaalsContact CG2-CZ 3.43Å; S285-F294 CarbonylContact C-O 3.49Å; S285-F294 WeakPolarHBondContact CA-O 3.49Å; V286-F294 HydrophobicContact CB-CB 4.31Å; V286-F294 PolarHBondContact N-O 3.17Å; V286-F294 PolarHBondContact O-N 3.32Å; E292-F294 HydrophobicContact CB-CD2 4.35Å; E292-F294 HydrophobicContact CB-CE2 3.56Å; E292-F294 HydrophobicContact CB-CZ 3.87Å; E292-F294 VanDerWaalsContact OE2-CZ 3.28Å; E292-F294 WeakPolarHBondContact OE2-CZ 3.16Å; F294-F296 HydrophobicContact CB-CD2 4.33Å; F294-F296 HydrophobicContact CB-CE2 3.64Å; F294-F296 HydrophobicContact CB-CZ 4.28Å
295I85.1Confident81.4Confident5 Ų528.4 Ų28.43%0.02614%0.138CC..EExtended strand (participates in β ladder)trans-111.3127.1176.6-60.2-56.6000108.3R5 C6 V26 W38 I283 L293 Y297R5-I295 WeakPolarHBondContact CA-O 3.32Å; C6-I295 PolarHBondContact N-O 3.42Å; V26-I295 HydrophobicContact CG1-CD1 4.43Å; W38-I295 HydrophobicContact CD2-CG1 4.29Å; W38-I295 HydrophobicContact CE3-CD1 3.94Å; W38-I295 HydrophobicContact CE3-CG1 4.04Å; W38-I295 HydrophobicContact CH2-CB 4.09Å; W38-I295 HydrophobicContact CH2-CD1 4.33Å; W38-I295 HydrophobicContact CH2-CG1 3.8Å; W38-I295 HydrophobicContact CH2-CG2 3.38Å; W38-I295 HydrophobicContact CZ2-CB 4.47Å; W38-I295 HydrophobicContact CZ2-CG1 4.07Å; W38-I295 HydrophobicContact CZ2-CG2 4.11Å; W38-I295 HydrophobicContact CZ3-CB 4.4Å; W38-I295 HydrophobicContact CZ3-CD1 3.78Å; W38-I295 HydrophobicContact CZ3-CG1 3.75Å; W38-I295 HydrophobicContact CZ3-CG2 3.79Å; I283-I295 HydrophobicContact CG2-CG2 3.58Å; L293-I295 HydrophobicContact CD2-CD1 4.28Å; L293-I295 HydrophobicContact CG-CD1 4.25Å; I295-Y297 HydrophobicContact CG2-CE2 4.16Å
296F85.9Confident81.5Confident7 Ų731.7 Ų31.73%0.03115%0.151CC..EExtended strand (participates in β ladder)trans-121.9120174.8-63.2-89.6000111.4L3 Q4 R5 L252 E265 I267 I283 V284 V286 F294L3-F296 HydrophobicContact CB-CB 4.37Å; L3-F296 HydrophobicContact CB-CD1 3.89Å; L3-F296 HydrophobicContact CD2-CB 3.44Å; L3-F296 VanDerWaalsContact CD2-CB 3.44Å; L3-F296 HydrophobicContact CD2-CD1 4.32Å; L3-F296 HydrophobicContact CD2-CG 4.12Å; L3-F296 HydrophobicContact CG-CB 4.47Å; Q4-F296 WeakPolarHBondContact O-CA 3.48Å; R5-F296 HydrophobicContact CB-CE1 4.35Å; L252-F296 HydrophobicContact CD2-CB 4.35Å; L252-F296 HydrophobicContact CD2-CD2 3.62Å; L252-F296 HydrophobicContact CD2-CE2 3.96Å; L252-F296 HydrophobicContact CD2-CG 3.92Å; E265-F296 HydrophobicContact CB-CE1 4.4Å; I267-F296 HydrophobicContact CD1-CE2 4.31Å; I267-F296 HydrophobicContact CD1-CZ 4.38Å; I267-F296 HydrophobicContact CG1-CE2 4.11Å; I267-F296 HydrophobicContact CG1-CZ 3.72Å; I283-F296 CarbonylContact C-O 3.52Å; I283-F296 WeakPolarHBondContact CA-O 3.12Å; I283-F296 WeakPolarHBondContact CG2-O 3.42Å; V284-F296 HydrophobicContact CB-CB 4.48Å; V284-F296 PolarHBondContact N-O 2.86Å; V284-F296 PolarHBondContact O-N 2.84Å; V286-F296 HydrophobicContact CB-CE2 4.28Å; V286-F296 HydrophobicContact CG2-CD2 3.9Å; V286-F296 HydrophobicContact CG2-CE2 3.85Å; F294-F296 HydrophobicContact CB-CD2 4.33Å; F294-F296 HydrophobicContact CB-CE2 3.64Å; F294-F296 HydrophobicContact CB-CZ 4.28Å
297Y82Confident81.6Confident1 Ų134.6 Ų34.60%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-79.7131.9171-64.1-84.2000110.3L3 Q4 C6 P40 E43 I283 I295 H299 N315L3-Y297 WeakPolarHBondContact CA-O 3.45Å; Q4-Y297 PolarHBondContact N-O 3.38Å; Q4-Y297 PolarHBondContact O-N 2.67Å; C6-Y297 HydrophobicContact CB-CE2 4.06Å; C6-Y297 VanDerWaalsContact SG-CE2 3.52Å; P40-Y297 PolarHBondContact O-OH 3.11Å; E43-Y297 PolarHBondContact OE1-OH 2.85Å; I283-Y297 HydrophobicContact CD1-CD1 4.21Å; I283-Y297 HydrophobicContact CD1-CE1 3.84Å; I283-Y297 HydrophobicContact CG1-CD1 3.73Å; I283-Y297 HydrophobicContact CG1-CE1 3.9Å; I295-Y297 HydrophobicContact CG2-CE2 4.16Å; Y297-H299 WeakPolarHBondContact CB-CE1 3.35Å; Y297-H299 PolarHBondContact O-ND1 3.25Å; Y297-N315 WeakPolarHBondContact CD1-ND2 3.35Å; Y297-N315 WeakPolarHBondContact CD1-OD1 3.27Å; Y297-N315 VanDerWaalsContact CE1-ND2 3.25Å; Y297-N315 WeakPolarHBondContact CE1-ND2 3.43Å; Y297-N315 WeakPolarHBondContact CE1-OD1 3.45Å; Y297-N315 VanDerWaalsContact CE2-ND2 3.33Å; Y297-N315 WeakPolarHBondContact CE2-ND2 3.37Å; Y297-N315 VanDerWaalsContact CG-OD1 3.28Å
298V79.7Confident81.9Confident17 Ų1734.7 Ų34.710%0.10316%0.164CC..EExtended strand (participates in β ladder)trans-9793.3178.9-177.90000108.8M1 L3 L254 W277 S282 V284M1-V298 HydrophobicContact CE-CG1 3.93Å; M1-V298 HydrophobicContact CG-CG1 4.45Å; M1-V298 HydrophobicContact SD-CG1 3.86Å; L3-V298 HydrophobicContact CD2-CG2 3.87Å; L254-V298 HydrophobicContact CD2-CG1 4.34Å; W277-V298 HydrophobicContact CH2-CG1 4.47Å; W277-V298 HydrophobicContact CH2-CG2 3.95Å; W277-V298 HydrophobicContact CZ3-CB 4.25Å; W277-V298 HydrophobicContact CZ3-CG1 4.46Å; W277-V298 HydrophobicContact CZ3-CG2 3.67Å; S282-V298 PolarHBondContact O-N 3.42Å; V284-V298 HydrophobicContact CG2-CG2 3.71Å
299H72.2Confident82.3Confident8 Ų836.2 Ų36.24%0.03717%0.17CC..EExtended strand (participates in β ladder)trans-95.697.5177.1-46.494.8000109M1 K2 Y297 N315M1-H299 CarbonylContact C-O 3.55Å; M1-H299 WeakPolarHBondContact CA-O 3.43Å; K2-H299 PolarHBondContact N-O 3.12Å; K2-H299 PolarHBondContact O-N 3.32Å; K2-H299 PolarHBondContact O-ND1 3.45Å; Y297-H299 WeakPolarHBondContact CB-CE1 3.35Å; Y297-H299 PolarHBondContact O-ND1 3.25Å; H299-N315 PolarHBondContact NE2-N 3.07Å; H299-N315 PolarHBondContact NE2-OD1 3.39Å; H299-N315 VanDerWaalsContact NE2-OD1 3.11Å
300S62.6Low83.1Confident26 Ų2630.1 Ų30.118%0.18215%0.147CC..  trans-171.3100.6134720000110.8M1M1-S300 VanDerWaalsContact CA-OG 3.3Å; M1-S300 WeakPolarHBondContact CA-OG 3.27Å; M1-S300 WeakPolarHBondContact CG-OG 3.43Å; M1-S300 PolarHBondContact N-OG 2.64Å
301E69.4Low83.8Confident51 Ų5126.8 Ų26.824%0.23813%0.131CC..  trans-99.7115.3138.8-63.4-168.3136.900105.2K339 F340E301-K339 WeakPolarHBondContact OE1-CD 3.28Å; E301-K339 WeakPolarHBondContact OE1-CE 3.28Å; E301-K339 IonicContact OE1-NZ 3.54Å; E301-K339 PolarHBondContact OE1-NZ 2.99Å; E301-K339 VanDerWaalsContact OE2-CD 3.25Å; E301-K339 WeakPolarHBondContact OE2-CD 3.45Å; E301-K339 IonicContact OE2-NZ 3.56Å; E301-F340 HydrophobicContact CB-CD1 4.28Å; E301-F340 HydrophobicContact CB-CE1 3.75Å; E301-F340 HydrophobicContact CB-CZ 4.22Å; E301-F340 WeakPolarHBondContact O-CE1 3.06Å; E301-F340 WeakPolarHBondContact O-CZ 3.21Å; E301-F340 PolarHBondContact OE2-N 2.9Å
302T82.7Confident84.6Confident38 Ų3826 Ų2623%0.23313%0.126CC..EExtended strand (participates in β ladder)trans-100.7117.7161.544.80000104.9A310 L577T302-A310 CarbonylContact C-O 3.53Å; T302-A310 VanDerWaalsContact CA-O 3.27Å; T302-A310 WeakPolarHBondContact CA-O 3.35Å; T302-L577 WeakPolarHBondContact OG1-CD1 3.36Å
303S88.9Confident84.9Confident8 Ų825.9 Ų25.96%0.05613%0.128CC..EExtended strand (participates in β ladder)trans-108.1125.3179.5-164.40000107.9A310 Q341 L342S303-A310 PolarHBondContact N-O 3.04Å; S303-A310 PolarHBondContact O-N 2.88Å; S303-Q341 PolarHBondContact OG-NE2 3.34Å; S303-L342 PolarHBondContact OG-N 3.09Å
304R89.8Confident85Confident53 Ų5328.6 Ų28.620%0.214%0.142CC..EExtended strand (participates in β ladder)trans-114.6137.8177.1-67.8-144.1-169.6164.1-11.5110.4L308 E309 V569 F579R304-L308 VanDerWaalsContact CA-O 3.31Å; R304-L308 WeakPolarHBondContact CA-O 3.32Å; R304-E309 HydrophobicContact CG-CB 4.02Å; R304-E309 HydrophobicContact CG-CG 4.06Å; R304-E309 IonicContact CZ-OE1 3.15Å; R304-E309 VanDerWaalsContact CZ-OE1 3.24Å; R304-E309 IonicContact CZ-OE2 3.93Å; R304-E309 IonicContact NE-OE1 2.8Å; R304-E309 PolarHBondContact NE-OE1 3.31Å; R304-E309 IonicContact NE-OE2 3.1Å; R304-E309 PolarHBondContact NE-OE2 2.85Å; R304-E309 IonicContact NH2-OE1 2.82Å; R304-E309 PolarHBondContact NH2-OE1 2.7Å; R304-E309 IonicContact NH2-OE2 2.73Å; R304-E309 PolarHBondContact NH2-OE2 3.23Å; R304-V569 HydrophobicContact CB-CG2 4.32Å; R304-F579 HydrophobicContact CB-CE1 4.29Å; R304-F579 HydrophobicContact CG-CE1 3.85Å; R304-F579 HydrophobicContact CG-CZ 4.25Å; R304-F579 VanDerWaalsContact CZ-CE1 3.49Å; R304-F579 VanDerWaalsContact NH1-CD1 3.29Å; R304-F579 VanDerWaalsContact NH1-CG 3.26Å
305W92.1Very high84.8Confident16 Ų1629.7 Ų29.76%0.06115%0.149CC..EExtended strand (participates in β ladder)trans-140.7111.8173-176.373.8000109.1Q307 L308 L342 D345 H564W305-Q307 PolarHBondContact O-N 3.31Å; W305-Q307 VanDerWaalsContact O-N 3.13Å; W305-L308 HydrophobicContact CE3-CD1 4.33Å; W305-L308 PolarHBondContact N-O 3.29Å; W305-L308 PolarHBondContact O-N 2.8Å; W305-L342 HydrophobicContact CB-CD2 4.01Å; W305-L342 HydrophobicContact CB-CG 3.87Å; W305-D345 HydrophobicContact CH2-CB 4.24Å; W305-D345 VanDerWaalsContact CH2-CG 3.42Å; W305-D345 VanDerWaalsContact CH2-OD1 3.26Å; W305-D345 WeakPolarHBondContact CH2-OD1 3.27Å; W305-D345 HydrophobicContact CZ3-CB 4.33Å; W305-D345 WeakPolarHBondContact CZ3-OD1 3.4Å; W305-H564 AromaticContact CD1-CE1 3.7Å; W305-H564 AromaticContact CD1-CG 3.9Å; W305-H564 AromaticContact CD1-ND1 3.6Å; W305-H564 AromaticContact NE1-ND1 3.93Å
306Y91.4Very high84.9Confident68 Ų6830.3 Ų30.327%0.26716%0.156SC..THydrogen-bonded Turntrans48-117-166.3-66.8-85.4000111.8L308 D514 H564 G565 Q567Y306-L308 VanDerWaalsContact C-N 3.34Å; Y306-D514 WeakPolarHBondContact CE2-OD2 3.46Å; Y306-D514 PolarHBondContact OH-OD1 2.93Å; Y306-D514 PolarHBondContact OH-OD2 3.1Å; Y306-H564 HydrophobicContact CD1-CB 4.3Å; Y306-H564 HydrophobicContact CD2-CB 4.15Å; Y306-H564 HydrophobicContact CE1-CB 4.08Å; Y306-H564 HydrophobicContact CE2-CB 3.9Å; Y306-H564 HydrophobicContact CG-CB 4.33Å; Y306-G565 PolarHBondContact OH-N 3.38Å; Y306-Q567 PolarHBondContact O-OE1 3.35Å
307Q90.2Very high85.2Confident62 Ų6230.2 Ų30.229%0.2916%0.156SC..THydrogen-bonded Turntrans-90.3-1.7-175.7-61.2152.30.100112.4W305 L323 L324W305-Q307 PolarHBondContact O-N 3.31Å; W305-Q307 VanDerWaalsContact O-N 3.13Å; Q307-L323 VanDerWaalsContact O-CB 3.32Å; Q307-L323 WeakPolarHBondContact O-CB 3.42Å; Q307-L323 WeakPolarHBondContact O-CG 3.4Å; Q307-L323 PolarHBondContact O-N 2.86Å; Q307-L324 HydrophobicContact CB-CG 4.07Å; Q307-L324 HydrophobicContact CG-CD1 4.22Å; Q307-L324 HydrophobicContact CG-CD2 4.06Å; Q307-L324 HydrophobicContact CG-CG 3.7Å; Q307-L324 VanDerWaalsContact OE1-CG 3.25Å
308L93.1Very high85.7Confident6 Ų630.2 Ų30.23%0.03116%0.156CC..EExtended strand (participates in β ladder)trans-95.7133.3178.2-62.7177.8000109.5R304 W305 Y306 I320 N322 L342 R360 W363R304-L308 VanDerWaalsContact CA-O 3.31Å; R304-L308 WeakPolarHBondContact CA-O 3.32Å; W305-L308 HydrophobicContact CE3-CD1 4.33Å; W305-L308 PolarHBondContact N-O 3.29Å; W305-L308 PolarHBondContact O-N 2.8Å; Y306-L308 VanDerWaalsContact C-N 3.34Å; L308-I320 HydrophobicContact CD2-CG2 4.32Å; L308-N322 HydrophobicContact CD2-CB 3.87Å; L308-L342 HydrophobicContact CB-CD2 3.71Å; L308-R360 HydrophobicContact CD1-CG 4.11Å; L308-W363 HydrophobicContact CD1-CZ2 4.17Å
309E93.1Very high86.4Confident36 Ų3632.2 Ų32.217%0.16817%0.165CC..EExtended strand (participates in β ladder)trans-121.3119.5172.2172.8165.1-136.100108.5R304 I320 K321 L323R304-E309 HydrophobicContact CG-CB 4.02Å; R304-E309 HydrophobicContact CG-CG 4.06Å; R304-E309 IonicContact CZ-OE1 3.15Å; R304-E309 VanDerWaalsContact CZ-OE1 3.24Å; R304-E309 IonicContact CZ-OE2 3.93Å; R304-E309 IonicContact NE-OE1 2.8Å; R304-E309 PolarHBondContact NE-OE1 3.31Å; R304-E309 IonicContact NE-OE2 3.1Å; R304-E309 PolarHBondContact NE-OE2 2.85Å; R304-E309 IonicContact NH2-OE1 2.82Å; R304-E309 PolarHBondContact NH2-OE1 2.7Å; R304-E309 IonicContact NH2-OE2 2.73Å; R304-E309 PolarHBondContact NH2-OE2 3.23Å; E309-I320 CarbonylContact O-C 3.51Å; E309-I320 WeakPolarHBondContact O-CA 3.35Å; E309-K321 PolarHBondContact N-O 3.23Å; E309-K321 PolarHBondContact O-N 2.7Å; E309-L323 HydrophobicContact CB-CD1 4.41Å; E309-L323 HydrophobicContact CB-CD2 4.44Å; E309-L323 HydrophobicContact CB-CG 4.44Å
310A94Very high87.5Confident0 Ų032 Ų320%016%0.164CC..EExtended strand (participates in β ladder)trans-104129172.400000109.2T302 S303 I318 E319 I320 F340 L342 L347T302-A310 CarbonylContact C-O 3.53Å; T302-A310 VanDerWaalsContact CA-O 3.27Å; T302-A310 WeakPolarHBondContact CA-O 3.35Å; S303-A310 PolarHBondContact N-O 3.04Å; S303-A310 PolarHBondContact O-N 2.88Å; A310-I318 HydrophobicContact CB-CG2 4.11Å; A310-E319 CarbonylContact C-O 3.02Å; A310-E319 VanDerWaalsContact CA-O 3.29Å; A310-E319 WeakPolarHBondContact CA-O 3.5Å; A310-I320 HydrophobicContact CB-CG1 4.2Å; A310-F340 HydrophobicContact CB-CD2 4.44Å; A310-F340 HydrophobicContact CB-CE2 3.61Å; A310-F340 HydrophobicContact CB-CZ 4.36Å; A310-L342 HydrophobicContact CB-CB 4.24Å; A310-L342 HydrophobicContact CB-CD2 3.99Å; A310-L347 HydrophobicContact CB-CD1 3.5Å
311S91.5Very high89.1Confident23 Ų2334.2 Ų34.216%0.16117%0.17CC..EExtended strand (participates in β ladder)trans-133.5132.9179.971.60000110.7L313 I318 E319S311-L313 PolarHBondContact O-N 2.74Å; S311-I318 WeakPolarHBondContact O-CA 3.27Å; S311-E319 PolarHBondContact N-O 2.94Å; S311-E319 PolarHBondContact O-N 2.81Å
312Q90Very high90.2Very high28 Ų2833.1 Ų33.113%0.13117%0.166CC..EExtended strand (participates in β ladder)trans-77.8122.1175.8-176.1173.11600110D314 I337 F340Q312-D314 WeakPolarHBondContact CG-O 3.28Å; Q312-D314 PolarHBondContact NE2-O 3.1Å; Q312-I337 PolarHBondContact NE2-O 3.38Å; Q312-F340 HydrophobicContact CB-CE1 3.88Å
313L85.3Confident90.5Very high77 Ų7734.6 Ų34.640%0.40317%0.172SC..  trans-87.4-42.3179.9-66.7178.7000111.7S311 S317 E319 L330S311-L313 PolarHBondContact O-N 2.74Å; L313-S317 PolarHBondContact N-O 3.47Å; L313-S317 VanDerWaalsContact N-O 3.14Å; L313-E319 HydrophobicContact CD1-CB 3.9Å; L313-E319 HydrophobicContact CD2-CB 4.14Å; L313-E319 HydrophobicContact CG-CB 3.87Å; L313-L330 HydrophobicContact CD1-CD1 3.64Å
314D81.8Confident90.5Very high65 Ų6540 Ų4035%0.34820%0.199SC..SBendtrans-147.9-167.5179.564.348.5000111Q312 G316 S317Q312-D314 WeakPolarHBondContact CG-O 3.28Å; Q312-D314 PolarHBondContact NE2-O 3.1Å; D314-G316 VanDerWaalsContact C-N 3.3Å; D314-G316 PolarHBondContact O-N 2.82Å; D314-G316 WeakPolarHBondContact OD1-CA 3.43Å; D314-G316 PolarHBondContact OD1-N 3.36Å; D314-S317 PolarHBondContact OD1-N 3.27Å; D314-S317 PolarHBondContact OD1-OG 3.48Å; D314-S317 PolarHBondContact OD2-OG 2.86Å
315N80.5Confident90.7Very high29 Ų2942.4 Ų42.416%0.15522%0.216CC..SBendtrans-60.6-33.8-179.2-78.1-26.9000114.1Y297 H299 R336 I337Y297-N315 WeakPolarHBondContact CD1-ND2 3.35Å; Y297-N315 WeakPolarHBondContact CD1-OD1 3.27Å; Y297-N315 VanDerWaalsContact CE1-ND2 3.25Å; Y297-N315 WeakPolarHBondContact CE1-ND2 3.43Å; Y297-N315 WeakPolarHBondContact CE1-OD1 3.45Å; Y297-N315 VanDerWaalsContact CE2-ND2 3.33Å; Y297-N315 WeakPolarHBondContact CE2-ND2 3.37Å; Y297-N315 VanDerWaalsContact CG-OD1 3.28Å; H299-N315 PolarHBondContact NE2-N 3.07Å; H299-N315 PolarHBondContact NE2-OD1 3.39Å; H299-N315 VanDerWaalsContact NE2-OD1 3.11Å; N315-R336 HydrophobicContact CB-CB 4.41Å; N315-R336 HydrophobicContact CB-CG 3.92Å; N315-R336 CarbonylContact O-C 3.53Å; N315-R336 VanDerWaalsContact O-CA 3.23Å; N315-R336 WeakPolarHBondContact O-CA 3.09Å; N315-I337 PolarHBondContact O-N 3.02Å
316G87Confident90.5Very high17 Ų1748.6 Ų48.618%0.17525%0.246CC..SBendtrans-115.6-7.8-17200000115D314 T333 I337D314-G316 VanDerWaalsContact C-N 3.3Å; D314-G316 PolarHBondContact O-N 2.82Å; D314-G316 WeakPolarHBondContact OD1-CA 3.43Å; D314-G316 PolarHBondContact OD1-N 3.36Å; G316-T333 PolarHBondContact O-N 2.7Å; G316-T333 PolarHBondContact O-OG1 2.83Å; G316-I337 VanDerWaalsContact C-CD1 3.41Å; G316-I337 WeakPolarHBondContact O-CD1 3.36Å
317S91.1Very high90.6Very high6 Ų647.3 Ų47.34%0.04225%0.249CC..EExtended strand (participates in β ladder)trans-122.2143.1-173.173.10000115L313 D314 L331L313-S317 PolarHBondContact N-O 3.47Å; L313-S317 VanDerWaalsContact N-O 3.14Å; D314-S317 PolarHBondContact OD1-N 3.27Å; D314-S317 PolarHBondContact OD1-OG 3.48Å; D314-S317 PolarHBondContact OD2-OG 2.86Å; S317-L331 CarbonylContact C-O 3.57Å; S317-L331 VanDerWaalsContact CA-O 3.24Å; S317-L331 WeakPolarHBondContact CA-O 3.12Å
318I94Very high90.8Very high1 Ų147.8 Ų47.81%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-125.4125.3176.3-54.1176.8000108.5A310 S311 L331 I337 F340 L347 A349A310-I318 HydrophobicContact CB-CG2 4.11Å; S311-I318 WeakPolarHBondContact O-CA 3.27Å; I318-L331 HydrophobicContact CB-CB 4.35Å; I318-L331 PolarHBondContact N-O 2.8Å; I318-L331 PolarHBondContact O-N 2.77Å; I318-I337 HydrophobicContact CD1-CD1 3.83Å; I318-I337 HydrophobicContact CD1-CG2 4.39Å; I318-I337 HydrophobicContact CG1-CD1 3.47Å; I318-I337 VanDerWaalsContact CG1-CD1 3.47Å; I318-F340 HydrophobicContact CD1-CB 4.02Å; I318-F340 HydrophobicContact CD1-CD1 4.11Å; I318-F340 HydrophobicContact CD1-CD2 4.2Å; I318-F340 HydrophobicContact CD1-CG 3.84Å; I318-F340 HydrophobicContact CG2-CE2 4.34Å; I318-F340 HydrophobicContact CG2-CZ 4.42Å; I318-L347 HydrophobicContact CD1-CD2 3.85Å; I318-L347 HydrophobicContact CG2-CD1 4.03Å; I318-A349 HydrophobicContact CD1-CB 3.98Å
319E94.5Very high90.9Very high59 Ų5951.4 Ų51.428%0.27627%0.273SS..EExtended strand (participates in β ladder)trans-88.1125.6169-172.9-176.8-113.600109.7A310 S311 L313 V328A310-E319 CarbonylContact C-O 3.02Å; A310-E319 VanDerWaalsContact CA-O 3.29Å; A310-E319 WeakPolarHBondContact CA-O 3.5Å; S311-E319 PolarHBondContact N-O 2.94Å; S311-E319 PolarHBondContact O-N 2.81Å; L313-E319 HydrophobicContact CD1-CB 3.9Å; L313-E319 HydrophobicContact CD2-CB 4.14Å; L313-E319 HydrophobicContact CG-CB 3.87Å; E319-V328 HydrophobicContact CG-CG1 3.44Å; E319-V328 VanDerWaalsContact CG-CG1 3.44Å; E319-V328 WeakPolarHBondContact OE1-CG1 3.5Å
320I95.2Very high91Very high3 Ų354 Ų542%0.01529%0.288CS..EExtended strand (participates in β ladder)trans-105.2117.2167.8-60.4-172.9000108.8L308 E309 A310 V328 E329 L331 L347 W363L308-I320 HydrophobicContact CD2-CG2 4.32Å; E309-I320 CarbonylContact O-C 3.51Å; E309-I320 WeakPolarHBondContact O-CA 3.35Å; A310-I320 HydrophobicContact CB-CG1 4.2Å; I320-V328 CarbonylContact O-C 3.53Å; I320-V328 WeakPolarHBondContact O-CA 3.41Å; I320-E329 HydrophobicContact CB-CB 4.39Å; I320-E329 PolarHBondContact N-O 3Å; I320-E329 PolarHBondContact O-N 3.4Å; I320-L331 HydrophobicContact CD1-CD1 3.42Å; I320-L331 VanDerWaalsContact CD1-CD1 3.42Å; I320-L331 HydrophobicContact CD1-CG 4.14Å; I320-L331 HydrophobicContact CG1-CD1 3.94Å; I320-L331 HydrophobicContact CG1-CG 4.29Å; I320-L347 HydrophobicContact CD1-CB 4.4Å; I320-L347 HydrophobicContact CD1-CD1 3.84Å; I320-L347 HydrophobicContact CG1-CD1 4.16Å; I320-W363 HydrophobicContact CD1-CD2 3.9Å; I320-W363 HydrophobicContact CD1-CE3 3.49Å; I320-W363 VanDerWaalsContact CD1-CE3 3.49Å; I320-W363 HydrophobicContact CD1-CH2 3.4Å; I320-W363 HydrophobicContact CD1-CZ2 3.71Å; I320-W363 HydrophobicContact CD1-CZ3 3.27Å; I320-W363 HydrophobicContact CG2-CZ2 4.09Å
321K94.6Very high91Very high72 Ų7254.3 Ų54.331%0.31329%0.289SS..EExtended strand (participates in β ladder)trans-106.4129.5173.8-172.1171.1-176.5176.20110.7E309 L323 A327 V328E309-K321 PolarHBondContact N-O 3.23Å; E309-K321 PolarHBondContact O-N 2.7Å; K321-L323 HydrophobicContact CD-CD2 4.41Å; K321-L323 HydrophobicContact CG-CD2 4.42Å; K321-A327 CarbonylContact C-O 3.4Å; K321-A327 WeakPolarHBondContact CA-O 3.31Å; K321-V328 HydrophobicContact CG-CG2 4.17Å
322N93Very high91Very high28 Ų2859.8 Ų59.815%0.1531%0.312CS..EExtended strand (participates in β ladder)trans-91.1114.4167.3-178.7-15.5000109.5L308 L324 N325 E326 A327L308-N322 HydrophobicContact CD2-CB 3.87Å; N322-L324 VanDerWaalsContact C-N 3.26Å; N322-L324 PolarHBondContact O-N 3.21Å; N322-L324 PolarHBondContact OD1-N 2.91Å; N322-N325 WeakPolarHBondContact CB-OD1 3.44Å; N322-N325 PolarHBondContact ND2-OD1 2.82Å; N322-E326 WeakPolarHBondContact O-CA 3.34Å; N322-E326 PolarHBondContact O-N 3.29Å; N322-A327 HydrophobicContact CB-CB 4.39Å; N322-A327 PolarHBondContact N-O 2.99Å
323L89.4Confident91Very high70 Ų7059.2 Ų59.237%0.36631%0.311SS..THydrogen-bonded Turntrans-72.8-13.1-174.3-59.8174.9000113.8Q307 E309 K321Q307-L323 VanDerWaalsContact O-CB 3.32Å; Q307-L323 WeakPolarHBondContact O-CB 3.42Å; Q307-L323 WeakPolarHBondContact O-CG 3.4Å; Q307-L323 PolarHBondContact O-N 2.86Å; E309-L323 HydrophobicContact CB-CD1 4.41Å; E309-L323 HydrophobicContact CB-CD2 4.44Å; E309-L323 HydrophobicContact CB-CG 4.44Å; K321-L323 HydrophobicContact CD-CD2 4.41Å; K321-L323 HydrophobicContact CG-CD2 4.42Å
324L89.3Confident91.2Very high120 Ų12062.3 Ų62.363%0.62833%0.328SS*.THydrogen-bonded Turntrans-81.3-42.7175.4-75.9-168.7000113.6Q307 N322Q307-L324 HydrophobicContact CB-CG 4.07Å; Q307-L324 HydrophobicContact CG-CD1 4.22Å; Q307-L324 HydrophobicContact CG-CD2 4.06Å; Q307-L324 HydrophobicContact CG-CG 3.7Å; Q307-L324 VanDerWaalsContact OE1-CG 3.25Å; N322-L324 VanDerWaalsContact C-N 3.26Å; N322-L324 PolarHBondContact O-N 3.21Å; N322-L324 PolarHBondContact OD1-N 2.91Å
325N92.9Very high91.2Very high104 Ų10460.7 Ų60.756%0.55632%0.322SS*.THydrogen-bonded Turntrans-118.94.1-171.868.1-8.5000112.9N322 A327N322-N325 WeakPolarHBondContact CB-OD1 3.44Å; N322-N325 PolarHBondContact ND2-OD1 2.82Å; N325-A327 PolarHBondContact O-N 3.32Å; N325-A327 VanDerWaalsContact OD1-CB 3.31Å; N325-A327 WeakPolarHBondContact OD1-CB 3.46Å; N325-A327 PolarHBondContact OD1-N 3.23Å; N325-A327 VanDerWaalsContact OD1-N 3.12Å
326E89.5Confident91.4Very high146 Ų14660 Ų6068%0.68232%0.317SS*.  trans56.419.2-177.6-55.1-172154.500114.3N322 V328N322-E326 WeakPolarHBondContact O-CA 3.34Å; N322-E326 PolarHBondContact O-N 3.29Å; E326-V328 PolarHBondContact O-N 3.32Å
327A93.4Very high91.4Very high41 Ų4159.2 Ų59.234%0.33931%0.309SS..  trans-65.2134.7173.200000109.6K321 N322 N325K321-A327 CarbonylContact C-O 3.4Å; K321-A327 WeakPolarHBondContact CA-O 3.31Å; N322-A327 HydrophobicContact CB-CB 4.39Å; N322-A327 PolarHBondContact N-O 2.99Å; N325-A327 PolarHBondContact O-N 3.32Å; N325-A327 VanDerWaalsContact OD1-CB 3.31Å; N325-A327 WeakPolarHBondContact OD1-CB 3.46Å; N325-A327 PolarHBondContact OD1-N 3.23Å; N325-A327 VanDerWaalsContact OD1-N 3.12Å
328V94.3Very high91Very high73 Ų7359.8 Ų59.844%0.44231%0.313SS..EExtended strand (participates in β ladder)trans-121.1130.2-179.8-178.60000108.5E319 I320 K321 E326E319-V328 HydrophobicContact CG-CG1 3.44Å; E319-V328 VanDerWaalsContact CG-CG1 3.44Å; E319-V328 WeakPolarHBondContact OE1-CG1 3.5Å; I320-V328 CarbonylContact O-C 3.53Å; I320-V328 WeakPolarHBondContact O-CA 3.41Å; K321-V328 HydrophobicContact CG-CG2 4.17Å; E326-V328 PolarHBondContact O-N 3.32Å
329E94.9Very high90.7Very high81 Ų8161.2 Ų61.238%0.37932%0.319SS..EExtended strand (participates in β ladder)trans-121134.9175.7-64.5-73.3179.100108.4I320I320-E329 HydrophobicContact CB-CB 4.39Å; I320-E329 PolarHBondContact N-O 3Å; I320-E329 PolarHBondContact O-N 3.4Å
330L94.8Very high90.6Very high90 Ų9058.5 Ų58.547%0.47131%0.306SS..EExtended strand (participates in β ladder)trans-105.8119.7177.1-176.666.1000109.1L313 E332L313-L330 HydrophobicContact CD1-CD1 3.64Å; L330-E332 HydrophobicContact CG-CG 4.44Å
331L94.4Very high90.6Very high7 Ų761.6 Ų61.64%0.03732%0.321CS..EExtended strand (participates in β ladder)trans-102.8130.5176.5-48.7-174.9000109.4S317 I318 I320 L347 F358 W363S317-L331 CarbonylContact C-O 3.57Å; S317-L331 VanDerWaalsContact CA-O 3.24Å; S317-L331 WeakPolarHBondContact CA-O 3.12Å; I318-L331 HydrophobicContact CB-CB 4.35Å; I318-L331 PolarHBondContact N-O 2.8Å; I318-L331 PolarHBondContact O-N 2.77Å; I320-L331 HydrophobicContact CD1-CD1 3.42Å; I320-L331 VanDerWaalsContact CD1-CD1 3.42Å; I320-L331 HydrophobicContact CD1-CG 4.14Å; I320-L331 HydrophobicContact CG1-CD1 3.94Å; I320-L331 HydrophobicContact CG1-CG 4.29Å; L331-L347 HydrophobicContact CD1-CD1 4.46Å; L331-L347 HydrophobicContact CD1-CD2 4.21Å; L331-F358 HydrophobicContact CB-CE1 4Å; L331-F358 HydrophobicContact CB-CZ 4.03Å; L331-F358 HydrophobicContact CD1-CB 4.2Å; L331-F358 HydrophobicContact CD1-CD1 3.79Å; L331-F358 HydrophobicContact CD1-CD2 3.89Å; L331-F358 HydrophobicContact CD1-CE1 4.06Å; L331-F358 HydrophobicContact CD1-CE2 4.13Å; L331-F358 HydrophobicContact CD1-CG 3.71Å; L331-F358 HydrophobicContact CD1-CZ 4.23Å; L331-F358 HydrophobicContact CD2-CD1 4.04Å; L331-F358 HydrophobicContact CD2-CE1 4.19Å; L331-F358 HydrophobicContact CG-CD1 4.35Å; L331-F358 HydrophobicContact CG-CE1 4.32Å; L331-W363 HydrophobicContact CD1-CE3 4.12Å; L331-W363 HydrophobicContact CD2-CB 3.76Å; L331-W363 HydrophobicContact CD2-CE3 4.42Å; L331-W363 HydrophobicContact CD2-CG 4.33Å
332E92.2Very high90.6Very high138 Ų13858.3 Ų58.365%0.64531%0.306SS*.EExtended strand (participates in β ladder)trans-117.1148.1179.1-64.9-178.5171.200110.8L330L330-E332 HydrophobicContact CG-CG 4.44Å
333T90.1Very high90.7Very high16 Ų1657.2 Ų57.210%0.09830%0.301CS..  trans-127.8155.9175.860.50000109.8G316 S335 I337 T351 Y356 F358G316-T333 PolarHBondContact O-N 2.7Å; G316-T333 PolarHBondContact O-OG1 2.83Å; T333-S335 PolarHBondContact O-N 3Å; T333-S335 PolarHBondContact OG1-O 2.95Å; T333-I337 HydrophobicContact CG2-CD1 4.32Å; T333-I337 HydrophobicContact CG2-CG1 4.07Å; T333-I337 WeakPolarHBondContact OG1-CG1 3.26Å; T333-T351 HydrophobicContact CG2-CG2 4.41Å; T333-Y356 HydrophobicContact CG2-CD1 4.08Å; T333-Y356 HydrophobicContact CG2-CD2 3.86Å; T333-Y356 HydrophobicContact CG2-CE1 4.09Å; T333-Y356 HydrophobicContact CG2-CE2 3.89Å; T333-Y356 HydrophobicContact CG2-CG 3.97Å; T333-F358 HydrophobicContact CG2-CZ 4.47Å
334N87.6Confident90.9Very high143 Ų14356.3 Ų56.377%0.76529%0.293SS*.SBendtrans-79.4-3.4-175.6-62.9-24.5000113.3Y356N334-Y356 PolarHBondContact N-OH 3.22Å; N334-Y356 VanDerWaalsContact N-OH 3.16Å
335S83.6Confident91.2Very high31 Ų3153.9 Ų53.922%0.21728%0.281CS..SBendtrans-155.8164.1-171.655.30000109.9T333 I337 T351T333-S335 PolarHBondContact O-N 3Å; T333-S335 PolarHBondContact OG1-O 2.95Å; S335-I337 PolarHBondContact O-N 3.41Å; S335-T351 WeakPolarHBondContact OG-CB 3.31Å; S335-T351 WeakPolarHBondContact OG-CG2 3.32Å; S335-T351 PolarHBondContact OG-OG1 2.92Å
336R83.3Confident91.4Very high13 Ų1349.8 Ų49.85%0.04926%0.258CS..  trans-57.4124.1-177.1-172.5-17578.5-144.38.3112.4D280 S282 N315 C338 T351 Q352D280-R336 IonicContact OD1-NH2 3.13Å; D280-R336 IonicContact OD2-CZ 3.73Å; D280-R336 IonicContact OD2-NH2 3.96Å; D280-R336 PolarHBondContact OD2-NH2 3.43Å; S282-R336 PolarHBondContact OG-NE 3.15Å; S282-R336 PolarHBondContact OG-NH2 2.83Å; N315-R336 HydrophobicContact CB-CB 4.41Å; N315-R336 HydrophobicContact CB-CG 3.92Å; N315-R336 CarbonylContact O-C 3.53Å; N315-R336 VanDerWaalsContact O-CA 3.23Å; N315-R336 WeakPolarHBondContact O-CA 3.09Å; R336-C338 PolarHBondContact O-N 2.77Å; R336-C338 PolarHBondContact O-SG 3.44Å; R336-T351 VanDerWaalsContact O-CA 3.24Å; R336-T351 WeakPolarHBondContact O-CA 3.35Å; R336-T351 VanDerWaalsContact O-CB 3.3Å; R336-T351 WeakPolarHBondContact O-CB 3.4Å; R336-Q352 VanDerWaalsContact CZ-NE2 3.26Å; R336-Q352 VanDerWaalsContact NH2-NE2 3.19Å
337I87.6Confident91.7Very high2 Ų242.8 Ų42.81%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-68.5119.5167.9-59.7153.6000108.1Q312 N315 G316 I318 T333 S335 F340Q312-I337 PolarHBondContact NE2-O 3.38Å; N315-I337 PolarHBondContact O-N 3.02Å; G316-I337 VanDerWaalsContact C-CD1 3.41Å; G316-I337 WeakPolarHBondContact O-CD1 3.36Å; I318-I337 HydrophobicContact CD1-CD1 3.83Å; I318-I337 HydrophobicContact CD1-CG2 4.39Å; I318-I337 HydrophobicContact CG1-CD1 3.47Å; I318-I337 VanDerWaalsContact CG1-CD1 3.47Å; T333-I337 HydrophobicContact CG2-CD1 4.32Å; T333-I337 HydrophobicContact CG2-CG1 4.07Å; T333-I337 WeakPolarHBondContact OG1-CG1 3.26Å; S335-I337 PolarHBondContact O-N 3.41Å; I337-F340 HydrophobicContact CG2-CB 4.38Å; I337-F340 HydrophobicContact CG2-CD1 4.31Å
338C83.2Confident91.9Very high18 Ų1840.9 Ų40.912%0.12221%0.209CC..EExtended strand (participates in β ladder)trans-94.8-35.9179.6-57.70000111.2R336 A350 Q352R336-C338 PolarHBondContact O-N 2.77Å; R336-C338 PolarHBondContact O-SG 3.44Å; C338-A350 PolarHBondContact N-O 3.26Å; C338-Q352 VanDerWaalsContact SG-CG 3.53Å
339K86.8Confident91.9Very high31 Ų3137.4 Ų37.414%0.13519%0.188CC..EExtended strand (participates in β ladder)trans-153.6145.9-179.2-15577.2173175.10109.8E301 A350 I378E301-K339 WeakPolarHBondContact OE1-CD 3.28Å; E301-K339 WeakPolarHBondContact OE1-CE 3.28Å; E301-K339 IonicContact OE1-NZ 3.54Å; E301-K339 PolarHBondContact OE1-NZ 2.99Å; E301-K339 VanDerWaalsContact OE2-CD 3.25Å; E301-K339 WeakPolarHBondContact OE2-CD 3.45Å; E301-K339 IonicContact OE2-NZ 3.56Å; K339-A350 PolarHBondContact N-O 2.74Å; K339-A350 PolarHBondContact O-N 2.95Å; K339-I378 HydrophobicContact CB-CD1 4.07Å; K339-I378 HydrophobicContact CB-CG1 4.4Å; K339-I378 HydrophobicContact CG-CD1 4.23Å; K339-I378 HydrophobicContact CG-CG1 4.18Å
340F93.2Very high91.8Very high1 Ų133.5 Ų33.50%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-147.9155.8167.977.2-85.7000112.2E301 A310 Q312 I318 I337 L347 V348 A349E301-F340 HydrophobicContact CB-CD1 4.28Å; E301-F340 HydrophobicContact CB-CE1 3.75Å; E301-F340 HydrophobicContact CB-CZ 4.22Å; E301-F340 WeakPolarHBondContact O-CE1 3.06Å; E301-F340 WeakPolarHBondContact O-CZ 3.21Å; E301-F340 PolarHBondContact OE2-N 2.9Å; A310-F340 HydrophobicContact CB-CD2 4.44Å; A310-F340 HydrophobicContact CB-CE2 3.61Å; A310-F340 HydrophobicContact CB-CZ 4.36Å; Q312-F340 HydrophobicContact CB-CE1 3.88Å; I318-F340 HydrophobicContact CD1-CB 4.02Å; I318-F340 HydrophobicContact CD1-CD1 4.11Å; I318-F340 HydrophobicContact CD1-CD2 4.2Å; I318-F340 HydrophobicContact CD1-CG 3.84Å; I318-F340 HydrophobicContact CG2-CE2 4.34Å; I318-F340 HydrophobicContact CG2-CZ 4.42Å; I337-F340 HydrophobicContact CG2-CB 4.38Å; I337-F340 HydrophobicContact CG2-CD1 4.31Å; F340-L347 HydrophobicContact CD2-CD1 3.96Å; F340-L347 HydrophobicContact CD2-CG 4.33Å; F340-L347 HydrophobicContact CE2-CD1 4.28Å; F340-V348 CarbonylContact C-O 3.6Å; F340-V348 WeakPolarHBondContact CA-O 3.11Å; F340-V348 WeakPolarHBondContact CB-O 3.28Å; F340-A349 HydrophobicContact CB-CB 3.91Å
341Q93.9Very high91.5Very high69 Ų6929.3 Ų29.332%0.32215%0.148SC..EExtended strand (participates in β ladder)trans-139.5137175.4-172.265.623.500109.8S303 L347 V348 I378 L380S303-Q341 PolarHBondContact OG-NE2 3.34Å; Q341-L347 WeakPolarHBondContact O-CA 3.31Å; Q341-V348 PolarHBondContact N-O 2.87Å; Q341-V348 PolarHBondContact O-N 3.1Å; Q341-I378 HydrophobicContact CB-CB 4.18Å; Q341-I378 HydrophobicContact CB-CG2 3.92Å; Q341-L380 HydrophobicContact CB-CD1 4Å; Q341-L380 HydrophobicContact CB-CG 4.1Å; Q341-L380 HydrophobicContact CG-CD1 3.63Å; Q341-L380 HydrophobicContact CG-CG 3.72Å
342L95.1Very high90.7Very high3 Ų330.2 Ų30.22%0.01615%0.152CC..EExtended strand (participates in β ladder)trans-104.1132.4172.6-179.972.8000109S303 W305 L308 A310 H346 L347 W363S303-L342 PolarHBondContact OG-N 3.09Å; W305-L342 HydrophobicContact CB-CD2 4.01Å; W305-L342 HydrophobicContact CB-CG 3.87Å; L308-L342 HydrophobicContact CB-CD2 3.71Å; A310-L342 HydrophobicContact CB-CB 4.24Å; A310-L342 HydrophobicContact CB-CD2 3.99Å; L342-H346 WeakPolarHBondContact CA-O 3.44Å; L342-L347 HydrophobicContact CB-CD1 4.48Å; L342-L347 HydrophobicContact CD1-CB 3.95Å; L342-L347 HydrophobicContact CD1-CD1 4.25Å; L342-W363 HydrophobicContact CD1-CH2 4.24Å
343G94.8Very high90.2Very high4 Ų426.5 Ų26.54%0.04114%0.139CC..EExtended strand (participates in β ladder)trans174.9154.3178.800000112.7D345 H346G343-D345 VanDerWaalsContact C-N 3.32Å; G343-D345 PolarHBondContact O-N 2.95Å; G343-H346 PolarHBondContact N-O 3.46Å; G343-H346 CarbonylContact O-C 3.49Å; G343-H346 WeakPolarHBondContact O-CA 3.05Å; G343-H346 PolarHBondContact O-N 3.29Å
344W95Very high90.3Very high51 Ų5128 Ų2819%0.19315%0.145CC..THydrogen-bonded Turntrans53.843.6174.5-52.9102.8000113.8H346 L380 A381 E382 Q471 D514W344-H346 PolarHBondContact O-CD2 3.32Å; W344-H346 PolarHBondContact O-N 2.78Å; W344-L380 PolarHBondContact NE1-O 3.06Å; W344-L380 VanDerWaalsContact NE1-O 3.11Å; W344-A381 VanDerWaalsContact NE1-C 3.34Å; W344-E382 VanDerWaalsContact CD2-CA 3.5Å; W344-E382 HydrophobicContact CD2-CB 4.17Å; W344-E382 HydrophobicContact CE3-CB 3.78Å; W344-E382 HydrophobicContact CE3-CG 4.09Å; W344-E382 HydrophobicContact CH2-CB 4.2Å; W344-E382 HydrophobicContact CZ3-CB 3.8Å; W344-E382 HydrophobicContact CZ3-CG 4.12Å; W344-Q471 HydrophobicContact CH2-CB 4.42Å; W344-Q471 HydrophobicContact CZ2-CG 4.38Å; W344-D514 HydrophobicContact CH2-CB 3.81Å; W344-D514 WeakPolarHBondContact CH2-O 3.28Å; W344-D514 HydrophobicContact CZ2-CB 4.06Å; W344-D514 HydrophobicContact CZ3-CB 4.46Å
345D94.8Very high90.7Very high69 Ų6921.2 Ų21.237%0.36911%0.109SC..THydrogen-bonded Turntrans60.716.9-174.5-66.8-56.6000115.6W305 G343 R360W305-D345 HydrophobicContact CH2-CB 4.24Å; W305-D345 VanDerWaalsContact CH2-CG 3.42Å; W305-D345 VanDerWaalsContact CH2-OD1 3.26Å; W305-D345 WeakPolarHBondContact CH2-OD1 3.27Å; W305-D345 HydrophobicContact CZ3-CB 4.33Å; W305-D345 WeakPolarHBondContact CZ3-OD1 3.4Å; G343-D345 VanDerWaalsContact C-N 3.32Å; G343-D345 PolarHBondContact O-N 2.95Å; D345-R360 HydrophobicContact CB-CB 4.11Å; D345-R360 WeakPolarHBondContact O-CB 3.41Å; D345-R360 PolarHBondContact O-N 2.89Å; D345-R360 WeakPolarHBondContact OD1-CD 2.89Å; D345-R360 IonicContact OD1-CZ 3.09Å; D345-R360 IonicContact OD1-NE 2.78Å; D345-R360 IonicContact OD1-NH1 3.73Å; D345-R360 PolarHBondContact OD1-NH1 3.29Å
346H96.5Very high91.3Very high18 Ų1819.9 Ų19.98%0.08310%0.099CC..EExtended strand (participates in β ladder)trans-126.4147.3179.3-66.3-71000112.3L342 G343 W344 F358 Y398L342-H346 WeakPolarHBondContact CA-O 3.44Å; G343-H346 PolarHBondContact N-O 3.46Å; G343-H346 CarbonylContact O-C 3.49Å; G343-H346 WeakPolarHBondContact O-CA 3.05Å; G343-H346 PolarHBondContact O-N 3.29Å; W344-H346 PolarHBondContact O-CD2 3.32Å; W344-H346 PolarHBondContact O-N 2.78Å; H346-F358 CarbonylContact C-O 3.59Å; H346-F358 VanDerWaalsContact CA-O 3.31Å; H346-F358 WeakPolarHBondContact CA-O 3.34Å; H346-Y398 HydrophobicContact CB-CD1 3.75Å; H346-Y398 HydrophobicContact CB-CE1 3.58Å; H346-Y398 AromaticContact CD2-CD1 3.46Å; H346-Y398 VanDerWaalsContact CD2-CD1 3.46Å; H346-Y398 WeakPolarHBondContact CD2-CD1 3.34Å; H346-Y398 AromaticContact CD2-CD2 3.38Å; H346-Y398 WeakPolarHBondContact CD2-CD2 3.39Å; H346-Y398 AromaticContact CD2-CE1 3.65Å; H346-Y398 AromaticContact CD2-CE2 3.57Å; H346-Y398 AromaticContact CD2-CG 3.31Å; H346-Y398 AromaticContact CD2-CZ 3.7Å; H346-Y398 AromaticContact CE1-CG 3.78Å; H346-Y398 AromaticContact CG-CD1 3.42Å; H346-Y398 VanDerWaalsContact CG-CD1 3.42Å; H346-Y398 AromaticContact CG-CE1 3.67Å; H346-Y398 AromaticContact CG-CG 3.72Å; H346-Y398 AromaticContact ND1-CD1 3.89Å; H346-Y398 AromaticContact ND1-CG 4Å; H346-Y398 AromaticContact NE2-CD1 3.96Å; H346-Y398 AromaticContact NE2-CD2 3.5Å; H346-Y398 AromaticContact NE2-CG 3.39Å
347L96.9Very high92Very high0 Ų019.5 Ų19.50%010%0.098CC..EExtended strand (participates in β ladder)trans-115120161.4-175.5144.1000108.2A310 I318 I320 L331 F340 Q341 L342 A349 F358 W363A310-L347 HydrophobicContact CB-CD1 3.5Å; I318-L347 HydrophobicContact CD1-CD2 3.85Å; I318-L347 HydrophobicContact CG2-CD1 4.03Å; I320-L347 HydrophobicContact CD1-CB 4.4Å; I320-L347 HydrophobicContact CD1-CD1 3.84Å; I320-L347 HydrophobicContact CG1-CD1 4.16Å; L331-L347 HydrophobicContact CD1-CD1 4.46Å; L331-L347 HydrophobicContact CD1-CD2 4.21Å; F340-L347 HydrophobicContact CD2-CD1 3.96Å; F340-L347 HydrophobicContact CD2-CG 4.33Å; F340-L347 HydrophobicContact CE2-CD1 4.28Å; Q341-L347 WeakPolarHBondContact O-CA 3.31Å; L342-L347 HydrophobicContact CB-CD1 4.48Å; L342-L347 HydrophobicContact CD1-CB 3.95Å; L342-L347 HydrophobicContact CD1-CD1 4.25Å; L347-A349 HydrophobicContact CD2-CB 3.99Å; L347-F358 HydrophobicContact CB-CB 4.29Å; L347-F358 HydrophobicContact CD2-CD2 3.58Å; L347-F358 HydrophobicContact CD2-CE2 4.05Å; L347-F358 PolarHBondContact N-O 2.8Å; L347-F358 PolarHBondContact O-N 2.98Å; L347-W363 HydrophobicContact CB-CZ3 3.9Å
348V96.9Very high92.4Very high0 Ų019.7 Ų19.70%010%0.099CC..EExtended strand (participates in β ladder)trans-106119.2175.9-178.10000107.9F340 Q341 Y356 I357 I378 L380 F385 L387 Y398F340-V348 CarbonylContact C-O 3.6Å; F340-V348 WeakPolarHBondContact CA-O 3.11Å; F340-V348 WeakPolarHBondContact CB-O 3.28Å; Q341-V348 PolarHBondContact N-O 2.87Å; Q341-V348 PolarHBondContact O-N 3.1Å; V348-Y356 CarbonylContact C-O 3.51Å; V348-Y356 WeakPolarHBondContact CA-O 3.17Å; V348-I357 HydrophobicContact CG2-CG2 4.44Å; V348-I378 HydrophobicContact CB-CG2 4.31Å; V348-I378 HydrophobicContact CG1-CD1 4.33Å; V348-I378 HydrophobicContact CG1-CG2 4.24Å; V348-L380 HydrophobicContact CB-CD2 4.12Å; V348-L380 HydrophobicContact CG2-CD2 3.71Å; V348-F385 HydrophobicContact CG1-CD2 4.02Å; V348-F385 HydrophobicContact CG1-CE2 3.81Å; V348-F385 HydrophobicContact CG1-CZ 4.35Å; V348-F385 HydrophobicContact CG2-CD1 4.39Å; V348-F385 HydrophobicContact CG2-CD2 4.35Å; V348-F385 HydrophobicContact CG2-CG 4.27Å; V348-L387 HydrophobicContact CG1-CD2 4.34Å; V348-Y398 HydrophobicContact CG2-CD1 4.39Å; V348-Y398 HydrophobicContact CG2-CE1 4.02Å
349A94.8Very high93Very high0 Ų024 Ų240%011%0.112CC..EExtended strand (participates in β ladder)trans-118.3125.7176.900000110.1I318 F340 L347 C355 Y356 F358I318-A349 HydrophobicContact CD1-CB 3.98Å; F340-A349 HydrophobicContact CB-CB 3.91Å; L347-A349 HydrophobicContact CD2-CB 3.99Å; A349-C355 CarbonylContact O-C 3.59Å; A349-C355 WeakPolarHBondContact O-CA 3.02Å; A349-Y356 PolarHBondContact N-O 2.84Å; A349-Y356 PolarHBondContact O-N 3.23Å; A349-F358 HydrophobicContact CB-CE2 4.4Å
350A91.7Very high93.3Very high0 Ų026.8 Ų26.80%012%0.122CC..EExtended strand (participates in β ladder)trans-100.7123.5173.300000109.4C338 K339 L371 V375 I378C338-A350 PolarHBondContact N-O 3.26Å; K339-A350 PolarHBondContact N-O 2.74Å; K339-A350 PolarHBondContact O-N 2.95Å; A350-L371 HydrophobicContact CB-CD1 4.18Å; A350-V375 HydrophobicContact CB-CB 3.76Å; A350-V375 HydrophobicContact CB-CG1 3.94Å; A350-V375 HydrophobicContact CB-CG2 3.97Å; A350-I378 HydrophobicContact CB-CD1 4.05Å
351T88.5Confident93.3Very high1 Ų131.5 Ų31.51%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-93.5-174.1165.980.20000109.8T333 S335 R336 T353 Q354 Y356 L371T333-T351 HydrophobicContact CG2-CG2 4.41Å; S335-T351 WeakPolarHBondContact OG-CB 3.31Å; S335-T351 WeakPolarHBondContact OG-CG2 3.32Å; S335-T351 PolarHBondContact OG-OG1 2.92Å; R336-T351 VanDerWaalsContact O-CA 3.24Å; R336-T351 WeakPolarHBondContact O-CA 3.35Å; R336-T351 VanDerWaalsContact O-CB 3.3Å; R336-T351 WeakPolarHBondContact O-CB 3.4Å; T351-T353 PolarHBondContact O-N 3.31Å; T351-T353 PolarHBondContact OG1-N 2.97Å; T351-Q354 PolarHBondContact N-O 2.87Å; T351-Q354 PolarHBondContact OG1-N 2.99Å; T351-Q354 PolarHBondContact OG1-O 2.87Å; T351-Q354 VanDerWaalsContact OG1-O 3.11Å; T351-Y356 HydrophobicContact CG2-CD2 3.92Å; T351-Y356 HydrophobicContact CG2-CE2 3.65Å; T351-L371 VanDerWaalsContact O-CD1 3.23Å; T351-L371 WeakPolarHBondContact O-CD1 3.44Å
352Q77.3Confident93.3Very high26 Ų2631.4 Ų31.412%0.12116%0.157CC..SBendtrans-64.6-27.5175.7-65.8-179.3-9.500113.5C23 A41 R336 C338C23-Q352 PolarHBondContact O-NE2 3.17Å; C23-Q352 PolarHBondContact SG-OE1 2.92Å; A41-Q352 VanDerWaalsContact CB-OE1 3.28Å; R336-Q352 VanDerWaalsContact CZ-NE2 3.26Å; R336-Q352 VanDerWaalsContact NH2-NE2 3.19Å; C338-Q352 VanDerWaalsContact SG-CG 3.53Å
353T82.8Confident93.2Very high60 Ų6032.4 Ų32.437%0.36816%0.16SC..SBendtrans-128.6-17.7-170.656.30000113.6T351 E370 L371T351-T353 PolarHBondContact O-N 3.31Å; T351-T353 PolarHBondContact OG1-N 2.97Å; T353-E370 CarbonylContact O-C 3.6Å; T353-E370 WeakPolarHBondContact O-CA 3.26Å; T353-L371 PolarHBondContact O-N 3.05Å
354Q92.3Very high92.9Very high48 Ų4838.3 Ų38.322%0.22419%0.191CC..EExtended strand (participates in β ladder)trans-137.6150.7-172.6-67.8-178.7-28.800111.4T351 Y356 F369 L371T351-Q354 PolarHBondContact N-O 2.87Å; T351-Q354 PolarHBondContact OG1-N 2.99Å; T351-Q354 PolarHBondContact OG1-O 2.87Å; T351-Q354 VanDerWaalsContact OG1-O 3.11Å; Q354-Y356 HydrophobicContact CB-CD2 4.42Å; Q354-Y356 HydrophobicContact CB-CE2 3.89Å; Q354-Y356 PolarHBondContact OE1-OH 3.25Å; Q354-F369 CarbonylContact C-O 3.45Å; Q354-F369 VanDerWaalsContact CA-O 3.3Å; Q354-F369 WeakPolarHBondContact CA-O 3.32Å; Q354-L371 VanDerWaalsContact O-CD1 3.3Å; Q354-L371 WeakPolarHBondContact O-CD1 3.35Å
355C95.2Very high92.8Very high0 Ų040.2 Ų40.20%021%0.209CC..EExtended strand (participates in β ladder)trans-107.9133.8167.8-170.80000108.6A349 M368 F369 L371 L387A349-C355 CarbonylContact O-C 3.59Å; A349-C355 WeakPolarHBondContact O-CA 3.02Å; C355-M368 VanDerWaalsContact O-CA 3.31Å; C355-M368 WeakPolarHBondContact O-CA 3.13Å; C355-F369 HydrophobicContact CB-CD1 4.23Å; C355-F369 HydrophobicContact CB-CD2 4.06Å; C355-F369 HydrophobicContact CB-CE1 3.72Å; C355-F369 HydrophobicContact CB-CE2 3.53Å; C355-F369 HydrophobicContact CB-CG 4.39Å; C355-F369 HydrophobicContact CB-CZ 3.36Å; C355-F369 PolarHBondContact N-O 2.94Å; C355-F369 PolarHBondContact O-N 2.84Å; C355-F369 VanDerWaalsContact O-N 3.15Å; C355-L371 HydrophobicContact CB-CD2 3.93Å; C355-L371 HydrophobicContact CB-CG 4.22Å; C355-L387 HydrophobicContact CB-CD1 4.38Å
356Y96.7Very high92.9Very high4 Ų438.4 Ų38.42%0.01620%0.2CC..EExtended strand (participates in β ladder)trans-111.4130.2174.6-68.4-107.8000108.7T333 N334 V348 A349 T351 Q354 F358 P366 M368T333-Y356 HydrophobicContact CG2-CD1 4.08Å; T333-Y356 HydrophobicContact CG2-CD2 3.86Å; T333-Y356 HydrophobicContact CG2-CE1 4.09Å; T333-Y356 HydrophobicContact CG2-CE2 3.89Å; T333-Y356 HydrophobicContact CG2-CG 3.97Å; N334-Y356 PolarHBondContact N-OH 3.22Å; N334-Y356 VanDerWaalsContact N-OH 3.16Å; V348-Y356 CarbonylContact C-O 3.51Å; V348-Y356 WeakPolarHBondContact CA-O 3.17Å; A349-Y356 PolarHBondContact N-O 2.84Å; A349-Y356 PolarHBondContact O-N 3.23Å; T351-Y356 HydrophobicContact CG2-CD2 3.92Å; T351-Y356 HydrophobicContact CG2-CE2 3.65Å; Q354-Y356 HydrophobicContact CB-CD2 4.42Å; Q354-Y356 HydrophobicContact CB-CE2 3.89Å; Q354-Y356 PolarHBondContact OE1-OH 3.25Å; Y356-F358 VanDerWaalsContact CB-CE2 3.47Å; Y356-F358 HydrophobicContact CD1-CE2 4.36Å; Y356-F358 AromaticContact CD1-CZ 3.97Å; Y356-F358 HydrophobicContact CD1-CZ 3.97Å; Y356-F358 HydrophobicContact CG-CE2 4.25Å; Y356-F358 HydrophobicContact CG-CZ 4.31Å; Y356-P366 HydrophobicContact CD1-CB 4.23Å; Y356-P366 HydrophobicContact CD1-CG 4.1Å; Y356-M368 HydrophobicContact CD1-CG 3.58Å; Y356-M368 HydrophobicContact CD1-SD 3.74Å; Y356-M368 HydrophobicContact CE1-CG 3.73Å; Y356-M368 HydrophobicContact CE1-SD 3.25Å; Y356-M368 WeakPolarHBondContact CE1-SD 3.31Å; Y356-M368 HydrophobicContact CG-CG 4.2Å
357I97.2Very high92.9Very high5 Ų540.1 Ų40.13%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-116.5109.2172.3-51.6164.3000107.5V348 P366 V367 F369 F385 Y398V348-I357 HydrophobicContact CG2-CG2 4.44Å; I357-P366 CarbonylContact O-C 3.56Å; I357-P366 VanDerWaalsContact O-CA 3.22Å; I357-P366 WeakPolarHBondContact O-CA 3.41Å; I357-V367 HydrophobicContact CB-CB 4.24Å; I357-V367 HydrophobicContact CD1-CB 4.37Å; I357-V367 HydrophobicContact CD1-CG1 4.43Å; I357-V367 PolarHBondContact N-O 2.88Å; I357-V367 PolarHBondContact O-N 2.93Å; I357-F369 HydrophobicContact CD1-CE1 3.91Å; I357-F369 HydrophobicContact CG1-CE1 4.38Å; I357-F385 HydrophobicContact CD1-CE1 3.65Å; I357-F385 HydrophobicContact CD1-CZ 3.72Å; I357-F385 HydrophobicContact CG1-CE1 4.18Å; I357-F385 HydrophobicContact CG1-CZ 4.03Å; I357-Y398 HydrophobicContact CG2-CD1 4.05Å
358F96.7Very high92.8Very high5 Ų545 Ų452%0.02224%0.236CC..EExtended strand (participates in β ladder)trans-96.5139.9173.3-53.9-96.7000109.9L331 T333 H346 L347 A349 Y356 W363 P366L331-F358 HydrophobicContact CB-CE1 4Å; L331-F358 HydrophobicContact CB-CZ 4.03Å; L331-F358 HydrophobicContact CD1-CB 4.2Å; L331-F358 HydrophobicContact CD1-CD1 3.79Å; L331-F358 HydrophobicContact CD1-CD2 3.89Å; L331-F358 HydrophobicContact CD1-CE1 4.06Å; L331-F358 HydrophobicContact CD1-CE2 4.13Å; L331-F358 HydrophobicContact CD1-CG 3.71Å; L331-F358 HydrophobicContact CD1-CZ 4.23Å; L331-F358 HydrophobicContact CD2-CD1 4.04Å; L331-F358 HydrophobicContact CD2-CE1 4.19Å; L331-F358 HydrophobicContact CG-CD1 4.35Å; L331-F358 HydrophobicContact CG-CE1 4.32Å; T333-F358 HydrophobicContact CG2-CZ 4.47Å; H346-F358 CarbonylContact C-O 3.59Å; H346-F358 VanDerWaalsContact CA-O 3.31Å; H346-F358 WeakPolarHBondContact CA-O 3.34Å; L347-F358 HydrophobicContact CB-CB 4.29Å; L347-F358 HydrophobicContact CD2-CD2 3.58Å; L347-F358 HydrophobicContact CD2-CE2 4.05Å; L347-F358 PolarHBondContact N-O 2.8Å; L347-F358 PolarHBondContact O-N 2.98Å; A349-F358 HydrophobicContact CB-CE2 4.4Å; Y356-F358 VanDerWaalsContact CB-CE2 3.47Å; Y356-F358 HydrophobicContact CD1-CE2 4.36Å; Y356-F358 AromaticContact CD1-CZ 3.97Å; Y356-F358 HydrophobicContact CD1-CZ 3.97Å; Y356-F358 HydrophobicContact CG-CE2 4.25Å; Y356-F358 HydrophobicContact CG-CZ 4.31Å; F358-W363 HydrophobicContact CB-CE3 3.58Å; F358-W363 HydrophobicContact CB-CZ3 3.79Å; F358-W363 WeakPolarHBondContact CD1-O 3.25Å; F358-P366 HydrophobicContact CD1-CB 3.62Å; F358-P366 HydrophobicContact CD1-CG 4.04Å; F358-P366 HydrophobicContact CE1-CB 3.63Å; F358-P366 HydrophobicContact CE1-CG 3.65Å; F358-P366 HydrophobicContact CG-CB 4.08Å; F358-P366 HydrophobicContact CZ-CB 4.12Å; F358-P366 HydrophobicContact CZ-CG 4.24Å
359R95.8Very high92.7Very high110 Ų11046.7 Ų46.742%0.41524%0.243SC..EExtended strand (participates in β ladder)trans-109.7136.6178.4-175.5-179-88.8151.74.8109.1S361 N362 W363 D399R359-S361 WeakPolarHBondContact CD-OG 3.45Å; R359-S361 WeakPolarHBondContact CG-OG 3.49Å; R359-S361 PolarHBondContact O-N 3.14Å; R359-S361 VanDerWaalsContact O-N 3.14Å; R359-N362 CarbonylContact O-C 3.44Å; R359-N362 PolarHBondContact O-N 3.3Å; R359-N362 VanDerWaalsContact O-O 3.12Å; R359-W363 PolarHBondContact O-N 3.27Å; R359-D399 IonicContact NH2-OD1 3.73Å; R359-D399 PolarHBondContact NH2-OD1 2.9Å
360R93.7Very high92.6Very high89 Ų8954.1 Ų54.134%0.33628%0.278SS..THydrogen-bonded Turntrans-55.2-35-179.9-177.5-173.2-178.7171.82.9114.3L308 D345 N362 W363L308-R360 HydrophobicContact CD1-CG 4.11Å; D345-R360 HydrophobicContact CB-CB 4.11Å; D345-R360 WeakPolarHBondContact O-CB 3.41Å; D345-R360 PolarHBondContact O-N 2.89Å; D345-R360 WeakPolarHBondContact OD1-CD 2.89Å; D345-R360 IonicContact OD1-CZ 3.09Å; D345-R360 IonicContact OD1-NE 2.78Å; D345-R360 IonicContact OD1-NH1 3.73Å; D345-R360 PolarHBondContact OD1-NH1 3.29Å; R360-N362 PolarHBondContact O-N 2.7Å; R360-W363 VanDerWaalsContact CA-CZ2 3.48Å; R360-W363 HydrophobicContact CB-CH2 4.1Å; R360-W363 HydrophobicContact CB-CZ2 3.84Å; R360-W363 HydrophobicContact CG-CZ2 3.91Å
361S92.7Very high92.3Very high100 Ų10055.2 Ų55.270%0.69928%0.284SS*.THydrogen-bonded Turntrans-67.8-22.1178.1650000113.2R359R359-S361 WeakPolarHBondContact CD-OG 3.45Å; R359-S361 WeakPolarHBondContact CG-OG 3.49Å; R359-S361 PolarHBondContact O-N 3.14Å; R359-S361 VanDerWaalsContact O-N 3.14Å
362N93.3Very high92.1Very high66 Ų6664 Ų6435%0.35332%0.322SS..EExtended strand (participates in β ladder)trans-159.691.1179.6-173.47.6000111R359 R360 N364 T365R359-N362 CarbonylContact O-C 3.44Å; R359-N362 PolarHBondContact O-N 3.3Å; R359-N362 VanDerWaalsContact O-O 3.12Å; R360-N362 PolarHBondContact O-N 2.7Å; N362-N364 PolarHBondContact O-N 3.11Å; N362-N364 PolarHBondContact OD1-N 2.86Å; N362-T365 PolarHBondContact ND2-OG1 3.02Å
363W92.5Very high92.1Very high24 Ų2464 Ų649%0.09132%0.322CS..EExtended strand (participates in β ladder)trans-66.5-24.2177.7-63118000113.3L308 I320 L331 L342 L347 F358 R359 R360 T365L308-W363 HydrophobicContact CD1-CZ2 4.17Å; I320-W363 HydrophobicContact CD1-CD2 3.9Å; I320-W363 HydrophobicContact CD1-CE3 3.49Å; I320-W363 VanDerWaalsContact CD1-CE3 3.49Å; I320-W363 HydrophobicContact CD1-CH2 3.4Å; I320-W363 HydrophobicContact CD1-CZ2 3.71Å; I320-W363 HydrophobicContact CD1-CZ3 3.27Å; I320-W363 HydrophobicContact CG2-CZ2 4.09Å; L331-W363 HydrophobicContact CD1-CE3 4.12Å; L331-W363 HydrophobicContact CD2-CB 3.76Å; L331-W363 HydrophobicContact CD2-CE3 4.42Å; L331-W363 HydrophobicContact CD2-CG 4.33Å; L342-W363 HydrophobicContact CD1-CH2 4.24Å; L347-W363 HydrophobicContact CB-CZ3 3.9Å; F358-W363 HydrophobicContact CB-CE3 3.58Å; F358-W363 HydrophobicContact CB-CZ3 3.79Å; F358-W363 WeakPolarHBondContact CD1-O 3.25Å; R359-W363 PolarHBondContact O-N 3.27Å; R360-W363 VanDerWaalsContact CA-CZ2 3.48Å; R360-W363 HydrophobicContact CB-CH2 4.1Å; R360-W363 HydrophobicContact CB-CZ2 3.84Å; R360-W363 HydrophobicContact CG-CZ2 3.91Å; W363-T365 PolarHBondContact O-N 2.95Å
364N89.8Confident91.8Very high128 Ų12864 Ų6468%0.68432%0.323SS*.EExtended strand (participates in β ladder)trans-78.9-14.4-169.4-65.3-36.8000114.7N362 P366N362-N364 PolarHBondContact O-N 3.11Å; N362-N364 PolarHBondContact OD1-N 2.86Å; N364-P366 WeakPolarHBondContact O-CD 3.3Å
365T93.5Very high91.3Very high92 Ų9262 Ų6256%0.56431%0.313SS*.EExtended strand (participates in β ladder)trans-125.775.8-177.562.20000110.7N362 W363N362-T365 PolarHBondContact ND2-OG1 3.02Å; W363-T365 PolarHBondContact O-N 2.95Å
366P95.4Very high90.5Very high30 Ų3063.3 Ų63.320%0.19532%0.323CS..EExtended strand (participates in β ladder)trans-66.9145.3177.126.5-32.9000111.5Y356 I357 F358 N364 M368Y356-P366 HydrophobicContact CD1-CB 4.23Å; Y356-P366 HydrophobicContact CD1-CG 4.1Å; I357-P366 CarbonylContact O-C 3.56Å; I357-P366 VanDerWaalsContact O-CA 3.22Å; I357-P366 WeakPolarHBondContact O-CA 3.41Å; F358-P366 HydrophobicContact CD1-CB 3.62Å; F358-P366 HydrophobicContact CD1-CG 4.04Å; F358-P366 HydrophobicContact CE1-CB 3.63Å; F358-P366 HydrophobicContact CE1-CG 3.65Å; F358-P366 HydrophobicContact CG-CB 4.08Å; F358-P366 HydrophobicContact CZ-CB 4.12Å; F358-P366 HydrophobicContact CZ-CG 4.24Å; N364-P366 WeakPolarHBondContact O-CD 3.3Å; P366-M368 HydrophobicContact CB-CG 4.37Å; P366-M368 HydrophobicContact CG-CG 4.29Å; P366-M368 HydrophobicContact CG-SD 4.4Å
367V96.3Very high90Very high54 Ų5464.9 Ų64.933%0.32733%0.33SS..EExtended strand (participates in β ladder)trans-76130.8162.4179.50000107.6I357I357-V367 HydrophobicContact CB-CB 4.24Å; I357-V367 HydrophobicContact CD1-CB 4.37Å; I357-V367 HydrophobicContact CD1-CG1 4.43Å; I357-V367 PolarHBondContact N-O 2.88Å; I357-V367 PolarHBondContact O-N 2.93Å
368M95.1Very high89.8Confident102 Ų10265 Ų6550%0.50233%0.331SS..EExtended strand (participates in β ladder)trans-127.1138.2-177.2-61.2175.6-71.300110.9C355 Y356 P366C355-M368 VanDerWaalsContact O-CA 3.31Å; C355-M368 WeakPolarHBondContact O-CA 3.13Å; Y356-M368 HydrophobicContact CD1-CG 3.58Å; Y356-M368 HydrophobicContact CD1-SD 3.74Å; Y356-M368 HydrophobicContact CE1-CG 3.73Å; Y356-M368 HydrophobicContact CE1-SD 3.25Å; Y356-M368 WeakPolarHBondContact CE1-SD 3.31Å; Y356-M368 HydrophobicContact CG-CG 4.2Å; P366-M368 HydrophobicContact CB-CG 4.37Å; P366-M368 HydrophobicContact CG-CG 4.29Å; P366-M368 HydrophobicContact CG-SD 4.4Å
369F94.8Very high89.7Confident37 Ų3765.4 Ų65.416%0.16233%0.334CS..EExtended strand (participates in β ladder)trans-147.5159.2171.860.8-91.9000111.6Q354 C355 I357 L371 F385 L387 F396Q354-F369 CarbonylContact C-O 3.45Å; Q354-F369 VanDerWaalsContact CA-O 3.3Å; Q354-F369 WeakPolarHBondContact CA-O 3.32Å; C355-F369 HydrophobicContact CB-CD1 4.23Å; C355-F369 HydrophobicContact CB-CD2 4.06Å; C355-F369 HydrophobicContact CB-CE1 3.72Å; C355-F369 HydrophobicContact CB-CE2 3.53Å; C355-F369 HydrophobicContact CB-CG 4.39Å; C355-F369 HydrophobicContact CB-CZ 3.36Å; C355-F369 PolarHBondContact N-O 2.94Å; C355-F369 PolarHBondContact O-N 2.84Å; C355-F369 VanDerWaalsContact O-N 3.15Å; I357-F369 HydrophobicContact CD1-CE1 3.91Å; I357-F369 HydrophobicContact CG1-CE1 4.38Å; F369-L371 HydrophobicContact CE2-CD2 4.24Å; F369-F385 HydrophobicContact CE1-CZ 4.31Å; F369-F385 HydrophobicContact CZ-CZ 4.18Å; F369-L387 HydrophobicContact CE2-CD1 4.4Å; F369-L387 HydrophobicContact CZ-CD1 4.24Å; F369-F396 HydrophobicContact CD2-CE1 4.25Å; F369-F396 HydrophobicContact CD2-CZ 4.28Å; F369-F396 HydrophobicContact CE1-CD1 4.4Å; F369-F396 HydrophobicContact CE2-CD1 4.27Å; F369-F396 HydrophobicContact CE2-CD2 4.47Å; F369-F396 AromaticContact CE2-CE1 3.71Å; F369-F396 HydrophobicContact CE2-CE1 3.71Å; F369-F396 AromaticContact CE2-CE2 3.91Å; F369-F396 HydrophobicContact CE2-CE2 3.91Å; F369-F396 AromaticContact CE2-CZ 3.51Å; F369-F396 HydrophobicContact CE2-CZ 3.51Å; F369-F396 AromaticContact CZ-CD1 3.94Å; F369-F396 HydrophobicContact CZ-CD1 3.94Å; F369-F396 HydrophobicContact CZ-CD2 4.13Å; F369-F396 AromaticContact CZ-CE1 3.87Å; F369-F396 HydrophobicContact CZ-CE1 3.87Å; F369-F396 HydrophobicContact CZ-CE2 4.04Å; F369-F396 HydrophobicContact CZ-CG 4.08Å; F369-F396 AromaticContact CZ-CZ 3.92Å; F369-F396 HydrophobicContact CZ-CZ 3.92Å
370E92.4Very high89.7Confident155 Ų15561 Ų6172%0.72432%0.318SS*.EExtended strand (participates in β ladder)trans-78.2138.3-179.7-67.3-172.6168.600112.7T353T353-E370 CarbonylContact O-C 3.6Å; T353-E370 WeakPolarHBondContact O-CA 3.26Å
371L87.4Confident89.9Confident23 Ų2356.8 Ų56.812%0.1230%0.302CS..  trans-87.4137.7174.1-68.2172.5000110.8A350 T351 T353 Q354 C355 F369 V375 L387A350-L371 HydrophobicContact CB-CD1 4.18Å; T351-L371 VanDerWaalsContact O-CD1 3.23Å; T351-L371 WeakPolarHBondContact O-CD1 3.44Å; T353-L371 PolarHBondContact O-N 3.05Å; Q354-L371 VanDerWaalsContact O-CD1 3.3Å; Q354-L371 WeakPolarHBondContact O-CD1 3.35Å; C355-L371 HydrophobicContact CB-CD2 3.93Å; C355-L371 HydrophobicContact CB-CG 4.22Å; F369-L371 HydrophobicContact CE2-CD2 4.24Å; L371-V375 HydrophobicContact CD1-CG2 3.9Å; L371-V375 HydrophobicContact CD2-CG2 3.93Å; L371-L387 HydrophobicContact CD2-CD1 3.72Å
372K83.2Confident90Very high187 Ų18756.2 Ų56.281%0.81329%0.288SS*.SBendtrans-93.4-9.2177.1-64-176.5-179.2178.30113.5
373F77.2Confident90.1Very high25 Ų2560.8 Ų60.811%0.1130%0.301CS..SBendtrans-153.9156.5-176.160.5-94.3000109.7V375 L387 N389 T392 V394F373-V375 HydrophobicContact CD2-CG2 4.44Å; F373-V375 HydrophobicContact CE2-CG2 4Å; F373-V375 PolarHBondContact O-N 3.06Å; F373-L387 HydrophobicContact CZ-CB 4.24Å; F373-N389 HydrophobicContact CD2-CB 3.58Å; F373-N389 HydrophobicContact CE2-CB 4.03Å; F373-N389 HydrophobicContact CG-CB 4.42Å; F373-T392 HydrophobicContact CE1-CG2 4.44Å; F373-V394 HydrophobicContact CE1-CB 4.17Å; F373-V394 HydrophobicContact CE1-CG2 3.38Å; F373-V394 HydrophobicContact CZ-CB 4.12Å; F373-V394 HydrophobicContact CZ-CG2 3.65Å
374P75.7Confident90.4Very high60 Ų6060 Ų6039%0.3930%0.298SS..  trans-69.8128.3174.828.4-34.4000110.8N389P374-N389 WeakPolarHBondContact O-CB 3.49Å
375V82.2Confident90.8Very high5 Ų553.9 Ų53.93%0.0327%0.266CS..  trans-86.4127.8179.9177.50000109.5A350 L371 F373 H377 I378 L387A350-V375 HydrophobicContact CB-CB 3.76Å; A350-V375 HydrophobicContact CB-CG1 3.94Å; A350-V375 HydrophobicContact CB-CG2 3.97Å; L371-V375 HydrophobicContact CD1-CG2 3.9Å; L371-V375 HydrophobicContact CD2-CG2 3.93Å; F373-V375 HydrophobicContact CD2-CG2 4.44Å; F373-V375 HydrophobicContact CE2-CG2 4Å; F373-V375 PolarHBondContact O-N 3.06Å; V375-H377 WeakPolarHBondContact CG1-O 3.42Å; V375-I378 HydrophobicContact CG1-CD1 4.5Å; V375-I378 HydrophobicContact CG1-CG1 3.89Å; V375-L387 HydrophobicContact CG1-CB 4.44Å; V375-L387 HydrophobicContact CG1-CD2 4.22Å; V375-L387 HydrophobicContact CG2-CB 4.17Å; V375-L387 HydrophobicContact CG2-CD1 4.32Å
376C79.6Confident90.9Very high29 Ų2949.5 Ų49.520%0.19624%0.239CC..  trans-107.4-20.317468.20000113T388 N389 F419C376-T388 PolarHBondContact N-O 2.89Å; C376-T388 PolarHBondContact SG-O 3.04Å; C376-N389 WeakPolarHBondContact SG-CA 3.44Å; C376-F419 VanDerWaalsContact SG-CB 3.55Å
377H85.9Confident90.8Very high37 Ų3748 Ų4817%0.17123%0.229CC..EExtended strand (participates in β ladder)trans-150.4147.7179.1-169.785.8000112.5V375 T379 T388 F419V375-H377 WeakPolarHBondContact CG1-O 3.42Å; H377-T379 PolarHBondContact CD2-OG1 3.34Å; H377-T379 PolarHBondContact NE2-OG1 3.37Å; H377-T379 VanDerWaalsContact NE2-OG1 3.11Å; H377-T388 HydrophobicContact CB-CG2 3.85Å; H377-T388 PolarHBondContact N-O 2.91Å; H377-T388 PolarHBondContact O-N 3.25Å; H377-T388 VanDerWaalsContact O-N 3.13Å; H377-F419 HydrophobicContact CB-CD1 3.48Å; H377-F419 VanDerWaalsContact CB-CD1 3.48Å; H377-F419 HydrophobicContact CB-CE1 3.23Å; H377-F419 HydrophobicContact CB-CZ 4.29Å; H377-F419 AromaticContact CD2-CE1 3.67Å; H377-F419 AromaticContact CG-CE1 3.4Å
378I92.5Very high90.5Very high7 Ų745.5 Ų45.54%0.03621%0.214CC..EExtended strand (participates in β ladder)trans-128.8127.6-179.9-55.5-180000107.8K339 Q341 V348 A350 V375 L380 M386 L387K339-I378 HydrophobicContact CB-CD1 4.07Å; K339-I378 HydrophobicContact CB-CG1 4.4Å; K339-I378 HydrophobicContact CG-CD1 4.23Å; K339-I378 HydrophobicContact CG-CG1 4.18Å; Q341-I378 HydrophobicContact CB-CB 4.18Å; Q341-I378 HydrophobicContact CB-CG2 3.92Å; V348-I378 HydrophobicContact CB-CG2 4.31Å; V348-I378 HydrophobicContact CG1-CD1 4.33Å; V348-I378 HydrophobicContact CG1-CG2 4.24Å; A350-I378 HydrophobicContact CB-CD1 4.05Å; V375-I378 HydrophobicContact CG1-CD1 4.5Å; V375-I378 HydrophobicContact CG1-CG1 3.89Å; I378-L380 HydrophobicContact CG2-CD2 3.74Å; I378-L380 HydrophobicContact CG2-CG 4.48Å; I378-M386 WeakPolarHBondContact CA-O 3.28Å; I378-L387 HydrophobicContact CB-CD2 4.41Å; I378-L387 HydrophobicContact CD1-CD2 4.16Å; I378-L387 HydrophobicContact CG1-CD2 3.75Å; I378-L387 HydrophobicContact CG2-CD2 4.16Å
379T94.7Very high89.7Confident14 Ų1440.8 Ų40.89%0.08619%0.191CC..EExtended strand (participates in β ladder)trans-125131.1173.7-44.30000109H377 F385 M386 L426H377-T379 PolarHBondContact CD2-OG1 3.34Å; H377-T379 PolarHBondContact NE2-OG1 3.37Å; H377-T379 VanDerWaalsContact NE2-OG1 3.11Å; T379-F385 WeakPolarHBondContact O-CA 3.36Å; T379-M386 PolarHBondContact N-O 2.81Å; T379-M386 VanDerWaalsContact N-O 3.11Å; T379-M386 PolarHBondContact O-N 2.9Å; T379-M386 VanDerWaalsContact OG1-CE 3.29Å; T379-M386 WeakPolarHBondContact OG1-CE 3.42Å; T379-L426 HydrophobicContact CG2-CB 3.83Å
380L96.4Very high88.8Confident18 Ų1839.3 Ų39.39%0.09419%0.186CC..EExtended strand (participates in β ladder)trans-110.2136.8-175.2-53.8-175.1000111.2Q341 W344 V348 I378 F385 Y398Q341-L380 HydrophobicContact CB-CD1 4Å; Q341-L380 HydrophobicContact CB-CG 4.1Å; Q341-L380 HydrophobicContact CG-CD1 3.63Å; Q341-L380 HydrophobicContact CG-CG 3.72Å; W344-L380 PolarHBondContact NE1-O 3.06Å; W344-L380 VanDerWaalsContact NE1-O 3.11Å; V348-L380 HydrophobicContact CB-CD2 4.12Å; V348-L380 HydrophobicContact CG2-CD2 3.71Å; I378-L380 HydrophobicContact CG2-CD2 3.74Å; I378-L380 HydrophobicContact CG2-CG 4.48Å; L380-F385 HydrophobicContact CD2-CB 3.49Å; L380-F385 VanDerWaalsContact CD2-CB 3.49Å; L380-F385 HydrophobicContact CD2-CG 4.27Å; L380-Y398 HydrophobicContact CD2-CE1 4.4Å
381A96.7Very high87.9Confident0 Ų035.2 Ų35.20%016%0.164CC..  trans-120.6175.8166.900000110W344 R383 I384 Y398 L426W344-A381 VanDerWaalsContact NE1-C 3.34Å; A381-R383 VanDerWaalsContact C-N 3.29Å; A381-R383 PolarHBondContact O-N 3.25Å; A381-I384 CarbonylContact C-O 3.57Å; A381-I384 WeakPolarHBondContact CA-O 3.28Å; A381-I384 HydrophobicContact CB-CG1 4.02Å; A381-I384 WeakPolarHBondContact CB-O 3.48Å; A381-I384 PolarHBondContact N-O 2.81Å; A381-I384 VanDerWaalsContact O-O 3.13Å; A381-Y398 VanDerWaalsContact O-CE2 3.3Å; A381-Y398 WeakPolarHBondContact O-CE2 3.28Å; A381-Y398 PolarHBondContact O-OH 2.94Å; A381-L426 HydrophobicContact CB-CD2 4.2Å; A381-L426 HydrophobicContact CB-CG 4.2Å
382E95.5Very high87.8Confident87 Ų8734.7 Ų34.741%0.40716%0.161SC..SBendtrans-55.2-39.9-175.9-175.7-157.6145.200113.4W344 N428W344-E382 VanDerWaalsContact CD2-CA 3.5Å; W344-E382 HydrophobicContact CD2-CB 4.17Å; W344-E382 HydrophobicContact CE3-CB 3.78Å; W344-E382 HydrophobicContact CE3-CG 4.09Å; W344-E382 HydrophobicContact CH2-CB 4.2Å; W344-E382 HydrophobicContact CZ3-CB 3.8Å; W344-E382 HydrophobicContact CZ3-CG 4.12Å; E382-N428 PolarHBondContact N-OD1 2.87Å; E382-N428 PolarHBondContact OE2-ND2 3.34Å
383R96.3Very high88.2Confident162 Ų16225.9 Ų25.961%0.61112%0.123SC*.SBendtrans-117.8-18-172.9-59.7-179.9-170.5164.15.7114.4A381 N428A381-R383 VanDerWaalsContact C-N 3.29Å; A381-R383 PolarHBondContact O-N 3.25Å; R383-N428 PolarHBondContact N-OD1 3.35Å
384I97.6Very high89Confident7 Ų725.1 Ų25.14%0.03612%0.12CC..EExtended strand (participates in β ladder)trans-138.8160.3-170.662.1172000109.7A381 I395 F396 L426 P447A381-I384 CarbonylContact C-O 3.57Å; A381-I384 WeakPolarHBondContact CA-O 3.28Å; A381-I384 HydrophobicContact CB-CG1 4.02Å; A381-I384 WeakPolarHBondContact CB-O 3.48Å; A381-I384 PolarHBondContact N-O 2.81Å; A381-I384 VanDerWaalsContact O-O 3.13Å; I384-I395 HydrophobicContact CB-CG2 4.17Å; I384-I395 HydrophobicContact CD1-CG2 3.96Å; I384-F396 CarbonylContact C-O 3.59Å; I384-F396 VanDerWaalsContact CA-O 3.26Å; I384-F396 WeakPolarHBondContact CA-O 3.43Å; I384-F396 WeakPolarHBondContact CB-O 3.49Å; I384-L426 HydrophobicContact CD1-CD1 4.09Å; I384-L426 HydrophobicContact CD1-CD2 4.31Å; I384-L426 HydrophobicContact CD1-CG 4.42Å; I384-L426 HydrophobicContact CG1-CD2 4.17Å; I384-P447 HydrophobicContact CD1-CB 3.58Å; I384-P447 HydrophobicContact CD1-CG 4.12Å
385F98Very high90Very high0 Ų022.2 Ų22.20%010%0.102CC..EExtended strand (participates in β ladder)trans-139.2159170.168.1-84.6000110.6V348 I357 F369 T379 L380 L387 I395 F396 T397 Y398V348-F385 HydrophobicContact CG1-CD2 4.02Å; V348-F385 HydrophobicContact CG1-CE2 3.81Å; V348-F385 HydrophobicContact CG1-CZ 4.35Å; V348-F385 HydrophobicContact CG2-CD1 4.39Å; V348-F385 HydrophobicContact CG2-CD2 4.35Å; V348-F385 HydrophobicContact CG2-CG 4.27Å; I357-F385 HydrophobicContact CD1-CE1 3.65Å; I357-F385 HydrophobicContact CD1-CZ 3.72Å; I357-F385 HydrophobicContact CG1-CE1 4.18Å; I357-F385 HydrophobicContact CG1-CZ 4.03Å; F369-F385 HydrophobicContact CE1-CZ 4.31Å; F369-F385 HydrophobicContact CZ-CZ 4.18Å; T379-F385 WeakPolarHBondContact O-CA 3.36Å; L380-F385 HydrophobicContact CD2-CB 3.49Å; L380-F385 VanDerWaalsContact CD2-CB 3.49Å; L380-F385 HydrophobicContact CD2-CG 4.27Å; F385-L387 HydrophobicContact CD2-CD2 3.96Å; F385-L387 HydrophobicContact CD2-CG 4.05Å; F385-L387 HydrophobicContact CE2-CD1 4.01Å; F385-L387 HydrophobicContact CE2-CD2 3.85Å; F385-L387 HydrophobicContact CE2-CG 3.73Å; F385-I395 WeakPolarHBondContact O-CA 3.43Å; F385-F396 HydrophobicContact CD1-CB 4.1Å; F385-F396 HydrophobicContact CD2-CB 4.48Å; F385-F396 HydrophobicContact CE1-CB 3.48Å; F385-F396 VanDerWaalsContact CE1-CB 3.48Å; F385-F396 HydrophobicContact CE2-CB 3.93Å; F385-F396 HydrophobicContact CE2-CD2 4.19Å; F385-F396 HydrophobicContact CE2-CG 4.37Å; F385-F396 HydrophobicContact CZ-CB 3.38Å; F385-F396 HydrophobicContact CZ-CD2 4.29Å; F385-F396 HydrophobicContact CZ-CG 4.03Å; F385-F396 PolarHBondContact N-O 2.8Å; F385-F396 PolarHBondContact O-N 3Å; F385-T397 WeakPolarHBondContact CE1-O 3.18Å; F385-Y398 HydrophobicContact CB-CE1 4.19Å; F385-Y398 AromaticContact CD1-CD1 3.72Å; F385-Y398 HydrophobicContact CD1-CD1 3.72Å; F385-Y398 AromaticContact CD1-CE1 3.74Å; F385-Y398 HydrophobicContact CD1-CE1 3.74Å; F385-Y398 HydrophobicContact CD1-CG 4.43Å; F385-Y398 HydrophobicContact CE1-CD1 4.16Å; F385-Y398 HydrophobicContact CG-CE1 4.29Å
386M96.5Very high90.8Very high0 Ų023 Ų230%011%0.105CC..EExtended strand (participates in β ladder)trans-116.5135.4179.2178.2-161.876.800110I378 T379 T388 Y393 V394 I395 V424 L426 L431I378-M386 WeakPolarHBondContact CA-O 3.28Å; T379-M386 PolarHBondContact N-O 2.81Å; T379-M386 VanDerWaalsContact N-O 3.11Å; T379-M386 PolarHBondContact O-N 2.9Å; T379-M386 VanDerWaalsContact OG1-CE 3.29Å; T379-M386 WeakPolarHBondContact OG1-CE 3.42Å; M386-T388 HydrophobicContact CE-CG2 3.83Å; M386-Y393 HydrophobicContact CE-CD1 4.48Å; M386-Y393 HydrophobicContact SD-CD1 3.62Å; M386-Y393 HydrophobicContact SD-CE1 4.33Å; M386-V394 WeakPolarHBondContact CA-O 2.83Å; M386-I395 HydrophobicContact CB-CG1 4.47Å; M386-I395 HydrophobicContact CG-CG1 4.46Å; M386-V424 HydrophobicContact CE-CG1 4.25Å; M386-V424 HydrophobicContact CE-CG2 4.01Å; M386-V424 HydrophobicContact SD-CG2 4.19Å; M386-L426 HydrophobicContact CB-CD2 3.84Å; M386-L431 HydrophobicContact SD-CD1 3.71Å; M386-L431 HydrophobicContact SD-CD2 4.33Å
387L93.8Very high91.6Very high0 Ų023.4 Ų23.40%011%0.106CC..EExtended strand (participates in β ladder)trans-110.5134.4165.5-56.4-179.7000108.5V348 C355 F369 L371 F373 V375 I378 F385 V394 F396V348-L387 HydrophobicContact CG1-CD2 4.34Å; C355-L387 HydrophobicContact CB-CD1 4.38Å; F369-L387 HydrophobicContact CE2-CD1 4.4Å; F369-L387 HydrophobicContact CZ-CD1 4.24Å; L371-L387 HydrophobicContact CD2-CD1 3.72Å; F373-L387 HydrophobicContact CZ-CB 4.24Å; V375-L387 HydrophobicContact CG1-CB 4.44Å; V375-L387 HydrophobicContact CG1-CD2 4.22Å; V375-L387 HydrophobicContact CG2-CB 4.17Å; V375-L387 HydrophobicContact CG2-CD1 4.32Å; I378-L387 HydrophobicContact CB-CD2 4.41Å; I378-L387 HydrophobicContact CD1-CD2 4.16Å; I378-L387 HydrophobicContact CG1-CD2 3.75Å; I378-L387 HydrophobicContact CG2-CD2 4.16Å; F385-L387 HydrophobicContact CD2-CD2 3.96Å; F385-L387 HydrophobicContact CD2-CG 4.05Å; F385-L387 HydrophobicContact CE2-CD1 4.01Å; F385-L387 HydrophobicContact CE2-CD2 3.85Å; F385-L387 HydrophobicContact CE2-CG 3.73Å; L387-V394 PolarHBondContact N-O 2.91Å; L387-V394 PolarHBondContact O-N 2.79Å; L387-F396 HydrophobicContact CD1-CD2 4.24Å; L387-F396 HydrophobicContact CD1-CE2 4.07Å; L387-F396 HydrophobicContact CG-CD2 4.46Å
388T88.4Confident92.2Very high0 Ų022.2 Ų22.20%010%0.1CC..EExtended strand (participates in β ladder)trans-141.2152.5176.9-171.30000112.5C376 H377 M386 G390 T392 Y393 F419C376-T388 PolarHBondContact N-O 2.89Å; C376-T388 PolarHBondContact SG-O 3.04Å; H377-T388 HydrophobicContact CB-CG2 3.85Å; H377-T388 PolarHBondContact N-O 2.91Å; H377-T388 PolarHBondContact O-N 3.25Å; H377-T388 VanDerWaalsContact O-N 3.13Å; M386-T388 HydrophobicContact CE-CG2 3.83Å; T388-G390 PolarHBondContact OG1-N 2.84Å; T388-T392 WeakPolarHBondContact CA-O 3.11Å; T388-T392 WeakPolarHBondContact CB-O 3.31Å; T388-T392 PolarHBondContact OG1-O 2.8Å; T388-Y393 HydrophobicContact CG2-CE1 4.44Å; T388-F419 HydrophobicContact CG2-CD1 4.27Å; T388-F419 HydrophobicContact CG2-CD2 4.48Å; T388-F419 HydrophobicContact CG2-CE1 3.73Å; T388-F419 HydrophobicContact CG2-CE2 3.92Å; T388-F419 HydrophobicContact CG2-CZ 3.48Å; T388-F419 VanDerWaalsContact CG2-CZ 3.48Å
389N78.1Confident92.3Very high4 Ų426.2 Ų26.22%0.02112%0.122CC..  trans-107.911.516985.9-17.5000110.2W66 F373 P374 C376 R391 T392W66-N389 HydrophobicContact CE3-CB 4.29Å; W66-N389 WeakPolarHBondContact CH2-O 3.45Å; W66-N389 HydrophobicContact CZ3-CB 3.65Å; W66-N389 WeakPolarHBondContact CZ3-O 3.36Å; F373-N389 HydrophobicContact CD2-CB 3.58Å; F373-N389 HydrophobicContact CE2-CB 4.03Å; F373-N389 HydrophobicContact CG-CB 4.42Å; P374-N389 WeakPolarHBondContact O-CB 3.49Å; C376-N389 WeakPolarHBondContact SG-CA 3.44Å; N389-R391 VanDerWaalsContact C-N 3.31Å; N389-R391 PolarHBondContact O-N 3.34Å; N389-R391 PolarHBondContact OD1-N 3.36Å; N389-T392 PolarHBondContact N-O 3.49Å; N389-T392 PolarHBondContact OD1-N 3.38Å
390G75.7Confident92.2Very high5 Ų526.4 Ų26.45%0.05213%0.127CC..SBendtrans82.6-11.5-175.900000116.7T388 Y393T388-G390 PolarHBondContact OG1-N 2.84Å; G390-Y393 PolarHBondContact O-OH 3.28Å
391R74.8Confident92.2Very high70 Ų7031.9 Ų31.926%0.26415%0.151SC..SBendtrans-115.8-48.1171.8-68.6-177.4179.1163.9-1.5112N389 Y393 Q407 I408 I411N389-R391 VanDerWaalsContact C-N 3.31Å; N389-R391 PolarHBondContact O-N 3.34Å; N389-R391 PolarHBondContact OD1-N 3.36Å; R391-Y393 WeakPolarHBondContact O-CD2 3.44Å; R391-Y393 WeakPolarHBondContact O-CE2 3.24Å; R391-Q407 VanDerWaalsContact O-CA 3.26Å; R391-Q407 WeakPolarHBondContact O-CA 3.29Å; R391-I408 PolarHBondContact O-N 2.89Å; R391-I408 VanDerWaalsContact O-N 3.1Å; R391-I411 HydrophobicContact CG-CD1 4.31Å
392T84.5Confident92.1Very high12 Ų1236.6 Ų36.67%0.07418%0.176CC..EExtended strand (participates in β ladder)trans-94.3130175.4-51.10000108.8F373 T388 N389 V394 Q407F373-T392 HydrophobicContact CE1-CG2 4.44Å; T388-T392 WeakPolarHBondContact CA-O 3.11Å; T388-T392 WeakPolarHBondContact CB-O 3.31Å; T388-T392 PolarHBondContact OG1-O 2.8Å; N389-T392 PolarHBondContact N-O 3.49Å; N389-T392 PolarHBondContact OD1-N 3.38Å; T392-V394 HydrophobicContact CG2-CG2 3.75Å; T392-Q407 HydrophobicContact CG2-CG 4.42Å; T392-Q407 PolarHBondContact OG1-NE2 3.16Å
393Y91.1Very high92.1Very high2 Ų235.7 Ų35.71%0.00817%0.172CC..EExtended strand (participates in β ladder)trans-117.1121.7178.5-64.5-103.6000106.9M386 T388 G390 R391 S405 F406 I408 F419 L431 V433M386-Y393 HydrophobicContact CE-CD1 4.48Å; M386-Y393 HydrophobicContact SD-CD1 3.62Å; M386-Y393 HydrophobicContact SD-CE1 4.33Å; T388-Y393 HydrophobicContact CG2-CE1 4.44Å; G390-Y393 PolarHBondContact O-OH 3.28Å; R391-Y393 WeakPolarHBondContact O-CD2 3.44Å; R391-Y393 WeakPolarHBondContact O-CE2 3.24Å; Y393-S405 WeakPolarHBondContact O-CA 3.21Å; Y393-F406 PolarHBondContact N-O 2.83Å; Y393-F406 PolarHBondContact O-N 3.36Å; Y393-I408 HydrophobicContact CD1-CD1 4.21Å; Y393-I408 HydrophobicContact CD2-CB 4.07Å; Y393-I408 HydrophobicContact CD2-CD1 3.71Å; Y393-I408 HydrophobicContact CD2-CG1 3.75Å; Y393-I408 HydrophobicContact CE1-CD1 4.19Å; Y393-I408 HydrophobicContact CE2-CB 3.73Å; Y393-I408 HydrophobicContact CE2-CD1 3.72Å; Y393-I408 HydrophobicContact CE2-CG1 3.86Å; Y393-I408 HydrophobicContact CG-CD1 3.99Å; Y393-I408 HydrophobicContact CG-CG1 4.42Å; Y393-F419 HydrophobicContact CE1-CE2 4.09Å; Y393-F419 HydrophobicContact CE1-CZ 4.49Å; Y393-F419 WeakPolarHBondContact OH-CE2 3.15Å; Y393-L431 HydrophobicContact CD1-CD2 4.43Å; Y393-V433 HydrophobicContact CE1-CG2 4.1Å
394V94.8Very high92.1Very high8 Ų828.4 Ų28.45%0.04815%0.146CC..EExtended strand (participates in β ladder)trans-127.8127.5-176.6-169.30000109.3F373 M386 L387 T392 F396 L402F373-V394 HydrophobicContact CE1-CB 4.17Å; F373-V394 HydrophobicContact CE1-CG2 3.38Å; F373-V394 HydrophobicContact CZ-CB 4.12Å; F373-V394 HydrophobicContact CZ-CG2 3.65Å; M386-V394 WeakPolarHBondContact CA-O 2.83Å; L387-V394 PolarHBondContact N-O 2.91Å; L387-V394 PolarHBondContact O-N 2.79Å; T392-V394 HydrophobicContact CG2-CG2 3.75Å; V394-F396 HydrophobicContact CB-CE2 3.98Å; V394-F396 HydrophobicContact CG1-CD2 3.96Å; V394-F396 HydrophobicContact CG1-CE2 3.24Å; V394-F396 HydrophobicContact CG1-CZ 3.67Å; V394-L402 HydrophobicContact CG1-CD1 3.21Å
395I97.2Very high91.9Very high0 Ų031.6 Ų31.60%017%0.169CC..EExtended strand (participates in β ladder)trans-113130.2-172.5-56.9-177.5000108.6I384 F385 M386 Q403 S404 F406 P447I384-I395 HydrophobicContact CB-CG2 4.17Å; I384-I395 HydrophobicContact CD1-CG2 3.96Å; F385-I395 WeakPolarHBondContact O-CA 3.43Å; M386-I395 HydrophobicContact CB-CG1 4.47Å; M386-I395 HydrophobicContact CG-CG1 4.46Å; I395-Q403 HydrophobicContact CG2-CB 4.32Å; I395-Q403 PolarHBondContact O-N 2.67Å; I395-S404 PolarHBondContact N-O 3.23Å; I395-S404 PolarHBondContact O-N 3.01Å; I395-F406 HydrophobicContact CD1-CE1 3.91Å; I395-F406 HydrophobicContact CD1-CZ 4.2Å; I395-F406 HydrophobicContact CG1-CE1 4.37Å; I395-P447 HydrophobicContact CD1-CB 3.67Å; I395-P447 HydrophobicContact CG2-CB 4.39Å
396F97.7Very high91.6Very high22 Ų2232.9 Ų32.910%0.09617%0.174CC..EExtended strand (participates in β ladder)trans-127.2153.8-177.7-71.7-89.2000110.8F369 I384 F385 L387 V394 H401 L402F369-F396 HydrophobicContact CD2-CE1 4.25Å; F369-F396 HydrophobicContact CD2-CZ 4.28Å; F369-F396 HydrophobicContact CE1-CD1 4.4Å; F369-F396 HydrophobicContact CE2-CD1 4.27Å; F369-F396 HydrophobicContact CE2-CD2 4.47Å; F369-F396 AromaticContact CE2-CE1 3.71Å; F369-F396 HydrophobicContact CE2-CE1 3.71Å; F369-F396 AromaticContact CE2-CE2 3.91Å; F369-F396 HydrophobicContact CE2-CE2 3.91Å; F369-F396 AromaticContact CE2-CZ 3.51Å; F369-F396 HydrophobicContact CE2-CZ 3.51Å; F369-F396 AromaticContact CZ-CD1 3.94Å; F369-F396 HydrophobicContact CZ-CD1 3.94Å; F369-F396 HydrophobicContact CZ-CD2 4.13Å; F369-F396 AromaticContact CZ-CE1 3.87Å; F369-F396 HydrophobicContact CZ-CE1 3.87Å; F369-F396 HydrophobicContact CZ-CE2 4.04Å; F369-F396 HydrophobicContact CZ-CG 4.08Å; F369-F396 AromaticContact CZ-CZ 3.92Å; F369-F396 HydrophobicContact CZ-CZ 3.92Å; I384-F396 CarbonylContact C-O 3.59Å; I384-F396 VanDerWaalsContact CA-O 3.26Å; I384-F396 WeakPolarHBondContact CA-O 3.43Å; I384-F396 WeakPolarHBondContact CB-O 3.49Å; F385-F396 HydrophobicContact CD1-CB 4.1Å; F385-F396 HydrophobicContact CD2-CB 4.48Å; F385-F396 HydrophobicContact CE1-CB 3.48Å; F385-F396 VanDerWaalsContact CE1-CB 3.48Å; F385-F396 HydrophobicContact CE2-CB 3.93Å; F385-F396 HydrophobicContact CE2-CD2 4.19Å; F385-F396 HydrophobicContact CE2-CG 4.37Å; F385-F396 HydrophobicContact CZ-CB 3.38Å; F385-F396 HydrophobicContact CZ-CD2 4.29Å; F385-F396 HydrophobicContact CZ-CG 4.03Å; F385-F396 PolarHBondContact N-O 2.8Å; F385-F396 PolarHBondContact O-N 3Å; L387-F396 HydrophobicContact CD1-CD2 4.24Å; L387-F396 HydrophobicContact CD1-CE2 4.07Å; L387-F396 HydrophobicContact CG-CD2 4.46Å; V394-F396 HydrophobicContact CB-CE2 3.98Å; V394-F396 HydrophobicContact CG1-CD2 3.96Å; V394-F396 HydrophobicContact CG1-CE2 3.24Å; V394-F396 HydrophobicContact CG1-CZ 3.67Å; F396-H401 CarbonylContact C-O 3.55Å; F396-H401 VanDerWaalsContact CA-O 3.28Å; F396-H401 WeakPolarHBondContact CA-O 3.44Å; F396-L402 HydrophobicContact CD1-CB 4.18Å; F396-L402 HydrophobicContact CD1-CD1 4.45Å; F396-L402 HydrophobicContact CE1-CB 3.82Å; F396-L402 HydrophobicContact CE1-CD1 4Å; F396-L402 HydrophobicContact CE2-CD1 4.36Å; F396-L402 HydrophobicContact CZ-CD1 3.94Å
397T97.7Very high91.1Very high36 Ų3638.6 Ų38.622%0.22120%0.201CC..EExtended strand (participates in β ladder)trans-84.1159.2161.4720000110.1F385 D399 G400 H401F385-T397 WeakPolarHBondContact CE1-O 3.18Å; T397-D399 PolarHBondContact O-N 3.2Å; T397-D399 VanDerWaalsContact O-N 3.09Å; T397-G400 PolarHBondContact O-N 3.31Å; T397-H401 PolarHBondContact N-O 3.02Å; T397-H401 PolarHBondContact OG1-N 3.06Å
398Y97.3Very high90.3Very high12 Ų1238.9 Ų38.95%0.04720%0.203CC..THydrogen-bonded Turntrans-66.5-9178.5-68.7-66.4000115.1H346 V348 I357 L380 A381 F385 G400H346-Y398 HydrophobicContact CB-CD1 3.75Å; H346-Y398 HydrophobicContact CB-CE1 3.58Å; H346-Y398 AromaticContact CD2-CD1 3.46Å; H346-Y398 VanDerWaalsContact CD2-CD1 3.46Å; H346-Y398 WeakPolarHBondContact CD2-CD1 3.34Å; H346-Y398 AromaticContact CD2-CD2 3.38Å; H346-Y398 WeakPolarHBondContact CD2-CD2 3.39Å; H346-Y398 AromaticContact CD2-CE1 3.65Å; H346-Y398 AromaticContact CD2-CE2 3.57Å; H346-Y398 AromaticContact CD2-CG 3.31Å; H346-Y398 AromaticContact CD2-CZ 3.7Å; H346-Y398 AromaticContact CE1-CG 3.78Å; H346-Y398 AromaticContact CG-CD1 3.42Å; H346-Y398 VanDerWaalsContact CG-CD1 3.42Å; H346-Y398 AromaticContact CG-CE1 3.67Å; H346-Y398 AromaticContact CG-CG 3.72Å; H346-Y398 AromaticContact ND1-CD1 3.89Å; H346-Y398 AromaticContact ND1-CG 4Å; H346-Y398 AromaticContact NE2-CD1 3.96Å; H346-Y398 AromaticContact NE2-CD2 3.5Å; H346-Y398 AromaticContact NE2-CG 3.39Å; V348-Y398 HydrophobicContact CG2-CD1 4.39Å; V348-Y398 HydrophobicContact CG2-CE1 4.02Å; I357-Y398 HydrophobicContact CG2-CD1 4.05Å; L380-Y398 HydrophobicContact CD2-CE1 4.4Å; A381-Y398 VanDerWaalsContact O-CE2 3.3Å; A381-Y398 WeakPolarHBondContact O-CE2 3.28Å; A381-Y398 PolarHBondContact O-OH 2.94Å; F385-Y398 HydrophobicContact CB-CE1 4.19Å; F385-Y398 AromaticContact CD1-CD1 3.72Å; F385-Y398 HydrophobicContact CD1-CD1 3.72Å; F385-Y398 AromaticContact CD1-CE1 3.74Å; F385-Y398 HydrophobicContact CD1-CE1 3.74Å; F385-Y398 HydrophobicContact CD1-CG 4.43Å; F385-Y398 HydrophobicContact CE1-CD1 4.16Å; F385-Y398 HydrophobicContact CG-CE1 4.29Å; Y398-G400 VanDerWaalsContact C-N 3.26Å
399D94.9Very high89.1Confident91 Ų9141 Ų4149%0.48722%0.224SC..THydrogen-bonded Turntrans-88.76.5171.5-54.7-48.3000112.2R359 T397R359-D399 IonicContact NH2-OD1 3.73Å; R359-D399 PolarHBondContact NH2-OD1 2.9Å; T397-D399 PolarHBondContact O-N 3.2Å; T397-D399 VanDerWaalsContact O-N 3.09Å
400G93.5Very high87.8Confident19 Ų1943.8 Ų43.820%0.19625%0.254CS..SBendtrans85.510176.600000114.8T397 Y398T397-G400 PolarHBondContact O-N 3.31Å; Y398-G400 VanDerWaalsContact C-N 3.26Å
401H95.6Very high86.6Confident132 Ų13245.7 Ų45.761%0.61126%0.263SS*.  trans-83.7129.4178-66.5-58.6000111.6F396 T397 Q403F396-H401 CarbonylContact C-O 3.55Å; F396-H401 VanDerWaalsContact CA-O 3.28Å; F396-H401 WeakPolarHBondContact CA-O 3.44Å; T397-H401 PolarHBondContact N-O 3.02Å; T397-H401 PolarHBondContact OG1-N 3.06Å; H401-Q403 PolarHBondContact O-N 2.8Å
402L95.8Very high85.4Confident100 Ų10047.7 Ų47.752%0.52428%0.279SS..EExtended strand (participates in β ladder)trans-69.2124.1172.4175.965.8000110V394 F396 S404V394-L402 HydrophobicContact CG1-CD1 3.21Å; F396-L402 HydrophobicContact CD1-CB 4.18Å; F396-L402 HydrophobicContact CD1-CD1 4.45Å; F396-L402 HydrophobicContact CE1-CB 3.82Å; F396-L402 HydrophobicContact CE1-CD1 4Å; F396-L402 HydrophobicContact CE2-CD1 4.36Å; F396-L402 HydrophobicContact CZ-CD1 3.94Å; L402-S404 WeakPolarHBondContact CD1-O 3.26Å
403Q94.7Very high83.4Confident68 Ų6850.6 Ų50.632%0.31830%0.298SS..EExtended strand (participates in β ladder)trans-97.5-52.9177.6-172.416811.700111.6I395 H401I395-Q403 HydrophobicContact CG2-CB 4.32Å; I395-Q403 PolarHBondContact O-N 2.67Å; H401-Q403 PolarHBondContact O-N 2.8Å
404S96Very high80.9Confident9 Ų951.6 Ų51.66%0.06331%0.305CS..EExtended strand (participates in β ladder)trans-148.8154.7177.366.20000111.3I395 L402 P447I395-S404 PolarHBondContact N-O 3.23Å; I395-S404 PolarHBondContact O-N 3.01Å; L402-S404 WeakPolarHBondContact CD1-O 3.26Å; S404-P447 WeakPolarHBondContact CB-O 3.4Å; S404-P447 PolarHBondContact OG-O 3.24Å
405S93.4Very high78.6Confident74 Ų7451.7 Ų51.752%0.51731%0.307SS..EExtended strand (participates in β ladder)trans-145.7123.4176.6178.80000108.5Y393Y393-S405 WeakPolarHBondContact O-CA 3.21Å
406F91.4Very high76.2Confident26 Ų2653 Ų5311%0.11431%0.314CS..EExtended strand (participates in β ladder)trans-152.6165.1-175.454-80.2000110.7Y393 I395 I408 L431 F445 G450Y393-F406 PolarHBondContact N-O 2.83Å; Y393-F406 PolarHBondContact O-N 3.36Å; I395-F406 HydrophobicContact CD1-CE1 3.91Å; I395-F406 HydrophobicContact CD1-CZ 4.2Å; I395-F406 HydrophobicContact CG1-CE1 4.37Å; F406-I408 HydrophobicContact CD2-CD1 4.41Å; F406-I408 HydrophobicContact CD2-CG1 3.94Å; F406-I408 HydrophobicContact CE2-CD1 3.88Å; F406-I408 HydrophobicContact CE2-CG1 3.92Å; F406-L431 HydrophobicContact CE2-CD2 4.01Å; F406-L431 HydrophobicContact CZ-CD2 3.55Å; F406-F445 HydrophobicContact CD2-CD1 4.24Å; F406-F445 HydrophobicContact CE2-CB 4.17Å; F406-F445 AromaticContact CE2-CD1 3.86Å; F406-F445 HydrophobicContact CE2-CD1 3.86Å; F406-F445 HydrophobicContact CE2-CE1 4.45Å; F406-F445 AromaticContact CE2-CG 3.95Å; F406-F445 HydrophobicContact CE2-CG 3.95Å; F406-F445 HydrophobicContact CZ-CB 4.25Å; F406-G450 VanDerWaalsContact CE1-CA 3.45Å
407Q85.8Confident74.1Confident121 Ų12155.9 Ų55.957%0.56533%0.325SS*.EExtended strand (participates in β ladder)trans-115136.1176.4-68.7-177.7-18.100109.4R391 T392R391-Q407 VanDerWaalsContact O-CA 3.26Å; R391-Q407 WeakPolarHBondContact O-CA 3.29Å; T392-Q407 HydrophobicContact CG2-CG 4.42Å; T392-Q407 PolarHBondContact OG1-NE2 3.16Å
408I77.8Confident72.4Confident6 Ų656.2 Ų56.23%0.03132%0.323CS..  trans-107.1124176.2-60.1174.5000108.4R391 Y393 F406 V433 F445R391-I408 PolarHBondContact O-N 2.89Å; R391-I408 VanDerWaalsContact O-N 3.1Å; Y393-I408 HydrophobicContact CD1-CD1 4.21Å; Y393-I408 HydrophobicContact CD2-CB 4.07Å; Y393-I408 HydrophobicContact CD2-CD1 3.71Å; Y393-I408 HydrophobicContact CD2-CG1 3.75Å; Y393-I408 HydrophobicContact CE1-CD1 4.19Å; Y393-I408 HydrophobicContact CE2-CB 3.73Å; Y393-I408 HydrophobicContact CE2-CD1 3.72Å; Y393-I408 HydrophobicContact CE2-CG1 3.86Å; Y393-I408 HydrophobicContact CG-CD1 3.99Å; Y393-I408 HydrophobicContact CG-CG1 4.42Å; F406-I408 HydrophobicContact CD2-CD1 4.41Å; F406-I408 HydrophobicContact CD2-CG1 3.94Å; F406-I408 HydrophobicContact CE2-CD1 3.88Å; F406-I408 HydrophobicContact CE2-CG1 3.92Å; I408-V433 HydrophobicContact CD1-CB 3.94Å; I408-V433 HydrophobicContact CD1-CG1 3.98Å; I408-V433 HydrophobicContact CD1-CG2 3.64Å; I408-V433 HydrophobicContact CG2-CG1 4.42Å; I408-F445 HydrophobicContact CB-CZ 4.44Å; I408-F445 HydrophobicContact CD1-CD2 3.86Å; I408-F445 HydrophobicContact CD1-CE1 4.38Å; I408-F445 HydrophobicContact CD1-CE2 3.46Å; I408-F445 VanDerWaalsContact CD1-CE2 3.46Å; I408-F445 HydrophobicContact CD1-CG 4.49Å; I408-F445 HydrophobicContact CD1-CZ 3.78Å; I408-F445 HydrophobicContact CG1-CE1 4.07Å; I408-F445 HydrophobicContact CG1-CE2 3.93Å; I408-F445 HydrophobicContact CG1-CZ 3.66Å; I408-F445 HydrophobicContact CG2-CE2 4.31Å; I408-F445 HydrophobicContact CG2-CZ 4.03Å
409G63.1Low71.1Confident43 Ų4356.7 Ų56.744%0.44333%0.325SS..  trans93.4140.7176.100000114.3
410G51.7Low70.2Confident64 Ų6452.8 Ų52.866%0.6631%0.305SS*.  trans-107.275.8170.400000108.6D412 E437G410-D412 PolarHBondContact O-N 3.42Å; G410-E437 PolarHBondContact N-OE1 3.38Å
411I49.9Very low69.6Low44 Ų4452.5 Ų52.523%0.22630%0.301CS..  trans-66.6128.6-169.8-65.3169.5000110.7R391 P413 L436R391-I411 HydrophobicContact CG-CD1 4.31Å; I411-P413 VanDerWaalsContact O-CD 3.25Å; I411-P413 WeakPolarHBondContact O-CD 2.92Å; I411-P413 VanDerWaalsContact O-N 3.07Å; I411-L436 HydrophobicContact CD1-CD1 3.99Å
412D48.8Very low69.1Low113 Ų11347.8 Ų47.860%0.60428%0.281SS*.  trans-51.6106.2150.3-178.4-17.8000106.5G410 S414G410-D412 PolarHBondContact O-N 3.42Å; D412-S414 VanDerWaalsContact CG-OG 3.25Å; D412-S414 PolarHBondContact O-N 2.82Å; D412-S414 PolarHBondContact OD1-OG 3.14Å
413P42.8Very low68.8Low73 Ų7343.4 Ų43.447%0.47426%0.259SS..THydrogen-bonded Turntrans-59.3-13.5-158.520.7-30.4000113A116 D117 I411 A415A116-P413 CarbonylContact C-O 3.35Å; D117-P413 VanDerWaalsContact CA-C 3.44Å; D117-P413 WeakPolarHBondContact CA-O 3.33Å; D117-P413 HydrophobicContact CB-CB 3.39Å; D117-P413 HydrophobicContact CB-CG 3.61Å; D117-P413 WeakPolarHBondContact CB-O 3.45Å; D117-P413 PolarHBondContact N-O 3.43Å; I411-P413 VanDerWaalsContact O-CD 3.25Å; I411-P413 WeakPolarHBondContact O-CD 2.92Å; I411-P413 VanDerWaalsContact O-N 3.07Å; P413-A415 PolarHBondContact O-N 2.76Å
414S38.2Very low68.7Low22 Ų2240.4 Ų40.415%0.15425%0.245CC..THydrogen-bonded Turntrans-69.1-16.9-171.659.50000116.7A116 D117 D412A116-S414 WeakPolarHBondContact CB-O 3.26Å; A116-S414 PolarHBondContact N-O 3.08Å; D117-S414 VanDerWaalsContact CG-CA 3.45Å; D117-S414 WeakPolarHBondContact OD2-CB 3.36Å; D412-S414 VanDerWaalsContact CG-OG 3.25Å; D412-S414 PolarHBondContact O-N 2.82Å; D412-S414 PolarHBondContact OD1-OG 3.14Å
415A46.6Very low68.7Low11 Ų1140.9 Ų40.99%0.09125%0.247CC..  trans-89.2120.9-176.600000114.1A116 P157 P413 R417A116-A415 VanDerWaalsContact CB-O 3.22Å; A116-A415 WeakPolarHBondContact CB-O 3.3Å; P157-A415 CarbonylContact O-C 3.59Å; P157-A415 WeakPolarHBondContact O-CB 3.37Å; P413-A415 PolarHBondContact O-N 2.76Å; A415-R417 VanDerWaalsContact C-N 3.33Å; A415-R417 HydrophobicContact CB-CG 4.12Å; A415-R417 PolarHBondContact O-N 2.78Å
416V47.9Very low68.9Low26 Ų2637.4 Ų37.416%0.15822%0.223CC..  trans-81.683.4176-173.90000107A116 P157 S198 F418A116-V416 HydrophobicContact CB-CB 3.97Å; A116-V416 HydrophobicContact CB-CG2 3.31Å; P157-V416 CarbonylContact O-C 3.58Å; P157-V416 PolarHBondContact O-N 3.35Å; P157-V416 VanDerWaalsContact O-N 3.13Å; S198-V416 VanDerWaalsContact CB-O 3.31Å; S198-V416 WeakPolarHBondContact CB-O 3.47Å; V416-F418 HydrophobicContact CG1-CD2 4.17Å; V416-F418 HydrophobicContact CG1-CE2 3.77Å; V416-F418 HydrophobicContact CG1-CZ 4.37Å
417R53.6Low69.1Low84 Ų8436.1 Ų36.132%0.31722%0.217SC..  trans-107.4107.7176.3-62-169.7-175.3-152.4-0.3109.5P157 D158 A415 L436P157-R417 VanDerWaalsContact O-CG 3.3Å; P157-R417 WeakPolarHBondContact O-CG 3.4Å; D158-R417 VanDerWaalsContact CB-NH2 3.3Å; A415-R417 VanDerWaalsContact C-N 3.33Å; A415-R417 HydrophobicContact CB-CG 4.12Å; A415-R417 PolarHBondContact O-N 2.78Å; R417-L436 PolarHBondContact NH1-O 2.88Å
418F62.7Low69.6Low42 Ų4231.9 Ų31.918%0.18420%0.198CC..  trans-78.3156.3167-63.8-83.7000109.8R20 S198 P239 V416 D420R20-F418 VanDerWaalsContact NH2-CZ 3.29Å; S198-F418 VanDerWaalsContact OG-CB 3.25Å; S198-F418 WeakPolarHBondContact OG-CB 3.5Å; S198-F418 WeakPolarHBondContact OG-CD2 3.36Å; S198-F418 PolarHBondContact OG-N 3.46Å; S198-F418 VanDerWaalsContact OG-N 3.16Å; P239-F418 HydrophobicContact CB-CB 4.47Å; P239-F418 HydrophobicContact CB-CD1 3.53Å; P239-F418 HydrophobicContact CB-CE1 3.7Å; P239-F418 HydrophobicContact CB-CG 4.02Å; P239-F418 HydrophobicContact CB-CZ 4.35Å; P239-F418 HydrophobicContact CG-CD1 4.43Å; P239-F418 HydrophobicContact CG-CE1 4.12Å; P239-F418 WeakPolarHBondContact O-CB 3.5Å; P239-F418 WeakPolarHBondContact O-CG 3.13Å; V416-F418 HydrophobicContact CG1-CD2 4.17Å; V416-F418 HydrophobicContact CG1-CE2 3.77Å; V416-F418 HydrophobicContact CG1-CZ 4.37Å; F418-D420 PolarHBondContact O-N 2.83Å
419F69.6Low70.4Confident22 Ų2233 Ų3310%0.09620%0.204CC..  trans-72.7128.1-172-176.8-104.1000111.7C376 H377 T388 Y393 V424C376-F419 VanDerWaalsContact SG-CB 3.55Å; H377-F419 HydrophobicContact CB-CD1 3.48Å; H377-F419 VanDerWaalsContact CB-CD1 3.48Å; H377-F419 HydrophobicContact CB-CE1 3.23Å; H377-F419 HydrophobicContact CB-CZ 4.29Å; H377-F419 AromaticContact CD2-CE1 3.67Å; H377-F419 AromaticContact CG-CE1 3.4Å; T388-F419 HydrophobicContact CG2-CD1 4.27Å; T388-F419 HydrophobicContact CG2-CD2 4.48Å; T388-F419 HydrophobicContact CG2-CE1 3.73Å; T388-F419 HydrophobicContact CG2-CE2 3.92Å; T388-F419 HydrophobicContact CG2-CZ 3.48Å; T388-F419 VanDerWaalsContact CG2-CZ 3.48Å; Y393-F419 HydrophobicContact CE1-CE2 4.09Å; Y393-F419 HydrophobicContact CE1-CZ 4.49Å; Y393-F419 WeakPolarHBondContact OH-CE2 3.15Å; F419-V424 HydrophobicContact CE1-CG1 4.05Å; F419-V424 HydrophobicContact CE2-CG1 4.48Å; F419-V424 HydrophobicContact CZ-CB 4.21Å; F419-V424 HydrophobicContact CZ-CG1 3.48Å; F419-V424 VanDerWaalsContact CZ-CG1 3.48Å
420D75Confident72Confident10 Ų1030.9 Ų30.95%0.05318%0.183CC..  trans-96107.6176.5-179.21.7000109.2V199 F418 D422 A423 R434V199-D420 HydrophobicContact CG1-CB 3.82Å; F418-D420 PolarHBondContact O-N 2.83Å; D420-D422 PolarHBondContact O-N 2.88Å; D420-D422 PolarHBondContact OD1-N 3.38Å; D420-D422 VanDerWaalsContact OD1-N 3.1Å; D420-A423 HydrophobicContact CB-CB 3.79Å; D420-A423 VanDerWaalsContact O-CB 3.3Å; D420-A423 WeakPolarHBondContact O-CB 3.38Å; D420-A423 PolarHBondContact O-N 3.37Å; D420-A423 VanDerWaalsContact O-N 3.09Å; D420-R434 IonicContact OD2-CZ 2.95Å; D420-R434 IonicContact OD2-NH2 2.95Å; D420-R434 PolarHBondContact OD2-NH2 2.81Å
421G80.8Confident74.1Confident12 Ų1227.9 Ų27.912%0.12415%0.152CC..G310 helixtrans-64.3-23.3179.900000114A423G421-A423 VanDerWaalsContact C-N 3.27Å
422D86.6Confident76.3Confident33 Ų3325.8 Ų25.818%0.17614%0.141CC..G310 helixtrans-78.3-15.3175.7-78.4-34.4000112.5D420 V424 Q466 V467 R559D420-D422 PolarHBondContact O-N 2.88Å; D420-D422 PolarHBondContact OD1-N 3.38Å; D420-D422 VanDerWaalsContact OD1-N 3.1Å; D422-V424 VanDerWaalsContact C-N 3.28Å; D422-V424 PolarHBondContact O-N 3.45Å; D422-Q466 HydrophobicContact CB-CB 4.12Å; D422-Q466 HydrophobicContact CB-CG 3.94Å; D422-Q466 CarbonylContact O-C 3.55Å; D422-Q466 VanDerWaalsContact O-CA 3.26Å; D422-Q466 WeakPolarHBondContact O-CA 3.22Å; D422-Q466 PolarHBondContact OD1-NE2 2.79Å; D422-Q466 VanDerWaalsContact OD1-NE2 3.17Å; D422-V467 PolarHBondContact O-N 3.13Å; D422-R559 IonicContact OD1-CZ 3.97Å; D422-R559 VanDerWaalsContact OD1-CZ 3.31Å; D422-R559 IonicContact OD1-NE 3.9Å; D422-R559 PolarHBondContact OD1-NE 2.95Å; D422-R559 VanDerWaalsContact OD1-NE 3.15Å; D422-R559 IonicContact OD1-NH2 3.04Å; D422-R559 PolarHBondContact OD1-NH2 2.77Å; D422-R559 IonicContact OD2-CZ 3.85Å; D422-R559 IonicContact OD2-NE 2.84Å; D422-R559 PolarHBondContact OD2-NE 2.92Å; D422-R559 IonicContact OD2-NH2 3.02Å; D422-R559 PolarHBondContact OD2-NH2 3.01Å
423A88.5Confident78.4Confident8 Ų820.5 Ų20.57%0.06611%0.113CC..G310 helixtrans-84.3-0.3-17600000113.8D420 G421 R434D420-A423 HydrophobicContact CB-CB 3.79Å; D420-A423 VanDerWaalsContact O-CB 3.3Å; D420-A423 WeakPolarHBondContact O-CB 3.38Å; D420-A423 PolarHBondContact O-N 3.37Å; D420-A423 VanDerWaalsContact O-N 3.09Å; G421-A423 VanDerWaalsContact C-N 3.27Å; A423-R434 HydrophobicContact CB-CB 4.05Å; A423-R434 PolarHBondContact O-N 2.8Å
424V93.1Very high80.7Confident6 Ų617.6 Ų17.64%0.0369%0.092CC..EExtended strand (participates in β ladder)trans-132.9145.5-179.764.20000110.5M386 F419 D422 L431 C432 V433M386-V424 HydrophobicContact CE-CG1 4.25Å; M386-V424 HydrophobicContact CE-CG2 4.01Å; M386-V424 HydrophobicContact SD-CG2 4.19Å; F419-V424 HydrophobicContact CE1-CG1 4.05Å; F419-V424 HydrophobicContact CE2-CG1 4.48Å; F419-V424 HydrophobicContact CZ-CB 4.21Å; F419-V424 HydrophobicContact CZ-CG1 3.48Å; F419-V424 VanDerWaalsContact CZ-CG1 3.48Å; D422-V424 VanDerWaalsContact C-N 3.28Å; D422-V424 PolarHBondContact O-N 3.45Å; V424-L431 HydrophobicContact CG2-CD1 3.59Å; V424-C432 WeakPolarHBondContact CA-O 3.23Å; V424-V433 HydrophobicContact CB-CG2 4.34Å; V424-V433 HydrophobicContact CG2-CG2 3.69Å
425D96.2Very high82.9Confident19 Ų1916.8 Ų16.810%0.1029%0.086CC..EExtended strand (participates in β ladder)trans-148.2149.2162.4-16212.9000110.8C432 S468 V469D425-C432 PolarHBondContact N-O 2.82Å; D425-C432 PolarHBondContact O-N 2.95Å; D425-S468 WeakPolarHBondContact OD2-CA 3.33Å; D425-S468 PolarHBondContact OD2-OG 2.77Å; D425-V469 HydrophobicContact CB-CB 4.35Å; D425-V469 HydrophobicContact CB-CG2 4.05Å; D425-V469 PolarHBondContact OD2-N 2.83Å
426L96.8Very high84.3Confident0 Ų017.4 Ų17.40%09%0.088CC..EExtended strand (participates in β ladder)trans-120.1137.2-172.9179.370.6000110.6T379 A381 I384 M386 L431 P447 Q471T379-L426 HydrophobicContact CG2-CB 3.83Å; A381-L426 HydrophobicContact CB-CD2 4.2Å; A381-L426 HydrophobicContact CB-CG 4.2Å; I384-L426 HydrophobicContact CD1-CD1 4.09Å; I384-L426 HydrophobicContact CD1-CD2 4.31Å; I384-L426 HydrophobicContact CD1-CG 4.42Å; I384-L426 HydrophobicContact CG1-CD2 4.17Å; M386-L426 HydrophobicContact CB-CD2 3.84Å; L426-L431 HydrophobicContact CB-CD1 4.18Å; L426-L431 HydrophobicContact CD1-CB 3.99Å; L426-L431 HydrophobicContact CD1-CD1 3.95Å; L426-P447 HydrophobicContact CD1-CB 4.42Å; L426-P447 HydrophobicContact CD1-CG 3.99Å; L426-Q471 PolarHBondContact O-NE2 3.01Å; L426-Q471 PolarHBondContact O-OE1 3.26Å
427C96.5Very high85.5Confident0 Ų021.6 Ų21.60%011%0.106CC..EExtended strand (participates in β ladder)trans-127.3165.6163.4177.30000108.7D429 S430 V469 E470 R478C427-D429 PolarHBondContact O-N 3.01Å; C427-S430 PolarHBondContact N-O 2.91Å; C427-S430 PolarHBondContact O-N 2.95Å; C427-V469 HydrophobicContact CB-CG1 3.71Å; C427-E470 PolarHBondContact SG-O 3.46Å; C427-R478 PolarHBondContact SG-NH1 2.93Å
428N95.4Very high86.9Confident32 Ų3220.7 Ų20.717%0.17111%0.107CC..THydrogen-bonded Turntrans-49.6-30.2-179.3-68.9-30.8000114.6E382 R383E382-N428 PolarHBondContact N-OD1 2.87Å; E382-N428 PolarHBondContact OE2-ND2 3.34Å; R383-N428 PolarHBondContact N-OD1 3.35Å
429D94.9Very high87.9Confident28 Ų2821.4 Ų21.415%0.1511%0.109CC..THydrogen-bonded Turntrans-124.1-0.7-174.262.226.5000114.8C427 P447 K475 R478 Y495C427-D429 PolarHBondContact O-N 3.01Å; D429-P447 VanDerWaalsContact O-CD 3.32Å; D429-P447 WeakPolarHBondContact O-CD 3.45Å; D429-K475 HydrophobicContact CB-CB 4.33Å; D429-K475 HydrophobicContact CB-CD 4.28Å; D429-K475 HydrophobicContact CB-CG 4.25Å; D429-K475 WeakPolarHBondContact OD2-CA 3.43Å; D429-K475 VanDerWaalsContact OD2-CB 3.31Å; D429-K475 WeakPolarHBondContact OD2-CB 3.41Å; D429-K475 PolarHBondContact OD2-N 3.14Å; D429-K475 VanDerWaalsContact OD2-N 3.17Å; D429-R478 IonicContact OD1-CZ 2.7Å; D429-R478 IonicContact OD1-NE 2.74Å; D429-R478 PolarHBondContact OD1-NE 2.85Å; D429-R478 IonicContact OD1-NH2 3.59Å; D429-R478 PolarHBondContact OD1-NH2 2.86Å; D429-R478 IonicContact OD2-CZ 3.23Å; D429-R478 IonicContact OD2-NE 3.36Å; D429-R478 IonicContact OD2-NH2 2.7Å; D429-R478 PolarHBondContact OD2-NH2 2.92Å; D429-Y495 PolarHBondContact O-OH 3.19Å
430S95.7Very high88.9Confident0 Ų024.1 Ų24.10%012%0.121CC..EExtended strand (participates in β ladder)trans-150.5127.3-173.9-54.50000110.7C427 Y495C427-S430 PolarHBondContact N-O 2.91Å; C427-S430 PolarHBondContact O-N 2.95Å; S430-Y495 WeakPolarHBondContact OG-CE2 3.32Å; S430-Y495 PolarHBondContact OG-OH 2.78Å
431L96.4Very high89.7Confident0 Ų027.7 Ų27.70%013%0.133CC..EExtended strand (participates in β ladder)trans-111.7118.5169.1172.271.5000108.2M386 Y393 F406 V424 L426 V433 C444 F445 P447M386-L431 HydrophobicContact SD-CD1 3.71Å; M386-L431 HydrophobicContact SD-CD2 4.33Å; Y393-L431 HydrophobicContact CD1-CD2 4.43Å; F406-L431 HydrophobicContact CE2-CD2 4.01Å; F406-L431 HydrophobicContact CZ-CD2 3.55Å; V424-L431 HydrophobicContact CG2-CD1 3.59Å; L426-L431 HydrophobicContact CB-CD1 4.18Å; L426-L431 HydrophobicContact CD1-CB 3.99Å; L426-L431 HydrophobicContact CD1-CD1 3.95Å; L431-V433 HydrophobicContact CD1-CG2 4.2Å; L431-V433 HydrophobicContact CD2-CG2 4.08Å; L431-V433 HydrophobicContact CG-CG2 3.9Å; L431-C444 CarbonylContact O-C 3.56Å; L431-C444 VanDerWaalsContact O-CA 3.3Å; L431-C444 WeakPolarHBondContact O-CA 3.1Å; L431-F445 HydrophobicContact CB-CB 4.29Å; L431-F445 HydrophobicContact CD2-CB 4.38Å; L431-F445 PolarHBondContact N-O 2.77Å; L431-F445 PolarHBondContact O-N 3.17Å; L431-P447 HydrophobicContact CB-CG 4.39Å
432C95.6Very high90.3Very high0 Ų027.1 Ų27.10%013%0.128CC..EExtended strand (participates in β ladder)trans-104.3127.6175.2-70.10000110.1V424 D425 L442 E443 V467 V469 V480V424-C432 WeakPolarHBondContact CA-O 3.23Å; D425-C432 PolarHBondContact N-O 2.82Å; D425-C432 PolarHBondContact O-N 2.95Å; C432-L442 HydrophobicContact CB-CD1 4.27Å; C432-E443 CarbonylContact C-O 3.53Å; C432-E443 WeakPolarHBondContact CA-O 3.33Å; C432-V467 HydrophobicContact CB-CG1 3.84Å; C432-V469 HydrophobicContact CB-CG2 3.55Å; C432-V469 VanDerWaalsContact SG-CG2 3.53Å; C432-V480 HydrophobicContact CB-CG2 4.2Å
433V93.6Very high90.7Very high3 Ų326.1 Ų26.12%0.01812%0.122CC..EExtended strand (participates in β ladder)trans-132.4127.8-178.4178.30000109.1Y393 I408 V424 L431 S435 E443 F445Y393-V433 HydrophobicContact CE1-CG2 4.1Å; I408-V433 HydrophobicContact CD1-CB 3.94Å; I408-V433 HydrophobicContact CD1-CG1 3.98Å; I408-V433 HydrophobicContact CD1-CG2 3.64Å; I408-V433 HydrophobicContact CG2-CG1 4.42Å; V424-V433 HydrophobicContact CB-CG2 4.34Å; V424-V433 HydrophobicContact CG2-CG2 3.69Å; L431-V433 HydrophobicContact CD1-CG2 4.2Å; L431-V433 HydrophobicContact CD2-CG2 4.08Å; L431-V433 HydrophobicContact CG-CG2 3.9Å; V433-S435 PolarHBondContact O-N 2.81Å; V433-E443 PolarHBondContact N-O 3.48Å; V433-E443 PolarHBondContact O-N 2.79Å; V433-F445 HydrophobicContact CB-CE2 4.46Å
434R91.6Very high91Very high12 Ų1225.8 Ų25.85%0.04512%0.119CC..EExtended strand (participates in β ladder)trans-68.6128.7168.2175.8178.264.482.2-11.4109.4D420 A423 L436 R439 I464D420-R434 IonicContact OD2-CZ 2.95Å; D420-R434 IonicContact OD2-NH2 2.95Å; D420-R434 PolarHBondContact OD2-NH2 2.81Å; A423-R434 HydrophobicContact CB-CB 4.05Å; A423-R434 PolarHBondContact O-N 2.8Å; R434-L436 PolarHBondContact O-N 2.92Å; R434-R439 WeakPolarHBondContact CD-O 3.32Å; R434-R439 VanDerWaalsContact NH1-CG 3.32Å; R434-R439 VanDerWaalsContact NH2-NH2 3.14Å; R434-I464 WeakPolarHBondContact CD-O 3.37Å; R434-I464 HydrophobicContact CG-CB 4.32Å; R434-I464 PolarHBondContact NE-O 2.94Å
435S85Confident91Very high4 Ų426.1 Ų26.13%0.02812%0.12CC..  trans-59.7133.6179.8176.80000111.1V433 E437 N438 R441V433-S435 PolarHBondContact O-N 2.81Å; S435-E437 VanDerWaalsContact C-N 3.31Å; S435-E437 PolarHBondContact OG-N 3.01Å; S435-N438 WeakPolarHBondContact CB-O 3.3Å; S435-N438 CarbonylContact O-C 3.46Å; S435-N438 PolarHBondContact OG-N 2.84Å; S435-R441 PolarHBondContact N-O 3.46Å
436L74.3Confident91Very high25 Ų2526.3 Ų26.313%0.13112%0.121CC..SBendtrans-71.3-27.8173.3-69.3175000112I411 R417 R434I411-L436 HydrophobicContact CD1-CD1 3.99Å; R417-L436 PolarHBondContact NH1-O 2.88Å; R434-L436 PolarHBondContact O-N 2.92Å
437E73.9Confident90.9Very high114 Ų11426.3 Ų26.353%0.53312%0.121SC..SBendtrans-78.8-42.6178.8-67.3166.8-157.900110.9G410 S435G410-E437 PolarHBondContact N-OE1 3.38Å; S435-E437 VanDerWaalsContact C-N 3.31Å; S435-E437 PolarHBondContact OG-N 3.01Å
438N82.1Confident90.9Very high64 Ų6429.7 Ų29.734%0.34214%0.142SC..  trans-128.8102.8-179.7-176.4-8.8000110.4S435 K440 R441S435-N438 WeakPolarHBondContact CB-O 3.3Å; S435-N438 CarbonylContact O-C 3.46Å; S435-N438 PolarHBondContact OG-N 2.84Å; N438-K440 PolarHBondContact O-N 2.83Å; N438-K440 VanDerWaalsContact OD1-CB 3.28Å; N438-K440 WeakPolarHBondContact OD1-CB 3.25Å; N438-K440 WeakPolarHBondContact OD1-CG 3.38Å; N438-K440 PolarHBondContact OD1-N 3.48Å; N438-R441 HydrophobicContact CB-CB 4.16Å; N438-R441 WeakPolarHBondContact O-CB 3.21Å; N438-R441 PolarHBondContact O-N 3.38Å
439R85.1Confident90.8Very high57 Ų5731.7 Ų31.722%0.21515%0.153CC..THydrogen-bonded Turntrans-61.9-12.9-178.4-53.8-168.575.7163.36.6113.7V199 R434 D463 I464V199-R439 PolarHBondContact O-NH1 3.13Å; V199-R439 PolarHBondContact O-NH2 3.19Å; R434-R439 WeakPolarHBondContact CD-O 3.32Å; R434-R439 VanDerWaalsContact NH1-CG 3.32Å; R434-R439 VanDerWaalsContact NH2-NH2 3.14Å; R439-D463 HydrophobicContact CB-CB 3.94Å; R439-I464 WeakPolarHBondContact O-CB 3.31Å; R439-I464 PolarHBondContact O-N 2.85Å
440K90.9Very high90.6Very high79 Ų7930.8 Ų30.834%0.34315%0.15SC..THydrogen-bonded Turntrans-87.2-8.7176.3-47-173.3175.4-1660113.5N438 L459 H460 C461 D463N438-K440 PolarHBondContact O-N 2.83Å; N438-K440 VanDerWaalsContact OD1-CB 3.28Å; N438-K440 WeakPolarHBondContact OD1-CB 3.25Å; N438-K440 WeakPolarHBondContact OD1-CG 3.38Å; N438-K440 PolarHBondContact OD1-N 3.48Å; K440-L459 HydrophobicContact CB-CD1 4.37Å; K440-H460 WeakPolarHBondContact CB-O 3.4Å; K440-H460 PolarHBondContact O-N 2.98Å; K440-C461 WeakPolarHBondContact CD-O 3.47Å; K440-C461 WeakPolarHBondContact CE-O 3.3Å; K440-C461 PolarHBondContact NZ-O 2.86Å; K440-D463 WeakPolarHBondContact CE-OD1 3.31Å; K440-D463 VanDerWaalsContact CG-OD1 3.28Å; K440-D463 WeakPolarHBondContact CG-OD1 3.29Å
441R91.6Very high90.4Very high85 Ų8537.2 Ų37.232%0.32118%0.178SC..EExtended strand (participates in β ladder)trans-103.5128-176.2-169.7-175.8-169.3-174.95.8110.1S435 N438 E443 R452 T457 M458 L459S435-R441 PolarHBondContact N-O 3.46Å; N438-R441 HydrophobicContact CB-CB 4.16Å; N438-R441 WeakPolarHBondContact O-CB 3.21Å; N438-R441 PolarHBondContact O-N 3.38Å; R441-E443 WeakPolarHBondContact CD-OE1 3.42Å; R441-E443 HydrophobicContact CG-CG 4.23Å; R441-E443 IonicContact CZ-OE1 2.88Å; R441-E443 IonicContact NE-OE1 3.67Å; R441-E443 PolarHBondContact NE-OE1 2.71Å; R441-E443 IonicContact NH1-OE1 3.15Å; R441-E443 PolarHBondContact NH1-OE1 3.49Å; R441-R452 VanDerWaalsContact NH2-CZ 3.31Å; R441-T457 HydrophobicContact CG-CG2 3.99Å; R441-M458 WeakPolarHBondContact CA-O 3.5Å; R441-L459 HydrophobicContact CB-CD1 4.21Å
442L93.8Very high90.2Very high1 Ų140.6 Ų40.61%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-104.8125.3171.6-173.766000109.1C432 T457 M458 I464 V467 V480 F482C432-L442 HydrophobicContact CB-CD1 4.27Å; L442-T457 CarbonylContact O-C 3.6Å; L442-T457 WeakPolarHBondContact O-CA 3.44Å; L442-T457 WeakPolarHBondContact O-CG2 3.39Å; L442-M458 HydrophobicContact CB-CB 4.4Å; L442-M458 HydrophobicContact CD2-CE 3.99Å; L442-M458 PolarHBondContact N-O 3.35Å; L442-M458 PolarHBondContact O-N 2.89Å; L442-I464 HydrophobicContact CB-CD1 3.88Å; L442-V467 HydrophobicContact CD1-CB 4.44Å; L442-V467 HydrophobicContact CD1-CG1 3.94Å; L442-V467 HydrophobicContact CD1-CG2 3.57Å; L442-V480 HydrophobicContact CD2-CG1 3.89Å; L442-V480 HydrophobicContact CD2-CG2 3.92Å; L442-F482 HydrophobicContact CD2-CD1 4.27Å
443E93.3Very high90Very high11 Ų1142 Ų425%0.05120%0.199CC..EExtended strand (participates in β ladder)trans-112136.7-177.4-49.3-162.6145.600109.5C432 V433 R441 F445 R452C432-E443 CarbonylContact C-O 3.53Å; C432-E443 WeakPolarHBondContact CA-O 3.33Å; V433-E443 PolarHBondContact N-O 3.48Å; V433-E443 PolarHBondContact O-N 2.79Å; R441-E443 WeakPolarHBondContact CD-OE1 3.42Å; R441-E443 HydrophobicContact CG-CG 4.23Å; R441-E443 IonicContact CZ-OE1 2.88Å; R441-E443 IonicContact NE-OE1 3.67Å; R441-E443 PolarHBondContact NE-OE1 2.71Å; R441-E443 IonicContact NH1-OE1 3.15Å; R441-E443 PolarHBondContact NH1-OE1 3.49Å; E443-F445 HydrophobicContact CB-CE2 3.63Å; E443-F445 HydrophobicContact CB-CZ 4.16Å; E443-R452 VanDerWaalsContact CD-CZ 3.44Å; E443-R452 VanDerWaalsContact CG-NH2 3.31Å; E443-R452 IonicContact OE1-CZ 2.79Å; E443-R452 IonicContact OE1-NH1 3.87Å; E443-R452 PolarHBondContact OE1-NH1 3.11Å; E443-R452 IonicContact OE1-NH2 3.96Å; E443-R452 PolarHBondContact OE1-NH2 2.95Å; E443-R452 IonicContact OE2-CZ 3.01Å; E443-R452 IonicContact OE2-NH1 3.8Å; E443-R452 PolarHBondContact OE2-NH1 3.15Å; E443-R452 IonicContact OE2-NH2 2.77Å
444C94.6Very high89.6Confident1 Ų146.8 Ų46.81%0.00723%0.225CC..EExtended strand (participates in β ladder)trans-111.9137.7177.6-174.20000109.3L431 V453 A456 L494L431-C444 CarbonylContact O-C 3.56Å; L431-C444 VanDerWaalsContact O-CA 3.3Å; L431-C444 WeakPolarHBondContact O-CA 3.1Å; C444-V453 PolarHBondContact O-N 3.48Å; C444-A456 HydrophobicContact CB-CB 3.51Å; C444-L494 HydrophobicContact CB-CD2 4.28Å
445F95Very high89.3Confident14 Ų1452 Ų526%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-125.4148178.8-62.1-97.8000109.6F406 I408 L431 V433 E443 P447 K451 R452F406-F445 HydrophobicContact CD2-CD1 4.24Å; F406-F445 HydrophobicContact CE2-CB 4.17Å; F406-F445 AromaticContact CE2-CD1 3.86Å; F406-F445 HydrophobicContact CE2-CD1 3.86Å; F406-F445 HydrophobicContact CE2-CE1 4.45Å; F406-F445 AromaticContact CE2-CG 3.95Å; F406-F445 HydrophobicContact CE2-CG 3.95Å; F406-F445 HydrophobicContact CZ-CB 4.25Å; I408-F445 HydrophobicContact CB-CZ 4.44Å; I408-F445 HydrophobicContact CD1-CD2 3.86Å; I408-F445 HydrophobicContact CD1-CE1 4.38Å; I408-F445 HydrophobicContact CD1-CE2 3.46Å; I408-F445 VanDerWaalsContact CD1-CE2 3.46Å; I408-F445 HydrophobicContact CD1-CG 4.49Å; I408-F445 HydrophobicContact CD1-CZ 3.78Å; I408-F445 HydrophobicContact CG1-CE1 4.07Å; I408-F445 HydrophobicContact CG1-CE2 3.93Å; I408-F445 HydrophobicContact CG1-CZ 3.66Å; I408-F445 HydrophobicContact CG2-CE2 4.31Å; I408-F445 HydrophobicContact CG2-CZ 4.03Å; L431-F445 HydrophobicContact CB-CB 4.29Å; L431-F445 HydrophobicContact CD2-CB 4.38Å; L431-F445 PolarHBondContact N-O 2.77Å; L431-F445 PolarHBondContact O-N 3.17Å; V433-F445 HydrophobicContact CB-CE2 4.46Å; E443-F445 HydrophobicContact CB-CE2 3.63Å; E443-F445 HydrophobicContact CB-CZ 4.16Å; F445-P447 WeakPolarHBondContact O-CD 3.27Å; F445-K451 CarbonylContact C-O 3.56Å; F445-K451 VanDerWaalsContact CA-O 3.31Å; F445-K451 WeakPolarHBondContact CA-O 2.84Å; F445-R452 HydrophobicContact CD1-CB 3.95Å; F445-R452 HydrophobicContact CE1-CB 3.69Å; F445-R452 HydrophobicContact CE1-CG 4.15Å; F445-R452 HydrophobicContact CZ-CB 4.39Å; F445-R452 HydrophobicContact CZ-CG 4.37Å
446D94.8Very high89.3Confident22 Ų2251.8 Ų51.812%0.11825%0.252CS..  trans-81.9119.1169.9-167-43.2000109.1T448 G450 K451 V453 K475D446-T448 VanDerWaalsContact CG-OG1 3.29Å; D446-T448 PolarHBondContact O-N 3.21Å; D446-T448 VanDerWaalsContact O-N 3.16Å; D446-T448 VanDerWaalsContact OD1-CB 3.31Å; D446-T448 WeakPolarHBondContact OD1-CB 3.03Å; D446-T448 WeakPolarHBondContact OD1-CG2 3.3Å; D446-T448 PolarHBondContact OD1-N 3.04Å; D446-T448 PolarHBondContact OD1-OG1 3.03Å; D446-G450 VanDerWaalsContact O-CA 3.26Å; D446-G450 WeakPolarHBondContact O-CA 3.49Å; D446-G450 PolarHBondContact O-N 3.32Å; D446-K451 PolarHBondContact N-O 2.86Å; D446-V453 HydrophobicContact CB-CG2 4.31Å; D446-K475 IonicContact OD2-NZ 3.99Å; D446-K475 PolarHBondContact OD2-NZ 3.24Å
447P95.7Very high90Very high0 Ų051.6 Ų51.60%025%0.252CS..THydrogen-bonded Turntrans-60-24.7179.3-26.736.9000114.2I384 I395 S404 L426 D429 L431 F445I384-P447 HydrophobicContact CD1-CB 3.58Å; I384-P447 HydrophobicContact CD1-CG 4.12Å; I395-P447 HydrophobicContact CD1-CB 3.67Å; I395-P447 HydrophobicContact CG2-CB 4.39Å; S404-P447 WeakPolarHBondContact CB-O 3.4Å; S404-P447 PolarHBondContact OG-O 3.24Å; L426-P447 HydrophobicContact CD1-CB 4.42Å; L426-P447 HydrophobicContact CD1-CG 3.99Å; D429-P447 VanDerWaalsContact O-CD 3.32Å; D429-P447 WeakPolarHBondContact O-CD 3.45Å; L431-P447 HydrophobicContact CB-CG 4.39Å; F445-P447 WeakPolarHBondContact O-CD 3.27Å
448T95Very high90.8Very high71 Ų7147 Ų4744%0.43623%0.231SC..THydrogen-bonded Turntrans-73.7-40.4-173.263.40000112.9D446D446-T448 VanDerWaalsContact CG-OG1 3.29Å; D446-T448 PolarHBondContact O-N 3.21Å; D446-T448 VanDerWaalsContact O-N 3.16Å; D446-T448 VanDerWaalsContact OD1-CB 3.31Å; D446-T448 WeakPolarHBondContact OD1-CB 3.03Å; D446-T448 WeakPolarHBondContact OD1-CG2 3.3Å; D446-T448 PolarHBondContact OD1-N 3.04Å; D446-T448 PolarHBondContact OD1-OG1 3.03Å
449D93.1Very high91.3Very high75 Ų7549.8 Ų49.840%0.40125%0.245SC..THydrogen-bonded Turntrans-120.7-4.5-177.974.8-6.3000113.9K451D449-K451 PolarHBondContact O-N 3.08Å; D449-K451 WeakPolarHBondContact OD1-CB 3.47Å; D449-K451 PolarHBondContact OD1-N 3.2Å; D449-K451 VanDerWaalsContact OD2-CD 3.29Å; D449-K451 WeakPolarHBondContact OD2-CD 3.41Å; D449-K451 WeakPolarHBondContact OD2-CE 3.11Å; D449-K451 WeakPolarHBondContact OD2-CG 3.29Å; D449-K451 IonicContact OD2-NZ 3.49Å; D449-K451 PolarHBondContact OD2-NZ 2.97Å
450G91.5Very high91.8Very high9 Ų947.9 Ų47.99%0.09324%0.239CC..  trans71.710.7179.800000114.1F406 D446F406-G450 VanDerWaalsContact CE1-CA 3.45Å; D446-G450 VanDerWaalsContact O-CA 3.26Å; D446-G450 WeakPolarHBondContact O-CA 3.49Å; D446-G450 PolarHBondContact O-N 3.32Å
451K92.5Very high91.9Very high135 Ų13548.5 Ų48.559%0.58725%0.251SS*.  trans-82.5142.9-179.6-66.3-171.1-162.7117.70111.4F445 D446 D449 V453F445-K451 CarbonylContact C-O 3.56Å; F445-K451 VanDerWaalsContact CA-O 3.31Å; F445-K451 WeakPolarHBondContact CA-O 2.84Å; D446-K451 PolarHBondContact N-O 2.86Å; D449-K451 PolarHBondContact O-N 3.08Å; D449-K451 WeakPolarHBondContact OD1-CB 3.47Å; D449-K451 PolarHBondContact OD1-N 3.2Å; D449-K451 VanDerWaalsContact OD2-CD 3.29Å; D449-K451 WeakPolarHBondContact OD2-CD 3.41Å; D449-K451 WeakPolarHBondContact OD2-CE 3.11Å; D449-K451 WeakPolarHBondContact OD2-CG 3.29Å; D449-K451 IonicContact OD2-NZ 3.49Å; D449-K451 PolarHBondContact OD2-NZ 2.97Å; K451-V453 PolarHBondContact O-N 2.88Å
452R91.3Very high91.9Very high70 Ų7050 Ų5026%0.26426%0.258SS..BIsolated β-bridgetrans-64.5130.1170.6-173.5-172.8177.9126.722.5109.9R441 E443 F445 D454 T457R441-R452 VanDerWaalsContact NH2-CZ 3.31Å; E443-R452 VanDerWaalsContact CD-CZ 3.44Å; E443-R452 VanDerWaalsContact CG-NH2 3.31Å; E443-R452 IonicContact OE1-CZ 2.79Å; E443-R452 IonicContact OE1-NH1 3.87Å; E443-R452 PolarHBondContact OE1-NH1 3.11Å; E443-R452 IonicContact OE1-NH2 3.96Å; E443-R452 PolarHBondContact OE1-NH2 2.95Å; E443-R452 IonicContact OE2-CZ 3.01Å; E443-R452 IonicContact OE2-NH1 3.8Å; E443-R452 PolarHBondContact OE2-NH1 3.15Å; E443-R452 IonicContact OE2-NH2 2.77Å; F445-R452 HydrophobicContact CD1-CB 3.95Å; F445-R452 HydrophobicContact CE1-CB 3.69Å; F445-R452 HydrophobicContact CE1-CG 4.15Å; F445-R452 HydrophobicContact CZ-CB 4.39Å; F445-R452 HydrophobicContact CZ-CG 4.37Å; R452-D454 VanDerWaalsContact CD-OD1 3.31Å; R452-D454 WeakPolarHBondContact CD-OD1 3Å; R452-D454 IonicContact NE-OD1 3.61Å; R452-D454 PolarHBondContact NE-OD1 3.49Å; R452-D454 PolarHBondContact O-N 2.9Å; R452-T457 PolarHBondContact NE-OG1 3Å; R452-T457 PolarHBondContact NH2-OG1 2.72Å
453V91.7Very high91.7Very high30 Ų3052.2 Ų52.218%0.18227%0.27CS..  trans-90.994.1170.4-175.40000107.6C444 D446 K451 N455 A456 T457 Y495C444-V453 PolarHBondContact O-N 3.48Å; D446-V453 HydrophobicContact CB-CG2 4.31Å; K451-V453 PolarHBondContact O-N 2.88Å; V453-N455 PolarHBondContact O-N 2.86Å; V453-A456 HydrophobicContact CB-CB 4.03Å; V453-A456 HydrophobicContact CG1-CB 3.74Å; V453-A456 PolarHBondContact O-N 3.09Å; V453-T457 PolarHBondContact O-N 3.5Å; V453-Y495 HydrophobicContact CG1-CD1 4.28Å; V453-Y495 HydrophobicContact CG1-CE1 3.86Å; V453-Y495 HydrophobicContact CG2-CE1 4.37Å
454D84.8Confident91.7Very high104 Ų10451.7 Ų51.756%0.55627%0.267SS*.G310 helixtrans-55-43.8-177.4-72.5-30.7000111.2R452 A456 T457 R498R452-D454 VanDerWaalsContact CD-OD1 3.31Å; R452-D454 WeakPolarHBondContact CD-OD1 3Å; R452-D454 IonicContact NE-OD1 3.61Å; R452-D454 PolarHBondContact NE-OD1 3.49Å; R452-D454 PolarHBondContact O-N 2.9Å; D454-A456 PolarHBondContact O-N 3.33Å; D454-T457 WeakPolarHBondContact O-CB 3.37Å; D454-T457 PolarHBondContact O-N 2.76Å; D454-T457 PolarHBondContact O-OG1 3.42Å; D454-R498 PolarHBondContact O-NH2 2.87Å
455N84.4Confident91.4Very high120 Ų12055 Ų5564%0.64228%0.284SS*.G310 helixtrans-61.3-11.6177.5-71.6-3.3000115.1V453 R498V453-N455 PolarHBondContact O-N 2.86Å; N455-R498 VanDerWaalsContact C-NH2 3.29Å; N455-R498 PolarHBondContact O-NE 2.9Å; N455-R498 PolarHBondContact O-NH2 2.88Å
456A86.4Confident91.3Very high1 Ų154.9 Ų54.91%0.00828%0.284CS..G310 helixtrans-111.71.917800000113.6C444 V453 D454 L494C444-A456 HydrophobicContact CB-CB 3.51Å; V453-A456 HydrophobicContact CB-CB 4.03Å; V453-A456 HydrophobicContact CG1-CB 3.74Å; V453-A456 PolarHBondContact O-N 3.09Å; D454-A456 PolarHBondContact O-N 3.33Å; A456-L494 VanDerWaalsContact CA-O 3.26Å; A456-L494 WeakPolarHBondContact CA-O 3.43Å; A456-L494 HydrophobicContact CB-CB 4.14Å; A456-L494 HydrophobicContact CB-CD2 4.26Å; A456-L494 VanDerWaalsContact CB-O 3.23Å; A456-L494 WeakPolarHBondContact CB-O 3.28Å
457T88.2Confident91.4Very high20 Ų2054.1 Ų54.112%0.12328%0.28CS..  trans-71.7134.2173.1-60.70000110.9R441 L442 R452 V453 D454R441-T457 HydrophobicContact CG-CG2 3.99Å; L442-T457 CarbonylContact O-C 3.6Å; L442-T457 WeakPolarHBondContact O-CA 3.44Å; L442-T457 WeakPolarHBondContact O-CG2 3.39Å; R452-T457 PolarHBondContact NE-OG1 3Å; R452-T457 PolarHBondContact NH2-OG1 2.72Å; V453-T457 PolarHBondContact O-N 3.5Å; D454-T457 WeakPolarHBondContact O-CB 3.37Å; D454-T457 PolarHBondContact O-N 2.76Å; D454-T457 PolarHBondContact O-OG1 3.42Å
458M91.2Very high91.5Very high18 Ų1854.3 Ų54.39%0.08928%0.281CS..EExtended strand (participates in β ladder)trans-120.6148177.5-71.1-175-86.700112R441 L442 V480 L494 L500R441-M458 WeakPolarHBondContact CA-O 3.5Å; L442-M458 HydrophobicContact CB-CB 4.4Å; L442-M458 HydrophobicContact CD2-CE 3.99Å; L442-M458 PolarHBondContact N-O 3.35Å; L442-M458 PolarHBondContact O-N 2.89Å; M458-V480 HydrophobicContact CE-CG1 3.11Å; M458-L494 HydrophobicContact CE-CD2 3.8Å; M458-L500 HydrophobicContact SD-CD1 4.32Å
459L92.6Very high91.6Very high122 Ų12251 Ų5164%0.63926%0.261SS*.EExtended strand (participates in β ladder)trans-121.8126175.1-175.869.4000109.1K440 R441K440-L459 HydrophobicContact CB-CD1 4.37Å; R441-L459 HydrophobicContact CB-CD1 4.21Å
460H94.8Very high91.8Very high18 Ų1847.7 Ų47.78%0.08324%0.243CC..  trans-104.4164.4177.6-169.838.1000111.5K440 Y462 I464 F482 D484 F490K440-H460 WeakPolarHBondContact CB-O 3.4Å; K440-H460 PolarHBondContact O-N 2.98Å; H460-Y462 PolarHBondContact CD2-N 3.17Å; H460-Y462 PolarHBondContact CD2-O 3.49Å; H460-Y462 AromaticContact NE2-CD2 3.87Å; H460-I464 HydrophobicContact CB-CD1 4.33Å; H460-I464 HydrophobicContact CB-CG1 4.29Å; H460-F482 HydrophobicContact CB-CE2 4.35Å; H460-F482 HydrophobicContact CB-CZ 4.17Å; H460-F482 AromaticContact CD2-CE2 3.74Å; H460-F482 AromaticContact CG-CE2 3.91Å; H460-F482 AromaticContact CG-CZ 3.99Å; H460-D484 IonicContact CD2-OD2 2.78Å; H460-D484 IonicContact CE1-OD2 3.38Å; H460-D484 IonicContact NE2-OD2 3.96Å; H460-D484 PolarHBondContact NE2-OD2 3.18Å; H460-F490 AromaticContact CE1-CE2 3.54Å; H460-F490 AromaticContact CE1-CZ 3.5Å; H460-F490 VanDerWaalsContact CE1-CZ 3.5Å; H460-F490 WeakPolarHBondContact CE1-CZ 3.31Å; H460-F490 AromaticContact NE2-CE2 3.63Å
461C93.3Very high92Very high91 Ų9148.5 Ų48.562%0.61524%0.244SC*.SBendtrans-76.4-27.3175.8-64.90000112.6K440K440-C461 WeakPolarHBondContact CD-O 3.47Å; K440-C461 WeakPolarHBondContact CE-O 3.3Å; K440-C461 PolarHBondContact NZ-O 2.86Å
462Y92.5Very high92Very high118 Ų11842.8 Ų42.846%0.46322%0.223SC..SBendtrans-123.3165.3-174.9-59.1-76.5000111.5H460 I464 N486H460-Y462 PolarHBondContact CD2-N 3.17Å; H460-Y462 PolarHBondContact CD2-O 3.49Å; H460-Y462 AromaticContact NE2-CD2 3.87Å; Y462-I464 PolarHBondContact O-N 3.35Å; Y462-N486 WeakPolarHBondContact CD1-ND2 3.3Å; Y462-N486 WeakPolarHBondContact CD2-ND2 3.21Å; Y462-N486 WeakPolarHBondContact CE1-ND2 3.47Å; Y462-N486 VanDerWaalsContact CG-ND2 3.25Å
463D89.5Confident91.9Very high46 Ų4642.5 Ų42.525%0.24624%0.241CC..  trans-66.3130.9178.1-70.67.9000109.8R439 K440 D484 I485R439-D463 HydrophobicContact CB-CB 3.94Å; K440-D463 WeakPolarHBondContact CE-OD1 3.31Å; K440-D463 VanDerWaalsContact CG-OD1 3.28Å; K440-D463 WeakPolarHBondContact CG-OD1 3.29Å; D463-D484 CarbonylContact O-C 3.5Å; D463-D484 VanDerWaalsContact O-CA 3.27Å; D463-D484 WeakPolarHBondContact O-CA 3.4Å; D463-D484 WeakPolarHBondContact O-CB 3.48Å; D463-I485 HydrophobicContact CB-CB 4.38Å; D463-I485 HydrophobicContact CB-CG2 4.39Å; D463-I485 PolarHBondContact O-N 3.25Å
464I92.9Very high91.9Very high1 Ų145.8 Ų45.81%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-80.5134.1174.1-59.6171.6000107.1R434 R439 L442 H460 Y462 V467 F482R434-I464 WeakPolarHBondContact CD-O 3.37Å; R434-I464 HydrophobicContact CG-CB 4.32Å; R434-I464 PolarHBondContact NE-O 2.94Å; R439-I464 WeakPolarHBondContact O-CB 3.31Å; R439-I464 PolarHBondContact O-N 2.85Å; L442-I464 HydrophobicContact CB-CD1 3.88Å; H460-I464 HydrophobicContact CB-CD1 4.33Å; H460-I464 HydrophobicContact CB-CG1 4.29Å; Y462-I464 PolarHBondContact O-N 3.35Å; I464-V467 HydrophobicContact CG2-CG2 3.93Å; I464-F482 HydrophobicContact CB-CD2 4.48Å; I464-F482 HydrophobicContact CD1-CD2 4.3Å; I464-F482 HydrophobicContact CD1-CE2 4.28Å; I464-F482 HydrophobicContact CD1-CG 4.46Å; I464-F482 HydrophobicContact CD1-CZ 4.39Å; I464-F482 HydrophobicContact CG1-CD2 3.9Å; I464-F482 HydrophobicContact CG1-CE2 3.97Å; I464-F482 HydrophobicContact CG1-CG 4.46Å; I464-F482 HydrophobicContact CG2-CB 3.86Å; I464-F482 HydrophobicContact CG2-CD2 4.02Å; I464-F482 HydrophobicContact CG2-CG 4.11Å
465I88.4Confident92.3Very high70 Ų7044.4 Ų44.436%0.35925%0.251SS..EExtended strand (participates in β ladder)trans-103.7-52.8177.5-62.1-173.9000110.1V483 I485I465-V483 PolarHBondContact N-O 2.86Å; I465-I485 VanDerWaalsContact CD1-CA 3.46Å; I465-I485 HydrophobicContact CD1-CB 4.01Å; I465-I485 HydrophobicContact CD1-CG1 4.1Å; I465-I485 HydrophobicContact CG1-CB 4.3Å
466Q93.3Very high92.5Very high12 Ų1241.9 Ų41.96%0.05625%0.246CC..EExtended strand (participates in β ladder)trans-124.4143.6-176.1-174.717741.700111.3D422 F482 V483 T509 V510D422-Q466 HydrophobicContact CB-CB 4.12Å; D422-Q466 HydrophobicContact CB-CG 3.94Å; D422-Q466 CarbonylContact O-C 3.55Å; D422-Q466 VanDerWaalsContact O-CA 3.26Å; D422-Q466 WeakPolarHBondContact O-CA 3.22Å; D422-Q466 PolarHBondContact OD1-NE2 2.79Å; D422-Q466 VanDerWaalsContact OD1-NE2 3.17Å; Q466-F482 CarbonylContact O-C 3.46Å; Q466-F482 WeakPolarHBondContact O-CA 3.49Å; Q466-F482 WeakPolarHBondContact O-CB 3.34Å; Q466-V483 HydrophobicContact CB-CB 4.47Å; Q466-V483 PolarHBondContact N-O 3.06Å; Q466-V483 PolarHBondContact O-N 3.48Å; Q466-T509 VanDerWaalsContact CD-OG1 3.31Å; Q466-T509 PolarHBondContact NE2-OG1 3.1Å; Q466-T509 VanDerWaalsContact NE2-OG1 3.11Å; Q466-T509 VanDerWaalsContact OE1-CB 3.3Å; Q466-T509 PolarHBondContact OE1-OG1 2.89Å; Q466-V510 PolarHBondContact OE1-O 2.97Å
467V96.2Very high92.7Very high6 Ų643.5 Ų43.54%0.03626%0.263CS..EExtended strand (participates in β ladder)trans-123.3141.6176.7-177.90000109.2D422 C432 L442 I464 V480 A481 F482D422-V467 PolarHBondContact O-N 3.13Å; C432-V467 HydrophobicContact CB-CG1 3.84Å; L442-V467 HydrophobicContact CD1-CB 4.44Å; L442-V467 HydrophobicContact CD1-CG1 3.94Å; L442-V467 HydrophobicContact CD1-CG2 3.57Å; I464-V467 HydrophobicContact CG2-CG2 3.93Å; V467-V480 HydrophobicContact CG1-CG2 3.64Å; V467-A481 CarbonylContact C-O 3.59Å; V467-F482 HydrophobicContact CG2-CB 4.5Å
468S97.6Very high93Very high4 Ų442.8 Ų42.83%0.02826%0.258CS..EExtended strand (participates in β ladder)trans-141.5135.4166.5-1740000111D425 V480 A481 F512D425-S468 WeakPolarHBondContact OD2-CA 3.33Å; D425-S468 PolarHBondContact OD2-OG 2.77Å; S468-V480 CarbonylContact O-C 3.59Å; S468-V480 WeakPolarHBondContact O-CA 3.31Å; S468-V480 WeakPolarHBondContact O-CG2 3.31Å; S468-A481 PolarHBondContact N-O 3.05Å; S468-A481 PolarHBondContact O-N 3.02Å; S468-F512 WeakPolarHBondContact O-CD2 3.47Å; S468-F512 VanDerWaalsContact O-CE2 3.32Å; S468-F512 WeakPolarHBondContact O-CE2 3.38Å; S468-F512 PolarHBondContact OG-N 3.21Å
469V97.1Very high93.2Very high0 Ų042.4 Ų42.40%026%0.256CS..EExtended strand (participates in β ladder)trans-106.6137.6-178.1178.30000110D425 C427 C432 Q471 R478 V480D425-V469 HydrophobicContact CB-CB 4.35Å; D425-V469 HydrophobicContact CB-CG2 4.05Å; D425-V469 PolarHBondContact OD2-N 2.83Å; C427-V469 HydrophobicContact CB-CG1 3.71Å; C432-V469 HydrophobicContact CB-CG2 3.55Å; C432-V469 VanDerWaalsContact SG-CG2 3.53Å; V469-Q471 PolarHBondContact O-N 3.07Å; V469-Q471 PolarHBondContact O-NE2 3.12Å; V469-Q471 VanDerWaalsContact O-NE2 3.09Å; V469-R478 HydrophobicContact CG1-CG 4.17Å; V469-V480 HydrophobicContact CG2-CB 4.44Å; V469-V480 HydrophobicContact CG2-CG2 3.93Å
470E97.1Very high93.4Very high7 Ų736.6 Ų36.63%0.03323%0.225CC..  trans-61.7123.7177-175-179-161.800110.5C427 R478 K479 F512 A517C427-E470 PolarHBondContact SG-O 3.46Å; E470-R478 WeakPolarHBondContact O-CD 3.36Å; E470-R478 PolarHBondContact O-NH1 3.49Å; E470-K479 HydrophobicContact CB-CB 4.35Å; E470-K479 WeakPolarHBondContact CB-O 3.46Å; E470-K479 PolarHBondContact N-O 3.36Å; E470-K479 IonicContact OE1-NZ 3.45Å; E470-K479 PolarHBondContact OE1-NZ 3.06Å; E470-K479 VanDerWaalsContact OE2-CB 3.31Å; E470-K479 WeakPolarHBondContact OE2-CB 2.98Å; E470-K479 WeakPolarHBondContact OE2-CG 3.31Å; E470-K479 PolarHBondContact OE2-N 3.4Å; E470-K479 IonicContact OE2-NZ 3.27Å; E470-K479 PolarHBondContact OE2-NZ 2.92Å; E470-F512 HydrophobicContact CB-CD1 4.07Å; E470-F512 HydrophobicContact CB-CD2 4.29Å; E470-F512 HydrophobicContact CB-CE1 4.05Å; E470-F512 HydrophobicContact CB-CE2 4.24Å; E470-F512 HydrophobicContact CB-CG 4.2Å; E470-F512 HydrophobicContact CB-CZ 4.13Å; E470-F512 HydrophobicContact CG-CD1 4.23Å; E470-F512 HydrophobicContact CG-CE1 4.27Å; E470-F512 VanDerWaalsContact N-CD2 3.33Å; E470-A517 WeakPolarHBondContact OE1-CB 3.31Å
471Q96Very high93.6Very high25 Ų2535.7 Ų35.712%0.11722%0.221CC..  trans-84.6-41.7-177-60.2-61.6-47.400111.8W344 L426 V469 R478W344-Q471 HydrophobicContact CH2-CB 4.42Å; W344-Q471 HydrophobicContact CZ2-CG 4.38Å; L426-Q471 PolarHBondContact O-NE2 3.01Å; L426-Q471 PolarHBondContact O-OE1 3.26Å; V469-Q471 PolarHBondContact O-N 3.07Å; V469-Q471 PolarHBondContact O-NE2 3.12Å; V469-Q471 VanDerWaalsContact O-NE2 3.09Å; Q471-R478 PolarHBondContact O-NH1 3.02Å
472A92.7Very high93.8Very high16 Ų1631.4 Ų31.413%0.13219%0.192CC..SBendtrans-75.215718000000113.1R478A472-R478 PolarHBondContact O-NH1 2.97Å
473G89.8Confident93.9Very high63 Ų6326 Ų2665%0.64917%0.172SC*.SBendtrans88.1-165.5173.200000115R478G473-R478 PolarHBondContact O-NH2 2.62Å
474T91.9Very high94.2Very high99 Ų9924 Ų2461%0.60716%0.161SC*.  trans-104.1159.9-171.968.60000112.1A476 G477 R478T474-A476 PolarHBondContact O-N 3.14Å; T474-G477 PolarHBondContact O-N 3.12Å; T474-G477 VanDerWaalsContact O-N 3.08Å; T474-R478 PolarHBondContact O-N 2.98Å
475K92.2Very high93.9Very high76 Ų7628.7 Ų28.733%0.3319%0.185SC..G310 helixtrans-49.5-43.9175.5-166.7174.1-171.7171.40112.8D429 D446 G477 R478 Y495D429-K475 HydrophobicContact CB-CB 4.33Å; D429-K475 HydrophobicContact CB-CD 4.28Å; D429-K475 HydrophobicContact CB-CG 4.25Å; D429-K475 WeakPolarHBondContact OD2-CA 3.43Å; D429-K475 VanDerWaalsContact OD2-CB 3.31Å; D429-K475 WeakPolarHBondContact OD2-CB 3.41Å; D429-K475 PolarHBondContact OD2-N 3.14Å; D429-K475 VanDerWaalsContact OD2-N 3.17Å; D446-K475 IonicContact OD2-NZ 3.99Å; D446-K475 PolarHBondContact OD2-NZ 3.24Å; K475-G477 VanDerWaalsContact C-N 3.3Å; K475-G477 PolarHBondContact O-N 3.08Å; K475-R478 VanDerWaalsContact O-CB 3.28Å; K475-R478 WeakPolarHBondContact O-CB 3.4Å; K475-R478 PolarHBondContact O-N 3.39Å; K475-Y495 HydrophobicContact CD-CE1 4.46Å; K475-Y495 VanDerWaalsContact CE-CZ 3.47Å; K475-Y495 VanDerWaalsContact CE-OH 3.25Å; K475-Y495 WeakPolarHBondContact CE-OH 2.9Å; K475-Y495 HydrophobicContact CG-CD2 4.1Å; K475-Y495 HydrophobicContact CG-CE1 4.21Å; K475-Y495 HydrophobicContact CG-CE2 3.63Å; K475-Y495 WeakPolarHBondContact O-CD2 3.39Å; K475-Y495 WeakPolarHBondContact O-CE2 3.39Å
476A90Very high94Very high66 Ų6629.6 Ų29.655%0.54519%0.19SC..G310 helixtrans-63.1-35.1-177.500000113.4T474T474-A476 PolarHBondContact O-N 3.14Å
477G90.2Very high93.9Very high35 Ų3529.9 Ų29.936%0.36120%0.196SC..G310 helixtrans-92.53.9-179.400000114.6T474 K475 K479T474-G477 PolarHBondContact O-N 3.12Å; T474-G477 VanDerWaalsContact O-N 3.08Å; K475-G477 VanDerWaalsContact C-N 3.3Å; K475-G477 PolarHBondContact O-N 3.08Å; G477-K479 PolarHBondContact O-N 3.27Å; G477-K479 PolarHBondContact O-NZ 3.15Å
478R94.5Very high93.9Very high5 Ų530 Ų302%0.01920%0.198CC..  trans-63.5125.9-171.2-166.872.260.2-154.5-9.1111.4C427 D429 V469 E470 Q471 A472 G473 T474 K475 L494 Y495C427-R478 PolarHBondContact SG-NH1 2.93Å; D429-R478 IonicContact OD1-CZ 2.7Å; D429-R478 IonicContact OD1-NE 2.74Å; D429-R478 PolarHBondContact OD1-NE 2.85Å; D429-R478 IonicContact OD1-NH2 3.59Å; D429-R478 PolarHBondContact OD1-NH2 2.86Å; D429-R478 IonicContact OD2-CZ 3.23Å; D429-R478 IonicContact OD2-NE 3.36Å; D429-R478 IonicContact OD2-NH2 2.7Å; D429-R478 PolarHBondContact OD2-NH2 2.92Å; V469-R478 HydrophobicContact CG1-CG 4.17Å; E470-R478 WeakPolarHBondContact O-CD 3.36Å; E470-R478 PolarHBondContact O-NH1 3.49Å; Q471-R478 PolarHBondContact O-NH1 3.02Å; A472-R478 PolarHBondContact O-NH1 2.97Å; G473-R478 PolarHBondContact O-NH2 2.62Å; T474-R478 PolarHBondContact O-N 2.98Å; K475-R478 VanDerWaalsContact O-CB 3.28Å; K475-R478 WeakPolarHBondContact O-CB 3.4Å; K475-R478 PolarHBondContact O-N 3.39Å; R478-L494 HydrophobicContact CB-CD1 4.31Å; R478-L494 HydrophobicContact CG-CD1 3.71Å; R478-L494 PolarHBondContact O-N 3.38Å; R478-Y495 HydrophobicContact CB-CD2 4.04Å; R478-Y495 HydrophobicContact CB-CE2 3.97Å; R478-Y495 HydrophobicContact CG-CE2 4.46Å
479K95.5Very high93.8Very high10 Ų1029.9 Ų29.94%0.04320%0.196CC..EExtended strand (participates in β ladder)trans-108.9158.4174.9-58.3163.9-154.374.20111E470 G477 I491 G492 F512 E534 F537E470-K479 HydrophobicContact CB-CB 4.35Å; E470-K479 WeakPolarHBondContact CB-O 3.46Å; E470-K479 PolarHBondContact N-O 3.36Å; E470-K479 IonicContact OE1-NZ 3.45Å; E470-K479 PolarHBondContact OE1-NZ 3.06Å; E470-K479 VanDerWaalsContact OE2-CB 3.31Å; E470-K479 WeakPolarHBondContact OE2-CB 2.98Å; E470-K479 WeakPolarHBondContact OE2-CG 3.31Å; E470-K479 PolarHBondContact OE2-N 3.4Å; E470-K479 IonicContact OE2-NZ 3.27Å; E470-K479 PolarHBondContact OE2-NZ 2.92Å; G477-K479 PolarHBondContact O-N 3.27Å; G477-K479 PolarHBondContact O-NZ 3.15Å; K479-I491 HydrophobicContact CB-CD1 4.24Å; K479-I491 HydrophobicContact CB-CG1 4.25Å; K479-I491 HydrophobicContact CD-CD1 3.98Å; K479-G492 CarbonylContact C-O 3.58Å; K479-G492 VanDerWaalsContact CA-O 3.28Å; K479-G492 WeakPolarHBondContact CA-O 3.32Å; K479-F512 HydrophobicContact CB-CZ 4.27Å; K479-E534 WeakPolarHBondContact CE-OE2 3.32Å; K479-E534 IonicContact NZ-OE2 3.87Å; K479-E534 PolarHBondContact NZ-OE2 2.98Å; K479-F537 HydrophobicContact CD-CE2 4.23Å; K479-F537 HydrophobicContact CG-CE2 4.49Å
480V96.8Very high93.8Very high0 Ų031.1 Ų31.10%020%0.202CC..EExtended strand (participates in β ladder)trans-130.8139.4168.965.20000108.7C432 L442 M458 V467 S468 V469 I491 G492 L494C432-V480 HydrophobicContact CB-CG2 4.2Å; L442-V480 HydrophobicContact CD2-CG1 3.89Å; L442-V480 HydrophobicContact CD2-CG2 3.92Å; M458-V480 HydrophobicContact CE-CG1 3.11Å; V467-V480 HydrophobicContact CG1-CG2 3.64Å; S468-V480 CarbonylContact O-C 3.59Å; S468-V480 WeakPolarHBondContact O-CA 3.31Å; S468-V480 WeakPolarHBondContact O-CG2 3.31Å; V469-V480 HydrophobicContact CG2-CB 4.44Å; V469-V480 HydrophobicContact CG2-CG2 3.93Å; V480-I491 CarbonylContact O-C 3.54Å; V480-I491 WeakPolarHBondContact O-CA 3.4Å; V480-G492 PolarHBondContact N-O 3.33Å; V480-G492 PolarHBondContact O-N 2.98Å; V480-L494 HydrophobicContact CB-CD1 4.42Å; V480-L494 HydrophobicContact CB-CD2 4.13Å; V480-L494 HydrophobicContact CB-CG 4.27Å; V480-L494 HydrophobicContact CG1-CD2 3.6Å; V480-L494 HydrophobicContact CG1-CG 4.06Å
481A97.6Very high93.8Very high0 Ų030.8 Ų30.80%020%0.2CC..EExtended strand (participates in β ladder)trans-113.3146.4173.300000108.6V467 S468 F490 V510 F512 L519V467-A481 CarbonylContact C-O 3.59Å; S468-A481 PolarHBondContact N-O 3.05Å; S468-A481 PolarHBondContact O-N 3.02Å; A481-F490 CarbonylContact C-O 3.44Å; A481-F490 WeakPolarHBondContact CA-O 3.5Å; A481-V510 HydrophobicContact CB-CG2 4.33Å; A481-F512 HydrophobicContact CB-CD2 4.44Å; A481-F512 HydrophobicContact CB-CE2 3.59Å; A481-F512 HydrophobicContact CB-CZ 4Å; A481-L519 HydrophobicContact CB-CD1 3.81Å; A481-L519 HydrophobicContact CB-CD2 3.75Å; A481-L519 HydrophobicContact CB-CG 4.47Å
482F97.3Very high93.7Very high1 Ų129.6 Ų29.60%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-146.6158.3173.968-102.4000112L442 H460 I464 Q466 V467 C489 F490 L500L442-F482 HydrophobicContact CD2-CD1 4.27Å; H460-F482 HydrophobicContact CB-CE2 4.35Å; H460-F482 HydrophobicContact CB-CZ 4.17Å; H460-F482 AromaticContact CD2-CE2 3.74Å; H460-F482 AromaticContact CG-CE2 3.91Å; H460-F482 AromaticContact CG-CZ 3.99Å; I464-F482 HydrophobicContact CB-CD2 4.48Å; I464-F482 HydrophobicContact CD1-CD2 4.3Å; I464-F482 HydrophobicContact CD1-CE2 4.28Å; I464-F482 HydrophobicContact CD1-CG 4.46Å; I464-F482 HydrophobicContact CD1-CZ 4.39Å; I464-F482 HydrophobicContact CG1-CD2 3.9Å; I464-F482 HydrophobicContact CG1-CE2 3.97Å; I464-F482 HydrophobicContact CG1-CG 4.46Å; I464-F482 HydrophobicContact CG2-CB 3.86Å; I464-F482 HydrophobicContact CG2-CD2 4.02Å; I464-F482 HydrophobicContact CG2-CG 4.11Å; Q466-F482 CarbonylContact O-C 3.46Å; Q466-F482 WeakPolarHBondContact O-CA 3.49Å; Q466-F482 WeakPolarHBondContact O-CB 3.34Å; V467-F482 HydrophobicContact CG2-CB 4.5Å; F482-C489 WeakPolarHBondContact O-CA 3.44Å; F482-F490 HydrophobicContact CD1-CB 4.44Å; F482-F490 HydrophobicContact CD2-CB 4.34Å; F482-F490 HydrophobicContact CD2-CD2 4.42Å; F482-F490 HydrophobicContact CE1-CB 4.06Å; F482-F490 HydrophobicContact CE2-CB 3.91Å; F482-F490 AromaticContact CE2-CD2 3.8Å; F482-F490 HydrophobicContact CE2-CD2 3.8Å; F482-F490 HydrophobicContact CE2-CG 4.06Å; F482-F490 HydrophobicContact CZ-CB 3.77Å; F482-F490 HydrophobicContact CZ-CD2 4.3Å; F482-F490 HydrophobicContact CZ-CG 4.11Å; F482-F490 PolarHBondContact N-O 3.43Å; F482-F490 PolarHBondContact O-N 3Å; F482-L500 HydrophobicContact CD1-CD1 4.47Å; F482-L500 HydrophobicContact CE1-CD1 3.43Å; F482-L500 VanDerWaalsContact CE1-CD1 3.43Å; F482-L500 HydrophobicContact CE1-CD2 4.26Å; F482-L500 HydrophobicContact CE1-CG 4.49Å; F482-L500 HydrophobicContact CZ-CD1 3.76Å; F482-L500 HydrophobicContact CZ-CD2 3.9Å; F482-L500 HydrophobicContact CZ-CG 4.43Å
483V96.1Very high93.8Very high5 Ų531.8 Ų31.83%0.0320%0.2CC..EExtended strand (participates in β ladder)trans-112.8132.2173.9177.80000108.6I465 Q466 S488 C489 V507 V510I465-V483 PolarHBondContact N-O 2.86Å; Q466-V483 HydrophobicContact CB-CB 4.47Å; Q466-V483 PolarHBondContact N-O 3.06Å; Q466-V483 PolarHBondContact O-N 3.48Å; V483-S488 WeakPolarHBondContact CA-O 3.46Å; V483-C489 HydrophobicContact CG2-CB 4.43Å; V483-V507 VanDerWaalsContact CG1-O 3.29Å; V483-V507 WeakPolarHBondContact CG1-O 2.93Å; V483-V507 HydrophobicContact CG2-CG1 4.19Å; V483-V510 HydrophobicContact CG2-CB 4.41Å; V483-V510 HydrophobicContact CG2-CG1 3.85Å; V483-V510 HydrophobicContact CG2-CG2 3.87Å
484D94.3Very high93.8Very high3 Ų328.9 Ų28.92%0.01617%0.169CC..EExtended strand (participates in β ladder)trans-91.4171.3174.87512000113H460 D463 N486 G487 S488 F490H460-D484 IonicContact CD2-OD2 2.78Å; H460-D484 IonicContact CE1-OD2 3.38Å; H460-D484 IonicContact NE2-OD2 3.96Å; H460-D484 PolarHBondContact NE2-OD2 3.18Å; D463-D484 CarbonylContact O-C 3.5Å; D463-D484 VanDerWaalsContact O-CA 3.27Å; D463-D484 WeakPolarHBondContact O-CA 3.4Å; D463-D484 WeakPolarHBondContact O-CB 3.48Å; D484-N486 PolarHBondContact O-N 3.06Å; D484-N486 WeakPolarHBondContact OD1-CA 2.89Å; D484-N486 WeakPolarHBondContact OD1-CB 3.25Å; D484-N486 PolarHBondContact OD1-N 3.26Å; D484-G487 PolarHBondContact O-N 2.93Å; D484-G487 PolarHBondContact OD1-N 2.86Å; D484-S488 PolarHBondContact N-O 2.87Å; D484-S488 WeakPolarHBondContact OD1-CB 3.3Å; D484-S488 PolarHBondContact OD1-N 2.89Å; D484-F490 WeakPolarHBondContact OD2-CE2 3.39Å
485I88.1Confident93.7Very high99 Ų9927 Ų2751%0.50815%0.151SC..THydrogen-bonded Turntrans-59.2-17.6178.8-164.6165.5000115.1D463 I465 G487D463-I485 HydrophobicContact CB-CB 4.38Å; D463-I485 HydrophobicContact CB-CG2 4.39Å; D463-I485 PolarHBondContact O-N 3.25Å; I465-I485 VanDerWaalsContact CD1-CA 3.46Å; I465-I485 HydrophobicContact CD1-CB 4.01Å; I465-I485 HydrophobicContact CD1-CG1 4.1Å; I465-I485 HydrophobicContact CG1-CB 4.3Å; I485-G487 VanDerWaalsContact C-N 3.29Å
486N90.7Very high93.1Very high90 Ų9025.5 Ų25.548%0.48115%0.153SC..THydrogen-bonded Turntrans-91.37.3176.5-57.7-47.6000112.3Y462 D484 S488Y462-N486 WeakPolarHBondContact CD1-ND2 3.3Å; Y462-N486 WeakPolarHBondContact CD2-ND2 3.21Å; Y462-N486 WeakPolarHBondContact CE1-ND2 3.47Å; Y462-N486 VanDerWaalsContact CG-ND2 3.25Å; D484-N486 PolarHBondContact O-N 3.06Å; D484-N486 WeakPolarHBondContact OD1-CA 2.89Å; D484-N486 WeakPolarHBondContact OD1-CB 3.25Å; D484-N486 PolarHBondContact OD1-N 3.26Å; N486-S488 VanDerWaalsContact C-N 3.25Å; N486-S488 PolarHBondContact O-N 3.18Å
487G90.8Very high92.1Very high17 Ų1725.6 Ų25.618%0.17516%0.16CC..SBendtrans66.626.2-174.900000112.7D484 I485 K505 I506 V507D484-G487 PolarHBondContact O-N 2.93Å; D484-G487 PolarHBondContact OD1-N 2.86Å; I485-G487 VanDerWaalsContact C-N 3.29Å; G487-K505 CarbonylContact O-C 3.56Å; G487-I506 CarbonylContact O-C 3.36Å; G487-I506 WeakPolarHBondContact O-CA 3.5Å; G487-I506 PolarHBondContact O-N 3.47Å; G487-V507 WeakPolarHBondContact CA-O 3.31Å; G487-V507 PolarHBondContact O-N 2.94Å
488S95.5Very high91.1Very high10 Ų1030.8 Ų30.87%0.0717%0.169CC..EExtended strand (participates in β ladder)trans-93.7131.5172.7-64.90000110.1V483 D484 N486 K502 G504V483-S488 WeakPolarHBondContact CA-O 3.46Å; D484-S488 PolarHBondContact N-O 2.87Å; D484-S488 WeakPolarHBondContact OD1-CB 3.3Å; D484-S488 PolarHBondContact OD1-N 2.89Å; N486-S488 VanDerWaalsContact C-N 3.25Å; N486-S488 PolarHBondContact O-N 3.18Å; S488-K502 PolarHBondContact OG-NZ 2.94Å; S488-G504 WeakPolarHBondContact CA-O 3.37Å
489C96.4Very high90.4Very high0 Ų032.9 Ų32.90%018%0.184CC..EExtended strand (participates in β ladder)trans-94.3135.8176.4176.80000110.2F482 V483 L503 G504 V507 V510F482-C489 WeakPolarHBondContact O-CA 3.44Å; V483-C489 HydrophobicContact CG2-CB 4.43Å; C489-L503 HydrophobicContact CB-CB 4.42Å; C489-L503 PolarHBondContact O-N 2.81Å; C489-G504 PolarHBondContact N-O 3.2Å; C489-G504 PolarHBondContact O-N 2.86Å; C489-V507 HydrophobicContact CB-CB 3.87Å; C489-V507 HydrophobicContact CB-CG1 4.06Å; C489-V507 HydrophobicContact CB-CG2 3.79Å; C489-V510 HydrophobicContact CB-CG1 4.38Å
490F97.1Very high90.2Very high27 Ų2735.3 Ų35.312%0.11820%0.197CC..EExtended strand (participates in β ladder)trans-127.4155.9176.1-65.4-98.7000110.9H460 A481 F482 D484 L500 V501 K502H460-F490 AromaticContact CE1-CE2 3.54Å; H460-F490 AromaticContact CE1-CZ 3.5Å; H460-F490 VanDerWaalsContact CE1-CZ 3.5Å; H460-F490 WeakPolarHBondContact CE1-CZ 3.31Å; H460-F490 AromaticContact NE2-CE2 3.63Å; A481-F490 CarbonylContact C-O 3.44Å; A481-F490 WeakPolarHBondContact CA-O 3.5Å; F482-F490 HydrophobicContact CD1-CB 4.44Å; F482-F490 HydrophobicContact CD2-CB 4.34Å; F482-F490 HydrophobicContact CD2-CD2 4.42Å; F482-F490 HydrophobicContact CE1-CB 4.06Å; F482-F490 HydrophobicContact CE2-CB 3.91Å; F482-F490 AromaticContact CE2-CD2 3.8Å; F482-F490 HydrophobicContact CE2-CD2 3.8Å; F482-F490 HydrophobicContact CE2-CG 4.06Å; F482-F490 HydrophobicContact CZ-CB 3.77Å; F482-F490 HydrophobicContact CZ-CD2 4.3Å; F482-F490 HydrophobicContact CZ-CG 4.11Å; F482-F490 PolarHBondContact N-O 3.43Å; F482-F490 PolarHBondContact O-N 3Å; D484-F490 WeakPolarHBondContact OD2-CE2 3.39Å; F490-L500 HydrophobicContact CB-CD1 3.78Å; F490-L500 HydrophobicContact CB-CG 4.41Å; F490-L500 HydrophobicContact CD1-CD1 4.47Å; F490-L500 HydrophobicContact CD1-CD2 4.48Å; F490-L500 HydrophobicContact CD1-CG 4.19Å; F490-L500 HydrophobicContact CG-CD1 4.48Å; F490-V501 CarbonylContact C-O 3.57Å; F490-V501 VanDerWaalsContact CA-O 3.23Å; F490-V501 WeakPolarHBondContact CA-O 3.18Å; F490-K502 HydrophobicContact CD1-CB 3.86Å; F490-K502 HydrophobicContact CD1-CG 4.34Å; F490-K502 HydrophobicContact CE1-CB 3.61Å; F490-K502 HydrophobicContact CE1-CD 4.26Å; F490-K502 HydrophobicContact CE1-CG 3.95Å; F490-K502 HydrophobicContact CZ-CB 4.26Å; F490-K502 HydrophobicContact CZ-CD 4.1Å; F490-K502 HydrophobicContact CZ-CG 4.09Å
491I96.4Very high90.1Very high0 Ų036.8 Ų36.80%021%0.206CC..EExtended strand (participates in β ladder)trans-129140171.3-167.9169.6000109.8K479 V480 V501 L503 F512 P533 A536 F537K479-I491 HydrophobicContact CB-CD1 4.24Å; K479-I491 HydrophobicContact CB-CG1 4.25Å; K479-I491 HydrophobicContact CD-CD1 3.98Å; V480-I491 CarbonylContact O-C 3.54Å; V480-I491 WeakPolarHBondContact O-CA 3.4Å; I491-V501 HydrophobicContact CG2-CB 4.42Å; I491-V501 PolarHBondContact N-O 3.03Å; I491-V501 PolarHBondContact O-N 2.67Å; I491-L503 HydrophobicContact CB-CD1 3.74Å; I491-L503 HydrophobicContact CB-CD2 4.45Å; I491-L503 HydrophobicContact CB-CG 3.94Å; I491-L503 HydrophobicContact CD1-CD1 4.42Å; I491-L503 HydrophobicContact CG2-CD1 3.94Å; I491-L503 HydrophobicContact CG2-CD2 3.71Å; I491-L503 HydrophobicContact CG2-CG 3.64Å; I491-F512 HydrophobicContact CD1-CZ 4.15Å; I491-P533 HydrophobicContact CD1-CB 3.44Å; I491-P533 VanDerWaalsContact CD1-CB 3.44Å; I491-A536 HydrophobicContact CG2-CB 4.09Å; I491-F537 HydrophobicContact CB-CZ 4.28Å; I491-F537 HydrophobicContact CD1-CE2 4.24Å; I491-F537 HydrophobicContact CG1-CE2 4.19Å; I491-F537 HydrophobicContact CG1-CZ 4Å; I491-F537 HydrophobicContact CG2-CE1 4.31Å; I491-F537 HydrophobicContact CG2-CE2 4.04Å; I491-F537 HydrophobicContact CG2-CZ 3.68Å
492G94.6Very high90Very high0 Ų040.9 Ų40.90%022%0.224CC..EExtended strand (participates in β ladder)trans-135.4147.1176.900000113.2K479 V480 C499K479-G492 CarbonylContact C-O 3.58Å; K479-G492 VanDerWaalsContact CA-O 3.28Å; K479-G492 WeakPolarHBondContact CA-O 3.32Å; V480-G492 PolarHBondContact N-O 3.33Å; V480-G492 PolarHBondContact O-N 2.98Å; G492-C499 WeakPolarHBondContact CA-O 3.42Å
493R93.2Very high89.9Confident62 Ų6241.6 Ų41.623%0.23423%0.228CC..EExtended strand (participates in β ladder)trans-83.3125169.3-70178.2170.8159.4-3.7109.2A496 C499 E534 F537R493-A496 WeakPolarHBondContact CB-O 3.43Å; R493-A496 WeakPolarHBondContact CD-O 3.31Å; R493-C499 PolarHBondContact N-O 3.43Å; R493-E534 IonicContact CZ-OE1 3.62Å; R493-E534 IonicContact NE-OE1 2.87Å; R493-E534 IonicContact NH2-OE1 2.99Å; R493-E534 PolarHBondContact NH2-OE1 3.35Å; R493-F537 HydrophobicContact CG-CD2 4.3Å; R493-F537 HydrophobicContact CG-CE1 4.18Å; R493-F537 HydrophobicContact CG-CE2 3.95Å; R493-F537 HydrophobicContact CG-CZ 3.87Å
494L91.4Very high89.7Confident1 Ų142.2 Ų42.21%0.00524%0.235CC..SBendtrans-74.7-46.7-176-72.5175.4000112.5C444 A456 M458 R478 V480C444-L494 HydrophobicContact CB-CD2 4.28Å; A456-L494 VanDerWaalsContact CA-O 3.26Å; A456-L494 WeakPolarHBondContact CA-O 3.43Å; A456-L494 HydrophobicContact CB-CB 4.14Å; A456-L494 HydrophobicContact CB-CD2 4.26Å; A456-L494 VanDerWaalsContact CB-O 3.23Å; A456-L494 WeakPolarHBondContact CB-O 3.28Å; M458-L494 HydrophobicContact CE-CD2 3.8Å; R478-L494 HydrophobicContact CB-CD1 4.31Å; R478-L494 HydrophobicContact CG-CD1 3.71Å; R478-L494 PolarHBondContact O-N 3.38Å; V480-L494 HydrophobicContact CB-CD1 4.42Å; V480-L494 HydrophobicContact CB-CD2 4.13Å; V480-L494 HydrophobicContact CB-CG 4.27Å; V480-L494 HydrophobicContact CG1-CD2 3.6Å; V480-L494 HydrophobicContact CG1-CG 4.06Å
495Y89.9Confident89.6Confident59 Ų5948.6 Ų48.623%0.23126%0.263CS..SBendtrans-109.3-37.3-171.9-57.4-86.4000113.3D429 S430 V453 K475 R478D429-Y495 PolarHBondContact O-OH 3.19Å; S430-Y495 WeakPolarHBondContact OG-CE2 3.32Å; S430-Y495 PolarHBondContact OG-OH 2.78Å; V453-Y495 HydrophobicContact CG1-CD1 4.28Å; V453-Y495 HydrophobicContact CG1-CE1 3.86Å; V453-Y495 HydrophobicContact CG2-CE1 4.37Å; K475-Y495 HydrophobicContact CD-CE1 4.46Å; K475-Y495 VanDerWaalsContact CE-CZ 3.47Å; K475-Y495 VanDerWaalsContact CE-OH 3.25Å; K475-Y495 WeakPolarHBondContact CE-OH 2.9Å; K475-Y495 HydrophobicContact CG-CD2 4.1Å; K475-Y495 HydrophobicContact CG-CE1 4.21Å; K475-Y495 HydrophobicContact CG-CE2 3.63Å; K475-Y495 WeakPolarHBondContact O-CD2 3.39Å; K475-Y495 WeakPolarHBondContact O-CE2 3.39Å; R478-Y495 HydrophobicContact CB-CD2 4.04Å; R478-Y495 HydrophobicContact CB-CE2 3.97Å; R478-Y495 HydrophobicContact CG-CE2 4.46Å
496A79Confident89.8Confident46 Ų4648.6 Ų48.638%0.3826%0.262SS..SBendtrans-92.6113.9-177.300000112R493 R498R493-A496 WeakPolarHBondContact CB-O 3.43Å; R493-A496 WeakPolarHBondContact CD-O 3.31Å; A496-R498 PolarHBondContact O-N 3.18Å
497G67.9Low89.9Confident67 Ų6744.3 Ų44.369%0.69124%0.24SC*.SBendtrans54.252.716400000114.8C499G497-C499 WeakPolarHBondContact O-CB 3.29Å; G497-C499 PolarHBondContact O-N 3.07Å
498R69.9Low89.9Confident144 Ų14446.8 Ų46.854%0.54325%0.247SC..  trans-2098.3-177.6-75.2-178.8172.6173.9-4.7113.2D454 N455 A496D454-R498 PolarHBondContact O-NH2 2.87Å; N455-R498 VanDerWaalsContact C-NH2 3.29Å; N455-R498 PolarHBondContact O-NE 2.9Å; N455-R498 PolarHBondContact O-NH2 2.88Å; A496-R498 PolarHBondContact O-N 3.18Å
499C80.7Confident89.8Confident50 Ų5046.4 Ų46.434%0.33824%0.244SC..  trans-133134.1176.7-173.20000107.5G492 R493 G497 F537G492-C499 WeakPolarHBondContact CA-O 3.42Å; R493-C499 PolarHBondContact N-O 3.43Å; G497-C499 WeakPolarHBondContact O-CB 3.29Å; G497-C499 PolarHBondContact O-N 3.07Å; C499-F537 HydrophobicContact CB-CD1 4.02Å; C499-F537 HydrophobicContact CB-CE1 4.19Å; C499-F537 WeakPolarHBondContact O-CE1 3.33Å
500L91.6Very high89.8Confident60 Ų6046.5 Ų46.531%0.31424%0.244SC..EExtended strand (participates in β ladder)trans-118.8118.3176.6179.367.8000107.7M458 F482 F490M458-L500 HydrophobicContact SD-CD1 4.32Å; F482-L500 HydrophobicContact CD1-CD1 4.47Å; F482-L500 HydrophobicContact CE1-CD1 3.43Å; F482-L500 VanDerWaalsContact CE1-CD1 3.43Å; F482-L500 HydrophobicContact CE1-CD2 4.26Å; F482-L500 HydrophobicContact CE1-CG 4.49Å; F482-L500 HydrophobicContact CZ-CD1 3.76Å; F482-L500 HydrophobicContact CZ-CD2 3.9Å; F482-L500 HydrophobicContact CZ-CG 4.43Å; F490-L500 HydrophobicContact CB-CD1 3.78Å; F490-L500 HydrophobicContact CB-CG 4.41Å; F490-L500 HydrophobicContact CD1-CD1 4.47Å; F490-L500 HydrophobicContact CD1-CD2 4.48Å; F490-L500 HydrophobicContact CD1-CG 4.19Å; F490-L500 HydrophobicContact CG-CD1 4.48Å
501V94Very high89.8Confident32 Ų3248.1 Ų48.119%0.19425%0.251CS..EExtended strand (participates in β ladder)trans-121.2142.7-176.6-175.70000109.8F490 I491 A536 F537F490-V501 CarbonylContact C-O 3.57Å; F490-V501 VanDerWaalsContact CA-O 3.23Å; F490-V501 WeakPolarHBondContact CA-O 3.18Å; I491-V501 HydrophobicContact CG2-CB 4.42Å; I491-V501 PolarHBondContact N-O 3.03Å; I491-V501 PolarHBondContact O-N 2.67Å; V501-A536 HydrophobicContact CB-CB 4.33Å; V501-A536 HydrophobicContact CG1-CB 3.98Å; V501-F537 HydrophobicContact CB-CD1 4.44Å; V501-F537 HydrophobicContact CB-CE1 4.31Å; V501-F537 HydrophobicContact CG2-CD1 3.57Å; V501-F537 HydrophobicContact CG2-CE1 3.78Å
502K95.2Very high89.8Confident85 Ų8548.3 Ų48.337%0.3725%0.253SS..EExtended strand (participates in β ladder)trans-79.2123.7174-172.6170.7-176.7145.30110.3S488 F490 G504 K505S488-K502 PolarHBondContact OG-NZ 2.94Å; F490-K502 HydrophobicContact CD1-CB 3.86Å; F490-K502 HydrophobicContact CD1-CG 4.34Å; F490-K502 HydrophobicContact CE1-CB 3.61Å; F490-K502 HydrophobicContact CE1-CD 4.26Å; F490-K502 HydrophobicContact CE1-CG 3.95Å; F490-K502 HydrophobicContact CZ-CB 4.26Å; F490-K502 HydrophobicContact CZ-CD 4.1Å; F490-K502 HydrophobicContact CZ-CG 4.09Å; K502-G504 WeakPolarHBondContact CE-O 3.3Å; K502-K505 VanDerWaalsContact CE-CG 3.49Å
503L95Very high89.9Confident17 Ų1748.3 Ų48.39%0.08925%0.253CS..EExtended strand (participates in β ladder)trans-89.6-39.3175.8-73.9-177.4000113.2C489 I491 L519 W530 A536 L543C489-L503 HydrophobicContact CB-CB 4.42Å; C489-L503 PolarHBondContact O-N 2.81Å; I491-L503 HydrophobicContact CB-CD1 3.74Å; I491-L503 HydrophobicContact CB-CD2 4.45Å; I491-L503 HydrophobicContact CB-CG 3.94Å; I491-L503 HydrophobicContact CD1-CD1 4.42Å; I491-L503 HydrophobicContact CG2-CD1 3.94Å; I491-L503 HydrophobicContact CG2-CD2 3.71Å; I491-L503 HydrophobicContact CG2-CG 3.64Å; L503-L519 HydrophobicContact CD1-CD2 3.46Å; L503-L519 VanDerWaalsContact CD1-CD2 3.46Å; L503-W530 HydrophobicContact CB-CZ2 4.26Å; L503-A536 HydrophobicContact CD2-CB 3.53Å; L503-L543 HydrophobicContact CD2-CD1 4.13Å; L503-L543 HydrophobicContact CD2-CD2 3.85Å
504G92Very high89.9Confident17 Ų1746 Ų4618%0.17525%0.245CC..EExtended strand (participates in β ladder)trans-164.8171.9-169.900000114.6S488 C489 K502S488-G504 WeakPolarHBondContact CA-O 3.37Å; C489-G504 PolarHBondContact N-O 3.2Å; C489-G504 PolarHBondContact O-N 2.86Å; K502-G504 WeakPolarHBondContact CE-O 3.3Å
505K93Very high89.9Confident138 Ų13848.6 Ų48.660%0.626%0.262SS*.EExtended strand (participates in β ladder)trans-125.2154.8175.5-65-179.2-177.1176.40109.6G487 K502 V507 Q523G487-K505 CarbonylContact O-C 3.56Å; K502-K505 VanDerWaalsContact CE-CG 3.49Å; K505-V507 PolarHBondContact O-N 2.98Å; K505-Q523 PolarHBondContact O-NE2 3.29Å
506I91.2Very high90.1Very high98 Ų9846.1 Ų46.150%0.50325%0.253SS..SBendtrans59.531.1-179.7-40.1176.2000111.4G487 Q523 D524G487-I506 CarbonylContact O-C 3.36Å; G487-I506 WeakPolarHBondContact O-CA 3.5Å; G487-I506 PolarHBondContact O-N 3.47Å; I506-Q523 HydrophobicContact CB-CG 4.45Å; I506-Q523 WeakPolarHBondContact O-CG 3.4Å; I506-D524 WeakPolarHBondContact CG2-OD1 3.37Å
507V93.1Very high90.8Very high1 Ų145 Ų451%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-88.1119.6174.5-176.40000107.4V483 G487 C489 K505 T509 V510 V522 W530V483-V507 VanDerWaalsContact CG1-O 3.29Å; V483-V507 WeakPolarHBondContact CG1-O 2.93Å; V483-V507 HydrophobicContact CG2-CG1 4.19Å; G487-V507 WeakPolarHBondContact CA-O 3.31Å; G487-V507 PolarHBondContact O-N 2.94Å; C489-V507 HydrophobicContact CB-CB 3.87Å; C489-V507 HydrophobicContact CB-CG1 4.06Å; C489-V507 HydrophobicContact CB-CG2 3.79Å; K505-V507 PolarHBondContact O-N 2.98Å; V507-T509 WeakPolarHBondContact CG1-O 3.15Å; V507-V510 HydrophobicContact CG1-CG1 3.48Å; V507-V510 VanDerWaalsContact CG1-CG1 3.48Å; V507-V522 CarbonylContact C-O 3.59Å; V507-V522 WeakPolarHBondContact CA-O 3.26Å; V507-W530 HydrophobicContact CG2-CH2 4.14Å
508Q90.4Very high92.2Very high68 Ų6841.8 Ų41.832%0.31821%0.211SC..EExtended strand (participates in β ladder)trans-81.4-39.4-177.9-65.3167.912.400111.1V522 D524Q508-V522 PolarHBondContact N-O 3.16Å; Q508-D524 PolarHBondContact NE2-O 3.09Å
509T93.7Very high93.5Very high3 Ų335 Ų352%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-153.5154.9-176.9-177.40000111.1Q466 V507 G521 V522 A558 L560Q466-T509 VanDerWaalsContact CD-OG1 3.31Å; Q466-T509 PolarHBondContact NE2-OG1 3.1Å; Q466-T509 VanDerWaalsContact NE2-OG1 3.11Å; Q466-T509 VanDerWaalsContact OE1-CB 3.3Å; Q466-T509 PolarHBondContact OE1-OG1 2.89Å; V507-T509 WeakPolarHBondContact CG1-O 3.15Å; T509-G521 CarbonylContact O-C 3Å; T509-G521 WeakPolarHBondContact O-CA 3.16Å; T509-V522 HydrophobicContact CG2-CB 3.62Å; T509-V522 HydrophobicContact CG2-CG2 3.45Å; T509-V522 VanDerWaalsContact CG2-CG2 3.45Å; T509-V522 PolarHBondContact O-N 2.88Å; T509-A558 WeakPolarHBondContact CG2-O 3.42Å; T509-L560 HydrophobicContact CG2-CB 3.95Å; T509-L560 HydrophobicContact CG2-CD1 3.89Å; T509-L560 HydrophobicContact CG2-CG 3.78Å
510V96.5Very high94.3Very high1 Ų132.6 Ų32.61%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-139.8151.1175.1-62.40000112.4Q466 A481 V483 C489 V507 L519 L520 W530Q466-V510 PolarHBondContact OE1-O 2.97Å; A481-V510 HydrophobicContact CB-CG2 4.33Å; V483-V510 HydrophobicContact CG2-CB 4.41Å; V483-V510 HydrophobicContact CG2-CG1 3.85Å; V483-V510 HydrophobicContact CG2-CG2 3.87Å; C489-V510 HydrophobicContact CB-CG1 4.38Å; V507-V510 HydrophobicContact CG1-CG1 3.48Å; V507-V510 VanDerWaalsContact CG1-CG1 3.48Å; V510-L519 HydrophobicContact CB-CD1 4.21Å; V510-L520 CarbonylContact C-O 3.54Å; V510-L520 WeakPolarHBondContact CA-O 3.35Å; V510-W530 HydrophobicContact CG1-CZ3 4.45Å
511K96.6Very high94.5Very high61 Ų6129.7 Ų29.727%0.26515%0.154SC..EExtended strand (participates in β ladder)trans-151.6135.1172.4-154.9-179.6-17595.90111.1L520 L560 E561 F563K511-L520 PolarHBondContact N-O 3.39Å; K511-L520 PolarHBondContact O-N 2.96Å; K511-L560 HydrophobicContact CB-CB 4.32Å; K511-L560 HydrophobicContact CB-CD1 4.4Å; K511-E561 VanDerWaalsContact CE-O 3.31Å; K511-E561 WeakPolarHBondContact CE-O 3.42Å; K511-E561 PolarHBondContact NZ-O 3.43Å; K511-F563 HydrophobicContact CD-CB 4.28Å
512F97.3Very high94.5Very high5 Ų528.2 Ų28.22%0.02215%0.145CC..EExtended strand (participates in β ladder)trans-71.6152.5169.8-81.8-77.8000111.7S468 E470 K479 A481 I491 M518 L519 P533S468-F512 WeakPolarHBondContact O-CD2 3.47Å; S468-F512 VanDerWaalsContact O-CE2 3.32Å; S468-F512 WeakPolarHBondContact O-CE2 3.38Å; S468-F512 PolarHBondContact OG-N 3.21Å; E470-F512 HydrophobicContact CB-CD1 4.07Å; E470-F512 HydrophobicContact CB-CD2 4.29Å; E470-F512 HydrophobicContact CB-CE1 4.05Å; E470-F512 HydrophobicContact CB-CE2 4.24Å; E470-F512 HydrophobicContact CB-CG 4.2Å; E470-F512 HydrophobicContact CB-CZ 4.13Å; E470-F512 HydrophobicContact CG-CD1 4.23Å; E470-F512 HydrophobicContact CG-CE1 4.27Å; E470-F512 VanDerWaalsContact N-CD2 3.33Å; K479-F512 HydrophobicContact CB-CZ 4.27Å; A481-F512 HydrophobicContact CB-CD2 4.44Å; A481-F512 HydrophobicContact CB-CE2 3.59Å; A481-F512 HydrophobicContact CB-CZ 4Å; I491-F512 HydrophobicContact CD1-CZ 4.15Å; F512-M518 WeakPolarHBondContact CD1-O 3.17Å; F512-L519 HydrophobicContact CD1-CB 4.12Å; F512-L519 HydrophobicContact CD1-CD1 3.9Å; F512-L519 HydrophobicContact CD2-CD1 3.77Å; F512-L519 HydrophobicContact CE1-CB 3.98Å; F512-L519 HydrophobicContact CE1-CD1 3.99Å; F512-L519 HydrophobicContact CE1-CG 4.49Å; F512-L519 HydrophobicContact CE2-CD1 3.88Å; F512-L519 HydrophobicContact CG-CD1 3.8Å; F512-L519 HydrophobicContact CZ-CD1 3.98Å; F512-P533 HydrophobicContact CE1-CG 4.49Å
513S95.8Very high94.3Very high0 Ų026 Ų260%014%0.136CC..  trans-65.7145.1168.7175.20000110.2C515 T516 M518 F563S513-C515 PolarHBondContact OG-N 2.92Å; S513-C515 PolarHBondContact OG-SG 3.29Å; S513-T516 WeakPolarHBondContact CB-OG1 3.49Å; S513-T516 PolarHBondContact OG-N 2.78Å; S513-T516 PolarHBondContact OG-OG1 3.1Å; S513-M518 PolarHBondContact N-O 2.97Å; S513-F563 VanDerWaalsContact CA-CD1 3.46Å
514D94.1Very high93.9Very high14 Ų1429.2 Ų29.28%0.07515%0.153CC..SBendtrans-67.5-31.8173.561-13.7000113.7Y306 W344 F563 H564 G565Y306-D514 WeakPolarHBondContact CE2-OD2 3.46Å; Y306-D514 PolarHBondContact OH-OD1 2.93Å; Y306-D514 PolarHBondContact OH-OD2 3.1Å; W344-D514 HydrophobicContact CH2-CB 3.81Å; W344-D514 WeakPolarHBondContact CH2-O 3.28Å; W344-D514 HydrophobicContact CZ2-CB 4.06Å; W344-D514 HydrophobicContact CZ3-CB 4.46Å; D514-F563 PolarHBondContact N-O 3.31Å; D514-H564 WeakPolarHBondContact OD2-CA 3.45Å; D514-H564 IonicContact OD2-CG 2.7Å; D514-H564 IonicContact OD2-ND1 3.47Å; D514-H564 PolarHBondContact OD2-ND1 3.27Å; D514-G565 PolarHBondContact OD1-N 2.84Å
515C91.8Very high93.7Very high55 Ų5532.8 Ų32.837%0.37217%0.165SC..SBendtrans-113.8-12.2-172.452.40000114.8S513S513-C515 PolarHBondContact OG-N 2.92Å; S513-C515 PolarHBondContact OG-SG 3.29Å
516T94.2Very high93.6Very high7 Ų726.5 Ų26.54%0.04314%0.139CC..SBendtrans-134.1168.3-17765.90000111.7S513 M518 F587 H590S513-T516 WeakPolarHBondContact CB-OG1 3.49Å; S513-T516 PolarHBondContact OG-N 2.78Å; S513-T516 PolarHBondContact OG-OG1 3.1Å; T516-M518 HydrophobicContact CG2-CE 4.05Å; T516-M518 PolarHBondContact O-N 3.28Å; T516-M518 WeakPolarHBondContact OG1-CB 3.37Å; T516-M518 WeakPolarHBondContact OG1-CE 3.33Å; T516-M518 PolarHBondContact OG1-N 3.21Å; T516-F587 HydrophobicContact CG2-CD1 4.14Å; T516-H590 HydrophobicContact CG2-CB 3.78Å
517A93.8Very high93.7Very high22 Ų2221.9 Ų21.918%0.18212%0.115CC..SBendtrans-75.93.7174.100000113.5E470 P533E470-A517 WeakPolarHBondContact OE1-CB 3.31Å; A517-P533 WeakPolarHBondContact O-CD 3.47Å; A517-P533 WeakPolarHBondContact O-CG 3.41Å
518M96.3Very high93.8Very high0 Ų022.6 Ų22.60%012%0.119CC..  trans-69.6143.9-177.9-65.7-168.1-78.900111.8F512 S513 T516 L529 C531 F563 F587 H590F512-M518 WeakPolarHBondContact CD1-O 3.17Å; S513-M518 PolarHBondContact N-O 2.97Å; T516-M518 HydrophobicContact CG2-CE 4.05Å; T516-M518 PolarHBondContact O-N 3.28Å; T516-M518 WeakPolarHBondContact OG1-CB 3.37Å; T516-M518 WeakPolarHBondContact OG1-CE 3.33Å; T516-M518 PolarHBondContact OG1-N 3.21Å; M518-L529 HydrophobicContact CB-CD1 4.07Å; M518-L529 HydrophobicContact SD-CD1 4.2Å; M518-L529 HydrophobicContact SD-CD2 4.11Å; M518-L529 HydrophobicContact SD-CG 4.37Å; M518-C531 WeakPolarHBondContact CG-O 3.41Å; M518-F563 HydrophobicContact CB-CE1 4.49Å; M518-F587 HydrophobicContact CE-CD1 3.35Å; M518-F587 HydrophobicContact CE-CD2 4.06Å; M518-F587 HydrophobicContact CE-CE1 3.18Å; M518-F587 HydrophobicContact CE-CE2 3.91Å; M518-F587 HydrophobicContact CE-CG 3.77Å; M518-F587 HydrophobicContact CE-CZ 3.46Å; M518-F587 VanDerWaalsContact CE-CZ 3.46Å; M518-H590 WeakPolarHBondContact CG-NE2 3.46Å
519L97.5Very high94.1Very high0 Ų019.6 Ų19.60%011%0.105CC..EExtended strand (participates in β ladder)trans-114.4132.6175.1-176.771.8000109.4A481 L503 V510 F512 W530 P533A481-L519 HydrophobicContact CB-CD1 3.81Å; A481-L519 HydrophobicContact CB-CD2 3.75Å; A481-L519 HydrophobicContact CB-CG 4.47Å; L503-L519 HydrophobicContact CD1-CD2 3.46Å; L503-L519 VanDerWaalsContact CD1-CD2 3.46Å; V510-L519 HydrophobicContact CB-CD1 4.21Å; F512-L519 HydrophobicContact CD1-CB 4.12Å; F512-L519 HydrophobicContact CD1-CD1 3.9Å; F512-L519 HydrophobicContact CD2-CD1 3.77Å; F512-L519 HydrophobicContact CE1-CB 3.98Å; F512-L519 HydrophobicContact CE1-CD1 3.99Å; F512-L519 HydrophobicContact CE1-CG 4.49Å; F512-L519 HydrophobicContact CE2-CD1 3.88Å; F512-L519 HydrophobicContact CG-CD1 3.8Å; F512-L519 HydrophobicContact CZ-CD1 3.98Å; L519-W530 HydrophobicContact CB-CB 4.28Å; L519-W530 HydrophobicContact CB-CE3 4.2Å; L519-W530 HydrophobicContact CD2-CD2 4.47Å; L519-W530 HydrophobicContact CD2-CE3 3.91Å; L519-W530 HydrophobicContact CD2-CZ3 4.28Å; L519-W530 HydrophobicContact CG-CE3 3.97Å; L519-W530 HydrophobicContact CG-CZ3 4.43Å; L519-W530 PolarHBondContact N-O 3.34Å; L519-W530 VanDerWaalsContact N-O 3.15Å; L519-W530 PolarHBondContact O-N 2.85Å; L519-P533 HydrophobicContact CB-CB 4.44Å; L519-P533 HydrophobicContact CB-CG 3.66Å
520L97.1Very high94.2Very high0 Ų019.8 Ų19.80%011%0.105CC..EExtended strand (participates in β ladder)trans-108.4139.9173.6-174.267.5000109.5V510 K511 L527 L528 L529 L560 F563 V568 L582V510-L520 CarbonylContact C-O 3.54Å; V510-L520 WeakPolarHBondContact CA-O 3.35Å; K511-L520 PolarHBondContact N-O 3.39Å; K511-L520 PolarHBondContact O-N 2.96Å; L520-L527 HydrophobicContact CD1-CB 4.15Å; L520-L528 CarbonylContact C-O 3.51Å; L520-L528 WeakPolarHBondContact CA-O 3.17Å; L520-L529 HydrophobicContact CB-CD1 4.5Å; L520-L529 HydrophobicContact CD1-CB 4.15Å; L520-L529 HydrophobicContact CD1-CD1 4.22Å; L520-L560 HydrophobicContact CB-CD1 4.41Å; L520-L560 HydrophobicContact CD2-CD1 4.3Å; L520-L560 HydrophobicContact CD2-CD2 3.62Å; L520-L560 HydrophobicContact CG-CD1 4.1Å; L520-L560 HydrophobicContact CG-CD2 4.28Å; L520-F563 HydrophobicContact CB-CD1 3.62Å; L520-F563 HydrophobicContact CB-CE1 3.63Å; L520-F563 HydrophobicContact CB-CG 4.26Å; L520-F563 HydrophobicContact CB-CZ 4.27Å; L520-F563 HydrophobicContact CD2-CD1 4.29Å; L520-F563 HydrophobicContact CD2-CD2 4.16Å; L520-F563 HydrophobicContact CD2-CE2 4.43Å; L520-F563 HydrophobicContact CD2-CG 4.1Å; L520-V568 HydrophobicContact CD2-CB 4.16Å; L520-V568 HydrophobicContact CD2-CG1 3.54Å; L520-V568 HydrophobicContact CD2-CG2 3.45Å; L520-V568 VanDerWaalsContact CD2-CG2 3.45Å; L520-L582 HydrophobicContact CD1-CD1 3.93Å; L520-L582 HydrophobicContact CD2-CD1 4.28Å
521G95.7Very high94.2Very high0 Ų019.8 Ų19.80%011%0.105CC..EExtended strand (participates in β ladder)trans-138158.4170.300000112.9T509 L528T509-G521 CarbonylContact O-C 3Å; T509-G521 WeakPolarHBondContact O-CA 3.16Å; G521-L528 PolarHBondContact N-O 3.33Å; G521-L528 PolarHBondContact O-N 2.85Å
522V94.4Very high94Very high0 Ų017.1 Ų17.10%09%0.094CC..EExtended strand (participates in β ladder)trans-103.4122173.3-178.70000108.4V507 Q508 T509 L527 L560 L570V507-V522 CarbonylContact C-O 3.59Å; V507-V522 WeakPolarHBondContact CA-O 3.26Å; Q508-V522 PolarHBondContact N-O 3.16Å; T509-V522 HydrophobicContact CG2-CB 3.62Å; T509-V522 HydrophobicContact CG2-CG2 3.45Å; T509-V522 VanDerWaalsContact CG2-CG2 3.45Å; T509-V522 PolarHBondContact O-N 2.88Å; V522-L527 HydrophobicContact CG2-CD2 3.87Å; V522-L560 HydrophobicContact CG2-CD1 3.99Å; V522-L560 HydrophobicContact CG2-CD2 4.39Å; V522-L560 HydrophobicContact CG2-CG 3.79Å; V522-L570 HydrophobicContact CG2-CD2 3.62Å
523Q91.7Very high93.9Very high39 Ų3917 Ų1718%0.1829%0.093CC..EExtended strand (participates in β ladder)trans-121.8116.7172.2-180-17555.900108.3K505 I506 E525 S526 L528K505-Q523 PolarHBondContact O-NE2 3.29Å; I506-Q523 HydrophobicContact CB-CG 4.45Å; I506-Q523 WeakPolarHBondContact O-CG 3.4Å; Q523-E525 PolarHBondContact O-N 3.43Å; Q523-E525 VanDerWaalsContact O-N 3.07Å; Q523-S526 PolarHBondContact N-O 2.97Å; Q523-S526 PolarHBondContact O-N 3.01Å; Q523-S526 PolarHBondContact O-OG 2.71Å; Q523-L528 HydrophobicContact CB-CD1 3.5Å; Q523-L528 HydrophobicContact CB-CG 4.05Å; Q523-L528 HydrophobicContact CG-CD1 4.23Å
524D85.3Confident93.7Very high84 Ų8418.9 Ų18.945%0.44910%0.102SC..THydrogen-bonded Turntrans52.4-108.9-173.3-59.1-42.7000111.9I506 Q508I506-D524 WeakPolarHBondContact CG2-OD1 3.37Å; Q508-D524 PolarHBondContact NE2-O 3.09Å
525E87.5Confident93.7Very high92 Ų9218.2 Ų18.243%0.4310%0.099SC..THydrogen-bonded Turntrans-113.628.4178.1-59.5179.1178.900110.6Q523 S552Q523-E525 PolarHBondContact O-N 3.43Å; Q523-E525 VanDerWaalsContact O-N 3.07Å; E525-S552 PolarHBondContact O-N 3.14Å
526S91.7Very high93.7Very high7 Ų715.9 Ų15.95%0.0498%0.084CC..EExtended strand (participates in β ladder)trans-135147.8-176.563.70000112.5Q523 K549Q523-S526 PolarHBondContact N-O 2.97Å; Q523-S526 PolarHBondContact O-N 3.01Å; Q523-S526 PolarHBondContact O-OG 2.71Å; S526-K549 WeakPolarHBondContact OG-CE 3.39Å
527L94.1Very high93.5Very high1 Ų117 Ų171%0.0059%0.088CC..EExtended strand (participates in β ladder)trans-91129.3171.3-62.1175.6000109.5L520 V522 K549 K550 I554 L570 C580 L582L520-L527 HydrophobicContact CD1-CB 4.15Å; V522-L527 HydrophobicContact CG2-CD2 3.87Å; L527-K549 CarbonylContact O-C 3.5Å; L527-K549 WeakPolarHBondContact O-CA 3.33Å; L527-K550 HydrophobicContact CB-CB 4.37Å; L527-K550 PolarHBondContact N-O 2.92Å; L527-K550 PolarHBondContact O-N 3.48Å; L527-I554 HydrophobicContact CD1-CD1 4.19Å; L527-I554 HydrophobicContact CD2-CD1 3.55Å; L527-I554 HydrophobicContact CG-CD1 3.58Å; L527-L570 HydrophobicContact CD1-CD1 4.38Å; L527-L570 HydrophobicContact CD2-CD1 4.12Å; L527-L570 HydrophobicContact CD2-CD2 4.23Å; L527-C580 HydrophobicContact CD1-CB 4.49Å; L527-L582 HydrophobicContact CD1-CD2 4.04Å
528L94.7Very high93.1Very high15 Ų1517.1 Ų17.18%0.0799%0.087CC..EExtended strand (participates in β ladder)trans-108.1113.9170.6-65.5172.8000108.2L520 G521 Q523 W530 V547 K549L520-L528 CarbonylContact C-O 3.51Å; L520-L528 WeakPolarHBondContact CA-O 3.17Å; G521-L528 PolarHBondContact N-O 3.33Å; G521-L528 PolarHBondContact O-N 2.85Å; Q523-L528 HydrophobicContact CB-CD1 3.5Å; Q523-L528 HydrophobicContact CB-CG 4.05Å; Q523-L528 HydrophobicContact CG-CD1 4.23Å; L528-W530 HydrophobicContact CB-CH2 4.09Å; L528-W530 HydrophobicContact CB-CZ2 4.41Å; L528-W530 HydrophobicContact CB-CZ3 4.2Å; L528-W530 HydrophobicContact CD1-CH2 4.1Å; L528-W530 HydrophobicContact CD1-CZ2 4.19Å; L528-V547 HydrophobicContact CB-CG1 4.36Å; L528-V547 HydrophobicContact CD2-CG1 4.05Å; L528-K549 HydrophobicContact CD2-CB 4.07Å; L528-K549 HydrophobicContact CD2-CD 3.93Å; L528-K549 HydrophobicContact CD2-CG 3.88Å
529L95.9Very high92.7Very high6 Ų618.5 Ų18.53%0.0319%0.094CC..EExtended strand (participates in β ladder)trans-102.1107.6173.2178.670.1000108.4M518 L520 C531 V547 L548 F563 L582M518-L529 HydrophobicContact CB-CD1 4.07Å; M518-L529 HydrophobicContact SD-CD1 4.2Å; M518-L529 HydrophobicContact SD-CD2 4.11Å; M518-L529 HydrophobicContact SD-CG 4.37Å; L520-L529 HydrophobicContact CB-CD1 4.5Å; L520-L529 HydrophobicContact CD1-CB 4.15Å; L520-L529 HydrophobicContact CD1-CD1 4.22Å; L529-C531 PolarHBondContact O-N 2.88Å; L529-V547 WeakPolarHBondContact O-CA 3.43Å; L529-L548 HydrophobicContact CB-CB 4.26Å; L529-L548 HydrophobicContact CD2-CD1 4.32Å; L529-L548 PolarHBondContact N-O 2.84Å; L529-L548 PolarHBondContact O-N 3.08Å; L529-F563 HydrophobicContact CD1-CE1 4.07Å; L529-F563 HydrophobicContact CD1-CZ 3.73Å; L529-L582 HydrophobicContact CD1-CD1 4.13Å; L529-L582 HydrophobicContact CD2-CD1 4.24Å
530W96.4Very high92.3Very high6 Ų622 Ų222%0.02312%0.122CC..EExtended strand (participates in β ladder)trans-76.6101.8166.3-66.7-89.9000108.1L503 V507 V510 L519 L528 Q532 P533 V547L503-W530 HydrophobicContact CB-CZ2 4.26Å; V507-W530 HydrophobicContact CG2-CH2 4.14Å; V510-W530 HydrophobicContact CG1-CZ3 4.45Å; L519-W530 HydrophobicContact CB-CB 4.28Å; L519-W530 HydrophobicContact CB-CE3 4.2Å; L519-W530 HydrophobicContact CD2-CD2 4.47Å; L519-W530 HydrophobicContact CD2-CE3 3.91Å; L519-W530 HydrophobicContact CD2-CZ3 4.28Å; L519-W530 HydrophobicContact CG-CE3 3.97Å; L519-W530 HydrophobicContact CG-CZ3 4.43Å; L519-W530 PolarHBondContact N-O 3.34Å; L519-W530 VanDerWaalsContact N-O 3.15Å; L519-W530 PolarHBondContact O-N 2.85Å; L528-W530 HydrophobicContact CB-CH2 4.09Å; L528-W530 HydrophobicContact CB-CZ2 4.41Å; L528-W530 HydrophobicContact CB-CZ3 4.2Å; L528-W530 HydrophobicContact CD1-CH2 4.1Å; L528-W530 HydrophobicContact CD1-CZ2 4.19Å; W530-Q532 VanDerWaalsContact C-N 3.29Å; W530-Q532 PolarHBondContact O-N 2.86Å; W530-P533 HydrophobicContact CB-CB 4.41Å; W530-P533 HydrophobicContact CB-CG 3.88Å; W530-V547 HydrophobicContact CG-CG2 4.01Å
531C95.5Very high91.9Very high1 Ų129 Ų291%0.00716%0.156CC..SBendtrans-67.8-31.8-179.6-66.60000111.8M518 L529 T546 H590 T616M518-C531 WeakPolarHBondContact CG-O 3.41Å; L529-C531 PolarHBondContact O-N 2.88Å; C531-T546 WeakPolarHBondContact CB-O 3.34Å; C531-T546 PolarHBondContact N-O 2.84Å; C531-H590 PolarHBondContact O-CE1 2.74Å; C531-H590 PolarHBondContact O-NE2 3.4Å; C531-T616 HydrophobicContact CB-CG2 4.27Å; C531-T616 WeakPolarHBondContact CB-OG1 3.49Å
532Q93.9Very high91.8Very high5 Ų529.1 Ų29.12%0.02316%0.156CC..  trans-137.184.7174.1-16771.60.300110.1W530 E534 T535 T546 H590 T616 V619 E620W530-Q532 VanDerWaalsContact C-N 3.29Å; W530-Q532 PolarHBondContact O-N 2.86Å; Q532-E534 HydrophobicContact CG-CB 4.46Å; Q532-E534 PolarHBondContact O-N 3.43Å; Q532-T535 WeakPolarHBondContact O-CB 3.46Å; Q532-T535 PolarHBondContact O-N 3.02Å; Q532-T535 PolarHBondContact O-OG1 3.11Å; Q532-T546 HydrophobicContact CB-CG2 4.44Å; Q532-H590 PolarHBondContact OE1-CE1 2.94Å; Q532-T616 HydrophobicContact CB-CG2 4.22Å; Q532-V619 HydrophobicContact CG-CB 4.22Å; Q532-V619 HydrophobicContact CG-CG1 3.8Å; Q532-E620 PolarHBondContact NE2-OE2 2.84Å
533P94.9Very high91.7Very high2 Ų229.8 Ų29.81%0.01316%0.16CC..THydrogen-bonded Turntrans-63-23.8-180-20.832.6000113.1I491 F512 A517 L519 W530 T535 A536I491-P533 HydrophobicContact CD1-CB 3.44Å; I491-P533 VanDerWaalsContact CD1-CB 3.44Å; F512-P533 HydrophobicContact CE1-CG 4.49Å; A517-P533 WeakPolarHBondContact O-CD 3.47Å; A517-P533 WeakPolarHBondContact O-CG 3.41Å; L519-P533 HydrophobicContact CB-CB 4.44Å; L519-P533 HydrophobicContact CB-CG 3.66Å; W530-P533 HydrophobicContact CB-CB 4.41Å; W530-P533 HydrophobicContact CB-CG 3.88Å; P533-T535 PolarHBondContact O-N 2.89Å; P533-A536 WeakPolarHBondContact O-CB 3.25Å; P533-A536 PolarHBondContact O-N 3.44Å; P533-A536 VanDerWaalsContact O-N 3.14Å
534E91.9Very high91.9Very high40 Ų4032.3 Ų32.319%0.18718%0.179CC..THydrogen-bonded Turntrans-61.5-24.9177.5-172.6140-159.800113.3K479 R493 Q532 A536 F537 L623K479-E534 WeakPolarHBondContact CE-OE2 3.32Å; K479-E534 IonicContact NZ-OE2 3.87Å; K479-E534 PolarHBondContact NZ-OE2 2.98Å; R493-E534 IonicContact CZ-OE1 3.62Å; R493-E534 IonicContact NE-OE1 2.87Å; R493-E534 IonicContact NH2-OE1 2.99Å; R493-E534 PolarHBondContact NH2-OE1 3.35Å; Q532-E534 HydrophobicContact CG-CB 4.46Å; Q532-E534 PolarHBondContact O-N 3.43Å; E534-A536 PolarHBondContact O-N 3.01Å; E534-F537 HydrophobicContact CG-CD2 4.41Å; E534-F537 PolarHBondContact O-N 2.98Å; E534-L623 HydrophobicContact CB-CD1 4.49Å; E534-L623 HydrophobicContact CG-CD1 3.96Å
535T92.8Very high92.3Very high0 Ų030.7 Ų30.70%017%0.168CC..Hα-helixtrans-53.8-29.4174.4-49.70000111.9Q532 P533 F537 V538 D539 L542 L543 T546 V619Q532-T535 WeakPolarHBondContact O-CB 3.46Å; Q532-T535 PolarHBondContact O-N 3.02Å; Q532-T535 PolarHBondContact O-OG1 3.11Å; P533-T535 PolarHBondContact O-N 2.89Å; T535-F537 PolarHBondContact O-N 3.3Å; T535-V538 PolarHBondContact O-N 2.91Å; T535-V538 VanDerWaalsContact O-N 3.07Å; T535-D539 WeakPolarHBondContact CG2-O 3.48Å; T535-D539 CarbonylContact O-C 3.58Å; T535-D539 PolarHBondContact O-N 3.03Å; T535-D539 VanDerWaalsContact O-O 3.11Å; T535-L542 HydrophobicContact CG2-CB 3.89Å; T535-L542 HydrophobicContact CG2-CD2 4.28Å; T535-L542 HydrophobicContact CG2-CG 4.08Å; T535-L543 HydrophobicContact CG2-CB 4.31Å; T535-T546 HydrophobicContact CG2-CG2 4.33Å; T535-V619 HydrophobicContact CG2-CG2 3.82Å; T535-V619 WeakPolarHBondContact OG1-CG1 3.45Å; T535-V619 WeakPolarHBondContact OG1-CG2 3.1Å
536A92.7Very high92.7Very high7 Ų726.3 Ų26.36%0.05815%0.148CC..Hα-helixtrans-61.2-29.1178.400000113.9I491 V501 L503 P533 E534 L543I491-A536 HydrophobicContact CG2-CB 4.09Å; V501-A536 HydrophobicContact CB-CB 4.33Å; V501-A536 HydrophobicContact CG1-CB 3.98Å; L503-A536 HydrophobicContact CD2-CB 3.53Å; P533-A536 WeakPolarHBondContact O-CB 3.25Å; P533-A536 PolarHBondContact O-N 3.44Å; P533-A536 VanDerWaalsContact O-N 3.14Å; E534-A536 PolarHBondContact O-N 3.01Å; A536-L543 HydrophobicContact CB-CD1 4.17Å; A536-L543 HydrophobicContact CB-CD2 3.96Å
537F89.7Confident92.9Very high30 Ų3027.5 Ų27.513%0.13216%0.155CC..Hα-helixtrans-85.5-18.6177.5-56.2-70.5000113.1K479 I491 R493 C499 V501 E534 T535K479-F537 HydrophobicContact CD-CE2 4.23Å; K479-F537 HydrophobicContact CG-CE2 4.49Å; I491-F537 HydrophobicContact CB-CZ 4.28Å; I491-F537 HydrophobicContact CD1-CE2 4.24Å; I491-F537 HydrophobicContact CG1-CE2 4.19Å; I491-F537 HydrophobicContact CG1-CZ 4Å; I491-F537 HydrophobicContact CG2-CE1 4.31Å; I491-F537 HydrophobicContact CG2-CE2 4.04Å; I491-F537 HydrophobicContact CG2-CZ 3.68Å; R493-F537 HydrophobicContact CG-CD2 4.3Å; R493-F537 HydrophobicContact CG-CE1 4.18Å; R493-F537 HydrophobicContact CG-CE2 3.95Å; R493-F537 HydrophobicContact CG-CZ 3.87Å; C499-F537 HydrophobicContact CB-CD1 4.02Å; C499-F537 HydrophobicContact CB-CE1 4.19Å; C499-F537 WeakPolarHBondContact O-CE1 3.33Å; V501-F537 HydrophobicContact CB-CD1 4.44Å; V501-F537 HydrophobicContact CB-CE1 4.31Å; V501-F537 HydrophobicContact CG2-CD1 3.57Å; V501-F537 HydrophobicContact CG2-CE1 3.78Å; E534-F537 HydrophobicContact CG-CD2 4.41Å; E534-F537 PolarHBondContact O-N 2.98Å; T535-F537 PolarHBondContact O-N 3.3Å
538V86.3Confident92.9Very high25 Ų2529.1 Ų29.115%0.15216%0.163CC..Hα-helixtrans-99.5-55-172.8172.80000110.2T535 L623 L661T535-V538 PolarHBondContact O-N 2.91Å; T535-V538 VanDerWaalsContact O-N 3.07Å; V538-L623 HydrophobicContact CG2-CD2 3.91Å; V538-L661 WeakPolarHBondContact CG1-O 3.46Å
539D88.1Confident92.8Very high28 Ų2834.2 Ų34.215%0.1519%0.185CC..  trans-150.5104.7-173.2-175-16.6000110.9T535 Q541 L542 L543 K642T535-D539 WeakPolarHBondContact CG2-O 3.48Å; T535-D539 CarbonylContact O-C 3.58Å; T535-D539 PolarHBondContact O-N 3.03Å; T535-D539 VanDerWaalsContact O-O 3.11Å; D539-Q541 PolarHBondContact O-N 2.84Å; D539-Q541 WeakPolarHBondContact OD1-CA 3.27Å; D539-Q541 WeakPolarHBondContact OD1-CB 3.3Å; D539-Q541 PolarHBondContact OD1-N 2.91Å; D539-L542 HydrophobicContact CB-CB 3.95Å; D539-L542 PolarHBondContact O-N 3.28Å; D539-L542 PolarHBondContact OD1-N 2.88Å; D539-L542 VanDerWaalsContact OD1-N 3.12Å; D539-L543 PolarHBondContact O-N 2.96Å; D539-K642 WeakPolarHBondContact OD2-CE 3.23Å; D539-K642 IonicContact OD2-NZ 3.63Å; D539-K642 PolarHBondContact OD2-NZ 3.29Å
540A88.5Confident92.5Very high73 Ų7337.8 Ų37.860%0.60320%0.2SC*.THydrogen-bonded Turntrans-66.9-23.7178.300000113.6
541Q89.1Confident91.9Very high149 Ų14945.7 Ų45.770%0.69624%0.237SC*.THydrogen-bonded Turntrans-79.4-30.5178.6-58.6-1750.800111.8D539 P544D539-Q541 PolarHBondContact O-N 2.84Å; D539-Q541 WeakPolarHBondContact OD1-CA 3.27Å; D539-Q541 WeakPolarHBondContact OD1-CB 3.3Å; D539-Q541 PolarHBondContact OD1-N 2.91Å; Q541-P544 WeakPolarHBondContact O-CD 3.45Å
542L91.7Very high91Very high2 Ų246.7 Ų46.71%0.0124%0.244CC..THydrogen-bonded Turntrans-81.6-23.4177.4-170.161.4000112.8T535 D539 K545 T546 A615 V619 Y634 I637 E639T535-L542 HydrophobicContact CG2-CB 3.89Å; T535-L542 HydrophobicContact CG2-CD2 4.28Å; T535-L542 HydrophobicContact CG2-CG 4.08Å; D539-L542 HydrophobicContact CB-CB 3.95Å; D539-L542 PolarHBondContact O-N 3.28Å; D539-L542 PolarHBondContact OD1-N 2.88Å; D539-L542 VanDerWaalsContact OD1-N 3.12Å; L542-K545 HydrophobicContact CD1-CB 4.23Å; L542-K545 HydrophobicContact CD1-CD 4.04Å; L542-K545 WeakPolarHBondContact O-CB 3.41Å; L542-K545 PolarHBondContact O-N 2.83Å; L542-T546 PolarHBondContact O-N 2.86Å; L542-A615 HydrophobicContact CD1-CB 4.43Å; L542-V619 HydrophobicContact CD2-CG2 3.36Å; L542-V619 HydrophobicContact CG-CG2 4.13Å; L542-Y634 HydrophobicContact CD1-CE1 4.48Å; L542-Y634 HydrophobicContact CD2-CE1 3.75Å; L542-I637 HydrophobicContact CD1-CD1 3.66Å; L542-E639 HydrophobicContact CD1-CG 4.34Å
543L94.2Very high90.3Very high14 Ų1453.8 Ų53.87%0.07328%0.282CS..G310 helixtrans-51.5-47.3-179.2177.269.1000113.9L503 T535 A536 D539 K545 T546 V547L503-L543 HydrophobicContact CD2-CD1 4.13Å; L503-L543 HydrophobicContact CD2-CD2 3.85Å; T535-L543 HydrophobicContact CG2-CB 4.31Å; A536-L543 HydrophobicContact CB-CD1 4.17Å; A536-L543 HydrophobicContact CB-CD2 3.96Å; D539-L543 PolarHBondContact O-N 2.96Å; L543-K545 PolarHBondContact O-N 2.78Å; L543-T546 PolarHBondContact O-N 3.02Å; L543-T546 PolarHBondContact O-OG1 3.19Å; L543-V547 WeakPolarHBondContact O-CG2 3.43Å
544P94.5Very high89.7Confident91 Ų9153.8 Ų53.859%0.59128%0.282SS*.G310 helixtrans-60.4-29.2178.4-22.934.8000113.3Q541 T546 V547Q541-P544 WeakPolarHBondContact O-CD 3.45Å; P544-T546 VanDerWaalsContact C-N 3.31Å; P544-V547 PolarHBondContact O-N 2.83Å
545K94.9Very high89.1Confident51 Ų5152.7 Ų52.722%0.22228%0.281CS..G310 helixtrans-72.1-24.6177-66.4-173.9167.5-1790111.8L542 L543 V547 E611 A612 A615 I637 E639L542-K545 HydrophobicContact CD1-CB 4.23Å; L542-K545 HydrophobicContact CD1-CD 4.04Å; L542-K545 WeakPolarHBondContact O-CB 3.41Å; L542-K545 PolarHBondContact O-N 2.83Å; L543-K545 PolarHBondContact O-N 2.78Å; K545-V547 VanDerWaalsContact C-N 3.28Å; K545-V547 PolarHBondContact O-N 3.42Å; K545-E611 WeakPolarHBondContact CD-OE1 3.23Å; K545-E611 VanDerWaalsContact CE-OE1 3.29Å; K545-E611 WeakPolarHBondContact CE-OE1 3.46Å; K545-E611 IonicContact NZ-OE1 3.31Å; K545-A612 WeakPolarHBondContact O-CA 3.34Å; K545-A612 WeakPolarHBondContact O-CB 3.15Å; K545-A615 HydrophobicContact CB-CB 3.9Å; K545-I637 HydrophobicContact CD-CD1 4.37Å; K545-I637 PolarHBondContact NZ-O 3.45Å; K545-E639 WeakPolarHBondContact CE-OE1 3.47Å; K545-E639 IonicContact NZ-OE1 3.06Å; K545-E639 PolarHBondContact NZ-OE1 3.01Å
546T95.1Very high88.4Confident0 Ų059.8 Ų59.80%031%0.312CS..G310 helixtrans-88.412.4177.865.90000113.7C531 Q532 T535 L542 L543 P544 A615 V619C531-T546 WeakPolarHBondContact CB-O 3.34Å; C531-T546 PolarHBondContact N-O 2.84Å; Q532-T546 HydrophobicContact CB-CG2 4.44Å; T535-T546 HydrophobicContact CG2-CG2 4.33Å; L542-T546 PolarHBondContact O-N 2.86Å; L543-T546 PolarHBondContact O-N 3.02Å; L543-T546 PolarHBondContact O-OG1 3.19Å; P544-T546 VanDerWaalsContact C-N 3.31Å; T546-A615 HydrophobicContact CG2-CB 3.76Å; T546-V619 HydrophobicContact CG2-CG2 4.17Å
547V95Very high87.7Confident32 Ų3262.5 Ų62.519%0.19434%0.335CS..EExtended strand (participates in β ladder)trans-109.2123-177-178.90000111.3L528 L529 W530 L543 P544 K545L528-V547 HydrophobicContact CB-CG1 4.36Å; L528-V547 HydrophobicContact CD2-CG1 4.05Å; L529-V547 WeakPolarHBondContact O-CA 3.43Å; W530-V547 HydrophobicContact CG-CG2 4.01Å; L543-V547 WeakPolarHBondContact O-CG2 3.43Å; P544-V547 PolarHBondContact O-N 2.83Å; K545-V547 VanDerWaalsContact C-N 3.28Å; K545-V547 PolarHBondContact O-N 3.42Å
548L94.1Very high87.5Confident34 Ų3461.2 Ų61.218%0.17833%0.329CS..EExtended strand (participates in β ladder)trans-92.4124.7169.1-71.6174.9000110L529 A612 L613L529-L548 HydrophobicContact CB-CB 4.26Å; L529-L548 HydrophobicContact CD2-CD1 4.32Å; L529-L548 PolarHBondContact N-O 2.84Å; L529-L548 PolarHBondContact O-N 3.08Å; L548-A612 HydrophobicContact CD2-CB 3.67Å; L548-A612 HydrophobicContact CG-CB 3.91Å; L548-L613 HydrophobicContact CD1-CD2 4.47Å
549K92.6Very high87.6Confident123 Ų12362.8 Ų62.854%0.53533%0.333SS..EExtended strand (participates in β ladder)trans-105119.7175.1-173167.2-175160.20110.3S526 L527 L528S526-K549 WeakPolarHBondContact OG-CE 3.39Å; L527-K549 CarbonylContact O-C 3.5Å; L527-K549 WeakPolarHBondContact O-CA 3.33Å; L528-K549 HydrophobicContact CD2-CB 4.07Å; L528-K549 HydrophobicContact CD2-CD 3.93Å; L528-K549 HydrophobicContact CD2-CG 3.88Å
550K89.8Confident87.7Confident80 Ų8061.6 Ų61.635%0.34833%0.326SS..EExtended strand (participates in β ladder)trans-110.7112.6174-173.2-175.5-179.9-172.20109.5L527 C580 M581 L582L527-K550 HydrophobicContact CB-CB 4.37Å; L527-K550 PolarHBondContact N-O 2.92Å; L527-K550 PolarHBondContact O-N 3.48Å; K550-C580 PolarHBondContact NZ-SG 2.91Å; K550-M581 PolarHBondContact NZ-O 3.05Å; K550-L582 HydrophobicContact CD-CD2 4.23Å
551Q84Confident87.7Confident172 Ų17260.9 Ų60.980%0.80431%0.31SS*.EExtended strand (participates in β ladder)trans-66.8131.7165.8-71.8-177.8-16.100108.9
552S76.3Confident87.8Confident22 Ų2253.9 Ų53.915%0.15428%0.278CS..  trans-148.5142.3-178.6-63.10000107.9E525 I554E525-S552 PolarHBondContact O-N 3.14Å; S552-I554 PolarHBondContact O-N 3.09Å
553D79.4Confident88Confident154 Ų15453.8 Ų53.882%0.82428%0.278SS*.  trans-76.757.7-179.7-64.8-25000111.7G555D553-G555 VanDerWaalsContact C-N 3.32Å
554I82.4Confident87.9Confident2 Ų254.3 Ų54.31%0.0128%0.28CS..  trans-77.5-26.4-176.8-47.7169.3000109.9L527 S552 A558 L570 R572 I578L527-I554 HydrophobicContact CD1-CD1 4.19Å; L527-I554 HydrophobicContact CD2-CD1 3.55Å; L527-I554 HydrophobicContact CG-CD1 3.58Å; S552-I554 PolarHBondContact O-N 3.09Å; I554-A558 HydrophobicContact CB-CB 4.36Å; I554-A558 HydrophobicContact CG2-CB 3.23Å; I554-L570 HydrophobicContact CD1-CD1 3.75Å; I554-L570 HydrophobicContact CG1-CD1 4.08Å; I554-L570 HydrophobicContact CG2-CB 4.26Å; I554-L570 HydrophobicContact CG2-CD1 3.96Å; I554-L570 HydrophobicContact CG2-CD2 4.34Å; I554-L570 HydrophobicContact CG2-CG 4.41Å; I554-R572 WeakPolarHBondContact O-CG 3.4Å; I554-I578 HydrophobicContact CB-CD1 4.4Å; I554-I578 HydrophobicContact CG2-CD1 4.02Å
555G79.1Confident87.6Confident17 Ų1750.4 Ų50.418%0.17526%0.256CS..  trans77.9-176.8-172.200000112.2D553D553-G555 VanDerWaalsContact C-N 3.32Å
556K78.6Confident87.5Confident150 Ų15049.2 Ų49.265%0.65225%0.254SS*.THydrogen-bonded Turntrans-80.3149.9-173-63.4-179.6-179.31770111.6A558 S573K556-A558 VanDerWaalsContact C-N 3.27Å; K556-A558 PolarHBondContact O-N 3.05Å; K556-S573 WeakPolarHBondContact O-CB 3.33Å
557A77.6Confident87.3Confident64 Ų6451.7 Ų51.753%0.52927%0.265SS..THydrogen-bonded Turntrans54.339.8172.400000113.9
558A86.1Confident87.2Confident2 Ų250.2 Ų50.22%0.01726%0.257CS..  trans-78.8143.9177.100000111.2T509 I554 K556 R571T509-A558 WeakPolarHBondContact CG2-O 3.42Å; I554-A558 HydrophobicContact CB-CB 4.36Å; I554-A558 HydrophobicContact CG2-CB 3.23Å; K556-A558 VanDerWaalsContact C-N 3.27Å; K556-A558 PolarHBondContact O-N 3.05Å; A558-R571 CarbonylContact C-O 3.49Å; A558-R571 VanDerWaalsContact CA-O 3.3Å; A558-R571 WeakPolarHBondContact CA-O 3.35Å
559R87.4Confident87.1Confident58 Ų5849.1 Ų49.122%0.21925%0.252CS..EExtended strand (participates in β ladder)trans-110.6141.5179.8-173.3177.8176.1-159.71.8110.8H242 D422 L570 R571H242-R559 PolarHBondContact CE1-NH1 2.78Å; H242-R559 PolarHBondContact NE2-NH1 2.69Å; D422-R559 IonicContact OD1-CZ 3.97Å; D422-R559 VanDerWaalsContact OD1-CZ 3.31Å; D422-R559 IonicContact OD1-NE 3.9Å; D422-R559 PolarHBondContact OD1-NE 2.95Å; D422-R559 VanDerWaalsContact OD1-NE 3.15Å; D422-R559 IonicContact OD1-NH2 3.04Å; D422-R559 PolarHBondContact OD1-NH2 2.77Å; D422-R559 IonicContact OD2-CZ 3.85Å; D422-R559 IonicContact OD2-NE 2.84Å; D422-R559 PolarHBondContact OD2-NE 2.92Å; D422-R559 IonicContact OD2-NH2 3.02Å; D422-R559 PolarHBondContact OD2-NH2 3.01Å; R559-L570 CarbonylContact O-C 3.53Å; R559-L570 VanDerWaalsContact O-CA 3.29Å; R559-L570 WeakPolarHBondContact O-CA 3.27Å; R559-R571 PolarHBondContact N-O 2.82Å; R559-R571 PolarHBondContact O-N 2.73Å
560L91.7Very high87Confident4 Ų443.3 Ų43.32%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-84.6116.9174.6-80.8164.4000108.7T509 K511 L520 V522 V568 L570T509-L560 HydrophobicContact CG2-CB 3.95Å; T509-L560 HydrophobicContact CG2-CD1 3.89Å; T509-L560 HydrophobicContact CG2-CG 3.78Å; K511-L560 HydrophobicContact CB-CB 4.32Å; K511-L560 HydrophobicContact CB-CD1 4.4Å; L520-L560 HydrophobicContact CB-CD1 4.41Å; L520-L560 HydrophobicContact CD2-CD1 4.3Å; L520-L560 HydrophobicContact CD2-CD2 3.62Å; L520-L560 HydrophobicContact CG-CD1 4.1Å; L520-L560 HydrophobicContact CG-CD2 4.28Å; V522-L560 HydrophobicContact CG2-CD1 3.99Å; V522-L560 HydrophobicContact CG2-CD2 4.39Å; V522-L560 HydrophobicContact CG2-CG 3.79Å; L560-V568 HydrophobicContact CD2-CG1 3.49Å; L560-V568 VanDerWaalsContact CD2-CG1 3.49Å; L560-L570 HydrophobicContact CD2-CD2 3.43Å; L560-L570 VanDerWaalsContact CD2-CD2 3.43Å; L560-L570 HydrophobicContact CD2-CG 4.08Å; L560-L570 HydrophobicContact CG-CD2 3.81Å
561E88.3Confident86.9Confident57 Ų5741.7 Ų41.727%0.26622%0.218SC..EExtended strand (participates in β ladder)trans-92.2-44.8176.6-62-83.2148.600109.9K511 V569 R571 L577K511-E561 VanDerWaalsContact CE-O 3.31Å; K511-E561 WeakPolarHBondContact CE-O 3.42Å; K511-E561 PolarHBondContact NZ-O 3.43Å; E561-V569 HydrophobicContact CB-CB 4.33Å; E561-V569 HydrophobicContact CB-CG1 4.08Å; E561-V569 PolarHBondContact N-O 2.74Å; E561-R571 VanDerWaalsContact CD-NE 3.35Å; E561-R571 HydrophobicContact CG-CB 3.89Å; E561-R571 IonicContact OE1-CZ 3.41Å; E561-R571 IonicContact OE1-NE 3.61Å; E561-R571 PolarHBondContact OE1-NE 2.83Å; E561-R571 IonicContact OE1-NH2 3.83Å; E561-R571 IonicContact OE2-CZ 2.59Å; E561-R571 IonicContact OE2-NE 2.8Å; E561-R571 IonicContact OE2-NH2 3.6Å; E561-R571 PolarHBondContact OE2-NH2 2.64Å; E561-L577 HydrophobicContact CG-CD2 4.3Å
562G91.1Very high86.9Confident2 Ų237.4 Ų37.42%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-145145.5-173.500000113.4V569G562-V569 PolarHBondContact N-O 3.41Å; G562-V569 PolarHBondContact O-N 3.46Å
563F95.1Very high87Confident1 Ų137.7 Ų37.70%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-13992.8174.5-176.7-158.1000109.2K511 S513 D514 M518 L520 L529 G565 V568 L582 F587K511-F563 HydrophobicContact CD-CB 4.28Å; S513-F563 VanDerWaalsContact CA-CD1 3.46Å; D514-F563 PolarHBondContact N-O 3.31Å; M518-F563 HydrophobicContact CB-CE1 4.49Å; L520-F563 HydrophobicContact CB-CD1 3.62Å; L520-F563 HydrophobicContact CB-CE1 3.63Å; L520-F563 HydrophobicContact CB-CG 4.26Å; L520-F563 HydrophobicContact CB-CZ 4.27Å; L520-F563 HydrophobicContact CD2-CD1 4.29Å; L520-F563 HydrophobicContact CD2-CD2 4.16Å; L520-F563 HydrophobicContact CD2-CE2 4.43Å; L520-F563 HydrophobicContact CD2-CG 4.1Å; L529-F563 HydrophobicContact CD1-CE1 4.07Å; L529-F563 HydrophobicContact CD1-CZ 3.73Å; F563-G565 WeakPolarHBondContact CE2-O 3.48Å; F563-V568 HydrophobicContact CD2-CG2 3.88Å; F563-V568 HydrophobicContact CE2-CG2 4.18Å; F563-L582 HydrophobicContact CD2-CD1 4.5Å; F563-L582 HydrophobicContact CE2-CD1 3.59Å; F563-L582 HydrophobicContact CZ-CD1 3.9Å; F563-F587 HydrophobicContact CE2-CE1 4.17Å; F563-F587 AromaticContact CE2-CZ 3.66Å; F563-F587 HydrophobicContact CE2-CZ 3.66Å; F563-F587 HydrophobicContact CZ-CE1 4.16Å; F563-F587 AromaticContact CZ-CZ 3.76Å; F563-F587 HydrophobicContact CZ-CZ 3.76Å
564H92.7Very high86.7Confident25 Ų2532.5 Ų32.512%0.11617%0.169CC..EExtended strand (participates in β ladder)trans-120101.5-167.1-55.6-55.1000110.5W305 Y306 D514 S566 Q567W305-H564 AromaticContact CD1-CE1 3.7Å; W305-H564 AromaticContact CD1-CG 3.9Å; W305-H564 AromaticContact CD1-ND1 3.6Å; W305-H564 AromaticContact NE1-ND1 3.93Å; Y306-H564 HydrophobicContact CD1-CB 4.3Å; Y306-H564 HydrophobicContact CD2-CB 4.15Å; Y306-H564 HydrophobicContact CE1-CB 4.08Å; Y306-H564 HydrophobicContact CE2-CB 3.9Å; Y306-H564 HydrophobicContact CG-CB 4.33Å; D514-H564 WeakPolarHBondContact OD2-CA 3.45Å; D514-H564 IonicContact OD2-CG 2.7Å; D514-H564 IonicContact OD2-ND1 3.47Å; D514-H564 PolarHBondContact OD2-ND1 3.27Å; H564-S566 PolarHBondContact O-N 2.95Å; H564-Q567 PolarHBondContact N-O 3.21Å; H564-Q567 WeakPolarHBondContact O-CB 3.26Å; H564-Q567 PolarHBondContact O-N 2.85Å
565G89.4Confident86.3Confident8 Ų833.4 Ų33.48%0.08218%0.178CC..THydrogen-bonded Turntrans50.2-130.3-165.800000110.6Y306 D514 F563 Q567 F587Y306-G565 PolarHBondContact OH-N 3.38Å; D514-G565 PolarHBondContact OD1-N 2.84Å; F563-G565 WeakPolarHBondContact CE2-O 3.48Å; G565-Q567 PolarHBondContact O-N 3.07Å; G565-F587 WeakPolarHBondContact O-CE1 3.47Å; G565-F587 WeakPolarHBondContact O-CZ 3.39Å
566S90.9Very high86.4Confident27 Ų2736.1 Ų36.119%0.18919%0.194CC..THydrogen-bonded Turntrans-77.5-1.1176.860.30000114.8H564 M581 L582H564-S566 PolarHBondContact O-N 2.95Å; S566-M581 CarbonylContact O-C 3.52Å; S566-M581 WeakPolarHBondContact O-CA 3.41Å; S566-M581 VanDerWaalsContact OG-CE 3.28Å; S566-M581 WeakPolarHBondContact OG-CE 3.33Å; S566-L582 PolarHBondContact O-N 3.16Å
567Q92.1Very high86.6Confident51 Ų5130.9 Ų30.924%0.23817%0.173CC..EExtended strand (participates in β ladder)trans-93.9133.8-178.5-46.6-161.1-21.500111.2Y306 H564 G565 M581Y306-Q567 PolarHBondContact O-OE1 3.35Å; H564-Q567 PolarHBondContact N-O 3.21Å; H564-Q567 WeakPolarHBondContact O-CB 3.26Å; H564-Q567 PolarHBondContact O-N 2.85Å; G565-Q567 PolarHBondContact O-N 3.07Å; Q567-M581 HydrophobicContact CB-SD 4.14Å; Q567-M581 HydrophobicContact CG-CE 3.88Å; Q567-M581 HydrophobicContact CG-SD 3.63Å
568V93.5Very high87Confident2 Ų229.7 Ų29.71%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-122.8130.4178.8-178.60000108.9L520 L560 F563 L570 F579 C580 L582L520-V568 HydrophobicContact CD2-CB 4.16Å; L520-V568 HydrophobicContact CD2-CG1 3.54Å; L520-V568 HydrophobicContact CD2-CG2 3.45Å; L520-V568 VanDerWaalsContact CD2-CG2 3.45Å; L560-V568 HydrophobicContact CD2-CG1 3.49Å; L560-V568 VanDerWaalsContact CD2-CG1 3.49Å; F563-V568 HydrophobicContact CD2-CG2 3.88Å; F563-V568 HydrophobicContact CE2-CG2 4.18Å; V568-L570 HydrophobicContact CG1-CD1 4.02Å; V568-L570 HydrophobicContact CG1-CD2 4.48Å; V568-L570 HydrophobicContact CG1-CG 3.91Å; V568-F579 WeakPolarHBondContact O-CA 3.38Å; V568-C580 HydrophobicContact CB-CB 4.36Å; V568-C580 WeakPolarHBondContact CB-O 3.48Å; V568-C580 PolarHBondContact N-O 2.92Å; V568-C580 PolarHBondContact O-N 3.36Å; V568-L582 HydrophobicContact CG2-CD1 3.67Å; V568-L582 HydrophobicContact CG2-CD2 4.35Å; V568-L582 HydrophobicContact CG2-CG 3.65Å
569V92Very high87Confident11 Ų1133.7 Ų33.77%0.06717%0.174CC..EExtended strand (participates in β ladder)trans-109.9119.3174.8-1730000108.4R304 E561 G562 L577 F579R304-V569 HydrophobicContact CB-CG2 4.32Å; E561-V569 HydrophobicContact CB-CB 4.33Å; E561-V569 HydrophobicContact CB-CG1 4.08Å; E561-V569 PolarHBondContact N-O 2.74Å; G562-V569 PolarHBondContact N-O 3.41Å; G562-V569 PolarHBondContact O-N 3.46Å; V569-L577 HydrophobicContact CG1-CD2 4.2Å; V569-F579 HydrophobicContact CB-CE1 4.41Å; V569-F579 HydrophobicContact CG1-CD1 4.2Å; V569-F579 HydrophobicContact CG1-CE1 3.68Å; V569-F579 HydrophobicContact CG2-CD1 4.02Å; V569-F579 HydrophobicContact CG2-CE1 4.06Å
570L90.5Very high87Confident0 Ų031.6 Ų31.60%017%0.168CC..EExtended strand (participates in β ladder)trans-118.7142.8-179.5-69.7148.4000109.7V522 L527 I554 R559 L560 V568 L577 I578 C580V522-L570 HydrophobicContact CG2-CD2 3.62Å; L527-L570 HydrophobicContact CD1-CD1 4.38Å; L527-L570 HydrophobicContact CD2-CD1 4.12Å; L527-L570 HydrophobicContact CD2-CD2 4.23Å; I554-L570 HydrophobicContact CD1-CD1 3.75Å; I554-L570 HydrophobicContact CG1-CD1 4.08Å; I554-L570 HydrophobicContact CG2-CB 4.26Å; I554-L570 HydrophobicContact CG2-CD1 3.96Å; I554-L570 HydrophobicContact CG2-CD2 4.34Å; I554-L570 HydrophobicContact CG2-CG 4.41Å; R559-L570 CarbonylContact O-C 3.53Å; R559-L570 VanDerWaalsContact O-CA 3.29Å; R559-L570 WeakPolarHBondContact O-CA 3.27Å; L560-L570 HydrophobicContact CD2-CD2 3.43Å; L560-L570 VanDerWaalsContact CD2-CD2 3.43Å; L560-L570 HydrophobicContact CD2-CG 4.08Å; L560-L570 HydrophobicContact CG-CD2 3.81Å; V568-L570 HydrophobicContact CG1-CD1 4.02Å; V568-L570 HydrophobicContact CG1-CD2 4.48Å; V568-L570 HydrophobicContact CG1-CG 3.91Å; L570-L577 CarbonylContact O-C 3.44Å; L570-L577 WeakPolarHBondContact O-CA 3.39Å; L570-I578 HydrophobicContact CB-CB 4.3Å; L570-I578 PolarHBondContact N-O 3.21Å; L570-I578 PolarHBondContact O-N 3.27Å; L570-C580 HydrophobicContact CD1-CB 4.47Å
571R86.4Confident86.9Confident47 Ų4736.2 Ų36.218%0.17719%0.191CC..EExtended strand (participates in β ladder)trans-108.6119.1167.9-165.4177.4-53.3-121.1-1.2109.2A558 R559 E561 L577A558-R571 CarbonylContact C-O 3.49Å; A558-R571 VanDerWaalsContact CA-O 3.3Å; A558-R571 WeakPolarHBondContact CA-O 3.35Å; R559-R571 PolarHBondContact N-O 2.82Å; R559-R571 PolarHBondContact O-N 2.73Å; E561-R571 VanDerWaalsContact CD-NE 3.35Å; E561-R571 HydrophobicContact CG-CB 3.89Å; E561-R571 IonicContact OE1-CZ 3.41Å; E561-R571 IonicContact OE1-NE 3.61Å; E561-R571 PolarHBondContact OE1-NE 2.83Å; E561-R571 IonicContact OE1-NH2 3.83Å; E561-R571 IonicContact OE2-CZ 2.59Å; E561-R571 IonicContact OE2-NE 2.8Å; E561-R571 IonicContact OE2-NH2 3.6Å; E561-R571 PolarHBondContact OE2-NH2 2.64Å; R571-L577 HydrophobicContact CB-CD2 3.95Å; R571-L577 HydrophobicContact CG-CD2 4.13Å
572R84.2Confident87.1Confident82 Ų8234 Ų3431%0.30918%0.181SC..  trans-71.1167.3175.9-65.8174.460.2119.8-11.6111.4I554 D574 G575 C576 I578I554-R572 WeakPolarHBondContact O-CG 3.4Å; R572-D574 WeakPolarHBondContact CB-OD1 3.43Å; R572-D574 IonicContact CZ-OD2 3.89Å; R572-D574 VanDerWaalsContact CZ-OD2 3.3Å; R572-D574 IonicContact NE-OD1 3.38Å; R572-D574 PolarHBondContact NE-OD1 2.83Å; R572-D574 IonicContact NE-OD2 3.4Å; R572-D574 PolarHBondContact NE-OD2 2.77Å; R572-D574 IonicContact NH2-OD2 3.85Å; R572-D574 PolarHBondContact NH2-OD2 3.29Å; R572-D574 PolarHBondContact O-N 3.43Å; R572-G575 PolarHBondContact O-N 2.87Å; R572-C576 PolarHBondContact N-O 2.98Å; R572-I578 VanDerWaalsContact CD-CD1 3.45Å; R572-I578 HydrophobicContact CG-CD1 3.35Å; R572-I578 HydrophobicContact CG-CG1 3.76Å
573S77.7Confident86.8Confident28 Ų2836.8 Ų36.820%0.19620%0.196CC..THydrogen-bonded Turntrans-62.2-24.8174.471.60000114.1T256 S258 D260 K556 G575T256-S573 VanDerWaalsContact CB-O 3.28Å; T256-S573 WeakPolarHBondContact CB-O 3.2Å; T256-S573 WeakPolarHBondContact CG2-O 3.25Å; T256-S573 PolarHBondContact OG1-O 3.47Å; S258-S573 PolarHBondContact OG-O 3.37Å; D260-S573 PolarHBondContact OD2-OG 3.4Å; D260-S573 VanDerWaalsContact OD2-OG 3.14Å; K556-S573 WeakPolarHBondContact O-CB 3.33Å; S573-G575 PolarHBondContact O-N 3.23Å
574D74.2Confident86.6Confident45 Ų4540.1 Ų40.124%0.24122%0.217CC..THydrogen-bonded Turntrans-82.1-0.4174.855.827.7000113R572 C576R572-D574 WeakPolarHBondContact CB-OD1 3.43Å; R572-D574 IonicContact CZ-OD2 3.89Å; R572-D574 VanDerWaalsContact CZ-OD2 3.3Å; R572-D574 IonicContact NE-OD1 3.38Å; R572-D574 PolarHBondContact NE-OD1 2.83Å; R572-D574 IonicContact NE-OD2 3.4Å; R572-D574 PolarHBondContact NE-OD2 2.77Å; R572-D574 IonicContact NH2-OD2 3.85Å; R572-D574 PolarHBondContact NH2-OD2 3.29Å; R572-D574 PolarHBondContact O-N 3.43Å; D574-C576 VanDerWaalsContact C-N 3.31Å; D574-C576 PolarHBondContact O-N 2.97Å; D574-C576 WeakPolarHBondContact OD1-CB 3.49Å; D574-C576 PolarHBondContact OD1-N 2.96Å
575G74.4Confident86.5Confident21 Ų2143.2 Ų43.222%0.21623%0.23CC..SBendtrans84.8-5.217900000114.6R572 S573R572-G575 PolarHBondContact O-N 2.87Å; S573-G575 PolarHBondContact O-N 3.23Å
576C79.6Confident86.6Confident74 Ų7442.9 Ų42.950%0.523%0.227SC..  trans-69.1139.9175.4-71.60000111.5R572 D574R572-C576 PolarHBondContact N-O 2.98Å; D574-C576 VanDerWaalsContact C-N 3.31Å; D574-C576 PolarHBondContact O-N 2.97Å; D574-C576 WeakPolarHBondContact OD1-CB 3.49Å; D574-C576 PolarHBondContact OD1-N 2.96Å
577L83Confident86.7Confident39 Ų3942.9 Ų42.920%0.20422%0.223CC..EExtended strand (participates in β ladder)trans-85.2127.5171-69.5178.8000110.7T302 E561 V569 L570 R571 F579T302-L577 WeakPolarHBondContact OG1-CD1 3.36Å; E561-L577 HydrophobicContact CG-CD2 4.3Å; V569-L577 HydrophobicContact CG1-CD2 4.2Å; L570-L577 CarbonylContact O-C 3.44Å; L570-L577 WeakPolarHBondContact O-CA 3.39Å; R571-L577 HydrophobicContact CB-CD2 3.95Å; R571-L577 HydrophobicContact CG-CD2 4.13Å; L577-F579 HydrophobicContact CB-CE1 4.5Å; L577-F579 HydrophobicContact CB-CE2 3.93Å; L577-F579 HydrophobicContact CB-CZ 3.64Å; L577-F579 HydrophobicContact CD1-CZ 4.12Å
578I86.3Confident86.7Confident40 Ų4042.2 Ų42.221%0.20523%0.227CC..EExtended strand (participates in β ladder)trans-105.7138.6169.9-62.2172.5000108.7I554 L570 R572I554-I578 HydrophobicContact CB-CD1 4.4Å; I554-I578 HydrophobicContact CG2-CD1 4.02Å; L570-I578 HydrophobicContact CB-CB 4.3Å; L570-I578 PolarHBondContact N-O 3.21Å; L570-I578 PolarHBondContact O-N 3.27Å; R572-I578 VanDerWaalsContact CD-CD1 3.45Å; R572-I578 HydrophobicContact CG-CD1 3.35Å; R572-I578 HydrophobicContact CG-CG1 3.76Å
579F86.1Confident86.8Confident85 Ų8542.2 Ų42.237%0.37323%0.227SC..EExtended strand (participates in β ladder)trans-111.6121.4172.6-53.1-79.2000108.8R304 V568 V569 L577R304-F579 HydrophobicContact CB-CE1 4.29Å; R304-F579 HydrophobicContact CG-CE1 3.85Å; R304-F579 HydrophobicContact CG-CZ 4.25Å; R304-F579 VanDerWaalsContact CZ-CE1 3.49Å; R304-F579 VanDerWaalsContact NH1-CD1 3.29Å; R304-F579 VanDerWaalsContact NH1-CG 3.26Å; V568-F579 WeakPolarHBondContact O-CA 3.38Å; V569-F579 HydrophobicContact CB-CE1 4.41Å; V569-F579 HydrophobicContact CG1-CD1 4.2Å; V569-F579 HydrophobicContact CG1-CE1 3.68Å; V569-F579 HydrophobicContact CG2-CD1 4.02Å; V569-F579 HydrophobicContact CG2-CE1 4.06Å; L577-F579 HydrophobicContact CB-CE1 4.5Å; L577-F579 HydrophobicContact CB-CE2 3.93Å; L577-F579 HydrophobicContact CB-CZ 3.64Å; L577-F579 HydrophobicContact CD1-CZ 4.12Å
580C88.7Confident86.9Confident14 Ų1442 Ų4210%0.09523%0.225CC..EExtended strand (participates in β ladder)trans-123.9136.5-178.9172.50000109.9L527 K550 V568 L570L527-C580 HydrophobicContact CD1-CB 4.49Å; K550-C580 PolarHBondContact NZ-SG 2.91Å; V568-C580 HydrophobicContact CB-CB 4.36Å; V568-C580 WeakPolarHBondContact CB-O 3.48Å; V568-C580 PolarHBondContact N-O 2.92Å; V568-C580 PolarHBondContact O-N 3.36Å; L570-C580 HydrophobicContact CD1-CB 4.47Å
581M89.2Confident87Confident101 Ų10146.2 Ų46.250%0.49825%0.247SC..EExtended strand (participates in β ladder)trans-95.8125.7170.8-62.5-60.9-65.100109.9K550 S566 Q567K550-M581 PolarHBondContact NZ-O 3.05Å; S566-M581 CarbonylContact O-C 3.52Å; S566-M581 WeakPolarHBondContact O-CA 3.41Å; S566-M581 VanDerWaalsContact OG-CE 3.28Å; S566-M581 WeakPolarHBondContact OG-CE 3.33Å; Q567-M581 HydrophobicContact CB-SD 4.14Å; Q567-M581 HydrophobicContact CG-CE 3.88Å; Q567-M581 HydrophobicContact CG-SD 3.63Å
582L91.3Very high87.4Confident12 Ų1246 Ų466%0.06325%0.248CC..PPolyproline II helixtrans-81165.8165.8-63.2-179.9000110.2L520 L527 L529 K550 F563 S566 V568 P584 F587L520-L582 HydrophobicContact CD1-CD1 3.93Å; L520-L582 HydrophobicContact CD2-CD1 4.28Å; L527-L582 HydrophobicContact CD1-CD2 4.04Å; L529-L582 HydrophobicContact CD1-CD1 4.13Å; L529-L582 HydrophobicContact CD2-CD1 4.24Å; K550-L582 HydrophobicContact CD-CD2 4.23Å; F563-L582 HydrophobicContact CD2-CD1 4.5Å; F563-L582 HydrophobicContact CE2-CD1 3.59Å; F563-L582 HydrophobicContact CZ-CD1 3.9Å; S566-L582 PolarHBondContact O-N 3.16Å; V568-L582 HydrophobicContact CG2-CD1 3.67Å; V568-L582 HydrophobicContact CG2-CD2 4.35Å; V568-L582 HydrophobicContact CG2-CG 3.65Å; L582-P584 WeakPolarHBondContact O-CD 3.16Å; L582-F587 HydrophobicContact CB-CE2 4.36Å
583N85.7Confident87.8Confident60 Ų6042.3 Ų42.332%0.32124%0.235SC..PPolyproline II helixtrans-60.7122.3175.6-174.7-14.6000109.7F585 S586N583-F585 PolarHBondContact O-N 2.79Å; N583-F585 WeakPolarHBondContact OD1-CB 3.38Å; N583-F585 WeakPolarHBondContact OD1-CD2 3.02Å; N583-F585 WeakPolarHBondContact OD1-CG 3.28Å; N583-F585 PolarHBondContact OD1-N 3.46Å; N583-S586 PolarHBondContact O-OG 2.84Å
584P89.9Confident88.4Confident70 Ų7046.3 Ų46.346%0.45525%0.25SS..THydrogen-bonded Turntrans-67.6-18.6-178.528-36.4000113.4L582 S586 F587 A588L582-P584 WeakPolarHBondContact O-CD 3.16Å; P584-S586 VanDerWaalsContact C-N 3.34Å; P584-S586 PolarHBondContact O-N 2.81Å; P584-F587 WeakPolarHBondContact O-CB 3.39Å; P584-F587 PolarHBondContact O-N 3.28Å; P584-A588 PolarHBondContact O-N 2.81Å; P584-A588 VanDerWaalsContact O-N 3.11Å
585F92Very high89.3Confident90 Ų9048.9 Ų48.940%0.39526%0.264SS..Hα-helixtrans-68.5-28.8-173.8-59.2-53.9000114.2N583 F587 A588 L589 L604 I608 L613N583-F585 PolarHBondContact O-N 2.79Å; N583-F585 WeakPolarHBondContact OD1-CB 3.38Å; N583-F585 WeakPolarHBondContact OD1-CD2 3.02Å; N583-F585 WeakPolarHBondContact OD1-CG 3.28Å; N583-F585 PolarHBondContact OD1-N 3.46Å; F585-F587 VanDerWaalsContact C-N 3.26Å; F585-F587 PolarHBondContact O-N 3Å; F585-A588 PolarHBondContact O-N 2.78Å; F585-L589 VanDerWaalsContact O-CB 3.26Å; F585-L589 WeakPolarHBondContact O-CB 3.39Å; F585-L589 PolarHBondContact O-N 2.93Å; F585-L604 HydrophobicContact CD1-CD1 4.06Å; F585-I608 HydrophobicContact CB-CD1 3.25Å; F585-I608 HydrophobicContact CB-CG1 4.34Å; F585-I608 HydrophobicContact CD1-CD1 3.86Å; F585-I608 HydrophobicContact CD1-CG1 4.37Å; F585-I608 HydrophobicContact CD2-CD1 3.61Å; F585-I608 HydrophobicContact CD2-CG1 3.77Å; F585-I608 HydrophobicContact CD2-CG2 4.32Å; F585-I608 HydrophobicContact CE2-CD1 4.46Å; F585-I608 HydrophobicContact CE2-CG1 4.2Å; F585-I608 HydrophobicContact CG-CD1 3.3Å; F585-I608 HydrophobicContact CG-CG1 3.92Å; F585-L613 HydrophobicContact CB-CD1 4.4Å
586S91.7Very high90.2Very high2 Ų256.1 Ų56.11%0.01429%0.285CS..Hα-helixtrans-64-34.5174.256.10000111.7N583 P584 H590N583-S586 PolarHBondContact O-OG 2.84Å; P584-S586 VanDerWaalsContact C-N 3.34Å; P584-S586 PolarHBondContact O-N 2.81Å; S586-H590 PolarHBondContact O-CD2 3.45Å; S586-H590 VanDerWaalsContact O-CD2 3.32Å; S586-H590 PolarHBondContact O-N 2.62Å
587F91.8Very high91Very high26 Ų2655.5 Ų55.511%0.11428%0.275CS..Hα-helixtrans-73.2-43.9176-59.5-90.8000111.7T516 M518 F563 G565 L582 P584 F585 L589 H590 N591T516-F587 HydrophobicContact CG2-CD1 4.14Å; M518-F587 HydrophobicContact CE-CD1 3.35Å; M518-F587 HydrophobicContact CE-CD2 4.06Å; M518-F587 HydrophobicContact CE-CE1 3.18Å; M518-F587 HydrophobicContact CE-CE2 3.91Å; M518-F587 HydrophobicContact CE-CG 3.77Å; M518-F587 HydrophobicContact CE-CZ 3.46Å; M518-F587 VanDerWaalsContact CE-CZ 3.46Å; F563-F587 HydrophobicContact CE2-CE1 4.17Å; F563-F587 AromaticContact CE2-CZ 3.66Å; F563-F587 HydrophobicContact CE2-CZ 3.66Å; F563-F587 HydrophobicContact CZ-CE1 4.16Å; F563-F587 AromaticContact CZ-CZ 3.76Å; F563-F587 HydrophobicContact CZ-CZ 3.76Å; G565-F587 WeakPolarHBondContact O-CE1 3.47Å; G565-F587 WeakPolarHBondContact O-CZ 3.39Å; L582-F587 HydrophobicContact CB-CE2 4.36Å; P584-F587 WeakPolarHBondContact O-CB 3.39Å; P584-F587 PolarHBondContact O-N 3.28Å; F585-F587 VanDerWaalsContact C-N 3.26Å; F585-F587 PolarHBondContact O-N 3Å; F587-L589 VanDerWaalsContact C-N 3.26Å; F587-L589 PolarHBondContact O-N 2.53Å; F587-H590 PolarHBondContact O-N 2.59Å; F587-N591 PolarHBondContact O-N 2.81Å
588A92.9Very high91.6Very high38 Ų3855 Ų5531%0.31427%0.27SS..Hα-helixtrans-59.5-41.517400000111.1P584 F585 N591 H592 L604P584-A588 PolarHBondContact O-N 2.81Å; P584-A588 VanDerWaalsContact O-N 3.11Å; F585-A588 PolarHBondContact O-N 2.78Å; A588-N591 PolarHBondContact O-N 2.87Å; A588-H592 PolarHBondContact O-CD2 3.11Å; A588-H592 PolarHBondContact O-N 2.81Å; A588-L604 HydrophobicContact CB-CD2 4.04Å
589L95Very high92.1Very high1 Ų159.8 Ų59.81%0.00529%0.292CS..Hα-helixtrans-60.7-50.6175.7-17566000111.4F585 F587 N591 H592 L593 L604 L613 T616 V617F585-L589 VanDerWaalsContact O-CB 3.26Å; F585-L589 WeakPolarHBondContact O-CB 3.39Å; F585-L589 PolarHBondContact O-N 2.93Å; F587-L589 VanDerWaalsContact C-N 3.26Å; F587-L589 PolarHBondContact O-N 2.53Å; L589-N591 VanDerWaalsContact C-N 3.26Å; L589-N591 PolarHBondContact O-N 2.89Å; L589-H592 PolarHBondContact O-N 3.19Å; L589-H592 VanDerWaalsContact O-N 3.09Å; L589-L593 HydrophobicContact CD2-CD1 4.49Å; L589-L593 HydrophobicContact CG-CD1 3.99Å; L589-L593 HydrophobicContact CG-CG 4.35Å; L589-L593 WeakPolarHBondContact O-CG 3.49Å; L589-L593 PolarHBondContact O-N 3.34Å; L589-L604 HydrophobicContact CB-CD2 3.97Å; L589-L604 HydrophobicContact CD1-CD2 4.27Å; L589-L613 HydrophobicContact CD2-CB 4.04Å; L589-L613 HydrophobicContact CD2-CD2 3.92Å; L589-T616 HydrophobicContact CD2-CG2 4.25Å; L589-V617 HydrophobicContact CD1-CG2 3.64Å; L589-V617 HydrophobicContact CD2-CG2 3.9Å; L589-V617 HydrophobicContact CG-CG2 4.17Å
590H94Very high92.6Very high8 Ų860.4 Ų60.44%0.03729%0.294CS..Hα-helixtrans-58-37.8176.9-94.3-72000112.8T516 M518 C531 Q532 S586 F587 L593 Q594T516-H590 HydrophobicContact CG2-CB 3.78Å; M518-H590 WeakPolarHBondContact CG-NE2 3.46Å; C531-H590 PolarHBondContact O-CE1 2.74Å; C531-H590 PolarHBondContact O-NE2 3.4Å; Q532-H590 PolarHBondContact OE1-CE1 2.94Å; S586-H590 PolarHBondContact O-CD2 3.45Å; S586-H590 VanDerWaalsContact O-CD2 3.32Å; S586-H590 PolarHBondContact O-N 2.62Å; F587-H590 PolarHBondContact O-N 2.59Å; H590-L593 PolarHBondContact O-N 2.88Å; H590-Q594 WeakPolarHBondContact O-CB 3.24Å; H590-Q594 VanDerWaalsContact O-CG 3.28Å; H590-Q594 WeakPolarHBondContact O-CG 3.33Å; H590-Q594 PolarHBondContact O-N 2.86Å
591N92.4Very high93Very high87 Ų8759.7 Ų59.747%0.46529%0.29SS..Hα-helixtrans-64.8-41.4175.2-167.716.4000112F587 A588 L589 N595F587-N591 PolarHBondContact O-N 2.81Å; A588-N591 PolarHBondContact O-N 2.87Å; L589-N591 VanDerWaalsContact C-N 3.26Å; L589-N591 PolarHBondContact O-N 2.89Å; N591-N595 PolarHBondContact O-N 2.83Å; N591-N595 PolarHBondContact O-ND2 2.59Å; N591-N595 PolarHBondContact OD1-ND2 3.11Å; N591-N595 VanDerWaalsContact OD1-ND2 3.1Å
592H94.5Very high93.3Very high43 Ų4355.8 Ų55.820%0.19927%0.27CS..Hα-helixtrans-65.9-40.3173.9-68.4-53.3000112.4A588 L589 N595 R596 E597 S601A588-H592 PolarHBondContact O-CD2 3.11Å; A588-H592 PolarHBondContact O-N 2.81Å; L589-H592 PolarHBondContact O-N 3.19Å; L589-H592 VanDerWaalsContact O-N 3.09Å; H592-N595 CarbonylContact O-C 3.57Å; H592-N595 PolarHBondContact O-N 3.11Å; H592-R596 PolarHBondContact O-N 3.04Å; H592-R596 VanDerWaalsContact O-N 3.1Å; H592-E597 HydrophobicContact CB-CB 4.25Å; H592-E597 IonicContact CE1-OE2 2.95Å; H592-E597 IonicContact CG-OE2 2.68Å; H592-E597 IonicContact ND1-OE2 3.8Å; H592-E597 PolarHBondContact ND1-OE2 3.34Å; H592-E597 PolarHBondContact O-N 3.23Å; H592-S601 VanDerWaalsContact CB-OG 3.22Å; H592-S601 WeakPolarHBondContact CB-OG 3.44Å
593L94.1Very high93.6Very high5 Ų559.7 Ų59.73%0.02629%0.288CS..Hα-helixtrans-64.7-45.3178.3-70.7175.5000112L589 H590 N595 R596 W598 T616 V617 E620L589-L593 HydrophobicContact CD2-CD1 4.49Å; L589-L593 HydrophobicContact CG-CD1 3.99Å; L589-L593 HydrophobicContact CG-CG 4.35Å; L589-L593 WeakPolarHBondContact O-CG 3.49Å; L589-L593 PolarHBondContact O-N 3.34Å; H590-L593 PolarHBondContact O-N 2.88Å; L593-N595 PolarHBondContact O-N 2.91Å; L593-R596 PolarHBondContact O-N 2.9Å; L593-W598 HydrophobicContact CD2-CE3 3.92Å; L593-W598 HydrophobicContact CD2-CH2 4.33Å; L593-W598 HydrophobicContact CD2-CZ3 3.47Å; L593-W598 VanDerWaalsContact CD2-CZ3 3.47Å; L593-T616 HydrophobicContact CD1-CG2 4.22Å; L593-V617 HydrophobicContact CD2-CG1 4.34Å; L593-V617 HydrophobicContact CD2-CG2 4.33Å; L593-E620 HydrophobicContact CB-CG 4.19Å; L593-E620 HydrophobicContact CD1-CB 4.13Å; L593-E620 HydrophobicContact CD1-CG 4.18Å; L593-E620 HydrophobicContact CD2-CB 4.22Å; L593-E620 HydrophobicContact CD2-CG 4.09Å; L593-E620 HydrophobicContact CG-CG 4.39Å
594Q89.7Confident94Very high111 Ų11157.7 Ų57.752%0.51928%0.278SS..Hα-helixtrans-58.4-37.5175.1-76178.23.500112.1H590 R596H590-Q594 WeakPolarHBondContact O-CB 3.24Å; H590-Q594 VanDerWaalsContact O-CG 3.28Å; H590-Q594 WeakPolarHBondContact O-CG 3.33Å; H590-Q594 PolarHBondContact O-N 2.86Å; Q594-R596 VanDerWaalsContact C-N 3.28Å; Q594-R596 PolarHBondContact O-N 2.67Å
595N92.5Very high94.3Very high99 Ų9954.3 Ų54.353%0.52926%0.256SS..THydrogen-bonded Turntrans-83.72.6176.9-66.9-47.8000113.8N591 H592 L593 E597N591-N595 PolarHBondContact O-N 2.83Å; N591-N595 PolarHBondContact O-ND2 2.59Å; N591-N595 PolarHBondContact OD1-ND2 3.11Å; N591-N595 VanDerWaalsContact OD1-ND2 3.1Å; H592-N595 CarbonylContact O-C 3.57Å; H592-N595 PolarHBondContact O-N 3.11Å; L593-N595 PolarHBondContact O-N 2.91Å; N595-E597 HydrophobicContact CB-CG 3.87Å; N595-E597 PolarHBondContact O-N 2.85Å
596R93.9Very high94.5Very high173 Ų17355.6 Ų55.665%0.65326%0.258SS*.THydrogen-bonded Turntrans56.331.2-175.7-56-174.9175.4-156.1-3.2114H592 L593 Q594 W598H592-R596 PolarHBondContact O-N 3.04Å; H592-R596 VanDerWaalsContact O-N 3.1Å; L593-R596 PolarHBondContact O-N 2.9Å; Q594-R596 VanDerWaalsContact C-N 3.28Å; Q594-R596 PolarHBondContact O-N 2.67Å; R596-W598 VanDerWaalsContact C-N 3.31Å; R596-W598 VanDerWaalsContact O-CD1 3.31Å; R596-W598 PolarHBondContact O-N 2.92Å; R596-W598 VanDerWaalsContact O-N 3.1Å
597E96.4Very high94.7Very high62 Ų6263.1 Ų63.129%0.2929%0.293SS..  trans-86.967.9178-60.1-174.5137.100110.7H592 N595 E599 K600 S601H592-E597 HydrophobicContact CB-CB 4.25Å; H592-E597 IonicContact CE1-OE2 2.95Å; H592-E597 IonicContact CG-OE2 2.68Å; H592-E597 IonicContact ND1-OE2 3.8Å; H592-E597 PolarHBondContact ND1-OE2 3.34Å; H592-E597 PolarHBondContact O-N 3.23Å; N595-E597 HydrophobicContact CB-CG 3.87Å; N595-E597 PolarHBondContact O-N 2.85Å; E597-E599 VanDerWaalsContact C-N 3.34Å; E597-E599 PolarHBondContact O-N 3.14Å; E597-K600 HydrophobicContact CB-CB 4.26Å; E597-K600 HydrophobicContact CB-CD 4.22Å; E597-K600 HydrophobicContact CB-CG 4.42Å; E597-K600 PolarHBondContact O-N 3.49Å; E597-K600 IonicContact OE1-NZ 3.13Å; E597-K600 PolarHBondContact OE1-NZ 2.8Å; E597-K600 WeakPolarHBondContact OE2-CD 3.44Å; E597-K600 IonicContact OE2-NZ 3.65Å; E597-K600 PolarHBondContact OE2-NZ 2.91Å; E597-S601 PolarHBondContact O-N 2.87Å; E597-S601 PolarHBondContact O-OG 3.36Å
598W96.1Very high94.8Very high29 Ų2963.9 Ų63.911%0.1130%0.298CS..Hα-helixtrans-58.4-42.1-173-56.4111.6000113.4L593 R596 K600 S601 L602 E620 A621 S624 E626 V629L593-W598 HydrophobicContact CD2-CE3 3.92Å; L593-W598 HydrophobicContact CD2-CH2 4.33Å; L593-W598 HydrophobicContact CD2-CZ3 3.47Å; L593-W598 VanDerWaalsContact CD2-CZ3 3.47Å; R596-W598 VanDerWaalsContact C-N 3.31Å; R596-W598 VanDerWaalsContact O-CD1 3.31Å; R596-W598 PolarHBondContact O-N 2.92Å; R596-W598 VanDerWaalsContact O-N 3.1Å; W598-K600 PolarHBondContact O-N 2.81Å; W598-S601 WeakPolarHBondContact O-CB 3.34Å; W598-S601 PolarHBondContact O-N 2.8Å; W598-L602 VanDerWaalsContact O-CG 3.27Å; W598-L602 WeakPolarHBondContact O-CG 3.3Å; W598-L602 PolarHBondContact O-N 3.3Å; W598-E620 HydrophobicContact CH2-CG 4.19Å; W598-E620 HydrophobicContact CZ3-CG 4.43Å; W598-A621 HydrophobicContact CE3-CB 4.49Å; W598-A621 HydrophobicContact CH2-CB 4.42Å; W598-A621 HydrophobicContact CZ3-CB 3.98Å; W598-S624 WeakPolarHBondContact CH2-OG 3.32Å; W598-S624 WeakPolarHBondContact CZ2-OG 2.87Å; W598-E626 HydrophobicContact CZ2-CB 4.33Å; W598-E626 HydrophobicContact CZ2-CG 3.82Å; W598-V629 HydrophobicContact CB-CG2 3.94Å; W598-V629 HydrophobicContact CE3-CG1 4.06Å; W598-V629 HydrophobicContact CG-CG2 4.15Å
599E96.2Very high94.8Very high139 Ų13968 Ų6865%0.6532%0.315SS*.Hα-helixtrans-66.3-39.3-177.5-170.9164.1-170.700112.3E597 L602 Q603E597-E599 VanDerWaalsContact C-N 3.34Å; E597-E599 PolarHBondContact O-N 3.14Å; E599-L602 PolarHBondContact O-N 2.9Å; E599-Q603 WeakPolarHBondContact O-CB 3.22Å; E599-Q603 VanDerWaalsContact O-CG 3.26Å; E599-Q603 WeakPolarHBondContact O-CG 3.36Å; E599-Q603 PolarHBondContact O-N 2.91Å
600K96.5Very high94.7Very high98 Ų9870.2 Ų70.243%0.42633%0.326SS..Hα-helixtrans-66.5-39.7173.6-63.5-174.8-167.81660111.2E597 W598 L602 Q603 L604E597-K600 HydrophobicContact CB-CB 4.26Å; E597-K600 HydrophobicContact CB-CD 4.22Å; E597-K600 HydrophobicContact CB-CG 4.42Å; E597-K600 PolarHBondContact O-N 3.49Å; E597-K600 IonicContact OE1-NZ 3.13Å; E597-K600 PolarHBondContact OE1-NZ 2.8Å; E597-K600 WeakPolarHBondContact OE2-CD 3.44Å; E597-K600 IonicContact OE2-NZ 3.65Å; E597-K600 PolarHBondContact OE2-NZ 2.91Å; W598-K600 PolarHBondContact O-N 2.81Å; K600-L602 VanDerWaalsContact C-N 3.35Å; K600-L602 PolarHBondContact O-N 3.14Å; K600-Q603 PolarHBondContact O-N 3.11Å; K600-L604 WeakPolarHBondContact O-CB 3.07Å; K600-L604 PolarHBondContact O-N 2.9Å
601S96.4Very high94.7Very high0 Ų074.7 Ų74.70%035%0.347CS..Hα-helixtrans-59.3-45.7174.9-54.10000111.4H592 E597 W598 L604 C605H592-S601 VanDerWaalsContact CB-OG 3.22Å; H592-S601 WeakPolarHBondContact CB-OG 3.44Å; E597-S601 PolarHBondContact O-N 2.87Å; E597-S601 PolarHBondContact O-OG 3.36Å; W598-S601 WeakPolarHBondContact O-CB 3.34Å; W598-S601 PolarHBondContact O-N 2.8Å; S601-L604 PolarHBondContact O-N 3.28Å; S601-C605 PolarHBondContact O-N 2.89Å; S601-C605 PolarHBondContact O-SG 3.28Å
602L96.9Very high94.8Very high18 Ų1870.8 Ų70.89%0.09433%0.327CS..Hα-helixtrans-66-41.2176.3-68.7174.3000112.2W598 E599 K600 L604 C605 R606 W614 V617 V629 Y632W598-L602 VanDerWaalsContact O-CG 3.27Å; W598-L602 WeakPolarHBondContact O-CG 3.3Å; W598-L602 PolarHBondContact O-N 3.3Å; E599-L602 PolarHBondContact O-N 2.9Å; K600-L602 VanDerWaalsContact C-N 3.35Å; K600-L602 PolarHBondContact O-N 3.14Å; L602-L604 VanDerWaalsContact C-N 3.33Å; L602-C605 PolarHBondContact O-N 3.11Å; L602-R606 VanDerWaalsContact O-CG 3.29Å; L602-R606 WeakPolarHBondContact O-CG 3.06Å; L602-R606 PolarHBondContact O-N 2.86Å; L602-W614 HydrophobicContact CD2-CE3 4.49Å; L602-W614 HydrophobicContact CD2-CH2 4.14Å; L602-W614 HydrophobicContact CD2-CZ3 3.52Å; L602-V617 HydrophobicContact CD2-CG1 4.48Å; L602-V629 HydrophobicContact CD1-CG1 4.31Å; L602-V629 HydrophobicContact CD2-CG1 4.16Å; L602-V629 HydrophobicContact CG-CG1 4.36Å; L602-Y632 HydrophobicContact CD2-CD1 3.76Å; L602-Y632 HydrophobicContact CD2-CE1 4.02Å
603Q96.5Very high94.9Very high94 Ų9468.9 Ų68.944%0.43932%0.318SS..Hα-helixtrans-60.6-43.9174.9-75.2173.95.100111.3E599 K600 R606 Q607E599-Q603 WeakPolarHBondContact O-CB 3.22Å; E599-Q603 VanDerWaalsContact O-CG 3.26Å; E599-Q603 WeakPolarHBondContact O-CG 3.36Å; E599-Q603 PolarHBondContact O-N 2.91Å; K600-Q603 PolarHBondContact O-N 3.11Å; Q603-R606 PolarHBondContact O-N 3.06Å; Q603-Q607 WeakPolarHBondContact O-CG 3.44Å; Q603-Q607 PolarHBondContact O-N 2.87Å
604L95.7Very high95Very high18 Ų1869 Ų699%0.09432%0.318CS..Hα-helixtrans-62.1-46.1176.4-174.364.7000111.3F585 A588 L589 K600 S601 L602 R606 Q607 I608F585-L604 HydrophobicContact CD1-CD1 4.06Å; A588-L604 HydrophobicContact CB-CD2 4.04Å; L589-L604 HydrophobicContact CB-CD2 3.97Å; L589-L604 HydrophobicContact CD1-CD2 4.27Å; K600-L604 WeakPolarHBondContact O-CB 3.07Å; K600-L604 PolarHBondContact O-N 2.9Å; S601-L604 PolarHBondContact O-N 3.28Å; L602-L604 VanDerWaalsContact C-N 3.33Å; L604-R606 VanDerWaalsContact C-N 3.33Å; L604-R606 PolarHBondContact O-N 2.84Å; L604-Q607 PolarHBondContact O-N 3.47Å; L604-I608 HydrophobicContact CD1-CD1 3.71Å; L604-I608 HydrophobicContact CD1-CG1 4.42Å; L604-I608 HydrophobicContact CG-CD1 3.69Å; L604-I608 WeakPolarHBondContact O-CD1 3.42Å; L604-I608 WeakPolarHBondContact O-CG1 3.5Å; L604-I608 PolarHBondContact O-N 3.28Å; L604-I608 VanDerWaalsContact O-N 3.09Å
605C95.9Very high95.3Very high0 Ų063.7 Ų63.70%029%0.294CS..Hα-helixtrans-63-37.1177.7-64.80000112.4S601 L602 N609 W614 V617S601-C605 PolarHBondContact O-N 2.89Å; S601-C605 PolarHBondContact O-SG 3.28Å; L602-C605 PolarHBondContact O-N 3.11Å; C605-N609 WeakPolarHBondContact O-CA 3.25Å; C605-N609 PolarHBondContact O-N 2.79Å; C605-W614 HydrophobicContact CB-CD2 3.66Å; C605-W614 VanDerWaalsContact CB-CE2 3.46Å; C605-W614 HydrophobicContact CB-CE3 3.94Å; C605-W614 HydrophobicContact CB-CG 4.26Å; C605-W614 HydrophobicContact CB-CH2 3.82Å; C605-W614 HydrophobicContact CB-CZ2 3.56Å; C605-W614 HydrophobicContact CB-CZ3 4.02Å; C605-W614 PolarHBondContact O-NE1 3.13Å; C605-V617 VanDerWaalsContact SG-CG2 3.59Å
606R96.2Very high95.4Very high117 Ų11759 Ų5944%0.44227%0.269SS..Hα-helixtrans-65.2-38.5174.1-72174.2-166.3127.50.8112.7L602 Q603 L604 W614 Y632L602-R606 VanDerWaalsContact O-CG 3.29Å; L602-R606 WeakPolarHBondContact O-CG 3.06Å; L602-R606 PolarHBondContact O-N 2.86Å; Q603-R606 PolarHBondContact O-N 3.06Å; L604-R606 VanDerWaalsContact C-N 3.33Å; L604-R606 PolarHBondContact O-N 2.84Å; R606-W614 HydrophobicContact CB-CZ2 4.4Å; R606-W614 HydrophobicContact CG-CH2 3.81Å; R606-W614 HydrophobicContact CG-CZ2 3.69Å; R606-Y632 PolarHBondContact NE-OH 3.4Å; R606-Y632 VanDerWaalsContact NE-OH 3.15Å; R606-Y632 PolarHBondContact NH2-OH 3.27Å
607Q94.8Very high95.5Very high159 Ų15950.8 Ų50.874%0.74324%0.238SC*.Hα-helixtrans-69-40.9-179.4-75.7176.8-800112.2Q603 L604Q603-Q607 WeakPolarHBondContact O-CG 3.44Å; Q603-Q607 PolarHBondContact O-N 2.87Å; L604-Q607 PolarHBondContact O-N 3.47Å
608I93.5Very high95.4Very high43 Ų4347.8 Ų47.822%0.22122%0.224CC..Hα-helixtrans-85-35.3-176.6-57.9158.3000111F585 L604 D610 L613F585-I608 HydrophobicContact CB-CD1 3.25Å; F585-I608 HydrophobicContact CB-CG1 4.34Å; F585-I608 HydrophobicContact CD1-CD1 3.86Å; F585-I608 HydrophobicContact CD1-CG1 4.37Å; F585-I608 HydrophobicContact CD2-CD1 3.61Å; F585-I608 HydrophobicContact CD2-CG1 3.77Å; F585-I608 HydrophobicContact CD2-CG2 4.32Å; F585-I608 HydrophobicContact CE2-CD1 4.46Å; F585-I608 HydrophobicContact CE2-CG1 4.2Å; F585-I608 HydrophobicContact CG-CD1 3.3Å; F585-I608 HydrophobicContact CG-CG1 3.92Å; L604-I608 HydrophobicContact CD1-CD1 3.71Å; L604-I608 HydrophobicContact CD1-CG1 4.42Å; L604-I608 HydrophobicContact CG-CD1 3.69Å; L604-I608 WeakPolarHBondContact O-CD1 3.42Å; L604-I608 WeakPolarHBondContact O-CG1 3.5Å; L604-I608 PolarHBondContact O-N 3.28Å; L604-I608 VanDerWaalsContact O-N 3.09Å; I608-D610 HydrophobicContact CG2-CB 3.9Å; I608-L613 HydrophobicContact CB-CD1 4.18Å; I608-L613 HydrophobicContact CD1-CD1 3.54Å; I608-L613 HydrophobicContact CG2-CD1 3.88Å
609N93.3Very high95.3Very high124 Ų12446.5 Ų46.566%0.66322%0.219SC*.  trans54.649.7-178.5-164.945.7000113.5C605C605-N609 WeakPolarHBondContact O-CA 3.25Å; C605-N609 PolarHBondContact O-N 2.79Å
610D93.4Very high95.2Very high48 Ų4842.3 Ų42.326%0.25720%0.199SC..  trans-108.6128.2177.8-176.2-71.5000110.5I608 A612 L613 W614I608-D610 HydrophobicContact CG2-CB 3.9Å; D610-A612 VanDerWaalsContact C-N 3.28Å; D610-A612 PolarHBondContact O-N 3.27Å; D610-A612 WeakPolarHBondContact OD1-CA 3.22Å; D610-A612 WeakPolarHBondContact OD1-CB 3.36Å; D610-A612 PolarHBondContact OD1-N 3.25Å; D610-L613 HydrophobicContact CB-CB 4.4Å; D610-L613 HydrophobicContact CB-CD1 4.09Å; D610-L613 HydrophobicContact CB-CG 4.04Å; D610-L613 PolarHBondContact O-N 2.84Å; D610-L613 PolarHBondContact OD1-N 2.49Å; D610-W614 PolarHBondContact O-N 3.13Å
611E94.8Very high95.1Very high102 Ų10237.6 Ų37.648%0.47718%0.179SC..Hα-helixtrans-59.9-37.1-176.5-173.1179.9177.800112.3K545 W614 A615 I637K545-E611 WeakPolarHBondContact CD-OE1 3.23Å; K545-E611 VanDerWaalsContact CE-OE1 3.29Å; K545-E611 WeakPolarHBondContact CE-OE1 3.46Å; K545-E611 IonicContact NZ-OE1 3.31Å; E611-W614 PolarHBondContact O-N 3.04Å; E611-A615 WeakPolarHBondContact O-CB 3.29Å; E611-A615 PolarHBondContact O-N 3.22Å; E611-I637 HydrophobicContact CG-CB 4.44Å; E611-I637 HydrophobicContact CG-CG2 4.04Å
612A94.2Very high94.9Very high5 Ų537.8 Ų37.84%0.04118%0.18CC..Hα-helixtrans-73-32.4-176.800000113.1K545 L548 D610 T616K545-A612 WeakPolarHBondContact O-CA 3.34Å; K545-A612 WeakPolarHBondContact O-CB 3.15Å; L548-A612 HydrophobicContact CD2-CB 3.67Å; L548-A612 HydrophobicContact CG-CB 3.91Å; D610-A612 VanDerWaalsContact C-N 3.28Å; D610-A612 PolarHBondContact O-N 3.27Å; D610-A612 WeakPolarHBondContact OD1-CA 3.22Å; D610-A612 WeakPolarHBondContact OD1-CB 3.36Å; D610-A612 PolarHBondContact OD1-N 3.25Å; A612-T616 WeakPolarHBondContact O-CB 3.46Å; A612-T616 PolarHBondContact O-N 2.87Å; A612-T616 PolarHBondContact O-OG1 3.08Å
613L95.3Very high94.5Very high2 Ų239.6 Ų39.61%0.0119%0.189CC..Hα-helixtrans-66.8-44.3171.3-61-174.9000110.8L548 F585 L589 I608 D610 A615 T616 V617L548-L613 HydrophobicContact CD1-CD2 4.47Å; F585-L613 HydrophobicContact CB-CD1 4.4Å; L589-L613 HydrophobicContact CD2-CB 4.04Å; L589-L613 HydrophobicContact CD2-CD2 3.92Å; I608-L613 HydrophobicContact CB-CD1 4.18Å; I608-L613 HydrophobicContact CD1-CD1 3.54Å; I608-L613 HydrophobicContact CG2-CD1 3.88Å; D610-L613 HydrophobicContact CB-CB 4.4Å; D610-L613 HydrophobicContact CB-CD1 4.09Å; D610-L613 HydrophobicContact CB-CG 4.04Å; D610-L613 PolarHBondContact O-N 2.84Å; D610-L613 PolarHBondContact OD1-N 2.49Å; L613-A615 PolarHBondContact O-N 3.26Å; L613-T616 WeakPolarHBondContact O-CB 3.35Å; L613-T616 PolarHBondContact O-N 2.96Å; L613-V617 WeakPolarHBondContact O-CG2 3.26Å; L613-V617 PolarHBondContact O-N 2.87Å
614W96.3Very high94.2Very high7 Ų736.9 Ų36.93%0.02718%0.181CC..Hα-helixtrans-59.6-45.2174.4-77.7111.9000112.4L602 C605 R606 D610 E611 T616 V617 A618 Y632 C633 V636 I637L602-W614 HydrophobicContact CD2-CE3 4.49Å; L602-W614 HydrophobicContact CD2-CH2 4.14Å; L602-W614 HydrophobicContact CD2-CZ3 3.52Å; C605-W614 HydrophobicContact CB-CD2 3.66Å; C605-W614 VanDerWaalsContact CB-CE2 3.46Å; C605-W614 HydrophobicContact CB-CE3 3.94Å; C605-W614 HydrophobicContact CB-CG 4.26Å; C605-W614 HydrophobicContact CB-CH2 3.82Å; C605-W614 HydrophobicContact CB-CZ2 3.56Å; C605-W614 HydrophobicContact CB-CZ3 4.02Å; C605-W614 PolarHBondContact O-NE1 3.13Å; R606-W614 HydrophobicContact CB-CZ2 4.4Å; R606-W614 HydrophobicContact CG-CH2 3.81Å; R606-W614 HydrophobicContact CG-CZ2 3.69Å; D610-W614 PolarHBondContact O-N 3.13Å; E611-W614 PolarHBondContact O-N 3.04Å; W614-T616 VanDerWaalsContact C-N 3.32Å; W614-T616 PolarHBondContact O-N 3.46Å; W614-V617 PolarHBondContact O-N 3.21Å; W614-A618 WeakPolarHBondContact O-CB 3.39Å; W614-A618 PolarHBondContact O-N 3.09Å; W614-Y632 HydrophobicContact CH2-CD1 4.4Å; W614-Y632 AromaticContact CH2-CE1 3.62Å; W614-Y632 HydrophobicContact CH2-CE1 3.62Å; W614-Y632 AromaticContact CZ3-CD1 3.93Å; W614-Y632 HydrophobicContact CZ3-CD1 3.93Å; W614-Y632 AromaticContact CZ3-CE1 3.61Å; W614-Y632 HydrophobicContact CZ3-CE1 3.61Å; W614-C633 HydrophobicContact CE3-CB 4.14Å; W614-V636 HydrophobicContact CD2-CB 4.17Å; W614-V636 HydrophobicContact CD2-CG1 3.74Å; W614-V636 HydrophobicContact CE3-CB 4.27Å; W614-V636 HydrophobicContact CE3-CG1 4.33Å; W614-V636 HydrophobicContact CE3-CG2 4.34Å; W614-V636 HydrophobicContact CG-CB 4.48Å; W614-V636 HydrophobicContact CG-CG1 3.83Å; W614-V636 HydrophobicContact CH2-CG2 4.43Å; W614-V636 HydrophobicContact CZ2-CG1 4.37Å; W614-V636 HydrophobicContact CZ3-CG2 4.29Å; W614-I637 HydrophobicContact CB-CG2 3.47Å; W614-I637 VanDerWaalsContact CB-CG2 3.47Å; W614-I637 HydrophobicContact CG-CG2 4.48Å
615A95.7Very high93.9Very high0 Ų037 Ų370%019%0.187CC..Hα-helixtrans-63.1-39176.800000111.9L542 K545 T546 E611 L613 A618 V619 I637L542-A615 HydrophobicContact CD1-CB 4.43Å; K545-A615 HydrophobicContact CB-CB 3.9Å; T546-A615 HydrophobicContact CG2-CB 3.76Å; E611-A615 WeakPolarHBondContact O-CB 3.29Å; E611-A615 PolarHBondContact O-N 3.22Å; L613-A615 PolarHBondContact O-N 3.26Å; A615-A618 WeakPolarHBondContact O-CB 3.41Å; A615-A618 PolarHBondContact O-N 2.95Å; A615-V619 WeakPolarHBondContact O-CG2 3.39Å; A615-V619 PolarHBondContact O-N 3.41Å; A615-I637 HydrophobicContact CB-CD1 4.12Å
616T95.5Very high93.7Very high1 Ų140.4 Ų40.41%0.00620%0.203CC..Hα-helixtrans-60.4-47.1175.7-610000111.4C531 Q532 L589 L593 A612 L613 W614 A618 V619 E620C531-T616 HydrophobicContact CB-CG2 4.27Å; C531-T616 WeakPolarHBondContact CB-OG1 3.49Å; Q532-T616 HydrophobicContact CB-CG2 4.22Å; L589-T616 HydrophobicContact CD2-CG2 4.25Å; L593-T616 HydrophobicContact CD1-CG2 4.22Å; A612-T616 WeakPolarHBondContact O-CB 3.46Å; A612-T616 PolarHBondContact O-N 2.87Å; A612-T616 PolarHBondContact O-OG1 3.08Å; L613-T616 WeakPolarHBondContact O-CB 3.35Å; L613-T616 PolarHBondContact O-N 2.96Å; W614-T616 VanDerWaalsContact C-N 3.32Å; W614-T616 PolarHBondContact O-N 3.46Å; T616-A618 VanDerWaalsContact C-N 3.34Å; T616-A618 PolarHBondContact O-N 3.34Å; T616-V619 PolarHBondContact O-N 3.34Å; T616-E620 PolarHBondContact O-N 2.94Å
617V96.3Very high93.3Very high0 Ų035.5 Ų35.50%019%0.185CC..Hα-helixtrans-64-40.5175.5-178.80000111.4L589 L593 L602 C605 L613 W614 V619 E620 A621 V629L589-V617 HydrophobicContact CD1-CG2 3.64Å; L589-V617 HydrophobicContact CD2-CG2 3.9Å; L589-V617 HydrophobicContact CG-CG2 4.17Å; L593-V617 HydrophobicContact CD2-CG1 4.34Å; L593-V617 HydrophobicContact CD2-CG2 4.33Å; L602-V617 HydrophobicContact CD2-CG1 4.48Å; C605-V617 VanDerWaalsContact SG-CG2 3.59Å; L613-V617 WeakPolarHBondContact O-CG2 3.26Å; L613-V617 PolarHBondContact O-N 2.87Å; W614-V617 PolarHBondContact O-N 3.21Å; V617-V619 VanDerWaalsContact C-N 3.33Å; V617-V619 PolarHBondContact O-N 2.9Å; V617-E620 PolarHBondContact O-N 3.03Å; V617-A621 WeakPolarHBondContact O-CB 3.42Å; V617-A621 PolarHBondContact O-N 2.78Å; V617-V629 HydrophobicContact CG1-CG1 3.96Å
618A94.8Very high93.1Very high0 Ų032.8 Ų32.80%018%0.176CC..Hα-helixtrans-58.8-45.9179.200000111.6W614 A615 T616 T622 C633 Y634W614-A618 WeakPolarHBondContact O-CB 3.39Å; W614-A618 PolarHBondContact O-N 3.09Å; A615-A618 WeakPolarHBondContact O-CB 3.41Å; A615-A618 PolarHBondContact O-N 2.95Å; T616-A618 VanDerWaalsContact C-N 3.34Å; T616-A618 PolarHBondContact O-N 3.34Å; A618-T622 WeakPolarHBondContact O-CB 3.05Å; A618-T622 PolarHBondContact O-N 2.73Å; A618-T622 PolarHBondContact O-OG1 2.85Å; A618-C633 HydrophobicContact CB-CB 3.55Å; A618-Y634 HydrophobicContact CB-CD1 3.91Å; A618-Y634 HydrophobicContact CB-CE1 3.61Å; A618-Y634 HydrophobicContact CB-CE2 4.36Å; A618-Y634 HydrophobicContact CB-CG 4.37Å
619V94Very high93.1Very high2 Ų231.6 Ų31.61%0.01217%0.171CC..Hα-helixtrans-65.2-48.9178.3176.40000110.9Q532 T535 L542 T546 A615 T616 V617 A621 T622 L623Q532-V619 HydrophobicContact CG-CB 4.22Å; Q532-V619 HydrophobicContact CG-CG1 3.8Å; T535-V619 HydrophobicContact CG2-CG2 3.82Å; T535-V619 WeakPolarHBondContact OG1-CG1 3.45Å; T535-V619 WeakPolarHBondContact OG1-CG2 3.1Å; L542-V619 HydrophobicContact CD2-CG2 3.36Å; L542-V619 HydrophobicContact CG-CG2 4.13Å; T546-V619 HydrophobicContact CG2-CG2 4.17Å; A615-V619 WeakPolarHBondContact O-CG2 3.39Å; A615-V619 PolarHBondContact O-N 3.41Å; T616-V619 PolarHBondContact O-N 3.34Å; V617-V619 VanDerWaalsContact C-N 3.33Å; V617-V619 PolarHBondContact O-N 2.9Å; V619-A621 VanDerWaalsContact C-N 3.34Å; V619-A621 PolarHBondContact O-N 3.34Å; V619-T622 WeakPolarHBondContact O-CA 3.42Å; V619-T622 WeakPolarHBondContact O-CB 3.49Å; V619-T622 PolarHBondContact O-N 3.44Å; V619-L623 HydrophobicContact CG1-CD1 3.91Å; V619-L623 HydrophobicContact CG1-CG 4.37Å; V619-L623 WeakPolarHBondContact O-CG 3.44Å; V619-L623 PolarHBondContact O-N 3.16Å
620E94Very high93.1Very high50 Ų5025.7 Ų25.723%0.23414%0.139CC..Hα-helixtrans-65.4-38-177.9-169.462.2-155.800112.2Q532 L593 W598 T616 V617 T622 L623 S624Q532-E620 PolarHBondContact NE2-OE2 2.84Å; L593-E620 HydrophobicContact CB-CG 4.19Å; L593-E620 HydrophobicContact CD1-CB 4.13Å; L593-E620 HydrophobicContact CD1-CG 4.18Å; L593-E620 HydrophobicContact CD2-CB 4.22Å; L593-E620 HydrophobicContact CD2-CG 4.09Å; L593-E620 HydrophobicContact CG-CG 4.39Å; W598-E620 HydrophobicContact CH2-CG 4.19Å; W598-E620 HydrophobicContact CZ3-CG 4.43Å; T616-E620 PolarHBondContact O-N 2.94Å; V617-E620 PolarHBondContact O-N 3.03Å; E620-T622 VanDerWaalsContact C-N 3.29Å; E620-T622 PolarHBondContact O-N 2.89Å; E620-L623 PolarHBondContact O-N 2.8Å; E620-S624 WeakPolarHBondContact O-CB 3.38Å; E620-S624 PolarHBondContact O-N 3.33Å; E620-S624 PolarHBondContact O-OG 3.26Å
621A93.8Very high93Very high0 Ų027 Ų270%014%0.141CC..Hα-helixtrans-63.4-37.2172.600000111.4W598 V617 V619 S624 G625 E626 V629 A630W598-A621 HydrophobicContact CE3-CB 4.49Å; W598-A621 HydrophobicContact CH2-CB 4.42Å; W598-A621 HydrophobicContact CZ3-CB 3.98Å; V617-A621 WeakPolarHBondContact O-CB 3.42Å; V617-A621 PolarHBondContact O-N 2.78Å; V619-A621 VanDerWaalsContact C-N 3.34Å; V619-A621 PolarHBondContact O-N 3.34Å; A621-S624 WeakPolarHBondContact CA-OG 3.37Å; A621-S624 PolarHBondContact O-OG 2.94Å; A621-G625 PolarHBondContact O-N 3.02Å; A621-G625 VanDerWaalsContact O-N 3.14Å; A621-E626 HydrophobicContact CB-CB 4.28Å; A621-E626 PolarHBondContact O-N 3.39Å; A621-V629 HydrophobicContact CB-CB 3.99Å; A621-V629 HydrophobicContact CB-CG1 3.91Å; A621-A630 HydrophobicContact CB-CB 3.82Å
622T91.7Very high92.9Very high3 Ų326.8 Ų26.82%0.01814%0.136CC..Hα-helixtrans-67.3-46.6176.6-530000110.7A618 V619 E620 S624 G625 Y634 L661 T662A618-T622 WeakPolarHBondContact O-CB 3.05Å; A618-T622 PolarHBondContact O-N 2.73Å; A618-T622 PolarHBondContact O-OG1 2.85Å; V619-T622 WeakPolarHBondContact O-CA 3.42Å; V619-T622 WeakPolarHBondContact O-CB 3.49Å; V619-T622 PolarHBondContact O-N 3.44Å; E620-T622 VanDerWaalsContact C-N 3.29Å; E620-T622 PolarHBondContact O-N 2.89Å; T622-S624 VanDerWaalsContact C-N 3.29Å; T622-S624 PolarHBondContact O-N 3.28Å; T622-G625 PolarHBondContact O-N 2.8Å; T622-Y634 WeakPolarHBondContact OG1-CE2 3.36Å; T622-Y634 PolarHBondContact OG1-OH 3.49Å; T622-L661 HydrophobicContact CG2-CB 3.68Å; T622-L661 HydrophobicContact CG2-CD1 4.48Å; T622-T662 HydrophobicContact CG2-CG2 3.96Å
623L89.5Confident93Very high56 Ų5626.5 Ų26.529%0.29313%0.134SC..Hα-helixtrans-63.5-32.8177.9-71.7170.1000113E534 V538 V619 E620 T662E534-L623 HydrophobicContact CB-CD1 4.49Å; E534-L623 HydrophobicContact CG-CD1 3.96Å; V538-L623 HydrophobicContact CG2-CD2 3.91Å; V619-L623 HydrophobicContact CG1-CD1 3.91Å; V619-L623 HydrophobicContact CG1-CG 4.37Å; V619-L623 WeakPolarHBondContact O-CG 3.44Å; V619-L623 PolarHBondContact O-N 3.16Å; E620-L623 PolarHBondContact O-N 2.8Å; L623-T662 HydrophobicContact CD2-CG2 3.99Å
624S90.3Very high93Very high38 Ų3826.6 Ų26.627%0.26613%0.134SC..Hα-helixtrans-87.4-6.8179.458.60000114.6W598 E620 A621 T622W598-S624 WeakPolarHBondContact CH2-OG 3.32Å; W598-S624 WeakPolarHBondContact CZ2-OG 2.87Å; E620-S624 WeakPolarHBondContact O-CB 3.38Å; E620-S624 PolarHBondContact O-N 3.33Å; E620-S624 PolarHBondContact O-OG 3.26Å; A621-S624 WeakPolarHBondContact CA-OG 3.37Å; A621-S624 PolarHBondContact O-OG 2.94Å; T622-S624 VanDerWaalsContact C-N 3.29Å; T622-S624 PolarHBondContact O-N 3.28Å
625G88.7Confident92.9Very high21 Ų2129 Ų2922%0.21616%0.155CC..THydrogen-bonded Turntrans879.6-179.700000115.5A621 T622 V627 R654A621-G625 PolarHBondContact O-N 3.02Å; A621-G625 VanDerWaalsContact O-N 3.14Å; T622-G625 PolarHBondContact O-N 2.8Å; G625-V627 PolarHBondContact O-N 3.27Å; G625-V627 VanDerWaalsContact O-N 3.1Å; G625-R654 PolarHBondContact O-NH2 3.27Å
626E91.1Very high92.8Very high71 Ų7131.9 Ų31.933%0.33217%0.173SC..  trans-87.271.7-177.7-69.5-69.5-18000112.5W598 A621 N628 V629 A630W598-E626 HydrophobicContact CZ2-CB 4.33Å; W598-E626 HydrophobicContact CZ2-CG 3.82Å; A621-E626 HydrophobicContact CB-CB 4.28Å; A621-E626 PolarHBondContact O-N 3.39Å; E626-N628 VanDerWaalsContact C-N 3.32Å; E626-N628 PolarHBondContact O-N 3.13Å; E626-V629 HydrophobicContact CB-CB 4.4Å; E626-V629 HydrophobicContact CB-CG2 4.44Å; E626-V629 PolarHBondContact O-N 2.95Å; E626-A630 PolarHBondContact O-N 2.89Å
627V87.8Confident92.8Very high13 Ų1332.1 Ų32.18%0.07917%0.174CC..Hα-helixtrans-56.3-39.6-173.3179.20000113.4G625 V629 A630 R631 M646 R654 L658G625-V627 PolarHBondContact O-N 3.27Å; G625-V627 VanDerWaalsContact O-N 3.1Å; V627-V629 VanDerWaalsContact C-N 3.35Å; V627-V629 PolarHBondContact O-N 2.86Å; V627-A630 PolarHBondContact O-N 2.89Å; V627-R631 WeakPolarHBondContact O-CB 3.13Å; V627-R631 PolarHBondContact O-N 2.86Å; V627-M646 HydrophobicContact CG1-SD 4.25Å; V627-R654 HydrophobicContact CG2-CG 3.93Å; V627-L658 HydrophobicContact CG2-CD1 3.95Å; V627-L658 HydrophobicContact CG2-CD2 3.73Å; V627-L658 HydrophobicContact CG2-CG 3.9Å
628N90.8Very high92.6Very high102 Ų10238 Ų3855%0.54521%0.205SC..Hα-helixtrans-65.6-40.2-177.7-69.7-28.9000112.1E626 Y632E626-N628 VanDerWaalsContact C-N 3.32Å; E626-N628 PolarHBondContact O-N 3.13Å; N628-Y632 WeakPolarHBondContact O-CB 3.45Å; N628-Y632 PolarHBondContact O-N 3.3Å; N628-Y632 VanDerWaalsContact O-N 3.11Å
629V93.8Very high92.5Very high18 Ų1839.5 Ų39.511%0.10921%0.212CC..Hα-helixtrans-70.3-45.5177.6179.80000109.5W598 L602 V617 A621 E626 V627 R631 Y632 C633W598-V629 HydrophobicContact CB-CG2 3.94Å; W598-V629 HydrophobicContact CE3-CG1 4.06Å; W598-V629 HydrophobicContact CG-CG2 4.15Å; L602-V629 HydrophobicContact CD1-CG1 4.31Å; L602-V629 HydrophobicContact CD2-CG1 4.16Å; L602-V629 HydrophobicContact CG-CG1 4.36Å; V617-V629 HydrophobicContact CG1-CG1 3.96Å; A621-V629 HydrophobicContact CB-CB 3.99Å; A621-V629 HydrophobicContact CB-CG1 3.91Å; E626-V629 HydrophobicContact CB-CB 4.4Å; E626-V629 HydrophobicContact CB-CG2 4.44Å; E626-V629 PolarHBondContact O-N 2.95Å; V627-V629 VanDerWaalsContact C-N 3.35Å; V627-V629 PolarHBondContact O-N 2.86Å; V629-R631 PolarHBondContact O-N 2.69Å; V629-Y632 PolarHBondContact O-N 2.8Å; V629-C633 PolarHBondContact O-N 3.5Å; V629-C633 PolarHBondContact O-SG 2.9Å
630A92.9Very high92.2Very high0 Ų043.3 Ų43.30%024%0.236CC..Hα-helixtrans-58.6-49.7177.100000111.4A621 E626 V627 Y632 C633 Y634 M646A621-A630 HydrophobicContact CB-CB 3.82Å; E626-A630 PolarHBondContact O-N 2.89Å; V627-A630 PolarHBondContact O-N 2.89Å; A630-Y632 VanDerWaalsContact C-N 3.32Å; A630-Y632 PolarHBondContact O-N 3.36Å; A630-C633 PolarHBondContact O-N 2.83Å; A630-C633 VanDerWaalsContact O-N 3.13Å; A630-Y634 HydrophobicContact CB-CD2 4.26Å; A630-Y634 HydrophobicContact CB-CE2 4.01Å; A630-Y634 WeakPolarHBondContact O-CB 3.32Å; A630-Y634 WeakPolarHBondContact O-CD2 3.34Å; A630-Y634 PolarHBondContact O-N 2.94Å; A630-M646 HydrophobicContact CB-CE 3.87Å
631R91.2Very high91.9Very high77 Ų7748.3 Ų48.329%0.29126%0.259SS..Hα-helixtrans-56.6-45.3177.7-171.2-173.7-66.8150.1-5.6111.7V627 V629 Y634 A635 I643 M646V627-R631 WeakPolarHBondContact O-CB 3.13Å; V627-R631 PolarHBondContact O-N 2.86Å; V629-R631 PolarHBondContact O-N 2.69Å; R631-Y634 PolarHBondContact O-N 3.33Å; R631-A635 WeakPolarHBondContact O-CB 3.47Å; R631-A635 PolarHBondContact O-N 2.93Å; R631-I643 HydrophobicContact CG-CG2 4.49Å; R631-M646 HydrophobicContact CB-SD 3.75Å; R631-M646 HydrophobicContact CG-SD 4.26Å; R631-M646 PolarHBondContact NH2-O 3.01Å
632Y94Very high91.6Very high96 Ų9649.4 Ų49.438%0.37626%0.264SS..Hα-helixtrans-62.6-45.1177.1178.8-101.1000111.7L602 R606 W614 N628 V629 A630 A635 V636L602-Y632 HydrophobicContact CD2-CD1 3.76Å; L602-Y632 HydrophobicContact CD2-CE1 4.02Å; R606-Y632 PolarHBondContact NE-OH 3.4Å; R606-Y632 VanDerWaalsContact NE-OH 3.15Å; R606-Y632 PolarHBondContact NH2-OH 3.27Å; W614-Y632 HydrophobicContact CH2-CD1 4.4Å; W614-Y632 AromaticContact CH2-CE1 3.62Å; W614-Y632 HydrophobicContact CH2-CE1 3.62Å; W614-Y632 AromaticContact CZ3-CD1 3.93Å; W614-Y632 HydrophobicContact CZ3-CD1 3.93Å; W614-Y632 AromaticContact CZ3-CE1 3.61Å; W614-Y632 HydrophobicContact CZ3-CE1 3.61Å; N628-Y632 WeakPolarHBondContact O-CB 3.45Å; N628-Y632 PolarHBondContact O-N 3.3Å; N628-Y632 VanDerWaalsContact O-N 3.11Å; V629-Y632 PolarHBondContact O-N 2.8Å; A630-Y632 VanDerWaalsContact C-N 3.32Å; A630-Y632 PolarHBondContact O-N 3.36Å; Y632-A635 WeakPolarHBondContact O-CB 3.28Å; Y632-A635 PolarHBondContact O-N 3.34Å; Y632-V636 HydrophobicContact CE1-CG2 4.26Å; Y632-V636 WeakPolarHBondContact O-CG2 3.33Å; Y632-V636 PolarHBondContact O-N 2.83Å; Y632-V636 VanDerWaalsContact O-N 3.15Å
633C95.9Very high91.3Very high0 Ų050.8 Ų50.80%027%0.271CS..Hα-helixtrans-66.3-42.7179-60.60000111.8W614 A618 V629 A630 A635 V636 I637W614-C633 HydrophobicContact CE3-CB 4.14Å; A618-C633 HydrophobicContact CB-CB 3.55Å; V629-C633 PolarHBondContact O-N 3.5Å; V629-C633 PolarHBondContact O-SG 2.9Å; A630-C633 PolarHBondContact O-N 2.83Å; A630-C633 VanDerWaalsContact O-N 3.13Å; C633-A635 VanDerWaalsContact C-N 3.26Å; C633-A635 PolarHBondContact O-N 2.87Å; C633-V636 WeakPolarHBondContact O-CB 3.39Å; C633-V636 PolarHBondContact O-N 2.82Å; C633-I637 WeakPolarHBondContact O-CG1 3.49Å; C633-I637 PolarHBondContact O-N 3.09Å
634Y94.9Very high91.1Very high4 Ų452.5 Ų52.52%0.01628%0.277CS..Hα-helixtrans-59-36.8174.6-72.7-50000112.4L542 A618 T622 A630 R631 I637 N638 E639 K642 M646L542-Y634 HydrophobicContact CD1-CE1 4.48Å; L542-Y634 HydrophobicContact CD2-CE1 3.75Å; A618-Y634 HydrophobicContact CB-CD1 3.91Å; A618-Y634 HydrophobicContact CB-CE1 3.61Å; A618-Y634 HydrophobicContact CB-CE2 4.36Å; A618-Y634 HydrophobicContact CB-CG 4.37Å; T622-Y634 WeakPolarHBondContact OG1-CE2 3.36Å; T622-Y634 PolarHBondContact OG1-OH 3.49Å; A630-Y634 HydrophobicContact CB-CD2 4.26Å; A630-Y634 HydrophobicContact CB-CE2 4.01Å; A630-Y634 WeakPolarHBondContact O-CB 3.32Å; A630-Y634 WeakPolarHBondContact O-CD2 3.34Å; A630-Y634 PolarHBondContact O-N 2.94Å; R631-Y634 PolarHBondContact O-N 3.33Å; Y634-I637 HydrophobicContact CD1-CD1 3.91Å; Y634-I637 HydrophobicContact CD1-CG1 4.3Å; Y634-I637 HydrophobicContact CE1-CD1 4.34Å; Y634-I637 PolarHBondContact O-N 3.11Å; Y634-N638 PolarHBondContact O-N 2.73Å; Y634-N638 VanDerWaalsContact O-N 3.1Å; Y634-E639 HydrophobicContact CD1-CB 3.84Å; Y634-E639 HydrophobicContact CD1-CG 4.04Å; Y634-E639 HydrophobicContact CG-CB 4.34Å; Y634-E639 PolarHBondContact O-N 2.73Å; Y634-K642 HydrophobicContact CD1-CD 3.8Å; Y634-K642 HydrophobicContact CD2-CB 4.34Å; Y634-K642 HydrophobicContact CD2-CD 4.4Å; Y634-K642 HydrophobicContact CE1-CD 3.52Å; Y634-K642 HydrophobicContact CE2-CD 4.13Å; Y634-K642 HydrophobicContact CG-CB 4.29Å; Y634-K642 HydrophobicContact CG-CD 4.27Å; Y634-M646 HydrophobicContact CD2-CE 3.66Å; Y634-M646 HydrophobicContact CD2-SD 4.13Å; Y634-M646 HydrophobicContact CE2-CE 3.54Å
635A93.6Very high90.8Very high56 Ų5654 Ų5446%0.46328%0.279SS..Hα-helixtrans-63.3-39.8172.300000112.7R631 Y632 C633 N638 I643R631-A635 WeakPolarHBondContact O-CB 3.47Å; R631-A635 PolarHBondContact O-N 2.93Å; Y632-A635 WeakPolarHBondContact O-CB 3.28Å; Y632-A635 PolarHBondContact O-N 3.34Å; C633-A635 VanDerWaalsContact C-N 3.26Å; C633-A635 PolarHBondContact O-N 2.87Å; A635-N638 PolarHBondContact O-N 3.01Å; A635-I643 HydrophobicContact CB-CD1 3.83Å
636V94.9Very high90.5Very high62 Ų6253.2 Ų53.238%0.37627%0.27SS..Hα-helixtrans-67.9-40.3177.5177.10000111.7W614 Y632 C633 N638W614-V636 HydrophobicContact CD2-CB 4.17Å; W614-V636 HydrophobicContact CD2-CG1 3.74Å; W614-V636 HydrophobicContact CE3-CB 4.27Å; W614-V636 HydrophobicContact CE3-CG1 4.33Å; W614-V636 HydrophobicContact CE3-CG2 4.34Å; W614-V636 HydrophobicContact CG-CB 4.48Å; W614-V636 HydrophobicContact CG-CG1 3.83Å; W614-V636 HydrophobicContact CH2-CG2 4.43Å; W614-V636 HydrophobicContact CZ2-CG1 4.37Å; W614-V636 HydrophobicContact CZ3-CG2 4.29Å; Y632-V636 HydrophobicContact CE1-CG2 4.26Å; Y632-V636 WeakPolarHBondContact O-CG2 3.33Å; Y632-V636 PolarHBondContact O-N 2.83Å; Y632-V636 VanDerWaalsContact O-N 3.15Å; C633-V636 WeakPolarHBondContact O-CB 3.39Å; C633-V636 PolarHBondContact O-N 2.82Å; V636-N638 VanDerWaalsContact C-N 3.26Å; V636-N638 PolarHBondContact O-N 2.84Å
637I94.3Very high90Very high6 Ų654.7 Ų54.73%0.03128%0.28CS..THydrogen-bonded Turntrans-86.59.3179.165.4165.3000114.3L542 K545 E611 W614 A615 C633 Y634 E639L542-I637 HydrophobicContact CD1-CD1 3.66Å; K545-I637 HydrophobicContact CD-CD1 4.37Å; K545-I637 PolarHBondContact NZ-O 3.45Å; E611-I637 HydrophobicContact CG-CB 4.44Å; E611-I637 HydrophobicContact CG-CG2 4.04Å; W614-I637 HydrophobicContact CB-CG2 3.47Å; W614-I637 VanDerWaalsContact CB-CG2 3.47Å; W614-I637 HydrophobicContact CG-CG2 4.48Å; A615-I637 HydrophobicContact CB-CD1 4.12Å; C633-I637 WeakPolarHBondContact O-CG1 3.49Å; C633-I637 PolarHBondContact O-N 3.09Å; Y634-I637 HydrophobicContact CD1-CD1 3.91Å; Y634-I637 HydrophobicContact CD1-CG1 4.3Å; Y634-I637 HydrophobicContact CE1-CD1 4.34Å; Y634-I637 PolarHBondContact O-N 3.11Å; I637-E639 HydrophobicContact CD1-CB 4.48Å; I637-E639 HydrophobicContact CD1-CG 3.58Å; I637-E639 HydrophobicContact CG1-CB 4.3Å; I637-E639 HydrophobicContact CG1-CG 3.74Å; I637-E639 PolarHBondContact O-N 2.95Å
638N93.4Very high89.4Confident123 Ų12362.7 Ų62.766%0.65831%0.309SS*.THydrogen-bonded Turntrans5740177.5-161.936.1000114.6Y634 A635 V636 V640Y634-N638 PolarHBondContact O-N 2.73Å; Y634-N638 VanDerWaalsContact O-N 3.1Å; A635-N638 PolarHBondContact O-N 3.01Å; V636-N638 VanDerWaalsContact C-N 3.26Å; V636-N638 PolarHBondContact O-N 2.84Å; N638-V640 PolarHBondContact O-N 3.38Å
639E92Very high88.3Confident31 Ų3159.6 Ų59.615%0.14529%0.294CS..  trans-88.573.2173.3-75-70.6139.400110.4L542 K545 Y634 I637 E641 K642 I643L542-E639 HydrophobicContact CD1-CG 4.34Å; K545-E639 WeakPolarHBondContact CE-OE1 3.47Å; K545-E639 IonicContact NZ-OE1 3.06Å; K545-E639 PolarHBondContact NZ-OE1 3.01Å; Y634-E639 HydrophobicContact CD1-CB 3.84Å; Y634-E639 HydrophobicContact CD1-CG 4.04Å; Y634-E639 HydrophobicContact CG-CB 4.34Å; Y634-E639 PolarHBondContact O-N 2.73Å; I637-E639 HydrophobicContact CD1-CB 4.48Å; I637-E639 HydrophobicContact CD1-CG 3.58Å; I637-E639 HydrophobicContact CG1-CB 4.3Å; I637-E639 HydrophobicContact CG1-CG 3.74Å; I637-E639 PolarHBondContact O-N 2.95Å; E639-E641 PolarHBondContact O-N 3.26Å; E639-K642 HydrophobicContact CB-CB 4.39Å; E639-K642 HydrophobicContact CB-CD 4.39Å; E639-K642 HydrophobicContact CB-CG 4.46Å; E639-K642 PolarHBondContact O-N 2.84Å; E639-K642 IonicContact OE2-NZ 3.49Å; E639-K642 PolarHBondContact OE2-NZ 3.31Å; E639-I643 WeakPolarHBondContact O-CD1 2.98Å; E639-I643 WeakPolarHBondContact O-CG1 3.25Å; E639-I643 PolarHBondContact O-N 2.94Å
640V88.4Confident87.1Confident83 Ų8361.2 Ų61.250%0.50331%0.306SS..Hα-helixtrans-60.8-43.2-170.5-175.90000112.7N638 K642 I643 E644N638-V640 PolarHBondContact O-N 3.38Å; V640-K642 VanDerWaalsContact C-N 3.31Å; V640-K642 PolarHBondContact O-N 3.37Å; V640-I643 PolarHBondContact O-N 3.07Å; V640-I643 VanDerWaalsContact O-N 3.14Å; V640-E644 PolarHBondContact O-N 2.97Å
641E86.8Confident86Confident154 Ų15468.2 Ų68.272%0.7234%0.343SS*.Hα-helixtrans-60.4-41.3-177.9-63.5-179.8-176.500111.8E639 E644 F645E639-E641 PolarHBondContact O-N 3.26Å; E641-E644 PolarHBondContact O-N 2.79Å; E641-F645 WeakPolarHBondContact O-CB 3.24Å; E641-F645 PolarHBondContact O-N 3.44Å
642K87.7Confident85.1Confident24 Ų2470.8 Ų70.810%0.10436%0.362CS..Hα-helixtrans-66.9-38.6177-64.7-168.5177.191.80112.2D539 Y634 E639 V640 F645 M646D539-K642 WeakPolarHBondContact OD2-CE 3.23Å; D539-K642 IonicContact OD2-NZ 3.63Å; D539-K642 PolarHBondContact OD2-NZ 3.29Å; Y634-K642 HydrophobicContact CD1-CD 3.8Å; Y634-K642 HydrophobicContact CD2-CB 4.34Å; Y634-K642 HydrophobicContact CD2-CD 4.4Å; Y634-K642 HydrophobicContact CE1-CD 3.52Å; Y634-K642 HydrophobicContact CE2-CD 4.13Å; Y634-K642 HydrophobicContact CG-CB 4.29Å; Y634-K642 HydrophobicContact CG-CD 4.27Å; E639-K642 HydrophobicContact CB-CB 4.39Å; E639-K642 HydrophobicContact CB-CD 4.39Å; E639-K642 HydrophobicContact CB-CG 4.46Å; E639-K642 PolarHBondContact O-N 2.84Å; E639-K642 IonicContact OE2-NZ 3.49Å; E639-K642 PolarHBondContact OE2-NZ 3.31Å; V640-K642 VanDerWaalsContact C-N 3.31Å; V640-K642 PolarHBondContact O-N 3.37Å; K642-F645 PolarHBondContact O-N 3.48Å; K642-M646 WeakPolarHBondContact O-CB 3.23Å; K642-M646 VanDerWaalsContact O-CG 3.27Å; K642-M646 WeakPolarHBondContact O-CG 3.3Å; K642-M646 PolarHBondContact O-N 3.27Å
643I85.7Confident84.3Confident31 Ų3169.4 Ų69.416%0.15936%0.359CS..Hα-helixtrans-66.9-43.1177.4-61.1160.3000110.1R631 A635 E639 V640 F645 M646 N647R631-I643 HydrophobicContact CG-CG2 4.49Å; A635-I643 HydrophobicContact CB-CD1 3.83Å; E639-I643 WeakPolarHBondContact O-CD1 2.98Å; E639-I643 WeakPolarHBondContact O-CG1 3.25Å; E639-I643 PolarHBondContact O-N 2.94Å; V640-I643 PolarHBondContact O-N 3.07Å; V640-I643 VanDerWaalsContact O-N 3.14Å; I643-F645 VanDerWaalsContact C-N 3.34Å; I643-M646 CarbonylContact O-C 3.52Å; I643-M646 PolarHBondContact O-N 3.08Å; I643-N647 WeakPolarHBondContact O-CB 3.08Å; I643-N647 PolarHBondContact O-N 3.43Å; I643-N647 PolarHBondContact O-ND2 3.15Å
644E85.6Confident83.5Confident92 Ų9273.5 Ų73.543%0.4337%0.374SS..Hα-helixtrans-62.8-44.5178-168.5174.8-179.800110.9V640 E641 M646 N647 R648V640-E644 PolarHBondContact O-N 2.97Å; E641-E644 PolarHBondContact O-N 2.79Å; E644-M646 VanDerWaalsContact C-N 3.34Å; E644-M646 PolarHBondContact O-N 3.24Å; E644-N647 PolarHBondContact O-N 3.07Å; E644-N647 VanDerWaalsContact O-N 3.1Å; E644-R648 WeakPolarHBondContact O-CG 3.47Å; E644-R648 PolarHBondContact O-N 2.91Å; E644-R648 IonicContact OE1-CZ 3.24Å; E644-R648 IonicContact OE1-NE 3.12Å; E644-R648 IonicContact OE1-NH2 2.79Å; E644-R648 PolarHBondContact OE1-NH2 2.79Å
645F83.5Confident82.9Confident71 Ų7177.5 Ų77.531%0.31140%0.396SS..Hα-helixtrans-57-45.6172-176.6-98.7000112E641 K642 I643 N647 T649 D657 L660 L661E641-F645 WeakPolarHBondContact O-CB 3.24Å; E641-F645 PolarHBondContact O-N 3.44Å; K642-F645 PolarHBondContact O-N 3.48Å; I643-F645 VanDerWaalsContact C-N 3.34Å; F645-N647 VanDerWaalsContact C-N 3.27Å; F645-N647 PolarHBondContact O-N 2.79Å; F645-T649 VanDerWaalsContact O-CG2 3.3Å; F645-T649 WeakPolarHBondContact O-CG2 3.38Å; F645-T649 PolarHBondContact O-OG1 3.49Å; F645-D657 HydrophobicContact CE1-CB 3.81Å; F645-D657 HydrophobicContact CZ-CB 4.19Å; F645-L660 HydrophobicContact CE1-CB 4.44Å; F645-L660 HydrophobicContact CE2-CD1 4.45Å; F645-L660 HydrophobicContact CZ-CB 4.04Å; F645-L660 HydrophobicContact CZ-CD1 3.83Å; F645-L661 HydrophobicContact CD1-CD1 4.23Å; F645-L661 HydrophobicContact CD1-CD2 3.91Å; F645-L661 HydrophobicContact CD1-CG 3.93Å; F645-L661 HydrophobicContact CE1-CD1 4.25Å; F645-L661 HydrophobicContact CE1-CD2 4.29Å; F645-L661 HydrophobicContact CE1-CG 3.85Å
646M82.2Confident82.5Confident3 Ų374.9 Ų74.92%0.01537%0.374CS..Hα-helixtrans-70-15176.6-75.2-175.217800115V627 A630 R631 Y634 K642 I643 E644 T649 L661V627-M646 HydrophobicContact CG1-SD 4.25Å; A630-M646 HydrophobicContact CB-CE 3.87Å; R631-M646 HydrophobicContact CB-SD 3.75Å; R631-M646 HydrophobicContact CG-SD 4.26Å; R631-M646 PolarHBondContact NH2-O 3.01Å; Y634-M646 HydrophobicContact CD2-CE 3.66Å; Y634-M646 HydrophobicContact CD2-SD 4.13Å; Y634-M646 HydrophobicContact CE2-CE 3.54Å; K642-M646 WeakPolarHBondContact O-CB 3.23Å; K642-M646 VanDerWaalsContact O-CG 3.27Å; K642-M646 WeakPolarHBondContact O-CG 3.3Å; K642-M646 PolarHBondContact O-N 3.27Å; I643-M646 CarbonylContact O-C 3.52Å; I643-M646 PolarHBondContact O-N 3.08Å; E644-M646 VanDerWaalsContact C-N 3.34Å; E644-M646 PolarHBondContact O-N 3.24Å; M646-T649 WeakPolarHBondContact CA-OG1 3.3Å; M646-T649 PolarHBondContact O-OG1 3.37Å; M646-L661 HydrophobicContact CE-CD1 3.37Å; M646-L661 HydrophobicContact CE-CD2 4.38Å; M646-L661 HydrophobicContact CE-CG 4.5Å; M646-L661 HydrophobicContact CG-CD1 3.97Å
647N81.2Confident81.8Confident102 Ų10272.4 Ų72.455%0.54536%0.358SS..Hα-helixtrans-96.3-30.2179.5-77-17.6000112.4I643 E644 F645 T649I643-N647 WeakPolarHBondContact O-CB 3.08Å; I643-N647 PolarHBondContact O-N 3.43Å; I643-N647 PolarHBondContact O-ND2 3.15Å; E644-N647 PolarHBondContact O-N 3.07Å; E644-N647 VanDerWaalsContact O-N 3.1Å; F645-N647 VanDerWaalsContact C-N 3.27Å; F645-N647 PolarHBondContact O-N 2.79Å; N647-T649 PolarHBondContact O-N 2.73Å
648R75.1Confident81.4Confident182 Ų18273.1 Ų73.169%0.68736%0.362SS*.Hα-helixtrans-67.1-17.6174.9-71.9177.1-174.9-176.32.4112.6E644E644-R648 WeakPolarHBondContact O-CG 3.47Å; E644-R648 PolarHBondContact O-N 2.91Å; E644-R648 IonicContact OE1-CZ 3.24Å; E644-R648 IonicContact OE1-NE 3.12Å; E644-R648 IonicContact OE1-NH2 2.79Å; E644-R648 PolarHBondContact OE1-NH2 2.79Å
649T66.3Low81Confident37 Ų3768.1 Ų68.123%0.22734%0.337CS..  trans-88.2118.7-16629.90000111.4F645 M646 N647 D657F645-T649 VanDerWaalsContact O-CG2 3.3Å; F645-T649 WeakPolarHBondContact O-CG2 3.38Å; F645-T649 PolarHBondContact O-OG1 3.49Å; M646-T649 WeakPolarHBondContact CA-OG1 3.3Å; M646-T649 PolarHBondContact O-OG1 3.37Å; N647-T649 PolarHBondContact O-N 2.73Å; T649-D657 WeakPolarHBondContact CB-OD2 3.31Å; T649-D657 HydrophobicContact CG2-CB 3.97Å; T649-D657 WeakPolarHBondContact CG2-OD1 3.25Å; T649-D657 WeakPolarHBondContact CG2-OD2 3.48Å
650S68.8Low80.8Confident52 Ų5268.6 Ų68.636%0.36434%0.34SS..  trans-69.9150.9173.478.40000110N652 F653S650-N652 PolarHBondContact O-N 2.9Å; S650-F653 PolarHBondContact O-N 3.26Å; S650-F653 WeakPolarHBondContact OG-CD2 3.42Å; S650-F653 WeakPolarHBondContact OG-CE2 3.42Å
651D70.2Confident80.6Confident147 Ų14765.9 Ų65.979%0.78632%0.323SS*.G310 helixtrans-51.8-27.2178.2-77.7-31.3000113.1F653D651-F653 VanDerWaalsContact C-N 3.28Å; D651-F653 PolarHBondContact O-N 3.1Å
652N73.2Confident80.5Confident130 Ų13060.1 Ų60.170%0.69530%0.298SS*.G310 helixtrans-66.4-23.4176.3-73.7-19.1000113.9S650 R675S650-N652 PolarHBondContact O-N 2.9Å; N652-R675 PolarHBondContact O-NH1 3.21Å
653F76.5Confident80.1Confident68 Ų6860.9 Ų60.930%0.29831%0.313SS..G310 helixtrans-104-2.8-174.6-63.3-55.4000114.8S650 D651 D655 V656 D657 L677S650-F653 PolarHBondContact O-N 3.26Å; S650-F653 WeakPolarHBondContact OG-CD2 3.42Å; S650-F653 WeakPolarHBondContact OG-CE2 3.42Å; D651-F653 VanDerWaalsContact C-N 3.28Å; D651-F653 PolarHBondContact O-N 3.1Å; F653-D655 VanDerWaalsContact C-N 3.26Å; F653-D655 PolarHBondContact O-N 3.38Å; F653-V656 WeakPolarHBondContact O-CA 3.44Å; F653-V656 WeakPolarHBondContact O-CB 3.48Å; F653-V656 PolarHBondContact O-N 2.97Å; F653-D657 WeakPolarHBondContact CB-OD2 3.36Å; F653-D657 VanDerWaalsContact O-CG 3.29Å; F653-D657 PolarHBondContact O-N 2.77Å; F653-D657 VanDerWaalsContact O-N 3.09Å; F653-L677 HydrophobicContact CD1-CD1 4.29Å; F653-L677 HydrophobicContact CE1-CD1 3.28Å; F653-L677 HydrophobicContact CZ-CD1 3.86Å
654R79.5Confident80Confident86 Ų8661.8 Ų61.833%0.32532%0.318SS..Hα-helixtrans-47.5-42.2-171.9-172.1175.9169.3174.4-5.2114.8G625 V627 D657 L658G625-R654 PolarHBondContact O-NH2 3.27Å; V627-R654 HydrophobicContact CG2-CG 3.93Å; R654-D657 PolarHBondContact N-OD2 3.42Å; R654-D657 PolarHBondContact O-N 3.41Å; R654-L658 HydrophobicContact CG-CD1 4.16Å; R654-L658 WeakPolarHBondContact O-CB 3.41Å; R654-L658 WeakPolarHBondContact O-CD1 3.45Å; R654-L658 VanDerWaalsContact O-CG 3.3Å; R654-L658 WeakPolarHBondContact O-CG 3.47Å; R654-L658 PolarHBondContact O-N 2.78Å
655D81.9Confident80.1Confident88 Ų8859.6 Ų59.647%0.47131%0.311SS..Hα-helixtrans-67.3-37.5-179.7-49.3-40.8000112.4F653 C659 L671 R675F653-D655 VanDerWaalsContact C-N 3.26Å; F653-D655 PolarHBondContact O-N 3.38Å; D655-C659 PolarHBondContact O-N 2.8Å; D655-C659 VanDerWaalsContact O-N 3.08Å; D655-C659 PolarHBondContact O-SG 2.94Å; D655-C659 VanDerWaalsContact O-SG 3.39Å; D655-L671 HydrophobicContact CB-CD1 4.31Å; D655-R675 IonicContact OD2-NH2 2.84Å; D655-R675 PolarHBondContact OD2-NH2 2.91Å
656V84.8Confident80.4Confident0 Ų063.2 Ų63.20%033%0.329CS..Hα-helixtrans-69.2-43.6178.3-170.90000109.9F653 L658 C659 L660 A668 L671 Y672F653-V656 WeakPolarHBondContact O-CA 3.44Å; F653-V656 WeakPolarHBondContact O-CB 3.48Å; F653-V656 PolarHBondContact O-N 2.97Å; V656-L658 VanDerWaalsContact C-N 3.3Å; V656-L658 PolarHBondContact O-N 3.06Å; V656-C659 WeakPolarHBondContact O-CA 3.32Å; V656-C659 WeakPolarHBondContact O-CB 3.35Å; V656-C659 PolarHBondContact O-N 2.91Å; V656-C659 VanDerWaalsContact O-N 3.1Å; V656-L660 HydrophobicContact CG1-CD1 4.39Å; V656-L660 WeakPolarHBondContact O-CG 3.3Å; V656-L660 PolarHBondContact O-N 2.86Å; V656-A668 HydrophobicContact CG1-CB 3.94Å; V656-L671 HydrophobicContact CG2-CB 3.75Å; V656-L671 HydrophobicContact CG2-CD1 4.2Å; V656-Y672 HydrophobicContact CB-CE1 4.41Å; V656-Y672 HydrophobicContact CG1-CD1 4.21Å; V656-Y672 HydrophobicContact CG1-CD2 3.84Å; V656-Y672 HydrophobicContact CG1-CE1 3.78Å; V656-Y672 HydrophobicContact CG1-CE2 3.39Å; V656-Y672 HydrophobicContact CG1-CG 4.22Å; V656-Y672 HydrophobicContact CG2-CE1 4.42Å
657D81.3Confident80.7Confident10 Ų1068.4 Ų68.45%0.05335%0.351CS..Hα-helixtrans-65.5-37.6-179.8-53.4-43.1000111.4F645 T649 F653 R654 L660 L661F645-D657 HydrophobicContact CE1-CB 3.81Å; F645-D657 HydrophobicContact CZ-CB 4.19Å; T649-D657 WeakPolarHBondContact CB-OD2 3.31Å; T649-D657 HydrophobicContact CG2-CB 3.97Å; T649-D657 WeakPolarHBondContact CG2-OD1 3.25Å; T649-D657 WeakPolarHBondContact CG2-OD2 3.48Å; F653-D657 WeakPolarHBondContact CB-OD2 3.36Å; F653-D657 VanDerWaalsContact O-CG 3.29Å; F653-D657 PolarHBondContact O-N 2.77Å; F653-D657 VanDerWaalsContact O-N 3.09Å; R654-D657 PolarHBondContact N-OD2 3.42Å; R654-D657 PolarHBondContact O-N 3.41Å; D657-L660 PolarHBondContact O-N 3.38Å; D657-L661 WeakPolarHBondContact O-CB 3.45Å; D657-L661 WeakPolarHBondContact O-CD1 3.13Å; D657-L661 VanDerWaalsContact O-CG 3.26Å; D657-L661 WeakPolarHBondContact O-CG 3.14Å; D657-L661 PolarHBondContact O-N 2.93Å
658L84.4Confident81.1Confident21 Ų2163.5 Ų63.511%0.1133%0.325CS..Hα-helixtrans-62.4-42.8170.8-80166.3000111.9V627 R654 V656 L660 L661 T662V627-L658 HydrophobicContact CG2-CD1 3.95Å; V627-L658 HydrophobicContact CG2-CD2 3.73Å; V627-L658 HydrophobicContact CG2-CG 3.9Å; R654-L658 HydrophobicContact CG-CD1 4.16Å; R654-L658 WeakPolarHBondContact O-CB 3.41Å; R654-L658 WeakPolarHBondContact O-CD1 3.45Å; R654-L658 VanDerWaalsContact O-CG 3.3Å; R654-L658 WeakPolarHBondContact O-CG 3.47Å; R654-L658 PolarHBondContact O-N 2.78Å; V656-L658 VanDerWaalsContact C-N 3.3Å; V656-L658 PolarHBondContact O-N 3.06Å; L658-L660 VanDerWaalsContact C-N 3.34Å; L658-L660 PolarHBondContact O-N 3.25Å; L658-L661 PolarHBondContact O-N 3.37Å; L658-T662 WeakPolarHBondContact O-CB 3.42Å; L658-T662 VanDerWaalsContact O-CG2 3.31Å; L658-T662 WeakPolarHBondContact O-CG2 3.15Å; L658-T662 PolarHBondContact O-N 2.8Å; L658-T662 PolarHBondContact O-OG1 2.84Å
659C86.3Confident82Confident19 Ų1955.5 Ų55.513%0.12830%0.296CS..Hα-helixtrans-60.5-43.3173.3-73.10000111.8D655 V656 T662 G663 D664 K667 A668D655-C659 PolarHBondContact O-N 2.8Å; D655-C659 VanDerWaalsContact O-N 3.08Å; D655-C659 PolarHBondContact O-SG 2.94Å; D655-C659 VanDerWaalsContact O-SG 3.39Å; V656-C659 WeakPolarHBondContact O-CA 3.32Å; V656-C659 WeakPolarHBondContact O-CB 3.35Å; V656-C659 PolarHBondContact O-N 2.91Å; V656-C659 VanDerWaalsContact O-N 3.1Å; C659-T662 WeakPolarHBondContact CA-OG1 3.18Å; C659-T662 PolarHBondContact O-N 3.17Å; C659-T662 PolarHBondContact O-OG1 2.86Å; C659-G663 PolarHBondContact O-N 3.01Å; C659-G663 VanDerWaalsContact O-N 3.16Å; C659-D664 PolarHBondContact O-N 2.87Å; C659-K667 HydrophobicContact CB-CB 4.47Å; C659-A668 HydrophobicContact CB-CB 3.83Å
660L86.7Confident83.2Confident40 Ų4058.8 Ų58.821%0.20931%0.308CS..Hα-helixtrans-64.3-44.7177.1-67.7173.6000112.2F645 V656 D657 L658 T662 G663 A668 L684F645-L660 HydrophobicContact CE1-CB 4.44Å; F645-L660 HydrophobicContact CE2-CD1 4.45Å; F645-L660 HydrophobicContact CZ-CB 4.04Å; F645-L660 HydrophobicContact CZ-CD1 3.83Å; V656-L660 HydrophobicContact CG1-CD1 4.39Å; V656-L660 WeakPolarHBondContact O-CG 3.3Å; V656-L660 PolarHBondContact O-N 2.86Å; D657-L660 PolarHBondContact O-N 3.38Å; L658-L660 VanDerWaalsContact C-N 3.34Å; L658-L660 PolarHBondContact O-N 3.25Å; L660-T662 VanDerWaalsContact C-N 3.25Å; L660-T662 PolarHBondContact O-N 2.85Å; L660-G663 PolarHBondContact O-N 3.13Å; L660-G663 VanDerWaalsContact O-N 3.08Å; L660-A668 HydrophobicContact CD2-CB 3.53Å; L660-A668 HydrophobicContact CG-CB 3.75Å; L660-L684 HydrophobicContact CD1-CD1 4.45Å; L660-L684 HydrophobicContact CD2-CD1 3.47Å; L660-L684 VanDerWaalsContact CD2-CD1 3.47Å; L660-L684 HydrophobicContact CD2-CD2 3.98Å; L660-L684 HydrophobicContact CD2-CG 4.38Å
661L85.1Confident84.3Confident27 Ų2758.1 Ų58.114%0.14130%0.3CS..Hα-helixtrans-65.3-28.3176.9-75.6165.4000113.2V538 T622 F645 M646 D657 L658 G663V538-L661 WeakPolarHBondContact CG1-O 3.46Å; T622-L661 HydrophobicContact CG2-CB 3.68Å; T622-L661 HydrophobicContact CG2-CD1 4.48Å; F645-L661 HydrophobicContact CD1-CD1 4.23Å; F645-L661 HydrophobicContact CD1-CD2 3.91Å; F645-L661 HydrophobicContact CD1-CG 3.93Å; F645-L661 HydrophobicContact CE1-CD1 4.25Å; F645-L661 HydrophobicContact CE1-CD2 4.29Å; F645-L661 HydrophobicContact CE1-CG 3.85Å; M646-L661 HydrophobicContact CE-CD1 3.37Å; M646-L661 HydrophobicContact CE-CD2 4.38Å; M646-L661 HydrophobicContact CE-CG 4.5Å; M646-L661 HydrophobicContact CG-CD1 3.97Å; D657-L661 WeakPolarHBondContact O-CB 3.45Å; D657-L661 WeakPolarHBondContact O-CD1 3.13Å; D657-L661 VanDerWaalsContact O-CG 3.26Å; D657-L661 WeakPolarHBondContact O-CG 3.14Å; D657-L661 PolarHBondContact O-N 2.93Å; L658-L661 PolarHBondContact O-N 3.37Å; L661-G663 VanDerWaalsContact C-N 3.31Å
662T83.8Confident85.3Confident32 Ų3252.1 Ų52.120%0.19627%0.267CS..THydrogen-bonded Turntrans-86.6-2.3175.853.10000113.2T622 L623 L658 C659 L660 D664T622-T662 HydrophobicContact CG2-CG2 3.96Å; L623-T662 HydrophobicContact CD2-CG2 3.99Å; L658-T662 WeakPolarHBondContact O-CB 3.42Å; L658-T662 VanDerWaalsContact O-CG2 3.31Å; L658-T662 WeakPolarHBondContact O-CG2 3.15Å; L658-T662 PolarHBondContact O-N 2.8Å; L658-T662 PolarHBondContact O-OG1 2.84Å; C659-T662 WeakPolarHBondContact CA-OG1 3.18Å; C659-T662 PolarHBondContact O-N 3.17Å; C659-T662 PolarHBondContact O-OG1 2.86Å; L660-T662 VanDerWaalsContact C-N 3.25Å; L660-T662 PolarHBondContact O-N 2.85Å; T662-D664 VanDerWaalsContact C-N 3.3Å
663G80.8Confident86.2Confident41 Ų4148.3 Ų48.342%0.42325%0.246SC..THydrogen-bonded Turntrans77.88.1-17800000114.6C659 L660 L661 V665C659-G663 PolarHBondContact O-N 3.01Å; C659-G663 VanDerWaalsContact O-N 3.16Å; L660-G663 PolarHBondContact O-N 3.13Å; L660-G663 VanDerWaalsContact O-N 3.08Å; L661-G663 VanDerWaalsContact C-N 3.31Å; G663-V665 VanDerWaalsContact C-N 3.29Å; G663-V665 PolarHBondContact O-N 3.28Å
664D83.8Confident86.9Confident49 Ų4951.9 Ų51.926%0.26226%0.264SS..  trans-86.469.4178.4-161.3-18.6000111C659 T662 E666 K667 A668C659-D664 PolarHBondContact O-N 2.87Å; T662-D664 VanDerWaalsContact C-N 3.3Å; D664-E666 VanDerWaalsContact C-N 3.27Å; D664-E666 PolarHBondContact O-N 2.56Å; D664-K667 HydrophobicContact CB-CB 4.42Å; D664-K667 PolarHBondContact O-N 2.77Å; D664-K667 WeakPolarHBondContact OD1-CG 3.45Å; D664-K667 PolarHBondContact OD1-N 2.78Å; D664-K667 VanDerWaalsContact OD2-CD 3.23Å; D664-K667 WeakPolarHBondContact OD2-CD 3.27Å; D664-K667 WeakPolarHBondContact OD2-CE 3.37Å; D664-K667 WeakPolarHBondContact OD2-CG 3.4Å; D664-K667 IonicContact OD2-NZ 3.88Å; D664-K667 PolarHBondContact OD2-NZ 2.82Å; D664-A668 PolarHBondContact O-N 2.81Å
665V86.7Confident87.3Confident46 Ų4651.9 Ų51.928%0.27926%0.264SS..Hα-helixtrans-59.4-38.3-178.1177.10000111.7G663 A668 E669 L684 L688G663-V665 VanDerWaalsContact C-N 3.29Å; G663-V665 PolarHBondContact O-N 3.28Å; V665-A668 PolarHBondContact O-N 2.79Å; V665-E669 WeakPolarHBondContact O-CB 3.3Å; V665-E669 PolarHBondContact O-N 2.93Å; V665-L684 HydrophobicContact CG1-CD2 4.26Å; V665-L688 HydrophobicContact CB-CD1 4.13Å; V665-L688 HydrophobicContact CG1-CD1 3.24Å; V665-L688 HydrophobicContact CG2-CD1 3.72Å
666E88.9Confident87.6Confident147 Ų14756.5 Ų56.569%0.68728%0.28SS*.Hα-helixtrans-64.6-43.5-178.3-68.2-174.1176.100111.4D664 E669 Q670D664-E666 VanDerWaalsContact C-N 3.27Å; D664-E666 PolarHBondContact O-N 2.56Å; E666-E669 PolarHBondContact O-N 3.36Å; E666-Q670 VanDerWaalsContact O-CG 3.31Å; E666-Q670 WeakPolarHBondContact O-CG 3.35Å; E666-Q670 PolarHBondContact O-N 2.86Å
667K88.9Confident87.8Confident112 Ų11259.2 Ų59.249%0.48729%0.294SS..Hα-helixtrans-67-38.7173.5-75.3-163.7-166.5113.90112.2C659 D664 Q670 L671C659-K667 HydrophobicContact CB-CB 4.47Å; D664-K667 HydrophobicContact CB-CB 4.42Å; D664-K667 PolarHBondContact O-N 2.77Å; D664-K667 WeakPolarHBondContact OD1-CG 3.45Å; D664-K667 PolarHBondContact OD1-N 2.78Å; D664-K667 VanDerWaalsContact OD2-CD 3.23Å; D664-K667 WeakPolarHBondContact OD2-CD 3.27Å; D664-K667 WeakPolarHBondContact OD2-CE 3.37Å; D664-K667 WeakPolarHBondContact OD2-CG 3.4Å; D664-K667 IonicContact OD2-NZ 3.88Å; D664-K667 PolarHBondContact OD2-NZ 2.82Å; K667-Q670 PolarHBondContact O-N 3.23Å; K667-L671 WeakPolarHBondContact O-CG 3.38Å; K667-L671 PolarHBondContact O-N 3.49Å
668A90.5Very high88.2Confident0 Ų059.6 Ų59.60%030%0.297CS..Hα-helixtrans-60.6-45.6176.200000111.6V656 C659 L660 D664 V665 Q670 L671 Y672 L684V656-A668 HydrophobicContact CG1-CB 3.94Å; C659-A668 HydrophobicContact CB-CB 3.83Å; L660-A668 HydrophobicContact CD2-CB 3.53Å; L660-A668 HydrophobicContact CG-CB 3.75Å; D664-A668 PolarHBondContact O-N 2.81Å; V665-A668 PolarHBondContact O-N 2.79Å; A668-Q670 PolarHBondContact O-N 3.5Å; A668-L671 PolarHBondContact O-N 3.42Å; A668-Y672 WeakPolarHBondContact O-CD2 3.45Å; A668-Y672 PolarHBondContact O-N 2.84Å; A668-L684 HydrophobicContact CB-CD2 4.27Å
669E93Very high88.6Confident14 Ų1459.4 Ų59.47%0.06530%0.296CS..Hα-helixtrans-57.5-48.6173.7-179.8-172.2112.300111V665 E666 L671 Y672 L673 A681 N685 R693 I697V665-E669 WeakPolarHBondContact O-CB 3.3Å; V665-E669 PolarHBondContact O-N 2.93Å; E666-E669 PolarHBondContact O-N 3.36Å; E669-L671 VanDerWaalsContact C-N 3.35Å; E669-L671 PolarHBondContact O-N 3.28Å; E669-Y672 PolarHBondContact O-N 3.47Å; E669-L673 HydrophobicContact CG-CD1 4.03Å; E669-L673 HydrophobicContact CG-CG 4.49Å; E669-L673 VanDerWaalsContact O-CG 3.31Å; E669-L673 WeakPolarHBondContact O-CG 3.17Å; E669-L673 PolarHBondContact O-N 2.8Å; E669-A681 HydrophobicContact CG-CB 4.5Å; E669-N685 PolarHBondContact OE2-ND2 3.24Å; E669-N685 PolarHBondContact OE2-OD1 3.3Å; E669-R693 IonicContact OE1-CZ 2.69Å; E669-R693 IonicContact OE1-NE 3.83Å; E669-R693 PolarHBondContact OE1-NE 2.03Å; E669-R693 VanDerWaalsContact OE1-NE 3.1Å; E669-R693 IonicContact OE1-NH2 2.8Å; E669-R693 PolarHBondContact OE1-NH2 2.92Å; E669-R693 IonicContact OE2-NE 2.64Å; E669-R693 PolarHBondContact OE2-NE 2.86Å; E669-I697 HydrophobicContact CG-CD1 4.1Å
670Q92.5Very high88.7Confident106 Ų10660.9 Ų60.950%0.49530%0.301SS..Hα-helixtrans-59.9-44.2179.5-74.8174.81300111.9E666 K667 A668 Y672 L673 E674E666-Q670 VanDerWaalsContact O-CG 3.31Å; E666-Q670 WeakPolarHBondContact O-CG 3.35Å; E666-Q670 PolarHBondContact O-N 2.86Å; K667-Q670 PolarHBondContact O-N 3.23Å; A668-Q670 PolarHBondContact O-N 3.5Å; Q670-Y672 PolarHBondContact O-N 3.4Å; Q670-L673 PolarHBondContact O-N 3.45Å; Q670-E674 WeakPolarHBondContact O-CG 3.33Å; Q670-E674 PolarHBondContact O-N 2.74Å
671L91.3Very high88.9Confident37 Ų3759 Ų5919%0.19429%0.291CS..Hα-helixtrans-63.8-39.7178.1-72169.4000112.3D655 V656 K667 A668 E669 L673 R675D655-L671 HydrophobicContact CB-CD1 4.31Å; V656-L671 HydrophobicContact CG2-CB 3.75Å; V656-L671 HydrophobicContact CG2-CD1 4.2Å; K667-L671 WeakPolarHBondContact O-CG 3.38Å; K667-L671 PolarHBondContact O-N 3.49Å; A668-L671 PolarHBondContact O-N 3.42Å; E669-L671 VanDerWaalsContact C-N 3.35Å; E669-L671 PolarHBondContact O-N 3.28Å; L671-L673 VanDerWaalsContact C-N 3.34Å; L671-R675 WeakPolarHBondContact O-CB 3.13Å; L671-R675 VanDerWaalsContact O-CG 3.25Å; L671-R675 WeakPolarHBondContact O-CG 3.37Å; L671-R675 PolarHBondContact O-N 3.45Å; L671-R675 VanDerWaalsContact O-N 3.09Å
672Y90.9Very high89.4Confident22 Ų2257.7 Ų57.79%0.08628%0.284CS..Hα-helixtrans-61.5-43.8173-78.3-52.3000111.7V656 A668 E669 Q670 R675 K676 L677 E680 L684V656-Y672 HydrophobicContact CB-CE1 4.41Å; V656-Y672 HydrophobicContact CG1-CD1 4.21Å; V656-Y672 HydrophobicContact CG1-CD2 3.84Å; V656-Y672 HydrophobicContact CG1-CE1 3.78Å; V656-Y672 HydrophobicContact CG1-CE2 3.39Å; V656-Y672 HydrophobicContact CG1-CG 4.22Å; V656-Y672 HydrophobicContact CG2-CE1 4.42Å; A668-Y672 WeakPolarHBondContact O-CD2 3.45Å; A668-Y672 PolarHBondContact O-N 2.84Å; E669-Y672 PolarHBondContact O-N 3.47Å; Q670-Y672 PolarHBondContact O-N 3.4Å; Y672-R675 CarbonylContact O-C 3.6Å; Y672-R675 PolarHBondContact O-N 2.84Å; Y672-K676 PolarHBondContact O-N 3.34Å; Y672-L677 HydrophobicContact CD1-CB 4.16Å; Y672-L677 HydrophobicContact CD1-CD1 4.31Å; Y672-L677 PolarHBondContact O-N 3.15Å; Y672-E680 HydrophobicContact CD1-CB 3.7Å; Y672-E680 HydrophobicContact CD1-CG 4.45Å; Y672-E680 HydrophobicContact CD2-CB 4.37Å; Y672-E680 HydrophobicContact CE1-CB 3.69Å; Y672-E680 HydrophobicContact CE1-CG 4.21Å; Y672-E680 HydrophobicContact CE2-CB 4.34Å; Y672-E680 HydrophobicContact CG-CB 4.07Å; Y672-L684 HydrophobicContact CD2-CD2 4.24Å; Y672-L684 HydrophobicContact CE2-CD2 4.16Å
673L91.9Very high89.8Confident49 Ų4956.3 Ų56.326%0.25728%0.275SS..Hα-helixtrans-66-41.6179.4-68.1174.5000112.4E669 Q670 L671 R675 K676 A681 I697E669-L673 HydrophobicContact CG-CD1 4.03Å; E669-L673 HydrophobicContact CG-CG 4.49Å; E669-L673 VanDerWaalsContact O-CG 3.31Å; E669-L673 WeakPolarHBondContact O-CG 3.17Å; E669-L673 PolarHBondContact O-N 2.8Å; Q670-L673 PolarHBondContact O-N 3.45Å; L671-L673 VanDerWaalsContact C-N 3.34Å; L673-R675 VanDerWaalsContact C-N 3.28Å; L673-R675 PolarHBondContact O-N 3.25Å; L673-K676 PolarHBondContact O-N 3.11Å; L673-A681 HydrophobicContact CD2-CB 3.92Å; L673-A681 HydrophobicContact CG-CB 4.13Å; L673-I697 HydrophobicContact CD2-CG2 3.92Å
674E91.1Very high90.3Very high144 Ų14455.2 Ų55.267%0.67326%0.26SS*.Hα-helixtrans-61.8-37.4175.6-75.6179177.500111.9Q670 K676Q670-E674 WeakPolarHBondContact O-CG 3.33Å; Q670-E674 PolarHBondContact O-N 2.74Å; E674-K676 PolarHBondContact O-N 2.8Å
675R88.9Confident90.7Very high86 Ų8653.2 Ų53.233%0.32525%0.249SC..THydrogen-bonded Turntrans-80.74.5176.5-65.3173.2-175.5-164.3-4.7113.4N652 D655 L671 Y672 L673 L677N652-R675 PolarHBondContact O-NH1 3.21Å; D655-R675 IonicContact OD2-NH2 2.84Å; D655-R675 PolarHBondContact OD2-NH2 2.91Å; L671-R675 WeakPolarHBondContact O-CB 3.13Å; L671-R675 VanDerWaalsContact O-CG 3.25Å; L671-R675 WeakPolarHBondContact O-CG 3.37Å; L671-R675 PolarHBondContact O-N 3.45Å; L671-R675 VanDerWaalsContact O-N 3.09Å; Y672-R675 CarbonylContact O-C 3.6Å; Y672-R675 PolarHBondContact O-N 2.84Å; L673-R675 VanDerWaalsContact C-N 3.28Å; L673-R675 PolarHBondContact O-N 3.25Å; R675-L677 HydrophobicContact CB-CD1 4.08Å; R675-L677 HydrophobicContact CB-CG 4.37Å; R675-L677 PolarHBondContact O-N 2.86Å
676K88.5Confident91Very high184 Ų18451.7 Ų51.780%0.824%0.239SC*.THydrogen-bonded Turntrans60.424.9-177.8-56.2-178.1178.71790114.2Y672 L673 E674 V678Y672-K676 PolarHBondContact O-N 3.34Å; L673-K676 PolarHBondContact O-N 3.11Å; E674-K676 PolarHBondContact O-N 2.8Å; K676-V678 VanDerWaalsContact C-N 3.32Å; K676-V678 PolarHBondContact O-N 2.82Å
677L87.8Confident91.1Very high58 Ų5849 Ų4930%0.30423%0.229SC..  trans-93.266.6176.4-66.2166.2000109.9F653 Y672 R675 L679 E680 A681F653-L677 HydrophobicContact CD1-CD1 4.29Å; F653-L677 HydrophobicContact CE1-CD1 3.28Å; F653-L677 HydrophobicContact CZ-CD1 3.86Å; Y672-L677 HydrophobicContact CD1-CB 4.16Å; Y672-L677 HydrophobicContact CD1-CD1 4.31Å; Y672-L677 PolarHBondContact O-N 3.15Å; R675-L677 HydrophobicContact CB-CD1 4.08Å; R675-L677 HydrophobicContact CB-CG 4.37Å; R675-L677 PolarHBondContact O-N 2.86Å; L677-L679 VanDerWaalsContact C-N 3.3Å; L677-L679 PolarHBondContact O-N 2.87Å; L677-E680 HydrophobicContact CB-CB 4.38Å; L677-E680 HydrophobicContact CB-CG 4.39Å; L677-E680 PolarHBondContact O-N 3.36Å; L677-A681 PolarHBondContact O-N 2.73Å
678V91.4Very high91.1Very high18 Ų1847.5 Ų47.511%0.10923%0.226CC..Hα-helixtrans-63.3-37.4-174.4-178.70000111.7K676 E680 A681 I682 I697 Q701 Y704K676-V678 VanDerWaalsContact C-N 3.32Å; K676-V678 PolarHBondContact O-N 2.82Å; V678-E680 PolarHBondContact O-N 3.28Å; V678-A681 PolarHBondContact O-N 2.84Å; V678-I682 HydrophobicContact CG1-CD1 3.83Å; V678-I682 HydrophobicContact CG1-CG1 4.39Å; V678-I682 WeakPolarHBondContact O-CG1 3.14Å; V678-I682 PolarHBondContact O-N 2.98Å; V678-I697 HydrophobicContact CG1-CG2 4.12Å; V678-Q701 HydrophobicContact CG1-CB 3.93Å; V678-Q701 HydrophobicContact CG1-CG 3.85Å; V678-Q701 HydrophobicContact CG2-CB 4.42Å; V678-Q701 HydrophobicContact CG2-CG 3.96Å; V678-Y704 HydrophobicContact CB-CE2 4.32Å; V678-Y704 HydrophobicContact CG1-CD2 4.22Å; V678-Y704 HydrophobicContact CG1-CE2 4.43Å
679L91.2Very high91.1Very high17 Ų1751.9 Ų51.99%0.08925%0.25CC..Hα-helixtrans-60.8-45.6179.1-177.863.4000111.5L677 I682 L683 Y704 L707 W745 A749L677-L679 VanDerWaalsContact C-N 3.3Å; L677-L679 PolarHBondContact O-N 2.87Å; L679-I682 PolarHBondContact O-N 3.13Å; L679-L683 HydrophobicContact CD1-CD1 4.16Å; L679-L683 HydrophobicContact CD1-CG 4.27Å; L679-L683 HydrophobicContact CG-CD1 3.93Å; L679-L683 HydrophobicContact CG-CG 4.42Å; L679-L683 WeakPolarHBondContact O-CB 3.42Å; L679-L683 VanDerWaalsContact O-CG 3.31Å; L679-L683 WeakPolarHBondContact O-CG 3.01Å; L679-L683 PolarHBondContact O-N 2.88Å; L679-Y704 HydrophobicContact CB-CE1 4.39Å; L679-Y704 HydrophobicContact CB-CE2 4.07Å; L679-Y704 HydrophobicContact CD1-CD1 3.85Å; L679-Y704 HydrophobicContact CD1-CE1 3.94Å; L679-Y704 HydrophobicContact CD1-CG 4.18Å; L679-L707 HydrophobicContact CD1-CD1 4.21Å; L679-L707 HydrophobicContact CD1-CD2 4.01Å; L679-W745 HydrophobicContact CD1-CB 4.42Å; L679-W745 HydrophobicContact CD2-CB 4.27Å; L679-A749 HydrophobicContact CD2-CB 4.18Å
680E89.3Confident91.1Very high50 Ų5053.9 Ų53.923%0.23426%0.264CS..Hα-helixtrans-65.5-40.7178.7-62.9-60.1163.200112.1Y672 L677 V678 I682 L683 L684Y672-E680 HydrophobicContact CD1-CB 3.7Å; Y672-E680 HydrophobicContact CD1-CG 4.45Å; Y672-E680 HydrophobicContact CD2-CB 4.37Å; Y672-E680 HydrophobicContact CE1-CB 3.69Å; Y672-E680 HydrophobicContact CE1-CG 4.21Å; Y672-E680 HydrophobicContact CE2-CB 4.34Å; Y672-E680 HydrophobicContact CG-CB 4.07Å; L677-E680 HydrophobicContact CB-CB 4.38Å; L677-E680 HydrophobicContact CB-CG 4.39Å; L677-E680 PolarHBondContact O-N 3.36Å; V678-E680 PolarHBondContact O-N 3.28Å; E680-I682 VanDerWaalsContact C-N 3.29Å; E680-I682 PolarHBondContact O-N 2.83Å; E680-L683 PolarHBondContact O-N 2.79Å; E680-L684 VanDerWaalsContact O-CB 3.3Å; E680-L684 WeakPolarHBondContact O-CB 3.24Å; E680-L684 PolarHBondContact O-N 3.16Å
681A91.7Very high91.1Very high0 Ų049.5 Ų49.50%024%0.243CC..Hα-helixtrans-61.6-37.2175.300000112.6E669 L673 L677 V678 N685E669-A681 HydrophobicContact CG-CB 4.5Å; L673-A681 HydrophobicContact CD2-CB 3.92Å; L673-A681 HydrophobicContact CG-CB 4.13Å; L677-A681 PolarHBondContact O-N 2.73Å; V678-A681 PolarHBondContact O-N 2.84Å; A681-N685 PolarHBondContact O-N 2.98Å; A681-N685 PolarHBondContact O-ND2 3.01Å
682I94Very high91.3Very high0 Ų050.8 Ų50.80%025%0.253CS..Hα-helixtrans-69.6-49.7176.3-72170000110.3V678 L679 E680 L684 N685 I686 A694 I697 A698 Y704 L707 V708V678-I682 HydrophobicContact CG1-CD1 3.83Å; V678-I682 HydrophobicContact CG1-CG1 4.39Å; V678-I682 WeakPolarHBondContact O-CG1 3.14Å; V678-I682 PolarHBondContact O-N 2.98Å; L679-I682 PolarHBondContact O-N 3.13Å; E680-I682 VanDerWaalsContact C-N 3.29Å; E680-I682 PolarHBondContact O-N 2.83Å; I682-L684 VanDerWaalsContact C-N 3.3Å; I682-L684 PolarHBondContact O-N 2.8Å; I682-N685 PolarHBondContact O-N 2.99Å; I682-N685 VanDerWaalsContact O-N 3.14Å; I682-I686 HydrophobicContact CG2-CD1 3.86Å; I682-I686 HydrophobicContact CG2-CG1 4.47Å; I682-I686 WeakPolarHBondContact O-CG1 3.2Å; I682-I686 PolarHBondContact O-N 2.83Å; I682-A694 HydrophobicContact CG2-CB 4.36Å; I682-I697 HydrophobicContact CD1-CG2 4.36Å; I682-I697 HydrophobicContact CG1-CB 4.2Å; I682-I697 HydrophobicContact CG1-CG2 3.82Å; I682-A698 HydrophobicContact CD1-CB 3.82Å; I682-Y704 HydrophobicContact CD1-CD2 4.02Å; I682-Y704 HydrophobicContact CD1-CG 4.32Å; I682-L707 HydrophobicContact CG2-CD2 4.02Å; I682-V708 HydrophobicContact CG2-CG2 3.36Å
683L92.5Very high91.4Very high2 Ų254.7 Ų54.71%0.0127%0.268CS..Hα-helixtrans-62.8-37.1-178.8-71.1174.8000111.9L679 E680 N685 I686 D687 L707 L711 L746 A749L679-L683 HydrophobicContact CD1-CD1 4.16Å; L679-L683 HydrophobicContact CD1-CG 4.27Å; L679-L683 HydrophobicContact CG-CD1 3.93Å; L679-L683 HydrophobicContact CG-CG 4.42Å; L679-L683 WeakPolarHBondContact O-CB 3.42Å; L679-L683 VanDerWaalsContact O-CG 3.31Å; L679-L683 WeakPolarHBondContact O-CG 3.01Å; L679-L683 PolarHBondContact O-N 2.88Å; E680-L683 PolarHBondContact O-N 2.79Å; L683-N685 PolarHBondContact O-N 3.49Å; L683-I686 HydrophobicContact CD2-CD1 4.49Å; L683-I686 PolarHBondContact O-N 2.77Å; L683-D687 PolarHBondContact O-N 2.78Å; L683-L707 HydrophobicContact CD2-CD2 4.21Å; L683-L711 HydrophobicContact CD2-CD1 4.2Å; L683-L746 HydrophobicContact CD2-CD2 3.97Å; L683-A749 HydrophobicContact CD1-CB 3.66Å
684L90.9Very high91.5Very high18 Ų1852.4 Ų52.49%0.09426%0.256CS..Hα-helixtrans-56.2-48.5171.9174.865000111.7L660 V665 A668 Y672 E680 I682 I686 D687 L688L660-L684 HydrophobicContact CD1-CD1 4.45Å; L660-L684 HydrophobicContact CD2-CD1 3.47Å; L660-L684 VanDerWaalsContact CD2-CD1 3.47Å; L660-L684 HydrophobicContact CD2-CD2 3.98Å; L660-L684 HydrophobicContact CD2-CG 4.38Å; V665-L684 HydrophobicContact CG1-CD2 4.26Å; A668-L684 HydrophobicContact CB-CD2 4.27Å; Y672-L684 HydrophobicContact CD2-CD2 4.24Å; Y672-L684 HydrophobicContact CE2-CD2 4.16Å; E680-L684 VanDerWaalsContact O-CB 3.3Å; E680-L684 WeakPolarHBondContact O-CB 3.24Å; E680-L684 PolarHBondContact O-N 3.16Å; I682-L684 VanDerWaalsContact C-N 3.3Å; I682-L684 PolarHBondContact O-N 2.8Å; L684-I686 VanDerWaalsContact C-N 3.31Å; L684-I686 PolarHBondContact O-N 2.82Å; L684-D687 PolarHBondContact O-N 2.87Å; L684-L688 HydrophobicContact CD1-CD1 3.98Å; L684-L688 HydrophobicContact CD1-CG 4.47Å; L684-L688 HydrophobicContact CG-CD1 4.16Å; L684-L688 VanDerWaalsContact O-CG 3.32Å; L684-L688 WeakPolarHBondContact O-CG 3.09Å; L684-L688 PolarHBondContact O-N 2.91Å; L684-L688 VanDerWaalsContact O-N 3.13Å
685N93.4Very high91.7Very high7 Ų745.7 Ų45.74%0.03723%0.225CC..Hα-helixtrans-67-33.5178.9-84.1-76.5000112.4E669 A681 I682 L683 L688 N689 C690 R693 A694 I697E669-N685 PolarHBondContact OE2-ND2 3.24Å; E669-N685 PolarHBondContact OE2-OD1 3.3Å; A681-N685 PolarHBondContact O-N 2.98Å; A681-N685 PolarHBondContact O-ND2 3.01Å; I682-N685 PolarHBondContact O-N 2.99Å; I682-N685 VanDerWaalsContact O-N 3.14Å; L683-N685 PolarHBondContact O-N 3.49Å; N685-L688 PolarHBondContact O-N 3.02Å; N685-N689 PolarHBondContact O-N 3.09Å; N685-C690 HydrophobicContact CB-CB 4.18Å; N685-C690 WeakPolarHBondContact O-CA 3.3Å; N685-C690 WeakPolarHBondContact O-CB 3.26Å; N685-C690 PolarHBondContact O-N 2.94Å; N685-R693 VanDerWaalsContact OD1-CG 3.3Å; N685-R693 WeakPolarHBondContact OD1-CG 3.39Å; N685-A694 HydrophobicContact CB-CB 3.8Å; N685-I697 WeakPolarHBondContact ND2-CD1 3.32Å
686I93.2Very high92Very high15 Ų1545.4 Ų45.48%0.07723%0.227CC..Hα-helixtrans-65.1-46175.2-69.3172.9000110.4I682 L683 L684 L688 N689 W691 A694 L707 V708 L711I682-I686 HydrophobicContact CG2-CD1 3.86Å; I682-I686 HydrophobicContact CG2-CG1 4.47Å; I682-I686 WeakPolarHBondContact O-CG1 3.2Å; I682-I686 PolarHBondContact O-N 2.83Å; L683-I686 HydrophobicContact CD2-CD1 4.49Å; L683-I686 PolarHBondContact O-N 2.77Å; L684-I686 VanDerWaalsContact C-N 3.31Å; L684-I686 PolarHBondContact O-N 2.82Å; I686-L688 PolarHBondContact O-N 2.6Å; I686-N689 WeakPolarHBondContact O-CA 3.42Å; I686-N689 PolarHBondContact O-N 3.02Å; I686-W691 HydrophobicContact CD1-CZ3 4.41Å; I686-W691 HydrophobicContact CG1-CE3 4.31Å; I686-W691 HydrophobicContact CG1-CZ3 4.11Å; I686-W691 HydrophobicContact CG2-CH2 3.68Å; I686-W691 HydrophobicContact CG2-CZ2 4.14Å; I686-W691 HydrophobicContact CG2-CZ3 3.96Å; I686-A694 HydrophobicContact CG1-CB 3.87Å; I686-L707 HydrophobicContact CD1-CD2 4.42Å; I686-V708 HydrophobicContact CD1-CG2 4.35Å; I686-L711 HydrophobicContact CD1-CD1 3.74Å
687D89.5Confident92.2Very high90 Ų9037.1 Ų37.148%0.48119%0.191SC..Hα-helixtrans-61.5-36.1178.4-68.7-13.6000112.7L683 L684 N689 R751L683-D687 PolarHBondContact O-N 2.78Å; L684-D687 PolarHBondContact O-N 2.87Å; D687-N689 PolarHBondContact O-N 2.91Å; D687-R751 IonicContact OD1-CZ 3.97Å; D687-R751 IonicContact OD1-NH1 3.47Å; D687-R751 PolarHBondContact OD1-NH1 3.39Å; D687-R751 IonicContact OD1-NH2 3Å; D687-R751 IonicContact OD2-CZ 3.54Å; D687-R751 IonicContact OD2-NH1 2.67Å; D687-R751 PolarHBondContact OD2-NH1 2.97Å; D687-R751 IonicContact OD2-NH2 2.9Å; D687-R751 PolarHBondContact OD2-NH2 2.85Å
688L89Confident92.5Very high80 Ų8034.3 Ų34.342%0.41918%0.176SC..THydrogen-bonded Turntrans-805.3176-63.2173.9000113V665 L684 N685 I686 C690V665-L688 HydrophobicContact CB-CD1 4.13Å; V665-L688 HydrophobicContact CG1-CD1 3.24Å; V665-L688 HydrophobicContact CG2-CD1 3.72Å; L684-L688 HydrophobicContact CD1-CD1 3.98Å; L684-L688 HydrophobicContact CD1-CG 4.47Å; L684-L688 HydrophobicContact CG-CD1 4.16Å; L684-L688 VanDerWaalsContact O-CG 3.32Å; L684-L688 WeakPolarHBondContact O-CG 3.09Å; L684-L688 PolarHBondContact O-N 2.91Å; L684-L688 VanDerWaalsContact O-N 3.13Å; N685-L688 PolarHBondContact O-N 3.02Å; I686-L688 PolarHBondContact O-N 2.6Å; L688-C690 PolarHBondContact O-N 2.5Å
689N91.1Very high92.6Very high92 Ų9236.4 Ų36.449%0.49219%0.191SC..THydrogen-bonded Turntrans5822.6-175.9-71.3-61.2000114.7N685 I686 D687 W691N685-N689 PolarHBondContact O-N 3.09Å; I686-N689 WeakPolarHBondContact O-CA 3.42Å; I686-N689 PolarHBondContact O-N 3.02Å; D687-N689 PolarHBondContact O-N 2.91Å; N689-W691 VanDerWaalsContact O-CD1 3.24Å; N689-W691 PolarHBondContact O-N 3.05Å; N689-W691 VanDerWaalsContact O-N 3.09Å; N689-W691 PolarHBondContact OD1-NE1 3.23Å
690C92.2Very high92.7Very high56 Ų5644.1 Ų44.138%0.37822%0.224SC..  trans-85.155.7174.7-69.80000111.6N685 L688 T692 R693 A694N685-C690 HydrophobicContact CB-CB 4.18Å; N685-C690 WeakPolarHBondContact O-CA 3.3Å; N685-C690 WeakPolarHBondContact O-CB 3.26Å; N685-C690 PolarHBondContact O-N 2.94Å; L688-C690 PolarHBondContact O-N 2.5Å; C690-T692 VanDerWaalsContact C-N 3.31Å; C690-T692 PolarHBondContact O-N 3.39Å; C690-R693 HydrophobicContact CB-CB 4.21Å; C690-R693 PolarHBondContact O-N 2.9Å; C690-A694 PolarHBondContact O-N 3.17Å
691W94.3Very high92.7Very high14 Ų1446.3 Ų46.35%0.05323%0.234CC..Hα-helixtrans-55.6-39-173.2-66.395.4000114.5I686 N689 R693 A694 L695 L711 R712 Y715 I725 F728I686-W691 HydrophobicContact CD1-CZ3 4.41Å; I686-W691 HydrophobicContact CG1-CE3 4.31Å; I686-W691 HydrophobicContact CG1-CZ3 4.11Å; I686-W691 HydrophobicContact CG2-CH2 3.68Å; I686-W691 HydrophobicContact CG2-CZ2 4.14Å; I686-W691 HydrophobicContact CG2-CZ3 3.96Å; N689-W691 VanDerWaalsContact O-CD1 3.24Å; N689-W691 PolarHBondContact O-N 3.05Å; N689-W691 VanDerWaalsContact O-N 3.09Å; N689-W691 PolarHBondContact OD1-NE1 3.23Å; W691-R693 VanDerWaalsContact C-N 3.34Å; W691-R693 PolarHBondContact O-N 2.89Å; W691-A694 PolarHBondContact O-N 3.25Å; W691-L695 WeakPolarHBondContact O-CB 2.92Å; W691-L695 PolarHBondContact O-N 3.46Å; W691-L711 HydrophobicContact CH2-CB 4.24Å; W691-L711 HydrophobicContact CZ3-CB 4.15Å; W691-R712 HydrophobicContact CE3-CB 3.77Å; W691-R712 HydrophobicContact CE3-CG 4.25Å; W691-R712 HydrophobicContact CH2-CB 4.35Å; W691-R712 VanDerWaalsContact CZ3-CA 3.43Å; W691-R712 HydrophobicContact CZ3-CB 3.65Å; W691-Y715 HydrophobicContact CH2-CG 4.29Å; W691-Y715 AromaticContact CZ2-CD1 3.99Å; W691-Y715 HydrophobicContact CZ2-CD1 3.99Å; W691-Y715 AromaticContact CZ2-CD2 3.93Å; W691-Y715 HydrophobicContact CZ2-CD2 3.93Å; W691-Y715 AromaticContact CZ2-CG 3.56Å; W691-Y715 HydrophobicContact CZ2-CG 3.56Å; W691-I725 HydrophobicContact CB-CD1 4.05Å; W691-F728 HydrophobicContact CB-CE2 4.12Å; W691-F728 HydrophobicContact CB-CZ 4.28Å
692T94Very high92.6Very high65 Ų6555.5 Ų55.540%0.39927%0.274SS..Hα-helixtrans-63.4-40.8177.245.90000112C690 E696 I725C690-T692 VanDerWaalsContact C-N 3.31Å; C690-T692 PolarHBondContact O-N 3.39Å; T692-E696 WeakPolarHBondContact O-CG 3.5Å; T692-E696 PolarHBondContact O-N 3.3Å; T692-I725 HydrophobicContact CG2-CD1 4.08Å; T692-I725 HydrophobicContact CG2-CG2 3.87Å
693R93.8Very high92.3Very high104 Ų10457.2 Ų57.239%0.39229%0.286SS..Hα-helixtrans-71.1-43.1179-176.857177.4-174.4-3.6111.5E669 N685 C690 W691 L695 E696 I697E669-R693 IonicContact OE1-CZ 2.69Å; E669-R693 IonicContact OE1-NE 3.83Å; E669-R693 PolarHBondContact OE1-NE 2.03Å; E669-R693 VanDerWaalsContact OE1-NE 3.1Å; E669-R693 IonicContact OE1-NH2 2.8Å; E669-R693 PolarHBondContact OE1-NH2 2.92Å; E669-R693 IonicContact OE2-NE 2.64Å; E669-R693 PolarHBondContact OE2-NE 2.86Å; N685-R693 VanDerWaalsContact OD1-CG 3.3Å; N685-R693 WeakPolarHBondContact OD1-CG 3.39Å; C690-R693 HydrophobicContact CB-CB 4.21Å; C690-R693 PolarHBondContact O-N 2.9Å; W691-R693 VanDerWaalsContact C-N 3.34Å; W691-R693 PolarHBondContact O-N 2.89Å; R693-L695 VanDerWaalsContact C-N 3.28Å; R693-L695 PolarHBondContact O-N 3.37Å; R693-E696 IonicContact NH1-OE2 3.02Å; R693-E696 PolarHBondContact O-N 2.85Å; R693-I697 HydrophobicContact CG-CD1 4.21Å; R693-I697 WeakPolarHBondContact O-CG1 3.41Å; R693-I697 PolarHBondContact O-N 2.89Å
694A94.8Very high92.3Very high0 Ų060.2 Ų60.20%030%0.298CS..Hα-helixtrans-54.9-46.1173.900000111.4I682 N685 I686 C690 W691 I697 A698 V708I682-A694 HydrophobicContact CG2-CB 4.36Å; N685-A694 HydrophobicContact CB-CB 3.8Å; I686-A694 HydrophobicContact CG1-CB 3.87Å; C690-A694 PolarHBondContact O-N 3.17Å; W691-A694 PolarHBondContact O-N 3.25Å; A694-I697 PolarHBondContact O-N 2.81Å; A694-A698 PolarHBondContact O-N 2.9Å; A694-A698 VanDerWaalsContact O-N 3.08Å; A694-V708 HydrophobicContact CB-CG1 4.14Å; A694-V708 HydrophobicContact CB-CG2 4.48Å
695L94.4Very high92.3Very high4 Ų460.8 Ų60.82%0.02130%0.302CS..Hα-helixtrans-65.3-41.9178-170.971.2000112.2W691 R693 I697 A698 C699 V705 V708 K727 F728 L731W691-L695 WeakPolarHBondContact O-CB 2.92Å; W691-L695 PolarHBondContact O-N 3.46Å; R693-L695 VanDerWaalsContact C-N 3.28Å; R693-L695 PolarHBondContact O-N 3.37Å; L695-I697 VanDerWaalsContact C-N 3.33Å; L695-I697 PolarHBondContact O-N 3.32Å; L695-A698 PolarHBondContact O-N 3.43Å; L695-C699 WeakPolarHBondContact O-CB 3.16Å; L695-C699 PolarHBondContact O-N 2.87Å; L695-C699 PolarHBondContact O-SG 2.98Å; L695-C699 VanDerWaalsContact O-SG 3.33Å; L695-V705 HydrophobicContact CD1-CG1 4.41Å; L695-V708 HydrophobicContact CB-CG1 4.2Å; L695-V708 HydrophobicContact CD1-CB 4.42Å; L695-V708 HydrophobicContact CD1-CG1 4.13Å; L695-K727 HydrophobicContact CD2-CB 3.74Å; L695-K727 HydrophobicContact CD2-CD 4.46Å; L695-F728 HydrophobicContact CB-CE2 4.16Å; L695-F728 HydrophobicContact CB-CZ 3.95Å; L695-F728 HydrophobicContact CD1-CE1 4.15Å; L695-F728 HydrophobicContact CD1-CZ 4.17Å; L695-F728 HydrophobicContact CD2-CD2 4.06Å; L695-F728 HydrophobicContact CD2-CE1 4.45Å; L695-F728 HydrophobicContact CD2-CE2 3.87Å; L695-F728 HydrophobicContact CD2-CG 4.45Å; L695-F728 HydrophobicContact CD2-CZ 4.08Å; L695-F728 HydrophobicContact CG-CE2 4.49Å; L695-F728 HydrophobicContact CG-CZ 4.29Å; L695-L731 HydrophobicContact CD1-CD1 3.67Å; L695-L731 HydrophobicContact CD2-CD1 3.85Å; L695-L731 HydrophobicContact CG-CD1 4.28Å
696E94.3Very high92.2Very high80 Ų8061.4 Ų61.437%0.37431%0.307SS..Hα-helixtrans-59.8-42.4176.6-80.3177.3-177.100112.6T692 R693 K700 K727T692-E696 WeakPolarHBondContact O-CG 3.5Å; T692-E696 PolarHBondContact O-N 3.3Å; R693-E696 IonicContact NH1-OE2 3.02Å; R693-E696 PolarHBondContact O-N 2.85Å; E696-K700 WeakPolarHBondContact O-CB 3.19Å; E696-K700 PolarHBondContact O-N 3.1Å; E696-K727 IonicContact OE1-NZ 2.61Å; E696-K727 PolarHBondContact OE1-NZ 2.85Å
697I93.9Very high92.2Very high9 Ų960.7 Ų60.75%0.04630%0.303CS..Hα-helixtrans-63.7-46.7177.2-65.3168000110E669 L673 V678 I682 N685 R693 A694 L695 K700 Q701E669-I697 HydrophobicContact CG-CD1 4.1Å; L673-I697 HydrophobicContact CD2-CG2 3.92Å; V678-I697 HydrophobicContact CG1-CG2 4.12Å; I682-I697 HydrophobicContact CD1-CG2 4.36Å; I682-I697 HydrophobicContact CG1-CB 4.2Å; I682-I697 HydrophobicContact CG1-CG2 3.82Å; N685-I697 WeakPolarHBondContact ND2-CD1 3.32Å; R693-I697 HydrophobicContact CG-CD1 4.21Å; R693-I697 WeakPolarHBondContact O-CG1 3.41Å; R693-I697 PolarHBondContact O-N 2.89Å; A694-I697 PolarHBondContact O-N 2.81Å; L695-I697 VanDerWaalsContact C-N 3.33Å; L695-I697 PolarHBondContact O-N 3.32Å; I697-K700 PolarHBondContact O-N 3.29Å; I697-Q701 WeakPolarHBondContact O-CB 3.44Å; I697-Q701 PolarHBondContact O-N 3.24Å
698A94Very high92.4Very high0 Ų056.4 Ų56.40%028%0.281CS..Hα-helixtrans-59.7-47.9178.600000112.2I682 A694 L695 K700 Q701 K702 S703 V705 V708I682-A698 HydrophobicContact CD1-CB 3.82Å; A694-A698 PolarHBondContact O-N 2.9Å; A694-A698 VanDerWaalsContact O-N 3.08Å; L695-A698 PolarHBondContact O-N 3.43Å; A698-K700 PolarHBondContact O-N 3.49Å; A698-Q701 PolarHBondContact O-N 2.77Å; A698-K702 WeakPolarHBondContact O-CA 3.26Å; A698-K702 PolarHBondContact O-N 3.37Å; A698-S703 CarbonylContact C-O 3.54Å; A698-S703 VanDerWaalsContact CA-O 3.25Å; A698-S703 WeakPolarHBondContact CA-O 3.35Å; A698-S703 WeakPolarHBondContact CB-O 3.41Å; A698-S703 PolarHBondContact O-N 2.77Å; A698-S703 VanDerWaalsContact O-N 3.11Å; A698-V705 HydrophobicContact CB-CG2 4Å; A698-V708 HydrophobicContact CB-CG2 3.96Å
699C92.3Very high92.6Very high62 Ų6253.1 Ų53.142%0.41926%0.263SS..Hα-helixtrans-64.2-41.3177.5-69.40000112L695 K702L695-C699 WeakPolarHBondContact O-CB 3.16Å; L695-C699 PolarHBondContact O-N 2.87Å; L695-C699 PolarHBondContact O-SG 2.98Å; L695-C699 VanDerWaalsContact O-SG 3.33Å; C699-K702 PolarHBondContact O-N 3.18Å
700K93.4Very high92.6Very high179 Ų17948.7 Ų48.778%0.77824%0.239SC*.Hα-helixtrans-66.1-38.9-179.5-170.3176.8-178.5-1780112.2E696 I697 A698 K702E696-K700 WeakPolarHBondContact O-CB 3.19Å; E696-K700 PolarHBondContact O-N 3.1Å; I697-K700 PolarHBondContact O-N 3.29Å; A698-K700 PolarHBondContact O-N 3.49Å; K700-K702 VanDerWaalsContact C-N 3.32Å
701Q90.2Very high92.7Very high96 Ų9647.3 Ų47.345%0.44923%0.228SC..Hα-helixtrans-87.7-1.2177-64.3-68.2-2.900113.2V678 I697 A698 S703V678-Q701 HydrophobicContact CG1-CB 3.93Å; V678-Q701 HydrophobicContact CG1-CG 3.85Å; V678-Q701 HydrophobicContact CG2-CB 4.42Å; V678-Q701 HydrophobicContact CG2-CG 3.96Å; I697-Q701 WeakPolarHBondContact O-CB 3.44Å; I697-Q701 PolarHBondContact O-N 3.24Å; A698-Q701 PolarHBondContact O-N 2.77Å; Q701-S703 WeakPolarHBondContact CB-OG 3.35Å; Q701-S703 PolarHBondContact O-N 3.18Å; Q701-S703 VanDerWaalsContact O-N 3.14Å; Q701-S703 PolarHBondContact O-OG 2.66Å
702K89.1Confident92.6Very high193 Ų19347.3 Ų47.384%0.83923%0.228SC*.THydrogen-bonded Turntrans47.738.2-175.9-59.1-176.2179.2-176.50112.9A698 C699 K700A698-K702 WeakPolarHBondContact O-CA 3.26Å; A698-K702 PolarHBondContact O-N 3.37Å; C699-K702 PolarHBondContact O-N 3.18Å; K700-K702 VanDerWaalsContact C-N 3.32Å
703S88.5Confident92.5Very high36 Ų3647.4 Ų47.425%0.25222%0.224SC..  trans-142.7148.8-177.445.30000110.2A698 Q701 V705A698-S703 CarbonylContact C-O 3.54Å; A698-S703 VanDerWaalsContact CA-O 3.25Å; A698-S703 WeakPolarHBondContact CA-O 3.35Å; A698-S703 WeakPolarHBondContact CB-O 3.41Å; A698-S703 PolarHBondContact O-N 2.77Å; A698-S703 VanDerWaalsContact O-N 3.11Å; Q701-S703 WeakPolarHBondContact CB-OG 3.35Å; Q701-S703 PolarHBondContact O-N 3.18Å; Q701-S703 VanDerWaalsContact O-N 3.14Å; Q701-S703 PolarHBondContact O-OG 2.66Å; S703-V705 PolarHBondContact O-N 3.25Å; S703-V705 VanDerWaalsContact O-N 3.17Å
704Y91.5Very high92.4Very high64 Ų6447.6 Ų47.625%0.25122%0.224SC..SBendtrans60.420.1176.6-48.1-71.8000116.2V678 L679 I682 S706 L707 V708 W745V678-Y704 HydrophobicContact CB-CE2 4.32Å; V678-Y704 HydrophobicContact CG1-CD2 4.22Å; V678-Y704 HydrophobicContact CG1-CE2 4.43Å; L679-Y704 HydrophobicContact CB-CE1 4.39Å; L679-Y704 HydrophobicContact CB-CE2 4.07Å; L679-Y704 HydrophobicContact CD1-CD1 3.85Å; L679-Y704 HydrophobicContact CD1-CE1 3.94Å; L679-Y704 HydrophobicContact CD1-CG 4.18Å; I682-Y704 HydrophobicContact CD1-CD2 4.02Å; I682-Y704 HydrophobicContact CD1-CG 4.32Å; Y704-S706 VanDerWaalsContact C-N 3.33Å; Y704-S706 PolarHBondContact O-N 2.84Å; Y704-L707 WeakPolarHBondContact O-CB 3.41Å; Y704-L707 PolarHBondContact O-N 3.22Å; Y704-V708 PolarHBondContact O-N 2.81Å; Y704-V708 VanDerWaalsContact O-N 3.12Å; Y704-W745 AromaticContact CD1-CD2 3.7Å; Y704-W745 HydrophobicContact CD1-CD2 3.7Å; Y704-W745 AromaticContact CD1-CE2 3.74Å; Y704-W745 AromaticContact CD1-CE3 3.94Å; Y704-W745 HydrophobicContact CD1-CE3 3.94Å; Y704-W745 HydrophobicContact CD1-CG 4.18Å; Y704-W745 HydrophobicContact CD1-CH2 4.21Å; Y704-W745 AromaticContact CD1-CZ2 3.98Å; Y704-W745 HydrophobicContact CD1-CZ2 3.98Å; Y704-W745 HydrophobicContact CD1-CZ3 4.2Å; Y704-W745 AromaticContact CE1-CD1 3.87Å; Y704-W745 AromaticContact CE1-CD2 3.83Å; Y704-W745 HydrophobicContact CE1-CD2 3.83Å; Y704-W745 AromaticContact CE1-CE2 3.66Å; Y704-W745 AromaticContact CE1-CG 3.94Å; Y704-W745 HydrophobicContact CE1-CG 3.94Å; Y704-W745 HydrophobicContact CE1-CZ2 4.19Å; Y704-W745 AromaticContact CE1-NE1 3.72Å
705V91.8Very high92.3Very high30 Ų3051.8 Ų51.818%0.18224%0.241CC..Hα-helixtrans-62.9-41.7176.6-179.10000111L695 A698 S703 L707 V708 F709 L731 V735L695-V705 HydrophobicContact CD1-CG1 4.41Å; A698-V705 HydrophobicContact CB-CG2 4Å; S703-V705 PolarHBondContact O-N 3.25Å; S703-V705 VanDerWaalsContact O-N 3.17Å; V705-L707 VanDerWaalsContact C-N 3.31Å; V705-L707 PolarHBondContact O-N 3.26Å; V705-V708 PolarHBondContact O-N 3.31Å; V705-F709 VanDerWaalsContact O-CB 3.31Å; V705-F709 WeakPolarHBondContact O-CB 2.93Å; V705-F709 PolarHBondContact O-N 2.89Å; V705-L731 HydrophobicContact CG1-CD1 4.46Å; V705-L731 HydrophobicContact CG1-CD2 4.46Å; V705-V735 HydrophobicContact CG1-CG2 4.22Å
706S91.3Very high92.3Very high21 Ų2152.6 Ų52.615%0.14725%0.245CC..Hα-helixtrans-61.8-36.1174.652.60000112.7Y704 G710 W745Y704-S706 VanDerWaalsContact C-N 3.33Å; Y704-S706 PolarHBondContact O-N 2.84Å; S706-G710 PolarHBondContact O-N 3.21Å; S706-W745 WeakPolarHBondContact OG-CH2 3.28Å; S706-W745 WeakPolarHBondContact OG-CZ3 3.24Å
707L92.8Very high92.2Very high0 Ų055.1 Ų55.10%026%0.26CS..Hα-helixtrans-62.7-53174.5179.1118.5000111.6L679 I682 L683 I686 Y704 V705 F709 G710 L711 I742 W745L679-L707 HydrophobicContact CD1-CD1 4.21Å; L679-L707 HydrophobicContact CD1-CD2 4.01Å; I682-L707 HydrophobicContact CG2-CD2 4.02Å; L683-L707 HydrophobicContact CD2-CD2 4.21Å; I686-L707 HydrophobicContact CD1-CD2 4.42Å; Y704-L707 WeakPolarHBondContact O-CB 3.41Å; Y704-L707 PolarHBondContact O-N 3.22Å; V705-L707 VanDerWaalsContact C-N 3.31Å; V705-L707 PolarHBondContact O-N 3.26Å; L707-F709 VanDerWaalsContact C-N 3.29Å; L707-F709 PolarHBondContact O-N 2.97Å; L707-G710 PolarHBondContact O-N 3.16Å; L707-L711 HydrophobicContact CD1-CD1 4.42Å; L707-L711 HydrophobicContact CD2-CD1 4.01Å; L707-L711 HydrophobicContact CG-CD1 3.87Å; L707-L711 HydrophobicContact CG-CG 4.49Å; L707-L711 WeakPolarHBondContact O-CB 3.47Å; L707-L711 WeakPolarHBondContact O-CG 3.24Å; L707-L711 PolarHBondContact O-N 3.28Å; L707-I742 HydrophobicContact CB-CG1 4.48Å; L707-I742 HydrophobicContact CD1-CG2 4.17Å; L707-W745 HydrophobicContact CB-CE3 3.68Å; L707-W745 HydrophobicContact CB-CZ3 3.69Å; L707-W745 HydrophobicContact CD1-CB 3.89Å; L707-W745 HydrophobicContact CD1-CD2 4.32Å; L707-W745 HydrophobicContact CD1-CE3 3.59Å; L707-W745 HydrophobicContact CD1-CZ3 4.47Å; L707-W745 HydrophobicContact CG-CE3 4.25Å
708V93.4Very high92.2Very high0 Ų060.8 Ų60.80%029%0.286CS..Hα-helixtrans-61.4-42.8-179.2-178.30000110.5I682 I686 A694 L695 A698 Y704 V705 R712 F728I682-V708 HydrophobicContact CG2-CG2 3.36Å; I686-V708 HydrophobicContact CD1-CG2 4.35Å; A694-V708 HydrophobicContact CB-CG1 4.14Å; A694-V708 HydrophobicContact CB-CG2 4.48Å; L695-V708 HydrophobicContact CB-CG1 4.2Å; L695-V708 HydrophobicContact CD1-CB 4.42Å; L695-V708 HydrophobicContact CD1-CG1 4.13Å; A698-V708 HydrophobicContact CB-CG2 3.96Å; Y704-V708 PolarHBondContact O-N 2.81Å; Y704-V708 VanDerWaalsContact O-N 3.12Å; V705-V708 PolarHBondContact O-N 3.31Å; V708-R712 VanDerWaalsContact O-CB 3.3Å; V708-R712 WeakPolarHBondContact O-CB 3.46Å; V708-R712 PolarHBondContact O-N 3.11Å; V708-F728 HydrophobicContact CG1-CE1 3.99Å; V708-F728 HydrophobicContact CG1-CZ 3.79Å
709F92.8Very high92Very high10 Ų1062.8 Ų62.84%0.04430%0.3CS..Hα-helixtrans-64.5-47.9178.9-167.5-101.5000112.2V705 L707 R712 Q713 F728 L731 E732 V737V705-F709 VanDerWaalsContact O-CB 3.31Å; V705-F709 WeakPolarHBondContact O-CB 2.93Å; V705-F709 PolarHBondContact O-N 2.89Å; L707-F709 VanDerWaalsContact C-N 3.29Å; L707-F709 PolarHBondContact O-N 2.97Å; F709-R712 WeakPolarHBondContact O-CB 3.46Å; F709-R712 PolarHBondContact O-N 2.78Å; F709-Q713 HydrophobicContact CE1-CG 4.3Å; F709-Q713 PolarHBondContact O-N 3.39Å; F709-F728 AromaticContact CD2-CD1 3.71Å; F709-F728 HydrophobicContact CD2-CD1 3.71Å; F709-F728 HydrophobicContact CD2-CE1 4.39Å; F709-F728 HydrophobicContact CE2-CB 4.46Å; F709-F728 HydrophobicContact CE2-CD1 4.19Å; F709-F728 WeakPolarHBondContact CE2-O 3.36Å; F709-L731 HydrophobicContact CD2-CB 3.89Å; F709-L731 HydrophobicContact CD2-CD1 4.41Å; F709-L731 HydrophobicContact CE2-CB 3.79Å; F709-E732 HydrophobicContact CZ-CB 4.26Å; F709-E732 HydrophobicContact CZ-CG 4.37Å; F709-V737 HydrophobicContact CD1-CG2 3.7Å; F709-V737 HydrophobicContact CE1-CG2 4.3Å
710G91.8Very high92Very high0 Ų068.6 Ų68.60%032%0.321CS..Hα-helixtrans-62.9-47.5177.800000112.7S706 L707 R712 Q713 R714 W739S706-G710 PolarHBondContact O-N 3.21Å; L707-G710 PolarHBondContact O-N 3.16Å; G710-R712 VanDerWaalsContact C-N 3.25Å; G710-R712 PolarHBondContact O-N 3.25Å; G710-Q713 PolarHBondContact O-N 3.06Å; G710-R714 PolarHBondContact O-N 2.89Å; G710-W739 VanDerWaalsContact O-CH2 3.26Å; G710-W739 WeakPolarHBondContact O-CH2 3.46Å
711L93.3Very high91.9Very high26 Ų2664.7 Ų64.714%0.13631%0.309CS..Hα-helixtrans-61.7-34.2177.2-71.4175.2000112.2L683 I686 W691 L707 R714 Y715 L746L683-L711 HydrophobicContact CD2-CD1 4.2Å; I686-L711 HydrophobicContact CD1-CD1 3.74Å; W691-L711 HydrophobicContact CH2-CB 4.24Å; W691-L711 HydrophobicContact CZ3-CB 4.15Å; L707-L711 HydrophobicContact CD1-CD1 4.42Å; L707-L711 HydrophobicContact CD2-CD1 4.01Å; L707-L711 HydrophobicContact CG-CD1 3.87Å; L707-L711 HydrophobicContact CG-CG 4.49Å; L707-L711 WeakPolarHBondContact O-CB 3.47Å; L707-L711 WeakPolarHBondContact O-CG 3.24Å; L707-L711 PolarHBondContact O-N 3.28Å; L711-R714 PolarHBondContact O-N 2.93Å; L711-Y715 WeakPolarHBondContact O-CB 2.86Å; L711-Y715 PolarHBondContact O-N 3.24Å; L711-L746 HydrophobicContact CD2-CD1 4.44Å
712R93.8Very high91.8Very high15 Ų1568.8 Ų68.86%0.05733%0.328CS..Hα-helixtrans-66.7-45.1174.5179.260.4173.6-177.20.4112W691 V708 F709 G710 R714 Y715 L716 E723 F728W691-R712 HydrophobicContact CE3-CB 3.77Å; W691-R712 HydrophobicContact CE3-CG 4.25Å; W691-R712 HydrophobicContact CH2-CB 4.35Å; W691-R712 VanDerWaalsContact CZ3-CA 3.43Å; W691-R712 HydrophobicContact CZ3-CB 3.65Å; V708-R712 VanDerWaalsContact O-CB 3.3Å; V708-R712 WeakPolarHBondContact O-CB 3.46Å; V708-R712 PolarHBondContact O-N 3.11Å; F709-R712 WeakPolarHBondContact O-CB 3.46Å; F709-R712 PolarHBondContact O-N 2.78Å; G710-R712 VanDerWaalsContact C-N 3.25Å; G710-R712 PolarHBondContact O-N 3.25Å; R712-R714 VanDerWaalsContact C-N 3.32Å; R712-R714 PolarHBondContact O-N 3.05Å; R712-Y715 PolarHBondContact O-N 3.15Å; R712-L716 HydrophobicContact CG-CD1 4.28Å; R712-L716 WeakPolarHBondContact O-CG 3.35Å; R712-L716 PolarHBondContact O-N 3.01Å; R712-E723 VanDerWaalsContact CG-OE2 3.26Å; R712-E723 WeakPolarHBondContact CG-OE2 3.27Å; R712-E723 IonicContact CZ-OE1 2.71Å; R712-E723 IonicContact CZ-OE2 3.98Å; R712-E723 IonicContact NE-OE1 2.86Å; R712-E723 PolarHBondContact NE-OE1 2.91Å; R712-E723 IonicContact NE-OE2 3.39Å; R712-E723 PolarHBondContact NE-OE2 2.89Å; R712-E723 IonicContact NH2-OE1 3.68Å; R712-E723 PolarHBondContact NH2-OE1 3Å; R712-E723 IonicContact NH2-OE2 2.88Å; R712-F728 HydrophobicContact CB-CD1 4.02Å; R712-F728 HydrophobicContact CB-CE1 3.64Å; R712-F728 HydrophobicContact CB-CZ 4.27Å; R712-F728 HydrophobicContact CG-CD1 3.76Å; R712-F728 HydrophobicContact CG-CE1 3.74Å; R712-F728 HydrophobicContact CG-CG 4.25Å; R712-F728 HydrophobicContact CG-CZ 4.2Å
713Q91.2Very high91.9Very high66 Ų6661 Ų6131%0.30829%0.294SS..Hα-helixtrans-59.2-45.4175-77.1-174.2-2500111.2F709 G710 Y715 L716 I717F709-Q713 HydrophobicContact CE1-CG 4.3Å; F709-Q713 PolarHBondContact O-N 3.39Å; G710-Q713 PolarHBondContact O-N 3.06Å; Q713-Y715 PolarHBondContact O-N 2.8Å; Q713-L716 PolarHBondContact O-N 3.45Å; Q713-I717 VanDerWaalsContact O-CG1 3.27Å; Q713-I717 WeakPolarHBondContact O-CG1 3.42Å; Q713-I717 PolarHBondContact O-N 2.85Å
714R92Very high92Very high109 Ų10963.7 Ų63.741%0.41131%0.313SS..Hα-helixtrans-60-46176-177.2172.7176.7174.7-1.2111.9G710 L711 R712 L716 I717 E718 W739G710-R714 PolarHBondContact O-N 2.89Å; L711-R714 PolarHBondContact O-N 2.93Å; R712-R714 VanDerWaalsContact C-N 3.32Å; R712-R714 PolarHBondContact O-N 3.05Å; R714-L716 VanDerWaalsContact C-N 3.34Å; R714-L716 PolarHBondContact O-N 2.86Å; R714-I717 PolarHBondContact O-N 2.87Å; R714-E718 HydrophobicContact CG-CG 4.4Å; R714-E718 WeakPolarHBondContact CG-OE1 3.42Å; R714-E718 IonicContact CZ-OE1 3.02Å; R714-E718 IonicContact NE-OE1 3.81Å; R714-E718 PolarHBondContact NE-OE1 2.62Å; R714-E718 IonicContact NH2-OE1 3.53Å; R714-E718 PolarHBondContact NH2-OE1 2.82Å; R714-E718 WeakPolarHBondContact O-CB 3.03Å; R714-E718 WeakPolarHBondContact O-CG 3.23Å; R714-E718 PolarHBondContact O-N 2.84Å; R714-W739 HydrophobicContact CB-CH2 3.97Å
715Y93.1Very high91.9Very high87 Ų8762.4 Ų62.434%0.34131%0.31SS..Hα-helixtrans-59.3-42.1176.5173.1-93.5000112.7W691 L711 R712 Q713 E718 S719W691-Y715 HydrophobicContact CH2-CG 4.29Å; W691-Y715 AromaticContact CZ2-CD1 3.99Å; W691-Y715 HydrophobicContact CZ2-CD1 3.99Å; W691-Y715 AromaticContact CZ2-CD2 3.93Å; W691-Y715 HydrophobicContact CZ2-CD2 3.93Å; W691-Y715 AromaticContact CZ2-CG 3.56Å; W691-Y715 HydrophobicContact CZ2-CG 3.56Å; L711-Y715 WeakPolarHBondContact O-CB 2.86Å; L711-Y715 PolarHBondContact O-N 3.24Å; R712-Y715 PolarHBondContact O-N 3.15Å; Q713-Y715 PolarHBondContact O-N 2.8Å; Y715-E718 PolarHBondContact O-N 3.35Å; Y715-S719 VanDerWaalsContact O-CB 3.3Å; Y715-S719 WeakPolarHBondContact O-CB 3.4Å; Y715-S719 PolarHBondContact O-N 3.14Å; Y715-S719 PolarHBondContact O-OG 3.33Å
716L93Very high91.8Very high21 Ų2168 Ų6811%0.1134%0.335CS..Hα-helixtrans-67.5-39.8178.2-73.6174.2000112.5R712 Q713 R714 S719 E720 N721 E723R712-L716 HydrophobicContact CG-CD1 4.28Å; R712-L716 WeakPolarHBondContact O-CG 3.35Å; R712-L716 PolarHBondContact O-N 3.01Å; Q713-L716 PolarHBondContact O-N 3.45Å; R714-L716 VanDerWaalsContact C-N 3.34Å; R714-L716 PolarHBondContact O-N 2.86Å; L716-S719 PolarHBondContact O-N 2.49Å; L716-S719 PolarHBondContact O-OG 2.82Å; L716-E720 PolarHBondContact O-N 2.91Å; L716-N721 HydrophobicContact CD2-CB 3.98Å; L716-N721 PolarHBondContact O-N 2.85Å; L716-N721 VanDerWaalsContact O-N 3.07Å; L716-E723 HydrophobicContact CD1-CB 3.8Å; L716-E723 HydrophobicContact CD1-CG 4.32Å; L716-E723 WeakPolarHBondContact CD1-OE2 3.45Å
717I93.1Very high91.7Very high133 Ų13371.3 Ų71.368%0.68235%0.346SS*.Hα-helixtrans-63.5-47.1174.6-67.5164.9000110.4Q713 R714 S719 E720Q713-I717 VanDerWaalsContact O-CG1 3.27Å; Q713-I717 WeakPolarHBondContact O-CG1 3.42Å; Q713-I717 PolarHBondContact O-N 2.85Å; R714-I717 PolarHBondContact O-N 2.87Å; I717-S719 VanDerWaalsContact C-N 3.28Å; I717-S719 PolarHBondContact O-N 2.82Å; I717-E720 PolarHBondContact O-N 3.4Å
718E93.3Very high91.6Very high129 Ų12971.4 Ų71.460%0.60335%0.346SS*.Hα-helixtrans-67.3-28.5-179.7-73.4176.1-176.500112.7R714 Y715R714-E718 HydrophobicContact CG-CG 4.4Å; R714-E718 WeakPolarHBondContact CG-OE1 3.42Å; R714-E718 IonicContact CZ-OE1 3.02Å; R714-E718 IonicContact NE-OE1 3.81Å; R714-E718 PolarHBondContact NE-OE1 2.62Å; R714-E718 IonicContact NH2-OE1 3.53Å; R714-E718 PolarHBondContact NH2-OE1 2.82Å; R714-E718 WeakPolarHBondContact O-CB 3.03Å; R714-E718 WeakPolarHBondContact O-CG 3.23Å; R714-E718 PolarHBondContact O-N 2.84Å; Y715-E718 PolarHBondContact O-N 3.35Å
719S90.4Very high91.4Very high41 Ų4176.5 Ų76.529%0.28737%0.369SS..THydrogen-bonded Turntrans-96.22.8179630000114.7Y715 L716 I717 N721Y715-S719 VanDerWaalsContact O-CB 3.3Å; Y715-S719 WeakPolarHBondContact O-CB 3.4Å; Y715-S719 PolarHBondContact O-N 3.14Å; Y715-S719 PolarHBondContact O-OG 3.33Å; L716-S719 PolarHBondContact O-N 2.49Å; L716-S719 PolarHBondContact O-OG 2.82Å; I717-S719 VanDerWaalsContact C-N 3.28Å; I717-S719 PolarHBondContact O-N 2.82Å; S719-N721 WeakPolarHBondContact CB-ND2 3.33Å; S719-N721 PolarHBondContact O-N 3.17Å; S719-N721 PolarHBondContact O-ND2 2.57Å; S719-N721 PolarHBondContact OG-ND2 3.11Å
720E92.2Very high91.2Very high184 Ų18482.7 Ų82.786%0.8640%0.398SS*.THydrogen-bonded Turntrans52.736.6-177.3-59.5-175.5169.800114L716 I717L716-E720 PolarHBondContact O-N 2.91Å; I717-E720 PolarHBondContact O-N 3.4Å
721N90.7Very high90.8Very high98 Ų9883.8 Ų83.852%0.52440%0.404SS..  trans-114.4150.6-178.2-69.2-55.6000112.6L716 S719L716-N721 HydrophobicContact CD2-CB 3.98Å; L716-N721 PolarHBondContact O-N 2.85Å; L716-N721 VanDerWaalsContact O-N 3.07Å; S719-N721 WeakPolarHBondContact CB-ND2 3.33Å; S719-N721 PolarHBondContact O-N 3.17Å; S719-N721 PolarHBondContact O-ND2 2.57Å; S719-N721 PolarHBondContact OG-ND2 3.11Å
722E89.2Confident90.1Very high181 Ų18188.5 Ų88.585%0.84643%0.425SS*.  trans-83.1155.7169.8-65.4-172.5174.700111.8S724E722-S724 PolarHBondContact O-N 3.3Å
723E90.7Very high89.3Confident30 Ų3091.7 Ų91.714%0.1446%0.462CS..  trans-65.8124.1178.3-175.755.3-91.500111.1R712 L716 I725 F728 K729R712-E723 VanDerWaalsContact CG-OE2 3.26Å; R712-E723 WeakPolarHBondContact CG-OE2 3.27Å; R712-E723 IonicContact CZ-OE1 2.71Å; R712-E723 IonicContact CZ-OE2 3.98Å; R712-E723 IonicContact NE-OE1 2.86Å; R712-E723 PolarHBondContact NE-OE1 2.91Å; R712-E723 IonicContact NE-OE2 3.39Å; R712-E723 PolarHBondContact NE-OE2 2.89Å; R712-E723 IonicContact NH2-OE1 3.68Å; R712-E723 PolarHBondContact NH2-OE1 3Å; R712-E723 IonicContact NH2-OE2 2.88Å; L716-E723 HydrophobicContact CD1-CB 3.8Å; L716-E723 HydrophobicContact CD1-CG 4.32Å; L716-E723 WeakPolarHBondContact CD1-OE2 3.45Å; E723-I725 PolarHBondContact OE1-N 2.84Å; E723-F728 HydrophobicContact CG-CB 3.91Å; E723-F728 WeakPolarHBondContact OE2-CB 3.38Å; E723-K729 HydrophobicContact CB-CG 4.48Å; E723-K729 HydrophobicContact CG-CG 4.02Å; E723-K729 WeakPolarHBondContact O-CE 3.19Å; E723-K729 PolarHBondContact O-NZ 3.28Å
724S89.7Confident88.9Confident93 Ų9396.1 Ų96.165%0.6548%0.483SS*.  trans-101.3-20.7-178.956.30000112.9E722E722-S724 PolarHBondContact O-N 3.3Å
725I89.6Confident88.3Confident36 Ų3692.4 Ų92.419%0.18547%0.472CS..  trans-94.8118.2-172.5-56.6170000110.4W691 T692 E723 K727 F728 K729W691-I725 HydrophobicContact CB-CD1 4.05Å; T692-I725 HydrophobicContact CG2-CD1 4.08Å; T692-I725 HydrophobicContact CG2-CG2 3.87Å; E723-I725 PolarHBondContact OE1-N 2.84Å; I725-K727 VanDerWaalsContact C-N 3.31Å; I725-K727 HydrophobicContact CG2-CB 4.3Å; I725-K727 PolarHBondContact O-N 3.28Å; I725-F728 HydrophobicContact CB-CD2 3.87Å; I725-F728 HydrophobicContact CD1-CD2 4.15Å; I725-F728 HydrophobicContact CD1-CE2 4.19Å; I725-F728 HydrophobicContact CG2-CD2 3.75Å; I725-F728 HydrophobicContact CG2-CE2 4.39Å; I725-F728 PolarHBondContact O-N 3.49Å; I725-F728 VanDerWaalsContact O-N 3.09Å; I725-K729 PolarHBondContact O-N 3.15Å
726E89.8Confident87.8Confident149 Ų14997.2 Ų97.270%0.69650%0.498SS*.Hα-helixtrans-56.8-38.6-178.5-73.9-170.6162.700114F728 K729 Q730E726-F728 PolarHBondContact O-N 3.05Å; E726-K729 WeakPolarHBondContact O-CB 3.38Å; E726-K729 PolarHBondContact O-N 2.85Å; E726-K729 VanDerWaalsContact O-N 3.12Å; E726-Q730 WeakPolarHBondContact O-CG 3.47Å; E726-Q730 PolarHBondContact O-N 3.08Å
727K89.3Confident87.5Confident89 Ų8998 Ų9839%0.38750%0.503SS..Hα-helixtrans-59.9-34.8179-68.4-173.8179.9-179.20112.3L695 E696 I725L695-K727 HydrophobicContact CD2-CB 3.74Å; L695-K727 HydrophobicContact CD2-CD 4.46Å; E696-K727 IonicContact OE1-NZ 2.61Å; E696-K727 PolarHBondContact OE1-NZ 2.85Å; I725-K727 VanDerWaalsContact C-N 3.31Å; I725-K727 HydrophobicContact CG2-CB 4.3Å; I725-K727 PolarHBondContact O-N 3.28Å
728F91.3Very high87.3Confident2 Ų295.4 Ų95.41%0.00949%0.491CS..Hα-helixtrans-74.3-39.5175.8-77.8-91000110.9W691 L695 V708 F709 R712 E723 I725 E726 Q730 L731 E732W691-F728 HydrophobicContact CB-CE2 4.12Å; W691-F728 HydrophobicContact CB-CZ 4.28Å; L695-F728 HydrophobicContact CB-CE2 4.16Å; L695-F728 HydrophobicContact CB-CZ 3.95Å; L695-F728 HydrophobicContact CD1-CE1 4.15Å; L695-F728 HydrophobicContact CD1-CZ 4.17Å; L695-F728 HydrophobicContact CD2-CD2 4.06Å; L695-F728 HydrophobicContact CD2-CE1 4.45Å; L695-F728 HydrophobicContact CD2-CE2 3.87Å; L695-F728 HydrophobicContact CD2-CG 4.45Å; L695-F728 HydrophobicContact CD2-CZ 4.08Å; L695-F728 HydrophobicContact CG-CE2 4.49Å; L695-F728 HydrophobicContact CG-CZ 4.29Å; V708-F728 HydrophobicContact CG1-CE1 3.99Å; V708-F728 HydrophobicContact CG1-CZ 3.79Å; F709-F728 AromaticContact CD2-CD1 3.71Å; F709-F728 HydrophobicContact CD2-CD1 3.71Å; F709-F728 HydrophobicContact CD2-CE1 4.39Å; F709-F728 HydrophobicContact CE2-CB 4.46Å; F709-F728 HydrophobicContact CE2-CD1 4.19Å; F709-F728 WeakPolarHBondContact CE2-O 3.36Å; R712-F728 HydrophobicContact CB-CD1 4.02Å; R712-F728 HydrophobicContact CB-CE1 3.64Å; R712-F728 HydrophobicContact CB-CZ 4.27Å; R712-F728 HydrophobicContact CG-CD1 3.76Å; R712-F728 HydrophobicContact CG-CE1 3.74Å; R712-F728 HydrophobicContact CG-CG 4.25Å; R712-F728 HydrophobicContact CG-CZ 4.2Å; E723-F728 HydrophobicContact CG-CB 3.91Å; E723-F728 WeakPolarHBondContact OE2-CB 3.38Å; I725-F728 HydrophobicContact CB-CD2 3.87Å; I725-F728 HydrophobicContact CD1-CD2 4.15Å; I725-F728 HydrophobicContact CD1-CE2 4.19Å; I725-F728 HydrophobicContact CG2-CD2 3.75Å; I725-F728 HydrophobicContact CG2-CE2 4.39Å; I725-F728 PolarHBondContact O-N 3.49Å; I725-F728 VanDerWaalsContact O-N 3.09Å; E726-F728 PolarHBondContact O-N 3.05Å; F728-Q730 VanDerWaalsContact C-N 3.26Å; F728-Q730 PolarHBondContact O-N 2.83Å; F728-L731 PolarHBondContact O-N 2.87Å; F728-E732 PolarHBondContact O-N 2.74Å
729K89.4Confident87.1Confident108 Ų10894.5 Ų94.547%0.4748%0.482SS..Hα-helixtrans-58.8-35.6174.4-65.9-173.8177.8178.80113.4E723 I725 E726 L731 E732E723-K729 HydrophobicContact CB-CG 4.48Å; E723-K729 HydrophobicContact CG-CG 4.02Å; E723-K729 WeakPolarHBondContact O-CE 3.19Å; E723-K729 PolarHBondContact O-NZ 3.28Å; I725-K729 PolarHBondContact O-N 3.15Å; E726-K729 WeakPolarHBondContact O-CB 3.38Å; E726-K729 PolarHBondContact O-N 2.85Å; E726-K729 VanDerWaalsContact O-N 3.12Å; K729-L731 VanDerWaalsContact C-N 3.29Å; K729-L731 PolarHBondContact O-N 3.25Å; K729-E732 VanDerWaalsContact O-CB 3.22Å; K729-E732 WeakPolarHBondContact O-CB 3.41Å; K729-E732 PolarHBondContact O-N 2.71Å
730Q87.6Confident87Confident140 Ų14097 Ų9765%0.65450%0.496SS*.Hα-helixtrans-67.5-30.2177.5-71174.75.200113E726 F728 E732E726-Q730 WeakPolarHBondContact O-CG 3.47Å; E726-Q730 PolarHBondContact O-N 3.08Å; F728-Q730 VanDerWaalsContact C-N 3.26Å; F728-Q730 PolarHBondContact O-N 2.83Å; Q730-E732 VanDerWaalsContact C-N 3.27Å
731L83.5Confident86.9Confident23 Ų2392.3 Ų92.312%0.1247%0.474CS..Hα-helixtrans-81.3-11.2178-68.3163.7000112.4L695 V705 F709 F728 K729 G733 E734 V735L695-L731 HydrophobicContact CD1-CD1 3.67Å; L695-L731 HydrophobicContact CD2-CD1 3.85Å; L695-L731 HydrophobicContact CG-CD1 4.28Å; V705-L731 HydrophobicContact CG1-CD1 4.46Å; V705-L731 HydrophobicContact CG1-CD2 4.46Å; F709-L731 HydrophobicContact CD2-CB 3.89Å; F709-L731 HydrophobicContact CD2-CD1 4.41Å; F709-L731 HydrophobicContact CE2-CB 3.79Å; F728-L731 PolarHBondContact O-N 2.87Å; K729-L731 VanDerWaalsContact C-N 3.29Å; K729-L731 PolarHBondContact O-N 3.25Å; L731-G733 PolarHBondContact O-N 3.3Å; L731-E734 PolarHBondContact O-N 2.83Å; L731-V735 HydrophobicContact CB-CG2 4.26Å; L731-V735 HydrophobicContact CD2-CG2 3.76Å; L731-V735 PolarHBondContact O-N 3.48Å
732E79.1Confident86.8Confident125 Ų12587.7 Ų87.758%0.58445%0.449SS*.THydrogen-bonded Turntrans-68.898.2-179.6-155167.1-149.200109.9F709 F728 K729 Q730F709-E732 HydrophobicContact CZ-CB 4.26Å; F709-E732 HydrophobicContact CZ-CG 4.37Å; F728-E732 PolarHBondContact O-N 2.74Å; K729-E732 VanDerWaalsContact O-CB 3.22Å; K729-E732 WeakPolarHBondContact O-CB 3.41Å; K729-E732 PolarHBondContact O-N 2.71Å; Q730-E732 VanDerWaalsContact C-N 3.27Å
733G77.3Confident86.7Confident81 Ų8182 Ų8284%0.83543%0.425SS*.THydrogen-bonded Turntrans111.2-17.6-175.700000114.9L731L731-G733 PolarHBondContact O-N 3.3Å
734E82.5Confident86.7Confident160 Ų16085.3 Ų85.375%0.74844%0.443SS*.THydrogen-bonded Turntrans-87.3-32.7172.9-79.1-168.2158.600112.7L731L731-E734 PolarHBondContact O-N 2.83Å
735V79.6Confident86.6Confident31 Ų3183 Ų8319%0.18842%0.42CS..  trans-111113.4-173-1760000110V705 L731V705-V735 HydrophobicContact CG1-CG2 4.22Å; L731-V735 HydrophobicContact CB-CG2 4.26Å; L731-V735 HydrophobicContact CD2-CG2 3.76Å; L731-V735 PolarHBondContact O-N 3.48Å
736E82.8Confident86.4Confident187 Ų18782 Ų8287%0.87442%0.415SS*.  trans-76.9135.4167.8-81.6-172.8153.700110.6
737V85.8Confident86.1Confident37 Ų3781.2 Ų81.222%0.22441%0.409CS..  trans-98.2109.7-179.9-179.30000109.3F709 W739 I742F709-V737 HydrophobicContact CD1-CG2 3.7Å; F709-V737 HydrophobicContact CE1-CG2 4.3Å; V737-W739 HydrophobicContact CG1-CD2 4.1Å; V737-W739 HydrophobicContact CG1-CG 4.48Å; V737-W739 HydrophobicContact CG1-CH2 4.49Å; V737-W739 HydrophobicContact CG1-CZ2 3.98Å; V737-I742 HydrophobicContact CG1-CD1 3.66Å
738D88.7Confident85.6Confident79 Ų7982.2 Ų82.242%0.42242%0.423SS..  trans-95.6103.6168.5-171.9-12.8000110.4T740 E741 I742D738-T740 PolarHBondContact O-N 2.88Å; D738-T740 WeakPolarHBondContact OD1-CB 3.22Å; D738-T740 PolarHBondContact OD1-N 2.78Å; D738-T740 PolarHBondContact OD1-OG1 3.39Å; D738-T740 PolarHBondContact OD2-OG1 2.85Å; D738-E741 HydrophobicContact CB-CB 4.16Å; D738-E741 PolarHBondContact O-N 3.47Å; D738-I742 WeakPolarHBondContact O-CG1 3.31Å; D738-I742 PolarHBondContact O-N 2.77Å; D738-I742 VanDerWaalsContact O-N 3.15Å
739W88.9Confident84.7Confident111 Ų11182.8 Ų82.842%0.4243%0.428SS..Hα-helixtrans-63.3-26.5178.9-68.7105.1000113.5G710 R714 V737 I742 D743G710-W739 VanDerWaalsContact O-CH2 3.26Å; G710-W739 WeakPolarHBondContact O-CH2 3.46Å; R714-W739 HydrophobicContact CB-CH2 3.97Å; V737-W739 HydrophobicContact CG1-CD2 4.1Å; V737-W739 HydrophobicContact CG1-CG 4.48Å; V737-W739 HydrophobicContact CG1-CH2 4.49Å; V737-W739 HydrophobicContact CG1-CZ2 3.98Å; W739-I742 HydrophobicContact CE3-CD1 4.13Å; W739-I742 HydrophobicContact CE3-CG2 4.43Å; W739-I742 HydrophobicContact CZ3-CD1 4.3Å; W739-I742 PolarHBondContact O-N 3.12Å; W739-D743 WeakPolarHBondContact O-CB 3.29Å; W739-D743 PolarHBondContact O-N 2.73Å
740T89.4Confident83.5Confident94 Ų9485.5 Ų85.558%0.57745%0.445SS*.Hα-helixtrans-72.2-36.2178.866.50000111.7D738 N744D738-T740 PolarHBondContact O-N 2.88Å; D738-T740 WeakPolarHBondContact OD1-CB 3.22Å; D738-T740 PolarHBondContact OD1-N 2.78Å; D738-T740 PolarHBondContact OD1-OG1 3.39Å; D738-T740 PolarHBondContact OD2-OG1 2.85Å; T740-N744 PolarHBondContact O-N 3.21Å; T740-N744 VanDerWaalsContact O-N 3.16Å; T740-N744 PolarHBondContact O-ND2 3.11Å
741E90.4Very high82Confident84 Ų8483.5 Ų83.539%0.39343%0.431SS..Hα-helixtrans-68.4-43173.7-165.3179.5-157.600111D738 D743 N744 W745D738-E741 HydrophobicContact CB-CB 4.16Å; D738-E741 PolarHBondContact O-N 3.47Å; E741-D743 PolarHBondContact O-N 3.16Å; E741-N744 WeakPolarHBondContact O-CB 3.35Å; E741-N744 PolarHBondContact O-N 2.88Å; E741-W745 VanDerWaalsContact CD-CH2 3.41Å; E741-W745 HydrophobicContact CG-CD2 4.18Å; E741-W745 HydrophobicContact CG-CE3 4.36Å; E741-W745 HydrophobicContact CG-CH2 3.81Å; E741-W745 HydrophobicContact CG-CZ2 3.57Å; E741-W745 HydrophobicContact CG-CZ3 4.19Å; E741-W745 PolarHBondContact O-N 2.82Å; E741-W745 WeakPolarHBondContact OE1-CZ2 3.38Å
742I88.4Confident79.8Confident1 Ų191.7 Ų91.71%0.00546%0.462CS..Hα-helixtrans-59.7-47.5176.2-67.7174.7000111.4L707 V737 D738 W739 N744 W745 L746L707-I742 HydrophobicContact CB-CG1 4.48Å; L707-I742 HydrophobicContact CD1-CG2 4.17Å; V737-I742 HydrophobicContact CG1-CD1 3.66Å; D738-I742 WeakPolarHBondContact O-CG1 3.31Å; D738-I742 PolarHBondContact O-N 2.77Å; D738-I742 VanDerWaalsContact O-N 3.15Å; W739-I742 HydrophobicContact CE3-CD1 4.13Å; W739-I742 HydrophobicContact CE3-CG2 4.43Å; W739-I742 HydrophobicContact CZ3-CD1 4.3Å; W739-I742 PolarHBondContact O-N 3.12Å; I742-N744 VanDerWaalsContact C-N 3.27Å; I742-N744 PolarHBondContact O-N 2.86Å; I742-W745 HydrophobicContact CG1-CE3 4.26Å; I742-W745 HydrophobicContact CG1-CZ3 4.3Å; I742-W745 PolarHBondContact O-N 3Å; I742-L746 HydrophobicContact CG2-CD1 3.91Å; I742-L746 HydrophobicContact CG2-CG 4.38Å; I742-L746 WeakPolarHBondContact O-CG 3.41Å; I742-L746 PolarHBondContact O-N 2.66Å
743D87.7Confident79.9Confident63 Ų6390 Ų9034%0.33746%0.455SS..Hα-helixtrans-62.7-35.3177.8-93.7-7.1000112.1W739 E741 K747W739-D743 WeakPolarHBondContact O-CB 3.29Å; W739-D743 PolarHBondContact O-N 2.73Å; E741-D743 PolarHBondContact O-N 3.16Å; D743-K747 WeakPolarHBondContact O-CB 3.5Å; D743-K747 WeakPolarHBondContact O-CG 3.26Å; D743-K747 PolarHBondContact O-N 3.07Å
744N89.1Confident80Confident99 Ų9990.5 Ų90.553%0.52944%0.436SS..Hα-helixtrans-64.3-47.4173-80.3-24.9000111.1T740 E741 I742 L746 K747 T748T740-N744 PolarHBondContact O-N 3.21Å; T740-N744 VanDerWaalsContact O-N 3.16Å; T740-N744 PolarHBondContact O-ND2 3.11Å; E741-N744 WeakPolarHBondContact O-CB 3.35Å; E741-N744 PolarHBondContact O-N 2.88Å; I742-N744 VanDerWaalsContact C-N 3.27Å; I742-N744 PolarHBondContact O-N 2.86Å; N744-L746 PolarHBondContact O-N 3.22Å; N744-K747 PolarHBondContact O-N 3.44Å; N744-T748 PolarHBondContact O-N 3.37Å; N744-T748 PolarHBondContact O-OG1 2.87Å
745W88.6Confident79.9Confident43 Ų4386.6 Ų86.616%0.16342%0.418CS..Hα-helixtrans-58.6-46.3176.8-68.2-29.2000112.1L679 Y704 S706 L707 E741 I742 K747 T748 A749L679-W745 HydrophobicContact CD1-CB 4.42Å; L679-W745 HydrophobicContact CD2-CB 4.27Å; Y704-W745 AromaticContact CD1-CD2 3.7Å; Y704-W745 HydrophobicContact CD1-CD2 3.7Å; Y704-W745 AromaticContact CD1-CE2 3.74Å; Y704-W745 AromaticContact CD1-CE3 3.94Å; Y704-W745 HydrophobicContact CD1-CE3 3.94Å; Y704-W745 HydrophobicContact CD1-CG 4.18Å; Y704-W745 HydrophobicContact CD1-CH2 4.21Å; Y704-W745 AromaticContact CD1-CZ2 3.98Å; Y704-W745 HydrophobicContact CD1-CZ2 3.98Å; Y704-W745 HydrophobicContact CD1-CZ3 4.2Å; Y704-W745 AromaticContact CE1-CD1 3.87Å; Y704-W745 AromaticContact CE1-CD2 3.83Å; Y704-W745 HydrophobicContact CE1-CD2 3.83Å; Y704-W745 AromaticContact CE1-CE2 3.66Å; Y704-W745 AromaticContact CE1-CG 3.94Å; Y704-W745 HydrophobicContact CE1-CG 3.94Å; Y704-W745 HydrophobicContact CE1-CZ2 4.19Å; Y704-W745 AromaticContact CE1-NE1 3.72Å; S706-W745 WeakPolarHBondContact OG-CH2 3.28Å; S706-W745 WeakPolarHBondContact OG-CZ3 3.24Å; L707-W745 HydrophobicContact CB-CE3 3.68Å; L707-W745 HydrophobicContact CB-CZ3 3.69Å; L707-W745 HydrophobicContact CD1-CB 3.89Å; L707-W745 HydrophobicContact CD1-CD2 4.32Å; L707-W745 HydrophobicContact CD1-CE3 3.59Å; L707-W745 HydrophobicContact CD1-CZ3 4.47Å; L707-W745 HydrophobicContact CG-CE3 4.25Å; E741-W745 VanDerWaalsContact CD-CH2 3.41Å; E741-W745 HydrophobicContact CG-CD2 4.18Å; E741-W745 HydrophobicContact CG-CE3 4.36Å; E741-W745 HydrophobicContact CG-CH2 3.81Å; E741-W745 HydrophobicContact CG-CZ2 3.57Å; E741-W745 HydrophobicContact CG-CZ3 4.19Å; E741-W745 PolarHBondContact O-N 2.82Å; E741-W745 WeakPolarHBondContact OE1-CZ2 3.38Å; I742-W745 HydrophobicContact CG1-CE3 4.26Å; I742-W745 HydrophobicContact CG1-CZ3 4.3Å; I742-W745 PolarHBondContact O-N 3Å; W745-K747 VanDerWaalsContact C-N 3.33Å; W745-K747 PolarHBondContact O-N 3.28Å; W745-T748 WeakPolarHBondContact CA-OG1 3.44Å; W745-T748 WeakPolarHBondContact O-CB 3.26Å; W745-T748 PolarHBondContact O-N 2.68Å; W745-T748 VanDerWaalsContact O-N 3.09Å; W745-T748 PolarHBondContact O-OG1 2.8Å; W745-T748 VanDerWaalsContact O-OG1 3.12Å; W745-A749 PolarHBondContact O-N 2.94Å; W745-A749 VanDerWaalsContact O-N 3.11Å
746L85.1Confident79.9Confident16 Ų1689.9 Ų89.98%0.08443%0.432CS..Hα-helixtrans-62.1-37.4177.6-69.1172.8000112.9L683 L711 I742 N744 A749 M750 R751 Y752L683-L746 HydrophobicContact CD2-CD2 3.97Å; L711-L746 HydrophobicContact CD2-CD1 4.44Å; I742-L746 HydrophobicContact CG2-CD1 3.91Å; I742-L746 HydrophobicContact CG2-CG 4.38Å; I742-L746 WeakPolarHBondContact O-CG 3.41Å; I742-L746 PolarHBondContact O-N 2.66Å; N744-L746 PolarHBondContact O-N 3.22Å; L746-A749 PolarHBondContact O-N 3.22Å; L746-M750 PolarHBondContact O-N 2.96Å; L746-R751 PolarHBondContact O-N 2.85Å; L746-Y752 HydrophobicContact CB-CD2 4.12Å; L746-Y752 HydrophobicContact CB-CE2 3.95Å; L746-Y752 HydrophobicContact CD1-CE2 4.15Å
747K84.2Confident79.7Confident132 Ų13283.8 Ų83.857%0.57440%0.404SS*.Hα-helixtrans-64.1-40.9171.8-79.3175.6-178.8170.20112.3D743 N744 W745 A749 M750 Y752D743-K747 WeakPolarHBondContact O-CB 3.5Å; D743-K747 WeakPolarHBondContact O-CG 3.26Å; D743-K747 PolarHBondContact O-N 3.07Å; N744-K747 PolarHBondContact O-N 3.44Å; W745-K747 VanDerWaalsContact C-N 3.33Å; W745-K747 PolarHBondContact O-N 3.28Å; K747-A749 PolarHBondContact O-N 3.25Å; K747-M750 PolarHBondContact O-N 2.7Å; K747-Y752 HydrophobicContact CG-CD2 4.45Å
748T79.1Confident79.3Confident111 Ų11186.9 Ų86.968%0.68142%0.416SS*.Hα-helixtrans-61.5-33.6176.7-11.40000112.3N744 W745 M750N744-T748 PolarHBondContact O-N 3.37Å; N744-T748 PolarHBondContact O-OG1 2.87Å; W745-T748 WeakPolarHBondContact CA-OG1 3.44Å; W745-T748 WeakPolarHBondContact O-CB 3.26Å; W745-T748 PolarHBondContact O-N 2.68Å; W745-T748 VanDerWaalsContact O-N 3.09Å; W745-T748 PolarHBondContact O-OG1 2.8Å; W745-T748 VanDerWaalsContact O-OG1 3.12Å; T748-M750 PolarHBondContact O-N 3.22Å
749A72.4Confident78.6Confident13 Ų1387.5 Ų87.511%0.10742%0.416CS..THydrogen-bonded Turntrans-81.37.717600000113.8L679 L683 W745 L746 K747 R751L679-A749 HydrophobicContact CD2-CB 4.18Å; L683-A749 HydrophobicContact CD1-CB 3.66Å; W745-A749 PolarHBondContact O-N 2.94Å; W745-A749 VanDerWaalsContact O-N 3.11Å; L746-A749 PolarHBondContact O-N 3.22Å; K747-A749 PolarHBondContact O-N 3.25Å; A749-R751 HydrophobicContact CB-CG 4.37Å; A749-R751 PolarHBondContact O-N 3.2Å
750M63.8Low77.8Confident166 Ų16685.7 Ų85.782%0.81842%0.415SS*.THydrogen-bonded Turntrans51.436.3-177.4-66.6-163.4-76.300114.2L746 K747 T748 Y752L746-M750 PolarHBondContact O-N 2.96Å; K747-M750 PolarHBondContact O-N 2.7Å; T748-M750 PolarHBondContact O-N 3.22Å; M750-Y752 VanDerWaalsContact C-N 3.32Å
751R54.8Low76.9Confident97 Ų9785 Ų8537%0.36640%0.402SS..  trans-90.611.4176.6-71.7-162.3175.8-154.1-4.6114.6D687 L746 A749D687-R751 IonicContact OD1-CZ 3.97Å; D687-R751 IonicContact OD1-NH1 3.47Å; D687-R751 PolarHBondContact OD1-NH1 3.39Å; D687-R751 IonicContact OD1-NH2 3Å; D687-R751 IonicContact OD2-CZ 3.54Å; D687-R751 IonicContact OD2-NH1 2.67Å; D687-R751 PolarHBondContact OD2-NH1 2.97Å; D687-R751 IonicContact OD2-NH2 2.9Å; D687-R751 PolarHBondContact OD2-NH2 2.85Å; L746-R751 PolarHBondContact O-N 2.85Å; A749-R751 HydrophobicContact CB-CG 4.37Å; A749-R751 PolarHBondContact O-N 3.2Å
752Y39.1Very low75.7Confident195 Ų19585.1 Ų85.177%0.76540%0.403SS*.  trans-129.20178.1-87.7-72.2000112.4L746 K747 M750L746-Y752 HydrophobicContact CB-CD2 4.12Å; L746-Y752 HydrophobicContact CB-CE2 3.95Å; L746-Y752 HydrophobicContact CD1-CE2 4.15Å; K747-Y752 HydrophobicContact CG-CD2 4.45Å; M750-Y752 VanDerWaalsContact C-N 3.32Å

Retrieved 752 of 752 residues in 1864.2 ms (Link to these results)

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