A0A5K4F646_SCHMA Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A5K4F646, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 941 aa.

						>A0A5K4F646_SCHMA|A0A5K4F646
MSQIQRGLIIISSGCIIYLVILWLFSIKLLIYHPSLYTINENEYFKNCIKSKHSWIKCTKYLNRISNEKIISPDSYSQRWPPPSVTYLIDKRLNSFNLALQFSLAHNATDSKDEDLYNKFADMKPINNPEMFALRVPESVCRSYNNELIPHLIVIIKSSVYNFEKRDRARRTFMQKQLWPNFSVQFVFVLGIPMENESNLFRFDGNTYILDTKWWEFSKHYGSSKWSFVRQLSLEVDLYDDLLIGSFHDTYYNLTKKMIFGLRWLSAFCPKQVPLYLFIDDDYDLVPKNVITFYYNNTEDYLRNMNGGYIRSSRTVFRPMVNETSSVWAMTVKEFPWISYPPYYHGLTYIIGANLVHRLATASAFVKEIRIDDAYLGILFNKLNITLVHLNIIGPSLTKKDIMSGGINVHYKISKRIMNWSSASIRIQMKLYNQAVIPIIKPIFIKIIKINIGIRKTIYSILLILFLFYSTIYILNKNNLKNFYNLKNNDTICSYDKLEEITLNELSWINFIYQTKFINYHNFHYLKQNKITNLFTNLISLYHRNDKIEYTTYNNKNTGLLNMKLYYNIRYDNHIIYYFNDDYSMKNKSYISHPILTRNEKGQPIAYILTEHYPKYFNVTKALKAISSGLSLKEIPCNNDDLIAVRLPKRTCNPCSRTKNVNLVVIVKSCVYCFEQRAFARMTYMNKDLWKNFSVQFVFTVGLPTPNETNTYHFDGFMTTLTINSMRLSNKYVSKWSIAKILSNESKMHNDMLIGAFHDTYFNLTSKMMLSLRWATNFCIPQSPLFLFIDDDYLLHPNNTINLIRKFNYSQLKSLAAGSVYFGSVDRPRNGYGGRWAVSYNEYPWDYYPRYFLGIGYFLGADVVHDASFAMPFTKQMRIDDVYLGIILKRLNRTLTHLDNIHINPGKDHLKSGTFLITRYLAENHVNWTTGLITGEKPTKH
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	44.6	Very low	52.3	Low	192 Å²	192	123.5 Å²	123.5	95%	0.946	62%	0.624	S	S	*	*				0	-46.1	0	-83.8	178.5	83.2	0	0	113.9	Q3 I4 Q5	M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 2.91Å; M1-I4 PolarHBondContact O-N 3.17Å; M1-I4 VanDerWaalsContact O-N 3.13Å; M1-Q5 PolarHBondContact O-N 3.41Å; M1-Q5 VanDerWaalsContact O-N 3.11Å
2	S	54	Low	52.3	Low	84 Å²	84	118.2 Å²	118.2	59%	0.587	61%	0.607	S	S	*	*	H	α-helix	trans	-63.5	-31.8	-179	67.4	0	0	0	0	114.5	R6	S2-R6 PolarHBondContact O-N 3.33Å; S2-R6 VanDerWaalsContact O-N 3.11Å
3	Q	53.3	Low	52.6	Low	168 Å²	168	113 Å²	113	79%	0.785	59%	0.587	S	S	*	*	H	α-helix	trans	-69.7	-32.8	173.4	-75.3	-173.4	-10.8	0	0	113.2	M1 R6 G7	M1-Q3 VanDerWaalsContact C-N 3.33Å; M1-Q3 PolarHBondContact O-N 2.91Å; Q3-R6 PolarHBondContact O-N 3.41Å; Q3-G7 PolarHBondContact O-N 3.15Å
4	I	58.1	Low	52.9	Low	117 Å²	117	107.6 Å²	107.6	60%	0.6	57%	0.573	S	S	*	*	H	α-helix	trans	-72.2	-37.4	176.4	-62.1	174.2	0	0	0	110.3	M1 G7 L8	M1-I4 PolarHBondContact O-N 3.17Å; M1-I4 VanDerWaalsContact O-N 3.13Å; I4-G7 PolarHBondContact O-N 3.26Å; I4-L8 HydrophobicContact CG2-CD1 4.06Å; I4-L8 PolarHBondContact O-N 3.35Å
5	Q	51.2	Low	53.4	Low	127 Å²	127	105.3 Å²	105.3	59%	0.593	57%	0.568	S	S	*	*	H	α-helix	trans	-64	-39.3	172.2	-82.6	179	-33.1	0	0	112.3	M1 L8 I9	M1-Q5 PolarHBondContact O-N 3.41Å; M1-Q5 VanDerWaalsContact O-N 3.11Å; Q5-L8 PolarHBondContact O-N 2.97Å; Q5-I9 VanDerWaalsContact O-CG1 3.3Å; Q5-I9 WeakPolarHBondContact O-CG1 3.49Å; Q5-I9 PolarHBondContact O-N 3.03Å; Q5-I9 VanDerWaalsContact O-N 3.09Å
6	R	53.1	Low	54.1	Low	188 Å²	188	105.4 Å²	105.4	71%	0.709	57%	0.567	S	S	*	*	H	α-helix	trans	-65.3	-39.7	173	-74.1	-175.5	179.4	-176	0.2	111.9	S2 Q3 I9 I10	S2-R6 PolarHBondContact O-N 3.33Å; S2-R6 VanDerWaalsContact O-N 3.11Å; Q3-R6 PolarHBondContact O-N 3.41Å; R6-I9 PolarHBondContact O-N 3.34Å; R6-I10 VanDerWaalsContact O-CG1 3.26Å; R6-I10 WeakPolarHBondContact O-CG1 3.39Å; R6-I10 PolarHBondContact O-N 2.88Å
7	G	48	Very low	54.9	Low	30 Å²	30	105.4 Å²	105.4	31%	0.309	57%	0.565	S	S	.	*	H	α-helix	trans	-61.6	-43.8	174.6	0	0	0	0	0	113.3	Q3 I4 I10 I11	Q3-G7 PolarHBondContact O-N 3.15Å; I4-G7 PolarHBondContact O-N 3.26Å; G7-I10 PolarHBondContact O-N 2.7Å; G7-I11 VanDerWaalsContact O-CG1 3.29Å; G7-I11 WeakPolarHBondContact O-CG1 3.36Å; G7-I11 PolarHBondContact O-N 3.23Å
8	L	47.1	Very low	55.6	Low	111 Å²	111	108.1 Å²	108.1	58%	0.581	57%	0.567	S	S	*	*	H	α-helix	trans	-68.4	-33.9	178.4	-84	159.1	0	0	0	113.2	I4 Q5 I11 S12	I4-L8 HydrophobicContact CG2-CD1 4.06Å; I4-L8 PolarHBondContact O-N 3.35Å; Q5-L8 PolarHBondContact O-N 2.97Å; L8-I11 PolarHBondContact O-N 2.89Å; L8-S12 WeakPolarHBondContact O-CB 3.33Å; L8-S12 PolarHBondContact O-N 3.18Å; L8-S12 PolarHBondContact O-OG 3.37Å
9	I	53.7	Low	56.2	Low	113 Å²	113	108.4 Å²	108.4	58%	0.579	57%	0.569	S	S	*	*	H	α-helix	trans	-70.7	-34.4	174.2	-66.2	167.7	0	0	0	111.2	Q5 R6 S12 S13	Q5-I9 VanDerWaalsContact O-CG1 3.3Å; Q5-I9 WeakPolarHBondContact O-CG1 3.49Å; Q5-I9 PolarHBondContact O-N 3.03Å; Q5-I9 VanDerWaalsContact O-N 3.09Å; R6-I9 PolarHBondContact O-N 3.34Å; I9-S12 PolarHBondContact O-OG 3.28Å; I9-S12 VanDerWaalsContact O-OG 3.07Å; I9-S13 WeakPolarHBondContact O-CB 3.45Å; I9-S13 PolarHBondContact O-N 3.27Å; I9-S13 PolarHBondContact O-OG 3.41Å
10	I	56.9	Low	56.9	Low	117 Å²	117	106.6 Å²	106.6	60%	0.6	56%	0.562	S	S	*	*	H	α-helix	trans	-69.9	-38.4	174.7	-66.5	166.3	0	0	0	110.8	R6 G7 S13 G14	R6-I10 VanDerWaalsContact O-CG1 3.26Å; R6-I10 WeakPolarHBondContact O-CG1 3.39Å; R6-I10 PolarHBondContact O-N 2.88Å; G7-I10 PolarHBondContact O-N 2.7Å; I10-S13 WeakPolarHBondContact CA-OG 3.48Å; I10-S13 PolarHBondContact O-OG 3.42Å; I10-S13 VanDerWaalsContact O-OG 3.05Å; I10-G14 PolarHBondContact O-N 3.08Å
11	I	55.4	Low	57.3	Low	112 Å²	112	105.1 Å²	105.1	57%	0.574	55%	0.554	S	S	*	*	H	α-helix	trans	-69.5	-39.7	176.7	-65.3	165.1	0	0	0	111.1	G7 L8 G14 C15	G7-I11 VanDerWaalsContact O-CG1 3.29Å; G7-I11 WeakPolarHBondContact O-CG1 3.36Å; G7-I11 PolarHBondContact O-N 3.23Å; L8-I11 PolarHBondContact O-N 2.89Å; I11-G14 PolarHBondContact O-N 3.12Å; I11-C15 PolarHBondContact O-N 3.18Å
12	S	52.7	Low	57.9	Low	59 Å²	59	99.7 Å²	99.7	41%	0.413	53%	0.528	S	S	.	.	H	α-helix	trans	-67.6	-38.6	177.6	69	0	0	0	0	112.3	L8 I9 C15 I16	L8-S12 WeakPolarHBondContact O-CB 3.33Å; L8-S12 PolarHBondContact O-N 3.18Å; L8-S12 PolarHBondContact O-OG 3.37Å; I9-S12 PolarHBondContact O-OG 3.28Å; I9-S12 VanDerWaalsContact O-OG 3.07Å; S12-C15 PolarHBondContact O-N 3.39Å; S12-I16 VanDerWaalsContact O-CG1 3.28Å; S12-I16 WeakPolarHBondContact O-CG1 3.37Å; S12-I16 PolarHBondContact O-N 2.66Å; S12-I16 VanDerWaalsContact O-N 3.08Å
13	S	55.3	Low	58	Low	51 Å²	51	104 Å²	104	36%	0.357	53%	0.532	S	S	.	.	H	α-helix	trans	-68.6	-37.7	174.1	47	0	0	0	0	112.6	I9 I10 I16 I17	I9-S13 WeakPolarHBondContact O-CB 3.45Å; I9-S13 PolarHBondContact O-N 3.27Å; I9-S13 PolarHBondContact O-OG 3.41Å; I10-S13 WeakPolarHBondContact CA-OG 3.48Å; I10-S13 PolarHBondContact O-OG 3.42Å; I10-S13 VanDerWaalsContact O-OG 3.05Å; S13-I16 PolarHBondContact O-N 3.05Å; S13-I17 VanDerWaalsContact O-CG1 3.27Å; S13-I17 WeakPolarHBondContact O-CG1 3.25Å; S13-I17 PolarHBondContact O-N 3.02Å
14	G	57	Low	57.7	Low	38 Å²	38	100.4 Å²	100.4	39%	0.392	52%	0.518	S	S	.	.	H	α-helix	trans	-61.8	-43	173.1	0	0	0	0	0	113.5	I10 I11 I17 Y18	I10-G14 PolarHBondContact O-N 3.08Å; I11-G14 PolarHBondContact O-N 3.12Å; G14-I17 PolarHBondContact O-N 3.16Å; G14-Y18 WeakPolarHBondContact O-CB 3.36Å; G14-Y18 PolarHBondContact O-N 3.44Å
15	C	60.6	Low	57.2	Low	73 Å²	73	101 Å²	101	49%	0.493	52%	0.516	S	S	.	.	H	α-helix	trans	-66.7	-39.3	175.9	-82.1	0	0	0	0	112.7	I11 S12 Y18 L19	I11-C15 PolarHBondContact O-N 3.18Å; S12-C15 PolarHBondContact O-N 3.39Å; C15-Y18 PolarHBondContact O-N 3.39Å; C15-L19 WeakPolarHBondContact O-CB 3.03Å; C15-L19 WeakPolarHBondContact O-CG 3.43Å; C15-L19 PolarHBondContact O-N 2.99Å
16	I	65	Low	56.7	Low	107 Å²	107	97.6 Å²	97.6	55%	0.549	51%	0.506	S	S	.	.	H	α-helix	trans	-65.4	-43	176.1	-67.3	165.5	0	0	0	110.2	S12 S13 Y18 L19 V20	S12-I16 VanDerWaalsContact O-CG1 3.28Å; S12-I16 WeakPolarHBondContact O-CG1 3.37Å; S12-I16 PolarHBondContact O-N 2.66Å; S12-I16 VanDerWaalsContact O-N 3.08Å; S13-I16 PolarHBondContact O-N 3.05Å; I16-Y18 PolarHBondContact O-N 2.69Å; I16-L19 PolarHBondContact O-N 3.04Å; I16-V20 HydrophobicContact CG2-CG2 4.34Å; I16-V20 WeakPolarHBondContact O-CB 3.36Å; I16-V20 VanDerWaalsContact O-CG2 3.23Å; I16-V20 WeakPolarHBondContact O-CG2 3.34Å; I16-V20 PolarHBondContact O-N 2.77Å
17	I	67.7	Low	55.9	Low	105 Å²	105	91.7 Å²	91.7	54%	0.538	49%	0.488	S	S	.	.	H	α-helix	trans	-63.2	-42.6	176.1	-68.3	165.9	0	0	0	110.7	S13 G14 V20 I21	S13-I17 VanDerWaalsContact O-CG1 3.27Å; S13-I17 WeakPolarHBondContact O-CG1 3.25Å; S13-I17 PolarHBondContact O-N 3.02Å; G14-I17 PolarHBondContact O-N 3.16Å; I17-V20 CarbonylContact O-C 3.6Å; I17-V20 PolarHBondContact O-N 3.1Å; I17-I21 HydrophobicContact CG2-CD1 3.7Å; I17-I21 HydrophobicContact CG2-CG1 4.29Å; I17-I21 WeakPolarHBondContact O-CB 3.46Å; I17-I21 VanDerWaalsContact O-CG1 3.22Å; I17-I21 WeakPolarHBondContact O-CG1 3.36Å; I17-I21 PolarHBondContact O-N 2.93Å
18	Y	67.2	Low	55	Low	154 Å²	154	97.7 Å²	97.7	60%	0.604	51%	0.506	S	S	*	.	H	α-helix	trans	-65.6	-39.6	177.7	-170.2	-102.7	0	0	0	112.4	G14 C15 I16 I21 L22	G14-Y18 WeakPolarHBondContact O-CB 3.36Å; G14-Y18 PolarHBondContact O-N 3.44Å; C15-Y18 PolarHBondContact O-N 3.39Å; I16-Y18 PolarHBondContact O-N 2.69Å; Y18-I21 PolarHBondContact O-N 3.21Å; Y18-L22 HydrophobicContact CD1-CD1 3.66Å; Y18-L22 HydrophobicContact CD1-CG 4.4Å; Y18-L22 HydrophobicContact CE1-CD1 3.31Å; Y18-L22 HydrophobicContact CE1-CG 4.07Å; Y18-L22 WeakPolarHBondContact O-CB 3.33Å; Y18-L22 PolarHBondContact O-N 2.94Å
19	L	67.8	Low	54.2	Low	114 Å²	114	99.5 Å²	99.5	60%	0.597	52%	0.515	S	S	*	.	H	α-helix	trans	-66.7	-38.5	173.4	-74.4	171.3	0	0	0	111.8	C15 I16 L22 W23	C15-L19 WeakPolarHBondContact O-CB 3.03Å; C15-L19 WeakPolarHBondContact O-CG 3.43Å; C15-L19 PolarHBondContact O-N 2.99Å; I16-L19 PolarHBondContact O-N 3.04Å; L19-L22 PolarHBondContact O-N 3.12Å; L19-W23 WeakPolarHBondContact O-CB 3.45Å; L19-W23 PolarHBondContact O-N 3.44Å
20	V	69.2	Low	52.9	Low	71 Å²	71	99.9 Å²	99.9	43%	0.43	52%	0.518	S	S	.	.	H	α-helix	trans	-67.6	-37.2	173.4	170.9	0	0	0	0	111	I16 I17 W23 L24	I16-V20 HydrophobicContact CG2-CG2 4.34Å; I16-V20 WeakPolarHBondContact O-CB 3.36Å; I16-V20 VanDerWaalsContact O-CG2 3.23Å; I16-V20 WeakPolarHBondContact O-CG2 3.34Å; I16-V20 PolarHBondContact O-N 2.77Å; I17-V20 CarbonylContact O-C 3.6Å; I17-V20 PolarHBondContact O-N 3.1Å; V20-W23 PolarHBondContact O-N 2.94Å; V20-L24 HydrophobicContact CG1-CD1 3.8Å; V20-L24 HydrophobicContact CG1-CG 4.24Å; V20-L24 VanDerWaalsContact O-CB 3.22Å; V20-L24 WeakPolarHBondContact O-CB 3.37Å; V20-L24 WeakPolarHBondContact O-CG 3.12Å; V20-L24 PolarHBondContact O-N 3.24Å
21	I	65.4	Low	51.6	Low	77 Å²	77	99.7 Å²	99.7	40%	0.395	52%	0.517	S	S	.	.	H	α-helix	trans	-67	-43.4	173.8	-70.6	168	0	0	0	110.3	I17 Y18 W23 L24 F25	I17-I21 HydrophobicContact CG2-CD1 3.7Å; I17-I21 HydrophobicContact CG2-CG1 4.29Å; I17-I21 WeakPolarHBondContact O-CB 3.46Å; I17-I21 VanDerWaalsContact O-CG1 3.22Å; I17-I21 WeakPolarHBondContact O-CG1 3.36Å; I17-I21 PolarHBondContact O-N 2.93Å; Y18-I21 PolarHBondContact O-N 3.21Å; I21-W23 VanDerWaalsContact C-N 3.31Å; I21-W23 PolarHBondContact O-N 3.23Å; I21-L24 CarbonylContact O-C 3.57Å; I21-L24 PolarHBondContact O-N 3.35Å; I21-F25 HydrophobicContact CG2-CD2 3.78Å; I21-F25 HydrophobicContact CG2-CE2 4.12Å; I21-F25 VanDerWaalsContact O-CB 3.31Å; I21-F25 WeakPolarHBondContact O-CB 3.48Å; I21-F25 WeakPolarHBondContact O-CD2 3.31Å; I21-F25 PolarHBondContact O-N 3.28Å
22	L	56.8	Low	50.3	Low	78 Å²	78	102.5 Å²	102.5	41%	0.408	52%	0.521	S	S	.	.	H	α-helix	trans	-63.5	-37.5	173.4	-88.4	167.6	0	0	0	111.7	Y18 L19 F25 S26	Y18-L22 HydrophobicContact CD1-CD1 3.66Å; Y18-L22 HydrophobicContact CD1-CG 4.4Å; Y18-L22 HydrophobicContact CE1-CD1 3.31Å; Y18-L22 HydrophobicContact CE1-CG 4.07Å; Y18-L22 WeakPolarHBondContact O-CB 3.33Å; Y18-L22 PolarHBondContact O-N 2.94Å; L19-L22 PolarHBondContact O-N 3.12Å; L22-F25 PolarHBondContact O-N 2.66Å; L22-S26 VanDerWaalsContact O-CB 3.27Å; L22-S26 WeakPolarHBondContact O-CB 3.18Å; L22-S26 PolarHBondContact O-N 3.3Å; L22-S26 PolarHBondContact O-OG 3.18Å
23	W	56.7	Low	49	Very low	174 Å²	174	107.7 Å²	107.7	66%	0.659	54%	0.539	S	S	*	.	H	α-helix	trans	-70.6	-38.9	176	-158.8	76.4	0	0	0	111.3	L19 V20 I21 S26 I27	L19-W23 WeakPolarHBondContact O-CB 3.45Å; L19-W23 PolarHBondContact O-N 3.44Å; V20-W23 PolarHBondContact O-N 2.94Å; I21-W23 VanDerWaalsContact C-N 3.31Å; I21-W23 PolarHBondContact O-N 3.23Å; W23-S26 CarbonylContact O-C 3.59Å; W23-S26 WeakPolarHBondContact O-CB 3.37Å; W23-S26 PolarHBondContact O-N 2.94Å; W23-I27 HydrophobicContact CD2-CD1 3.88Å; W23-I27 HydrophobicContact CE3-CD1 3.36Å; W23-I27 HydrophobicContact CE3-CG1 4.5Å; W23-I27 HydrophobicContact CH2-CD1 3.69Å; W23-I27 HydrophobicContact CZ2-CD1 4.17Å; W23-I27 HydrophobicContact CZ3-CD1 3.26Å; W23-I27 WeakPolarHBondContact O-CB 3.33Å; W23-I27 VanDerWaalsContact O-CG1 3.28Å; W23-I27 WeakPolarHBondContact O-CG1 3.42Å; W23-I27 PolarHBondContact O-N 3.4Å
24	L	47.7	Very low	47.5	Very low	93 Å²	93	110.1 Å²	110.1	49%	0.487	55%	0.553	S	S	.	*	H	α-helix	trans	-70.5	-32.9	172.7	-75.2	169.2	0	0	0	112.6	V20 I21 I27 K28	V20-L24 HydrophobicContact CG1-CD1 3.8Å; V20-L24 HydrophobicContact CG1-CG 4.24Å; V20-L24 VanDerWaalsContact O-CB 3.22Å; V20-L24 WeakPolarHBondContact O-CB 3.37Å; V20-L24 WeakPolarHBondContact O-CG 3.12Å; V20-L24 PolarHBondContact O-N 3.24Å; I21-L24 CarbonylContact O-C 3.57Å; I21-L24 PolarHBondContact O-N 3.35Å; L24-I27 CarbonylContact O-C 3.56Å; L24-I27 PolarHBondContact O-N 3.39Å; L24-K28 WeakPolarHBondContact O-CB 3.31Å; L24-K28 PolarHBondContact O-N 3.16Å
25	F	46.8	Very low	46.1	Very low	128 Å²	128	111.5 Å²	111.5	56%	0.561	56%	0.557	S	S	*	*	H	α-helix	trans	-71.7	-38.3	171	-102	-88.1	0	0	0	111	I21 L22 I27 K28 L29	I21-F25 HydrophobicContact CG2-CD2 3.78Å; I21-F25 HydrophobicContact CG2-CE2 4.12Å; I21-F25 VanDerWaalsContact O-CB 3.31Å; I21-F25 WeakPolarHBondContact O-CB 3.48Å; I21-F25 WeakPolarHBondContact O-CD2 3.31Å; I21-F25 PolarHBondContact O-N 3.28Å; L22-F25 PolarHBondContact O-N 2.66Å; F25-I27 VanDerWaalsContact C-N 3.3Å; F25-K28 CarbonylContact O-C 3.55Å; F25-K28 PolarHBondContact O-N 3.14Å; F25-K28 VanDerWaalsContact O-N 3.16Å; F25-L29 PolarHBondContact O-N 2.85Å
26	S	39.9	Very low	44.6	Very low	57 Å²	57	112.9 Å²	112.9	40%	0.399	56%	0.559	S	S	.	*	H	α-helix	trans	-63.5	-39.7	171.2	-58.2	0	0	0	0	110.2	L22 W23 L29 L30	L22-S26 VanDerWaalsContact O-CB 3.27Å; L22-S26 WeakPolarHBondContact O-CB 3.18Å; L22-S26 PolarHBondContact O-N 3.3Å; L22-S26 PolarHBondContact O-OG 3.18Å; W23-S26 CarbonylContact O-C 3.59Å; W23-S26 WeakPolarHBondContact O-CB 3.37Å; W23-S26 PolarHBondContact O-N 2.94Å; S26-L29 CarbonylContact O-C 3.57Å; S26-L29 PolarHBondContact O-N 2.98Å; S26-L30 WeakPolarHBondContact O-CB 3.28Å; S26-L30 WeakPolarHBondContact O-CD1 3.33Å; S26-L30 PolarHBondContact O-N 3.26Å
27	I	36.1	Very low	42.9	Very low	64 Å²	64	113.6 Å²	113.6	33%	0.328	56%	0.556	S	S	.	*	H	α-helix	trans	-68.2	-34.7	171.7	-71.3	168	0	0	0	111.5	W23 L24 F25 L29 L30 I31	W23-I27 HydrophobicContact CD2-CD1 3.88Å; W23-I27 HydrophobicContact CE3-CD1 3.36Å; W23-I27 HydrophobicContact CE3-CG1 4.5Å; W23-I27 HydrophobicContact CH2-CD1 3.69Å; W23-I27 HydrophobicContact CZ2-CD1 4.17Å; W23-I27 HydrophobicContact CZ3-CD1 3.26Å; W23-I27 WeakPolarHBondContact O-CB 3.33Å; W23-I27 VanDerWaalsContact O-CG1 3.28Å; W23-I27 WeakPolarHBondContact O-CG1 3.42Å; W23-I27 PolarHBondContact O-N 3.4Å; L24-I27 CarbonylContact O-C 3.56Å; L24-I27 PolarHBondContact O-N 3.39Å; F25-I27 VanDerWaalsContact C-N 3.3Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-L30 CarbonylContact O-C 3.32Å; I27-L30 PolarHBondContact O-N 2.85Å; I27-I31 VanDerWaalsContact O-CG1 3.32Å; I27-I31 WeakPolarHBondContact O-CG1 3.36Å; I27-I31 PolarHBondContact O-N 2.71Å
28	K	30.8	Very low	40.9	Very low	156 Å²	156	114.4 Å²	114.4	68%	0.678	57%	0.565	S	S	*	*	H	α-helix	trans	-71.4	-26.2	172.9	-97.3	-176.3	174.9	180	0	113.3	L24 F25	L24-K28 WeakPolarHBondContact O-CB 3.31Å; L24-K28 PolarHBondContact O-N 3.16Å; F25-K28 CarbonylContact O-C 3.55Å; F25-K28 PolarHBondContact O-N 3.14Å; F25-K28 VanDerWaalsContact O-N 3.16Å
29	L	29.5	Very low	39.3	Very low	148 Å²	148	110.1 Å²	110.1	78%	0.775	55%	0.552	S	S	*	*	H	α-helix	trans	-79.3	-31	167.8	-113.3	86	0	0	0	112	F25 S26 I27 I31 Y32	F25-L29 PolarHBondContact O-N 2.85Å; S26-L29 CarbonylContact O-C 3.57Å; S26-L29 PolarHBondContact O-N 2.98Å; I27-L29 VanDerWaalsContact C-N 3.34Å; L29-I31 CarbonylContact O-C 3.45Å; L29-Y32 PolarHBondContact O-N 3.02Å; L29-Y32 VanDerWaalsContact O-N 3.14Å
30	L	26.6	Very low	37.7	Very low	122 Å²	122	108.9 Å²	108.9	64%	0.639	55%	0.546	S	S	*	.	H	α-helix	trans	-86.9	-4.7	175.3	-89.4	145.9	0	0	0	114.3	S26 I27 Y32	S26-L30 WeakPolarHBondContact O-CB 3.28Å; S26-L30 WeakPolarHBondContact O-CD1 3.33Å; S26-L30 PolarHBondContact O-N 3.26Å; I27-L30 CarbonylContact O-C 3.32Å; I27-L30 PolarHBondContact O-N 2.85Å; L30-Y32 WeakPolarHBondContact O-CB 3.38Å; L30-Y32 VanDerWaalsContact O-CD2 3.29Å; L30-Y32 WeakPolarHBondContact O-CD2 3.45Å; L30-Y32 PolarHBondContact O-N 2.93Å
31	I	30.5	Very low	36.2	Very low	112 Å²	112	111.2 Å²	111.2	57%	0.574	55%	0.553	S	S	*	*	S	Bend	trans	-75.1	63.6	140.5	-57.4	161.9	0	0	0	102.8	I27 L29 H33	I27-I31 VanDerWaalsContact O-CG1 3.32Å; I27-I31 WeakPolarHBondContact O-CG1 3.36Å; I27-I31 PolarHBondContact O-N 2.71Å; L29-I31 CarbonylContact O-C 3.45Å; I31-H33 VanDerWaalsContact C-N 3.28Å; I31-H33 PolarHBondContact O-N 2.81Å
32	Y	26.5	Very low	35.4	Very low	171 Å²	171	108 Å²	108	67%	0.671	54%	0.536	S	S	*	.				33.5	78	104.7	-104.1	-84	0	0	0	106.4	L29 L30 P34	L29-Y32 PolarHBondContact O-N 3.02Å; L29-Y32 VanDerWaalsContact O-N 3.14Å; L30-Y32 WeakPolarHBondContact O-CB 3.38Å; L30-Y32 VanDerWaalsContact O-CD2 3.29Å; L30-Y32 WeakPolarHBondContact O-CD2 3.45Å; L30-Y32 PolarHBondContact O-N 2.93Å; Y32-P34 WeakPolarHBondContact O-CD 3.1Å
33	H	26.1	Very low	35.1	Very low	169 Å²	169	108.1 Å²	108.1	78%	0.782	53%	0.534	S	S	*	.			trans	-40.8	111.3	134.1	-82.8	-77.9	0	0	0	103.6	I31 S35	I31-H33 VanDerWaalsContact C-N 3.28Å; I31-H33 PolarHBondContact O-N 2.81Å; H33-S35 PolarHBondContact O-N 2.88Å
34	P	24.6	Very low	35.1	Very low	101 Å²	101	101.4 Å²	101.4	66%	0.656	51%	0.509	S	S	*	.			trans	-54.8	106.7	161.4	-8.8	24.3	0	0	0	101	Y32 L36	Y32-P34 WeakPolarHBondContact O-CD 3.1Å; P34-L36 PolarHBondContact O-N 3.16Å; P34-L36 VanDerWaalsContact O-N 3.07Å
35	S	26.5	Very low	35.8	Very low	67 Å²	67	97.1 Å²	97.1	47%	0.469	49%	0.487	S	S	.	.			trans	-39.3	126	164.5	58.5	0	0	0	0	104	H33 Y37	H33-S35 PolarHBondContact O-N 2.88Å; S35-Y37 PolarHBondContact O-N 2.71Å
36	L	29.2	Very low	36.7	Very low	102 Å²	102	96.1 Å²	96.1	53%	0.534	48%	0.482	S	S	.	.	S	Bend	trans	-52.2	10.3	-170.1	-81.5	148	0	0	0	115.8	P34 T38	P34-L36 PolarHBondContact O-N 3.16Å; P34-L36 VanDerWaalsContact O-N 3.07Å; L36-T38 PolarHBondContact O-N 3.22Å
37	Y	29.1	Very low	37.9	Very low	123 Å²	123	95.8 Å²	95.8	48%	0.482	48%	0.476	S	S	.	.			trans	-91.8	83.8	178.3	-59.1	-75.6	0	0	0	111.8	S35 S143	S35-Y37 PolarHBondContact O-N 2.71Å; Y37-S143 VanDerWaalsContact CD1-CB 3.43Å
38	T	26.1	Very low	39.3	Very low	121 Å²	121	92.8 Å²	92.8	74%	0.742	46%	0.461	S	S	*	.			trans	-172	67.4	140.1	22.3	0	0	0	0	106.7	L36 N40	L36-T38 PolarHBondContact O-N 3.22Å; T38-N40 PolarHBondContact O-N 3.42Å
39	I	34.1	Very low	41	Very low	65 Å²	65	86.4 Å²	86.4	33%	0.333	43%	0.434	S	S	.	.			trans	-74.7	69.1	166.7	-57.7	148.7	0	0	0	106.4	F96 F268	I39-F96 HydrophobicContact CD1-CD2 3.9Å; I39-F96 HydrophobicContact CG1-CD2 4.28Å; I39-F96 HydrophobicContact CG2-CD2 3.64Å; I39-F96 HydrophobicContact CG2-CE2 4.26Å; I39-F96 HydrophobicContact CG2-CG 4.42Å; I39-F268 HydrophobicContact CD1-CD1 3.39Å; I39-F268 HydrophobicContact CD1-CE1 3.51Å
40	N	33.1	Very low	42.6	Very low	88 Å²	88	82.5 Å²	82.5	47%	0.471	41%	0.41	S	S	.	.			trans	-118.8	98.1	178.7	-107.9	-2.9	0	0	0	107.5	T38	T38-N40 PolarHBondContact O-N 3.42Å
41	E	38.6	Very low	44.5	Very low	120 Å²	120	76.8 Å²	76.8	56%	0.561	38%	0.381	S	S	*	.			trans	140.6	104	156.9	-78.8	176.7	-144.8	0	0	110.6	E43 R92	E41-E43 PolarHBondContact O-N 3.45Å; E41-R92 IonicContact OE1-NH1 3.28Å; E41-R92 IonicContact OE2-CZ 4Å; E41-R92 IonicContact OE2-NH1 3.67Å; E41-R92 PolarHBondContact OE2-NH1 3.49Å; E41-R92 IonicContact OE2-NH2 3.48Å; E41-R92 PolarHBondContact OE2-NH2 2.73Å
42	N	48.5	Very low	46.4	Very low	9 Å²	9	76.2 Å²	76.2	5%	0.048	37%	0.374	C	S	.	.			trans	-95.8	80.3	175.1	-139	-27.8	0	0	0	109.9	L134 R135 V136	N42-L134 PolarHBondContact ND2-O 3.06Å; N42-L134 PolarHBondContact OD1-O 3.47Å; N42-L134 VanDerWaalsContact OD1-O 3.14Å; N42-R135 WeakPolarHBondContact ND2-CA 3.42Å; N42-V136 PolarHBondContact ND2-N 2.74Å
43	E	51.1	Low	48.5	Very low	80 Å²	80	73.4 Å²	73.4	37%	0.374	37%	0.367	S	S	.	.	H	α-helix	trans	-75.3	-24.5	-176.7	-151.3	-170.1	138.5	0	0	112.6	E41 K46 N47 D90 R92	E41-E43 PolarHBondContact O-N 3.45Å; E43-K46 WeakPolarHBondContact O-CB 3.37Å; E43-K46 PolarHBondContact O-N 3.4Å; E43-N47 VanDerWaalsContact O-CB 3.32Å; E43-N47 WeakPolarHBondContact O-CB 3.31Å; E43-N47 PolarHBondContact O-N 2.99Å; E43-N47 PolarHBondContact O-ND2 3.13Å; E43-N47 PolarHBondContact OE1-ND2 3.49Å; E43-D90 WeakPolarHBondContact CB-OD2 3.48Å; E43-R92 IonicContact OE2-NH2 3.69Å; E43-R92 PolarHBondContact OE2-NH2 2.92Å
44	Y	55.9	Low	50.6	Low	33 Å²	33	66.9 Å²	66.9	13%	0.129	34%	0.341	C	S	.	.	H	α-helix	trans	-64.7	-48.2	-174	-174.3	-95.5	0	0	0	113.3	K46 N47 C48 L88 L134	Y44-K46 VanDerWaalsContact C-N 3.35Å; Y44-K46 PolarHBondContact O-N 3.3Å; Y44-N47 CarbonylContact O-C 3.59Å; Y44-N47 WeakPolarHBondContact O-CA 3.27Å; Y44-N47 WeakPolarHBondContact O-CB 3.44Å; Y44-N47 PolarHBondContact O-N 3.37Å; Y44-N47 VanDerWaalsContact O-N 3.1Å; Y44-C48 WeakPolarHBondContact CE1-SG 3.36Å; Y44-C48 VanDerWaalsContact CZ-SG 3.51Å; Y44-C48 PolarHBondContact O-N 3.35Å; Y44-L88 WeakPolarHBondContact CD2-O 3.42Å; Y44-L88 HydrophobicContact CE2-CB 4.42Å; Y44-L88 WeakPolarHBondContact CE2-O 3.27Å; Y44-L134 HydrophobicContact CD1-CD2 3.53Å; Y44-L134 HydrophobicContact CE1-CD2 3.51Å
45	F	62.9	Low	53	Low	4 Å²	4	62.2 Å²	62.2	2%	0.018	31%	0.31	C	S	.	.	H	α-helix	trans	-60.9	-46.8	176.7	-178.6	-110.3	0	0	0	110.8	N47 C48 I49 L134 L232 V236 I244	F45-N47 PolarHBondContact O-N 2.94Å; F45-C48 PolarHBondContact O-N 3.49Å; F45-C48 VanDerWaalsContact O-N 3.11Å; F45-I49 HydrophobicContact CD1-CD1 4.02Å; F45-I49 HydrophobicContact CD2-CG2 4.28Å; F45-I49 HydrophobicContact CE1-CD1 3.84Å; F45-I49 HydrophobicContact CE1-CG2 4.33Å; F45-I49 HydrophobicContact CE2-CG2 3.95Å; F45-I49 HydrophobicContact CZ-CD1 4.45Å; F45-I49 HydrophobicContact CZ-CG2 3.97Å; F45-I49 VanDerWaalsContact O-CG1 3.27Å; F45-I49 WeakPolarHBondContact O-CG1 3.22Å; F45-I49 WeakPolarHBondContact O-CG2 3.48Å; F45-I49 PolarHBondContact O-N 3.23Å; F45-L134 HydrophobicContact CB-CB 4.2Å; F45-L134 WeakPolarHBondContact CB-O 3.31Å; F45-L134 HydrophobicContact CD2-CB 4.04Å; F45-L134 HydrophobicContact CD2-CD1 4.45Å; F45-L134 HydrophobicContact CG-CB 4.47Å; F45-L232 HydrophobicContact CZ-CD2 4.36Å; F45-L232 HydrophobicContact CZ-CG 4.48Å; F45-V236 HydrophobicContact CE1-CG2 4.32Å; F45-I244 HydrophobicContact CZ-CD1 4.35Å
46	K	66.1	Low	55.2	Low	107 Å²	107	61.3 Å²	61.3	47%	0.465	30%	0.299	S	S	.	.	H	α-helix	trans	-52.8	-42	172.9	-71.3	-176.5	177.2	178.7	0	111.5	E43 Y44 I49 K50	E43-K46 WeakPolarHBondContact O-CB 3.37Å; E43-K46 PolarHBondContact O-N 3.4Å; Y44-K46 VanDerWaalsContact C-N 3.35Å; Y44-K46 PolarHBondContact O-N 3.3Å; K46-I49 CarbonylContact O-C 3.56Å; K46-I49 VanDerWaalsContact O-CG1 3.27Å; K46-I49 WeakPolarHBondContact O-CG1 3.46Å; K46-I49 PolarHBondContact O-N 3.24Å; K46-K50 WeakPolarHBondContact O-CG 3.38Å; K46-K50 PolarHBondContact O-N 3.42Å
47	N	64	Low	57.4	Low	49 Å²	49	63 Å²	63	26%	0.262	30%	0.302	S	S	.	.	H	α-helix	trans	-68.5	-42.5	178.1	-74	-22.5	0	0	0	113.2	E43 Y44 F45 I49 K50	E43-N47 VanDerWaalsContact O-CB 3.32Å; E43-N47 WeakPolarHBondContact O-CB 3.31Å; E43-N47 PolarHBondContact O-N 2.99Å; E43-N47 PolarHBondContact O-ND2 3.13Å; E43-N47 PolarHBondContact OE1-ND2 3.49Å; Y44-N47 CarbonylContact O-C 3.59Å; Y44-N47 WeakPolarHBondContact O-CA 3.27Å; Y44-N47 WeakPolarHBondContact O-CB 3.44Å; Y44-N47 PolarHBondContact O-N 3.37Å; Y44-N47 VanDerWaalsContact O-N 3.1Å; F45-N47 PolarHBondContact O-N 2.94Å; N47-I49 PolarHBondContact O-N 3.03Å; N47-K50 HydrophobicContact CB-CD 4.36Å; N47-K50 WeakPolarHBondContact O-CB 3.32Å; N47-K50 PolarHBondContact O-N 3.43Å; N47-K50 WeakPolarHBondContact OD1-CD 3.34Å; N47-K50 WeakPolarHBondContact OD1-CE 3.41Å; N47-K50 PolarHBondContact OD1-NZ 2.89Å
48	C	64.7	Low	59.5	Low	2 Å²	2	58 Å²	58	1%	0.014	29%	0.285	C	S	.	.	H	α-helix	trans	-63.5	-32.6	175.1	-76.5	0	0	0	0	112.6	Y44 F45 S54 W55 C58	Y44-C48 WeakPolarHBondContact CE1-SG 3.36Å; Y44-C48 VanDerWaalsContact CZ-SG 3.51Å; Y44-C48 PolarHBondContact O-N 3.35Å; F45-C48 PolarHBondContact O-N 3.49Å; F45-C48 VanDerWaalsContact O-N 3.11Å; C48-S54 CarbonylContact O-C 3.28Å; C48-S54 VanDerWaalsContact O-C 3.25Å; C48-S54 WeakPolarHBondContact O-CB 3.44Å; C48-W55 WeakPolarHBondContact O-CA 3.44Å; C48-W55 PolarHBondContact O-N 2.7Å; C48-C58 WeakPolarHBondContact CA-SG 3.34Å; C48-C58 HydrophobicContact CB-CB 3.63Å; C48-C58 WeakPolarHBondContact CB-SG 3.37Å; C48-C58 WeakPolarHBondContact SG-CB 3.23Å; C48-C58 CovalentContact SG-SG 2.04Å; C48-C58 PolarHBondContact SG-SG 2.99Å
49	I	67.1	Low	61.7	Low	22 Å²	22	52.4 Å²	52.4	11%	0.113	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	14.8	178.2	71.7	179	0	0	0	113.7	F45 K46 N47 S51 W55 W226 V229 S233	F45-I49 HydrophobicContact CD1-CD1 4.02Å; F45-I49 HydrophobicContact CD2-CG2 4.28Å; F45-I49 HydrophobicContact CE1-CD1 3.84Å; F45-I49 HydrophobicContact CE1-CG2 4.33Å; F45-I49 HydrophobicContact CE2-CG2 3.95Å; F45-I49 HydrophobicContact CZ-CD1 4.45Å; F45-I49 HydrophobicContact CZ-CG2 3.97Å; F45-I49 VanDerWaalsContact O-CG1 3.27Å; F45-I49 WeakPolarHBondContact O-CG1 3.22Å; F45-I49 WeakPolarHBondContact O-CG2 3.48Å; F45-I49 PolarHBondContact O-N 3.23Å; K46-I49 CarbonylContact O-C 3.56Å; K46-I49 VanDerWaalsContact O-CG1 3.27Å; K46-I49 WeakPolarHBondContact O-CG1 3.46Å; K46-I49 PolarHBondContact O-N 3.24Å; N47-I49 PolarHBondContact O-N 3.03Å; I49-S51 VanDerWaalsContact C-N 3.3Å; I49-S51 PolarHBondContact O-N 2.86Å; I49-W55 HydrophobicContact CG2-CE3 4.37Å; I49-W226 HydrophobicContact CB-CZ3 4.37Å; I49-W226 WeakPolarHBondContact O-CH2 3.25Å; I49-V229 HydrophobicContact CB-CG1 4.39Å; I49-V229 HydrophobicContact CG2-CG1 3.41Å; I49-V229 VanDerWaalsContact CG2-CG1 3.41Å; I49-S233 WeakPolarHBondContact CD1-OG 3.35Å
50	K	64.2	Low	63.6	Low	65 Å²	65	56.5 Å²	56.5	28%	0.283	27%	0.266	S	S	.	.	S	Bend	trans	-63.2	-36.3	177.2	-88.2	169.7	166.7	174.9	0	112.8	K46 N47	K46-K50 WeakPolarHBondContact O-CG 3.38Å; K46-K50 PolarHBondContact O-N 3.42Å; N47-K50 HydrophobicContact CB-CD 4.36Å; N47-K50 WeakPolarHBondContact O-CB 3.32Å; N47-K50 PolarHBondContact O-N 3.43Å; N47-K50 WeakPolarHBondContact OD1-CD 3.34Å; N47-K50 WeakPolarHBondContact OD1-CE 3.41Å; N47-K50 PolarHBondContact OD1-NZ 2.89Å
51	S	66.1	Low	65.3	Low	3 Å²	3	53.6 Å²	53.6	2%	0.021	25%	0.249	C	C	.	.	S	Bend	trans	-154.3	161	-179.1	76.4	0	0	0	0	110.5	I49 H53 S54 W55 W226 D715 N841	I49-S51 VanDerWaalsContact C-N 3.3Å; I49-S51 PolarHBondContact O-N 2.86Å; S51-H53 PolarHBondContact O-N 3.05Å; S51-H53 PolarHBondContact OG-N 3.47Å; S51-S54 WeakPolarHBondContact O-CB 3.47Å; S51-S54 PolarHBondContact O-N 3.37Å; S51-S54 VanDerWaalsContact O-N 3.1Å; S51-S54 WeakPolarHBondContact OG-CB 3.16Å; S51-S54 PolarHBondContact OG-N 2.81Å; S51-S54 PolarHBondContact OG-OG 3.5Å; S51-W55 PolarHBondContact O-N 2.98Å; S51-W226 VanDerWaalsContact C-CZ2 3.48Å; S51-W226 VanDerWaalsContact C-CZ3 3.49Å; S51-W226 VanDerWaalsContact CA-CH2 3.47Å; S51-W226 WeakPolarHBondContact O-CH2 3.45Å; S51-W226 WeakPolarHBondContact O-CZ3 3.39Å; S51-D715 WeakPolarHBondContact CB-OD1 3.49Å; S51-N841 PolarHBondContact OG-ND2 2.8Å
52	K	70.4	Confident	66.6	Low	100 Å²	100	48.3 Å²	48.3	44%	0.435	22%	0.224	S	C	.	.	H	α-helix	trans	-55	-38.4	173.4	179.9	172.9	177.1	171.9	0	111.8	W55 I56 S224 W226	K52-W55 PolarHBondContact O-N 2.99Å; K52-I56 HydrophobicContact CG-CD1 3.92Å; K52-I56 VanDerWaalsContact O-CG1 3.29Å; K52-I56 WeakPolarHBondContact O-CG1 3.37Å; K52-I56 PolarHBondContact O-N 2.77Å; K52-S224 VanDerWaalsContact CE-OG 3.25Å; K52-S224 WeakPolarHBondContact CE-OG 3.47Å; K52-S224 PolarHBondContact NZ-OG 3.42Å; K52-W226 HydrophobicContact CB-CB 4.42Å; K52-W226 HydrophobicContact CB-CD2 3.78Å; K52-W226 HydrophobicContact CB-CE3 4.43Å; K52-W226 HydrophobicContact CB-CG 3.74Å; K52-W226 HydrophobicContact CD-CB 4.31Å; K52-W226 HydrophobicContact CD-CG 4.26Å; K52-W226 HydrophobicContact CG-CB 4.04Å; K52-W226 HydrophobicContact CG-CD2 4.34Å; K52-W226 HydrophobicContact CG-CG 3.88Å; K52-W226 VanDerWaalsContact N-CZ2 3.31Å
53	H	71.2	Confident	67.5	Low	112 Å²	112	50.7 Å²	50.7	52%	0.519	24%	0.237	S	C	.	.	H	α-helix	trans	-66.5	-45.7	177.7	-176.7	83	0	0	0	111.5	S51 W55 I56 K57	S51-H53 PolarHBondContact O-N 3.05Å; S51-H53 PolarHBondContact OG-N 3.47Å; H53-W55 VanDerWaalsContact C-N 3.25Å; H53-W55 PolarHBondContact O-N 2.84Å; H53-I56 PolarHBondContact O-N 3.38Å; H53-K57 WeakPolarHBondContact O-CB 3.49Å; H53-K57 PolarHBondContact O-N 2.89Å
54	S	69.7	Low	68.1	Low	32 Å²	32	52.7 Å²	52.7	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-57.2	-42	174.8	-55.6	0	0	0	0	111.1	C48 S51 K57 C58	C48-S54 CarbonylContact O-C 3.28Å; C48-S54 VanDerWaalsContact O-C 3.25Å; C48-S54 WeakPolarHBondContact O-CB 3.44Å; S51-S54 WeakPolarHBondContact O-CB 3.47Å; S51-S54 PolarHBondContact O-N 3.37Å; S51-S54 VanDerWaalsContact O-N 3.1Å; S51-S54 WeakPolarHBondContact OG-CB 3.16Å; S51-S54 PolarHBondContact OG-N 2.81Å; S51-S54 PolarHBondContact OG-OG 3.5Å; S54-K57 PolarHBondContact O-N 3.44Å; S54-C58 WeakPolarHBondContact O-CB 3.47Å; S54-C58 PolarHBondContact O-N 3.06Å; S54-C58 PolarHBondContact O-SG 3.38Å
55	W	74.8	Confident	68.1	Low	2 Å²	2	52 Å²	52	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-48.4	178.6	172	-111.4	0	0	0	112.5	C48 I49 S51 K52 H53 K57 C58 T59 I192 P193 E195 W226 V229	C48-W55 WeakPolarHBondContact O-CA 3.44Å; C48-W55 PolarHBondContact O-N 2.7Å; I49-W55 HydrophobicContact CG2-CE3 4.37Å; S51-W55 PolarHBondContact O-N 2.98Å; K52-W55 PolarHBondContact O-N 2.99Å; H53-W55 VanDerWaalsContact C-N 3.25Å; H53-W55 PolarHBondContact O-N 2.84Å; W55-K57 VanDerWaalsContact C-N 3.29Å; W55-K57 PolarHBondContact O-N 3.17Å; W55-C58 PolarHBondContact O-N 2.88Å; W55-T59 HydrophobicContact CD2-CG2 3.78Å; W55-T59 HydrophobicContact CE3-CG2 4.01Å; W55-T59 HydrophobicContact CH2-CG2 3.53Å; W55-T59 HydrophobicContact CZ2-CG2 3.24Å; W55-T59 HydrophobicContact CZ3-CG2 3.9Å; W55-T59 WeakPolarHBondContact O-CB 3.47Å; W55-T59 WeakPolarHBondContact O-CG2 3.48Å; W55-T59 PolarHBondContact O-N 2.74Å; W55-T59 PolarHBondContact O-OG1 3.28Å; W55-I192 HydrophobicContact CH2-CB 4.02Å; W55-I192 HydrophobicContact CH2-CD1 4.15Å; W55-I192 HydrophobicContact CH2-CG2 4.22Å; W55-P193 HydrophobicContact CZ2-CG 4.19Å; W55-P193 WeakPolarHBondContact CZ2-O 3.18Å; W55-E195 VanDerWaalsContact CD1-OE1 3.27Å; W55-E195 PolarHBondContact NE1-OE1 2.8Å; W55-W226 HydrophobicContact CB-CE3 3.56Å; W55-W226 HydrophobicContact CB-CZ3 3.67Å; W55-W226 AromaticContact CG-CE3 3.89Å; W55-W226 HydrophobicContact CG-CE3 3.89Å; W55-W226 HydrophobicContact CG-CZ3 4.33Å; W55-V229 HydrophobicContact CD2-CB 4.48Å; W55-V229 HydrophobicContact CD2-CG1 4.07Å; W55-V229 HydrophobicContact CD2-CG2 4.15Å; W55-V229 HydrophobicContact CE3-CG1 3.87Å; W55-V229 HydrophobicContact CH2-CG1 4.19Å; W55-V229 HydrophobicContact CH2-CG2 3.78Å; W55-V229 HydrophobicContact CZ2-CB 4.45Å; W55-V229 HydrophobicContact CZ2-CG1 4.4Å; W55-V229 HydrophobicContact CZ2-CG2 3.36Å; W55-V229 HydrophobicContact CZ3-CG1 3.93Å; W55-V229 HydrophobicContact CZ3-CG2 4.34Å
56	I	73.2	Confident	67.8	Low	49 Å²	49	54.7 Å²	54.7	25%	0.251	26%	0.259	S	S	.	.	H	α-helix	trans	-61.1	-40.6	176.1	-67.6	166.1	0	0	0	110.6	K52 H53 T59 K60 E195	K52-I56 HydrophobicContact CG-CD1 3.92Å; K52-I56 VanDerWaalsContact O-CG1 3.29Å; K52-I56 WeakPolarHBondContact O-CG1 3.37Å; K52-I56 PolarHBondContact O-N 2.77Å; H53-I56 PolarHBondContact O-N 3.38Å; I56-T59 WeakPolarHBondContact CA-OG1 3.33Å; I56-T59 PolarHBondContact O-OG1 3.42Å; I56-T59 VanDerWaalsContact O-OG1 3.08Å; I56-K60 HydrophobicContact CG2-CD 4.12Å; I56-K60 HydrophobicContact CG2-CG 4.47Å; I56-K60 WeakPolarHBondContact O-CB 3.26Å; I56-K60 VanDerWaalsContact O-CG 3.27Å; I56-K60 WeakPolarHBondContact O-CG 3.29Å; I56-K60 PolarHBondContact O-N 3.03Å; I56-E195 HydrophobicContact CG1-CG 4.16Å
57	K	74.4	Confident	67.2	Low	136 Å²	136	55.6 Å²	55.6	59%	0.591	27%	0.269	S	S	*	.	H	α-helix	trans	-65.3	-47	177.9	-172.6	178.3	179.5	-179.5	0	111.2	H53 S54 W55 Y61	H53-K57 WeakPolarHBondContact O-CB 3.49Å; H53-K57 PolarHBondContact O-N 2.89Å; S54-K57 PolarHBondContact O-N 3.44Å; W55-K57 VanDerWaalsContact C-N 3.29Å; W55-K57 PolarHBondContact O-N 3.17Å; K57-Y61 VanDerWaalsContact O-CB 3.26Å; K57-Y61 WeakPolarHBondContact O-CB 3.31Å; K57-Y61 PolarHBondContact O-N 3Å
58	C	73.6	Confident	66.4	Low	18 Å²	18	57.7 Å²	57.7	12%	0.122	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-50.3	176.2	-80.4	0	0	0	0	112	C48 S54 W55 K60 Y61 L62	C48-C58 WeakPolarHBondContact CA-SG 3.34Å; C48-C58 HydrophobicContact CB-CB 3.63Å; C48-C58 WeakPolarHBondContact CB-SG 3.37Å; C48-C58 WeakPolarHBondContact SG-CB 3.23Å; C48-C58 CovalentContact SG-SG 2.04Å; C48-C58 PolarHBondContact SG-SG 2.99Å; S54-C58 WeakPolarHBondContact O-CB 3.47Å; S54-C58 PolarHBondContact O-N 3.06Å; S54-C58 PolarHBondContact O-SG 3.38Å; W55-C58 PolarHBondContact O-N 2.88Å; C58-K60 PolarHBondContact O-N 3.02Å; C58-Y61 CarbonylContact O-C 3.49Å; C58-Y61 WeakPolarHBondContact O-CB 3.04Å; C58-Y61 PolarHBondContact O-N 3.03Å; C58-Y61 VanDerWaalsContact O-N 3.12Å; C58-L62 WeakPolarHBondContact O-CB 3.15Å; C58-L62 VanDerWaalsContact O-CG 3.3Å; C58-L62 WeakPolarHBondContact O-CG 3.48Å; C58-L62 PolarHBondContact O-N 3.19Å
59	T	72.8	Confident	65.4	Low	4 Å²	4	67.4 Å²	67.4	3%	0.025	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-42.6	-179.3	47.6	0	0	0	0	112.8	W55 I56 Y61 L62 N63 M194	W55-T59 HydrophobicContact CD2-CG2 3.78Å; W55-T59 HydrophobicContact CE3-CG2 4.01Å; W55-T59 HydrophobicContact CH2-CG2 3.53Å; W55-T59 HydrophobicContact CZ2-CG2 3.24Å; W55-T59 HydrophobicContact CZ3-CG2 3.9Å; W55-T59 WeakPolarHBondContact O-CB 3.47Å; W55-T59 WeakPolarHBondContact O-CG2 3.48Å; W55-T59 PolarHBondContact O-N 2.74Å; W55-T59 PolarHBondContact O-OG1 3.28Å; I56-T59 WeakPolarHBondContact CA-OG1 3.33Å; I56-T59 PolarHBondContact O-OG1 3.42Å; I56-T59 VanDerWaalsContact O-OG1 3.08Å; T59-Y61 VanDerWaalsContact C-N 3.27Å; T59-Y61 PolarHBondContact O-N 3.09Å; T59-L62 PolarHBondContact O-N 2.98Å; T59-N63 VanDerWaalsContact O-CB 3.32Å; T59-N63 WeakPolarHBondContact O-CB 3.37Å; T59-N63 PolarHBondContact O-N 2.98Å; T59-M194 HydrophobicContact CG2-CE 4.03Å; T59-M194 HydrophobicContact CG2-SD 4.29Å
60	K	74.2	Confident	63.9	Low	151 Å²	151	72.7 Å²	72.7	66%	0.657	35%	0.346	S	S	*	.	H	α-helix	trans	-58.8	-41.1	172.7	-78.2	-178.1	176.8	-172.4	0	111.9	I56 C58 R64	I56-K60 HydrophobicContact CG2-CD 4.12Å; I56-K60 HydrophobicContact CG2-CG 4.47Å; I56-K60 WeakPolarHBondContact O-CB 3.26Å; I56-K60 VanDerWaalsContact O-CG 3.27Å; I56-K60 WeakPolarHBondContact O-CG 3.29Å; I56-K60 PolarHBondContact O-N 3.03Å; C58-K60 PolarHBondContact O-N 3.02Å; K60-R64 WeakPolarHBondContact O-CB 3.39Å; K60-R64 PolarHBondContact O-N 2.86Å
61	Y	67.6	Low	62.6	Low	27 Å²	27	71.8 Å²	71.8	11%	0.106	34%	0.344	C	S	.	.	H	α-helix	trans	-70	-46.5	179.5	176.6	-98.9	0	0	0	112.5	K57 C58 T59 N63 R64 I65 V85 L88	K57-Y61 VanDerWaalsContact O-CB 3.26Å; K57-Y61 WeakPolarHBondContact O-CB 3.31Å; K57-Y61 PolarHBondContact O-N 3Å; C58-Y61 CarbonylContact O-C 3.49Å; C58-Y61 WeakPolarHBondContact O-CB 3.04Å; C58-Y61 PolarHBondContact O-N 3.03Å; C58-Y61 VanDerWaalsContact O-N 3.12Å; T59-Y61 VanDerWaalsContact C-N 3.27Å; T59-Y61 PolarHBondContact O-N 3.09Å; Y61-N63 VanDerWaalsContact C-N 3.32Å; Y61-N63 PolarHBondContact O-N 3.29Å; Y61-R64 WeakPolarHBondContact O-CB 3.47Å; Y61-R64 PolarHBondContact O-N 3.24Å; Y61-R64 VanDerWaalsContact O-N 3.07Å; Y61-I65 HydrophobicContact CD1-CD1 3.67Å; Y61-I65 HydrophobicContact CD1-CG1 4.46Å; Y61-I65 HydrophobicContact CE1-CD1 2.98Å; Y61-I65 HydrophobicContact CE1-CG1 3.91Å; Y61-I65 HydrophobicContact CE2-CD1 4.19Å; Y61-I65 HydrophobicContact CE2-CG1 4.24Å; Y61-I65 HydrophobicContact CG-CD1 4.46Å; Y61-I65 PolarHBondContact O-N 3.13Å; Y61-I65 WeakPolarHBondContact OH-CD1 3.46Å; Y61-V85 WeakPolarHBondContact OH-CG1 3.37Å; Y61-L88 HydrophobicContact CD1-CD1 4.1Å; Y61-L88 HydrophobicContact CD2-CD1 4.18Å; Y61-L88 HydrophobicContact CE1-CB 4.49Å; Y61-L88 HydrophobicContact CE1-CD1 3.35Å; Y61-L88 HydrophobicContact CE1-CG 4.33Å; Y61-L88 HydrophobicContact CE2-CD1 3.47Å; Y61-L88 VanDerWaalsContact CE2-CD1 3.47Å; Y61-L88 HydrophobicContact CG-CD1 4.46Å; Y61-L88 WeakPolarHBondContact OH-CD1 2.94Å
62	L	67.2	Low	61.1	Low	9 Å²	9	74.6 Å²	74.6	5%	0.047	36%	0.364	C	S	.	.	H	α-helix	trans	-59.9	-40.7	174.6	-68.5	178.2	0	0	0	111.6	C58 T59 S66 L134 I192	C58-L62 WeakPolarHBondContact O-CB 3.15Å; C58-L62 VanDerWaalsContact O-CG 3.3Å; C58-L62 WeakPolarHBondContact O-CG 3.48Å; C58-L62 PolarHBondContact O-N 3.19Å; T59-L62 PolarHBondContact O-N 2.98Å; L62-S66 WeakPolarHBondContact O-CB 3.15Å; L62-S66 PolarHBondContact O-N 3.44Å; L62-L134 HydrophobicContact CD1-CD1 4.19Å; L62-L134 HydrophobicContact CD1-CD2 4.22Å; L62-I192 HydrophobicContact CD1-CD1 3.53Å
63	N	66.1	Low	59.6	Low	60 Å²	60	73.2 Å²	73.2	32%	0.321	37%	0.365	S	S	.	.	H	α-helix	trans	-64.1	-40.1	172.7	-84.2	-17.5	0	0	0	112.2	T59 Y61 S66 N67 M194	T59-N63 VanDerWaalsContact O-CB 3.32Å; T59-N63 WeakPolarHBondContact O-CB 3.37Å; T59-N63 PolarHBondContact O-N 2.98Å; Y61-N63 VanDerWaalsContact C-N 3.32Å; Y61-N63 PolarHBondContact O-N 3.29Å; N63-S66 PolarHBondContact O-N 3.42Å; N63-N67 VanDerWaalsContact O-CB 3.29Å; N63-N67 WeakPolarHBondContact O-CB 3.35Å; N63-N67 PolarHBondContact O-N 2.75Å; N63-N67 PolarHBondContact O-ND2 3.39Å; N63-N67 VanDerWaalsContact O-ND2 3.16Å; N63-M194 VanDerWaalsContact CG-SD 3.53Å; N63-M194 PolarHBondContact ND2-SD 2.91Å; N63-M194 PolarHBondContact OD1-SD 3.41Å
64	R	64.5	Low	57.9	Low	122 Å²	122	73.4 Å²	73.4	46%	0.46	37%	0.37	S	S	.	.	H	α-helix	trans	-62.4	-50.2	177.2	-172.4	-179.3	69.9	165.7	4.9	110.6	K60 Y61 S66 N67 E68	K60-R64 WeakPolarHBondContact O-CB 3.39Å; K60-R64 PolarHBondContact O-N 2.86Å; Y61-R64 WeakPolarHBondContact O-CB 3.47Å; Y61-R64 PolarHBondContact O-N 3.24Å; Y61-R64 VanDerWaalsContact O-N 3.07Å; R64-S66 PolarHBondContact O-N 3.46Å; R64-N67 PolarHBondContact O-N 3.29Å; R64-N67 VanDerWaalsContact O-N 3.16Å; R64-E68 VanDerWaalsContact CD-OE1 3.25Å; R64-E68 WeakPolarHBondContact CD-OE1 3.42Å; R64-E68 HydrophobicContact CG-CG 4.14Å; R64-E68 WeakPolarHBondContact CG-OE1 3.33Å; R64-E68 IonicContact NE-OE1 3.34Å; R64-E68 WeakPolarHBondContact O-CB 3.22Å; R64-E68 WeakPolarHBondContact O-CG 3.43Å; R64-E68 PolarHBondContact O-N 3.24Å
65	I	55.8	Low	56.4	Low	19 Å²	19	74.1 Å²	74.1	10%	0.097	37%	0.374	C	S	.	.	H	α-helix	trans	-58.2	-48.1	175.7	-66.2	163.7	0	0	0	111.4	Y61 N67 E68 E130 F132	Y61-I65 HydrophobicContact CD1-CD1 3.67Å; Y61-I65 HydrophobicContact CD1-CG1 4.46Å; Y61-I65 HydrophobicContact CE1-CD1 2.98Å; Y61-I65 HydrophobicContact CE1-CG1 3.91Å; Y61-I65 HydrophobicContact CE2-CD1 4.19Å; Y61-I65 HydrophobicContact CE2-CG1 4.24Å; Y61-I65 HydrophobicContact CG-CD1 4.46Å; Y61-I65 PolarHBondContact O-N 3.13Å; Y61-I65 WeakPolarHBondContact OH-CD1 3.46Å; I65-N67 PolarHBondContact O-N 2.71Å; I65-N67 VanDerWaalsContact O-N 3.16Å; I65-E68 PolarHBondContact O-N 2.97Å; I65-E130 HydrophobicContact CG2-CB 4.05Å; I65-E130 HydrophobicContact CG2-CG 4.29Å; I65-E130 WeakPolarHBondContact CG2-OE2 3.41Å; I65-F132 HydrophobicContact CD1-CE2 4.3Å; I65-F132 HydrophobicContact CG2-CE2 4.18Å
66	S	56.7	Low	54.6	Low	59 Å²	59	79.2 Å²	79.2	41%	0.413	40%	0.395	S	S	.	.	H	α-helix	trans	-62.8	-24	-178.8	178.8	0	0	0	0	112.9	L62 N63 R64	L62-S66 WeakPolarHBondContact O-CB 3.15Å; L62-S66 PolarHBondContact O-N 3.44Å; N63-S66 PolarHBondContact O-N 3.42Å; R64-S66 PolarHBondContact O-N 3.46Å
67	N	53.1	Low	52.8	Low	127 Å²	127	81.8 Å²	81.8	68%	0.679	42%	0.417	S	S	*	.	H	α-helix	trans	-98.3	-27.1	-179.1	-71.6	-24.6	0	0	0	113	N63 R64 I65 K69	N63-N67 VanDerWaalsContact O-CB 3.29Å; N63-N67 WeakPolarHBondContact O-CB 3.35Å; N63-N67 PolarHBondContact O-N 2.75Å; N63-N67 PolarHBondContact O-ND2 3.39Å; N63-N67 VanDerWaalsContact O-ND2 3.16Å; R64-N67 PolarHBondContact O-N 3.29Å; R64-N67 VanDerWaalsContact O-N 3.16Å; I65-N67 PolarHBondContact O-N 2.71Å; I65-N67 VanDerWaalsContact O-N 3.16Å; N67-K69 PolarHBondContact O-N 3.48Å
68	E	47.2	Very low	50.8	Low	93 Å²	93	82.7 Å²	82.7	44%	0.435	42%	0.423	S	S	.	.			trans	-68.2	94.2	171.6	-78.7	175	-176.6	0	0	108.4	R64 I65 I70	R64-E68 VanDerWaalsContact CD-OE1 3.25Å; R64-E68 WeakPolarHBondContact CD-OE1 3.42Å; R64-E68 HydrophobicContact CG-CG 4.14Å; R64-E68 WeakPolarHBondContact CG-OE1 3.33Å; R64-E68 IonicContact NE-OE1 3.34Å; R64-E68 WeakPolarHBondContact O-CB 3.22Å; R64-E68 WeakPolarHBondContact O-CG 3.43Å; R64-E68 PolarHBondContact O-N 3.24Å; I65-E68 PolarHBondContact O-N 2.97Å; E68-I70 HydrophobicContact CB-CB 4.44Å; E68-I70 HydrophobicContact CB-CG1 4.41Å; E68-I70 HydrophobicContact CG-CD1 4.4Å; E68-I70 PolarHBondContact O-N 2.85Å
69	K	44.3	Very low	48.9	Very low	206 Å²	206	93 Å²	93	90%	0.896	46%	0.459	S	S	*	.			trans	-65.7	17	161.3	-72.1	-173.7	174.7	-176.9	0	112.6	N67 I71	N67-K69 PolarHBondContact O-N 3.48Å; K69-I71 PolarHBondContact O-N 2.94Å
70	I	35.1	Very low	47	Very low	132 Å²	132	96 Å²	96	68%	0.677	47%	0.47	S	S	*	.			trans	-106.7	70.8	-160.4	-47.3	177.1	0	0	0	109.1	E68	E68-I70 HydrophobicContact CB-CB 4.44Å; E68-I70 HydrophobicContact CB-CG1 4.41Å; E68-I70 HydrophobicContact CG-CD1 4.4Å; E68-I70 PolarHBondContact O-N 2.85Å
71	I	36.7	Very low	45.2	Very low	47 Å²	47	90.1 Å²	90.1	24%	0.241	45%	0.447	C	S	.	.			trans	-123.8	112	146.1	-68	164	0	0	0	105.5	K69 S75 Y76 W80 E130	K69-I71 PolarHBondContact O-N 2.94Å; I71-S75 WeakPolarHBondContact CG2-OG 3.26Å; I71-Y76 HydrophobicContact CG2-CE2 4.03Å; I71-W80 HydrophobicContact CD1-CH2 3.68Å; I71-W80 HydrophobicContact CD1-CZ3 3.46Å; I71-W80 VanDerWaalsContact CD1-CZ3 3.46Å; I71-E130 WeakPolarHBondContact CD1-OE1 3.06Å
72	S	35.6	Very low	43.8	Very low	62 Å²	62	90.5 Å²	90.5	43%	0.434	45%	0.453	S	S	.	.			trans	-55.6	132.2	168.3	169.3	0	0	0	0	107.8	D74 S75	S72-D74 PolarHBondContact O-N 3.33Å; S72-D74 PolarHBondContact OG-N 3.48Å; S72-S75 PolarHBondContact O-N 3.23Å; S72-S75 PolarHBondContact O-OG 2.89Å
73	P	37.1	Very low	42.5	Very low	71 Å²	71	95.7 Å²	95.7	46%	0.461	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-52	-20.3	175.7	-26.2	33.8	0	0	0	114.3	S75 K124	P73-S75 VanDerWaalsContact C-N 3.33Å; P73-K124 HydrophobicContact CB-CD 4.06Å
74	D	37.1	Very low	41.2	Very low	116 Å²	116	96.3 Å²	96.3	62%	0.62	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-76.5	-18.7	179.8	-56.7	-30.5	0	0	0	113.1	S72 Y76 S77	S72-D74 PolarHBondContact O-N 3.33Å; S72-D74 PolarHBondContact OG-N 3.48Å; D74-Y76 VanDerWaalsContact C-N 3.3Å; D74-Y76 PolarHBondContact O-N 2.88Å; D74-S77 PolarHBondContact O-N 3.45Å; D74-S77 PolarHBondContact O-OG 2.85Å
75	S	36.7	Very low	39.9	Very low	46 Å²	46	91.4 Å²	91.4	32%	0.322	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-80.7	-7.8	-179.3	92.3	0	0	0	0	113.9	I71 S72 P73 S77 Q78	I71-S75 WeakPolarHBondContact CG2-OG 3.26Å; S72-S75 PolarHBondContact O-N 3.23Å; S72-S75 PolarHBondContact O-OG 2.89Å; P73-S75 VanDerWaalsContact C-N 3.33Å; S75-S77 PolarHBondContact O-N 3.37Å; S75-Q78 PolarHBondContact O-N 3.28Å; S75-Q78 VanDerWaalsContact O-N 3.17Å
76	Y	36.8	Very low	39.1	Very low	110 Å²	110	93.6 Å²	93.6	43%	0.431	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-67	-17.8	172.2	-73	-76.9	0	0	0	112.2	I71 D74 Q78	I71-Y76 HydrophobicContact CG2-CE2 4.03Å; D74-Y76 VanDerWaalsContact C-N 3.3Å; D74-Y76 PolarHBondContact O-N 2.88Å; Y76-Q78 VanDerWaalsContact C-N 3.34Å
77	S	35.8	Very low	38.3	Very low	102 Å²	102	98.3 Å²	98.3	71%	0.713	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-75.4	-19.3	173.3	68.8	0	0	0	0	113.7	D74 S75	D74-S77 PolarHBondContact O-N 3.45Å; D74-S77 PolarHBondContact O-OG 2.85Å; S75-S77 PolarHBondContact O-N 3.37Å
78	Q	33.2	Very low	37.5	Very low	155 Å²	155	94 Å²	94	72%	0.724	48%	0.481	S	S	*	.	S	Bend	trans	-115.4	92.5	-174.6	-67.5	-173.5	-2	0	0	110.6	S75 Y76	S75-Q78 PolarHBondContact O-N 3.28Å; S75-Q78 VanDerWaalsContact O-N 3.17Å; Y76-Q78 VanDerWaalsContact C-N 3.34Å
79	R	33.8	Very low	37.1	Very low	234 Å²	234	91 Å²	91	88%	0.883	47%	0.468	S	S	*	.			trans	37.7	83.2	165.3	-65.5	-177.6	-174.1	166.6	2.7	114.4	P81	R79-P81 CarbonylContact O-C 3.53Å
80	W	32.4	Very low	36.7	Very low	69 Å²	69	82.5 Å²	82.5	26%	0.261	43%	0.432	S	S	.	.	S	Bend	trans	-70.7	140.2	162.8	-174.1	-101.5	0	0	0	110.8	I71 P82 E130	I71-W80 HydrophobicContact CD1-CH2 3.68Å; I71-W80 HydrophobicContact CD1-CZ3 3.46Å; I71-W80 VanDerWaalsContact CD1-CZ3 3.46Å; W80-P82 HydrophobicContact CE3-CG 4.29Å; W80-P82 HydrophobicContact CH2-CG 4.42Å; W80-P82 HydrophobicContact CZ3-CG 3.82Å; W80-E130 WeakPolarHBondContact CH2-OE1 3.37Å
81	P	36.8	Very low	36.8	Very low	26 Å²	26	85.4 Å²	85.4	17%	0.169	44%	0.44	C	S	.	.	S	Bend	cis	-86.5	153.4	-2.6	35.3	-33.5	0	0	0	112.8	R79 V85 T86 I89	R79-P81 CarbonylContact O-C 3.53Å; P81-V85 HydrophobicContact CB-CG2 3.93Å; P81-T86 HydrophobicContact CG-CG2 4.41Å; P81-I89 HydrophobicContact CB-CD1 3.84Å; P81-I89 HydrophobicContact CG-CD1 3.74Å
82	P	37.8	Very low	36.7	Very low	35 Å²	35	88.7 Å²	88.7	23%	0.227	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-60.1	147.7	-176.7	11.4	-20.6	0	0	0	113	W80 S84 V85 T86	W80-P82 HydrophobicContact CE3-CG 4.29Å; W80-P82 HydrophobicContact CH2-CG 4.42Å; W80-P82 HydrophobicContact CZ3-CG 3.82Å; P82-S84 PolarHBondContact O-N 3.13Å; P82-V85 HydrophobicContact CG-CG2 3.86Å; P82-V85 WeakPolarHBondContact O-CG2 3.5Å; P82-V85 PolarHBondContact O-N 3.26Å; P82-T86 PolarHBondContact O-N 2.88Å; P82-T86 PolarHBondContact O-OG1 2.94Å
83	P	39	Very low	37.2	Very low	118 Å²	118	86.1 Å²	86.1	77%	0.766	43%	0.43	S	S	*	.	H	α-helix	trans	-50.6	-29	178.8	-30.6	36.5	0	0	0	115.1	V85 T86	P83-V85 VanDerWaalsContact C-N 3.25Å; P83-V85 PolarHBondContact O-N 2.64Å; P83-T86 WeakPolarHBondContact CA-OG1 3.36Å; P83-T86 PolarHBondContact O-OG1 3.5Å
84	S	39.5	Very low	37.4	Very low	74 Å²	74	86.5 Å²	86.5	52%	0.517	43%	0.428	S	S	.	.	H	α-helix	trans	-70.4	-15.1	-179.8	57.4	0	0	0	0	114.5	P82 Y87	P82-S84 PolarHBondContact O-N 3.13Å; S84-Y87 VanDerWaalsContact O-CE1 3.26Å; S84-Y87 WeakPolarHBondContact O-CE1 3.46Å
85	V	37.7	Very low	37.4	Very low	19 Å²	19	83.5 Å²	83.5	12%	0.115	42%	0.417	C	S	.	.	H	α-helix	trans	-118.6	-13.8	179.4	-62.4	0	0	0	0	112.9	Y61 P81 P82 P83 Y87 L88 I89	Y61-V85 WeakPolarHBondContact OH-CG1 3.37Å; P81-V85 HydrophobicContact CB-CG2 3.93Å; P82-V85 HydrophobicContact CG-CG2 3.86Å; P82-V85 WeakPolarHBondContact O-CG2 3.5Å; P82-V85 PolarHBondContact O-N 3.26Å; P83-V85 VanDerWaalsContact C-N 3.25Å; P83-V85 PolarHBondContact O-N 2.64Å; V85-Y87 VanDerWaalsContact C-N 3.26Å; V85-Y87 PolarHBondContact O-N 3.32Å; V85-L88 WeakPolarHBondContact O-CB 3.33Å; V85-L88 PolarHBondContact O-N 3.47Å; V85-I89 HydrophobicContact CB-CD1 4.48Å; V85-I89 HydrophobicContact CG2-CD1 4.16Å; V85-I89 PolarHBondContact O-N 2.95Å
86	T	37.9	Very low	37.8	Very low	64 Å²	64	81.6 Å²	81.6	39%	0.393	40%	0.402	S	S	.	.	H	α-helix	trans	-62.5	-29.6	-172	-23.7	0	0	0	0	113.7	P81 P82 P83 L88	P81-T86 HydrophobicContact CG-CG2 4.41Å; P82-T86 PolarHBondContact O-N 2.88Å; P82-T86 PolarHBondContact O-OG1 2.94Å; P83-T86 WeakPolarHBondContact CA-OG1 3.36Å; P83-T86 PolarHBondContact O-OG1 3.5Å; T86-L88 VanDerWaalsContact C-N 3.27Å; T86-L88 PolarHBondContact O-N 3Å
87	Y	40.6	Very low	38.2	Very low	159 Å²	159	77 Å²	77	62%	0.624	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-9.4	177.5	73.6	-87.7	0	0	0	113.6	S84 V85	S84-Y87 VanDerWaalsContact O-CE1 3.26Å; S84-Y87 WeakPolarHBondContact O-CE1 3.46Å; V85-Y87 VanDerWaalsContact C-N 3.26Å; V85-Y87 PolarHBondContact O-N 3.32Å
88	L	35.9	Very low	38.6	Very low	37 Å²	37	75.7 Å²	75.7	19%	0.194	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-15.2	-178.2	-66.7	156.7	0	0	0	112.5	Y44 Y61 V85 T86	Y44-L88 WeakPolarHBondContact CD2-O 3.42Å; Y44-L88 HydrophobicContact CE2-CB 4.42Å; Y44-L88 WeakPolarHBondContact CE2-O 3.27Å; Y61-L88 HydrophobicContact CD1-CD1 4.1Å; Y61-L88 HydrophobicContact CD2-CD1 4.18Å; Y61-L88 HydrophobicContact CE1-CB 4.49Å; Y61-L88 HydrophobicContact CE1-CD1 3.35Å; Y61-L88 HydrophobicContact CE1-CG 4.33Å; Y61-L88 HydrophobicContact CE2-CD1 3.47Å; Y61-L88 VanDerWaalsContact CE2-CD1 3.47Å; Y61-L88 HydrophobicContact CG-CD1 4.46Å; Y61-L88 WeakPolarHBondContact OH-CD1 2.94Å; V85-L88 WeakPolarHBondContact O-CB 3.33Å; V85-L88 PolarHBondContact O-N 3.47Å; T86-L88 VanDerWaalsContact C-N 3.27Å; T86-L88 PolarHBondContact O-N 3Å
89	I	38.5	Very low	39.3	Very low	30 Å²	30	69.4 Å²	69.4	15%	0.154	35%	0.345	C	S	.	.	S	Bend	trans	-88.9	118.1	175	-58.3	164.2	0	0	0	105.8	P81 V85 K91 L93 N94	P81-I89 HydrophobicContact CB-CD1 3.84Å; P81-I89 HydrophobicContact CG-CD1 3.74Å; V85-I89 HydrophobicContact CB-CD1 4.48Å; V85-I89 HydrophobicContact CG2-CD1 4.16Å; V85-I89 PolarHBondContact O-N 2.95Å; I89-K91 PolarHBondContact O-N 3.09Å; I89-L93 HydrophobicContact CG2-CB 4.25Å; I89-N94 VanDerWaalsContact CG2-OD1 3.24Å; I89-N94 WeakPolarHBondContact CG2-OD1 3.34Å
90	D	37	Very low	40	Very low	27 Å²	27	58.2 Å²	58.2	14%	0.144	30%	0.302	C	S	.	.			trans	-50.6	128	164.4	-177	-34.5	0	0	0	106.8	E43 R92 L93	E43-D90 WeakPolarHBondContact CB-OD2 3.48Å; D90-R92 PolarHBondContact O-N 3.22Å; D90-R92 WeakPolarHBondContact OD1-CB 3.43Å; D90-R92 PolarHBondContact OD1-N 3.49Å; D90-R92 IonicContact OD1-NE 2.72Å; D90-R92 PolarHBondContact OD1-NE 2.81Å; D90-R92 IonicContact OD2-CZ 2.72Å; D90-R92 IonicContact OD2-NE 3.81Å; D90-R92 IonicContact OD2-NH2 3.46Å; D90-R92 PolarHBondContact OD2-NH2 2.87Å; D90-L93 HydrophobicContact CB-CB 4.26Å; D90-L93 HydrophobicContact CB-CD1 3.64Å; D90-L93 HydrophobicContact CB-CG 3.86Å; D90-L93 WeakPolarHBondContact O-CB 3.44Å; D90-L93 PolarHBondContact O-N 2.96Å
91	K	36.7	Very low	40.8	Very low	193 Å²	193	55.6 Å²	55.6	84%	0.839	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-14.8	-176.9	-73.8	-177.3	175.7	-179.4	0	112.9	I89	I89-K91 PolarHBondContact O-N 3.09Å
92	R	34.6	Very low	41.4	Very low	116 Å²	116	58 Å²	58	44%	0.438	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-9.4	175.3	-59.8	176.6	-72.2	-177.3	1.4	114.9	E41 E43 D90	E41-R92 IonicContact OE1-NH1 3.28Å; E41-R92 IonicContact OE2-CZ 4Å; E41-R92 IonicContact OE2-NH1 3.67Å; E41-R92 PolarHBondContact OE2-NH1 3.49Å; E41-R92 IonicContact OE2-NH2 3.48Å; E41-R92 PolarHBondContact OE2-NH2 2.73Å; E43-R92 IonicContact OE2-NH2 3.69Å; E43-R92 PolarHBondContact OE2-NH2 2.92Å; D90-R92 PolarHBondContact O-N 3.22Å; D90-R92 WeakPolarHBondContact OD1-CB 3.43Å; D90-R92 PolarHBondContact OD1-N 3.49Å; D90-R92 IonicContact OD1-NE 2.72Å; D90-R92 PolarHBondContact OD1-NE 2.81Å; D90-R92 IonicContact OD2-CZ 2.72Å; D90-R92 IonicContact OD2-NE 3.81Å; D90-R92 IonicContact OD2-NH2 3.46Å; D90-R92 PolarHBondContact OD2-NH2 2.87Å
93	L	47	Very low	41.7	Very low	8 Å²	8	57.2 Å²	57.2	4%	0.042	30%	0.296	C	S	.	.			trans	-100.6	-0.1	-175.5	-72	174.7	0	0	0	114.8	I89 D90 S95 F96 N97	I89-L93 HydrophobicContact CG2-CB 4.25Å; D90-L93 HydrophobicContact CB-CB 4.26Å; D90-L93 HydrophobicContact CB-CD1 3.64Å; D90-L93 HydrophobicContact CB-CG 3.86Å; D90-L93 WeakPolarHBondContact O-CB 3.44Å; D90-L93 PolarHBondContact O-N 2.96Å; L93-S95 VanDerWaalsContact C-N 3.31Å; L93-S95 PolarHBondContact O-N 2.88Å; L93-F96 HydrophobicContact CD2-CB 4.33Å; L93-F96 PolarHBondContact O-N 2.78Å; L93-N97 PolarHBondContact O-N 3.22Å
94	N	39.8	Very low	41.8	Very low	78 Å²	78	54 Å²	54	42%	0.417	27%	0.272	S	S	.	.	H	α-helix	trans	-55.6	-45.1	179.4	-84.8	-13.1	0	0	0	111.9	I89 L98	I89-N94 VanDerWaalsContact CG2-OD1 3.24Å; I89-N94 WeakPolarHBondContact CG2-OD1 3.34Å; N94-L98 WeakPolarHBondContact O-CB 3.48Å; N94-L98 PolarHBondContact O-N 2.75Å
95	S	38.1	Very low	41.9	Very low	54 Å²	54	54.4 Å²	54.4	38%	0.378	28%	0.28	S	S	.	.	H	α-helix	trans	-69.5	-38.8	-179.5	45	0	0	0	0	113.1	L93 A99	L93-S95 VanDerWaalsContact C-N 3.31Å; L93-S95 PolarHBondContact O-N 2.88Å; S95-A99 WeakPolarHBondContact O-CB 3.32Å; S95-A99 PolarHBondContact O-N 3.46Å
96	F	44.4	Very low	42	Very low	5 Å²	5	59.6 Å²	59.6	2%	0.022	30%	0.303	C	S	.	.	H	α-helix	trans	-66.5	-54.2	-176.9	-176.1	-79.9	0	0	0	112.2	I39 L93 L98 A99 L100 A133 V136 F268	I39-F96 HydrophobicContact CD1-CD2 3.9Å; I39-F96 HydrophobicContact CG1-CD2 4.28Å; I39-F96 HydrophobicContact CG2-CD2 3.64Å; I39-F96 HydrophobicContact CG2-CE2 4.26Å; I39-F96 HydrophobicContact CG2-CG 4.42Å; L93-F96 HydrophobicContact CD2-CB 4.33Å; L93-F96 PolarHBondContact O-N 2.78Å; F96-L98 VanDerWaalsContact C-N 3.29Å; F96-L98 PolarHBondContact O-N 3.35Å; F96-A99 PolarHBondContact O-N 3.05Å; F96-L100 HydrophobicContact CD1-CD1 4.14Å; F96-L100 HydrophobicContact CD1-CG 4.49Å; F96-L100 HydrophobicContact CE1-CD1 3.49Å; F96-L100 VanDerWaalsContact CE1-CD1 3.49Å; F96-L100 HydrophobicContact CE1-CG 4.01Å; F96-L100 HydrophobicContact CZ-CD1 4.3Å; F96-L100 PolarHBondContact O-N 2.62Å; F96-L100 VanDerWaalsContact O-N 3.08Å; F96-A133 HydrophobicContact CD1-CB 4.29Å; F96-A133 HydrophobicContact CE1-CB 3.3Å; F96-A133 HydrophobicContact CZ-CB 3.78Å; F96-V136 HydrophobicContact CE1-CG1 4.14Å; F96-V136 HydrophobicContact CE2-CG1 3.68Å; F96-V136 HydrophobicContact CZ-CG1 3.31Å; F96-F268 HydrophobicContact CB-CE1 4.35Å; F96-F268 HydrophobicContact CB-CZ 4.14Å; F96-F268 HydrophobicContact CD1-CE2 4.29Å; F96-F268 AromaticContact CD1-CZ 3.92Å; F96-F268 HydrophobicContact CD1-CZ 3.92Å; F96-F268 AromaticContact CD2-CD1 3.86Å; F96-F268 HydrophobicContact CD2-CD1 3.86Å; F96-F268 HydrophobicContact CD2-CD2 4.27Å; F96-F268 AromaticContact CD2-CE1 3.13Å; F96-F268 HydrophobicContact CD2-CE1 3.13Å; F96-F268 AromaticContact CD2-CE2 3.63Å; F96-F268 HydrophobicContact CD2-CE2 3.63Å; F96-F268 HydrophobicContact CD2-CG 4.38Å; F96-F268 AromaticContact CD2-CZ 3Å; F96-F268 HydrophobicContact CD2-CZ 3Å; F96-F268 AromaticContact CE1-CE2 3.82Å; F96-F268 HydrophobicContact CE1-CE2 3.82Å; F96-F268 AromaticContact CE1-CZ 3.93Å; F96-F268 HydrophobicContact CE1-CZ 3.93Å; F96-F268 AromaticContact CE2-CD1 3.76Å; F96-F268 HydrophobicContact CE2-CD1 3.76Å; F96-F268 AromaticContact CE2-CD2 3.51Å; F96-F268 HydrophobicContact CE2-CD2 3.51Å; F96-F268 AromaticContact CE2-CE1 3.4Å; F96-F268 HydrophobicContact CE2-CE1 3.4Å; F96-F268 AromaticContact CE2-CE2 3.12Å; F96-F268 HydrophobicContact CE2-CE2 3.12Å; F96-F268 AromaticContact CE2-CG 3.82Å; F96-F268 HydrophobicContact CE2-CG 3.82Å; F96-F268 AromaticContact CE2-CZ 3.07Å; F96-F268 HydrophobicContact CE2-CZ 3.07Å; F96-F268 AromaticContact CG-CE1 3.89Å; F96-F268 HydrophobicContact CG-CE1 3.89Å; F96-F268 HydrophobicContact CG-CE2 4.17Å; F96-F268 AromaticContact CG-CZ 3.44Å; F96-F268 HydrophobicContact CG-CZ 3.44Å; F96-F268 VanDerWaalsContact CG-CZ 3.44Å; F96-F268 AromaticContact CZ-CD2 3.78Å; F96-F268 HydrophobicContact CZ-CD2 3.78Å; F96-F268 HydrophobicContact CZ-CE1 4.3Å; F96-F268 AromaticContact CZ-CE2 3.21Å; F96-F268 HydrophobicContact CZ-CE2 3.21Å; F96-F268 AromaticContact CZ-CZ 3.54Å; F96-F268 HydrophobicContact CZ-CZ 3.54Å; F96-F268 WeakPolarHBondContact O-CZ 3.4Å
97	N	46.5	Very low	42.1	Very low	15 Å²	15	57.8 Å²	57.8	8%	0.08	29%	0.291	C	S	.	.	H	α-helix	trans	-70.6	-30.3	-179.4	-69.4	-46.3	0	0	0	111.5	L93 L100 Q101 F132 A133	L93-N97 PolarHBondContact O-N 3.22Å; N97-L100 PolarHBondContact O-N 3.32Å; N97-Q101 WeakPolarHBondContact O-CG 3.3Å; N97-Q101 PolarHBondContact O-N 3.34Å; N97-F132 HydrophobicContact CB-CD1 3.96Å; N97-F132 HydrophobicContact CB-CE1 4.28Å; N97-A133 PolarHBondContact OD1-N 3.31Å
98	L	44.3	Very low	41.9	Very low	73 Å²	73	53.4 Å²	53.4	38%	0.382	29%	0.288	S	S	.	.	H	α-helix	trans	-63.1	-41.5	170.2	-168.7	77.6	0	0	0	111.4	N94 F96 L100 Q101 F102	N94-L98 WeakPolarHBondContact O-CB 3.48Å; N94-L98 PolarHBondContact O-N 2.75Å; F96-L98 VanDerWaalsContact C-N 3.29Å; F96-L98 PolarHBondContact O-N 3.35Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 3.02Å; L98-Q101 CarbonylContact O-C 3.55Å; L98-Q101 PolarHBondContact O-N 3.3Å; L98-Q101 VanDerWaalsContact O-N 3.09Å; L98-F102 HydrophobicContact CD1-CD2 3.47Å; L98-F102 VanDerWaalsContact CD1-CD2 3.47Å; L98-F102 HydrophobicContact CD1-CE2 3.47Å; L98-F102 VanDerWaalsContact CD1-CE2 3.47Å; L98-F102 HydrophobicContact CG-CD2 3.82Å; L98-F102 HydrophobicContact CG-CE2 4.33Å; L98-F102 WeakPolarHBondContact O-CB 3.32Å; L98-F102 PolarHBondContact O-N 3.1Å
99	A	46.2	Very low	41.8	Very low	23 Å²	23	57.7 Å²	57.7	19%	0.19	32%	0.315	C	S	.	.	H	α-helix	trans	-66	-34	176.5	0	0	0	0	0	112.8	S95 F96 Q101 F102 S103 A267 F268	S95-A99 WeakPolarHBondContact O-CB 3.32Å; S95-A99 PolarHBondContact O-N 3.46Å; F96-A99 PolarHBondContact O-N 3.05Å; A99-Q101 VanDerWaalsContact C-N 3.33Å; A99-F102 CarbonylContact O-C 3.58Å; A99-S103 PolarHBondContact O-N 3.01Å; A99-A267 HydrophobicContact CB-CB 3.95Å; A99-F268 HydrophobicContact CB-CE1 4.36Å; A99-F268 HydrophobicContact CB-CZ 3.99Å
100	L	49.7	Very low	42	Very low	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-68.4	-29.5	170.1	-71.9	-178.3	0	0	0	113.1	F96 N97 L98 M131 A133 F260 R263 W264 F268	F96-L100 HydrophobicContact CD1-CD1 4.14Å; F96-L100 HydrophobicContact CD1-CG 4.49Å; F96-L100 HydrophobicContact CE1-CD1 3.49Å; F96-L100 VanDerWaalsContact CE1-CD1 3.49Å; F96-L100 HydrophobicContact CE1-CG 4.01Å; F96-L100 HydrophobicContact CZ-CD1 4.3Å; F96-L100 PolarHBondContact O-N 2.62Å; F96-L100 VanDerWaalsContact O-N 3.08Å; N97-L100 PolarHBondContact O-N 3.32Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 3.02Å; L100-M131 WeakPolarHBondContact CD1-O 3.28Å; L100-A133 HydrophobicContact CD1-CB 4.3Å; L100-F260 HydrophobicContact CD1-CD2 4.36Å; L100-F260 HydrophobicContact CD1-CE2 3.92Å; L100-R263 HydrophobicContact CD2-CB 3.74Å; L100-R263 WeakPolarHBondContact O-CD 3.29Å; L100-R263 PolarHBondContact O-NH1 3.4Å; L100-W264 HydrophobicContact CD2-CB 4.25Å; L100-F268 HydrophobicContact CD2-CE2 3.88Å; L100-F268 HydrophobicContact CG-CE2 4.03Å
101	Q	49.6	Very low	42.5	Very low	14 Å²	14	62.6 Å²	62.6	7%	0.065	35%	0.349	C	S	.	.	H	α-helix	trans	-82.8	-35.5	176.5	-77.4	-174	-20	0	0	112.9	N97 L98 A99 N128	N97-Q101 WeakPolarHBondContact O-CG 3.3Å; N97-Q101 PolarHBondContact O-N 3.34Å; L98-Q101 CarbonylContact O-C 3.55Å; L98-Q101 PolarHBondContact O-N 3.3Å; L98-Q101 VanDerWaalsContact O-N 3.09Å; A99-Q101 VanDerWaalsContact C-N 3.33Å; Q101-N128 PolarHBondContact O-ND2 3.2Å
102	F	48.6	Very low	43.1	Very low	76 Å²	76	60.9 Å²	60.9	33%	0.333	34%	0.342	S	S	.	.			trans	-121.1	65.1	-177	-64.9	-85.1	0	0	0	110.2	L98 A99 L104 A105	L98-F102 HydrophobicContact CD1-CD2 3.47Å; L98-F102 VanDerWaalsContact CD1-CD2 3.47Å; L98-F102 HydrophobicContact CD1-CE2 3.47Å; L98-F102 VanDerWaalsContact CD1-CE2 3.47Å; L98-F102 HydrophobicContact CG-CD2 3.82Å; L98-F102 HydrophobicContact CG-CE2 4.33Å; L98-F102 WeakPolarHBondContact O-CB 3.32Å; L98-F102 PolarHBondContact O-N 3.1Å; A99-F102 CarbonylContact O-C 3.58Å; F102-L104 PolarHBondContact O-N 2.97Å; F102-A105 HydrophobicContact CB-CB 4.05Å; F102-A105 PolarHBondContact O-N 2.84Å
103	S	43.8	Very low	43.7	Very low	18 Å²	18	56.7 Å²	56.7	13%	0.126	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-19	168.4	-45.7	0	0	0	0	112	A99	A99-S103 PolarHBondContact O-N 3.01Å
104	L	42.4	Very low	43.8	Very low	50 Å²	50	61.6 Å²	61.6	26%	0.262	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-31.5	175.1	-66.1	166.4	0	0	0	115.1	F102 H106 T361 F365	F102-L104 PolarHBondContact O-N 2.97Å; L104-H106 VanDerWaalsContact C-N 3.3Å; L104-H106 PolarHBondContact O-N 3.31Å; L104-T361 HydrophobicContact CD2-CG2 3.48Å; L104-T361 VanDerWaalsContact CD2-CG2 3.48Å; L104-T361 HydrophobicContact CG-CG2 4.44Å; L104-F365 HydrophobicContact CD1-CE2 4.23Å; L104-F365 HydrophobicContact CD1-CZ 3.92Å; L104-F365 HydrophobicContact CD2-CE2 4.43Å
105	A	39.8	Very low	44.4	Very low	83 Å²	83	64.3 Å²	64.3	69%	0.686	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-22.3	-165.3	0	0	0	0	0	114	F102	F102-A105 HydrophobicContact CB-CB 4.05Å; F102-A105 PolarHBondContact O-N 2.84Å
106	H	41.7	Very low	45	Very low	128 Å²	128	62.7 Å²	62.7	59%	0.593	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-12.8	-170.2	-131.7	-40.8	0	0	0	114.7	L104	L104-H106 VanDerWaalsContact C-N 3.3Å; L104-H106 PolarHBondContact O-N 3.31Å
107	N	39.6	Very low	45.2	Very low	27 Å²	27	67.5 Å²	67.5	14%	0.144	37%	0.371	C	S	.	.			trans	-135.2	20.4	-162	-117.8	34.8	0	0	0	116.5	T109 D110 D113 K271	N107-T109 PolarHBondContact O-N 3Å; N107-D110 PolarHBondContact O-N 3.49Å; N107-D113 PolarHBondContact ND2-OD2 3.22Å; N107-K271 WeakPolarHBondContact OD1-CE 3.3Å; N107-K271 PolarHBondContact OD1-NZ 3.35Å
108	A	36	Very low	45.4	Very low	67 Å²	67	71.1 Å²	71.1	55%	0.554	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	13.2	172.3	0	0	0	0	0	114.6	Y117	A108-Y117 HydrophobicContact CB-CD2 4.47Å; A108-Y117 HydrophobicContact CB-CE2 4.14Å
109	T	32.9	Very low	45.6	Very low	126 Å²	126	73.6 Å²	73.6	77%	0.773	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-4.2	-174.3	57.1	0	0	0	0	114.6	N107	N107-T109 PolarHBondContact O-N 3Å
110	D	44	Very low	45.8	Very low	69 Å²	69	73.7 Å²	73.7	37%	0.369	39%	0.394	S	S	.	.			trans	-91.7	119.7	172.6	-166.9	-31.3	0	0	0	110	N107 K112 D113 E114	N107-D110 PolarHBondContact O-N 3.49Å; D110-K112 PolarHBondContact O-N 2.01Å; D110-K112 VanDerWaalsContact O-N 3.17Å; D110-K112 PolarHBondContact OD1-N 3.07Å; D110-D113 HydrophobicContact CB-CB 4.32Å; D110-D113 PolarHBondContact O-N 2.82Å; D110-E114 PolarHBondContact O-N 3.41Å
111	S	46	Very low	45.8	Very low	91 Å²	91	76.3 Å²	76.3	64%	0.636	42%	0.415	S	S	*	.	H	α-helix	trans	-61.9	-22.8	-178.6	59	0	0	0	0	113.4	D113 E114	S111-D113 VanDerWaalsContact C-N 3.33Å; S111-E114 WeakPolarHBondContact O-CB 3.29Å; S111-E114 PolarHBondContact O-N 3.07Å
112	K	49.9	Very low	45.7	Very low	158 Å²	158	83.2 Å²	83.2	69%	0.687	45%	0.453	S	S	*	.	H	α-helix	trans	-75.9	-22.3	174.3	-67.3	-178.5	-179.8	177.7	0	113.1	D110	D110-K112 PolarHBondContact O-N 2.01Å; D110-K112 VanDerWaalsContact O-N 3.17Å; D110-K112 PolarHBondContact OD1-N 3.07Å
113	D	47.6	Very low	45.7	Very low	28 Å²	28	84.9 Å²	84.9	15%	0.15	46%	0.463	C	S	.	.	H	α-helix	trans	-90	-10.5	175.4	-72.5	-27.7	0	0	0	111.7	N107 D110 S111 D115 L116 Y117	N107-D113 PolarHBondContact ND2-OD2 3.22Å; D110-D113 HydrophobicContact CB-CB 4.32Å; D110-D113 PolarHBondContact O-N 2.82Å; S111-D113 VanDerWaalsContact C-N 3.33Å; D113-D115 PolarHBondContact O-N 3.17Å; D113-L116 CarbonylContact O-C 3.59Å; D113-L116 WeakPolarHBondContact O-CA 3.5Å; D113-L116 WeakPolarHBondContact O-CB 3.43Å; D113-L116 PolarHBondContact O-N 3.16Å; D113-Y117 WeakPolarHBondContact O-CB 3.47Å; D113-Y117 PolarHBondContact O-N 3.44Å
114	E	49.2	Very low	46.2	Very low	110 Å²	110	90.5 Å²	90.5	51%	0.514	49%	0.485	S	S	.	.	H	α-helix	trans	-59.3	-44.9	-178.1	-171.4	174.7	179.3	0	0	112.4	D110 S111 L116 Y117 N118	D110-E114 PolarHBondContact O-N 3.41Å; S111-E114 WeakPolarHBondContact O-CB 3.29Å; S111-E114 PolarHBondContact O-N 3.07Å; E114-L116 VanDerWaalsContact C-N 3.27Å; E114-L116 PolarHBondContact O-N 2.93Å; E114-Y117 PolarHBondContact O-N 2.79Å; E114-N118 VanDerWaalsContact O-CB 3.29Å; E114-N118 WeakPolarHBondContact O-CB 3.45Å; E114-N118 VanDerWaalsContact O-CG 3.22Å; E114-N118 PolarHBondContact O-N 3.15Å; E114-N118 PolarHBondContact O-ND2 3.44Å
115	D	52.9	Low	47	Very low	135 Å²	135	91 Å²	91	72%	0.722	49%	0.491	S	S	*	.	H	α-helix	trans	-60.4	-37.9	174.4	-84.8	-7.9	0	0	0	112.3	D113 K119	D113-D115 PolarHBondContact O-N 3.17Å; D115-K119 WeakPolarHBondContact O-CB 3.47Å; D115-K119 PolarHBondContact O-N 2.84Å
116	L	49.9	Very low	47.9	Very low	20 Å²	20	92.8 Å²	92.8	11%	0.105	49%	0.488	C	S	.	.	H	α-helix	trans	-70	-43.3	177.8	-159.8	83.5	0	0	0	110.3	D113 E114 K119 F120 R358 T361 L383	D113-L116 CarbonylContact O-C 3.59Å; D113-L116 WeakPolarHBondContact O-CA 3.5Å; D113-L116 WeakPolarHBondContact O-CB 3.43Å; D113-L116 PolarHBondContact O-N 3.16Å; E114-L116 VanDerWaalsContact C-N 3.27Å; E114-L116 PolarHBondContact O-N 2.93Å; L116-K119 PolarHBondContact O-N 3.4Å; L116-F120 HydrophobicContact CD1-CD2 4.39Å; L116-F120 HydrophobicContact CD1-CE2 3.78Å; L116-F120 HydrophobicContact CG-CD2 3.92Å; L116-F120 HydrophobicContact CG-CE2 3.8Å; L116-F120 WeakPolarHBondContact O-CD2 3.41Å; L116-F120 PolarHBondContact O-N 2.87Å; L116-F120 VanDerWaalsContact O-N 3.16Å; L116-R358 HydrophobicContact CD2-CB 4.49Å; L116-R358 HydrophobicContact CD2-CG 4.46Å; L116-T361 HydrophobicContact CD2-CG2 3.75Å; L116-L383 HydrophobicContact CD1-CD2 3.4Å
117	Y	49.5	Very low	48.5	Very low	107 Å²	107	87.7 Å²	87.7	42%	0.42	47%	0.466	S	S	.	.	H	α-helix	trans	-62.9	-52.7	177.4	-166.8	-90.3	0	0	0	109.9	A108 D113 E114 K119 F120 A121	A108-Y117 HydrophobicContact CB-CD2 4.47Å; A108-Y117 HydrophobicContact CB-CE2 4.14Å; D113-Y117 WeakPolarHBondContact O-CB 3.47Å; D113-Y117 PolarHBondContact O-N 3.44Å; E114-Y117 PolarHBondContact O-N 2.79Å; Y117-K119 VanDerWaalsContact C-N 3.27Å; Y117-K119 PolarHBondContact O-N 3.44Å; Y117-F120 CarbonylContact O-C 3.55Å; Y117-F120 PolarHBondContact O-N 2.96Å; Y117-A121 HydrophobicContact CD1-CB 4.03Å; Y117-A121 HydrophobicContact CE1-CB 3.96Å; Y117-A121 WeakPolarHBondContact O-CA 3.5Å; Y117-A121 WeakPolarHBondContact O-CB 3.12Å; Y117-A121 PolarHBondContact O-N 2.74Å
118	N	49.4	Very low	49.4	Very low	91 Å²	91	88.2 Å²	88.2	49%	0.487	47%	0.468	S	S	.	.	H	α-helix	trans	-58.7	-37.7	176.9	-70.2	-20.3	0	0	0	112.2	E114 F120	E114-N118 VanDerWaalsContact O-CB 3.29Å; E114-N118 WeakPolarHBondContact O-CB 3.45Å; E114-N118 VanDerWaalsContact O-CG 3.22Å; E114-N118 PolarHBondContact O-N 3.15Å; E114-N118 PolarHBondContact O-ND2 3.44Å; N118-F120 VanDerWaalsContact C-N 3.27Å; N118-F120 PolarHBondContact O-N 2.77Å
119	K	50	Low	50.4	Low	124 Å²	124	86.8 Å²	86.8	54%	0.539	45%	0.453	S	S	.	.	H	α-helix	trans	-65.3	-28.6	175.9	-174.8	174.8	-175.5	175.6	0	113.5	D115 L116 Y117	D115-K119 WeakPolarHBondContact O-CB 3.47Å; D115-K119 PolarHBondContact O-N 2.84Å; L116-K119 PolarHBondContact O-N 3.4Å; Y117-K119 VanDerWaalsContact C-N 3.27Å; Y117-K119 PolarHBondContact O-N 3.44Å
120	F	49.2	Very low	51.6	Low	26 Å²	26	82.9 Å²	82.9	11%	0.114	43%	0.426	C	S	.	.	H	α-helix	trans	-114.6	-9.7	-175.7	-65.5	-57.8	0	0	0	114.9	L116 Y117 N118 D122 M123 F365	L116-F120 HydrophobicContact CD1-CD2 4.39Å; L116-F120 HydrophobicContact CD1-CE2 3.78Å; L116-F120 HydrophobicContact CG-CD2 3.92Å; L116-F120 HydrophobicContact CG-CE2 3.8Å; L116-F120 WeakPolarHBondContact O-CD2 3.41Å; L116-F120 PolarHBondContact O-N 2.87Å; L116-F120 VanDerWaalsContact O-N 3.16Å; Y117-F120 CarbonylContact O-C 3.55Å; Y117-F120 PolarHBondContact O-N 2.96Å; N118-F120 VanDerWaalsContact C-N 3.27Å; N118-F120 PolarHBondContact O-N 2.77Å; F120-D122 PolarHBondContact O-N 2.98Å; F120-M123 HydrophobicContact CD1-SD 3.88Å; F120-M123 HydrophobicContact CE1-SD 4.32Å; F120-M123 WeakPolarHBondContact O-CA 3.36Å; F120-M123 WeakPolarHBondContact O-CB 3.44Å; F120-M123 PolarHBondContact O-N 3.38Å; F120-M123 VanDerWaalsContact O-O 3.13Å; F120-F365 HydrophobicContact CB-CD1 4.32Å; F120-F365 HydrophobicContact CB-CD2 4.17Å; F120-F365 HydrophobicContact CB-CE1 3.92Å; F120-F365 HydrophobicContact CB-CE2 3.77Å; F120-F365 HydrophobicContact CB-CG 4.44Å; F120-F365 HydrophobicContact CB-CZ 3.63Å; F120-F365 HydrophobicContact CD1-CB 3.78Å; F120-F365 AromaticContact CD1-CD1 3.72Å; F120-F365 HydrophobicContact CD1-CD1 3.72Å; F120-F365 AromaticContact CD1-CD2 3.69Å; F120-F365 HydrophobicContact CD1-CD2 3.69Å; F120-F365 HydrophobicContact CD1-CE1 4.2Å; F120-F365 HydrophobicContact CD1-CE2 4.19Å; F120-F365 AromaticContact CD1-CG 3.44Å; F120-F365 HydrophobicContact CD1-CG 3.44Å; F120-F365 VanDerWaalsContact CD1-CG 3.44Å; F120-F365 HydrophobicContact CD1-CZ 4.42Å; F120-F365 AromaticContact CD2-CD2 3.97Å; F120-F365 HydrophobicContact CD2-CD2 3.97Å; F120-F365 HydrophobicContact CD2-CE2 4.12Å; F120-F365 HydrophobicContact CE1-CB 3.52Å; F120-F365 HydrophobicContact CE1-CD1 4.35Å; F120-F365 HydrophobicContact CE1-CD2 4.01Å; F120-F365 AromaticContact CE1-CG 3.71Å; F120-F365 HydrophobicContact CE1-CG 3.71Å; F120-F365 HydrophobicContact CE2-CD2 4.27Å; F120-F365 HydrophobicContact CG-CD1 4.21Å; F120-F365 AromaticContact CG-CD2 3.69Å; F120-F365 HydrophobicContact CG-CD2 3.69Å; F120-F365 HydrophobicContact CG-CE1 4.29Å; F120-F365 AromaticContact CG-CE2 3.79Å; F120-F365 HydrophobicContact CG-CE2 3.79Å; F120-F365 AromaticContact CG-CG 3.92Å; F120-F365 HydrophobicContact CG-CG 3.92Å; F120-F365 HydrophobicContact CG-CZ 4.09Å; F120-F365 HydrophobicContact CZ-CB 4.17Å; F120-F365 HydrophobicContact CZ-CD2 4.29Å; F120-F365 HydrophobicContact CZ-CG 4.39Å
121	A	49.3	Very low	52.7	Low	54 Å²	54	79.9 Å²	79.9	45%	0.446	41%	0.41	S	S	.	.	H	α-helix	trans	-60.2	-37.1	-173.4	0	0	0	0	0	111.5	Y117	Y117-A121 HydrophobicContact CD1-CB 4.03Å; Y117-A121 HydrophobicContact CE1-CB 3.96Å; Y117-A121 WeakPolarHBondContact O-CA 3.5Å; Y117-A121 WeakPolarHBondContact O-CB 3.12Å; Y117-A121 PolarHBondContact O-N 2.74Å
122	D	48.9	Very low	53.9	Low	160 Å²	160	77.1 Å²	77.1	86%	0.856	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-8.3	176.4	-60.3	-32.6	0	0	0	113	F120	F120-D122 PolarHBondContact O-N 2.98Å
123	M	48.8	Very low	55.1	Low	111 Å²	111	69.8 Å²	69.8	55%	0.547	36%	0.355	S	S	.	.	S	Bend	trans	-90.5	130.1	-179.1	-66.1	-167.9	165.5	0	0	110.8	F120 F365	F120-M123 HydrophobicContact CD1-SD 3.88Å; F120-M123 HydrophobicContact CE1-SD 4.32Å; F120-M123 WeakPolarHBondContact O-CA 3.36Å; F120-M123 WeakPolarHBondContact O-CB 3.44Å; F120-M123 PolarHBondContact O-N 3.38Å; F120-M123 VanDerWaalsContact O-O 3.13Å; M123-F365 HydrophobicContact CB-CD1 4.18Å; M123-F365 HydrophobicContact CB-CE1 4.2Å; M123-F365 WeakPolarHBondContact O-CE1 3.44Å
124	K	53.6	Low	56.5	Low	136 Å²	136	68.6 Å²	68.6	59%	0.591	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-72.2	135.7	166.5	-66.8	-176.9	179.1	-177.7	0	109.1	P73 I126	P73-K124 HydrophobicContact CB-CD 4.06Å; K124-I126 PolarHBondContact O-N 3.34Å
125	P	59.4	Low	57.9	Low	60 Å²	60	64 Å²	64	39%	0.39	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-51.1	128.2	171.6	-27.9	35.1	0	0	0	111.3	N128 A364 F365	P125-N128 HydrophobicContact CB-CB 3.96Å; P125-A364 CarbonylContact C-O 3.56Å; P125-A364 VanDerWaalsContact CA-O 3.28Å; P125-A364 WeakPolarHBondContact CA-O 3.32Å; P125-A364 HydrophobicContact CB-CB 4.32Å; P125-A364 WeakPolarHBondContact CB-O 3.38Å; P125-F365 HydrophobicContact CB-CE1 4.44Å; P125-F365 HydrophobicContact CG-CE1 4.06Å; P125-F365 HydrophobicContact CG-CZ 4.35Å
126	I	58.6	Low	59.3	Low	121 Å²	121	58.2 Å²	58.2	62%	0.621	30%	0.297	S	S	*	.	S	Bend	trans	-78.2	-33.2	-178.9	-58.6	-175.7	0	0	0	110.2	K124 A364 F365 K367	K124-I126 PolarHBondContact O-N 3.34Å; I126-A364 PolarHBondContact N-O 2.94Å; I126-F365 WeakPolarHBondContact CD1-O 3.1Å; I126-K367 HydrophobicContact CG2-CB 4.47Å
127	N	54.9	Low	60.8	Low	21 Å²	21	57.5 Å²	57.5	11%	0.112	29%	0.293	C	S	.	.			trans	-147.1	81.2	-173.9	62.4	-49.7	0	0	0	109.7	P129 S363 A364 V366 E368 Y375	N127-P129 WeakPolarHBondContact O-CD 3.11Å; N127-S363 PolarHBondContact ND2-O 2.9Å; N127-S363 PolarHBondContact OD1-O 3.31Å; N127-A364 PolarHBondContact N-O 2.89Å; N127-A364 VanDerWaalsContact OD1-C 3.29Å; N127-A364 PolarHBondContact OD1-O 3.34Å; N127-A364 VanDerWaalsContact OD1-O 3.13Å; N127-V366 PolarHBondContact ND2-O 3.02Å; N127-V366 PolarHBondContact OD1-N 3.45Å; N127-V366 PolarHBondContact OD1-O 3.07Å; N127-V366 VanDerWaalsContact OD1-O 3.05Å; N127-E368 PolarHBondContact ND2-N 3.5Å; N127-Y375 PolarHBondContact ND2-OH 2.88Å
128	N	57.4	Low	62	Low	37 Å²	37	55.8 Å²	55.8	20%	0.198	29%	0.289	C	S	.	.			trans	-106.8	70.6	168.6	-160.8	16.5	0	0	0	110.5	Q101 P125 E130 R263	Q101-N128 PolarHBondContact O-ND2 3.2Å; P125-N128 HydrophobicContact CB-CB 3.96Å; N128-E130 PolarHBondContact O-N 2.81Å; N128-R263 VanDerWaalsContact OD1-CZ 3.25Å; N128-R263 PolarHBondContact OD1-NH1 3.29Å; N128-R263 PolarHBondContact OD1-NH2 3.01Å
129	P	57.2	Low	63.4	Low	37 Å²	37	53.7 Å²	53.7	24%	0.24	28%	0.282	C	S	.	.			trans	-59.7	141.2	177.7	28.8	-35.3	0	0	0	109.3	N127 M131	N127-P129 WeakPolarHBondContact O-CD 3.11Å; P129-M131 HydrophobicContact CG-CE 3.54Å; P129-M131 HydrophobicContact CG-CG 4.26Å; P129-M131 PolarHBondContact O-N 3.27Å
130	E	57.8	Low	65.1	Low	45 Å²	45	48.2 Å²	48.2	21%	0.21	26%	0.259	C	S	.	.			trans	-63.6	103.3	173.4	-63	-167	175.3	0	0	109.5	I65 I71 W80 N128 F132	I65-E130 HydrophobicContact CG2-CB 4.05Å; I65-E130 HydrophobicContact CG2-CG 4.29Å; I65-E130 WeakPolarHBondContact CG2-OE2 3.41Å; I71-E130 WeakPolarHBondContact CD1-OE1 3.06Å; W80-E130 WeakPolarHBondContact CH2-OE1 3.37Å; N128-E130 PolarHBondContact O-N 2.81Å; E130-F132 HydrophobicContact CB-CD2 4.34Å; E130-F132 HydrophobicContact CB-CE2 3.57Å; E130-F132 HydrophobicContact CB-CZ 3.92Å; E130-F132 HydrophobicContact CG-CE2 4.46Å; E130-F132 HydrophobicContact CG-CZ 4.43Å; E130-F132 VanDerWaalsContact OE2-CE2 3.27Å; E130-F132 WeakPolarHBondContact OE2-CE2 3.29Å; E130-F132 WeakPolarHBondContact OE2-CZ 3.48Å
131	M	67.6	Low	66.5	Low	6 Å²	6	47.7 Å²	47.7	3%	0.03	26%	0.258	C	S	.	.			trans	-104.3	106.6	175.4	-64.2	-167.2	-179.5	0	0	108.7	L100 P129 K256 I259 F260	L100-M131 WeakPolarHBondContact CD1-O 3.28Å; P129-M131 HydrophobicContact CG-CE 3.54Å; P129-M131 HydrophobicContact CG-CG 4.26Å; P129-M131 PolarHBondContact O-N 3.27Å; M131-K256 HydrophobicContact CE-CB 4.06Å; M131-K256 HydrophobicContact CE-CG 4.35Å; M131-I259 HydrophobicContact CE-CB 3.78Å; M131-I259 HydrophobicContact CE-CD1 4.36Å; M131-I259 HydrophobicContact CE-CG2 3.56Å; M131-I259 HydrophobicContact SD-CB 4.23Å; M131-I259 HydrophobicContact SD-CG2 3.76Å; M131-F260 HydrophobicContact CB-CD2 4.34Å; M131-F260 HydrophobicContact SD-CB 3.92Å
132	F	70	Confident	67.6	Low	32 Å²	32	50.2 Å²	50.2	14%	0.14	26%	0.256	C	S	.	.			trans	-98.6	136.1	175.6	-57.2	-80.6	0	0	0	109.7	I65 N97 E130 G245 S246	I65-F132 HydrophobicContact CD1-CE2 4.3Å; I65-F132 HydrophobicContact CG2-CE2 4.18Å; N97-F132 HydrophobicContact CB-CD1 3.96Å; N97-F132 HydrophobicContact CB-CE1 4.28Å; E130-F132 HydrophobicContact CB-CD2 4.34Å; E130-F132 HydrophobicContact CB-CE2 3.57Å; E130-F132 HydrophobicContact CB-CZ 3.92Å; E130-F132 HydrophobicContact CG-CE2 4.46Å; E130-F132 HydrophobicContact CG-CZ 4.43Å; E130-F132 VanDerWaalsContact OE2-CE2 3.27Å; E130-F132 WeakPolarHBondContact OE2-CE2 3.29Å; E130-F132 WeakPolarHBondContact OE2-CZ 3.48Å; F132-G245 CarbonylContact O-C 3.57Å; F132-G245 WeakPolarHBondContact O-CA 3.05Å; F132-S246 PolarHBondContact N-OG 3.43Å; F132-S246 VanDerWaalsContact N-OG 3.17Å; F132-S246 PolarHBondContact O-N 2.91Å; F132-S246 PolarHBondContact O-OG 3.42Å
133	A	75.8	Confident	68.2	Low	4 Å²	4	44.5 Å²	44.5	3%	0.033	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	119.5	162.4	0	0	0	0	0	109	F96 N97 L100 V136 I244 F260	F96-A133 HydrophobicContact CD1-CB 4.29Å; F96-A133 HydrophobicContact CE1-CB 3.3Å; F96-A133 HydrophobicContact CZ-CB 3.78Å; N97-A133 PolarHBondContact OD1-N 3.31Å; L100-A133 HydrophobicContact CD1-CB 4.3Å; A133-V136 HydrophobicContact CB-CG1 3.81Å; A133-I244 CarbonylContact C-O 3.57Å; A133-F260 HydrophobicContact CB-CE2 3.85Å; A133-F260 HydrophobicContact CB-CZ 3.72Å
134	L	76.8	Confident	68.6	Low	4 Å²	4	40.6 Å²	40.6	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-36.1	170.5	-60.3	179.7	0	0	0	110.8	N42 Y44 F45 L62 I192 I244	N42-L134 PolarHBondContact ND2-O 3.06Å; N42-L134 PolarHBondContact OD1-O 3.47Å; N42-L134 VanDerWaalsContact OD1-O 3.14Å; Y44-L134 HydrophobicContact CD1-CD2 3.53Å; Y44-L134 HydrophobicContact CE1-CD2 3.51Å; F45-L134 HydrophobicContact CB-CB 4.2Å; F45-L134 WeakPolarHBondContact CB-O 3.31Å; F45-L134 HydrophobicContact CD2-CB 4.04Å; F45-L134 HydrophobicContact CD2-CD1 4.45Å; F45-L134 HydrophobicContact CG-CB 4.47Å; L62-L134 HydrophobicContact CD1-CD1 4.19Å; L62-L134 HydrophobicContact CD1-CD2 4.22Å; L134-I192 HydrophobicContact CD1-CD1 4Å; L134-I192 HydrophobicContact CD1-CG1 4.36Å; L134-I192 HydrophobicContact CD1-CG2 3.47Å; L134-I192 VanDerWaalsContact CD1-CG2 3.47Å; L134-I244 HydrophobicContact CB-CG2 4.24Å; L134-I244 HydrophobicContact CD1-CG2 4.36Å; L134-I244 PolarHBondContact N-O 3.15Å
135	R	78.8	Confident	68.5	Low	14 Å²	14	40.5 Å²	40.5	5%	0.053	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	140.8	174.3	-177.2	69.1	-179.1	172.4	4.8	109.4	N42 E138 V236 D240 I244	N42-R135 WeakPolarHBondContact ND2-CA 3.42Å; R135-E138 IonicContact CZ-OE1 2.89Å; R135-E138 IonicContact NH1-OE1 3.69Å; R135-E138 PolarHBondContact NH1-OE1 2.95Å; R135-E138 IonicContact NH2-OE1 2.64Å; R135-E138 PolarHBondContact NH2-OE1 3.3Å; R135-V236 HydrophobicContact CG-CG1 3.48Å; R135-V236 VanDerWaalsContact CG-CG1 3.48Å; R135-V236 HydrophobicContact CG-CG2 4.31Å; R135-D240 IonicContact NH2-OD1 3.36Å; R135-I244 HydrophobicContact CB-CB 3.93Å; R135-I244 HydrophobicContact CB-CD1 4.04Å; R135-I244 HydrophobicContact CB-CG1 4.03Å; R135-I244 PolarHBondContact N-O 3.05Å; R135-I244 PolarHBondContact O-N 3.02Å
136	V	82.1	Confident	68.1	Low	13 Å²	13	46.1 Å²	46.1	8%	0.079	24%	0.24	C	C	.	.			trans	-120.2	143.9	168.1	-64.7	0	0	0	0	108.5	N42 F96 A133 E138 L243	N42-V136 PolarHBondContact ND2-N 2.74Å; F96-V136 HydrophobicContact CE1-CG1 4.14Å; F96-V136 HydrophobicContact CE2-CG1 3.68Å; F96-V136 HydrophobicContact CZ-CG1 3.31Å; A133-V136 HydrophobicContact CB-CG1 3.81Å; V136-E138 PolarHBondContact O-N 2.91Å; V136-L243 HydrophobicContact CB-CD1 4.35Å; V136-L243 HydrophobicContact CG1-CD1 3.82Å
137	P	82.4	Confident	68.2	Low	5 Å²	5	46.2 Å²	46.2	3%	0.032	24%	0.238	C	C	.	.			trans	-64.4	130.5	167.7	30.3	-35.9	0	0	0	108.4	V140 V187 D240 W264	P137-V140 HydrophobicContact CB-CB 4.06Å; P137-V140 HydrophobicContact CB-CG2 3.89Å; P137-V140 HydrophobicContact CG-CB 3.78Å; P137-V140 HydrophobicContact CG-CG2 4.07Å; P137-V187 HydrophobicContact CG-CG2 3.79Å; P137-D240 WeakPolarHBondContact CB-O 3.42Å; P137-W264 HydrophobicContact CG-CH2 4.36Å; P137-W264 HydrophobicContact CG-CZ2 3.88Å
138	E	75.2	Confident	69	Low	70 Å²	70	51.3 Å²	51.3	33%	0.327	26%	0.264	S	S	.	.	S	Bend	trans	-72.8	-41.7	-180	-64.8	168.9	-157.2	0	0	109.1	R135 V136 R142 D240	R135-E138 IonicContact CZ-OE1 2.89Å; R135-E138 IonicContact NH1-OE1 3.69Å; R135-E138 PolarHBondContact NH1-OE1 2.95Å; R135-E138 IonicContact NH2-OE1 2.64Å; R135-E138 PolarHBondContact NH2-OE1 3.3Å; V136-E138 PolarHBondContact O-N 2.91Å; E138-R142 VanDerWaalsContact C-NE 3.26Å; E138-R142 VanDerWaalsContact C-NH2 3.31Å; E138-R142 VanDerWaalsContact CB-NH2 3.29Å; E138-R142 VanDerWaalsContact O-CD 3.32Å; E138-R142 WeakPolarHBondContact O-CD 3.48Å; E138-R142 WeakPolarHBondContact O-CG 3.49Å; E138-R142 PolarHBondContact O-NE 3.41Å; E138-R142 PolarHBondContact O-NH2 2.91Å; E138-D240 WeakPolarHBondContact CB-OD1 3.43Å; E138-D240 PolarHBondContact N-OD1 3.23Å; E138-D240 PolarHBondContact N-OD2 3.22Å
139	S	77.8	Confident	70.3	Confident	48 Å²	48	52.6 Å²	52.6	34%	0.336	27%	0.271	S	S	.	.	S	Bend	trans	-77.6	-12.6	-173.8	58.3	0	0	0	0	116.3	Q185 D240	S139-Q185 PolarHBondContact O-NE2 3.01Å; S139-D240 WeakPolarHBondContact CB-OD2 3.26Å; S139-D240 PolarHBondContact N-OD2 2.77Å; S139-D240 PolarHBondContact OG-O 3Å; S139-D240 PolarHBondContact OG-OD2 3.2Å
140	V	85	Confident	71.9	Confident	9 Å²	9	50.9 Å²	50.9	6%	0.055	26%	0.259	C	S	.	.	S	Bend	trans	-103.7	132.8	-178.2	-170.5	0	0	0	0	109.4	P137 I153 Q185 V187 W264	P137-V140 HydrophobicContact CB-CB 4.06Å; P137-V140 HydrophobicContact CB-CG2 3.89Å; P137-V140 HydrophobicContact CG-CB 3.78Å; P137-V140 HydrophobicContact CG-CG2 4.07Å; V140-I153 HydrophobicContact CG1-CD1 4.45Å; V140-I153 HydrophobicContact CG1-CG2 4.13Å; V140-Q185 HydrophobicContact CG1-CB 4.02Å; V140-Q185 HydrophobicContact CG2-CB 4.42Å; V140-V187 HydrophobicContact CG1-CB 4.48Å; V140-W264 HydrophobicContact CB-CH2 4.25Å; V140-W264 HydrophobicContact CB-CZ2 4.45Å; V140-W264 HydrophobicContact CG1-CH2 3.67Å; V140-W264 HydrophobicContact CG1-CZ2 4.29Å
141	C	80.2	Confident	73.7	Confident	14 Å²	14	50.7 Å²	50.7	10%	0.095	26%	0.259	C	S	.	.	S	Bend	trans	60.8	38.7	-177.5	-61.3	0	0	0	0	114.8	I153 W264 C269	C141-I153 WeakPolarHBondContact SG-CD1 3.46Å; C141-W264 HydrophobicContact CB-CH2 4.4Å; C141-W264 HydrophobicContact CB-CZ2 4.09Å; C141-C269 HydrophobicContact CB-CB 3.86Å; C141-C269 WeakPolarHBondContact CB-SG 3.42Å; C141-C269 WeakPolarHBondContact SG-CB 3.47Å; C141-C269 CovalentContact SG-SG 2.02Å; C141-C269 PolarHBondContact SG-SG 3.3Å
142	R	71.2	Confident	75.1	Confident	108 Å²	108	50.4 Å²	50.4	41%	0.408	26%	0.257	S	S	.	.			trans	-72.8	163.5	168.4	-68.7	-171.9	173.7	157.8	9.7	111.7	E138 Y144 P270	E138-R142 VanDerWaalsContact C-NE 3.26Å; E138-R142 VanDerWaalsContact C-NH2 3.31Å; E138-R142 VanDerWaalsContact CB-NH2 3.29Å; E138-R142 VanDerWaalsContact O-CD 3.32Å; E138-R142 WeakPolarHBondContact O-CD 3.48Å; E138-R142 WeakPolarHBondContact O-CG 3.49Å; E138-R142 PolarHBondContact O-NE 3.41Å; E138-R142 PolarHBondContact O-NH2 2.91Å; R142-Y144 WeakPolarHBondContact O-CE2 3.47Å; R142-Y144 PolarHBondContact O-N 2.98Å; R142-P270 WeakPolarHBondContact O-CG 3.31Å
143	S	61.5	Low	76.4	Confident	39 Å²	39	48.9 Å²	48.9	27%	0.273	25%	0.25	S	S	.	.			trans	-65.9	115.5	165.6	-165.7	0	0	0	0	110.1	Y37 N145	Y37-S143 VanDerWaalsContact CD1-CB 3.43Å; S143-N145 VanDerWaalsContact C-N 3.28Å; S143-N145 PolarHBondContact O-N 3.47Å; S143-N145 VanDerWaalsContact O-N 3.1Å
144	Y	56.7	Low	77.5	Confident	30 Å²	30	48.7 Å²	48.7	12%	0.118	25%	0.249	C	C	.	.			trans	-85.9	65.5	178.2	-55.6	-71	0	0	0	110.7	R142 N146 E147 I149 P150 Q185 P270 V273	R142-Y144 WeakPolarHBondContact O-CE2 3.47Å; R142-Y144 PolarHBondContact O-N 2.98Å; Y144-N146 PolarHBondContact O-N 3.22Å; Y144-E147 HydrophobicContact CD1-CB 3.92Å; Y144-I149 HydrophobicContact CD2-CG1 4.21Å; Y144-I149 HydrophobicContact CG-CG1 4.47Å; Y144-P150 HydrophobicContact CE2-CG 4.27Å; Y144-P150 VanDerWaalsContact OH-CD 3.3Å; Y144-P150 WeakPolarHBondContact OH-CD 3.32Å; Y144-P150 WeakPolarHBondContact OH-CG 3.44Å; Y144-Q185 PolarHBondContact OH-NE2 2.75Å; Y144-Q185 PolarHBondContact OH-OE1 3.25Å; Y144-Q185 VanDerWaalsContact OH-OE1 3.09Å; Y144-P270 HydrophobicContact CD2-CB 4.08Å; Y144-P270 HydrophobicContact CD2-CG 3.59Å; Y144-P270 HydrophobicContact CE2-CB 4.21Å; Y144-P270 HydrophobicContact CE2-CG 3.53Å; Y144-V273 HydrophobicContact CE2-CG2 4.46Å
145	N	52.5	Low	78.5	Confident	134 Å²	134	48.6 Å²	48.6	72%	0.717	25%	0.249	S	C	*	.	S	Bend	trans	-72.2	98.9	168.9	-76.3	-9.1	0	0	0	108.3	S143 E147	S143-N145 VanDerWaalsContact C-N 3.28Å; S143-N145 PolarHBondContact O-N 3.47Å; S143-N145 VanDerWaalsContact O-N 3.1Å; N145-E147 VanDerWaalsContact C-N 3.3Å; N145-E147 PolarHBondContact O-N 3.47Å
146	N	51	Low	79.4	Confident	177 Å²	177	48 Å²	48	95%	0.947	25%	0.246	S	C	*	.	S	Bend	trans	69	11.1	-176.5	-56.3	-23.4	0	0	0	116.4	Y144	Y144-N146 PolarHBondContact O-N 3.22Å
147	E	60.9	Low	80.1	Confident	123 Å²	123	48 Å²	48	58%	0.575	25%	0.245	S	C	*	.	S	Bend	trans	-97.8	156.3	174.3	-72.8	-172.2	171.7	0	0	112.3	Y144 N145 I149	Y144-E147 HydrophobicContact CD1-CB 3.92Å; N145-E147 VanDerWaalsContact C-N 3.3Å; N145-E147 PolarHBondContact O-N 3.47Å; E147-I149 PolarHBondContact O-N 2.94Å
148	L	71.2	Confident	80.7	Confident	128 Å²	128	47.8 Å²	47.8	67%	0.67	24%	0.244	S	C	*	.			trans	-69	114	179.8	-171.4	83.3	0	0	0	110.9
149	I	84.5	Confident	81.5	Confident	65 Å²	65	45.4 Å²	45.4	33%	0.333	24%	0.235	S	C	.	.			trans	-58	132	173.6	-63.6	148.6	0	0	0	109.5	Y144 E147 Q272 V273	Y144-I149 HydrophobicContact CD2-CG1 4.21Å; Y144-I149 HydrophobicContact CG-CG1 4.47Å; E147-I149 PolarHBondContact O-N 2.94Å; I149-Q272 HydrophobicContact CD1-CB 3.53Å; I149-Q272 HydrophobicContact CD1-CG 3.9Å; I149-Q272 HydrophobicContact CG1-CB 4.03Å; I149-Q272 HydrophobicContact CG2-CB 3.89Å; I149-V273 HydrophobicContact CG2-CG2 4.05Å
150	P	92.1	Very high	82.1	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.			trans	-67.1	138	176.5	27.7	-33.4	0	0	0	110.8	Y144 L152 I153 S183 Q185 V273	Y144-P150 HydrophobicContact CE2-CG 4.27Å; Y144-P150 VanDerWaalsContact OH-CD 3.3Å; Y144-P150 WeakPolarHBondContact OH-CD 3.32Å; Y144-P150 WeakPolarHBondContact OH-CG 3.44Å; P150-L152 VanDerWaalsContact C-N 3.28Å; P150-I153 HydrophobicContact CB-CG1 4.28Å; P150-I153 HydrophobicContact CG-CD1 3.95Å; P150-I153 HydrophobicContact CG-CG1 3.91Å; P150-S183 CarbonylContact C-O 3.56Å; P150-Q185 HydrophobicContact CB-CG 4.09Å; P150-Q185 HydrophobicContact CG-CG 4.4Å; P150-V273 HydrophobicContact CG-CG1 4.47Å; P150-V273 HydrophobicContact CG-CG2 3.76Å
151	H	95.2	Very high	82.2	Confident	41 Å²	41	43 Å²	43	19%	0.19	22%	0.218	C	C	.	.	S	Bend	trans	-68.8	-35.1	173.1	-62.8	74.7	0	0	0	110.2	F182 S183 Y294	H151-F182 HydrophobicContact CB-CD2 4.11Å; H151-F182 HydrophobicContact CB-CE1 4.11Å; H151-F182 HydrophobicContact CB-CE2 3.58Å; H151-F182 HydrophobicContact CB-CZ 3.6Å; H151-S183 PolarHBondContact N-O 3.21Å; H151-S183 PolarHBondContact ND1-N 3.07Å; H151-S183 VanDerWaalsContact ND1-N 3.2Å; H151-Y294 HydrophobicContact CB-CD2 4.48Å; H151-Y294 HydrophobicContact CB-CE1 4.26Å; H151-Y294 HydrophobicContact CB-CE2 3.86Å; H151-Y294 AromaticContact CD2-CE1 3.6Å; H151-Y294 AromaticContact CD2-CZ 3.75Å; H151-Y294 WeakPolarHBondContact O-CE2 3.3Å
152	L	96.8	Very high	82.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	136.1	-176.1	179.6	62.2	0	0	0	111	P150 V154 F182 S183 V184 Q185 L275 L277 V290	P150-L152 VanDerWaalsContact C-N 3.28Å; L152-V154 HydrophobicContact CD2-CG2 3.72Å; L152-V154 HydrophobicContact CG-CG2 3.84Å; L152-F182 HydrophobicContact CB-CE1 3.75Å; L152-F182 HydrophobicContact CB-CZ 3.92Å; L152-F182 HydrophobicContact CD2-CE1 4.26Å; L152-S183 PolarHBondContact N-O 3.08Å; L152-V184 HydrophobicContact CB-CG2 4.22Å; L152-V184 HydrophobicContact CD2-CG2 4.26Å; L152-V184 HydrophobicContact CG-CG2 4.27Å; L152-V184 VanDerWaalsContact O-CA 3.3Å; L152-V184 WeakPolarHBondContact O-CA 3.47Å; L152-Q185 PolarHBondContact O-N 3.26Å; L152-L275 HydrophobicContact CD1-CB 4.14Å; L152-L275 HydrophobicContact CD1-CD2 4.12Å; L152-L275 HydrophobicContact CD1-CG 4.08Å; L152-L275 WeakPolarHBondContact CD1-O 3.11Å; L152-L277 HydrophobicContact CD1-CB 3.85Å; L152-V290 HydrophobicContact CD2-CG1 3.64Å
153	I	96.6	Very high	83.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.2	163.6	-60	-174.5	0	0	0	108.5	V140 C141 P150 I155 Q185 L265 V273 L275 Y276 L277	V140-I153 HydrophobicContact CG1-CD1 4.45Å; V140-I153 HydrophobicContact CG1-CG2 4.13Å; C141-I153 WeakPolarHBondContact SG-CD1 3.46Å; P150-I153 HydrophobicContact CB-CG1 4.28Å; P150-I153 HydrophobicContact CG-CD1 3.95Å; P150-I153 HydrophobicContact CG-CG1 3.91Å; I153-I155 HydrophobicContact CG2-CD1 4.42Å; I153-I155 WeakPolarHBondContact O-CD1 3.32Å; I153-Q185 WeakPolarHBondContact CA-O 3.35Å; I153-Q185 HydrophobicContact CG1-CB 4.28Å; I153-L265 HydrophobicContact CG2-CD2 4.43Å; I153-V273 HydrophobicContact CD1-CG1 4.03Å; I153-V273 HydrophobicContact CD1-CG2 4.15Å; I153-V273 HydrophobicContact CG1-CG1 3.93Å; I153-L275 PolarHBondContact N-O 3.26Å; I153-Y276 HydrophobicContact CB-CD1 3.82Å; I153-Y276 HydrophobicContact CB-CE1 3.97Å; I153-Y276 HydrophobicContact CD1-CE1 4.16Å; I153-Y276 HydrophobicContact CG1-CE1 4.35Å; I153-Y276 HydrophobicContact CG2-CD1 4.39Å; I153-Y276 WeakPolarHBondContact O-CA 3.4Å; I153-L277 PolarHBondContact O-N 3.06Å
154	V	98.1	Very high	84	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.1	-177.7	179.6	0	0	0	0	109.8	L152 I156 V184 Q185 F186 V187 L277 I279 L285	L152-V154 HydrophobicContact CD2-CG2 3.72Å; L152-V154 HydrophobicContact CG-CG2 3.84Å; V154-I156 HydrophobicContact CG1-CG1 3.91Å; V154-V184 HydrophobicContact CG2-CG2 3.85Å; V154-Q185 PolarHBondContact N-O 3.21Å; V154-F186 HydrophobicContact CB-CD1 3.52Å; V154-F186 HydrophobicContact CB-CE1 3.85Å; V154-F186 HydrophobicContact CB-CG 4.43Å; V154-F186 HydrophobicContact CG1-CD1 3.83Å; V154-F186 HydrophobicContact CG1-CE1 4.12Å; V154-F186 HydrophobicContact CG2-CD1 3.94Å; V154-F186 HydrophobicContact CG2-CE1 3.74Å; V154-F186 WeakPolarHBondContact O-CA 3.34Å; V154-V187 PolarHBondContact O-N 3.17Å; V154-L277 CarbonylContact C-O 3.42Å; V154-L277 WeakPolarHBondContact CA-O 3.48Å; V154-L277 HydrophobicContact CG1-CD2 4.03Å; V154-L277 HydrophobicContact CG2-CB 4.47Å; V154-I279 HydrophobicContact CG1-CG2 3.84Å; V154-L285 HydrophobicContact CG1-CD1 3.91Å; V154-L285 HydrophobicContact CG2-CD1 3.88Å
155	I	97.9	Very high	85.4	Confident	3 Å²	3	42 Å²	42	2%	0.015	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	107.1	-178.2	-56.9	90.7	0	0	0	108.2	I153 V187 V189 L265 Y276 L277 F278 I279	I153-I155 HydrophobicContact CG2-CD1 4.42Å; I153-I155 WeakPolarHBondContact O-CD1 3.32Å; I155-V187 HydrophobicContact CB-CG1 4.47Å; I155-V187 HydrophobicContact CG1-CG1 4.13Å; I155-V189 HydrophobicContact CG2-CG2 3.38Å; I155-L265 HydrophobicContact CD1-CD1 3.72Å; I155-L265 HydrophobicContact CD1-CD2 4.14Å; I155-L265 HydrophobicContact CD1-CG 4.47Å; I155-L265 HydrophobicContact CG1-CD1 4.01Å; I155-L265 HydrophobicContact CG1-CD2 4.18Å; I155-L265 HydrophobicContact CG1-CG 4.44Å; I155-Y276 HydrophobicContact CD1-CD1 4.14Å; I155-Y276 HydrophobicContact CD1-CG 4.46Å; I155-L277 PolarHBondContact N-O 3.47Å; I155-F278 HydrophobicContact CB-CD1 3.8Å; I155-F278 HydrophobicContact CB-CE1 4Å; I155-F278 HydrophobicContact CB-CG 4.3Å; I155-F278 HydrophobicContact CD1-CD2 4.44Å; I155-F278 HydrophobicContact CD1-CE1 4.31Å; I155-F278 HydrophobicContact CD1-CE2 4.18Å; I155-F278 HydrophobicContact CD1-CZ 4.12Å; I155-F278 HydrophobicContact CG1-CD1 4.44Å; I155-F278 HydrophobicContact CG1-CE1 4.19Å; I155-F278 HydrophobicContact CG1-CZ 4.44Å; I155-F278 HydrophobicContact CG2-CD1 3.85Å; I155-F278 HydrophobicContact CG2-CE1 3.93Å; I155-F278 WeakPolarHBondContact O-CA 3.49Å; I155-I279 PolarHBondContact O-N 3.43Å
156	I	98.2	Very high	87.2	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	109	-175.7	-49.9	170	0	0	0	109.1	V154 S158 F173 M174 F186 V187 F188 V189 I279 D281	V154-I156 HydrophobicContact CG1-CG1 3.91Å; I156-S158 PolarHBondContact O-N 3.31Å; I156-F173 HydrophobicContact CD1-CE2 4.1Å; I156-F173 HydrophobicContact CD1-CZ 3.89Å; I156-M174 HydrophobicContact CD1-CG 4.38Å; I156-M174 HydrophobicContact CD1-SD 3.92Å; I156-F186 HydrophobicContact CD1-CB 4.44Å; I156-F186 HydrophobicContact CD1-CD1 4.24Å; I156-V187 PolarHBondContact N-O 2.72Å; I156-F188 HydrophobicContact CB-CD1 3.55Å; I156-F188 HydrophobicContact CB-CE1 3.87Å; I156-F188 HydrophobicContact CB-CG 4.37Å; I156-F188 HydrophobicContact CD1-CD1 4Å; I156-F188 HydrophobicContact CD1-CE1 3.57Å; I156-F188 HydrophobicContact CD1-CZ 3.9Å; I156-F188 HydrophobicContact CG1-CD1 4.35Å; I156-F188 HydrophobicContact CG1-CE1 4.32Å; I156-F188 HydrophobicContact CG2-CD1 3.57Å; I156-F188 HydrophobicContact CG2-CE1 3.62Å; I156-F188 CarbonylContact O-C 3.53Å; I156-F188 VanDerWaalsContact O-CA 3.29Å; I156-F188 WeakPolarHBondContact O-CA 3.47Å; I156-V189 PolarHBondContact O-N 3.08Å; I156-I279 CarbonylContact C-O 3.39Å; I156-I279 VanDerWaalsContact CA-O 3.29Å; I156-I279 WeakPolarHBondContact CA-O 3.48Å; I156-I279 HydrophobicContact CB-CG2 4.29Å; I156-I279 HydrophobicContact CG1-CG2 3.81Å; I156-I279 HydrophobicContact CG2-CG2 4.29Å; I156-D281 HydrophobicContact CG2-CB 4.17Å
157	K	96.9	Very high	88.6	Confident	13 Å²	13	27.6 Å²	27.6	6%	0.057	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	113.7	171.9	-74	-172.3	-73.6	153.5	0	108.7	K257 I279 D280 D281 G346 D372	K157-K257 HydrophobicContact CG-CD 4.5Å; K157-I279 PolarHBondContact N-O 3.11Å; K157-D280 WeakPolarHBondContact CE-OD1 3.4Å; K157-D280 IonicContact NZ-OD1 3.18Å; K157-D280 PolarHBondContact NZ-OD1 2.92Å; K157-D280 VanDerWaalsContact NZ-OD1 3.08Å; K157-D281 WeakPolarHBondContact O-CB 2.95Å; K157-D281 PolarHBondContact O-N 3.36Å; K157-G346 PolarHBondContact NZ-O 3.36Å; K157-G346 VanDerWaalsContact NZ-O 3.08Å; K157-D372 IonicContact NZ-OD2 3.31Å; K157-D372 PolarHBondContact NZ-OD2 3.19Å
158	S	95.5	Very high	89.9	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.007	11%	0.114	C	C	.	.			trans	-126.2	144	176.9	-170.5	0	0	0	0	111.2	I156 R166 V189 K257 D281	I156-S158 PolarHBondContact O-N 3.31Å; S158-R166 WeakPolarHBondContact OG-CG 3.11Å; S158-R166 PolarHBondContact OG-NH1 3.42Å; S158-R166 VanDerWaalsContact OG-NH1 3.15Å; S158-V189 PolarHBondContact N-O 2.76Å; S158-K257 PolarHBondContact O-NZ 2.87Å; S158-D281 VanDerWaalsContact CA-OD2 3.23Å; S158-D281 WeakPolarHBondContact CA-OD2 3.19Å; S158-D281 WeakPolarHBondContact CB-OD2 3.46Å; S158-D281 PolarHBondContact OG-OD2 3.33Å
159	S	92.4	Very high	90.7	Very high	19 Å²	19	17.1 Å²	17.1	13%	0.133	8%	0.082	C	C	.	.			trans	-73.3	143.1	169.1	179.8	0	0	0	0	109.6	Y161 N162 R166 D281	S159-Y161 PolarHBondContact O-N 2.79Å; S159-Y161 VanDerWaalsContact O-N 3.07Å; S159-N162 WeakPolarHBondContact CB-ND2 3.43Å; S159-N162 WeakPolarHBondContact O-CB 3.44Å; S159-N162 PolarHBondContact O-N 3.33Å; S159-R166 PolarHBondContact O-NH1 3.37Å; S159-D281 PolarHBondContact N-OD2 3.05Å
160	V	90.3	Very high	90.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.2	-45.8	175.2	78.2	0	0	0	0	112.2	N162 R166 P193 F228 L232 D249	V160-N162 PolarHBondContact O-N 3.24Å; V160-R166 PolarHBondContact O-NH1 2.8Å; V160-R166 PolarHBondContact O-NH2 3.06Å; V160-P193 HydrophobicContact CG1-CB 4.14Å; V160-P193 HydrophobicContact CG2-CG 4.5Å; V160-F228 HydrophobicContact CB-CE1 4.33Å; V160-F228 HydrophobicContact CB-CZ 4.4Å; V160-F228 HydrophobicContact CG1-CE1 4.16Å; V160-F228 HydrophobicContact CG1-CZ 4.36Å; V160-F228 HydrophobicContact CG2-CE1 3.5Å; V160-F228 HydrophobicContact CG2-CZ 3.79Å; V160-F228 VanDerWaalsContact O-CZ 3.27Å; V160-F228 WeakPolarHBondContact O-CZ 3.4Å; V160-L232 HydrophobicContact CG2-CD2 3.78Å; V160-D249 HydrophobicContact CB-CB 4Å; V160-D249 WeakPolarHBondContact CB-OD2 3.36Å; V160-D249 HydrophobicContact CG1-CB 4.15Å; V160-D249 PolarHBondContact N-OD2 3.12Å
161	Y	87.1	Confident	90.4	Very high	7 Å²	7	21.1 Å²	21.1	3%	0.027	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-9.8	-179.3	-61.4	-62.1	0	0	0	115.9	S159 F163 P193 E197 W214 F217 Y221 K225 F228	S159-Y161 PolarHBondContact O-N 2.79Å; S159-Y161 VanDerWaalsContact O-N 3.07Å; Y161-F163 PolarHBondContact O-N 3.06Å; Y161-P193 VanDerWaalsContact OH-CB 3.29Å; Y161-P193 WeakPolarHBondContact OH-CB 3.41Å; Y161-E197 PolarHBondContact OH-OE2 3.22Å; Y161-E197 VanDerWaalsContact OH-OE2 3.04Å; Y161-W214 AromaticContact CD2-CD1 3.67Å; Y161-W214 HydrophobicContact CD2-CG 4.48Å; Y161-W214 AromaticContact CD2-NE1 3.88Å; Y161-W214 AromaticContact CE2-NE1 3.73Å; Y161-F217 HydrophobicContact CD1-CB 4.37Å; Y161-F217 HydrophobicContact CD2-CB 4.18Å; Y161-F217 HydrophobicContact CG-CB 3.84Å; Y161-Y221 AromaticContact CD1-CD2 3.85Å; Y161-Y221 HydrophobicContact CD1-CD2 3.85Å; Y161-Y221 AromaticContact CD1-CE2 3.74Å; Y161-Y221 HydrophobicContact CD1-CE2 3.74Å; Y161-Y221 AromaticContact CE1-CD2 3.61Å; Y161-Y221 HydrophobicContact CE1-CD2 3.61Å; Y161-Y221 AromaticContact CE1-CE2 3.95Å; Y161-Y221 HydrophobicContact CE1-CE2 3.95Å; Y161-Y221 HydrophobicContact CE1-CG 4.49Å; Y161-K225 WeakPolarHBondContact OH-CD 3.42Å; Y161-K225 VanDerWaalsContact OH-CE 3.29Å; Y161-K225 WeakPolarHBondContact OH-CE 3.3Å; Y161-F228 HydrophobicContact CD1-CD1 4.18Å; Y161-F228 AromaticContact CD1-CD2 3.77Å; Y161-F228 HydrophobicContact CD1-CD2 3.77Å; Y161-F228 HydrophobicContact CD1-CE1 4Å; Y161-F228 AromaticContact CD1-CE2 3.54Å; Y161-F228 HydrophobicContact CD1-CE2 3.54Å; Y161-F228 HydrophobicContact CD1-CG 4.08Å; Y161-F228 AromaticContact CD1-CZ 3.68Å; Y161-F228 HydrophobicContact CD1-CZ 3.68Å; Y161-F228 AromaticContact CE1-CD1 3.7Å; Y161-F228 HydrophobicContact CE1-CD1 3.7Å; Y161-F228 AromaticContact CE1-CD2 3.9Å; Y161-F228 HydrophobicContact CE1-CD2 3.9Å; Y161-F228 AromaticContact CE1-CE1 3.86Å; Y161-F228 HydrophobicContact CE1-CE1 3.86Å; Y161-F228 HydrophobicContact CE1-CE2 4.04Å; Y161-F228 AromaticContact CE1-CG 3.72Å; Y161-F228 HydrophobicContact CE1-CG 3.72Å; Y161-F228 HydrophobicContact CE1-CZ 4.03Å; Y161-F228 HydrophobicContact CG-CZ 4.48Å
162	N	89.2	Confident	90.1	Very high	19 Å²	19	19.9 Å²	19.9	10%	0.102	9%	0.088	C	C	.	.			trans	-85.2	38.8	-173.9	-77.6	-11	0	0	0	114.3	S159 V160 E164 K165 R166 D281	S159-N162 WeakPolarHBondContact CB-ND2 3.43Å; S159-N162 WeakPolarHBondContact O-CB 3.44Å; S159-N162 PolarHBondContact O-N 3.33Å; V160-N162 PolarHBondContact O-N 3.24Å; N162-E164 VanDerWaalsContact C-N 3.28Å; N162-E164 PolarHBondContact O-N 3.32Å; N162-K165 HydrophobicContact CB-CB 4.22Å; N162-K165 HydrophobicContact CB-CD 4.06Å; N162-K165 HydrophobicContact CB-CG 4.31Å; N162-K165 PolarHBondContact ND2-NZ 3.45Å; N162-K165 WeakPolarHBondContact O-CB 2.89Å; N162-K165 PolarHBondContact O-N 2.72Å; N162-R166 PolarHBondContact O-N 2.91Å; N162-R166 VanDerWaalsContact O-N 3.12Å; N162-D281 WeakPolarHBondContact CB-OD2 3.39Å; N162-D281 PolarHBondContact ND2-OD1 3.41Å; N162-D281 PolarHBondContact ND2-OD2 3.46Å
163	F	83	Confident	90	Very high	9 Å²	9	20 Å²	20	4%	0.039	9%	0.089	C	C	.	.	H	α-helix	trans	-53.1	-43.1	178.5	175	-102.1	0	0	0	113.5	Y161 K165 R166 D167 E235 Y239 F517 Y520	Y161-F163 PolarHBondContact O-N 3.06Å; F163-K165 PolarHBondContact O-N 2.76Å; F163-R166 CarbonylContact O-C 3.53Å; F163-R166 PolarHBondContact O-N 2.87Å; F163-D167 WeakPolarHBondContact O-CB 3.23Å; F163-D167 PolarHBondContact O-N 3.06Å; F163-E235 HydrophobicContact CD2-CB 4.43Å; F163-E235 HydrophobicContact CD2-CG 4.04Å; F163-E235 WeakPolarHBondContact CD2-OE1 3.32Å; F163-E235 WeakPolarHBondContact CD2-OE2 3.46Å; F163-E235 HydrophobicContact CE2-CB 4.14Å; F163-E235 HydrophobicContact CE2-CG 3.84Å; F163-Y239 HydrophobicContact CE2-CE2 4.42Å; F163-F517 HydrophobicContact CD1-CE1 4.28Å; F163-F517 AromaticContact CE1-CD1 3.6Å; F163-F517 HydrophobicContact CE1-CD1 3.6Å; F163-F517 AromaticContact CE1-CE1 3.09Å; F163-F517 HydrophobicContact CE1-CE1 3.09Å; F163-F517 AromaticContact CE1-CZ 3.68Å; F163-F517 HydrophobicContact CE1-CZ 3.68Å; F163-F517 HydrophobicContact CE2-CZ 4.36Å; F163-F517 AromaticContact CZ-CD1 4Å; F163-F517 HydrophobicContact CZ-CD1 4Å; F163-F517 AromaticContact CZ-CE1 3.26Å; F163-F517 HydrophobicContact CZ-CE1 3.26Å; F163-F517 HydrophobicContact CZ-CE2 4.03Å; F163-F517 AromaticContact CZ-CZ 3.28Å; F163-F517 HydrophobicContact CZ-CZ 3.28Å; F163-Y520 HydrophobicContact CB-CE1 4.04Å; F163-Y520 HydrophobicContact CB-CE2 4.31Å; F163-Y520 VanDerWaalsContact CB-CZ 3.49Å; F163-Y520 WeakPolarHBondContact CB-OH 3.41Å; F163-Y520 AromaticContact CD1-CD1 3.7Å; F163-Y520 HydrophobicContact CD1-CD1 3.7Å; F163-Y520 HydrophobicContact CD1-CD2 4.34Å; F163-Y520 AromaticContact CD1-CE1 3.09Å; F163-Y520 HydrophobicContact CD1-CE1 3.09Å; F163-Y520 AromaticContact CD1-CE2 3.82Å; F163-Y520 HydrophobicContact CD1-CE2 3.82Å; F163-Y520 HydrophobicContact CD1-CG 4.31Å; F163-Y520 AromaticContact CD1-CZ 3.19Å; F163-Y520 HydrophobicContact CD2-CE2 4.26Å; F163-Y520 AromaticContact CE1-CD1 3.7Å; F163-Y520 HydrophobicContact CE1-CD1 3.7Å; F163-Y520 HydrophobicContact CE1-CD2 4.13Å; F163-Y520 AromaticContact CE1-CE1 3.6Å; F163-Y520 HydrophobicContact CE1-CE1 3.6Å; F163-Y520 HydrophobicContact CE1-CE2 4.03Å; F163-Y520 HydrophobicContact CE1-CG 4Å; F163-Y520 AromaticContact CE1-CZ 3.81Å; F163-Y520 AromaticContact CG-CE1 3.78Å; F163-Y520 HydrophobicContact CG-CE1 3.78Å; F163-Y520 AromaticContact CG-CE2 3.89Å; F163-Y520 HydrophobicContact CG-CE2 3.89Å; F163-Y520 AromaticContact CG-CZ 3.36Å; F163-Y520 WeakPolarHBondContact CG-OH 3.34Å; F163-Y520 HydrophobicContact CZ-CD2 4.44Å; F163-Y520 HydrophobicContact CZ-CE2 4.38Å
164	E	77.9	Confident	89.8	Confident	103 Å²	103	21.1 Å²	21.1	48%	0.481	10%	0.095	S	C	.	.	H	α-helix	trans	-57.2	-36.1	177.8	-69.7	-171.6	175.9	0	0	112.5	N162 R168 H521	N162-E164 VanDerWaalsContact C-N 3.28Å; N162-E164 PolarHBondContact O-N 3.32Å; E164-R168 WeakPolarHBondContact O-CB 3.36Å; E164-R168 PolarHBondContact O-N 2.98Å; E164-H521 WeakPolarHBondContact CG-CE1 3.41Å; E164-H521 IonicContact OE1-CE1 3.19Å; E164-H521 PolarHBondContact OE1-CE1 3.41Å; E164-H521 IonicContact OE1-ND1 3.74Å; E164-H521 PolarHBondContact OE1-ND1 3.22Å; E164-H521 IonicContact OE1-NE2 3.83Å
165	K	86.3	Confident	89.3	Confident	40 Å²	40	24.2 Å²	24.2	17%	0.174	11%	0.109	C	C	.	.	H	α-helix	trans	-73	-37.9	177.5	-65.8	-173.8	176.8	178.3	0	111.3	N162 F163 R168 A169 D281	N162-K165 HydrophobicContact CB-CB 4.22Å; N162-K165 HydrophobicContact CB-CD 4.06Å; N162-K165 HydrophobicContact CB-CG 4.31Å; N162-K165 PolarHBondContact ND2-NZ 3.45Å; N162-K165 WeakPolarHBondContact O-CB 2.89Å; N162-K165 PolarHBondContact O-N 2.72Å; F163-K165 PolarHBondContact O-N 2.76Å; K165-R168 WeakPolarHBondContact O-CB 3.39Å; K165-R168 PolarHBondContact O-N 3.11Å; K165-R168 PolarHBondContact O-NE 3.12Å; K165-A169 WeakPolarHBondContact O-CB 3.47Å; K165-A169 PolarHBondContact O-N 2.79Å; K165-D281 HydrophobicContact CB-CB 4.18Å; K165-D281 HydrophobicContact CD-CB 4.18Å; K165-D281 VanDerWaalsContact CD-CG 3.41Å; K165-D281 WeakPolarHBondContact CD-OD1 3.47Å; K165-D281 IonicContact NZ-OD1 2.72Å; K165-D281 PolarHBondContact NZ-OD1 2.7Å
166	R	90.5	Very high	88.7	Confident	1 Å²	1	33.1 Å²	33.1	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-64.6	-48.9	173.6	-61.8	-166.1	-71.3	-81.8	7.1	111.6	S158 S159 V160 N162 F163 R168 A169 R170 F188 L190 E235	S158-R166 WeakPolarHBondContact OG-CG 3.11Å; S158-R166 PolarHBondContact OG-NH1 3.42Å; S158-R166 VanDerWaalsContact OG-NH1 3.15Å; S159-R166 PolarHBondContact O-NH1 3.37Å; V160-R166 PolarHBondContact O-NH1 2.8Å; V160-R166 PolarHBondContact O-NH2 3.06Å; N162-R166 PolarHBondContact O-N 2.91Å; N162-R166 VanDerWaalsContact O-N 3.12Å; F163-R166 CarbonylContact O-C 3.53Å; F163-R166 PolarHBondContact O-N 2.87Å; R166-R168 VanDerWaalsContact C-N 3.31Å; R166-R168 PolarHBondContact O-N 3.39Å; R166-A169 WeakPolarHBondContact O-CB 3.24Å; R166-A169 PolarHBondContact O-N 3.46Å; R166-A169 VanDerWaalsContact O-N 3.14Å; R166-R170 WeakPolarHBondContact O-CG 3.42Å; R166-R170 PolarHBondContact O-N 3.35Å; R166-F188 HydrophobicContact CB-CD1 4.27Å; R166-F188 HydrophobicContact CB-CD2 4.38Å; R166-F188 HydrophobicContact CB-CE1 3.83Å; R166-F188 HydrophobicContact CB-CE2 3.94Å; R166-F188 HydrophobicContact CB-CZ 3.64Å; R166-F188 HydrophobicContact CG-CD1 3.58Å; R166-F188 HydrophobicContact CG-CD2 4.27Å; R166-F188 HydrophobicContact CG-CE1 3.56Å; R166-F188 HydrophobicContact CG-CE2 4.23Å; R166-F188 HydrophobicContact CG-CG 3.94Å; R166-F188 HydrophobicContact CG-CZ 3.89Å; R166-L190 VanDerWaalsContact NH1-CD2 3.28Å; R166-E235 IonicContact CZ-OE1 3.32Å; R166-E235 IonicContact CZ-OE2 2.71Å; R166-E235 IonicContact NE-OE1 3.85Å; R166-E235 PolarHBondContact NE-OE1 3.17Å; R166-E235 IonicContact NE-OE2 3.1Å; R166-E235 PolarHBondContact NE-OE2 3.01Å; R166-E235 IonicContact NH2-OE1 3.46Å; R166-E235 IonicContact NH2-OE2 3.77Å; R166-E235 PolarHBondContact NH2-OE2 3.23Å
167	D	80.3	Confident	88.1	Confident	7 Å²	7	38.6 Å²	38.6	4%	0.037	17%	0.173	C	C	.	.	H	α-helix	trans	-57.5	-42.8	173.9	171.8	70.7	0	0	0	112.2	F163 R170 R171 Y513 F517	F163-D167 WeakPolarHBondContact O-CB 3.23Å; F163-D167 PolarHBondContact O-N 3.06Å; D167-R170 WeakPolarHBondContact O-CB 3.43Å; D167-R170 PolarHBondContact O-N 2.99Å; D167-R171 WeakPolarHBondContact O-CG 3.42Å; D167-R171 PolarHBondContact O-N 3.44Å; D167-R171 IonicContact OD1-NE 2.7Å; D167-R171 IonicContact OD2-CZ 3.02Å; D167-R171 IonicContact OD2-NE 3.25Å; D167-R171 PolarHBondContact OD2-NE 3.49Å; D167-R171 IonicContact OD2-NH2 2.63Å; D167-R171 PolarHBondContact OD2-NH2 3.28Å; D167-Y513 PolarHBondContact OD1-OH 3.23Å; D167-F517 HydrophobicContact CB-CE1 4.13Å; D167-F517 HydrophobicContact CB-CZ 4.41Å; D167-F517 WeakPolarHBondContact OD1-CZ 3.31Å
168	R	87.4	Confident	87.8	Confident	30 Å²	30	38.3 Å²	38.3	11%	0.113	17%	0.172	C	C	.	.	H	α-helix	trans	-60.4	-48.5	173.4	173.7	-151	75.6	80.7	-6.7	111.6	E164 K165 R166 R170 R171 T172 D281 Y283 D284 Y411	E164-R168 WeakPolarHBondContact O-CB 3.36Å; E164-R168 PolarHBondContact O-N 2.98Å; K165-R168 WeakPolarHBondContact O-CB 3.39Å; K165-R168 PolarHBondContact O-N 3.11Å; K165-R168 PolarHBondContact O-NE 3.12Å; R166-R168 VanDerWaalsContact C-N 3.31Å; R166-R168 PolarHBondContact O-N 3.39Å; R168-R170 VanDerWaalsContact C-N 3.32Å; R168-R170 PolarHBondContact O-N 3.1Å; R168-R171 PolarHBondContact O-N 3.29Å; R168-T172 WeakPolarHBondContact O-CB 2.88Å; R168-T172 VanDerWaalsContact O-CG2 3.26Å; R168-T172 WeakPolarHBondContact O-CG2 3.15Å; R168-T172 PolarHBondContact O-N 3.03Å; R168-T172 VanDerWaalsContact O-N 3.08Å; R168-T172 PolarHBondContact O-OG1 3.38Å; R168-D281 PolarHBondContact NH2-O 3.09Å; R168-Y283 PolarHBondContact NH2-O 2.66Å; R168-D284 IonicContact CZ-OD1 3.4Å; R168-D284 IonicContact CZ-OD2 2.73Å; R168-D284 IonicContact NH1-OD1 3.08Å; R168-D284 PolarHBondContact NH1-OD1 3.42Å; R168-D284 IonicContact NH1-OD2 3.64Å; R168-D284 PolarHBondContact NH1-OD2 3.01Å; R168-D284 IonicContact NH2-OD1 2.8Å; R168-D284 PolarHBondContact NH2-OD1 3.03Å; R168-Y411 VanDerWaalsContact CZ-CB 3.48Å; R168-Y411 VanDerWaalsContact NH1-CB 3.26Å
169	A	89.4	Confident	87.7	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-58.4	-45.4	176.7	0	0	0	0	0	111	K165 R166 R171 T172 F173 M174 F188	K165-A169 WeakPolarHBondContact O-CB 3.47Å; K165-A169 PolarHBondContact O-N 2.79Å; R166-A169 WeakPolarHBondContact O-CB 3.24Å; R166-A169 PolarHBondContact O-N 3.46Å; R166-A169 VanDerWaalsContact O-N 3.14Å; A169-R171 VanDerWaalsContact C-N 3.32Å; A169-R171 PolarHBondContact O-N 2.96Å; A169-T172 WeakPolarHBondContact CA-OG1 3.26Å; A169-T172 CarbonylContact O-C 3.48Å; A169-T172 PolarHBondContact O-N 2.85Å; A169-T172 PolarHBondContact O-OG1 3.16Å; A169-F173 HydrophobicContact CB-CD1 4.31Å; A169-F173 HydrophobicContact CB-CE1 3.45Å; A169-F173 VanDerWaalsContact CB-CE1 3.45Å; A169-F173 HydrophobicContact CB-CZ 3.82Å; A169-F173 PolarHBondContact O-N 2.91Å; A169-M174 HydrophobicContact CB-CG 4.37Å; A169-M174 HydrophobicContact CB-SD 3.65Å; A169-M174 WeakPolarHBondContact O-CB 3.38Å; A169-M174 WeakPolarHBondContact O-CG 2.89Å; A169-M174 PolarHBondContact O-N 3.48Å; A169-F188 HydrophobicContact CB-CE1 4.21Å; A169-F188 HydrophobicContact CB-CZ 3.93Å
170	R	86.6	Confident	87.6	Confident	16 Å²	16	42 Å²	42	6%	0.06	19%	0.194	C	C	.	.	H	α-helix	trans	-53.8	-45	173.9	-71.6	176.3	-171.1	118.9	0.9	112.1	R166 D167 R168 T172 M174 Q175 F188 E235 Y239 D241	R166-R170 WeakPolarHBondContact O-CG 3.42Å; R166-R170 PolarHBondContact O-N 3.35Å; D167-R170 WeakPolarHBondContact O-CB 3.43Å; D167-R170 PolarHBondContact O-N 2.99Å; R168-R170 VanDerWaalsContact C-N 3.32Å; R168-R170 PolarHBondContact O-N 3.1Å; R170-T172 VanDerWaalsContact C-N 3.31Å; R170-T172 PolarHBondContact O-N 2.93Å; R170-M174 HydrophobicContact CB-SD 4.45Å; R170-M174 HydrophobicContact CG-CE 3.86Å; R170-M174 HydrophobicContact CG-SD 3.9Å; R170-M174 PolarHBondContact N-SD 3.18Å; R170-M174 VanDerWaalsContact N-SD 3.39Å; R170-Q175 WeakPolarHBondContact O-CG 3.28Å; R170-Q175 PolarHBondContact O-NE2 3.49Å; R170-F188 HydrophobicContact CG-CE2 4.28Å; R170-E235 IonicContact CZ-OE1 3.88Å; R170-E235 VanDerWaalsContact CZ-OE1 3.29Å; R170-E235 IonicContact NH1-OE1 2.68Å; R170-E235 PolarHBondContact NH1-OE1 3.3Å; R170-E235 IonicContact NH2-OE1 3.22Å; R170-E235 PolarHBondContact NH2-OE1 3.08Å; R170-Y239 VanDerWaalsContact CD-CD1 3.44Å; R170-Y239 VanDerWaalsContact CZ-CD2 3.43Å; R170-D241 IonicContact CZ-OD1 3.6Å; R170-D241 IonicContact CZ-OD2 2.94Å; R170-D241 IonicContact NE-OD1 2.9Å; R170-D241 IonicContact NE-OD2 3.54Å; R170-D241 PolarHBondContact NE-OD2 3.07Å; R170-D241 IonicContact NH2-OD1 3.74Å; R170-D241 PolarHBondContact NH2-OD1 3.44Å; R170-D241 IonicContact NH2-OD2 2.89Å; R170-D241 PolarHBondContact NH2-OD2 3.26Å
171	R	82.9	Confident	87.6	Confident	133 Å²	133	49.5 Å²	49.5	50%	0.502	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-4.4	179.1	-69.1	-174.2	-68.4	128	-5.5	115.1	D167 R168 A169	D167-R171 WeakPolarHBondContact O-CG 3.42Å; D167-R171 PolarHBondContact O-N 3.44Å; D167-R171 IonicContact OD1-NE 2.7Å; D167-R171 IonicContact OD2-CZ 3.02Å; D167-R171 IonicContact OD2-NE 3.25Å; D167-R171 PolarHBondContact OD2-NE 3.49Å; D167-R171 IonicContact OD2-NH2 2.63Å; D167-R171 PolarHBondContact OD2-NH2 3.28Å; R168-R171 PolarHBondContact O-N 3.29Å; A169-R171 VanDerWaalsContact C-N 3.32Å; A169-R171 PolarHBondContact O-N 2.96Å
172	T	89.2	Confident	88	Confident	15 Å²	15	49.7 Å²	49.7	9%	0.092	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-110.1	-175.5	56	0	0	0	0	110.5	R168 A169 R170 M174 Q175 L178 W420	R168-T172 WeakPolarHBondContact O-CB 2.88Å; R168-T172 VanDerWaalsContact O-CG2 3.26Å; R168-T172 WeakPolarHBondContact O-CG2 3.15Å; R168-T172 PolarHBondContact O-N 3.03Å; R168-T172 VanDerWaalsContact O-N 3.08Å; R168-T172 PolarHBondContact O-OG1 3.38Å; A169-T172 WeakPolarHBondContact CA-OG1 3.26Å; A169-T172 CarbonylContact O-C 3.48Å; A169-T172 PolarHBondContact O-N 2.85Å; A169-T172 PolarHBondContact O-OG1 3.16Å; R170-T172 VanDerWaalsContact C-N 3.31Å; R170-T172 PolarHBondContact O-N 2.93Å; T172-M174 PolarHBondContact O-N 3.41Å; T172-Q175 WeakPolarHBondContact O-CB 3.4Å; T172-Q175 VanDerWaalsContact O-CG 3.26Å; T172-Q175 WeakPolarHBondContact O-CG 3.26Å; T172-Q175 PolarHBondContact O-N 2.91Å; T172-L178 WeakPolarHBondContact O-CD1 3.2Å; T172-W420 HydrophobicContact CG2-CB 4.43Å; T172-W420 HydrophobicContact CG2-CD2 3.94Å; T172-W420 HydrophobicContact CG2-CG 3.69Å
173	F	93.6	Very high	88.1	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.3	-171.1	70.5	-86.2	0	0	0	114.3	I156 A169 Q175 W179 F186 D284 L285 W420	I156-F173 HydrophobicContact CD1-CE2 4.1Å; I156-F173 HydrophobicContact CD1-CZ 3.89Å; A169-F173 HydrophobicContact CB-CD1 4.31Å; A169-F173 HydrophobicContact CB-CE1 3.45Å; A169-F173 VanDerWaalsContact CB-CE1 3.45Å; A169-F173 HydrophobicContact CB-CZ 3.82Å; A169-F173 PolarHBondContact O-N 2.91Å; F173-Q175 VanDerWaalsContact C-N 3.28Å; F173-Q175 PolarHBondContact O-N 3Å; F173-W179 PolarHBondContact O-NE1 2.93Å; F173-F186 AromaticContact CD2-CE1 3.83Å; F173-F186 HydrophobicContact CD2-CE1 3.83Å; F173-F186 HydrophobicContact CD2-CZ 4.43Å; F173-F186 HydrophobicContact CE2-CD1 4.09Å; F173-F186 AromaticContact CE2-CE1 3.82Å; F173-F186 HydrophobicContact CE2-CE1 3.82Å; F173-D284 HydrophobicContact CD1-CB 3.77Å; F173-D284 WeakPolarHBondContact CD1-OD1 3.41Å; F173-D284 HydrophobicContact CE1-CB 4.32Å; F173-D284 WeakPolarHBondContact CE1-OD1 3.35Å; F173-D284 HydrophobicContact CG-CB 4.4Å; F173-L285 HydrophobicContact CB-CB 4.26Å; F173-L285 VanDerWaalsContact CB-O 3.22Å; F173-L285 WeakPolarHBondContact CB-O 3.25Å; F173-L285 HydrophobicContact CD2-CB 3.77Å; F173-L285 HydrophobicContact CD2-CD1 4.1Å; F173-L285 HydrophobicContact CD2-CG 4.03Å; F173-L285 HydrophobicContact CE2-CB 4.41Å; F173-L285 HydrophobicContact CE2-CD1 4.16Å; F173-L285 HydrophobicContact CE2-CG 4.17Å; F173-L285 HydrophobicContact CG-CB 4.17Å; F173-W420 HydrophobicContact CB-CH2 3.93Å; F173-W420 HydrophobicContact CB-CZ3 3.72Å
174	M	93.6	Very high	88.7	Confident	25 Å²	25	51 Å²	51	12%	0.123	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-4	176.9	-64.5	171.3	68.2	0	0	113.8	I156 A169 R170 T172 K176 F186 F188	I156-M174 HydrophobicContact CD1-CG 4.38Å; I156-M174 HydrophobicContact CD1-SD 3.92Å; A169-M174 HydrophobicContact CB-CG 4.37Å; A169-M174 HydrophobicContact CB-SD 3.65Å; A169-M174 WeakPolarHBondContact O-CB 3.38Å; A169-M174 WeakPolarHBondContact O-CG 2.89Å; A169-M174 PolarHBondContact O-N 3.48Å; R170-M174 HydrophobicContact CB-SD 4.45Å; R170-M174 HydrophobicContact CG-CE 3.86Å; R170-M174 HydrophobicContact CG-SD 3.9Å; R170-M174 PolarHBondContact N-SD 3.18Å; R170-M174 VanDerWaalsContact N-SD 3.39Å; T172-M174 PolarHBondContact O-N 3.41Å; M174-K176 PolarHBondContact O-N 2.91Å; M174-F186 HydrophobicContact CB-CD2 4Å; M174-F186 HydrophobicContact CB-CE2 4.13Å; M174-F186 HydrophobicContact CB-CG 4.22Å; M174-F186 HydrophobicContact CB-CZ 4.47Å; M174-F186 HydrophobicContact CE-CB 3.49Å; M174-F186 VanDerWaalsContact CE-CB 3.49Å; M174-F186 HydrophobicContact CE-CG 4.05Å; M174-F186 HydrophobicContact CG-CB 4.22Å; M174-F186 HydrophobicContact CG-CD1 3.74Å; M174-F186 HydrophobicContact CG-CD2 4.04Å; M174-F186 HydrophobicContact CG-CE1 4.1Å; M174-F186 HydrophobicContact CG-CE2 4.36Å; M174-F186 HydrophobicContact CG-CG 3.73Å; M174-F186 HydrophobicContact CG-CZ 4.4Å; M174-F186 HydrophobicContact SD-CB 4.44Å; M174-F188 HydrophobicContact CE-CD2 4.46Å; M174-F188 HydrophobicContact CE-CE2 3.53Å; M174-F188 HydrophobicContact CE-CZ 3.85Å; M174-F188 HydrophobicContact SD-CE1 4.39Å; M174-F188 HydrophobicContact SD-CE2 3.78Å; M174-F188 HydrophobicContact SD-CZ 3.41Å; M174-F188 WeakPolarHBondContact SD-CZ 3.38Å
175	Q	86.7	Confident	89.5	Confident	65 Å²	65	47.8 Å²	47.8	30%	0.304	23%	0.231	S	C	.	.			trans	-67	122.3	-178.6	-73.5	-70.7	-68.2	0	0	111.5	R170 T172 F173 Q177 L178	R170-Q175 WeakPolarHBondContact O-CG 3.28Å; R170-Q175 PolarHBondContact O-NE2 3.49Å; T172-Q175 WeakPolarHBondContact O-CB 3.4Å; T172-Q175 VanDerWaalsContact O-CG 3.26Å; T172-Q175 WeakPolarHBondContact O-CG 3.26Å; T172-Q175 PolarHBondContact O-N 2.91Å; F173-Q175 VanDerWaalsContact C-N 3.28Å; F173-Q175 PolarHBondContact O-N 3Å; Q175-Q177 VanDerWaalsContact C-N 3.26Å; Q175-Q177 PolarHBondContact O-N 1.98Å; Q175-Q177 VanDerWaalsContact O-N 3.15Å; Q175-L178 HydrophobicContact CB-CD1 3.9Å; Q175-L178 HydrophobicContact CB-CG 3.87Å; Q175-L178 WeakPolarHBondContact O-CB 3.42Å; Q175-L178 PolarHBondContact O-N 2.97Å
176	K	85.4	Confident	89.9	Confident	189 Å²	189	46.9 Å²	46.9	82%	0.822	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-52.2	-39.9	-174.9	-175	177.1	-179.6	177.7	0	113.4	M174 L178 W179	M174-K176 PolarHBondContact O-N 2.91Å; K176-L178 PolarHBondContact O-N 3.06Å; K176-L178 VanDerWaalsContact O-N 3.13Å; K176-W179 PolarHBondContact O-N 3.14Å; K176-W179 VanDerWaalsContact O-N 3.09Å
177	Q	85.6	Confident	90.2	Very high	116 Å²	116	46.9 Å²	46.9	54%	0.542	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-63.8	-16.2	-179.8	67.8	-84.7	20	0	0	114.3	Q175 W179	Q175-Q177 VanDerWaalsContact C-N 3.26Å; Q175-Q177 PolarHBondContact O-N 1.98Å; Q175-Q177 VanDerWaalsContact O-N 3.15Å; Q177-W179 VanDerWaalsContact C-N 3.28Å
178	L	90.4	Very high	91	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.042	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-84.8	-4.7	177.7	-49.4	-178	0	0	0	113	T172 Q175 K176 P180 P287 W420 A423	T172-L178 WeakPolarHBondContact O-CD1 3.2Å; Q175-L178 HydrophobicContact CB-CD1 3.9Å; Q175-L178 HydrophobicContact CB-CG 3.87Å; Q175-L178 WeakPolarHBondContact O-CB 3.42Å; Q175-L178 PolarHBondContact O-N 2.97Å; K176-L178 PolarHBondContact O-N 3.06Å; K176-L178 VanDerWaalsContact O-N 3.13Å; L178-P180 VanDerWaalsContact O-CD 3.28Å; L178-P180 WeakPolarHBondContact O-CD 3.48Å; L178-P287 HydrophobicContact CB-CB 4.2Å; L178-P287 HydrophobicContact CB-CG 3.87Å; L178-P287 HydrophobicContact CD1-CG 4.43Å; L178-P287 WeakPolarHBondContact O-CB 2.88Å; L178-W420 HydrophobicContact CD1-CE3 3.84Å; L178-W420 HydrophobicContact CD1-CZ3 4.41Å; L178-W420 VanDerWaalsContact CD2-O 3.22Å; L178-W420 WeakPolarHBondContact CD2-O 3.2Å; L178-A423 HydrophobicContact CB-CB 4.1Å; L178-A423 HydrophobicContact CD2-CB 3.75Å; L178-A423 HydrophobicContact CG-CB 4.32Å
179	W	93.6	Very high	91.5	Very high	10 Å²	10	45.2 Å²	45.2	4%	0.038	22%	0.221	C	C	.	.	S	Bend	trans	-119.7	62	-178.2	-58.2	90.2	0	0	0	111.1	F173 K176 Q177 N181 F182 V184 F186 L285 P287 V290 I291	F173-W179 PolarHBondContact O-NE1 2.93Å; K176-W179 PolarHBondContact O-N 3.14Å; K176-W179 VanDerWaalsContact O-N 3.09Å; Q177-W179 VanDerWaalsContact C-N 3.28Å; W179-N181 PolarHBondContact O-N 3.08Å; W179-F182 HydrophobicContact CB-CB 4.45Å; W179-F182 HydrophobicContact CD2-CD1 4.49Å; W179-F182 AromaticContact CE3-CD1 3.52Å; W179-F182 HydrophobicContact CE3-CD1 3.52Å; W179-F182 AromaticContact CE3-CE1 3.95Å; W179-F182 HydrophobicContact CE3-CE1 3.95Å; W179-F182 HydrophobicContact CE3-CG 4.38Å; W179-F182 HydrophobicContact CZ3-CD1 4.03Å; W179-F182 AromaticContact CZ3-CE1 3.98Å; W179-F182 HydrophobicContact CZ3-CE1 3.98Å; W179-F182 PolarHBondContact O-N 2.98Å; W179-V184 HydrophobicContact CB-CG1 3.87Å; W179-V184 HydrophobicContact CD2-CB 4.35Å; W179-V184 HydrophobicContact CD2-CG1 3.52Å; W179-V184 HydrophobicContact CE3-CB 4.38Å; W179-V184 HydrophobicContact CE3-CG1 4.01Å; W179-V184 HydrophobicContact CG-CG1 3.44Å; W179-V184 VanDerWaalsContact CG-CG1 3.44Å; W179-F186 AromaticContact CE2-CZ 3.72Å; W179-F186 HydrophobicContact CZ2-CE1 4.26Å; W179-F186 AromaticContact CZ2-CZ 3.72Å; W179-F186 HydrophobicContact CZ2-CZ 3.72Å; W179-F186 AromaticContact NE1-CZ 3.59Å; W179-L285 HydrophobicContact CH2-CB 4.49Å; W179-L285 HydrophobicContact CH2-CD1 4.28Å; W179-L285 HydrophobicContact CZ2-CB 4.43Å; W179-L285 HydrophobicContact CZ2-CD1 4.42Å; W179-P287 HydrophobicContact CD2-CB 3.81Å; W179-P287 HydrophobicContact CD2-CG 4.42Å; W179-P287 HydrophobicContact CE3-CB 4.05Å; W179-P287 HydrophobicContact CG-CB 4.42Å; W179-P287 HydrophobicContact CH2-CB 4.11Å; W179-P287 HydrophobicContact CH2-CG 4.46Å; W179-P287 HydrophobicContact CZ2-CB 3.82Å; W179-P287 HydrophobicContact CZ2-CG 3.81Å; W179-P287 HydrophobicContact CZ3-CB 4.2Å; W179-V290 HydrophobicContact CH2-CB 3.91Å; W179-V290 HydrophobicContact CH2-CG1 3.94Å; W179-V290 HydrophobicContact CH2-CG2 4.15Å; W179-V290 HydrophobicContact CZ3-CB 3.81Å; W179-V290 HydrophobicContact CZ3-CG1 3.73Å; W179-I291 HydrophobicContact CE3-CD1 4.01Å; W179-I291 HydrophobicContact CE3-CG1 3.91Å; W179-I291 HydrophobicContact CZ3-CG1 4.21Å
180	P	89.9	Confident	91.7	Very high	86 Å²	86	45.1 Å²	45.1	56%	0.558	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	132.5	-177.2	28.7	-35.4	0	0	0	110.6	L178 F182	L178-P180 VanDerWaalsContact O-CD 3.28Å; L178-P180 WeakPolarHBondContact O-CD 3.48Å; P180-F182 PolarHBondContact O-N 2.88Å
181	N	91.2	Very high	91.9	Very high	159 Å²	159	44.4 Å²	44.4	85%	0.85	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	19.6	-179.3	-58	-21.7	0	0	0	114.6	W179 Y295	W179-N181 PolarHBondContact O-N 3.08Å; N181-Y295 PolarHBondContact O-OH 3.36Å
182	F	94.4	Very high	92.2	Very high	10 Å²	10	38 Å²	38	4%	0.044	19%	0.193	C	C	.	.			trans	-127.7	112.6	-178.2	-169	-93.7	0	0	0	109.4	H151 L152 W179 P180 V184 I291 Y294 Y295	H151-F182 HydrophobicContact CB-CD2 4.11Å; H151-F182 HydrophobicContact CB-CE1 4.11Å; H151-F182 HydrophobicContact CB-CE2 3.58Å; H151-F182 HydrophobicContact CB-CZ 3.6Å; L152-F182 HydrophobicContact CB-CE1 3.75Å; L152-F182 HydrophobicContact CB-CZ 3.92Å; L152-F182 HydrophobicContact CD2-CE1 4.26Å; W179-F182 HydrophobicContact CB-CB 4.45Å; W179-F182 HydrophobicContact CD2-CD1 4.49Å; W179-F182 AromaticContact CE3-CD1 3.52Å; W179-F182 HydrophobicContact CE3-CD1 3.52Å; W179-F182 AromaticContact CE3-CE1 3.95Å; W179-F182 HydrophobicContact CE3-CE1 3.95Å; W179-F182 HydrophobicContact CE3-CG 4.38Å; W179-F182 HydrophobicContact CZ3-CD1 4.03Å; W179-F182 AromaticContact CZ3-CE1 3.98Å; W179-F182 HydrophobicContact CZ3-CE1 3.98Å; W179-F182 PolarHBondContact O-N 2.98Å; P180-F182 PolarHBondContact O-N 2.88Å; F182-V184 HydrophobicContact CD1-CB 4.11Å; F182-V184 HydrophobicContact CE1-CB 4.18Å; F182-V184 PolarHBondContact O-N 3.21Å; F182-I291 HydrophobicContact CB-CD1 3.95Å; F182-I291 HydrophobicContact CB-CG1 3.91Å; F182-I291 HydrophobicContact CD1-CG1 4.09Å; F182-I291 HydrophobicContact CD2-CG1 3.98Å; F182-I291 HydrophobicContact CD2-CG2 4.39Å; F182-I291 HydrophobicContact CG-CD1 4.31Å; F182-I291 HydrophobicContact CG-CG1 3.72Å; F182-Y294 AromaticContact CE2-CD1 3.71Å; F182-Y294 HydrophobicContact CE2-CD1 3.71Å; F182-Y294 AromaticContact CE2-CD2 3.94Å; F182-Y294 HydrophobicContact CE2-CD2 3.94Å; F182-Y294 HydrophobicContact CE2-CE1 4.3Å; F182-Y294 HydrophobicContact CE2-CE2 4.48Å; F182-Y294 AromaticContact CE2-CG 3.52Å; F182-Y294 HydrophobicContact CE2-CG 3.52Å; F182-Y294 HydrophobicContact CZ-CD1 4.49Å; F182-Y294 AromaticContact CZ-CD2 3.9Å; F182-Y294 HydrophobicContact CZ-CD2 3.9Å; F182-Y294 HydrophobicContact CZ-CE2 4.48Å; F182-Y294 AromaticContact CZ-CG 3.91Å; F182-Y294 HydrophobicContact CZ-CG 3.91Å; F182-Y295 HydrophobicContact CD2-CE2 4.02Å
183	S	92.7	Very high	92.1	Very high	30 Å²	30	37.3 Å²	37.3	21%	0.21	19%	0.189	C	C	.	.			trans	-80.9	110.1	-179.6	-172.8	0	0	0	0	110	P150 H151 L152	P150-S183 CarbonylContact C-O 3.56Å; H151-S183 PolarHBondContact N-O 3.21Å; H151-S183 PolarHBondContact ND1-N 3.07Å; H151-S183 VanDerWaalsContact ND1-N 3.2Å; L152-S183 PolarHBondContact N-O 3.08Å
184	V	94.7	Very high	91.6	Very high	27 Å²	27	37.6 Å²	37.6	16%	0.164	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.6	177.5	61.3	0	0	0	0	110.1	L152 V154 W179 F182 F186	L152-V184 HydrophobicContact CB-CG2 4.22Å; L152-V184 HydrophobicContact CD2-CG2 4.26Å; L152-V184 HydrophobicContact CG-CG2 4.27Å; L152-V184 VanDerWaalsContact O-CA 3.3Å; L152-V184 WeakPolarHBondContact O-CA 3.47Å; V154-V184 HydrophobicContact CG2-CG2 3.85Å; W179-V184 HydrophobicContact CB-CG1 3.87Å; W179-V184 HydrophobicContact CD2-CB 4.35Å; W179-V184 HydrophobicContact CD2-CG1 3.52Å; W179-V184 HydrophobicContact CE3-CB 4.38Å; W179-V184 HydrophobicContact CE3-CG1 4.01Å; W179-V184 HydrophobicContact CG-CG1 3.44Å; W179-V184 VanDerWaalsContact CG-CG1 3.44Å; F182-V184 HydrophobicContact CD1-CB 4.11Å; F182-V184 HydrophobicContact CE1-CB 4.18Å; F182-V184 PolarHBondContact O-N 3.21Å; V184-F186 HydrophobicContact CB-CE2 4.37Å; V184-F186 HydrophobicContact CB-CZ 4.41Å; V184-F186 HydrophobicContact CG1-CE2 3.61Å; V184-F186 HydrophobicContact CG1-CZ 3.84Å; V184-F186 HydrophobicContact CG2-CD2 4.48Å; V184-F186 HydrophobicContact CG2-CE1 4.08Å; V184-F186 HydrophobicContact CG2-CE2 3.87Å; V184-F186 HydrophobicContact CG2-CZ 3.63Å
185	Q	94.6	Very high	91	Very high	35 Å²	35	38.2 Å²	38.2	16%	0.164	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.6	170.2	-59.9	-175	-24.6	0	0	109.8	S139 V140 Y144 P150 L152 I153 V154	S139-Q185 PolarHBondContact O-NE2 3.01Å; V140-Q185 HydrophobicContact CG1-CB 4.02Å; V140-Q185 HydrophobicContact CG2-CB 4.42Å; Y144-Q185 PolarHBondContact OH-NE2 2.75Å; Y144-Q185 PolarHBondContact OH-OE1 3.25Å; Y144-Q185 VanDerWaalsContact OH-OE1 3.09Å; P150-Q185 HydrophobicContact CB-CG 4.09Å; P150-Q185 HydrophobicContact CG-CG 4.4Å; L152-Q185 PolarHBondContact O-N 3.26Å; I153-Q185 WeakPolarHBondContact CA-O 3.35Å; I153-Q185 HydrophobicContact CG1-CB 4.28Å; V154-Q185 PolarHBondContact N-O 3.21Å
186	F	96	Very high	90.6	Very high	21 Å²	21	41 Å²	41	9%	0.092	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.7	-179.7	-60.2	-87.5	0	0	0	109.6	V154 I156 F173 M174 W179 V184 L285	V154-F186 HydrophobicContact CB-CD1 3.52Å; V154-F186 HydrophobicContact CB-CE1 3.85Å; V154-F186 HydrophobicContact CB-CG 4.43Å; V154-F186 HydrophobicContact CG1-CD1 3.83Å; V154-F186 HydrophobicContact CG1-CE1 4.12Å; V154-F186 HydrophobicContact CG2-CD1 3.94Å; V154-F186 HydrophobicContact CG2-CE1 3.74Å; V154-F186 WeakPolarHBondContact O-CA 3.34Å; I156-F186 HydrophobicContact CD1-CB 4.44Å; I156-F186 HydrophobicContact CD1-CD1 4.24Å; F173-F186 AromaticContact CD2-CE1 3.83Å; F173-F186 HydrophobicContact CD2-CE1 3.83Å; F173-F186 HydrophobicContact CD2-CZ 4.43Å; F173-F186 HydrophobicContact CE2-CD1 4.09Å; F173-F186 AromaticContact CE2-CE1 3.82Å; F173-F186 HydrophobicContact CE2-CE1 3.82Å; M174-F186 HydrophobicContact CB-CD2 4Å; M174-F186 HydrophobicContact CB-CE2 4.13Å; M174-F186 HydrophobicContact CB-CG 4.22Å; M174-F186 HydrophobicContact CB-CZ 4.47Å; M174-F186 HydrophobicContact CE-CB 3.49Å; M174-F186 VanDerWaalsContact CE-CB 3.49Å; M174-F186 HydrophobicContact CE-CG 4.05Å; M174-F186 HydrophobicContact CG-CB 4.22Å; M174-F186 HydrophobicContact CG-CD1 3.74Å; M174-F186 HydrophobicContact CG-CD2 4.04Å; M174-F186 HydrophobicContact CG-CE1 4.1Å; M174-F186 HydrophobicContact CG-CE2 4.36Å; M174-F186 HydrophobicContact CG-CG 3.73Å; M174-F186 HydrophobicContact CG-CZ 4.4Å; M174-F186 HydrophobicContact SD-CB 4.44Å; W179-F186 AromaticContact CE2-CZ 3.72Å; W179-F186 HydrophobicContact CZ2-CE1 4.26Å; W179-F186 AromaticContact CZ2-CZ 3.72Å; W179-F186 HydrophobicContact CZ2-CZ 3.72Å; W179-F186 AromaticContact NE1-CZ 3.59Å; V184-F186 HydrophobicContact CB-CE2 4.37Å; V184-F186 HydrophobicContact CB-CZ 4.41Å; V184-F186 HydrophobicContact CG1-CE2 3.61Å; V184-F186 HydrophobicContact CG1-CZ 3.84Å; V184-F186 HydrophobicContact CG2-CD2 4.48Å; V184-F186 HydrophobicContact CG2-CE1 4.08Å; V184-F186 HydrophobicContact CG2-CE2 3.87Å; V184-F186 HydrophobicContact CG2-CZ 3.63Å; F186-L285 HydrophobicContact CE1-CD1 4.39Å
187	V	96	Very high	90.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	131	174.3	61.7	0	0	0	0	109.8	P137 V140 V154 I155 I156 D241 L243 W264	P137-V187 HydrophobicContact CG-CG2 3.79Å; V140-V187 HydrophobicContact CG1-CB 4.48Å; V154-V187 PolarHBondContact O-N 3.17Å; I155-V187 HydrophobicContact CB-CG1 4.47Å; I155-V187 HydrophobicContact CG1-CG1 4.13Å; I156-V187 PolarHBondContact N-O 2.72Å; V187-D241 CarbonylContact C-O 3.56Å; V187-D241 WeakPolarHBondContact CA-O 3.46Å; V187-L243 HydrophobicContact CG2-CB 3.58Å; V187-W264 HydrophobicContact CB-CH2 4.32Å; V187-W264 HydrophobicContact CG1-CH2 3.96Å; V187-W264 HydrophobicContact CG1-CZ3 3.76Å; V187-W264 HydrophobicContact CG2-CH2 4.26Å
188	F	97.3	Very high	90.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.8	168.4	-62.3	-81.3	0	0	0	109.9	I156 R166 A169 R170 M174 L190 D241 L242 L243	I156-F188 HydrophobicContact CB-CD1 3.55Å; I156-F188 HydrophobicContact CB-CE1 3.87Å; I156-F188 HydrophobicContact CB-CG 4.37Å; I156-F188 HydrophobicContact CD1-CD1 4Å; I156-F188 HydrophobicContact CD1-CE1 3.57Å; I156-F188 HydrophobicContact CD1-CZ 3.9Å; I156-F188 HydrophobicContact CG1-CD1 4.35Å; I156-F188 HydrophobicContact CG1-CE1 4.32Å; I156-F188 HydrophobicContact CG2-CD1 3.57Å; I156-F188 HydrophobicContact CG2-CE1 3.62Å; I156-F188 CarbonylContact O-C 3.53Å; I156-F188 VanDerWaalsContact O-CA 3.29Å; I156-F188 WeakPolarHBondContact O-CA 3.47Å; R166-F188 HydrophobicContact CB-CD1 4.27Å; R166-F188 HydrophobicContact CB-CD2 4.38Å; R166-F188 HydrophobicContact CB-CE1 3.83Å; R166-F188 HydrophobicContact CB-CE2 3.94Å; R166-F188 HydrophobicContact CB-CZ 3.64Å; R166-F188 HydrophobicContact CG-CD1 3.58Å; R166-F188 HydrophobicContact CG-CD2 4.27Å; R166-F188 HydrophobicContact CG-CE1 3.56Å; R166-F188 HydrophobicContact CG-CE2 4.23Å; R166-F188 HydrophobicContact CG-CG 3.94Å; R166-F188 HydrophobicContact CG-CZ 3.89Å; A169-F188 HydrophobicContact CB-CE1 4.21Å; A169-F188 HydrophobicContact CB-CZ 3.93Å; R170-F188 HydrophobicContact CG-CE2 4.28Å; M174-F188 HydrophobicContact CE-CD2 4.46Å; M174-F188 HydrophobicContact CE-CE2 3.53Å; M174-F188 HydrophobicContact CE-CZ 3.85Å; M174-F188 HydrophobicContact SD-CE1 4.39Å; M174-F188 HydrophobicContact SD-CE2 3.78Å; M174-F188 HydrophobicContact SD-CZ 3.41Å; M174-F188 WeakPolarHBondContact SD-CZ 3.38Å; F188-L190 HydrophobicContact CB-CD1 3.88Å; F188-L190 WeakPolarHBondContact O-CD1 3.32Å; F188-D241 WeakPolarHBondContact CE2-OD2 3.5Å; F188-D241 PolarHBondContact N-O 3.43Å; F188-L242 HydrophobicContact CB-CD2 3.67Å; F188-L242 HydrophobicContact CD2-CD2 3.84Å; F188-L242 HydrophobicContact CG-CD2 4.12Å; F188-L243 PolarHBondContact O-N 3.01Å
189	V	97	Very high	90.2	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.4	176.3	-169.4	0	0	0	0	109.7	I155 I156 S158 L243 K257 F260	I155-V189 HydrophobicContact CG2-CG2 3.38Å; I156-V189 PolarHBondContact O-N 3.08Å; S158-V189 PolarHBondContact N-O 2.76Å; V189-L243 WeakPolarHBondContact CA-O 3.36Å; V189-L243 HydrophobicContact CG1-CD2 4.26Å; V189-L243 HydrophobicContact CG2-CB 4.45Å; V189-L243 HydrophobicContact CG2-CD2 4.02Å; V189-K257 HydrophobicContact CB-CG 4.34Å; V189-K257 HydrophobicContact CG1-CG 3.77Å; V189-K257 WeakPolarHBondContact O-CD 3.37Å; V189-F260 HydrophobicContact CG1-CD1 3.76Å; V189-F260 HydrophobicContact CG1-CE1 4.22Å
190	L	94.1	Very high	89.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	158.2	-176.8	-47.2	94.3	0	0	0	110.5	R166 F188 L242 L243 I244 G245	R166-L190 VanDerWaalsContact NH1-CD2 3.28Å; F188-L190 HydrophobicContact CB-CD1 3.88Å; F188-L190 WeakPolarHBondContact O-CD1 3.32Å; L190-L242 HydrophobicContact CD1-CB 4.18Å; L190-L242 HydrophobicContact CD1-CD2 3.77Å; L190-L242 HydrophobicContact CD1-CG 4.38Å; L190-L243 PolarHBondContact N-O 3.16Å; L190-I244 HydrophobicContact CD1-CG1 4.38Å; L190-I244 WeakPolarHBondContact O-CA 3.42Å; L190-G245 PolarHBondContact O-N 3.36Å
191	G	91.5	Very high	89.4	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-154.5	159.3	0	0	0	0	0	110.1	F247 D249	G191-F247 WeakPolarHBondContact CA-O 3.09Å; G191-D249 PolarHBondContact N-OD2 3.48Å
192	I	87.7	Confident	88.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	152.9	173	49.3	165.4	0	0	0	112.1	W55 L62 L134 M194 I244 F247 H248 D249	W55-I192 HydrophobicContact CH2-CB 4.02Å; W55-I192 HydrophobicContact CH2-CD1 4.15Å; W55-I192 HydrophobicContact CH2-CG2 4.22Å; L62-I192 HydrophobicContact CD1-CD1 3.53Å; L134-I192 HydrophobicContact CD1-CD1 4Å; L134-I192 HydrophobicContact CD1-CG1 4.36Å; L134-I192 HydrophobicContact CD1-CG2 3.47Å; L134-I192 VanDerWaalsContact CD1-CG2 3.47Å; I192-M194 HydrophobicContact CD1-CE 3.26Å; I192-M194 HydrophobicContact CG1-CE 3.58Å; I192-I244 HydrophobicContact CG2-CG2 3.78Å; I192-F247 WeakPolarHBondContact CG1-O 3.35Å; I192-F247 PolarHBondContact N-O 3.19Å; I192-H248 CarbonylContact O-C 3.34Å; I192-H248 WeakPolarHBondContact O-CA 3.29Å; I192-H248 PolarHBondContact O-CD2 3.38Å; I192-D249 PolarHBondContact O-N 2.83Å
193	P	87.9	Confident	87.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.177	C	C	.	.			trans	-76.9	156.3	172.5	35.1	-28.5	0	0	0	109.6	W55 V160 Y161 E197 K225 F228 V229	W55-P193 HydrophobicContact CZ2-CG 4.19Å; W55-P193 WeakPolarHBondContact CZ2-O 3.18Å; V160-P193 HydrophobicContact CG1-CB 4.14Å; V160-P193 HydrophobicContact CG2-CG 4.5Å; Y161-P193 VanDerWaalsContact OH-CB 3.29Å; Y161-P193 WeakPolarHBondContact OH-CB 3.41Å; P193-E197 WeakPolarHBondContact CA-OE1 3.43Å; P193-K225 HydrophobicContact CB-CB 4.15Å; P193-K225 HydrophobicContact CB-CG 4.12Å; P193-K225 HydrophobicContact CG-CB 4.05Å; P193-F228 HydrophobicContact CB-CD1 4.49Å; P193-F228 HydrophobicContact CG-CD1 3.82Å; P193-F228 HydrophobicContact CG-CE1 3.95Å; P193-V229 HydrophobicContact CG-CG2 3.66Å
194	M	83.7	Confident	86.8	Confident	7 Å²	7	37.9 Å²	37.9	3%	0.034	18%	0.184	C	C	.	.			trans	-107.7	147.2	175.5	-73.6	-65.9	128	0	0	112	T59 N63 I192 E197 K225 H248	T59-M194 HydrophobicContact CG2-CE 4.03Å; T59-M194 HydrophobicContact CG2-SD 4.29Å; N63-M194 VanDerWaalsContact CG-SD 3.53Å; N63-M194 PolarHBondContact ND2-SD 2.91Å; N63-M194 PolarHBondContact OD1-SD 3.41Å; I192-M194 HydrophobicContact CD1-CE 3.26Å; I192-M194 HydrophobicContact CG1-CE 3.58Å; M194-E197 HydrophobicContact CB-CG 4.01Å; M194-E197 PolarHBondContact N-OE1 3.43Å; M194-E197 VanDerWaalsContact O-CG 3.29Å; M194-E197 WeakPolarHBondContact O-CG 3.26Å; M194-K225 WeakPolarHBondContact O-CE 3.18Å; M194-K225 WeakPolarHBondContact O-CG 3.35Å; M194-H248 HydrophobicContact CG-CB 3.72Å; M194-H248 WeakPolarHBondContact CG-CD2 3.21Å
195	E	80.1	Confident	85.8	Confident	37 Å²	37	40.3 Å²	40.3	17%	0.173	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	141.5	168.2	-60	-70.2	119.4	0	0	109.2	W55 I56 E197 S224 K225	W55-E195 VanDerWaalsContact CD1-OE1 3.27Å; W55-E195 PolarHBondContact NE1-OE1 2.8Å; I56-E195 HydrophobicContact CG1-CG 4.16Å; E195-E197 VanDerWaalsContact C-N 3.34Å; E195-E197 PolarHBondContact O-N 2.86Å; E195-S224 WeakPolarHBondContact OE2-CA 3.26Å; E195-S224 WeakPolarHBondContact OE2-CB 3.4Å; E195-S224 PolarHBondContact OE2-OG 3.17Å; E195-K225 WeakPolarHBondContact OE1-CA 3.46Å; E195-K225 PolarHBondContact OE1-N 3.07Å
196	N	78.1	Confident	84.8	Confident	124 Å²	124	41.1 Å²	41.1	66%	0.663	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	42.3	-178.4	-55.1	-32.6	0	0	0	114.6	S223	N196-S223 PolarHBondContact N-O 3.48Å; N196-S223 WeakPolarHBondContact OD1-CB 3.32Å; N196-S223 PolarHBondContact OD1-O 2.81Å
197	E	84.1	Confident	83.9	Confident	19 Å²	19	42.6 Å²	42.6	9%	0.089	23%	0.23	C	C	.	.			trans	-52.2	149.2	170.6	-85.8	167.3	173.4	0	0	113.2	Y161 P193 M194 E195 W214 W215 S218 K225 H248	Y161-E197 PolarHBondContact OH-OE2 3.22Å; Y161-E197 VanDerWaalsContact OH-OE2 3.04Å; P193-E197 WeakPolarHBondContact CA-OE1 3.43Å; M194-E197 HydrophobicContact CB-CG 4.01Å; M194-E197 PolarHBondContact N-OE1 3.43Å; M194-E197 VanDerWaalsContact O-CG 3.29Å; M194-E197 WeakPolarHBondContact O-CG 3.26Å; E195-E197 VanDerWaalsContact C-N 3.34Å; E195-E197 PolarHBondContact O-N 2.86Å; E197-W214 HydrophobicContact CB-CH2 4.23Å; E197-W214 HydrophobicContact CB-CZ2 4.41Å; E197-W214 HydrophobicContact CG-CH2 4.2Å; E197-W214 HydrophobicContact CG-CZ2 3.97Å; E197-W215 HydrophobicContact CB-CZ3 4.26Å; E197-W215 WeakPolarHBondContact O-CH2 3.49Å; E197-W215 VanDerWaalsContact O-CZ3 3.32Å; E197-W215 WeakPolarHBondContact O-CZ3 3.43Å; E197-S218 WeakPolarHBondContact CB-OG 3.27Å; E197-S218 WeakPolarHBondContact OE2-CB 3.24Å; E197-S218 PolarHBondContact OE2-OG 3.42Å; E197-K225 WeakPolarHBondContact OE2-CE 3.29Å; E197-K225 IonicContact OE2-NZ 2.92Å; E197-H248 WeakPolarHBondContact CG-NE2 3.29Å; E197-H248 IonicContact OE1-CD2 3.42Å; E197-H248 PolarHBondContact OE1-CD2 2.89Å; E197-H248 IonicContact OE1-CE1 2.81Å; E197-H248 IonicContact OE1-NE2 2.86Å; E197-H248 PolarHBondContact OE1-NE2 2.81Å
198	S	83.6	Confident	83.1	Confident	47 Å²	47	42.6 Å²	42.6	33%	0.329	23%	0.23	S	C	.	.			trans	-131.4	148.4	176.9	177.7	0	0	0	0	109.2	L200 F201 W215	S198-L200 VanDerWaalsContact C-N 3.31Å; S198-L200 WeakPolarHBondContact OG-CB 3.45Å; S198-L200 PolarHBondContact OG-N 3.13Å; S198-L200 PolarHBondContact OG-O 2.94Å; S198-F201 VanDerWaalsContact O-CE2 3.27Å; S198-F201 WeakPolarHBondContact O-CE2 3.47Å; S198-F201 WeakPolarHBondContact O-CZ 3.48Å; S198-W215 VanDerWaalsContact C-CZ3 3.48Å
199	N	86	Confident	82.3	Confident	30 Å²	30	45.7 Å²	45.7	16%	0.16	25%	0.246	C	C	.	.	S	Bend	trans	-83.1	-8.5	164.1	61.6	-19.1	0	0	0	113.1	F201 I209 L210 W215	N199-F201 WeakPolarHBondContact O-CD2 3.32Å; N199-I209 WeakPolarHBondContact O-CA 3.35Å; N199-L210 WeakPolarHBondContact CB-O 3.35Å; N199-L210 PolarHBondContact O-N 2.88Å; N199-W215 HydrophobicContact CB-CB 4.25Å; N199-W215 HydrophobicContact CB-CD2 3.5Å; N199-W215 HydrophobicContact CB-CE3 4.04Å; N199-W215 HydrophobicContact CB-CG 3.58Å; N199-W215 HydrophobicContact CB-CZ2 4.19Å; N199-W215 VanDerWaalsContact CG-CE2 3.46Å; N199-W215 VanDerWaalsContact CG-NE1 3.35Å; N199-W215 PolarHBondContact ND2-NE1 2.75Å
200	L	85	Confident	81.5	Confident	94 Å²	94	45.6 Å²	45.6	49%	0.492	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	116.3	176.4	-58.5	176.6	0	0	0	109.7	S198 T207 Y208 I209	S198-L200 VanDerWaalsContact C-N 3.31Å; S198-L200 WeakPolarHBondContact OG-CB 3.45Å; S198-L200 PolarHBondContact OG-N 3.13Å; S198-L200 PolarHBondContact OG-O 2.94Å; L200-T207 HydrophobicContact CD2-CG2 4.25Å; L200-Y208 WeakPolarHBondContact CA-O 3.43Å; L200-I209 HydrophobicContact CD2-CB 4.45Å; L200-I209 HydrophobicContact CD2-CD1 3.99Å; L200-I209 HydrophobicContact CD2-CG1 3.7Å; L200-I209 HydrophobicContact CD2-CG2 4.43Å
201	F	82	Confident	80.7	Confident	32 Å²	32	52 Å²	52	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.6	176.5	-66	-99.2	0	0	0	109.6	S198 N199 F203 T207 Y208 L210 W214 T250 Y252	S198-F201 VanDerWaalsContact O-CE2 3.27Å; S198-F201 WeakPolarHBondContact O-CE2 3.47Å; S198-F201 WeakPolarHBondContact O-CZ 3.48Å; N199-F201 WeakPolarHBondContact O-CD2 3.32Å; F201-F203 HydrophobicContact CB-CD2 4.36Å; F201-F203 HydrophobicContact CB-CE2 3.59Å; F201-F203 HydrophobicContact CB-CZ 3.94Å; F201-F203 HydrophobicContact CD1-CZ 4.21Å; F201-F203 HydrophobicContact CG-CE2 4.41Å; F201-F203 HydrophobicContact CG-CZ 4.44Å; F201-T207 CarbonylContact O-C 3.58Å; F201-T207 WeakPolarHBondContact O-CA 3.48Å; F201-Y208 PolarHBondContact N-O 3.02Å; F201-Y208 PolarHBondContact O-N 3.43Å; F201-L210 HydrophobicContact CD2-CB 4.12Å; F201-L210 HydrophobicContact CE2-CB 3.88Å; F201-L210 HydrophobicContact CE2-CD2 3.93Å; F201-L210 HydrophobicContact CZ-CD2 4.36Å; F201-W214 HydrophobicContact CE2-CZ3 4.38Å; F201-W214 HydrophobicContact CZ-CH2 4.17Å; F201-W214 HydrophobicContact CZ-CZ3 4.36Å; F201-T250 HydrophobicContact CE1-CG2 4.21Å; F201-T250 HydrophobicContact CZ-CG2 3.99Å; F201-Y252 HydrophobicContact CB-CD2 3.95Å; F201-Y252 HydrophobicContact CB-CE2 3.7Å; F201-Y252 AromaticContact CD1-CD2 3.58Å; F201-Y252 HydrophobicContact CD1-CD2 3.58Å; F201-Y252 HydrophobicContact CD1-CE2 4.11Å; F201-Y252 AromaticContact CD2-CD2 3.63Å; F201-Y252 HydrophobicContact CD2-CD2 3.63Å; F201-Y252 AromaticContact CD2-CE2 3.36Å; F201-Y252 HydrophobicContact CD2-CE2 3.36Å; F201-Y252 AromaticContact CE1-CD2 3.91Å; F201-Y252 HydrophobicContact CE1-CD2 3.91Å; F201-Y252 AromaticContact CE2-CD2 3.96Å; F201-Y252 HydrophobicContact CE2-CD2 3.96Å; F201-Y252 AromaticContact CE2-CE2 3.96Å; F201-Y252 HydrophobicContact CE2-CE2 3.96Å; F201-Y252 AromaticContact CG-CD2 3.43Å; F201-Y252 HydrophobicContact CG-CD2 3.43Å; F201-Y252 VanDerWaalsContact CG-CD2 3.43Å; F201-Y252 AromaticContact CG-CE2 3.44Å; F201-Y252 HydrophobicContact CG-CE2 3.44Å; F201-Y252 VanDerWaalsContact CG-CE2 3.44Å; F201-Y252 HydrophobicContact CZ-CD2 4.09Å
202	R	77.7	Confident	80.1	Confident	206 Å²	206	54.3 Å²	54.3	78%	0.777	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.2	177.4	-69.7	-175.4	177.1	174.3	1.3	110.2	N206	R202-N206 CarbonylContact C-O 3.54Å; R202-N206 VanDerWaalsContact CA-O 3.28Å; R202-N206 WeakPolarHBondContact CA-O 3.43Å
203	F	74.2	Confident	79.6	Confident	50 Å²	50	60 Å²	60	22%	0.219	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	125	174	-53.7	-72.6	0	0	0	109.5	F201 G205 N206 Y208 Y252	F201-F203 HydrophobicContact CB-CD2 4.36Å; F201-F203 HydrophobicContact CB-CE2 3.59Å; F201-F203 HydrophobicContact CB-CZ 3.94Å; F201-F203 HydrophobicContact CD1-CZ 4.21Å; F201-F203 HydrophobicContact CG-CE2 4.41Å; F201-F203 HydrophobicContact CG-CZ 4.44Å; F203-G205 VanDerWaalsContact C-N 3.27Å; F203-G205 PolarHBondContact O-N 2.89Å; F203-N206 PolarHBondContact N-O 2.86Å; F203-N206 WeakPolarHBondContact O-CB 3.46Å; F203-N206 PolarHBondContact O-N 3.43Å; F203-Y208 HydrophobicContact CB-CD2 4.4Å; F203-Y208 HydrophobicContact CB-CE2 3.75Å; F203-Y208 AromaticContact CD2-CD2 3.51Å; F203-Y208 HydrophobicContact CD2-CD2 3.51Å; F203-Y208 AromaticContact CD2-CE2 3.61Å; F203-Y208 HydrophobicContact CD2-CE2 3.61Å; F203-Y208 HydrophobicContact CD2-CG 4.25Å; F203-Y208 HydrophobicContact CE2-CD2 4.29Å; F203-Y208 HydrophobicContact CG-CD2 4.4Å; F203-Y208 HydrophobicContact CG-CE2 4.17Å; F203-Y252 AromaticContact CE2-CD1 3.75Å; F203-Y252 HydrophobicContact CE2-CD1 3.75Å; F203-Y252 AromaticContact CE2-CD2 3.86Å; F203-Y252 HydrophobicContact CE2-CD2 3.86Å; F203-Y252 AromaticContact CE2-CE1 3.92Å; F203-Y252 HydrophobicContact CE2-CE1 3.92Å; F203-Y252 HydrophobicContact CE2-CE2 4.02Å; F203-Y252 AromaticContact CE2-CG 3.71Å; F203-Y252 HydrophobicContact CE2-CG 3.71Å; F203-Y252 HydrophobicContact CZ-CD1 4.08Å; F203-Y252 AromaticContact CZ-CD2 3.96Å; F203-Y252 HydrophobicContact CZ-CD2 3.96Å; F203-Y252 AromaticContact CZ-CG 3.68Å; F203-Y252 HydrophobicContact CZ-CG 3.68Å
204	D	72.5	Confident	79.5	Confident	65 Å²	65	60.7 Å²	60.7	35%	0.348	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	47.7	178.8	-72.7	-28.5	0	0	0	113.3	N206 T331 K333	D204-N206 PolarHBondContact O-N 2.78Å; D204-N206 VanDerWaalsContact O-N 3.14Å; D204-N206 PolarHBondContact O-ND2 2.86Å; D204-T331 HydrophobicContact CB-CG2 3.84Å; D204-T331 PolarHBondContact OD2-OG1 3.46Å; D204-K333 WeakPolarHBondContact OD1-CD 3.04Å; D204-K333 WeakPolarHBondContact OD1-CE 3.41Å; D204-K333 IonicContact OD1-NZ 2.73Å; D204-K333 PolarHBondContact OD1-NZ 3.09Å
205	G	72.7	Confident	79.6	Confident	77 Å²	77	62.5 Å²	62.5	79%	0.794	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	-15.8	-179.4	0	0	0	0	0	115.5	F203	F203-G205 VanDerWaalsContact C-N 3.27Å; F203-G205 PolarHBondContact O-N 2.89Å
206	N	72.8	Confident	79.6	Confident	52 Å²	52	66.8 Å²	66.8	28%	0.278	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	138.8	178	-62.9	-74.4	0	0	0	110.9	R202 F203 D204 Y208	R202-N206 CarbonylContact C-O 3.54Å; R202-N206 VanDerWaalsContact CA-O 3.28Å; R202-N206 WeakPolarHBondContact CA-O 3.43Å; F203-N206 PolarHBondContact N-O 2.86Å; F203-N206 WeakPolarHBondContact O-CB 3.46Å; F203-N206 PolarHBondContact O-N 3.43Å; D204-N206 PolarHBondContact O-N 2.78Å; D204-N206 VanDerWaalsContact O-N 3.14Å; D204-N206 PolarHBondContact O-ND2 2.86Å; N206-Y208 HydrophobicContact CB-CD2 4.42Å; N206-Y208 HydrophobicContact CB-CE2 3.6Å; N206-Y208 WeakPolarHBondContact O-CD2 3.21Å; N206-Y208 WeakPolarHBondContact O-CE2 3.45Å
207	T	78.5	Confident	79.6	Confident	52 Å²	52	62.6 Å²	62.6	32%	0.319	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.9	174.3	-58.5	0	0	0	0	110	L200 F201	L200-T207 HydrophobicContact CD2-CG2 4.25Å; F201-T207 CarbonylContact O-C 3.58Å; F201-T207 WeakPolarHBondContact O-CA 3.48Å
208	Y	79.2	Confident	79.5	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.3	179.3	-55.8	-105.6	0	0	0	109.3	L200 F201 F203 N206 Y252 P319 A329	L200-Y208 WeakPolarHBondContact CA-O 3.43Å; F201-Y208 PolarHBondContact N-O 3.02Å; F201-Y208 PolarHBondContact O-N 3.43Å; F203-Y208 HydrophobicContact CB-CD2 4.4Å; F203-Y208 HydrophobicContact CB-CE2 3.75Å; F203-Y208 AromaticContact CD2-CD2 3.51Å; F203-Y208 HydrophobicContact CD2-CD2 3.51Å; F203-Y208 AromaticContact CD2-CE2 3.61Å; F203-Y208 HydrophobicContact CD2-CE2 3.61Å; F203-Y208 HydrophobicContact CD2-CG 4.25Å; F203-Y208 HydrophobicContact CE2-CD2 4.29Å; F203-Y208 HydrophobicContact CG-CD2 4.4Å; F203-Y208 HydrophobicContact CG-CE2 4.17Å; N206-Y208 HydrophobicContact CB-CD2 4.42Å; N206-Y208 HydrophobicContact CB-CE2 3.6Å; N206-Y208 WeakPolarHBondContact O-CD2 3.21Å; N206-Y208 WeakPolarHBondContact O-CE2 3.45Å; Y208-Y252 WeakPolarHBondContact CB-OH 3.39Å; Y208-P319 WeakPolarHBondContact OH-CG 3.25Å; Y208-A329 HydrophobicContact CE1-CB 4.07Å
209	I	80.1	Confident	79.3	Confident	66 Å²	66	66.6 Å²	66.6	34%	0.338	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.8	178.2	-49.3	-166.5	0	0	0	108.6	N199 L200 D211 T324	N199-I209 WeakPolarHBondContact O-CA 3.35Å; L200-I209 HydrophobicContact CD2-CB 4.45Å; L200-I209 HydrophobicContact CD2-CD1 3.99Å; L200-I209 HydrophobicContact CD2-CG1 3.7Å; L200-I209 HydrophobicContact CD2-CG2 4.43Å; I209-D211 HydrophobicContact CG2-CB 4.44Å; I209-D211 PolarHBondContact O-N 2.75Å; I209-T324 HydrophobicContact CD1-CG2 3.47Å; I209-T324 VanDerWaalsContact CD1-CG2 3.47Å; I209-T324 HydrophobicContact CG1-CG2 3.82Å
210	L	80.1	Confident	78.7	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	34%	0.341	C	S	.	.			trans	-92	76	176	-172.5	66.3	0	0	0	110.4	N199 F201 T212 W214 W215 Y251 Y252 V327	N199-L210 WeakPolarHBondContact CB-O 3.35Å; N199-L210 PolarHBondContact O-N 2.88Å; F201-L210 HydrophobicContact CD2-CB 4.12Å; F201-L210 HydrophobicContact CE2-CB 3.88Å; F201-L210 HydrophobicContact CE2-CD2 3.93Å; F201-L210 HydrophobicContact CZ-CD2 4.36Å; L210-T212 VanDerWaalsContact C-N 3.32Å; L210-T212 HydrophobicContact CD1-CG2 3.54Å; L210-T212 HydrophobicContact CG-CG2 3.98Å; L210-T212 PolarHBondContact O-N 3.06Å; L210-T212 VanDerWaalsContact O-N 3.1Å; L210-W214 HydrophobicContact CD2-CE3 3.85Å; L210-W214 HydrophobicContact CD2-CZ3 4.06Å; L210-W215 WeakPolarHBondContact O-CB 3.29Å; L210-Y251 HydrophobicContact CD1-CD1 4.03Å; L210-Y251 HydrophobicContact CD1-CG 3.94Å; L210-Y252 HydrophobicContact CB-CE2 4.07Å; L210-Y252 HydrophobicContact CD1-CE2 4.46Å; L210-Y252 HydrophobicContact CD2-CD2 4.41Å; L210-Y252 HydrophobicContact CD2-CE2 4.32Å; L210-V327 HydrophobicContact CD1-CB 4.4Å; L210-V327 HydrophobicContact CD1-CG1 3.66Å
211	D	76.4	Confident	77.8	Confident	133 Å²	133	65 Å²	65	71%	0.711	32%	0.323	S	S	*	.			trans	-86.2	73.3	176.7	-159.6	26.6	0	0	0	111.3	I209	I209-D211 HydrophobicContact CG2-CB 4.44Å; I209-D211 PolarHBondContact O-N 2.75Å
212	T	79.1	Confident	77.1	Confident	49 Å²	49	65.2 Å²	65.2	30%	0.301	33%	0.334	S	S	.	.	S	Bend	trans	-117.4	169.6	-179.1	63.5	0	0	0	0	110.9	L210 W214 W215 E216	L210-T212 VanDerWaalsContact C-N 3.32Å; L210-T212 HydrophobicContact CD1-CG2 3.54Å; L210-T212 HydrophobicContact CG-CG2 3.98Å; L210-T212 PolarHBondContact O-N 3.06Å; L210-T212 VanDerWaalsContact O-N 3.1Å; T212-W214 PolarHBondContact O-N 2.72Å; T212-W214 VanDerWaalsContact O-N 3.11Å; T212-W215 WeakPolarHBondContact O-CB 3.15Å; T212-W215 PolarHBondContact O-N 3.29Å; T212-E216 PolarHBondContact O-N 3.46Å
213	K	78.6	Confident	76.6	Confident	119 Å²	119	59.2 Å²	59.2	52%	0.517	32%	0.324	S	S	.	.	H	α-helix	trans	-53.1	-32.9	172.7	-72.7	-168.3	172.5	-164.8	0	113.3	W215 E216 F217	K213-W215 VanDerWaalsContact C-N 3.26Å; K213-W215 PolarHBondContact O-N 2.79Å; K213-E216 WeakPolarHBondContact O-CB 3.43Å; K213-E216 PolarHBondContact O-N 2.88Å; K213-F217 HydrophobicContact CB-CD2 4.32Å; K213-F217 HydrophobicContact CB-CE2 4.07Å; K213-F217 WeakPolarHBondContact O-CD2 3.42Å; K213-F217 PolarHBondContact O-N 3.38Å
214	W	84.3	Confident	76.5	Confident	16 Å²	16	57.9 Å²	57.9	6%	0.061	32%	0.321	C	S	.	.	H	α-helix	trans	-56.3	-42.5	174.3	167.3	89.9	0	0	0	111.6	Y161 E197 F201 L210 T212 F217 S218 H248 D249 T250	Y161-W214 AromaticContact CD2-CD1 3.67Å; Y161-W214 HydrophobicContact CD2-CG 4.48Å; Y161-W214 AromaticContact CD2-NE1 3.88Å; Y161-W214 AromaticContact CE2-NE1 3.73Å; E197-W214 HydrophobicContact CB-CH2 4.23Å; E197-W214 HydrophobicContact CB-CZ2 4.41Å; E197-W214 HydrophobicContact CG-CH2 4.2Å; E197-W214 HydrophobicContact CG-CZ2 3.97Å; F201-W214 HydrophobicContact CE2-CZ3 4.38Å; F201-W214 HydrophobicContact CZ-CH2 4.17Å; F201-W214 HydrophobicContact CZ-CZ3 4.36Å; L210-W214 HydrophobicContact CD2-CE3 3.85Å; L210-W214 HydrophobicContact CD2-CZ3 4.06Å; T212-W214 PolarHBondContact O-N 2.72Å; T212-W214 VanDerWaalsContact O-N 3.11Å; W214-F217 PolarHBondContact O-N 3.28Å; W214-S218 VanDerWaalsContact O-CB 3.3Å; W214-S218 WeakPolarHBondContact O-CB 3.45Å; W214-S218 PolarHBondContact O-N 3.06Å; W214-H248 AromaticContact CZ2-NE2 3.82Å; W214-D249 PolarHBondContact NE1-O 3.07Å; W214-T250 HydrophobicContact CH2-CG2 4.05Å; W214-T250 HydrophobicContact CZ2-CG2 3.64Å
215	W	85.6	Confident	76.7	Confident	44 Å²	44	54.9 Å²	54.9	17%	0.167	31%	0.305	C	S	.	.	H	α-helix	trans	-70.5	-39.7	179	177.1	-126.3	0	0	0	112.1	E197 S198 N199 L210 T212 K213 F217 S218 K219	E197-W215 HydrophobicContact CB-CZ3 4.26Å; E197-W215 WeakPolarHBondContact O-CH2 3.49Å; E197-W215 VanDerWaalsContact O-CZ3 3.32Å; E197-W215 WeakPolarHBondContact O-CZ3 3.43Å; S198-W215 VanDerWaalsContact C-CZ3 3.48Å; N199-W215 HydrophobicContact CB-CB 4.25Å; N199-W215 HydrophobicContact CB-CD2 3.5Å; N199-W215 HydrophobicContact CB-CE3 4.04Å; N199-W215 HydrophobicContact CB-CG 3.58Å; N199-W215 HydrophobicContact CB-CZ2 4.19Å; N199-W215 VanDerWaalsContact CG-CE2 3.46Å; N199-W215 VanDerWaalsContact CG-NE1 3.35Å; N199-W215 PolarHBondContact ND2-NE1 2.75Å; L210-W215 WeakPolarHBondContact O-CB 3.29Å; T212-W215 WeakPolarHBondContact O-CB 3.15Å; T212-W215 PolarHBondContact O-N 3.29Å; K213-W215 VanDerWaalsContact C-N 3.26Å; K213-W215 PolarHBondContact O-N 2.79Å; W215-F217 VanDerWaalsContact C-N 3.34Å; W215-F217 PolarHBondContact O-N 3.05Å; W215-S218 PolarHBondContact O-N 2.83Å; W215-K219 VanDerWaalsContact O-CB 3.27Å; W215-K219 WeakPolarHBondContact O-CB 3.32Å; W215-K219 PolarHBondContact O-N 3.4Å
216	E	80.5	Confident	76.7	Confident	128 Å²	128	53.4 Å²	53.4	60%	0.598	28%	0.275	S	S	*	.	H	α-helix	trans	-56.4	-48.3	173.5	-170.7	-174.9	173.3	0	0	111.1	T212 K213 H220	T212-E216 PolarHBondContact O-N 3.46Å; K213-E216 WeakPolarHBondContact O-CB 3.43Å; K213-E216 PolarHBondContact O-N 2.88Å; E216-H220 WeakPolarHBondContact O-CB 3.05Å; E216-H220 PolarHBondContact O-N 2.93Å; E216-H220 VanDerWaalsContact O-N 3.09Å
217	F	79.2	Confident	76.4	Confident	35 Å²	35	53.5 Å²	53.5	15%	0.154	28%	0.28	C	S	.	.	H	α-helix	trans	-66.8	-43.2	175.7	-69.3	-61.3	0	0	0	112.6	Y161 K213 W214 W215 K219 H220 Y221 H524	Y161-F217 HydrophobicContact CD1-CB 4.37Å; Y161-F217 HydrophobicContact CD2-CB 4.18Å; Y161-F217 HydrophobicContact CG-CB 3.84Å; K213-F217 HydrophobicContact CB-CD2 4.32Å; K213-F217 HydrophobicContact CB-CE2 4.07Å; K213-F217 WeakPolarHBondContact O-CD2 3.42Å; K213-F217 PolarHBondContact O-N 3.38Å; W214-F217 PolarHBondContact O-N 3.28Å; W215-F217 VanDerWaalsContact C-N 3.34Å; W215-F217 PolarHBondContact O-N 3.05Å; F217-K219 PolarHBondContact O-N 2.94Å; F217-H220 VanDerWaalsContact O-CB 3.28Å; F217-H220 WeakPolarHBondContact O-CB 3.49Å; F217-H220 PolarHBondContact O-N 3.15Å; F217-Y221 VanDerWaalsContact O-CD2 3.25Å; F217-Y221 WeakPolarHBondContact O-CD2 3.05Å; F217-Y221 PolarHBondContact O-N 2.95Å; F217-H524 AromaticContact CD1-CE1 3.74Å; F217-H524 AromaticContact CD1-NE2 3.51Å; F217-H524 AromaticContact CE1-CE1 3.42Å; F217-H524 VanDerWaalsContact CE1-CE1 3.42Å; F217-H524 WeakPolarHBondContact CE1-CE1 3.12Å; F217-H524 AromaticContact CE1-NE2 3.35Å; F217-H524 WeakPolarHBondContact CE1-NE2 3.38Å
218	S	81.8	Confident	76.2	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.007	27%	0.265	C	S	.	.	H	α-helix	trans	-56.8	-52.2	176.3	175.2	0	0	0	0	110.9	E197 W214 W215 H220 Y221 K225	E197-S218 WeakPolarHBondContact CB-OG 3.27Å; E197-S218 WeakPolarHBondContact OE2-CB 3.24Å; E197-S218 PolarHBondContact OE2-OG 3.42Å; W214-S218 VanDerWaalsContact O-CB 3.3Å; W214-S218 WeakPolarHBondContact O-CB 3.45Å; W214-S218 PolarHBondContact O-N 3.06Å; W215-S218 PolarHBondContact O-N 2.83Å; S218-H220 PolarHBondContact O-N 3.37Å; S218-Y221 PolarHBondContact O-N 3.24Å; S218-Y221 VanDerWaalsContact O-N 3.11Å; S218-K225 VanDerWaalsContact C-NZ 3.34Å; S218-K225 PolarHBondContact O-NZ 2.97Å; S218-K225 WeakPolarHBondContact OG-CE 3Å; S218-K225 PolarHBondContact OG-NZ 3.44Å
219	K	78.8	Confident	76.1	Confident	150 Å²	150	51.1 Å²	51.1	65%	0.652	27%	0.265	S	S	*	.	H	α-helix	trans	-57.7	-36.7	178.3	-174.8	177.7	178.9	-179.7	0	111.7	W215 F217 Y221 G222	W215-K219 VanDerWaalsContact O-CB 3.27Å; W215-K219 WeakPolarHBondContact O-CB 3.32Å; W215-K219 PolarHBondContact O-N 3.4Å; F217-K219 PolarHBondContact O-N 2.94Å; K219-Y221 VanDerWaalsContact C-N 3.33Å; K219-Y221 PolarHBondContact O-N 3.02Å; K219-G222 PolarHBondContact O-N 3.21Å
220	H	73.7	Confident	75.6	Confident	63 Å²	63	55.4 Å²	55.4	29%	0.292	28%	0.277	S	S	.	.	H	α-helix	trans	-58.8	-40.6	177	-176.5	72	0	0	0	113	E216 F217 S218 G222 F523	E216-H220 WeakPolarHBondContact O-CB 3.05Å; E216-H220 PolarHBondContact O-N 2.93Å; E216-H220 VanDerWaalsContact O-N 3.09Å; F217-H220 VanDerWaalsContact O-CB 3.28Å; F217-H220 WeakPolarHBondContact O-CB 3.49Å; F217-H220 PolarHBondContact O-N 3.15Å; S218-H220 PolarHBondContact O-N 3.37Å; H220-G222 PolarHBondContact O-N 3.04Å; H220-F523 PolarHBondContact CE1-O 2.85Å; H220-F523 WeakPolarHBondContact NE2-CB 3.31Å; H220-F523 AromaticContact NE2-CD1 3.63Å; H220-F523 PolarHBondContact NE2-O 2.84Å
221	Y	65.2	Low	75	Confident	26 Å²	26	57 Å²	57	10%	0.102	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-0.2	175.6	-70.4	-76	0	0	0	114.1	Y161 F217 S218 K219 S224 F228 Q231	Y161-Y221 AromaticContact CD1-CD2 3.85Å; Y161-Y221 HydrophobicContact CD1-CD2 3.85Å; Y161-Y221 AromaticContact CD1-CE2 3.74Å; Y161-Y221 HydrophobicContact CD1-CE2 3.74Å; Y161-Y221 AromaticContact CE1-CD2 3.61Å; Y161-Y221 HydrophobicContact CE1-CD2 3.61Å; Y161-Y221 AromaticContact CE1-CE2 3.95Å; Y161-Y221 HydrophobicContact CE1-CE2 3.95Å; Y161-Y221 HydrophobicContact CE1-CG 4.49Å; F217-Y221 VanDerWaalsContact O-CD2 3.25Å; F217-Y221 WeakPolarHBondContact O-CD2 3.05Å; F217-Y221 PolarHBondContact O-N 2.95Å; S218-Y221 PolarHBondContact O-N 3.24Å; S218-Y221 VanDerWaalsContact O-N 3.11Å; K219-Y221 VanDerWaalsContact C-N 3.33Å; K219-Y221 PolarHBondContact O-N 3.02Å; Y221-S224 VanDerWaalsContact O-O 3.08Å; Y221-F228 HydrophobicContact CD1-CB 3.7Å; Y221-F228 HydrophobicContact CD2-CB 4.27Å; Y221-F228 HydrophobicContact CD2-CD2 4.25Å; Y221-F228 HydrophobicContact CD2-CG 4.4Å; Y221-F228 HydrophobicContact CE1-CB 3.74Å; Y221-F228 HydrophobicContact CE1-CD2 4.01Å; Y221-F228 HydrophobicContact CE1-CG 4.33Å; Y221-F228 HydrophobicContact CE2-CB 4.33Å; Y221-F228 AromaticContact CE2-CD2 3.62Å; Y221-F228 HydrophobicContact CE2-CD2 3.62Å; Y221-F228 HydrophobicContact CE2-CE2 4.37Å; Y221-F228 HydrophobicContact CE2-CG 4.2Å; Y221-F228 HydrophobicContact CG-CB 3.98Å; Y221-F228 AromaticContact CZ-CD2 3.47Å; Y221-F228 VanDerWaalsContact CZ-CD2 3.47Å; Y221-Q231 PolarHBondContact OH-OE1 3.23Å
222	G	67.8	Low	75	Confident	37 Å²	37	50.8 Å²	50.8	38%	0.381	25%	0.251	S	S	.	.			trans	68.3	-159.3	178.9	0	0	0	0	0	113.8	K219 H220 K225	K219-G222 PolarHBondContact O-N 3.21Å; H220-G222 PolarHBondContact O-N 3.04Å; G222-K225 PolarHBondContact O-NZ 2.76Å
223	S	66.7	Low	74.6	Confident	81 Å²	81	49.2 Å²	49.2	57%	0.566	24%	0.242	S	C	*	.	S	Bend	trans	-69.5	-32.3	-176.6	50.2	0	0	0	0	113.3	N196	N196-S223 PolarHBondContact N-O 3.48Å; N196-S223 WeakPolarHBondContact OD1-CB 3.32Å; N196-S223 PolarHBondContact OD1-O 2.81Å
224	S	72.5	Confident	74.1	Confident	22 Å²	22	49.4 Å²	49.4	15%	0.154	25%	0.248	C	C	.	.			trans	-103.9	123.4	-179	-165.2	0	0	0	0	112.4	K52 E195 Y221 W226	K52-S224 VanDerWaalsContact CE-OG 3.25Å; K52-S224 WeakPolarHBondContact CE-OG 3.47Å; K52-S224 PolarHBondContact NZ-OG 3.42Å; E195-S224 WeakPolarHBondContact OE2-CA 3.26Å; E195-S224 WeakPolarHBondContact OE2-CB 3.4Å; E195-S224 PolarHBondContact OE2-OG 3.17Å; Y221-S224 VanDerWaalsContact O-O 3.08Å; S224-W226 VanDerWaalsContact C-N 3.3Å
225	K	78.1	Confident	73.8	Confident	2 Å²	2	49 Å²	49	1%	0.009	25%	0.247	C	C	.	.			trans	-90.9	1.8	-178.3	-51.2	-49.4	-166.6	-167	0	112.6	Y161 P193 M194 E195 E197 S218 G222 S227 F228 V229	Y161-K225 WeakPolarHBondContact OH-CD 3.42Å; Y161-K225 VanDerWaalsContact OH-CE 3.29Å; Y161-K225 WeakPolarHBondContact OH-CE 3.3Å; P193-K225 HydrophobicContact CB-CB 4.15Å; P193-K225 HydrophobicContact CB-CG 4.12Å; P193-K225 HydrophobicContact CG-CB 4.05Å; M194-K225 WeakPolarHBondContact O-CE 3.18Å; M194-K225 WeakPolarHBondContact O-CG 3.35Å; E195-K225 WeakPolarHBondContact OE1-CA 3.46Å; E195-K225 PolarHBondContact OE1-N 3.07Å; E197-K225 WeakPolarHBondContact OE2-CE 3.29Å; E197-K225 IonicContact OE2-NZ 2.92Å; S218-K225 VanDerWaalsContact C-NZ 3.34Å; S218-K225 PolarHBondContact O-NZ 2.97Å; S218-K225 WeakPolarHBondContact OG-CE 3Å; S218-K225 PolarHBondContact OG-NZ 3.44Å; G222-K225 PolarHBondContact O-NZ 2.76Å; K225-S227 PolarHBondContact O-N 3.43Å; K225-F228 WeakPolarHBondContact O-CB 3.43Å; K225-F228 PolarHBondContact O-N 3.38Å; K225-F228 VanDerWaalsContact O-N 3.11Å; K225-V229 HydrophobicContact CB-CG2 4.47Å; K225-V229 VanDerWaalsContact O-CG2 3.32Å; K225-V229 WeakPolarHBondContact O-CG2 3.2Å; K225-V229 PolarHBondContact O-N 3.32Å
226	W	71.7	Confident	73.3	Confident	46 Å²	46	47 Å²	47	17%	0.174	24%	0.24	C	C	.	.	H	α-helix	trans	-52.2	-46.8	-177.6	173.3	-116.8	0	0	0	114.2	I49 S51 K52 W55 S224 F228 V229 R230	I49-W226 HydrophobicContact CB-CZ3 4.37Å; I49-W226 WeakPolarHBondContact O-CH2 3.25Å; S51-W226 VanDerWaalsContact C-CZ2 3.48Å; S51-W226 VanDerWaalsContact C-CZ3 3.49Å; S51-W226 VanDerWaalsContact CA-CH2 3.47Å; S51-W226 WeakPolarHBondContact O-CH2 3.45Å; S51-W226 WeakPolarHBondContact O-CZ3 3.39Å; K52-W226 HydrophobicContact CB-CB 4.42Å; K52-W226 HydrophobicContact CB-CD2 3.78Å; K52-W226 HydrophobicContact CB-CE3 4.43Å; K52-W226 HydrophobicContact CB-CG 3.74Å; K52-W226 HydrophobicContact CD-CB 4.31Å; K52-W226 HydrophobicContact CD-CG 4.26Å; K52-W226 HydrophobicContact CG-CB 4.04Å; K52-W226 HydrophobicContact CG-CD2 4.34Å; K52-W226 HydrophobicContact CG-CG 3.88Å; K52-W226 VanDerWaalsContact N-CZ2 3.31Å; W55-W226 HydrophobicContact CB-CE3 3.56Å; W55-W226 HydrophobicContact CB-CZ3 3.67Å; W55-W226 AromaticContact CG-CE3 3.89Å; W55-W226 HydrophobicContact CG-CE3 3.89Å; W55-W226 HydrophobicContact CG-CZ3 4.33Å; S224-W226 VanDerWaalsContact C-N 3.3Å; W226-F228 VanDerWaalsContact C-N 3.3Å; W226-F228 PolarHBondContact O-N 2.88Å; W226-V229 PolarHBondContact O-N 2.87Å; W226-R230 HydrophobicContact CD2-CG 4.27Å; W226-R230 HydrophobicContact CH2-CG 4.1Å; W226-R230 HydrophobicContact CZ2-CG 3.82Å; W226-R230 HydrophobicContact CZ3-CG 4.42Å; W226-R230 WeakPolarHBondContact O-CG 3.21Å; W226-R230 PolarHBondContact O-N 3.05Å; W226-R230 VanDerWaalsContact O-N 3.1Å
227	S	66.7	Low	72.7	Confident	53 Å²	53	45.2 Å²	45.2	37%	0.371	23%	0.234	S	C	.	.	H	α-helix	trans	-60.1	-42.6	179.3	51.6	0	0	0	0	111.6	K225 Q231	K225-S227 PolarHBondContact O-N 3.43Å; S227-Q231 WeakPolarHBondContact O-CG 3.09Å; S227-Q231 PolarHBondContact O-N 3.5Å
228	F	74.1	Confident	72	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.009	24%	0.243	C	C	.	.	H	α-helix	trans	-66.6	-42.5	176.2	172.2	-94.7	0	0	0	112.5	V160 Y161 P193 Y221 K225 W226 R230 Q231 L232	V160-F228 HydrophobicContact CB-CE1 4.33Å; V160-F228 HydrophobicContact CB-CZ 4.4Å; V160-F228 HydrophobicContact CG1-CE1 4.16Å; V160-F228 HydrophobicContact CG1-CZ 4.36Å; V160-F228 HydrophobicContact CG2-CE1 3.5Å; V160-F228 HydrophobicContact CG2-CZ 3.79Å; V160-F228 VanDerWaalsContact O-CZ 3.27Å; V160-F228 WeakPolarHBondContact O-CZ 3.4Å; Y161-F228 HydrophobicContact CD1-CD1 4.18Å; Y161-F228 AromaticContact CD1-CD2 3.77Å; Y161-F228 HydrophobicContact CD1-CD2 3.77Å; Y161-F228 HydrophobicContact CD1-CE1 4Å; Y161-F228 AromaticContact CD1-CE2 3.54Å; Y161-F228 HydrophobicContact CD1-CE2 3.54Å; Y161-F228 HydrophobicContact CD1-CG 4.08Å; Y161-F228 AromaticContact CD1-CZ 3.68Å; Y161-F228 HydrophobicContact CD1-CZ 3.68Å; Y161-F228 AromaticContact CE1-CD1 3.7Å; Y161-F228 HydrophobicContact CE1-CD1 3.7Å; Y161-F228 AromaticContact CE1-CD2 3.9Å; Y161-F228 HydrophobicContact CE1-CD2 3.9Å; Y161-F228 AromaticContact CE1-CE1 3.86Å; Y161-F228 HydrophobicContact CE1-CE1 3.86Å; Y161-F228 HydrophobicContact CE1-CE2 4.04Å; Y161-F228 AromaticContact CE1-CG 3.72Å; Y161-F228 HydrophobicContact CE1-CG 3.72Å; Y161-F228 HydrophobicContact CE1-CZ 4.03Å; Y161-F228 HydrophobicContact CG-CZ 4.48Å; P193-F228 HydrophobicContact CB-CD1 4.49Å; P193-F228 HydrophobicContact CG-CD1 3.82Å; P193-F228 HydrophobicContact CG-CE1 3.95Å; Y221-F228 HydrophobicContact CD1-CB 3.7Å; Y221-F228 HydrophobicContact CD2-CB 4.27Å; Y221-F228 HydrophobicContact CD2-CD2 4.25Å; Y221-F228 HydrophobicContact CD2-CG 4.4Å; Y221-F228 HydrophobicContact CE1-CB 3.74Å; Y221-F228 HydrophobicContact CE1-CD2 4.01Å; Y221-F228 HydrophobicContact CE1-CG 4.33Å; Y221-F228 HydrophobicContact CE2-CB 4.33Å; Y221-F228 AromaticContact CE2-CD2 3.62Å; Y221-F228 HydrophobicContact CE2-CD2 3.62Å; Y221-F228 HydrophobicContact CE2-CE2 4.37Å; Y221-F228 HydrophobicContact CE2-CG 4.2Å; Y221-F228 HydrophobicContact CG-CB 3.98Å; Y221-F228 AromaticContact CZ-CD2 3.47Å; Y221-F228 VanDerWaalsContact CZ-CD2 3.47Å; K225-F228 WeakPolarHBondContact O-CB 3.43Å; K225-F228 PolarHBondContact O-N 3.38Å; K225-F228 VanDerWaalsContact O-N 3.11Å; W226-F228 VanDerWaalsContact C-N 3.3Å; W226-F228 PolarHBondContact O-N 2.88Å; F228-R230 VanDerWaalsContact C-N 3.27Å; F228-R230 PolarHBondContact O-N 2.98Å; F228-Q231 WeakPolarHBondContact O-CA 3.21Å; F228-Q231 VanDerWaalsContact O-CB 3.28Å; F228-Q231 WeakPolarHBondContact O-CB 3.33Å; F228-Q231 PolarHBondContact O-N 3Å; F228-L232 HydrophobicContact CE1-CB 4.43Å; F228-L232 PolarHBondContact O-N 3.32Å
229	V	76.4	Confident	71.8	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.7	-34.7	-179.7	172.5	0	0	0	0	111.6	I49 W55 P193 K225 W226 Q231 L232 S233	I49-V229 HydrophobicContact CB-CG1 4.39Å; I49-V229 HydrophobicContact CG2-CG1 3.41Å; I49-V229 VanDerWaalsContact CG2-CG1 3.41Å; W55-V229 HydrophobicContact CD2-CB 4.48Å; W55-V229 HydrophobicContact CD2-CG1 4.07Å; W55-V229 HydrophobicContact CD2-CG2 4.15Å; W55-V229 HydrophobicContact CE3-CG1 3.87Å; W55-V229 HydrophobicContact CH2-CG1 4.19Å; W55-V229 HydrophobicContact CH2-CG2 3.78Å; W55-V229 HydrophobicContact CZ2-CB 4.45Å; W55-V229 HydrophobicContact CZ2-CG1 4.4Å; W55-V229 HydrophobicContact CZ2-CG2 3.36Å; W55-V229 HydrophobicContact CZ3-CG1 3.93Å; W55-V229 HydrophobicContact CZ3-CG2 4.34Å; P193-V229 HydrophobicContact CG-CG2 3.66Å; K225-V229 HydrophobicContact CB-CG2 4.47Å; K225-V229 VanDerWaalsContact O-CG2 3.32Å; K225-V229 WeakPolarHBondContact O-CG2 3.2Å; K225-V229 PolarHBondContact O-N 3.32Å; W226-V229 PolarHBondContact O-N 2.87Å; V229-Q231 VanDerWaalsContact C-N 3.29Å; V229-Q231 PolarHBondContact O-N 2.73Å; V229-L232 PolarHBondContact O-N 2.74Å; V229-S233 PolarHBondContact O-N 3.29Å
230	R	70.6	Confident	72	Confident	156 Å²	156	43.2 Å²	43.2	59%	0.589	23%	0.229	S	C	*	.	H	α-helix	trans	-60.8	-38.7	170	-70	-178.4	69.3	-160.2	1.3	112	W226 F228 S233 L234	W226-R230 HydrophobicContact CD2-CG 4.27Å; W226-R230 HydrophobicContact CH2-CG 4.1Å; W226-R230 HydrophobicContact CZ2-CG 3.82Å; W226-R230 HydrophobicContact CZ3-CG 4.42Å; W226-R230 WeakPolarHBondContact O-CG 3.21Å; W226-R230 PolarHBondContact O-N 3.05Å; W226-R230 VanDerWaalsContact O-N 3.1Å; F228-R230 VanDerWaalsContact C-N 3.27Å; F228-R230 PolarHBondContact O-N 2.98Å; R230-S233 PolarHBondContact O-N 2.81Å; R230-L234 WeakPolarHBondContact O-CG 3.26Å; R230-L234 PolarHBondContact O-N 2.8Å
231	Q	66.8	Low	72.8	Confident	34 Å²	34	40.9 Å²	40.9	16%	0.159	22%	0.218	C	C	.	.	H	α-helix	trans	-67.7	-43.2	175.9	-61.9	170.6	1.2	0	0	111.5	Y221 S227 F228 V229 S233 L234 E235 Y520	Y221-Q231 PolarHBondContact OH-OE1 3.23Å; S227-Q231 WeakPolarHBondContact O-CG 3.09Å; S227-Q231 PolarHBondContact O-N 3.5Å; F228-Q231 WeakPolarHBondContact O-CA 3.21Å; F228-Q231 VanDerWaalsContact O-CB 3.28Å; F228-Q231 WeakPolarHBondContact O-CB 3.33Å; F228-Q231 PolarHBondContact O-N 3Å; V229-Q231 VanDerWaalsContact C-N 3.29Å; V229-Q231 PolarHBondContact O-N 2.73Å; Q231-S233 VanDerWaalsContact C-N 3.27Å; Q231-S233 PolarHBondContact O-N 3.04Å; Q231-L234 PolarHBondContact O-N 3.45Å; Q231-L234 VanDerWaalsContact O-N 3.1Å; Q231-E235 PolarHBondContact O-N 3.2Å; Q231-E235 VanDerWaalsContact O-N 3.07Å; Q231-Y520 HydrophobicContact CB-CD2 4.26Å; Q231-Y520 HydrophobicContact CB-CE2 4.04Å; Q231-Y520 HydrophobicContact CG-CD2 4.39Å; Q231-Y520 HydrophobicContact CG-CE2 4.5Å
232	L	76.7	Confident	74	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-57.9	-40.4	175.5	-179.4	62.8	0	0	0	111.4	F45 V160 F228 V229 L234 E235 V236 L242 I244	F45-L232 HydrophobicContact CZ-CD2 4.36Å; F45-L232 HydrophobicContact CZ-CG 4.48Å; V160-L232 HydrophobicContact CG2-CD2 3.78Å; F228-L232 HydrophobicContact CE1-CB 4.43Å; F228-L232 PolarHBondContact O-N 3.32Å; V229-L232 PolarHBondContact O-N 2.74Å; L232-L234 VanDerWaalsContact C-N 3.33Å; L232-L234 PolarHBondContact O-N 3.46Å; L232-E235 WeakPolarHBondContact O-CB 3.49Å; L232-E235 PolarHBondContact O-N 3.29Å; L232-V236 VanDerWaalsContact O-CG2 3.3Å; L232-V236 WeakPolarHBondContact O-CG2 3.16Å; L232-V236 PolarHBondContact O-N 2.75Å; L232-L242 HydrophobicContact CD1-CD1 3.97Å; L232-I244 HydrophobicContact CD1-CD1 4.27Å; L232-I244 HydrophobicContact CD2-CD1 4.09Å; L232-I244 HydrophobicContact CG-CD1 4.15Å
233	S	71	Confident	75.2	Confident	15 Å²	15	38 Å²	38	11%	0.105	20%	0.196	C	C	.	.	H	α-helix	trans	-60.4	-40.9	174.8	-173.8	0	0	0	0	113.5	I49 V229 R230 Q231 E235 V236 D237	I49-S233 WeakPolarHBondContact CD1-OG 3.35Å; V229-S233 PolarHBondContact O-N 3.29Å; R230-S233 PolarHBondContact O-N 2.81Å; Q231-S233 VanDerWaalsContact C-N 3.27Å; Q231-S233 PolarHBondContact O-N 3.04Å; S233-E235 VanDerWaalsContact C-N 3.3Å; S233-V236 WeakPolarHBondContact O-CB 3.49Å; S233-V236 PolarHBondContact O-N 2.73Å; S233-D237 PolarHBondContact O-N 2.95Å; S233-D237 VanDerWaalsContact O-N 3.09Å
234	L	68.8	Low	76.3	Confident	124 Å²	124	34.1 Å²	34.1	65%	0.649	17%	0.169	S	C	*	.	H	α-helix	trans	-67.8	-34	178.5	-66.4	172.4	0	0	0	111.5	R230 Q231 L232 L238	R230-L234 WeakPolarHBondContact O-CG 3.26Å; R230-L234 PolarHBondContact O-N 2.8Å; Q231-L234 PolarHBondContact O-N 3.45Å; Q231-L234 VanDerWaalsContact O-N 3.1Å; L232-L234 VanDerWaalsContact C-N 3.33Å; L232-L234 PolarHBondContact O-N 3.46Å; L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 PolarHBondContact O-N 3.41Å
235	E	77.3	Confident	77	Confident	7 Å²	7	33.1 Å²	33.1	3%	0.033	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-48.5	172.4	-178.3	-176.7	-167.9	0	0	111.2	F163 R166 R170 Q231 L232 S233 D237 L238 Y239 L242	F163-E235 HydrophobicContact CD2-CB 4.43Å; F163-E235 HydrophobicContact CD2-CG 4.04Å; F163-E235 WeakPolarHBondContact CD2-OE1 3.32Å; F163-E235 WeakPolarHBondContact CD2-OE2 3.46Å; F163-E235 HydrophobicContact CE2-CB 4.14Å; F163-E235 HydrophobicContact CE2-CG 3.84Å; R166-E235 IonicContact CZ-OE1 3.32Å; R166-E235 IonicContact CZ-OE2 2.71Å; R166-E235 IonicContact NE-OE1 3.85Å; R166-E235 PolarHBondContact NE-OE1 3.17Å; R166-E235 IonicContact NE-OE2 3.1Å; R166-E235 PolarHBondContact NE-OE2 3.01Å; R166-E235 IonicContact NH2-OE1 3.46Å; R166-E235 IonicContact NH2-OE2 3.77Å; R166-E235 PolarHBondContact NH2-OE2 3.23Å; R170-E235 IonicContact CZ-OE1 3.88Å; R170-E235 VanDerWaalsContact CZ-OE1 3.29Å; R170-E235 IonicContact NH1-OE1 2.68Å; R170-E235 PolarHBondContact NH1-OE1 3.3Å; R170-E235 IonicContact NH2-OE1 3.22Å; R170-E235 PolarHBondContact NH2-OE1 3.08Å; Q231-E235 PolarHBondContact O-N 3.2Å; Q231-E235 VanDerWaalsContact O-N 3.07Å; L232-E235 WeakPolarHBondContact O-CB 3.49Å; L232-E235 PolarHBondContact O-N 3.29Å; S233-E235 VanDerWaalsContact C-N 3.3Å; E235-D237 VanDerWaalsContact C-N 3.34Å; E235-D237 PolarHBondContact O-N 2.87Å; E235-L238 PolarHBondContact O-N 2.81Å; E235-L238 VanDerWaalsContact O-N 3.08Å; E235-Y239 HydrophobicContact CG-CD2 3.67Å; E235-Y239 HydrophobicContact CG-CE2 3.84Å; E235-Y239 VanDerWaalsContact O-CD2 3.28Å; E235-Y239 WeakPolarHBondContact O-CD2 3.47Å; E235-Y239 PolarHBondContact O-N 3.34Å; E235-L242 HydrophobicContact CB-CD1 4.29Å; E235-L242 HydrophobicContact CG-CD1 3.77Å
236	V	74.3	Confident	77.1	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.012	17%	0.165	C	C	.	.	H	α-helix	trans	-52.3	-51.5	178.1	165.3	0	0	0	0	111.5	F45 R135 L232 S233 L238 D240 L242 I244	F45-V236 HydrophobicContact CE1-CG2 4.32Å; R135-V236 HydrophobicContact CG-CG1 3.48Å; R135-V236 VanDerWaalsContact CG-CG1 3.48Å; R135-V236 HydrophobicContact CG-CG2 4.31Å; L232-V236 VanDerWaalsContact O-CG2 3.3Å; L232-V236 WeakPolarHBondContact O-CG2 3.16Å; L232-V236 PolarHBondContact O-N 2.75Å; S233-V236 WeakPolarHBondContact O-CB 3.49Å; S233-V236 PolarHBondContact O-N 2.73Å; V236-L238 PolarHBondContact O-N 3.46Å; V236-D240 PolarHBondContact O-N 3.39Å; V236-L242 HydrophobicContact CB-CD1 4.39Å; V236-L242 HydrophobicContact CG2-CB 4.2Å; V236-L242 HydrophobicContact CG2-CD1 3.55Å; V236-L242 HydrophobicContact CG2-CG 4.38Å; V236-I244 HydrophobicContact CG2-CD1 3.43Å; V236-I244 VanDerWaalsContact CG2-CD1 3.43Å
237	D	68.6	Low	77.7	Confident	90 Å²	90	31.9 Å²	31.9	48%	0.481	16%	0.159	S	C	.	.	H	α-helix	trans	-70	-20.3	-177.4	-68.6	-30.6	0	0	0	112.5	S233 E235	S233-D237 PolarHBondContact O-N 2.95Å; S233-D237 VanDerWaalsContact O-N 3.09Å; E235-D237 VanDerWaalsContact C-N 3.34Å; E235-D237 PolarHBondContact O-N 2.87Å
238	L	64.5	Low	78.7	Confident	67 Å²	67	30.9 Å²	30.9	35%	0.351	15%	0.148	S	C	.	.	H	α-helix	trans	-87.5	-40.9	-174.7	-177.3	60.6	0	0	0	113.7	L234 E235 V236 Y513 K516	L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 PolarHBondContact O-N 3.41Å; E235-L238 PolarHBondContact O-N 2.81Å; E235-L238 VanDerWaalsContact O-N 3.08Å; V236-L238 PolarHBondContact O-N 3.46Å; L238-Y513 HydrophobicContact CD2-CD2 4.44Å; L238-Y513 HydrophobicContact CD2-CE2 4.35Å; L238-K516 HydrophobicContact CD2-CD 4.39Å
239	Y	77.2	Confident	79.5	Confident	48 Å²	48	31 Å²	31	19%	0.188	15%	0.149	C	C	.	.	H	α-helix	trans	-109.2	-19.4	-170.5	-58.5	-77.1	0	0	0	114.8	F163 R170 E235 D241 Y513 F517	F163-Y239 HydrophobicContact CE2-CE2 4.42Å; R170-Y239 VanDerWaalsContact CD-CD1 3.44Å; R170-Y239 VanDerWaalsContact CZ-CD2 3.43Å; E235-Y239 HydrophobicContact CG-CD2 3.67Å; E235-Y239 HydrophobicContact CG-CE2 3.84Å; E235-Y239 VanDerWaalsContact O-CD2 3.28Å; E235-Y239 WeakPolarHBondContact O-CD2 3.47Å; E235-Y239 PolarHBondContact O-N 3.34Å; Y239-D241 VanDerWaalsContact CB-OD1 3.29Å; Y239-D241 WeakPolarHBondContact CB-OD1 3.37Å; Y239-D241 PolarHBondContact O-N 3.31Å; Y239-D241 VanDerWaalsContact O-N 3.16Å; Y239-Y513 AromaticContact CE1-CE2 3.69Å; Y239-Y513 HydrophobicContact CE1-CE2 3.69Å; Y239-Y513 AromaticContact CZ-CE2 3.64Å; Y239-Y513 AromaticContact CZ-CZ 3.99Å; Y239-Y513 WeakPolarHBondContact OH-CE2 3.47Å; Y239-Y513 PolarHBondContact OH-OH 3.07Å; Y239-F517 WeakPolarHBondContact OH-CE2 3.16Å; Y239-F517 WeakPolarHBondContact OH-CZ 3.49Å
240	D	82.9	Confident	80	Confident	30 Å²	30	31.1 Å²	31.1	16%	0.16	15%	0.15	C	C	.	.	S	Bend	trans	52.3	33.9	-177.8	-167.2	46.5	0	0	0	114.3	R135 P137 E138 S139 V236	R135-D240 IonicContact NH2-OD1 3.36Å; P137-D240 WeakPolarHBondContact CB-O 3.42Å; E138-D240 WeakPolarHBondContact CB-OD1 3.43Å; E138-D240 PolarHBondContact N-OD1 3.23Å; E138-D240 PolarHBondContact N-OD2 3.22Å; S139-D240 WeakPolarHBondContact CB-OD2 3.26Å; S139-D240 PolarHBondContact N-OD2 2.77Å; S139-D240 PolarHBondContact OG-O 3Å; S139-D240 PolarHBondContact OG-OD2 3.2Å; V236-D240 PolarHBondContact O-N 3.39Å
241	D	91	Very high	80.7	Confident	14 Å²	14	27.6 Å²	27.6	8%	0.075	14%	0.137	C	C	.	.			trans	-125.3	13.8	-175.6	66.9	0	0	0	0	113.2	R170 V187 F188 Y239	R170-D241 IonicContact CZ-OD1 3.6Å; R170-D241 IonicContact CZ-OD2 2.94Å; R170-D241 IonicContact NE-OD1 2.9Å; R170-D241 IonicContact NE-OD2 3.54Å; R170-D241 PolarHBondContact NE-OD2 3.07Å; R170-D241 IonicContact NH2-OD1 3.74Å; R170-D241 PolarHBondContact NH2-OD1 3.44Å; R170-D241 IonicContact NH2-OD2 2.89Å; R170-D241 PolarHBondContact NH2-OD2 3.26Å; V187-D241 CarbonylContact C-O 3.56Å; V187-D241 WeakPolarHBondContact CA-O 3.46Å; F188-D241 WeakPolarHBondContact CE2-OD2 3.5Å; F188-D241 PolarHBondContact N-O 3.43Å; Y239-D241 VanDerWaalsContact CB-OD1 3.29Å; Y239-D241 WeakPolarHBondContact CB-OD1 3.37Å; Y239-D241 PolarHBondContact O-N 3.31Å; Y239-D241 VanDerWaalsContact O-N 3.16Å
242	L	89.8	Confident	81.5	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.1	-177.3	-58.4	-169.8	0	0	0	112.3	F188 L190 L232 E235 V236 I244	F188-L242 HydrophobicContact CB-CD2 3.67Å; F188-L242 HydrophobicContact CD2-CD2 3.84Å; F188-L242 HydrophobicContact CG-CD2 4.12Å; L190-L242 HydrophobicContact CD1-CB 4.18Å; L190-L242 HydrophobicContact CD1-CD2 3.77Å; L190-L242 HydrophobicContact CD1-CG 4.38Å; L232-L242 HydrophobicContact CD1-CD1 3.97Å; E235-L242 HydrophobicContact CB-CD1 4.29Å; E235-L242 HydrophobicContact CG-CD1 3.77Å; V236-L242 HydrophobicContact CB-CD1 4.39Å; V236-L242 HydrophobicContact CG2-CB 4.2Å; V236-L242 HydrophobicContact CG2-CD1 3.55Å; V236-L242 HydrophobicContact CG2-CG 4.38Å; L242-I244 HydrophobicContact CB-CD1 4.44Å; L242-I244 HydrophobicContact CB-CG1 4.23Å
243	L	92.6	Very high	82.1	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	108.8	166.8	-180	67.7	0	0	0	108.9	V136 V187 F188 V189 L190 F260 W264	V136-L243 HydrophobicContact CB-CD1 4.35Å; V136-L243 HydrophobicContact CG1-CD1 3.82Å; V187-L243 HydrophobicContact CG2-CB 3.58Å; F188-L243 PolarHBondContact O-N 3.01Å; V189-L243 WeakPolarHBondContact CA-O 3.36Å; V189-L243 HydrophobicContact CG1-CD2 4.26Å; V189-L243 HydrophobicContact CG2-CB 4.45Å; V189-L243 HydrophobicContact CG2-CD2 4.02Å; L190-L243 PolarHBondContact N-O 3.16Å; L243-F260 HydrophobicContact CD1-CE1 4.07Å; L243-F260 HydrophobicContact CD1-CZ 3.86Å; L243-F260 HydrophobicContact CD2-CD1 4.31Å; L243-F260 HydrophobicContact CD2-CE1 3.91Å; L243-F260 HydrophobicContact CD2-CZ 4.36Å; L243-F260 HydrophobicContact CG-CD1 4.38Å; L243-F260 HydrophobicContact CG-CE1 3.54Å; L243-F260 HydrophobicContact CG-CZ 3.87Å; L243-W264 HydrophobicContact CD1-CD2 4.09Å; L243-W264 HydrophobicContact CD1-CG 3.86Å; L243-W264 HydrophobicContact CD2-CB 3.86Å; L243-W264 HydrophobicContact CD2-CD2 3.49Å; L243-W264 VanDerWaalsContact CD2-CD2 3.49Å; L243-W264 HydrophobicContact CD2-CE3 3.62Å; L243-W264 HydrophobicContact CD2-CG 3.59Å; L243-W264 HydrophobicContact CD2-CZ3 4.35Å; L243-W264 HydrophobicContact CG-CD2 4.4Å; L243-W264 HydrophobicContact CG-CG 4.39Å
244	I	90.3	Very high	83.1	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.3	-173.8	-55.8	178.6	0	0	0	109.8	F45 A133 L134 R135 L190 I192 L232 V236 L242	F45-I244 HydrophobicContact CZ-CD1 4.35Å; A133-I244 CarbonylContact C-O 3.57Å; L134-I244 HydrophobicContact CB-CG2 4.24Å; L134-I244 HydrophobicContact CD1-CG2 4.36Å; L134-I244 PolarHBondContact N-O 3.15Å; R135-I244 HydrophobicContact CB-CB 3.93Å; R135-I244 HydrophobicContact CB-CD1 4.04Å; R135-I244 HydrophobicContact CB-CG1 4.03Å; R135-I244 PolarHBondContact N-O 3.05Å; R135-I244 PolarHBondContact O-N 3.02Å; L190-I244 HydrophobicContact CD1-CG1 4.38Å; L190-I244 WeakPolarHBondContact O-CA 3.42Å; I192-I244 HydrophobicContact CG2-CG2 3.78Å; L232-I244 HydrophobicContact CD1-CD1 4.27Å; L232-I244 HydrophobicContact CD2-CD1 4.09Å; L232-I244 HydrophobicContact CG-CD1 4.15Å; V236-I244 HydrophobicContact CG2-CD1 3.43Å; V236-I244 VanDerWaalsContact CG2-CD1 3.43Å; L242-I244 HydrophobicContact CB-CD1 4.44Å; L242-I244 HydrophobicContact CB-CG1 4.23Å
245	G	87.7	Confident	84.3	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	158.8	173.5	0	0	0	0	0	112.9	F132 L190 F247 F260	F132-G245 CarbonylContact O-C 3.57Å; F132-G245 WeakPolarHBondContact O-CA 3.05Å; L190-G245 PolarHBondContact O-N 3.36Å; G245-F247 PolarHBondContact O-N 3.22Å; G245-F260 VanDerWaalsContact CA-CE1 3.45Å; G245-F260 VanDerWaalsContact CA-CZ 3.5Å; G245-F260 VanDerWaalsContact N-CE1 3.28Å
246	S	80.7	Confident	84.9	Confident	12 Å²	12	23.6 Å²	23.6	8%	0.084	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-1.5	-179.6	60.4	0	0	0	0	115.6	F132	F132-S246 PolarHBondContact N-OG 3.43Å; F132-S246 VanDerWaalsContact N-OG 3.17Å; F132-S246 PolarHBondContact O-N 2.91Å; F132-S246 PolarHBondContact O-OG 3.42Å
247	F	84.7	Confident	85.8	Confident	11 Å²	11	23.8 Å²	23.8	5%	0.048	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	153.7	-180	53.8	-94.7	0	0	0	111.9	G191 I192 G245 D249 K256 K257 F260	G191-F247 WeakPolarHBondContact CA-O 3.09Å; I192-F247 WeakPolarHBondContact CG1-O 3.35Å; I192-F247 PolarHBondContact N-O 3.19Å; G245-F247 PolarHBondContact O-N 3.22Å; F247-D249 PolarHBondContact O-N 2.8Å; F247-K256 HydrophobicContact CB-CD 4.25Å; F247-K256 HydrophobicContact CD1-CB 4.38Å; F247-K256 HydrophobicContact CD2-CB 4.49Å; F247-K256 HydrophobicContact CG-CB 4.22Å; F247-K257 HydrophobicContact CE2-CB 3.73Å; F247-K257 HydrophobicContact CE2-CG 4.17Å; F247-K257 VanDerWaalsContact CZ-CA 3.48Å; F247-K257 HydrophobicContact CZ-CB 3.73Å; F247-K257 HydrophobicContact CZ-CG 3.97Å; F247-F260 HydrophobicContact CE1-CB 3.71Å; F247-F260 AromaticContact CE1-CD1 3.7Å; F247-F260 HydrophobicContact CE1-CD1 3.7Å; F247-F260 HydrophobicContact CE1-CE1 4.4Å; F247-F260 AromaticContact CE1-CG 3.74Å; F247-F260 HydrophobicContact CE1-CG 3.74Å; F247-F260 HydrophobicContact CZ-CB 4.36Å; F247-F260 HydrophobicContact CZ-CD1 4.05Å; F247-F260 HydrophobicContact CZ-CG 4.46Å
248	H	86.8	Confident	87.1	Confident	32 Å²	32	19.7 Å²	19.7	15%	0.148	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	120.2	174.8	-179.2	-160.8	0	0	0	111	I192 M194 E197 W214 T250 N253	I192-H248 CarbonylContact O-C 3.34Å; I192-H248 WeakPolarHBondContact O-CA 3.29Å; I192-H248 PolarHBondContact O-CD2 3.38Å; M194-H248 HydrophobicContact CG-CB 3.72Å; M194-H248 WeakPolarHBondContact CG-CD2 3.21Å; E197-H248 WeakPolarHBondContact CG-NE2 3.29Å; E197-H248 IonicContact OE1-CD2 3.42Å; E197-H248 PolarHBondContact OE1-CD2 2.89Å; E197-H248 IonicContact OE1-CE1 2.81Å; E197-H248 IonicContact OE1-NE2 2.86Å; E197-H248 PolarHBondContact OE1-NE2 2.81Å; W214-H248 AromaticContact CZ2-NE2 3.82Å; H248-T250 WeakPolarHBondContact CE1-CG2 3.29Å; H248-T250 VanDerWaalsContact ND1-CG2 3.31Å; H248-T250 WeakPolarHBondContact ND1-CG2 3.2Å; H248-T250 VanDerWaalsContact NE2-CG2 3.32Å; H248-T250 WeakPolarHBondContact NE2-CG2 3.23Å; H248-T250 PolarHBondContact O-N 3.36Å; H248-N253 WeakPolarHBondContact O-CB 3.43Å; H248-N253 PolarHBondContact O-ND2 3.26Å
249	D	90.3	Very high	88.4	Confident	4 Å²	4	16.6 Å²	16.6	2%	0.021	8%	0.077	C	C	.	.			trans	-76.5	87	-177.7	-161.7	-16.5	0	0	0	112	V160 G191 I192 W214 F247 K257	V160-D249 HydrophobicContact CB-CB 4Å; V160-D249 WeakPolarHBondContact CB-OD2 3.36Å; V160-D249 HydrophobicContact CG1-CB 4.15Å; V160-D249 PolarHBondContact N-OD2 3.12Å; G191-D249 PolarHBondContact N-OD2 3.48Å; I192-D249 PolarHBondContact O-N 2.83Å; W214-D249 PolarHBondContact NE1-O 3.07Å; F247-D249 PolarHBondContact O-N 2.8Å; D249-K257 WeakPolarHBondContact OD1-CE 3.37Å; D249-K257 IonicContact OD1-NZ 2.8Å; D249-K257 PolarHBondContact OD1-NZ 3.15Å; D249-K257 IonicContact OD2-NZ 3.29Å; D249-K257 PolarHBondContact OD2-NZ 2.77Å; D249-K257 VanDerWaalsContact OD2-NZ 3.11Å
250	T	87.4	Confident	89.1	Confident	3 Å²	3	14.3 Å²	14.3	2%	0.018	7%	0.068	C	C	.	.	S	Bend	trans	-130.5	164.1	176.7	67.9	0	0	0	0	111.2	F201 W214 H248 Y252 N253	F201-T250 HydrophobicContact CE1-CG2 4.21Å; F201-T250 HydrophobicContact CZ-CG2 3.99Å; W214-T250 HydrophobicContact CH2-CG2 4.05Å; W214-T250 HydrophobicContact CZ2-CG2 3.64Å; H248-T250 WeakPolarHBondContact CE1-CG2 3.29Å; H248-T250 VanDerWaalsContact ND1-CG2 3.31Å; H248-T250 WeakPolarHBondContact ND1-CG2 3.2Å; H248-T250 VanDerWaalsContact NE2-CG2 3.32Å; H248-T250 WeakPolarHBondContact NE2-CG2 3.23Å; H248-T250 PolarHBondContact O-N 3.36Å; T250-Y252 PolarHBondContact O-N 2.75Å; T250-Y252 PolarHBondContact OG1-N 2.86Å; T250-N253 PolarHBondContact O-N 2.71Å; T250-N253 VanDerWaalsContact O-N 3.08Å; T250-N253 PolarHBondContact OG1-N 2.82Å
251	Y	84.4	Confident	89.6	Confident	81 Å²	81	12.9 Å²	12.9	32%	0.318	6%	0.061	S	C	.	.	G	3₁₀ helix	trans	-55.9	-32.8	172.9	-168.8	-98.2	0	0	0	112.8	L210 N253 L254 V327 W328	L210-Y251 HydrophobicContact CD1-CD1 4.03Å; L210-Y251 HydrophobicContact CD1-CG 3.94Å; Y251-N253 VanDerWaalsContact C-N 3.32Å; Y251-N253 PolarHBondContact O-N 3.04Å; Y251-L254 HydrophobicContact CD2-CD1 3.62Å; Y251-L254 HydrophobicContact CE2-CD1 3.62Å; Y251-L254 HydrophobicContact CG-CD1 4.2Å; Y251-L254 WeakPolarHBondContact O-CD1 2.92Å; Y251-L254 VanDerWaalsContact O-CG 3.24Å; Y251-L254 WeakPolarHBondContact O-CG 3.47Å; Y251-V327 HydrophobicContact CD1-CB 4.16Å; Y251-V327 HydrophobicContact CD1-CG2 4.39Å; Y251-V327 HydrophobicContact CE1-CB 3.99Å; Y251-V327 HydrophobicContact CE1-CG2 3.83Å; Y251-W328 AromaticContact CZ-NE1 3.77Å; Y251-W328 PolarHBondContact OH-NE1 3.03Å
252	Y	85.1	Confident	89.6	Confident	5 Å²	5	12.3 Å²	12.3	2%	0.02	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-79.3	-12.3	180	-66.6	-59.8	0	0	0	114.6	F201 F203 Y208 L210 T250 V327 R370	F201-Y252 HydrophobicContact CB-CD2 3.95Å; F201-Y252 HydrophobicContact CB-CE2 3.7Å; F201-Y252 AromaticContact CD1-CD2 3.58Å; F201-Y252 HydrophobicContact CD1-CD2 3.58Å; F201-Y252 HydrophobicContact CD1-CE2 4.11Å; F201-Y252 AromaticContact CD2-CD2 3.63Å; F201-Y252 HydrophobicContact CD2-CD2 3.63Å; F201-Y252 AromaticContact CD2-CE2 3.36Å; F201-Y252 HydrophobicContact CD2-CE2 3.36Å; F201-Y252 AromaticContact CE1-CD2 3.91Å; F201-Y252 HydrophobicContact CE1-CD2 3.91Å; F201-Y252 AromaticContact CE2-CD2 3.96Å; F201-Y252 HydrophobicContact CE2-CD2 3.96Å; F201-Y252 AromaticContact CE2-CE2 3.96Å; F201-Y252 HydrophobicContact CE2-CE2 3.96Å; F201-Y252 AromaticContact CG-CD2 3.43Å; F201-Y252 HydrophobicContact CG-CD2 3.43Å; F201-Y252 VanDerWaalsContact CG-CD2 3.43Å; F201-Y252 AromaticContact CG-CE2 3.44Å; F201-Y252 HydrophobicContact CG-CE2 3.44Å; F201-Y252 VanDerWaalsContact CG-CE2 3.44Å; F201-Y252 HydrophobicContact CZ-CD2 4.09Å; F203-Y252 AromaticContact CE2-CD1 3.75Å; F203-Y252 HydrophobicContact CE2-CD1 3.75Å; F203-Y252 AromaticContact CE2-CD2 3.86Å; F203-Y252 HydrophobicContact CE2-CD2 3.86Å; F203-Y252 AromaticContact CE2-CE1 3.92Å; F203-Y252 HydrophobicContact CE2-CE1 3.92Å; F203-Y252 HydrophobicContact CE2-CE2 4.02Å; F203-Y252 AromaticContact CE2-CG 3.71Å; F203-Y252 HydrophobicContact CE2-CG 3.71Å; F203-Y252 HydrophobicContact CZ-CD1 4.08Å; F203-Y252 AromaticContact CZ-CD2 3.96Å; F203-Y252 HydrophobicContact CZ-CD2 3.96Å; F203-Y252 AromaticContact CZ-CG 3.68Å; F203-Y252 HydrophobicContact CZ-CG 3.68Å; Y208-Y252 WeakPolarHBondContact CB-OH 3.39Å; L210-Y252 HydrophobicContact CB-CE2 4.07Å; L210-Y252 HydrophobicContact CD1-CE2 4.46Å; L210-Y252 HydrophobicContact CD2-CD2 4.41Å; L210-Y252 HydrophobicContact CD2-CE2 4.32Å; T250-Y252 PolarHBondContact O-N 2.75Å; T250-Y252 PolarHBondContact OG1-N 2.86Å; Y252-V327 HydrophobicContact CE1-CB 4.48Å; Y252-R370 HydrophobicContact CD1-CB 4.46Å
253	N	89.1	Confident	89.5	Confident	30 Å²	30	12.2 Å²	12.2	16%	0.16	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-105.7	19.4	175.6	-71.2	-34.2	0	0	0	112	H248 T250 Y251 T255 K256 K257	H248-N253 WeakPolarHBondContact O-CB 3.43Å; H248-N253 PolarHBondContact O-ND2 3.26Å; T250-N253 PolarHBondContact O-N 2.71Å; T250-N253 VanDerWaalsContact O-N 3.08Å; T250-N253 PolarHBondContact OG1-N 2.82Å; Y251-N253 VanDerWaalsContact C-N 3.32Å; Y251-N253 PolarHBondContact O-N 3.04Å; N253-T255 VanDerWaalsContact C-N 3.27Å; N253-T255 PolarHBondContact O-N 3.5Å; N253-K256 HydrophobicContact CB-CB 4.48Å; N253-K256 HydrophobicContact CB-CD 4.36Å; N253-K256 WeakPolarHBondContact O-CB 3.29Å; N253-K256 PolarHBondContact O-N 3.14Å; N253-K257 PolarHBondContact O-N 2.72Å
254	L	92.1	Very high	89.3	Confident	27 Å²	27	12.4 Å²	12.4	14%	0.141	6%	0.058	C	C	.	.	H	α-helix	trans	-61	-36.7	176.6	-75.1	176.5	0	0	0	112.2	Y251 K257 M258 D372	Y251-L254 HydrophobicContact CD2-CD1 3.62Å; Y251-L254 HydrophobicContact CE2-CD1 3.62Å; Y251-L254 HydrophobicContact CG-CD1 4.2Å; Y251-L254 WeakPolarHBondContact O-CD1 2.92Å; Y251-L254 VanDerWaalsContact O-CG 3.24Å; Y251-L254 WeakPolarHBondContact O-CG 3.47Å; L254-K257 WeakPolarHBondContact O-CB 3.35Å; L254-K257 PolarHBondContact O-N 3.09Å; L254-K257 VanDerWaalsContact O-N 3.17Å; L254-M258 PolarHBondContact O-N 2.84Å; L254-D372 HydrophobicContact CB-CB 4.02Å
255	T	92.4	Very high	89.4	Confident	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.9	-43.3	176.1	-50.9	0	0	0	0	111.6	N253 K257 M258 I259 E368 I369 D372 Y375	N253-T255 VanDerWaalsContact C-N 3.27Å; N253-T255 PolarHBondContact O-N 3.5Å; T255-K257 VanDerWaalsContact C-N 3.29Å; T255-K257 PolarHBondContact O-N 3.17Å; T255-M258 PolarHBondContact O-N 3.22Å; T255-I259 HydrophobicContact CG2-CD1 3.98Å; T255-I259 HydrophobicContact CG2-CG1 4.43Å; T255-I259 WeakPolarHBondContact O-CG1 3.35Å; T255-I259 PolarHBondContact O-N 2.87Å; T255-E368 HydrophobicContact CG2-CG 3.54Å; T255-I369 WeakPolarHBondContact CB-O 3.14Å; T255-I369 WeakPolarHBondContact CG2-O 3.36Å; T255-I369 PolarHBondContact OG1-O 2.78Å; T255-D372 WeakPolarHBondContact OG1-CA 3.24Å; T255-D372 PolarHBondContact OG1-N 2.6Å; T255-Y375 HydrophobicContact CG2-CD1 3.35Å; T255-Y375 HydrophobicContact CG2-CD2 4.32Å; T255-Y375 HydrophobicContact CG2-CE1 3.91Å; T255-Y375 HydrophobicContact CG2-CG 3.58Å
256	K	90.8	Very high	89.3	Confident	38 Å²	38	13.2 Å²	13.2	17%	0.165	6%	0.063	C	C	.	.	H	α-helix	trans	-56.7	-44.3	171.7	-60	-170.9	178.4	174.2	0	112	M131 F247 N253 I259 F260 E368	M131-K256 HydrophobicContact CE-CB 4.06Å; M131-K256 HydrophobicContact CE-CG 4.35Å; F247-K256 HydrophobicContact CB-CD 4.25Å; F247-K256 HydrophobicContact CD1-CB 4.38Å; F247-K256 HydrophobicContact CD2-CB 4.49Å; F247-K256 HydrophobicContact CG-CB 4.22Å; N253-K256 HydrophobicContact CB-CB 4.48Å; N253-K256 HydrophobicContact CB-CD 4.36Å; N253-K256 WeakPolarHBondContact O-CB 3.29Å; N253-K256 PolarHBondContact O-N 3.14Å; K256-I259 PolarHBondContact O-N 2.9Å; K256-F260 VanDerWaalsContact O-CB 3.23Å; K256-F260 WeakPolarHBondContact O-CB 3.3Å; K256-F260 PolarHBondContact O-N 2.92Å; K256-E368 WeakPolarHBondContact CG-OE1 3.16Å; K256-E368 PolarHBondContact N-OE1 2.85Å
257	K	94.3	Very high	89.1	Confident	5 Å²	5	13.9 Å²	13.9	2%	0.022	7%	0.07	C	C	.	.	H	α-helix	trans	-61.9	-42.7	177.5	-174.6	-179.5	-69.5	-171.8	0	112.2	K157 S158 V189 F247 D249 N253 L254 T255 G261	K157-K257 HydrophobicContact CG-CD 4.5Å; S158-K257 PolarHBondContact O-NZ 2.87Å; V189-K257 HydrophobicContact CB-CG 4.34Å; V189-K257 HydrophobicContact CG1-CG 3.77Å; V189-K257 WeakPolarHBondContact O-CD 3.37Å; F247-K257 HydrophobicContact CE2-CB 3.73Å; F247-K257 HydrophobicContact CE2-CG 4.17Å; F247-K257 VanDerWaalsContact CZ-CA 3.48Å; F247-K257 HydrophobicContact CZ-CB 3.73Å; F247-K257 HydrophobicContact CZ-CG 3.97Å; D249-K257 WeakPolarHBondContact OD1-CE 3.37Å; D249-K257 IonicContact OD1-NZ 2.8Å; D249-K257 PolarHBondContact OD1-NZ 3.15Å; D249-K257 IonicContact OD2-NZ 3.29Å; D249-K257 PolarHBondContact OD2-NZ 2.77Å; D249-K257 VanDerWaalsContact OD2-NZ 3.11Å; N253-K257 PolarHBondContact O-N 2.72Å; L254-K257 WeakPolarHBondContact O-CB 3.35Å; L254-K257 PolarHBondContact O-N 3.09Å; L254-K257 VanDerWaalsContact O-N 3.17Å; T255-K257 VanDerWaalsContact C-N 3.29Å; T255-K257 PolarHBondContact O-N 3.17Å; K257-G261 PolarHBondContact O-N 3.45Å; K257-G261 VanDerWaalsContact O-N 3.07Å
258	M	94.6	Very high	88.8	Confident	5 Å²	5	14.7 Å²	14.7	3%	0.025	7%	0.073	C	C	.	.	H	α-helix	trans	-64.9	-48.4	176.8	-176.3	-172.9	70.8	0	0	111.6	L254 T255 F260 G261 L262 D372 Y375 L376	L254-M258 PolarHBondContact O-N 2.84Å; T255-M258 PolarHBondContact O-N 3.22Å; M258-F260 VanDerWaalsContact C-N 3.31Å; M258-F260 PolarHBondContact O-N 3Å; M258-G261 PolarHBondContact O-N 3.49Å; M258-L262 HydrophobicContact CG-CD1 4.35Å; M258-L262 WeakPolarHBondContact O-CG 3.42Å; M258-L262 PolarHBondContact O-N 3.48Å; M258-D372 HydrophobicContact CB-CB 4.33Å; M258-D372 WeakPolarHBondContact CE-O 3.44Å; M258-D372 HydrophobicContact SD-CB 4.25Å; M258-Y375 HydrophobicContact CE-CD1 3.59Å; M258-Y375 HydrophobicContact CE-CE1 4.33Å; M258-L376 HydrophobicContact CE-CB 3.97Å; M258-L376 HydrophobicContact CE-CD1 4.44Å; M258-L376 HydrophobicContact SD-CB 3.85Å; M258-L376 HydrophobicContact SD-CD1 4.29Å; M258-L376 HydrophobicContact SD-CD2 4.21Å; M258-L376 HydrophobicContact SD-CG 4.33Å
259	I	91.9	Very high	88.6	Confident	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-60.6	-42.6	177.4	-67.6	169.3	0	0	0	110.5	M131 T255 K256 G261 L262 R263 E368 Y375	M131-I259 HydrophobicContact CE-CB 3.78Å; M131-I259 HydrophobicContact CE-CD1 4.36Å; M131-I259 HydrophobicContact CE-CG2 3.56Å; M131-I259 HydrophobicContact SD-CB 4.23Å; M131-I259 HydrophobicContact SD-CG2 3.76Å; T255-I259 HydrophobicContact CG2-CD1 3.98Å; T255-I259 HydrophobicContact CG2-CG1 4.43Å; T255-I259 WeakPolarHBondContact O-CG1 3.35Å; T255-I259 PolarHBondContact O-N 2.87Å; K256-I259 PolarHBondContact O-N 2.9Å; I259-G261 VanDerWaalsContact C-N 3.32Å; I259-G261 PolarHBondContact O-N 3.38Å; I259-L262 PolarHBondContact O-N 3.34Å; I259-R263 HydrophobicContact CG2-CG 4.13Å; I259-R263 VanDerWaalsContact CG2-NE 3.33Å; I259-R263 WeakPolarHBondContact O-CB 3.35Å; I259-R263 WeakPolarHBondContact O-CG 3.27Å; I259-R263 PolarHBondContact O-N 2.82Å; I259-E368 HydrophobicContact CD1-CG 4.3Å; I259-Y375 HydrophobicContact CD1-CD1 4.41Å; I259-Y375 HydrophobicContact CD1-CE1 3.6Å; I259-Y375 HydrophobicContact CG1-CE1 3.84Å
260	F	91.6	Very high	88	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.7	-43.5	176.2	175.7	-119.7	0	0	0	111.9	L100 M131 A133 V189 L243 G245 F247 K256 M258 W264	L100-F260 HydrophobicContact CD1-CD2 4.36Å; L100-F260 HydrophobicContact CD1-CE2 3.92Å; M131-F260 HydrophobicContact CB-CD2 4.34Å; M131-F260 HydrophobicContact SD-CB 3.92Å; A133-F260 HydrophobicContact CB-CE2 3.85Å; A133-F260 HydrophobicContact CB-CZ 3.72Å; V189-F260 HydrophobicContact CG1-CD1 3.76Å; V189-F260 HydrophobicContact CG1-CE1 4.22Å; L243-F260 HydrophobicContact CD1-CE1 4.07Å; L243-F260 HydrophobicContact CD1-CZ 3.86Å; L243-F260 HydrophobicContact CD2-CD1 4.31Å; L243-F260 HydrophobicContact CD2-CE1 3.91Å; L243-F260 HydrophobicContact CD2-CZ 4.36Å; L243-F260 HydrophobicContact CG-CD1 4.38Å; L243-F260 HydrophobicContact CG-CE1 3.54Å; L243-F260 HydrophobicContact CG-CZ 3.87Å; G245-F260 VanDerWaalsContact CA-CE1 3.45Å; G245-F260 VanDerWaalsContact CA-CZ 3.5Å; G245-F260 VanDerWaalsContact N-CE1 3.28Å; F247-F260 HydrophobicContact CE1-CB 3.71Å; F247-F260 AromaticContact CE1-CD1 3.7Å; F247-F260 HydrophobicContact CE1-CD1 3.7Å; F247-F260 HydrophobicContact CE1-CE1 4.4Å; F247-F260 AromaticContact CE1-CG 3.74Å; F247-F260 HydrophobicContact CE1-CG 3.74Å; F247-F260 HydrophobicContact CZ-CB 4.36Å; F247-F260 HydrophobicContact CZ-CD1 4.05Å; F247-F260 HydrophobicContact CZ-CG 4.46Å; K256-F260 VanDerWaalsContact O-CB 3.23Å; K256-F260 WeakPolarHBondContact O-CB 3.3Å; K256-F260 PolarHBondContact O-N 2.92Å; M258-F260 VanDerWaalsContact C-N 3.31Å; M258-F260 PolarHBondContact O-N 3Å; F260-W264 VanDerWaalsContact O-CB 3.32Å; F260-W264 WeakPolarHBondContact O-CB 3.32Å; F260-W264 PolarHBondContact O-N 3.46Å
261	G	93.1	Very high	87.4	Confident	1 Å²	1	18.4 Å²	18.4	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-60.3	-49.2	172.2	0	0	0	0	0	112.6	K257 M258 I259 R263 W264 L265	K257-G261 PolarHBondContact O-N 3.45Å; K257-G261 VanDerWaalsContact O-N 3.07Å; M258-G261 PolarHBondContact O-N 3.49Å; I259-G261 VanDerWaalsContact C-N 3.32Å; I259-G261 PolarHBondContact O-N 3.38Å; G261-R263 PolarHBondContact O-N 3.43Å; G261-W264 PolarHBondContact O-N 2.96Å; G261-L265 VanDerWaalsContact O-CG 3.28Å; G261-L265 WeakPolarHBondContact O-CG 3.39Å; G261-L265 PolarHBondContact O-N 2.76Å
262	L	92.6	Very high	87.4	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-59.6	-44.6	178.6	-71.6	169.4	0	0	0	112.5	M258 I259 L265 S266 F278 V356 L359 A360	M258-L262 HydrophobicContact CG-CD1 4.35Å; M258-L262 WeakPolarHBondContact O-CG 3.42Å; M258-L262 PolarHBondContact O-N 3.48Å; I259-L262 PolarHBondContact O-N 3.34Å; L262-L265 PolarHBondContact O-N 3.45Å; L262-S266 VanDerWaalsContact O-CB 3.3Å; L262-S266 WeakPolarHBondContact O-CB 3.42Å; L262-S266 PolarHBondContact O-N 2.84Å; L262-F278 HydrophobicContact CD2-CZ 3.86Å; L262-V356 HydrophobicContact CD2-CG1 4.19Å; L262-V356 HydrophobicContact CD2-CG2 4.46Å; L262-L359 HydrophobicContact CD1-CB 4.13Å; L262-L359 HydrophobicContact CD2-CB 4.28Å; L262-L359 HydrophobicContact CD2-CD1 4.36Å; L262-A360 HydrophobicContact CB-CB 4.31Å
263	R	87.4	Confident	87.7	Confident	1 Å²	1	19.3 Å²	19.3	0%	0.004	10%	0.097	C	C	.	.	H	α-helix	trans	-67	-41.6	179.1	-71.7	174.1	173	-150.9	3.5	111.7	L100 N128 I259 G261 S266 A267 A360	L100-R263 HydrophobicContact CD2-CB 3.74Å; L100-R263 WeakPolarHBondContact O-CD 3.29Å; L100-R263 PolarHBondContact O-NH1 3.4Å; N128-R263 VanDerWaalsContact OD1-CZ 3.25Å; N128-R263 PolarHBondContact OD1-NH1 3.29Å; N128-R263 PolarHBondContact OD1-NH2 3.01Å; I259-R263 HydrophobicContact CG2-CG 4.13Å; I259-R263 VanDerWaalsContact CG2-NE 3.33Å; I259-R263 WeakPolarHBondContact O-CB 3.35Å; I259-R263 WeakPolarHBondContact O-CG 3.27Å; I259-R263 PolarHBondContact O-N 2.82Å; G261-R263 PolarHBondContact O-N 3.43Å; R263-S266 PolarHBondContact O-N 3.13Å; R263-A267 WeakPolarHBondContact O-CB 3.41Å; R263-A267 PolarHBondContact O-N 3.16Å; R263-A360 HydrophobicContact CG-CB 4.35Å
264	W	88.7	Confident	87.9	Confident	4 Å²	4	18.1 Å²	18.1	2%	0.015	9%	0.091	C	C	.	.	H	α-helix	trans	-62.6	-46.2	175.4	172.5	76	0	0	0	111.6	L100 P137 V140 C141 V187 L243 F260 G261 S266 A267 F268	L100-W264 HydrophobicContact CD2-CB 4.25Å; P137-W264 HydrophobicContact CG-CH2 4.36Å; P137-W264 HydrophobicContact CG-CZ2 3.88Å; V140-W264 HydrophobicContact CB-CH2 4.25Å; V140-W264 HydrophobicContact CB-CZ2 4.45Å; V140-W264 HydrophobicContact CG1-CH2 3.67Å; V140-W264 HydrophobicContact CG1-CZ2 4.29Å; C141-W264 HydrophobicContact CB-CH2 4.4Å; C141-W264 HydrophobicContact CB-CZ2 4.09Å; V187-W264 HydrophobicContact CB-CH2 4.32Å; V187-W264 HydrophobicContact CG1-CH2 3.96Å; V187-W264 HydrophobicContact CG1-CZ3 3.76Å; V187-W264 HydrophobicContact CG2-CH2 4.26Å; L243-W264 HydrophobicContact CD1-CD2 4.09Å; L243-W264 HydrophobicContact CD1-CG 3.86Å; L243-W264 HydrophobicContact CD2-CB 3.86Å; L243-W264 HydrophobicContact CD2-CD2 3.49Å; L243-W264 VanDerWaalsContact CD2-CD2 3.49Å; L243-W264 HydrophobicContact CD2-CE3 3.62Å; L243-W264 HydrophobicContact CD2-CG 3.59Å; L243-W264 HydrophobicContact CD2-CZ3 4.35Å; L243-W264 HydrophobicContact CG-CD2 4.4Å; L243-W264 HydrophobicContact CG-CG 4.39Å; F260-W264 VanDerWaalsContact O-CB 3.32Å; F260-W264 WeakPolarHBondContact O-CB 3.32Å; F260-W264 PolarHBondContact O-N 3.46Å; G261-W264 PolarHBondContact O-N 2.96Å; W264-S266 PolarHBondContact O-N 3.45Å; W264-A267 PolarHBondContact O-N 3.42Å; W264-F268 HydrophobicContact CB-CD2 4.49Å; W264-F268 AromaticContact CD1-CD2 3.4Å; W264-F268 VanDerWaalsContact CD1-CD2 3.4Å; W264-F268 HydrophobicContact CG-CD2 4.13Å; W264-F268 VanDerWaalsContact O-CD2 3.31Å; W264-F268 WeakPolarHBondContact O-CD2 3.35Å; W264-F268 PolarHBondContact O-N 3.1Å
265	L	91	Very high	88.1	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.7	-48.4	174.6	-68.3	175.7	0	0	0	111.7	I153 I155 G261 L262 A267 C269 Y276 F278 V356	I153-L265 HydrophobicContact CG2-CD2 4.43Å; I155-L265 HydrophobicContact CD1-CD1 3.72Å; I155-L265 HydrophobicContact CD1-CD2 4.14Å; I155-L265 HydrophobicContact CD1-CG 4.47Å; I155-L265 HydrophobicContact CG1-CD1 4.01Å; I155-L265 HydrophobicContact CG1-CD2 4.18Å; I155-L265 HydrophobicContact CG1-CG 4.44Å; G261-L265 VanDerWaalsContact O-CG 3.28Å; G261-L265 WeakPolarHBondContact O-CG 3.39Å; G261-L265 PolarHBondContact O-N 2.76Å; L262-L265 PolarHBondContact O-N 3.45Å; L265-A267 VanDerWaalsContact C-N 3.29Å; L265-A267 PolarHBondContact O-N 2.87Å; L265-C269 WeakPolarHBondContact CD2-SG 3.4Å; L265-C269 VanDerWaalsContact O-CB 3.3Å; L265-C269 WeakPolarHBondContact O-CB 3.44Å; L265-C269 PolarHBondContact O-N 3.28Å; L265-C269 VanDerWaalsContact O-N 3.13Å; L265-Y276 HydrophobicContact CD1-CD1 3.89Å; L265-Y276 HydrophobicContact CD1-CD2 4.47Å; L265-Y276 HydrophobicContact CD1-CE1 4.41Å; L265-Y276 HydrophobicContact CD1-CG 3.93Å; L265-Y276 HydrophobicContact CD2-CD1 3.62Å; L265-Y276 HydrophobicContact CD2-CE1 3.56Å; L265-Y276 HydrophobicContact CD2-CG 4.47Å; L265-Y276 HydrophobicContact CG-CD1 4.31Å; L265-Y276 HydrophobicContact CG-CE1 4.4Å; L265-F278 HydrophobicContact CD1-CE1 4.31Å; L265-F278 HydrophobicContact CD1-CE2 4.27Å; L265-F278 HydrophobicContact CD1-CZ 3.57Å; L265-V356 HydrophobicContact CB-CG1 3.63Å; L265-V356 HydrophobicContact CD1-CG1 4.06Å; L265-V356 HydrophobicContact CD1-CG2 4.42Å
266	S	85.7	Confident	88.4	Confident	17 Å²	17	17.1 Å²	17.1	12%	0.119	9%	0.086	C	C	.	.	H	α-helix	trans	-62.8	-34.4	-178.9	179.9	0	0	0	0	113.3	L262 R263 W264 H357	L262-S266 VanDerWaalsContact O-CB 3.3Å; L262-S266 WeakPolarHBondContact O-CB 3.42Å; L262-S266 PolarHBondContact O-N 2.84Å; R263-S266 PolarHBondContact O-N 3.13Å; W264-S266 PolarHBondContact O-N 3.45Å; S266-H357 WeakPolarHBondContact CA-ND1 3.25Å; S266-H357 PolarHBondContact O-CE1 3.42Å; S266-H357 VanDerWaalsContact O-CE1 3.29Å; S266-H357 PolarHBondContact O-ND1 2.99Å; S266-H357 PolarHBondContact OG-ND1 3.5Å
267	A	77.4	Confident	88.8	Confident	26 Å²	26	15.4 Å²	15.4	22%	0.215	8%	0.078	C	C	.	.	H	α-helix	trans	-89.6	-32.9	-173.2	0	0	0	0	0	113.4	A99 R263 W264 L265	A99-A267 HydrophobicContact CB-CB 3.95Å; R263-A267 WeakPolarHBondContact O-CB 3.41Å; R263-A267 PolarHBondContact O-N 3.16Å; W264-A267 PolarHBondContact O-N 3.42Å; L265-A267 VanDerWaalsContact C-N 3.29Å; L265-A267 PolarHBondContact O-N 2.87Å
268	F	78.3	Confident	89	Confident	28 Å²	28	15.3 Å²	15.3	12%	0.123	8%	0.078	C	C	.	.	H	α-helix	trans	-121.2	-23.8	-167.1	-57.2	-67.5	0	0	0	114.6	I39 F96 A99 L100 W264	I39-F268 HydrophobicContact CD1-CD1 3.39Å; I39-F268 HydrophobicContact CD1-CE1 3.51Å; F96-F268 HydrophobicContact CB-CE1 4.35Å; F96-F268 HydrophobicContact CB-CZ 4.14Å; F96-F268 HydrophobicContact CD1-CE2 4.29Å; F96-F268 AromaticContact CD1-CZ 3.92Å; F96-F268 HydrophobicContact CD1-CZ 3.92Å; F96-F268 AromaticContact CD2-CD1 3.86Å; F96-F268 HydrophobicContact CD2-CD1 3.86Å; F96-F268 HydrophobicContact CD2-CD2 4.27Å; F96-F268 AromaticContact CD2-CE1 3.13Å; F96-F268 HydrophobicContact CD2-CE1 3.13Å; F96-F268 AromaticContact CD2-CE2 3.63Å; F96-F268 HydrophobicContact CD2-CE2 3.63Å; F96-F268 HydrophobicContact CD2-CG 4.38Å; F96-F268 AromaticContact CD2-CZ 3Å; F96-F268 HydrophobicContact CD2-CZ 3Å; F96-F268 AromaticContact CE1-CE2 3.82Å; F96-F268 HydrophobicContact CE1-CE2 3.82Å; F96-F268 AromaticContact CE1-CZ 3.93Å; F96-F268 HydrophobicContact CE1-CZ 3.93Å; F96-F268 AromaticContact CE2-CD1 3.76Å; F96-F268 HydrophobicContact CE2-CD1 3.76Å; F96-F268 AromaticContact CE2-CD2 3.51Å; F96-F268 HydrophobicContact CE2-CD2 3.51Å; F96-F268 AromaticContact CE2-CE1 3.4Å; F96-F268 HydrophobicContact CE2-CE1 3.4Å; F96-F268 AromaticContact CE2-CE2 3.12Å; F96-F268 HydrophobicContact CE2-CE2 3.12Å; F96-F268 AromaticContact CE2-CG 3.82Å; F96-F268 HydrophobicContact CE2-CG 3.82Å; F96-F268 AromaticContact CE2-CZ 3.07Å; F96-F268 HydrophobicContact CE2-CZ 3.07Å; F96-F268 AromaticContact CG-CE1 3.89Å; F96-F268 HydrophobicContact CG-CE1 3.89Å; F96-F268 HydrophobicContact CG-CE2 4.17Å; F96-F268 AromaticContact CG-CZ 3.44Å; F96-F268 HydrophobicContact CG-CZ 3.44Å; F96-F268 VanDerWaalsContact CG-CZ 3.44Å; F96-F268 AromaticContact CZ-CD2 3.78Å; F96-F268 HydrophobicContact CZ-CD2 3.78Å; F96-F268 HydrophobicContact CZ-CE1 4.3Å; F96-F268 AromaticContact CZ-CE2 3.21Å; F96-F268 HydrophobicContact CZ-CE2 3.21Å; F96-F268 AromaticContact CZ-CZ 3.54Å; F96-F268 HydrophobicContact CZ-CZ 3.54Å; F96-F268 WeakPolarHBondContact O-CZ 3.4Å; A99-F268 HydrophobicContact CB-CE1 4.36Å; A99-F268 HydrophobicContact CB-CZ 3.99Å; L100-F268 HydrophobicContact CD2-CE2 3.88Å; L100-F268 HydrophobicContact CG-CE2 4.03Å; W264-F268 HydrophobicContact CB-CD2 4.49Å; W264-F268 AromaticContact CD1-CD2 3.4Å; W264-F268 VanDerWaalsContact CD1-CD2 3.4Å; W264-F268 HydrophobicContact CG-CD2 4.13Å; W264-F268 VanDerWaalsContact O-CD2 3.31Å; W264-F268 WeakPolarHBondContact O-CD2 3.35Å; W264-F268 PolarHBondContact O-N 3.1Å
269	C	83.3	Confident	89.1	Confident	8 Å²	8	15.1 Å²	15.1	5%	0.054	8%	0.077	C	C	.	.	S	Bend	trans	-79.9	133.4	-178.6	-57.8	0	0	0	0	110.8	C141 L265 K271 Y276	C141-C269 HydrophobicContact CB-CB 3.86Å; C141-C269 WeakPolarHBondContact CB-SG 3.42Å; C141-C269 WeakPolarHBondContact SG-CB 3.47Å; C141-C269 CovalentContact SG-SG 2.02Å; C141-C269 PolarHBondContact SG-SG 3.3Å; L265-C269 WeakPolarHBondContact CD2-SG 3.4Å; L265-C269 VanDerWaalsContact O-CB 3.3Å; L265-C269 WeakPolarHBondContact O-CB 3.44Å; L265-C269 PolarHBondContact O-N 3.28Å; L265-C269 VanDerWaalsContact O-N 3.13Å; C269-K271 PolarHBondContact O-N 2.74Å; C269-Y276 HydrophobicContact CB-CE1 4.27Å; C269-Y276 VanDerWaalsContact CB-OH 3.25Å; C269-Y276 WeakPolarHBondContact CB-OH 3.5Å
270	P	77.2	Confident	89.3	Confident	7 Å²	7	17 Å²	17	5%	0.045	9%	0.087	C	C	.	.			trans	-59.1	139.6	-178.6	-30.6	41.1	0	0	0	112	R142 Y144 Q272 V273	R142-P270 WeakPolarHBondContact O-CG 3.31Å; Y144-P270 HydrophobicContact CD2-CB 4.08Å; Y144-P270 HydrophobicContact CD2-CG 3.59Å; Y144-P270 HydrophobicContact CE2-CB 4.21Å; Y144-P270 HydrophobicContact CE2-CG 3.53Å; P270-Q272 VanDerWaalsContact CB-OE1 3.23Å; P270-Q272 PolarHBondContact O-N 3.15Å; P270-V273 PolarHBondContact O-N 3.23Å
271	K	75.5	Confident	89.5	Confident	101 Å²	101	17.4 Å²	17.4	44%	0.439	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-20.9	-179.4	-66.9	-173.6	177	-176	0	112.9	N107 C269 V273 R303	N107-K271 WeakPolarHBondContact OD1-CE 3.3Å; N107-K271 PolarHBondContact OD1-NZ 3.35Å; C269-K271 PolarHBondContact O-N 2.74Å; K271-V273 VanDerWaalsContact C-N 3.33Å; K271-R303 VanDerWaalsContact O-CZ 3.26Å; K271-R303 PolarHBondContact O-NH1 3.19Å; K271-R303 PolarHBondContact O-NH2 2.88Å
272	Q	83.5	Confident	89.5	Confident	106 Å²	106	19.3 Å²	19.3	50%	0.495	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-21.4	-179.5	-60	80.1	1	0	0	113.2	I149 P270 P274	I149-Q272 HydrophobicContact CD1-CB 3.53Å; I149-Q272 HydrophobicContact CD1-CG 3.9Å; I149-Q272 HydrophobicContact CG1-CB 4.03Å; I149-Q272 HydrophobicContact CG2-CB 3.89Å; P270-Q272 VanDerWaalsContact CB-OE1 3.23Å; P270-Q272 PolarHBondContact O-N 3.15Å; Q272-P274 WeakPolarHBondContact O-CD 3.37Å
273	V	90.9	Very high	89.6	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.			trans	-66.1	120.9	175.2	-179.3	0	0	0	0	108.5	Y144 I149 P150 I153 P270 K271 Y276 A353	Y144-V273 HydrophobicContact CE2-CG2 4.46Å; I149-V273 HydrophobicContact CG2-CG2 4.05Å; P150-V273 HydrophobicContact CG-CG1 4.47Å; P150-V273 HydrophobicContact CG-CG2 3.76Å; I153-V273 HydrophobicContact CD1-CG1 4.03Å; I153-V273 HydrophobicContact CD1-CG2 4.15Å; I153-V273 HydrophobicContact CG1-CG1 3.93Å; P270-V273 PolarHBondContact O-N 3.23Å; K271-V273 VanDerWaalsContact C-N 3.33Å; V273-Y276 HydrophobicContact CB-CE1 4.45Å; V273-Y276 HydrophobicContact CG1-CE1 3.8Å; V273-A353 WeakPolarHBondContact O-CB 3.28Å
274	P	93.8	Very high	90	Very high	4 Å²	4	20.3 Å²	20.3	3%	0.026	10%	0.103	C	C	.	.			trans	-87.2	-28.9	-169.4	29.5	-31	0	0	0	113.7	Q272 Y294 E299 R303 A353	Q272-P274 WeakPolarHBondContact O-CD 3.37Å; P274-Y294 HydrophobicContact CG-CE2 4.05Å; P274-Y294 VanDerWaalsContact CG-OH 3.22Å; P274-Y294 WeakPolarHBondContact CG-OH 2.95Å; P274-E299 HydrophobicContact CB-CG 3.94Å; P274-R303 HydrophobicContact CB-CG 3.72Å; P274-R303 WeakPolarHBondContact O-CA 3.42Å; P274-A353 PolarHBondContact O-N 3.15Å
275	L	97.3	Very high	90.4	Very high	6 Å²	6	20.1 Å²	20.1	3%	0.031	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.2	-166.4	-160.9	66.8	0	0	0	112.9	L152 I153 F293 Y294 L302 M305 I350	L152-L275 HydrophobicContact CD1-CB 4.14Å; L152-L275 HydrophobicContact CD1-CD2 4.12Å; L152-L275 HydrophobicContact CD1-CG 4.08Å; L152-L275 WeakPolarHBondContact CD1-O 3.11Å; I153-L275 PolarHBondContact N-O 3.26Å; L275-F293 HydrophobicContact CD2-CE1 4.49Å; L275-Y294 HydrophobicContact CB-CE2 4.45Å; L275-Y294 HydrophobicContact CD2-CD2 4.07Å; L275-L302 HydrophobicContact CD1-CB 4.3Å; L275-L302 HydrophobicContact CD1-CD2 4.32Å; L275-L302 WeakPolarHBondContact CD1-O 2.99Å; L275-L302 HydrophobicContact CD2-CD2 4.07Å; L275-M305 HydrophobicContact CD1-CG 4.17Å; L275-M305 HydrophobicContact CD1-SD 4.02Å; L275-I350 HydrophobicContact CD1-CG2 3.35Å; L275-I350 HydrophobicContact CD2-CG2 3.96Å; L275-I350 HydrophobicContact CG-CG2 3.7Å
276	Y	98	Very high	90.6	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.4	173.9	-58.8	-73	0	0	0	110.3	I153 I155 L265 C269 V273 I350 I351 A353 V356	I153-Y276 HydrophobicContact CB-CD1 3.82Å; I153-Y276 HydrophobicContact CB-CE1 3.97Å; I153-Y276 HydrophobicContact CD1-CE1 4.16Å; I153-Y276 HydrophobicContact CG1-CE1 4.35Å; I153-Y276 HydrophobicContact CG2-CD1 4.39Å; I153-Y276 WeakPolarHBondContact O-CA 3.4Å; I155-Y276 HydrophobicContact CD1-CD1 4.14Å; I155-Y276 HydrophobicContact CD1-CG 4.46Å; L265-Y276 HydrophobicContact CD1-CD1 3.89Å; L265-Y276 HydrophobicContact CD1-CD2 4.47Å; L265-Y276 HydrophobicContact CD1-CE1 4.41Å; L265-Y276 HydrophobicContact CD1-CG 3.93Å; L265-Y276 HydrophobicContact CD2-CD1 3.62Å; L265-Y276 HydrophobicContact CD2-CE1 3.56Å; L265-Y276 HydrophobicContact CD2-CG 4.47Å; L265-Y276 HydrophobicContact CG-CD1 4.31Å; L265-Y276 HydrophobicContact CG-CE1 4.4Å; C269-Y276 HydrophobicContact CB-CE1 4.27Å; C269-Y276 VanDerWaalsContact CB-OH 3.25Å; C269-Y276 WeakPolarHBondContact CB-OH 3.5Å; V273-Y276 HydrophobicContact CB-CE1 4.45Å; V273-Y276 HydrophobicContact CG1-CE1 3.8Å; Y276-I350 WeakPolarHBondContact O-CA 3.3Å; Y276-I351 WeakPolarHBondContact CB-O 3Å; Y276-I351 PolarHBondContact N-O 3.5Å; Y276-I351 PolarHBondContact O-N 3.31Å; Y276-A353 HydrophobicContact CD2-CB 4.3Å; Y276-A353 HydrophobicContact CE2-CB 3.69Å; Y276-V356 HydrophobicContact CD2-CB 4.24Å; Y276-V356 HydrophobicContact CD2-CG2 3.46Å; Y276-V356 VanDerWaalsContact CD2-CG2 3.46Å; Y276-V356 HydrophobicContact CE2-CB 4.39Å; Y276-V356 HydrophobicContact CE2-CG2 4.1Å; Y276-V356 HydrophobicContact CG-CG2 4.17Å
277	L	98.2	Very high	91	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.4	176.3	-176.9	158.5	0	0	0	109.8	L152 I153 V154 I155 I279 L285 T348 I350 I407	L152-L277 HydrophobicContact CD1-CB 3.85Å; I153-L277 PolarHBondContact O-N 3.06Å; V154-L277 CarbonylContact C-O 3.42Å; V154-L277 WeakPolarHBondContact CA-O 3.48Å; V154-L277 HydrophobicContact CG1-CD2 4.03Å; V154-L277 HydrophobicContact CG2-CB 4.47Å; I155-L277 PolarHBondContact N-O 3.47Å; L277-I279 HydrophobicContact CD2-CB 3.88Å; L277-I279 HydrophobicContact CD2-CG2 4.06Å; L277-L285 HydrophobicContact CD1-CD1 4.35Å; L277-L285 HydrophobicContact CD1-CD2 3.86Å; L277-L285 HydrophobicContact CD2-CD1 4.08Å; L277-L285 HydrophobicContact CD2-CD2 3.87Å; L277-L285 HydrophobicContact CD2-CG 4.49Å; L277-T348 HydrophobicContact CD2-CG2 4.14Å; L277-T348 HydrophobicContact CG-CG2 4.44Å; L277-I350 HydrophobicContact CB-CG1 4.41Å; L277-I350 HydrophobicContact CD1-CD1 4.29Å; L277-I350 HydrophobicContact CD1-CG1 4.05Å; L277-I350 HydrophobicContact CG-CG1 4.09Å; L277-I407 HydrophobicContact CD1-CD1 4.1Å
278	F	98.2	Very high	91.7	Very high	3 Å²	3	25.2 Å²	25.2	1%	0.013	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.2	176.8	-64.9	-102.8	0	0	0	109.7	I155 L262 L265 T348 Y349 I351	I155-F278 HydrophobicContact CB-CD1 3.8Å; I155-F278 HydrophobicContact CB-CE1 4Å; I155-F278 HydrophobicContact CB-CG 4.3Å; I155-F278 HydrophobicContact CD1-CD2 4.44Å; I155-F278 HydrophobicContact CD1-CE1 4.31Å; I155-F278 HydrophobicContact CD1-CE2 4.18Å; I155-F278 HydrophobicContact CD1-CZ 4.12Å; I155-F278 HydrophobicContact CG1-CD1 4.44Å; I155-F278 HydrophobicContact CG1-CE1 4.19Å; I155-F278 HydrophobicContact CG1-CZ 4.44Å; I155-F278 HydrophobicContact CG2-CD1 3.85Å; I155-F278 HydrophobicContact CG2-CE1 3.93Å; I155-F278 WeakPolarHBondContact O-CA 3.49Å; L262-F278 HydrophobicContact CD2-CZ 3.86Å; L265-F278 HydrophobicContact CD1-CE1 4.31Å; L265-F278 HydrophobicContact CD1-CE2 4.27Å; L265-F278 HydrophobicContact CD1-CZ 3.57Å; F278-T348 CarbonylContact O-C 3.54Å; F278-T348 VanDerWaalsContact O-CA 3.24Å; F278-T348 WeakPolarHBondContact O-CA 3.35Å; F278-Y349 HydrophobicContact CB-CD1 4.24Å; F278-Y349 HydrophobicContact CB-CD2 3.84Å; F278-Y349 HydrophobicContact CB-CE1 3.79Å; F278-Y349 HydrophobicContact CB-CE2 3.35Å; F278-Y349 HydrophobicContact CB-CG 4.26Å; F278-Y349 HydrophobicContact CD1-CE2 4.06Å; F278-Y349 AromaticContact CD2-CD2 3.89Å; F278-Y349 HydrophobicContact CD2-CD2 3.89Å; F278-Y349 AromaticContact CD2-CE2 3.38Å; F278-Y349 HydrophobicContact CD2-CE2 3.38Å; F278-Y349 HydrophobicContact CE2-CE2 4.17Å; F278-Y349 HydrophobicContact CG-CD2 4.09Å; F278-Y349 AromaticContact CG-CE2 3.32Å; F278-Y349 HydrophobicContact CG-CE2 3.32Å; F278-Y349 AromaticContact CG-CZ 3.58Å; F278-Y349 PolarHBondContact N-O 3.05Å; F278-Y349 PolarHBondContact O-N 3.36Å; F278-I351 HydrophobicContact CD2-CD1 4.23Å; F278-I351 HydrophobicContact CD2-CG1 4.3Å; F278-I351 HydrophobicContact CE2-CB 4.28Å; F278-I351 HydrophobicContact CE2-CD1 3.91Å; F278-I351 HydrophobicContact CE2-CG1 4.16Å
279	I	97.7	Very high	92.6	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	147.9	-177.1	-172.9	164.2	0	0	0	111.7	V154 I155 I156 K157 L277 L285 L347	V154-I279 HydrophobicContact CG1-CG2 3.84Å; I155-I279 PolarHBondContact O-N 3.43Å; I156-I279 CarbonylContact C-O 3.39Å; I156-I279 VanDerWaalsContact CA-O 3.29Å; I156-I279 WeakPolarHBondContact CA-O 3.48Å; I156-I279 HydrophobicContact CB-CG2 4.29Å; I156-I279 HydrophobicContact CG1-CG2 3.81Å; I156-I279 HydrophobicContact CG2-CG2 4.29Å; K157-I279 PolarHBondContact N-O 3.11Å; L277-I279 HydrophobicContact CD2-CB 3.88Å; L277-I279 HydrophobicContact CD2-CG2 4.06Å; I279-L285 HydrophobicContact CD1-CD2 3.67Å; I279-L285 HydrophobicContact CD1-CG 3.88Å; I279-L347 WeakPolarHBondContact CA-O 3.42Å
280	D	96	Very high	93.2	Very high	40 Å²	40	24.9 Å²	24.9	21%	0.214	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	149.8	171.7	-76.7	-14.4	0	0	0	112.2	K157 D282 Y283 L347	K157-D280 WeakPolarHBondContact CE-OD1 3.4Å; K157-D280 IonicContact NZ-OD1 3.18Å; K157-D280 PolarHBondContact NZ-OD1 2.92Å; K157-D280 VanDerWaalsContact NZ-OD1 3.08Å; D280-D282 WeakPolarHBondContact CB-OD1 3.33Å; D280-D282 PolarHBondContact O-N 3.49Å; D280-Y283 HydrophobicContact CB-CD2 4.35Å; D280-Y283 PolarHBondContact O-N 3.31Å; D280-L347 PolarHBondContact N-O 3.29Å; D280-L347 VanDerWaalsContact N-O 3.08Å
281	D	94.8	Very high	94.2	Very high	8 Å²	8	25.7 Å²	25.7	4%	0.043	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-8.3	-176.7	67.1	13.9	0	0	0	116.1	I156 K157 S158 S159 N162 K165 R168	I156-D281 HydrophobicContact CG2-CB 4.17Å; K157-D281 WeakPolarHBondContact O-CB 2.95Å; K157-D281 PolarHBondContact O-N 3.36Å; S158-D281 VanDerWaalsContact CA-OD2 3.23Å; S158-D281 WeakPolarHBondContact CA-OD2 3.19Å; S158-D281 WeakPolarHBondContact CB-OD2 3.46Å; S158-D281 PolarHBondContact OG-OD2 3.33Å; S159-D281 PolarHBondContact N-OD2 3.05Å; N162-D281 WeakPolarHBondContact CB-OD2 3.39Å; N162-D281 PolarHBondContact ND2-OD1 3.41Å; N162-D281 PolarHBondContact ND2-OD2 3.46Å; K165-D281 HydrophobicContact CB-CB 4.18Å; K165-D281 HydrophobicContact CD-CB 4.18Å; K165-D281 VanDerWaalsContact CD-CG 3.41Å; K165-D281 WeakPolarHBondContact CD-OD1 3.47Å; K165-D281 IonicContact NZ-OD1 2.72Å; K165-D281 PolarHBondContact NZ-OD1 2.7Å; R168-D281 PolarHBondContact NH2-O 3.09Å
282	D	93.4	Very high	95.2	Very high	41 Å²	41	23.9 Å²	23.9	22%	0.219	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	3.7	173.8	57.9	6.1	0	0	0	114.8	D280 Y411	D280-D282 WeakPolarHBondContact CB-OD1 3.33Å; D280-D282 PolarHBondContact O-N 3.49Å; D282-Y411 HydrophobicContact CB-CD1 4Å; D282-Y411 HydrophobicContact CB-CE1 4.37Å; D282-Y411 WeakPolarHBondContact O-CD1 3.3Å; D282-Y411 PolarHBondContact O-N 2.8Å
283	Y	96.3	Very high	95.8	Very high	24 Å²	24	20.1 Å²	20.1	9%	0.094	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	157.5	167.8	-70.8	-98.7	0	0	0	111.3	R168 D280 L347 P395 N408 V409 H410	R168-Y283 PolarHBondContact NH2-O 2.66Å; D280-Y283 HydrophobicContact CB-CD2 4.35Å; D280-Y283 PolarHBondContact O-N 3.31Å; Y283-L347 HydrophobicContact CD2-CB 4.15Å; Y283-L347 HydrophobicContact CE1-CD1 4.23Å; Y283-L347 HydrophobicContact CE2-CB 3.67Å; Y283-P395 PolarHBondContact OH-O 2.98Å; Y283-N408 WeakPolarHBondContact CD1-ND2 3.36Å; Y283-V409 CarbonylContact C-O 3.51Å; Y283-V409 WeakPolarHBondContact CA-O 3.46Å; Y283-H410 HydrophobicContact CD1-CB 4.19Å; Y283-H410 HydrophobicContact CE1-CB 3.91Å
284	D	95.3	Very high	96.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	146.5	170.6	-67.7	-34.7	0	0	0	110.6	R168 F173 N408 V409 S414 W420	R168-D284 IonicContact CZ-OD1 3.4Å; R168-D284 IonicContact CZ-OD2 2.73Å; R168-D284 IonicContact NH1-OD1 3.08Å; R168-D284 PolarHBondContact NH1-OD1 3.42Å; R168-D284 IonicContact NH1-OD2 3.64Å; R168-D284 PolarHBondContact NH1-OD2 3.01Å; R168-D284 IonicContact NH2-OD1 2.8Å; R168-D284 PolarHBondContact NH2-OD1 3.03Å; F173-D284 HydrophobicContact CD1-CB 3.77Å; F173-D284 WeakPolarHBondContact CD1-OD1 3.41Å; F173-D284 HydrophobicContact CE1-CB 4.32Å; F173-D284 WeakPolarHBondContact CE1-OD1 3.35Å; F173-D284 HydrophobicContact CG-CB 4.4Å; D284-N408 CarbonylContact O-C 3.44Å; D284-N408 WeakPolarHBondContact O-CA 3.45Å; D284-V409 HydrophobicContact CB-CG1 4.04Å; D284-V409 PolarHBondContact N-O 2.71Å; D284-V409 PolarHBondContact O-N 3.44Å; D284-S414 VanDerWaalsContact OD2-CB 3.24Å; D284-S414 WeakPolarHBondContact OD2-CB 3.49Å; D284-S414 PolarHBondContact OD2-OG 2.97Å; D284-W420 HydrophobicContact CB-CH2 3.75Å; D284-W420 HydrophobicContact CB-CZ2 3.83Å
285	L	96.5	Very high	96.3	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	146.7	167	-64.6	176	0	0	0	110.9	V154 F173 W179 F186 L277 I279 P287 V290 I407 W420	V154-L285 HydrophobicContact CG1-CD1 3.91Å; V154-L285 HydrophobicContact CG2-CD1 3.88Å; F173-L285 HydrophobicContact CB-CB 4.26Å; F173-L285 VanDerWaalsContact CB-O 3.22Å; F173-L285 WeakPolarHBondContact CB-O 3.25Å; F173-L285 HydrophobicContact CD2-CB 3.77Å; F173-L285 HydrophobicContact CD2-CD1 4.1Å; F173-L285 HydrophobicContact CD2-CG 4.03Å; F173-L285 HydrophobicContact CE2-CB 4.41Å; F173-L285 HydrophobicContact CE2-CD1 4.16Å; F173-L285 HydrophobicContact CE2-CG 4.17Å; F173-L285 HydrophobicContact CG-CB 4.17Å; W179-L285 HydrophobicContact CH2-CB 4.49Å; W179-L285 HydrophobicContact CH2-CD1 4.28Å; W179-L285 HydrophobicContact CZ2-CB 4.43Å; W179-L285 HydrophobicContact CZ2-CD1 4.42Å; F186-L285 HydrophobicContact CE1-CD1 4.39Å; L277-L285 HydrophobicContact CD1-CD1 4.35Å; L277-L285 HydrophobicContact CD1-CD2 3.86Å; L277-L285 HydrophobicContact CD2-CD1 4.08Å; L277-L285 HydrophobicContact CD2-CD2 3.87Å; L277-L285 HydrophobicContact CD2-CG 4.49Å; I279-L285 HydrophobicContact CD1-CD2 3.67Å; I279-L285 HydrophobicContact CD1-CG 3.88Å; L285-P287 VanDerWaalsContact O-CD 3.31Å; L285-P287 WeakPolarHBondContact O-CD 3.48Å; L285-V290 HydrophobicContact CB-CG2 4.36Å; L285-V290 HydrophobicContact CD2-CG2 4.27Å; L285-I407 CarbonylContact C-O 3.47Å; L285-I407 VanDerWaalsContact CA-O 3.29Å; L285-I407 WeakPolarHBondContact CA-O 3.36Å; L285-W420 WeakPolarHBondContact O-CH2 3.29Å
286	V	94.8	Very high	96.3	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.03	16%	0.157	C	C	.	.			trans	-98.9	98.2	169.5	-178.4	0	0	0	0	107.4	K288 N289 V290 I402 I407 V409 M418	V286-K288 VanDerWaalsContact C-N 3.34Å; V286-K288 PolarHBondContact O-N 3.28Å; V286-N289 HydrophobicContact CB-CB 4.28Å; V286-N289 HydrophobicContact CG1-CB 4.14Å; V286-N289 PolarHBondContact O-N 2.94Å; V286-V290 PolarHBondContact O-N 3Å; V286-V290 VanDerWaalsContact O-N 3.16Å; V286-I402 HydrophobicContact CG1-CG2 4.08Å; V286-I402 HydrophobicContact CG2-CD1 4.17Å; V286-I402 HydrophobicContact CG2-CG2 3.84Å; V286-I407 PolarHBondContact N-O 3.46Å; V286-V409 HydrophobicContact CG2-CG1 3.99Å; V286-M418 HydrophobicContact CG1-CE 4.11Å; V286-M418 HydrophobicContact CG2-CE 4.47Å
287	P	94.6	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-55.9	-44.9	-166	-31.1	40.1	0	0	0	113.6	L178 W179 L285 N289 V290 I291	L178-P287 HydrophobicContact CB-CB 4.2Å; L178-P287 HydrophobicContact CB-CG 3.87Å; L178-P287 HydrophobicContact CD1-CG 4.43Å; L178-P287 WeakPolarHBondContact O-CB 2.88Å; W179-P287 HydrophobicContact CD2-CB 3.81Å; W179-P287 HydrophobicContact CD2-CG 4.42Å; W179-P287 HydrophobicContact CE3-CB 4.05Å; W179-P287 HydrophobicContact CG-CB 4.42Å; W179-P287 HydrophobicContact CH2-CB 4.11Å; W179-P287 HydrophobicContact CH2-CG 4.46Å; W179-P287 HydrophobicContact CZ2-CB 3.82Å; W179-P287 HydrophobicContact CZ2-CG 3.81Å; W179-P287 HydrophobicContact CZ3-CB 4.2Å; L285-P287 VanDerWaalsContact O-CD 3.31Å; L285-P287 WeakPolarHBondContact O-CD 3.48Å; P287-N289 VanDerWaalsContact C-N 3.29Å; P287-N289 PolarHBondContact O-N 2.85Å; P287-V290 PolarHBondContact O-N 3.31Å; P287-I291 VanDerWaalsContact O-CG1 3.26Å; P287-I291 WeakPolarHBondContact O-CG1 3.33Å; P287-I291 PolarHBondContact O-N 3.12Å
288	K	92.9	Very high	96.2	Very high	145 Å²	145	39.3 Å²	39.3	63%	0.63	20%	0.196	S	C	*	.	H	α-helix	trans	-54.5	-44.5	177.8	-174.9	179.5	179.3	-178.8	0	112.5	V286 I291 T292	V286-K288 VanDerWaalsContact C-N 3.34Å; V286-K288 PolarHBondContact O-N 3.28Å; K288-I291 PolarHBondContact O-N 2.84Å; K288-T292 PolarHBondContact O-N 3.49Å; K288-T292 PolarHBondContact O-OG1 2.64Å; K288-T292 VanDerWaalsContact O-OG1 3.05Å
289	N	95.5	Very high	96	Very high	23 Å²	23	44.3 Å²	44.3	12%	0.123	22%	0.22	C	C	.	.	H	α-helix	trans	-73.7	-34.8	-176.4	-66.9	-4.9	0	0	0	111.5	V286 P287 F293 I402 G405 G406 I407	V286-N289 HydrophobicContact CB-CB 4.28Å; V286-N289 HydrophobicContact CG1-CB 4.14Å; V286-N289 PolarHBondContact O-N 2.94Å; P287-N289 VanDerWaalsContact C-N 3.29Å; P287-N289 PolarHBondContact O-N 2.85Å; N289-F293 WeakPolarHBondContact O-CB 3.42Å; N289-F293 PolarHBondContact O-N 3.37Å; N289-I402 PolarHBondContact ND2-O 3.44Å; N289-G405 VanDerWaalsContact ND2-C 3.33Å; N289-G406 PolarHBondContact ND2-O 3.34Å; N289-I407 HydrophobicContact CB-CG2 3.92Å
290	V	97.4	Very high	95.8	Very high	6 Å²	6	49.5 Å²	49.5	4%	0.036	25%	0.248	C	C	.	.	H	α-helix	trans	-64.4	-44.4	173	177.8	0	0	0	0	110.7	L152 W179 L285 V286 P287 F293 Y294 I407	L152-V290 HydrophobicContact CD2-CG1 3.64Å; W179-V290 HydrophobicContact CH2-CB 3.91Å; W179-V290 HydrophobicContact CH2-CG1 3.94Å; W179-V290 HydrophobicContact CH2-CG2 4.15Å; W179-V290 HydrophobicContact CZ3-CB 3.81Å; W179-V290 HydrophobicContact CZ3-CG1 3.73Å; L285-V290 HydrophobicContact CB-CG2 4.36Å; L285-V290 HydrophobicContact CD2-CG2 4.27Å; V286-V290 PolarHBondContact O-N 3Å; V286-V290 VanDerWaalsContact O-N 3.16Å; P287-V290 PolarHBondContact O-N 3.31Å; V290-F293 PolarHBondContact O-N 3.48Å; V290-Y294 PolarHBondContact O-N 3.3Å; V290-I407 HydrophobicContact CG2-CB 3.86Å; V290-I407 HydrophobicContact CG2-CG2 4.01Å
291	I	97	Very high	95.9	Very high	23 Å²	23	52 Å²	52	12%	0.118	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-47.1	176.8	-68.1	168	0	0	0	110.8	W179 F182 P287 K288 F293 Y294 Y295	W179-I291 HydrophobicContact CE3-CD1 4.01Å; W179-I291 HydrophobicContact CE3-CG1 3.91Å; W179-I291 HydrophobicContact CZ3-CG1 4.21Å; F182-I291 HydrophobicContact CB-CD1 3.95Å; F182-I291 HydrophobicContact CB-CG1 3.91Å; F182-I291 HydrophobicContact CD1-CG1 4.09Å; F182-I291 HydrophobicContact CD2-CG1 3.98Å; F182-I291 HydrophobicContact CD2-CG2 4.39Å; F182-I291 HydrophobicContact CG-CD1 4.31Å; F182-I291 HydrophobicContact CG-CG1 3.72Å; P287-I291 VanDerWaalsContact O-CG1 3.26Å; P287-I291 WeakPolarHBondContact O-CG1 3.33Å; P287-I291 PolarHBondContact O-N 3.12Å; K288-I291 PolarHBondContact O-N 2.84Å; I291-F293 VanDerWaalsContact C-N 3.35Å; I291-F293 PolarHBondContact O-N 2.88Å; I291-Y294 PolarHBondContact O-N 3.26Å; I291-Y295 HydrophobicContact CG2-CD2 3.59Å; I291-Y295 HydrophobicContact CG2-CE2 3.62Å; I291-Y295 WeakPolarHBondContact O-CD2 2.99Å; I291-Y295 PolarHBondContact O-N 3.35Å
292	T	96.3	Very high	96	Very high	64 Å²	64	51.6 Å²	51.6	39%	0.393	25%	0.253	S	S	.	.	H	α-helix	trans	-61	-43.2	176	-61.8	0	0	0	0	111.7	K288 Y294 N296	K288-T292 PolarHBondContact O-N 3.49Å; K288-T292 PolarHBondContact O-OG1 2.64Å; K288-T292 VanDerWaalsContact O-OG1 3.05Å; T292-Y294 VanDerWaalsContact C-N 3.34Å; T292-Y294 PolarHBondContact O-N 3.38Å; T292-N296 VanDerWaalsContact O-CB 3.28Å; T292-N296 WeakPolarHBondContact O-CB 3.28Å; T292-N296 PolarHBondContact O-N 2.77Å; T292-N296 PolarHBondContact O-OD1 2.84Å
293	F	97.3	Very high	96.1	Very high	26 Å²	26	51.6 Å²	51.6	11%	0.114	25%	0.25	C	C	.	.	H	α-helix	trans	-59.6	-45.1	175.4	173.1	-100.3	0	0	0	111.7	L275 N289 V290 I291 N297 L302 M305 I350 L390 I392	L275-F293 HydrophobicContact CD2-CE1 4.49Å; N289-F293 WeakPolarHBondContact O-CB 3.42Å; N289-F293 PolarHBondContact O-N 3.37Å; V290-F293 PolarHBondContact O-N 3.48Å; I291-F293 VanDerWaalsContact C-N 3.35Å; I291-F293 PolarHBondContact O-N 2.88Å; F293-N297 PolarHBondContact O-ND2 3.44Å; F293-L302 HydrophobicContact CE1-CD2 4.27Å; F293-M305 HydrophobicContact CE1-CE 4.15Å; F293-M305 HydrophobicContact CE1-SD 4.06Å; F293-M305 HydrophobicContact CZ-CE 3.62Å; F293-M305 HydrophobicContact CZ-SD 3.79Å; F293-I350 HydrophobicContact CD1-CD1 4.2Å; F293-I350 HydrophobicContact CE1-CD1 3.77Å; F293-I350 HydrophobicContact CZ-CD1 4.36Å; F293-L390 HydrophobicContact CE2-CD1 4.47Å; F293-L390 HydrophobicContact CE2-CD2 4.39Å; F293-L390 HydrophobicContact CZ-CD1 4.25Å; F293-I392 HydrophobicContact CB-CD1 4Å; F293-I392 HydrophobicContact CD1-CD1 4.43Å; F293-I392 HydrophobicContact CD2-CD1 3.25Å; F293-I392 HydrophobicContact CE2-CD1 3.8Å; F293-I392 HydrophobicContact CG-CD1 3.61Å
294	Y	98	Very high	96	Very high	24 Å²	24	53.4 Å²	53.4	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-60.9	-53.3	179.3	-174.8	-81.2	0	0	0	111.7	H151 F182 P274 L275 V290 I291 T292 N296 N297 L302	H151-Y294 HydrophobicContact CB-CD2 4.48Å; H151-Y294 HydrophobicContact CB-CE1 4.26Å; H151-Y294 HydrophobicContact CB-CE2 3.86Å; H151-Y294 AromaticContact CD2-CE1 3.6Å; H151-Y294 AromaticContact CD2-CZ 3.75Å; H151-Y294 WeakPolarHBondContact O-CE2 3.3Å; F182-Y294 AromaticContact CE2-CD1 3.71Å; F182-Y294 HydrophobicContact CE2-CD1 3.71Å; F182-Y294 AromaticContact CE2-CD2 3.94Å; F182-Y294 HydrophobicContact CE2-CD2 3.94Å; F182-Y294 HydrophobicContact CE2-CE1 4.3Å; F182-Y294 HydrophobicContact CE2-CE2 4.48Å; F182-Y294 AromaticContact CE2-CG 3.52Å; F182-Y294 HydrophobicContact CE2-CG 3.52Å; F182-Y294 HydrophobicContact CZ-CD1 4.49Å; F182-Y294 AromaticContact CZ-CD2 3.9Å; F182-Y294 HydrophobicContact CZ-CD2 3.9Å; F182-Y294 HydrophobicContact CZ-CE2 4.48Å; F182-Y294 AromaticContact CZ-CG 3.91Å; F182-Y294 HydrophobicContact CZ-CG 3.91Å; P274-Y294 HydrophobicContact CG-CE2 4.05Å; P274-Y294 VanDerWaalsContact CG-OH 3.22Å; P274-Y294 WeakPolarHBondContact CG-OH 2.95Å; L275-Y294 HydrophobicContact CB-CE2 4.45Å; L275-Y294 HydrophobicContact CD2-CD2 4.07Å; V290-Y294 PolarHBondContact O-N 3.3Å; I291-Y294 PolarHBondContact O-N 3.26Å; T292-Y294 VanDerWaalsContact C-N 3.34Å; T292-Y294 PolarHBondContact O-N 3.38Å; Y294-N296 VanDerWaalsContact C-N 3.29Å; Y294-N296 PolarHBondContact O-N 3.47Å; Y294-N297 PolarHBondContact O-N 3.15Å; Y294-L302 HydrophobicContact CD1-CD1 4.18Å; Y294-L302 HydrophobicContact CD2-CD1 3.61Å; Y294-L302 HydrophobicContact CE1-CD1 4.07Å; Y294-L302 HydrophobicContact CE2-CD1 3.5Å; Y294-L302 HydrophobicContact CG-CD1 3.95Å
295	Y	97.3	Very high	96	Very high	124 Å²	124	53.8 Å²	53.8	49%	0.486	26%	0.263	S	S	.	.	H	α-helix	trans	-73.6	-16.4	-175.9	-72.1	-57.8	0	0	0	114.7	N181 F182 I291 N297	N181-Y295 PolarHBondContact O-OH 3.36Å; F182-Y295 HydrophobicContact CD2-CE2 4.02Å; I291-Y295 HydrophobicContact CG2-CD2 3.59Å; I291-Y295 HydrophobicContact CG2-CE2 3.62Å; I291-Y295 WeakPolarHBondContact O-CD2 2.99Å; I291-Y295 PolarHBondContact O-N 3.35Å; Y295-N297 PolarHBondContact O-N 2.75Å
296	N	97.1	Very high	96.1	Very high	125 Å²	125	54.2 Å²	54.2	67%	0.668	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-4.5	172.8	-76.3	-0.1	0	0	0	113.3	T292 Y294	T292-N296 VanDerWaalsContact O-CB 3.28Å; T292-N296 WeakPolarHBondContact O-CB 3.28Å; T292-N296 PolarHBondContact O-N 2.77Å; T292-N296 PolarHBondContact O-OD1 2.84Å; Y294-N296 VanDerWaalsContact C-N 3.29Å; Y294-N296 PolarHBondContact O-N 3.47Å
297	N	97.2	Very high	96.2	Very high	47 Å²	47	54 Å²	54	25%	0.251	26%	0.263	S	S	.	.	S	Bend	trans	-124.4	150.9	-178.4	-68.4	-78	0	0	0	110.9	F293 Y294 Y295 Y301 L302	F293-N297 PolarHBondContact O-ND2 3.44Å; Y294-N297 PolarHBondContact O-N 3.15Å; Y295-N297 PolarHBondContact O-N 2.75Å; N297-Y301 HydrophobicContact CB-CD1 3.71Å; N297-Y301 HydrophobicContact CB-CE1 4.29Å; N297-Y301 WeakPolarHBondContact OD1-CD1 3.27Å; N297-Y301 VanDerWaalsContact OD1-CE1 3.29Å; N297-Y301 WeakPolarHBondContact OD1-CE1 3.32Å; N297-L302 HydrophobicContact CB-CD2 3.77Å; N297-L302 HydrophobicContact CB-CG 3.98Å
298	T	96.5	Very high	96.3	Very high	96 Å²	96	54 Å²	54	59%	0.589	26%	0.263	S	S	*	.			trans	-75.3	153.3	175.4	61.3	0	0	0	0	110.8	D300 Y301 L302	T298-D300 VanDerWaalsContact C-N 3.28Å; T298-D300 PolarHBondContact O-N 2.77Å; T298-Y301 WeakPolarHBondContact O-CB 3.36Å; T298-Y301 PolarHBondContact O-N 3.49Å; T298-Y301 VanDerWaalsContact O-N 3.14Å; T298-Y301 WeakPolarHBondContact OG1-CB 3.2Å; T298-Y301 PolarHBondContact OG1-N 2.79Å; T298-L302 WeakPolarHBondContact O-CG 3.2Å; T298-L302 PolarHBondContact O-N 3.4Å
299	E	94.1	Very high	96.4	Very high	109 Å²	109	51 Å²	51	51%	0.509	25%	0.249	S	C	.	.	H	α-helix	trans	-57.1	-42.2	177.4	-170.2	-174.7	142.4	0	0	111.9	P274 Y301 L302 R303	P274-E299 HydrophobicContact CB-CG 3.94Å; E299-Y301 VanDerWaalsContact C-N 3.33Å; E299-Y301 PolarHBondContact O-N 3.4Å; E299-L302 PolarHBondContact O-N 3.46Å; E299-L302 VanDerWaalsContact O-N 3.13Å; E299-R303 HydrophobicContact CG-CG 4.2Å; E299-R303 VanDerWaalsContact O-CG 3.25Å; E299-R303 WeakPolarHBondContact O-CG 3.32Å; E299-R303 PolarHBondContact O-N 3.37Å; E299-R303 IonicContact OE1-NH1 3.7Å
300	D	94.4	Very high	96.4	Very high	110 Å²	110	51.7 Å²	51.7	59%	0.588	25%	0.252	S	S	*	.	H	α-helix	trans	-60.4	-41.1	177.5	-177	59.6	0	0	0	112.3	T298 R303 N304	T298-D300 VanDerWaalsContact C-N 3.28Å; T298-D300 PolarHBondContact O-N 2.77Å; D300-R303 PolarHBondContact O-N 2.81Å; D300-N304 PolarHBondContact O-N 3.1Å; D300-N304 PolarHBondContact O-ND2 2.97Å; D300-N304 PolarHBondContact OD1-ND2 2.63Å; D300-N304 VanDerWaalsContact OD1-ND2 3.12Å
301	Y	96.9	Very high	95.7	Very high	91 Å²	91	55.7 Å²	55.7	36%	0.357	27%	0.267	S	S	.	.	H	α-helix	trans	-62.4	-47.9	172.5	177.1	-91	0	0	0	111.2	N297 T298 E299 R303 N304 M305	N297-Y301 HydrophobicContact CB-CD1 3.71Å; N297-Y301 HydrophobicContact CB-CE1 4.29Å; N297-Y301 WeakPolarHBondContact OD1-CD1 3.27Å; N297-Y301 VanDerWaalsContact OD1-CE1 3.29Å; N297-Y301 WeakPolarHBondContact OD1-CE1 3.32Å; T298-Y301 WeakPolarHBondContact O-CB 3.36Å; T298-Y301 PolarHBondContact O-N 3.49Å; T298-Y301 VanDerWaalsContact O-N 3.14Å; T298-Y301 WeakPolarHBondContact OG1-CB 3.2Å; T298-Y301 PolarHBondContact OG1-N 2.79Å; E299-Y301 VanDerWaalsContact C-N 3.33Å; E299-Y301 PolarHBondContact O-N 3.4Å; Y301-R303 VanDerWaalsContact C-N 3.29Å; Y301-R303 PolarHBondContact O-N 2.98Å; Y301-N304 PolarHBondContact O-N 2.79Å; Y301-M305 HydrophobicContact CD1-CB 4.28Å; Y301-M305 HydrophobicContact CD1-CG 4.48Å; Y301-M305 HydrophobicContact CD1-SD 4.14Å; Y301-M305 HydrophobicContact CE1-CB 3.93Å; Y301-M305 HydrophobicContact CE1-CE 4.48Å; Y301-M305 HydrophobicContact CE1-CG 4.28Å; Y301-M305 HydrophobicContact CE1-SD 3.71Å; Y301-M305 VanDerWaalsContact O-CB 3.28Å; Y301-M305 WeakPolarHBondContact O-CB 3.36Å; Y301-M305 WeakPolarHBondContact O-CG 3.19Å; Y301-M305 PolarHBondContact O-N 3.19Å
302	L	97.2	Very high	94.9	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-60	-37.8	-179.3	-68.2	177.1	0	0	0	112.5	L275 F293 Y294 N297 T298 E299 N304 M305 G352	L275-L302 HydrophobicContact CD1-CB 4.3Å; L275-L302 HydrophobicContact CD1-CD2 4.32Å; L275-L302 WeakPolarHBondContact CD1-O 2.99Å; L275-L302 HydrophobicContact CD2-CD2 4.07Å; F293-L302 HydrophobicContact CE1-CD2 4.27Å; Y294-L302 HydrophobicContact CD1-CD1 4.18Å; Y294-L302 HydrophobicContact CD2-CD1 3.61Å; Y294-L302 HydrophobicContact CE1-CD1 4.07Å; Y294-L302 HydrophobicContact CE2-CD1 3.5Å; Y294-L302 HydrophobicContact CG-CD1 3.95Å; N297-L302 HydrophobicContact CB-CD2 3.77Å; N297-L302 HydrophobicContact CB-CG 3.98Å; T298-L302 WeakPolarHBondContact O-CG 3.2Å; T298-L302 PolarHBondContact O-N 3.4Å; E299-L302 PolarHBondContact O-N 3.46Å; E299-L302 VanDerWaalsContact O-N 3.13Å; L302-N304 VanDerWaalsContact C-N 3.33Å; L302-N304 PolarHBondContact O-N 3.19Å; L302-M305 HydrophobicContact CD2-SD 3.77Å; L302-M305 VanDerWaalsContact O-CG 3.32Å; L302-M305 WeakPolarHBondContact O-CG 3.37Å; L302-G352 WeakPolarHBondContact O-CA 3.47Å
303	R	95	Very high	93.6	Very high	41 Å²	41	59.7 Å²	59.7	16%	0.155	30%	0.299	C	S	.	.	H	α-helix	trans	-70.7	-27.4	179.8	-69.9	176.6	74.4	86	16.2	113.6	K271 P274 E299 D300 Y301 G352 A353 N354	K271-R303 VanDerWaalsContact O-CZ 3.26Å; K271-R303 PolarHBondContact O-NH1 3.19Å; K271-R303 PolarHBondContact O-NH2 2.88Å; P274-R303 HydrophobicContact CB-CG 3.72Å; P274-R303 WeakPolarHBondContact O-CA 3.42Å; E299-R303 HydrophobicContact CG-CG 4.2Å; E299-R303 VanDerWaalsContact O-CG 3.25Å; E299-R303 WeakPolarHBondContact O-CG 3.32Å; E299-R303 PolarHBondContact O-N 3.37Å; E299-R303 IonicContact OE1-NH1 3.7Å; D300-R303 PolarHBondContact O-N 2.81Å; Y301-R303 VanDerWaalsContact C-N 3.29Å; Y301-R303 PolarHBondContact O-N 2.98Å; R303-G352 CarbonylContact O-C 3.58Å; R303-G352 WeakPolarHBondContact O-CA 3.49Å; R303-A353 PolarHBondContact O-N 3.5Å; R303-N354 PolarHBondContact NH2-OD1 3.16Å; R303-N354 WeakPolarHBondContact O-CB 3.21Å; R303-N354 PolarHBondContact O-N 3.47Å
304	N	94.4	Very high	92.7	Very high	62 Å²	62	64 Å²	64	33%	0.332	32%	0.315	S	S	.	.	H	α-helix	trans	-107.4	-9.8	-175.3	-64.6	-62.4	0	0	0	113.8	D300 Y301 L302 N354 L355	D300-N304 PolarHBondContact O-N 3.1Å; D300-N304 PolarHBondContact O-ND2 2.97Å; D300-N304 PolarHBondContact OD1-ND2 2.63Å; D300-N304 VanDerWaalsContact OD1-ND2 3.12Å; Y301-N304 PolarHBondContact O-N 2.79Å; L302-N304 VanDerWaalsContact C-N 3.33Å; L302-N304 PolarHBondContact O-N 3.19Å; N304-N354 PolarHBondContact OD1-ND2 3.18Å; N304-L355 WeakPolarHBondContact O-CD1 3.17Å
305	M	96.4	Very high	91.9	Very high	8 Å²	8	67.5 Å²	67.5	4%	0.039	34%	0.339	C	S	.	.			trans	-74.4	156.7	-178.4	66.4	166.8	-67	0	0	113	L275 F293 Y301 L302 I350 G352 L355 L390	L275-M305 HydrophobicContact CD1-CG 4.17Å; L275-M305 HydrophobicContact CD1-SD 4.02Å; F293-M305 HydrophobicContact CE1-CE 4.15Å; F293-M305 HydrophobicContact CE1-SD 4.06Å; F293-M305 HydrophobicContact CZ-CE 3.62Å; F293-M305 HydrophobicContact CZ-SD 3.79Å; Y301-M305 HydrophobicContact CD1-CB 4.28Å; Y301-M305 HydrophobicContact CD1-CG 4.48Å; Y301-M305 HydrophobicContact CD1-SD 4.14Å; Y301-M305 HydrophobicContact CE1-CB 3.93Å; Y301-M305 HydrophobicContact CE1-CE 4.48Å; Y301-M305 HydrophobicContact CE1-CG 4.28Å; Y301-M305 HydrophobicContact CE1-SD 3.71Å; Y301-M305 VanDerWaalsContact O-CB 3.28Å; Y301-M305 WeakPolarHBondContact O-CB 3.36Å; Y301-M305 WeakPolarHBondContact O-CG 3.19Å; Y301-M305 PolarHBondContact O-N 3.19Å; L302-M305 HydrophobicContact CD2-SD 3.77Å; L302-M305 VanDerWaalsContact O-CG 3.32Å; L302-M305 WeakPolarHBondContact O-CG 3.37Å; M305-I350 HydrophobicContact CE-CB 4.24Å; M305-I350 HydrophobicContact CE-CG2 3.96Å; M305-I350 HydrophobicContact SD-CG2 4.33Å; M305-G352 PolarHBondContact O-N 3.25Å; M305-L355 WeakPolarHBondContact O-CD1 3.24Å; M305-L390 HydrophobicContact CE-CD1 4.02Å
306	N	97.5	Very high	91.3	Very high	8 Å²	8	61.8 Å²	61.8	4%	0.043	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	150.2	157.7	66.5	104.8	0	0	0	106.9	Y344 I350 L355 F380 I385 T386 L387 V388	N306-Y344 HydrophobicContact CB-CE2 4.45Å; N306-Y344 PolarHBondContact OD1-OH 3.01Å; N306-I350 CarbonylContact C-O 3.52Å; N306-I350 WeakPolarHBondContact CA-O 3.13Å; N306-L355 HydrophobicContact CB-CD1 3.72Å; N306-F380 HydrophobicContact CB-CE1 3.92Å; N306-F380 HydrophobicContact CB-CZ 3.93Å; N306-I385 WeakPolarHBondContact ND2-CG2 3.35Å; N306-T386 PolarHBondContact ND2-O 3.3Å; N306-T386 VanDerWaalsContact ND2-O 3.1Å; N306-L387 WeakPolarHBondContact OD1-CA 3.4Å; N306-L387 WeakPolarHBondContact OD1-CD2 3.19Å; N306-V388 VanDerWaalsContact O-CB 3.25Å; N306-V388 WeakPolarHBondContact O-CB 3.41Å; N306-V388 WeakPolarHBondContact O-CG2 3.42Å
307	G	97.2	Very high	90.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	144.9	-178.6	0	0	0	0	0	115	Y344 Y349 I350 V388	G307-Y344 WeakPolarHBondContact CA-OH 3.39Å; G307-Y344 PolarHBondContact N-OH 3.17Å; G307-Y349 CarbonylContact O-C 3.58Å; G307-Y349 WeakPolarHBondContact O-CA 3.23Å; G307-Y349 WeakPolarHBondContact O-CB 3.3Å; G307-I350 PolarHBondContact N-O 2.86Å; G307-I350 PolarHBondContact O-N 3.2Å; G307-V388 WeakPolarHBondContact CA-O 3.47Å
308	G	97	Very high	90	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-180	-172.8	-178.6	0	0	0	0	0	112.6	I310 Y344 V388 H389 L390	G308-I310 PolarHBondContact O-N 3.02Å; G308-Y344 VanDerWaalsContact C-CD1 3.42Å; G308-V388 PolarHBondContact N-O 2.91Å; G308-H389 WeakPolarHBondContact O-CA 3.32Å; G308-L390 PolarHBondContact O-N 3.31Å
309	Y	95.5	Very high	88.9	Confident	84 Å²	84	58.5 Å²	58.5	33%	0.329	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	102.6	176.1	-172.8	-99	0	0	0	110.2	Y344 H345 H389 I393 P395	Y309-Y344 WeakPolarHBondContact O-CA 3.47Å; Y309-H345 HydrophobicContact CD1-CB 4.33Å; Y309-H345 AromaticContact CD1-CD2 3.37Å; Y309-H345 WeakPolarHBondContact CD1-CD2 3.47Å; Y309-H345 AromaticContact CE1-CD2 3.77Å; Y309-H345 PolarHBondContact O-N 2.78Å; Y309-H389 AromaticContact CD2-CE1 3.37Å; Y309-H389 WeakPolarHBondContact CD2-CE1 3.31Å; Y309-H389 AromaticContact CD2-NE2 3.8Å; Y309-H389 AromaticContact CE2-CE1 3.64Å; Y309-I393 WeakPolarHBondContact CD2-O 3.33Å; Y309-P395 HydrophobicContact CD1-CG 4.42Å; Y309-P395 HydrophobicContact CE1-CG 4.21Å
310	I	93.9	Very high	87.8	Confident	37 Å²	37	58.6 Å²	58.6	19%	0.19	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	134.1	-172.7	-60.8	-179.2	0	0	0	112.4	G308 P342 Y344 L387 H389	G308-I310 PolarHBondContact O-N 3.02Å; I310-P342 HydrophobicContact CG2-CB 4.45Å; I310-Y344 HydrophobicContact CD1-CE1 4.31Å; I310-Y344 HydrophobicContact CG1-CD1 3.86Å; I310-Y344 HydrophobicContact CG1-CE1 3.6Å; I310-L387 HydrophobicContact CD1-CB 3.72Å; I310-L387 HydrophobicContact CG1-CB 4.27Å; I310-H389 HydrophobicContact CD1-CB 3.81Å; I310-H389 HydrophobicContact CG1-CB 4.1Å; I310-H389 PolarHBondContact N-ND1 3Å
311	R	84	Confident	86.4	Confident	89 Å²	89	59.2 Å²	59.2	34%	0.336	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	115.2	156.6	-89.1	-82.8	-179.3	-176.7	-0.9	109.5	Y343 H345	R311-Y343 HydrophobicContact CB-CD2 4.35Å; R311-Y343 HydrophobicContact CB-CE1 4.19Å; R311-Y343 HydrophobicContact CB-CE2 3.97Å; R311-Y343 HydrophobicContact CG-CE2 4.27Å; R311-Y343 PolarHBondContact N-O 2.73Å; R311-Y343 PolarHBondContact O-N 3.04Å; R311-H345 WeakPolarHBondContact CG-CD2 3.15Å; R311-H345 VanDerWaalsContact CG-NE2 3.26Å; R311-H345 WeakPolarHBondContact CG-NE2 3.04Å; R311-H345 PolarHBondContact NE-NE2 3.06Å
312	S	78.7	Confident	84.7	Confident	97 Å²	97	62.9 Å²	62.9	68%	0.678	32%	0.323	S	S	*	.			trans	-65.7	142.9	170.3	-52.8	0	0	0	0	110.7	R314	S312-R314 PolarHBondContact O-N 3.44Å; S312-R314 VanDerWaalsContact O-N 3.12Å
313	S	70.2	Confident	82.9	Confident	75 Å²	75	68.6 Å²	68.6	52%	0.524	35%	0.35	S	S	.	.	S	Bend	trans	-14.4	100.6	-180	-172.8	0	0	0	0	114	Y340	S313-Y340 PolarHBondContact OG-O 2.81Å
314	R	77.4	Confident	81.3	Confident	116 Å²	116	71.5 Å²	71.5	44%	0.438	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-99	133.4	-177.2	-107.7	-119.8	179.5	166.6	-2.4	109.8	S312 V316 S339 Y340 Y343	S312-R314 PolarHBondContact O-N 3.44Å; S312-R314 VanDerWaalsContact O-N 3.12Å; R314-V316 PolarHBondContact O-N 3.09Å; R314-S339 CarbonylContact O-C 3.55Å; R314-S339 VanDerWaalsContact O-CA 3.27Å; R314-S339 WeakPolarHBondContact O-CA 3.28Å; R314-Y340 PolarHBondContact O-N 3.32Å; R314-Y343 HydrophobicContact CB-CE1 4.32Å
315	T	82.3	Confident	80	Confident	97 Å²	97	69 Å²	69	60%	0.595	36%	0.359	S	S	*	.	B	Isolated β-bridge	trans	-58	132	168	-49.9	0	0	0	0	109.9	F317 I338	T315-F317 PolarHBondContact O-N 3.19Å; T315-I338 CarbonylContact C-O 3.6Å; T315-I338 WeakPolarHBondContact CA-O 3.43Å; T315-I338 HydrophobicContact CG2-CG2 4.13Å
316	V	85.2	Confident	79.1	Confident	5 Å²	5	70.4 Å²	70.4	3%	0.03	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-67.3	123.3	177	174.2	0	0	0	0	108.3	R314 R318 M330 F335 I338 Y340	R314-V316 PolarHBondContact O-N 3.09Å; V316-R318 PolarHBondContact O-N 3.25Å; V316-M330 HydrophobicContact CG1-CB 3.9Å; V316-F335 HydrophobicContact CG1-CD1 4.42Å; V316-F335 HydrophobicContact CG2-CD1 3.48Å; V316-F335 VanDerWaalsContact CG2-CD1 3.48Å; V316-F335 HydrophobicContact CG2-CE1 3.49Å; V316-F335 VanDerWaalsContact CG2-CE1 3.49Å; V316-I338 WeakPolarHBondContact CB-O 3.47Å; V316-I338 WeakPolarHBondContact CG2-O 3.31Å; V316-I338 PolarHBondContact N-O 3.19Å; V316-Y340 HydrophobicContact CB-CE2 4.07Å; V316-Y340 HydrophobicContact CG1-CE2 4.3Å; V316-Y340 HydrophobicContact CG2-CD1 3.98Å; V316-Y340 HydrophobicContact CG2-CD2 3.79Å; V316-Y340 HydrophobicContact CG2-CE1 3.75Å; V316-Y340 HydrophobicContact CG2-CE2 3.56Å; V316-Y340 HydrophobicContact CG2-CG 4Å
317	F	83.4	Confident	78.2	Confident	103 Å²	103	71.6 Å²	71.6	45%	0.452	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-70.3	124.5	175.7	-166.9	-99.6	0	0	0	108.8	T315 A329 M330	T315-F317 PolarHBondContact O-N 3.19Å; F317-A329 HydrophobicContact CD1-CB 3.49Å; F317-A329 VanDerWaalsContact CD1-CB 3.49Å; F317-A329 HydrophobicContact CE1-CB 4Å; F317-A329 CarbonylContact O-C 3.48Å; F317-A329 VanDerWaalsContact O-CA 3.24Å; F317-A329 WeakPolarHBondContact O-CA 3.41Å; F317-M330 PolarHBondContact O-N 2.91Å
318	R	82.2	Confident	77.6	Confident	66 Å²	66	78.6 Å²	78.6	25%	0.249	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-100.7	143	-177.5	-61.6	-56.5	-172.2	178.9	4.2	110.8	V316 M330 T331 F335 P336 W337	V316-R318 PolarHBondContact O-N 3.25Å; R318-M330 WeakPolarHBondContact CD-O 3.35Å; R318-M330 PolarHBondContact NH1-O 2.86Å; R318-T331 PolarHBondContact NH1-O 2.79Å; R318-F335 VanDerWaalsContact CZ-O 3.29Å; R318-F335 PolarHBondContact NH1-O 2.81Å; R318-F335 PolarHBondContact NH2-O 2.93Å; R318-P336 PolarHBondContact NH2-O 3.05Å; R318-W337 PolarHBondContact NH2-O 3.09Å
319	P	74.6	Confident	77	Confident	29 Å²	29	78.6 Å²	78.6	19%	0.188	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-55.7	136.4	170.9	-26.7	36.3	0	0	0	111.4	Y208 S325 A329 M330 T331	Y208-P319 WeakPolarHBondContact OH-CG 3.25Å; P319-S325 WeakPolarHBondContact CA-OG 3.47Å; P319-S325 VanDerWaalsContact CB-OG 3.29Å; P319-S325 WeakPolarHBondContact CB-OG 3.12Å; P319-A329 HydrophobicContact CG-CB 4.04Å; P319-M330 WeakPolarHBondContact CD-O 3.45Å; P319-T331 HydrophobicContact CG-CG2 4.19Å
320	M	70.3	Confident	76.3	Confident	111 Å²	111	74.6 Å²	74.6	55%	0.547	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-93.9	138.5	172.3	-61	-168.5	81.9	0	0	109.5	N322 E323	M320-N322 PolarHBondContact O-N 3.39Å; M320-E323 HydrophobicContact CB-CB 4.26Å; M320-E323 PolarHBondContact O-N 3.09Å
321	V	65.3	Low	75.7	Confident	124 Å²	124	73.5 Å²	73.5	75%	0.752	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	134.1	-179.6	-178.1	0	0	0	0	109.1	E323	V321-E323 VanDerWaalsContact C-N 3.25Å; V321-E323 PolarHBondContact O-N 3.47Å
322	N	61.8	Low	75.2	Confident	167 Å²	167	73.8 Å²	73.8	89%	0.893	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	11	-179.9	-56.4	-24.8	0	0	0	116.7	M320	M320-N322 PolarHBondContact O-N 3.39Å
323	E	59.4	Low	75.1	Confident	122 Å²	122	76.3 Å²	76.3	57%	0.57	39%	0.393	S	S	*	.	S	Bend	trans	-117.7	149.2	175.8	-67.5	-175.7	-179.1	0	0	112.2	M320 V321 S325	M320-E323 HydrophobicContact CB-CB 4.26Å; M320-E323 PolarHBondContact O-N 3.09Å; V321-E323 VanDerWaalsContact C-N 3.25Å; V321-E323 PolarHBondContact O-N 3.47Å; E323-S325 PolarHBondContact O-N 3.42Å
324	T	61.6	Low	75.4	Confident	101 Å²	101	74 Å²	74	62%	0.62	37%	0.374	S	S	*	.			trans	-63.8	108.9	169.6	51.7	0	0	0	0	108.7	I209	I209-T324 HydrophobicContact CD1-CG2 3.47Å; I209-T324 VanDerWaalsContact CD1-CG2 3.47Å; I209-T324 HydrophobicContact CG1-CG2 3.82Å
325	S	67	Low	75.6	Confident	10 Å²	10	69 Å²	69	7%	0.07	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-72.7	143	-172.8	-68.9	0	0	0	0	111.9	P319 E323	P319-S325 WeakPolarHBondContact CA-OG 3.47Å; P319-S325 VanDerWaalsContact CB-OG 3.29Å; P319-S325 WeakPolarHBondContact CB-OG 3.12Å; E323-S325 PolarHBondContact O-N 3.42Å
326	S	76.8	Confident	75.4	Confident	38 Å²	38	67.8 Å²	67.8	27%	0.266	35%	0.35	S	S	.	.			trans	-49.5	145.7	173.5	176.7	0	0	0	0	111.1	W328 A329	S326-W328 PolarHBondContact O-N 2.58Å; S326-W328 VanDerWaalsContact O-N 3.07Å; S326-W328 PolarHBondContact OG-N 3.18Å; S326-A329 VanDerWaalsContact O-CB 3.27Å; S326-A329 WeakPolarHBondContact O-CB 3.45Å; S326-A329 PolarHBondContact O-N 2.57Å
327	V	79.3	Confident	75.4	Confident	33 Å²	33	75.1 Å²	75.1	20%	0.2	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.7	174.4	-60.1	0	0	0	0	112.4	L210 Y251 Y252	L210-V327 HydrophobicContact CD1-CB 4.4Å; L210-V327 HydrophobicContact CD1-CG1 3.66Å; Y251-V327 HydrophobicContact CD1-CB 4.16Å; Y251-V327 HydrophobicContact CD1-CG2 4.39Å; Y251-V327 HydrophobicContact CE1-CB 3.99Å; Y251-V327 HydrophobicContact CE1-CG2 3.83Å; Y252-V327 HydrophobicContact CE1-CB 4.48Å
328	W	84	Confident	75.3	Confident	147 Å²	147	76.4 Å²	76.4	56%	0.557	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	1.9	174.8	-51.6	-44.2	0	0	0	113.8	Y251 S326 I371	Y251-W328 AromaticContact CZ-NE1 3.77Å; Y251-W328 PolarHBondContact OH-NE1 3.03Å; S326-W328 PolarHBondContact O-N 2.58Å; S326-W328 VanDerWaalsContact O-N 3.07Å; S326-W328 PolarHBondContact OG-N 3.18Å; W328-I371 HydrophobicContact CB-CD1 4.29Å; W328-I371 WeakPolarHBondContact O-CD1 3.33Å
329	A	83.2	Confident	75.6	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	39%	0.389	C	S	.	.			trans	-76.9	137.9	179.2	0	0	0	0	0	111.4	Y208 F317 P319 S326 R370	Y208-A329 HydrophobicContact CE1-CB 4.07Å; F317-A329 HydrophobicContact CD1-CB 3.49Å; F317-A329 VanDerWaalsContact CD1-CB 3.49Å; F317-A329 HydrophobicContact CE1-CB 4Å; F317-A329 CarbonylContact O-C 3.48Å; F317-A329 VanDerWaalsContact O-CA 3.24Å; F317-A329 WeakPolarHBondContact O-CA 3.41Å; P319-A329 HydrophobicContact CG-CB 4.04Å; S326-A329 VanDerWaalsContact O-CB 3.27Å; S326-A329 WeakPolarHBondContact O-CB 3.45Å; S326-A329 PolarHBondContact O-N 2.57Å; A329-R370 PolarHBondContact O-NH2 3.38Å
330	M	81.9	Confident	76.3	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.382	C	S	.	.			trans	-130.6	133.4	-178.4	-75.6	-160.4	67	0	0	111.9	V316 F317 R318 P319 E334 F335 Y340 I369 I371	V316-M330 HydrophobicContact CG1-CB 3.9Å; F317-M330 PolarHBondContact O-N 2.91Å; R318-M330 WeakPolarHBondContact CD-O 3.35Å; R318-M330 PolarHBondContact NH1-O 2.86Å; P319-M330 WeakPolarHBondContact CD-O 3.45Å; M330-E334 HydrophobicContact CE-CB 3.55Å; M330-F335 HydrophobicContact CE-CB 3.55Å; M330-F335 HydrophobicContact SD-CB 4.29Å; M330-Y340 WeakPolarHBondContact CG-OH 3.49Å; M330-Y340 HydrophobicContact SD-CE1 3.98Å; M330-Y340 PolarHBondContact SD-OH 3.04Å; M330-I369 HydrophobicContact CE-CB 3.52Å; M330-I369 HydrophobicContact CE-CD1 4.27Å; M330-I369 HydrophobicContact CE-CG1 4.46Å; M330-I369 HydrophobicContact CE-CG2 3.63Å; M330-I369 HydrophobicContact SD-CB 4.18Å; M330-I369 HydrophobicContact SD-CD1 3.97Å; M330-I371 HydrophobicContact CG-CD1 4.1Å; M330-I371 HydrophobicContact SD-CD1 4.04Å; M330-I371 HydrophobicContact SD-CG1 4.21Å
331	T	80.1	Confident	77.3	Confident	14 Å²	14	70.1 Å²	70.1	9%	0.086	36%	0.363	C	S	.	.			trans	-72.2	160.4	176.6	77.8	0	0	0	0	111.5	D204 R318 P319 K333 E334 F335	D204-T331 HydrophobicContact CB-CG2 3.84Å; D204-T331 PolarHBondContact OD2-OG1 3.46Å; R318-T331 PolarHBondContact NH1-O 2.79Å; P319-T331 HydrophobicContact CG-CG2 4.19Å; T331-K333 PolarHBondContact O-N 3.23Å; T331-K333 PolarHBondContact OG1-N 2.87Å; T331-E334 PolarHBondContact N-OE2 2.79Å; T331-E334 VanDerWaalsContact N-OE2 3.15Å; T331-E334 PolarHBondContact O-N 3.04Å; T331-E334 WeakPolarHBondContact OG1-CG 3.43Å; T331-E334 PolarHBondContact OG1-N 2.86Å; T331-F335 PolarHBondContact O-N 3.41Å
332	V	75.3	Confident	78.6	Confident	94 Å²	94	67 Å²	67	57%	0.57	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-33.1	171.7	178.4	0	0	0	0	110.9	F335 P336	V332-F335 CarbonylContact O-C 3.6Å; V332-F335 VanDerWaalsContact O-C 3.28Å; V332-P336 HydrophobicContact CG1-CB 4.32Å; V332-P336 WeakPolarHBondContact O-CA 3.39Å; V332-P336 VanDerWaalsContact O-N 3.16Å
333	K	75.9	Confident	80.2	Confident	150 Å²	150	60.1 Å²	60.1	65%	0.652	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-33.7	176.9	179.8	176.5	168	-151.9	0	112.6	D204 T331 K367	D204-K333 WeakPolarHBondContact OD1-CD 3.04Å; D204-K333 WeakPolarHBondContact OD1-CE 3.41Å; D204-K333 IonicContact OD1-NZ 2.73Å; D204-K333 PolarHBondContact OD1-NZ 3.09Å; T331-K333 PolarHBondContact O-N 3.23Å; T331-K333 PolarHBondContact OG1-N 2.87Å; K333-K367 PolarHBondContact O-NZ 3.32Å
334	E	75.6	Confident	82	Confident	28 Å²	28	54.5 Å²	54.5	13%	0.131	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-52	172.4	-70.1	-179.2	109.7	0	0	111.1	M330 T331 R370	M330-E334 HydrophobicContact CE-CB 3.55Å; T331-E334 PolarHBondContact N-OE2 2.79Å; T331-E334 VanDerWaalsContact N-OE2 3.15Å; T331-E334 PolarHBondContact O-N 3.04Å; T331-E334 WeakPolarHBondContact OG1-CG 3.43Å; T331-E334 PolarHBondContact OG1-N 2.86Å; E334-R370 IonicContact OE1-CZ 2.78Å; E334-R370 IonicContact OE1-NE 3.86Å; E334-R370 PolarHBondContact OE1-NE 2.96Å; E334-R370 IonicContact OE1-NH2 3.92Å; E334-R370 PolarHBondContact OE1-NH2 3.48Å; E334-R370 IonicContact OE2-CZ 3.31Å; E334-R370 IonicContact OE2-NE 2.76Å; E334-R370 IonicContact OE2-NH2 2.92Å; E334-R370 PolarHBondContact OE2-NH2 2.84Å
335	F	81.7	Confident	83.4	Confident	10 Å²	10	51.6 Å²	51.6	4%	0.044	26%	0.26	C	S	.	.			trans	-140.4	107.6	179.4	-173.1	-100.3	0	0	0	110.8	V316 R318 M330 T331 V332 W337 Y340 I369 I378	V316-F335 HydrophobicContact CG1-CD1 4.42Å; V316-F335 HydrophobicContact CG2-CD1 3.48Å; V316-F335 VanDerWaalsContact CG2-CD1 3.48Å; V316-F335 HydrophobicContact CG2-CE1 3.49Å; V316-F335 VanDerWaalsContact CG2-CE1 3.49Å; R318-F335 VanDerWaalsContact CZ-O 3.29Å; R318-F335 PolarHBondContact NH1-O 2.81Å; R318-F335 PolarHBondContact NH2-O 2.93Å; M330-F335 HydrophobicContact CE-CB 3.55Å; M330-F335 HydrophobicContact SD-CB 4.29Å; T331-F335 PolarHBondContact O-N 3.41Å; V332-F335 CarbonylContact O-C 3.6Å; V332-F335 VanDerWaalsContact O-C 3.28Å; F335-W337 HydrophobicContact CD1-CB 4.29Å; F335-W337 HydrophobicContact CD1-CE3 4.36Å; F335-W337 WeakPolarHBondContact CD1-O 3.34Å; F335-W337 AromaticContact CD2-CE3 3.69Å; F335-W337 HydrophobicContact CD2-CE3 3.69Å; F335-W337 HydrophobicContact CD2-CZ3 4.01Å; F335-W337 HydrophobicContact CE1-CB 3.62Å; F335-W337 HydrophobicContact CE1-CE3 4.11Å; F335-W337 WeakPolarHBondContact CE1-O 3.27Å; F335-W337 HydrophobicContact CE2-CD2 4.39Å; F335-W337 AromaticContact CE2-CE3 3.37Å; F335-W337 HydrophobicContact CE2-CE3 3.37Å; F335-W337 AromaticContact CE2-CZ3 3.83Å; F335-W337 HydrophobicContact CE2-CZ3 3.83Å; F335-W337 HydrophobicContact CG-CE3 4.18Å; F335-W337 HydrophobicContact CZ-CB 3.92Å; F335-W337 HydrophobicContact CZ-CD2 4.24Å; F335-W337 AromaticContact CZ-CE3 3.6Å; F335-W337 HydrophobicContact CZ-CE3 3.6Å; F335-W337 HydrophobicContact CZ-CG 4.41Å; F335-W337 HydrophobicContact CZ-CZ3 4.48Å; F335-W337 PolarHBondContact O-N 3.39Å; F335-Y340 HydrophobicContact CD1-CD1 4.17Å; F335-Y340 AromaticContact CD1-CE1 3.89Å; F335-Y340 HydrophobicContact CD1-CE1 3.89Å; F335-Y340 HydrophobicContact CD2-CE1 4.46Å; F335-Y340 AromaticContact CE1-CD1 3.72Å; F335-Y340 HydrophobicContact CE1-CD1 3.72Å; F335-Y340 AromaticContact CE1-CE1 3.94Å; F335-Y340 HydrophobicContact CE1-CE1 3.94Å; F335-Y340 HydrophobicContact CE2-CD1 4.26Å; F335-Y340 HydrophobicContact CG-CE1 4.15Å; F335-Y340 AromaticContact CZ-CD1 3.78Å; F335-Y340 HydrophobicContact CZ-CD1 3.78Å; F335-Y340 HydrophobicContact CZ-CE1 4.27Å; F335-I369 HydrophobicContact CD2-CG2 4.49Å; F335-I378 HydrophobicContact CD2-CD1 4.08Å; F335-I378 HydrophobicContact CE2-CD1 3.54Å; F335-I378 HydrophobicContact CE2-CG1 4.28Å; F335-I378 HydrophobicContact CZ-CD1 4.4Å
336	P	79.3	Confident	84.4	Confident	72 Å²	72	51.6 Å²	51.6	47%	0.468	26%	0.261	S	S	.	.			trans	-75.8	-24.8	-169.7	26.3	-34.2	0	0	0	114.4	R318 V332	R318-P336 PolarHBondContact NH2-O 3.05Å; V332-P336 HydrophobicContact CG1-CB 4.32Å; V332-P336 WeakPolarHBondContact O-CA 3.39Å; V332-P336 VanDerWaalsContact O-N 3.16Å
337	W	85.3	Confident	85.2	Confident	159 Å²	159	50.2 Å²	50.2	60%	0.602	25%	0.251	S	S	*	.	S	Bend	trans	-75	153.3	-177.3	-57.2	-89.8	0	0	0	113	R318 F335	R318-W337 PolarHBondContact NH2-O 3.09Å; F335-W337 HydrophobicContact CD1-CB 4.29Å; F335-W337 HydrophobicContact CD1-CE3 4.36Å; F335-W337 WeakPolarHBondContact CD1-O 3.34Å; F335-W337 AromaticContact CD2-CE3 3.69Å; F335-W337 HydrophobicContact CD2-CE3 3.69Å; F335-W337 HydrophobicContact CD2-CZ3 4.01Å; F335-W337 HydrophobicContact CE1-CB 3.62Å; F335-W337 HydrophobicContact CE1-CE3 4.11Å; F335-W337 WeakPolarHBondContact CE1-O 3.27Å; F335-W337 HydrophobicContact CE2-CD2 4.39Å; F335-W337 AromaticContact CE2-CE3 3.37Å; F335-W337 HydrophobicContact CE2-CE3 3.37Å; F335-W337 AromaticContact CE2-CZ3 3.83Å; F335-W337 HydrophobicContact CE2-CZ3 3.83Å; F335-W337 HydrophobicContact CG-CE3 4.18Å; F335-W337 HydrophobicContact CZ-CB 3.92Å; F335-W337 HydrophobicContact CZ-CD2 4.24Å; F335-W337 AromaticContact CZ-CE3 3.6Å; F335-W337 HydrophobicContact CZ-CE3 3.6Å; F335-W337 HydrophobicContact CZ-CG 4.41Å; F335-W337 HydrophobicContact CZ-CZ3 4.48Å; F335-W337 PolarHBondContact O-N 3.39Å
338	I	81.7	Confident	86.1	Confident	129 Å²	129	48.7 Å²	48.7	66%	0.662	24%	0.242	S	C	*	.	S	Bend	trans	-74.6	-29.1	-177.6	-62.5	167.6	0	0	0	112	T315 V316	T315-I338 CarbonylContact C-O 3.6Å; T315-I338 WeakPolarHBondContact CA-O 3.43Å; T315-I338 HydrophobicContact CG2-CG2 4.13Å; V316-I338 WeakPolarHBondContact CB-O 3.47Å; V316-I338 WeakPolarHBondContact CG2-O 3.31Å; V316-I338 PolarHBondContact N-O 3.19Å
339	S	86.7	Confident	86.8	Confident	42 Å²	42	41.8 Å²	41.8	29%	0.294	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-132.9	147.6	-178.6	-60.6	0	0	0	0	111.4	R314	R314-S339 CarbonylContact O-C 3.55Å; R314-S339 VanDerWaalsContact O-CA 3.27Å; R314-S339 WeakPolarHBondContact O-CA 3.28Å
340	Y	90.5	Very high	87.5	Confident	10 Å²	10	41.9 Å²	41.9	4%	0.039	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-75.4	149.7	168.9	-59	-69.6	0	0	0	110.5	S313 R314 V316 M330 F335 Y343 I369 A374	S313-Y340 PolarHBondContact OG-O 2.81Å; R314-Y340 PolarHBondContact O-N 3.32Å; V316-Y340 HydrophobicContact CB-CE2 4.07Å; V316-Y340 HydrophobicContact CG1-CE2 4.3Å; V316-Y340 HydrophobicContact CG2-CD1 3.98Å; V316-Y340 HydrophobicContact CG2-CD2 3.79Å; V316-Y340 HydrophobicContact CG2-CE1 3.75Å; V316-Y340 HydrophobicContact CG2-CE2 3.56Å; V316-Y340 HydrophobicContact CG2-CG 4Å; M330-Y340 WeakPolarHBondContact CG-OH 3.49Å; M330-Y340 HydrophobicContact SD-CE1 3.98Å; M330-Y340 PolarHBondContact SD-OH 3.04Å; F335-Y340 HydrophobicContact CD1-CD1 4.17Å; F335-Y340 AromaticContact CD1-CE1 3.89Å; F335-Y340 HydrophobicContact CD1-CE1 3.89Å; F335-Y340 HydrophobicContact CD2-CE1 4.46Å; F335-Y340 AromaticContact CE1-CD1 3.72Å; F335-Y340 HydrophobicContact CE1-CD1 3.72Å; F335-Y340 AromaticContact CE1-CE1 3.94Å; F335-Y340 HydrophobicContact CE1-CE1 3.94Å; F335-Y340 HydrophobicContact CE2-CD1 4.26Å; F335-Y340 HydrophobicContact CG-CE1 4.15Å; F335-Y340 AromaticContact CZ-CD1 3.78Å; F335-Y340 HydrophobicContact CZ-CD1 3.78Å; F335-Y340 HydrophobicContact CZ-CE1 4.27Å; Y340-Y343 HydrophobicContact CD2-CE1 4.39Å; Y340-I369 HydrophobicContact CE1-CD1 3.97Å; Y340-A374 HydrophobicContact CD1-CB 3.79Å; Y340-A374 HydrophobicContact CD2-CB 4.35Å; Y340-A374 HydrophobicContact CE1-CB 3.95Å; Y340-A374 HydrophobicContact CE2-CB 4.49Å; Y340-A374 HydrophobicContact CG-CB 3.99Å
341	P	90.5	Very high	88.2	Confident	22 Å²	22	41.9 Å²	41.9	14%	0.143	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-59.5	163.9	163	28.6	-34.2	0	0	0	110.3	Y343 I378 N381	P341-Y343 WeakPolarHBondContact O-CD1 3.48Å; P341-Y343 PolarHBondContact O-N 2.97Å; P341-I378 HydrophobicContact CG-CB 4.43Å; P341-I378 HydrophobicContact CG-CG1 3.79Å; P341-N381 HydrophobicContact CB-CB 3.87Å; P341-N381 HydrophobicContact CG-CB 4.15Å
342	P	93.2	Very high	89	Confident	60 Å²	60	41.2 Å²	41.2	39%	0.39	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-52.1	141.3	172.9	-25.3	35	0	0	0	111.8	I310 G377 L387	I310-P342 HydrophobicContact CG2-CB 4.45Å; P342-G377 WeakPolarHBondContact O-CA 3.12Å; P342-L387 VanDerWaalsContact C-CD1 3.46Å; P342-L387 HydrophobicContact CB-CD1 4.02Å; P342-L387 VanDerWaalsContact O-CD1 3.28Å; P342-L387 WeakPolarHBondContact O-CD1 3.4Å
343	Y	95.6	Very high	89.8	Confident	22 Å²	22	36.8 Å²	36.8	9%	0.086	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	164.3	178.2	61.2	-88.2	0	0	0	111.1	R311 R314 Y340 P341 D373	R311-Y343 HydrophobicContact CB-CD2 4.35Å; R311-Y343 HydrophobicContact CB-CE1 4.19Å; R311-Y343 HydrophobicContact CB-CE2 3.97Å; R311-Y343 HydrophobicContact CG-CE2 4.27Å; R311-Y343 PolarHBondContact N-O 2.73Å; R311-Y343 PolarHBondContact O-N 3.04Å; R314-Y343 HydrophobicContact CB-CE1 4.32Å; Y340-Y343 HydrophobicContact CD2-CE1 4.39Å; P341-Y343 WeakPolarHBondContact O-CD1 3.48Å; P341-Y343 PolarHBondContact O-N 2.97Å; Y343-D373 VanDerWaalsContact CB-O 3.29Å; Y343-D373 WeakPolarHBondContact CB-O 3.18Å; Y343-D373 HydrophobicContact CD2-CB 3.99Å; Y343-D373 HydrophobicContact CE2-CB 4.44Å
344	Y	96.4	Very high	90.4	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	143.5	172	-63	-51.3	0	0	0	111.1	N306 G307 G308 Y309 I310 G346 Y349 D373 F380 L387 V388	N306-Y344 HydrophobicContact CB-CE2 4.45Å; N306-Y344 PolarHBondContact OD1-OH 3.01Å; G307-Y344 WeakPolarHBondContact CA-OH 3.39Å; G307-Y344 PolarHBondContact N-OH 3.17Å; G308-Y344 VanDerWaalsContact C-CD1 3.42Å; Y309-Y344 WeakPolarHBondContact O-CA 3.47Å; I310-Y344 HydrophobicContact CD1-CE1 4.31Å; I310-Y344 HydrophobicContact CG1-CD1 3.86Å; I310-Y344 HydrophobicContact CG1-CE1 3.6Å; Y344-G346 PolarHBondContact O-N 2.69Å; Y344-Y349 HydrophobicContact CD2-CG 4.49Å; Y344-D373 VanDerWaalsContact O-CB 3.32Å; Y344-D373 WeakPolarHBondContact O-CB 3.45Å; Y344-F380 HydrophobicContact CD2-CE2 4.13Å; Y344-F380 AromaticContact CE2-CE2 3.88Å; Y344-F380 HydrophobicContact CE2-CE2 3.88Å; Y344-F380 HydrophobicContact CE2-CZ 4.3Å; Y344-L387 HydrophobicContact CE1-CB 4.09Å; Y344-L387 HydrophobicContact CE1-CD1 4.39Å; Y344-L387 HydrophobicContact CE2-CD2 3.88Å; Y344-V388 WeakPolarHBondContact CE1-O 3.45Å; Y344-V388 PolarHBondContact OH-N 2.9Å; Y344-V388 PolarHBondContact OH-O 3.34Å
345	H	91.8	Very high	91.3	Very high	40 Å²	40	30.9 Å²	30.9	19%	0.185	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	132.3	165.4	-96.4	-92.5	0	0	0	111.3	Y309 R311 L347	Y309-H345 HydrophobicContact CD1-CB 4.33Å; Y309-H345 AromaticContact CD1-CD2 3.37Å; Y309-H345 WeakPolarHBondContact CD1-CD2 3.47Å; Y309-H345 AromaticContact CE1-CD2 3.77Å; Y309-H345 PolarHBondContact O-N 2.78Å; R311-H345 WeakPolarHBondContact CG-CD2 3.15Å; R311-H345 VanDerWaalsContact CG-NE2 3.26Å; R311-H345 WeakPolarHBondContact CG-NE2 3.04Å; R311-H345 PolarHBondContact NE-NE2 3.06Å; H345-L347 HydrophobicContact CB-CD2 3.64Å; H345-L347 HydrophobicContact CB-CG 4.08Å; H345-L347 PolarHBondContact O-N 3.08Å
346	G	88.7	Confident	91.8	Very high	10 Å²	10	30.4 Å²	30.4	10%	0.103	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	2.6	-176	0	0	0	0	0	118	K157 Y344 D373	K157-G346 PolarHBondContact NZ-O 3.36Å; K157-G346 VanDerWaalsContact NZ-O 3.08Å; Y344-G346 PolarHBondContact O-N 2.69Å; G346-D373 PolarHBondContact N-OD2 3.39Å
347	L	93.1	Very high	92	Very high	10 Å²	10	28.1 Å²	28.1	5%	0.052	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	-42.2	-174.7	61.7	101.9	0	0	0	114.8	I279 D280 Y283 H345 I393 P395 N408	I279-L347 WeakPolarHBondContact CA-O 3.42Å; D280-L347 PolarHBondContact N-O 3.29Å; D280-L347 VanDerWaalsContact N-O 3.08Å; Y283-L347 HydrophobicContact CD2-CB 4.15Å; Y283-L347 HydrophobicContact CE1-CD1 4.23Å; Y283-L347 HydrophobicContact CE2-CB 3.67Å; H345-L347 HydrophobicContact CB-CD2 3.64Å; H345-L347 HydrophobicContact CB-CG 4.08Å; H345-L347 PolarHBondContact O-N 3.08Å; L347-I393 HydrophobicContact CD1-CG2 4.25Å; L347-P395 HydrophobicContact CD2-CB 3.62Å; L347-N408 WeakPolarHBondContact CD1-ND2 3.45Å
348	T	97.5	Very high	92	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	134	178.4	-54.4	0	0	0	0	109.6	L277 F278 I393 N408	L277-T348 HydrophobicContact CD2-CG2 4.14Å; L277-T348 HydrophobicContact CG-CG2 4.44Å; F278-T348 CarbonylContact O-C 3.54Å; F278-T348 VanDerWaalsContact O-CA 3.24Å; F278-T348 WeakPolarHBondContact O-CA 3.35Å; T348-I393 HydrophobicContact CG2-CD1 4.31Å; T348-I393 HydrophobicContact CG2-CG1 4.47Å; T348-I393 HydrophobicContact CG2-CG2 4.42Å; T348-I393 WeakPolarHBondContact O-CG2 3.48Å; T348-N408 HydrophobicContact CG2-CB 4.14Å; T348-N408 WeakPolarHBondContact OG1-CB 3.39Å
349	Y	98.2	Very high	92.5	Very high	3 Å²	3	17.7 Å²	17.7	1%	0.012	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	160.2	172.4	54.8	-90.5	0	0	0	110.6	F278 G307 Y344 I351 L376	F278-Y349 HydrophobicContact CB-CD1 4.24Å; F278-Y349 HydrophobicContact CB-CD2 3.84Å; F278-Y349 HydrophobicContact CB-CE1 3.79Å; F278-Y349 HydrophobicContact CB-CE2 3.35Å; F278-Y349 HydrophobicContact CB-CG 4.26Å; F278-Y349 HydrophobicContact CD1-CE2 4.06Å; F278-Y349 AromaticContact CD2-CD2 3.89Å; F278-Y349 HydrophobicContact CD2-CD2 3.89Å; F278-Y349 AromaticContact CD2-CE2 3.38Å; F278-Y349 HydrophobicContact CD2-CE2 3.38Å; F278-Y349 HydrophobicContact CE2-CE2 4.17Å; F278-Y349 HydrophobicContact CG-CD2 4.09Å; F278-Y349 AromaticContact CG-CE2 3.32Å; F278-Y349 HydrophobicContact CG-CE2 3.32Å; F278-Y349 AromaticContact CG-CZ 3.58Å; F278-Y349 PolarHBondContact N-O 3.05Å; F278-Y349 PolarHBondContact O-N 3.36Å; G307-Y349 CarbonylContact O-C 3.58Å; G307-Y349 WeakPolarHBondContact O-CA 3.23Å; G307-Y349 WeakPolarHBondContact O-CB 3.3Å; Y344-Y349 HydrophobicContact CD2-CG 4.49Å; Y349-I351 HydrophobicContact CD2-CD1 3.85Å; Y349-I351 HydrophobicContact CD2-CG1 3.88Å; Y349-I351 HydrophobicContact CE2-CD1 3.68Å; Y349-I351 HydrophobicContact CE2-CG1 4.18Å; Y349-L376 HydrophobicContact CD2-CD2 3.98Å; Y349-L376 HydrophobicContact CE1-CD2 4.25Å; Y349-L376 HydrophobicContact CE2-CD2 3.59Å; Y349-L376 HydrophobicContact CG-CD2 4.46Å
350	I	98.1	Very high	92.5	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.01	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137.4	-176.2	-58.1	176.2	0	0	0	108.5	L275 Y276 L277 F293 M305 N306 G307 L390 I393 I407	L275-I350 HydrophobicContact CD1-CG2 3.35Å; L275-I350 HydrophobicContact CD2-CG2 3.96Å; L275-I350 HydrophobicContact CG-CG2 3.7Å; Y276-I350 WeakPolarHBondContact O-CA 3.3Å; L277-I350 HydrophobicContact CB-CG1 4.41Å; L277-I350 HydrophobicContact CD1-CD1 4.29Å; L277-I350 HydrophobicContact CD1-CG1 4.05Å; L277-I350 HydrophobicContact CG-CG1 4.09Å; F293-I350 HydrophobicContact CD1-CD1 4.2Å; F293-I350 HydrophobicContact CE1-CD1 3.77Å; F293-I350 HydrophobicContact CZ-CD1 4.36Å; M305-I350 HydrophobicContact CE-CB 4.24Å; M305-I350 HydrophobicContact CE-CG2 3.96Å; M305-I350 HydrophobicContact SD-CG2 4.33Å; N306-I350 CarbonylContact C-O 3.52Å; N306-I350 WeakPolarHBondContact CA-O 3.13Å; G307-I350 PolarHBondContact N-O 2.86Å; G307-I350 PolarHBondContact O-N 3.2Å; I350-L390 HydrophobicContact CD1-CD1 4.11Å; I350-I393 HydrophobicContact CD1-CD1 4.24Å; I350-I393 HydrophobicContact CG1-CD1 4.22Å; I350-I407 HydrophobicContact CD1-CD1 3.95Å
351	I	97.6	Very high	91.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	123.8	178.2	-53.2	-175.6	0	0	0	108.4	Y276 F278 Y349 L355 V356 L359 L376 F380	Y276-I351 WeakPolarHBondContact CB-O 3Å; Y276-I351 PolarHBondContact N-O 3.5Å; Y276-I351 PolarHBondContact O-N 3.31Å; F278-I351 HydrophobicContact CD2-CD1 4.23Å; F278-I351 HydrophobicContact CD2-CG1 4.3Å; F278-I351 HydrophobicContact CE2-CB 4.28Å; F278-I351 HydrophobicContact CE2-CD1 3.91Å; F278-I351 HydrophobicContact CE2-CG1 4.16Å; Y349-I351 HydrophobicContact CD2-CD1 3.85Å; Y349-I351 HydrophobicContact CD2-CG1 3.88Å; Y349-I351 HydrophobicContact CE2-CD1 3.68Å; Y349-I351 HydrophobicContact CE2-CG1 4.18Å; I351-L355 HydrophobicContact CG2-CB 3.65Å; I351-V356 HydrophobicContact CB-CG2 4.08Å; I351-V356 HydrophobicContact CG2-CG2 3.61Å; I351-L359 HydrophobicContact CD1-CD1 3.71Å; I351-L359 HydrophobicContact CG2-CD1 3.91Å; I351-L376 HydrophobicContact CD1-CD1 4.4Å; I351-L376 HydrophobicContact CD1-CD2 4.45Å; I351-F380 HydrophobicContact CD1-CZ 4.22Å; I351-F380 HydrophobicContact CG1-CZ 4.47Å
352	G	96.3	Very high	91.4	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	150.7	172.8	0	0	0	0	0	111.9	L302 R303 M305 N354 L355 V356	L302-G352 WeakPolarHBondContact O-CA 3.47Å; R303-G352 CarbonylContact O-C 3.58Å; R303-G352 WeakPolarHBondContact O-CA 3.49Å; M305-G352 PolarHBondContact O-N 3.25Å; G352-N354 VanDerWaalsContact C-N 3.28Å; G352-N354 PolarHBondContact O-N 2.92Å; G352-L355 PolarHBondContact O-N 2.84Å; G352-V356 PolarHBondContact O-N 2.74Å
353	A	92.4	Very high	91.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-56.4	-38.1	-172.2	0	0	0	0	0	114.4	V273 P274 Y276 R303 L355 V356 H357	V273-A353 WeakPolarHBondContact O-CB 3.28Å; P274-A353 PolarHBondContact O-N 3.15Å; Y276-A353 HydrophobicContact CD2-CB 4.3Å; Y276-A353 HydrophobicContact CE2-CB 3.69Å; R303-A353 PolarHBondContact O-N 3.5Å; A353-L355 PolarHBondContact O-N 3.44Å; A353-V356 PolarHBondContact O-N 3.4Å; A353-H357 PolarHBondContact O-CD2 2.87Å
354	N	88.9	Confident	90.2	Very high	47 Å²	47	11.6 Å²	11.6	25%	0.251	6%	0.058	S	C	.	.	H	α-helix	trans	-66	-27.5	179.5	-63.2	-9.2	0	0	0	111.9	R303 N304 G352 R358	R303-N354 PolarHBondContact NH2-OD1 3.16Å; R303-N354 WeakPolarHBondContact O-CB 3.21Å; R303-N354 PolarHBondContact O-N 3.47Å; N304-N354 PolarHBondContact OD1-ND2 3.18Å; G352-N354 VanDerWaalsContact C-N 3.28Å; G352-N354 PolarHBondContact O-N 2.92Å; N354-R358 WeakPolarHBondContact O-CG 3.39Å
355	L	93.4	Very high	89.2	Confident	8 Å²	8	12.1 Å²	12.1	4%	0.042	6%	0.061	C	C	.	.	H	α-helix	trans	-82.4	-30.5	177.9	-60.7	-170.2	0	0	0	112.8	N304 M305 N306 I351 G352 A353 H357 R358 L359 F380 I385	N304-L355 WeakPolarHBondContact O-CD1 3.17Å; M305-L355 WeakPolarHBondContact O-CD1 3.24Å; N306-L355 HydrophobicContact CB-CD1 3.72Å; I351-L355 HydrophobicContact CG2-CB 3.65Å; G352-L355 PolarHBondContact O-N 2.84Å; A353-L355 PolarHBondContact O-N 3.44Å; L355-H357 VanDerWaalsContact C-N 3.31Å; L355-H357 PolarHBondContact O-N 2.94Å; L355-R358 PolarHBondContact O-N 3.04Å; L355-L359 WeakPolarHBondContact O-CB 3.41Å; L355-L359 VanDerWaalsContact O-CG 3.22Å; L355-L359 WeakPolarHBondContact O-CG 3.27Å; L355-L359 PolarHBondContact O-N 3.44Å; L355-F380 HydrophobicContact CD1-CE1 4.47Å; L355-I385 HydrophobicContact CD1-CG2 4.42Å; L355-I385 HydrophobicContact CD2-CD1 3.84Å
356	V	92.8	Very high	88.6	Confident	0 Å²	0	11 Å²	11	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-58.9	-44	178.1	169.6	0	0	0	0	111.3	L262 L265 Y276 I351 G352 A353 L359 A360	L262-V356 HydrophobicContact CD2-CG1 4.19Å; L262-V356 HydrophobicContact CD2-CG2 4.46Å; L265-V356 HydrophobicContact CB-CG1 3.63Å; L265-V356 HydrophobicContact CD1-CG1 4.06Å; L265-V356 HydrophobicContact CD1-CG2 4.42Å; Y276-V356 HydrophobicContact CD2-CB 4.24Å; Y276-V356 HydrophobicContact CD2-CG2 3.46Å; Y276-V356 VanDerWaalsContact CD2-CG2 3.46Å; Y276-V356 HydrophobicContact CE2-CB 4.39Å; Y276-V356 HydrophobicContact CE2-CG2 4.1Å; Y276-V356 HydrophobicContact CG-CG2 4.17Å; I351-V356 HydrophobicContact CB-CG2 4.08Å; I351-V356 HydrophobicContact CG2-CG2 3.61Å; G352-V356 PolarHBondContact O-N 2.74Å; A353-V356 PolarHBondContact O-N 3.4Å; V356-L359 PolarHBondContact O-N 3.09Å; V356-A360 WeakPolarHBondContact O-CB 3.46Å; V356-A360 PolarHBondContact O-N 3.19Å
357	H	82.8	Confident	88.2	Confident	24 Å²	24	15.8 Å²	15.8	11%	0.111	8%	0.075	C	C	.	.	H	α-helix	trans	-60.4	-49	176.4	-64	-63.6	0	0	0	111.8	S266 A353 L355 L359 A360 T361	S266-H357 WeakPolarHBondContact CA-ND1 3.25Å; S266-H357 PolarHBondContact O-CE1 3.42Å; S266-H357 VanDerWaalsContact O-CE1 3.29Å; S266-H357 PolarHBondContact O-ND1 2.99Å; S266-H357 PolarHBondContact OG-ND1 3.5Å; A353-H357 PolarHBondContact O-CD2 2.87Å; L355-H357 VanDerWaalsContact C-N 3.31Å; L355-H357 PolarHBondContact O-N 2.94Å; H357-L359 VanDerWaalsContact C-N 3.31Å; H357-L359 PolarHBondContact O-N 2.97Å; H357-A360 PolarHBondContact O-N 2.83Å; H357-T361 PolarHBondContact O-N 2.63Å; H357-T361 PolarHBondContact O-OG1 3.46Å
358	R	86.1	Confident	87.8	Confident	69 Å²	69	17.4 Å²	17.4	26%	0.26	8%	0.082	S	C	.	.	H	α-helix	trans	-60.3	-40.4	178.5	-64.3	176.1	66.9	-164.1	-0.6	112.1	L116 N354 L355 A362 L383	L116-R358 HydrophobicContact CD2-CB 4.49Å; L116-R358 HydrophobicContact CD2-CG 4.46Å; N354-R358 WeakPolarHBondContact O-CG 3.39Å; L355-R358 PolarHBondContact O-N 3.04Å; R358-A362 VanDerWaalsContact O-CB 3.23Å; R358-A362 WeakPolarHBondContact O-CB 3.34Å; R358-A362 PolarHBondContact O-N 3.19Å; R358-L383 HydrophobicContact CB-CD1 4.05Å; R358-L383 PolarHBondContact NH2-O 3.34Å
359	L	91.8	Very high	87.2	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-69.1	-42.5	177.3	-69.8	168	0	0	0	112.2	L262 I351 L355 V356 H357 T361 A362 S363 L376 L379 F380 L383	L262-L359 HydrophobicContact CD1-CB 4.13Å; L262-L359 HydrophobicContact CD2-CB 4.28Å; L262-L359 HydrophobicContact CD2-CD1 4.36Å; I351-L359 HydrophobicContact CD1-CD1 3.71Å; I351-L359 HydrophobicContact CG2-CD1 3.91Å; L355-L359 WeakPolarHBondContact O-CB 3.41Å; L355-L359 VanDerWaalsContact O-CG 3.22Å; L355-L359 WeakPolarHBondContact O-CG 3.27Å; L355-L359 PolarHBondContact O-N 3.44Å; V356-L359 PolarHBondContact O-N 3.09Å; H357-L359 VanDerWaalsContact C-N 3.31Å; H357-L359 PolarHBondContact O-N 2.97Å; L359-T361 VanDerWaalsContact C-N 3.33Å; L359-T361 PolarHBondContact O-N 3.23Å; L359-A362 PolarHBondContact O-N 3.23Å; L359-S363 WeakPolarHBondContact O-CB 3.48Å; L359-S363 PolarHBondContact O-N 3.27Å; L359-L376 HydrophobicContact CD1-CD1 4.07Å; L359-L376 HydrophobicContact CD2-CD1 4.09Å; L359-L379 HydrophobicContact CD2-CB 3.57Å; L359-L379 HydrophobicContact CD2-CD1 4.11Å; L359-F380 HydrophobicContact CD1-CE1 3.92Å; L359-F380 HydrophobicContact CD1-CZ 4.02Å; L359-F380 HydrophobicContact CD2-CD1 4.1Å; L359-F380 HydrophobicContact CD2-CE1 4.08Å; L359-F380 HydrophobicContact CG-CE1 4.44Å; L359-L383 HydrophobicContact CD2-CD1 3.86Å; L359-L383 HydrophobicContact CG-CD1 4.33Å
360	A	86.3	Confident	86.7	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.6	-45.5	175.2	0	0	0	0	0	110.8	L262 R263 V356 H357 S363	L262-A360 HydrophobicContact CB-CB 4.31Å; R263-A360 HydrophobicContact CG-CB 4.35Å; V356-A360 WeakPolarHBondContact O-CB 3.46Å; V356-A360 PolarHBondContact O-N 3.19Å; H357-A360 PolarHBondContact O-N 2.83Å; A360-S363 PolarHBondContact O-N 3.3Å; A360-S363 PolarHBondContact O-OG 2.7Å
361	T	77.9	Confident	86.3	Confident	17 Å²	17	19.6 Å²	19.6	10%	0.104	9%	0.092	C	C	.	.	H	α-helix	trans	-62.7	-53.5	174.9	-64.1	0	0	0	0	111.9	L104 L116 H357 L359 S363 A364 F365	L104-T361 HydrophobicContact CD2-CG2 3.48Å; L104-T361 VanDerWaalsContact CD2-CG2 3.48Å; L104-T361 HydrophobicContact CG-CG2 4.44Å; L116-T361 HydrophobicContact CD2-CG2 3.75Å; H357-T361 PolarHBondContact O-N 2.63Å; H357-T361 PolarHBondContact O-OG1 3.46Å; L359-T361 VanDerWaalsContact C-N 3.33Å; L359-T361 PolarHBondContact O-N 3.23Å; T361-S363 PolarHBondContact O-N 2.67Å; T361-S363 VanDerWaalsContact O-N 3.15Å; T361-A364 WeakPolarHBondContact O-CB 3.35Å; T361-A364 PolarHBondContact O-N 2.9Å; T361-A364 VanDerWaalsContact O-N 3.08Å; T361-F365 HydrophobicContact CG2-CE2 4.14Å; T361-F365 VanDerWaalsContact O-CD2 3.27Å; T361-F365 WeakPolarHBondContact O-CD2 3.47Å
362	A	81.8	Confident	86.1	Confident	1 Å²	1	20 Å²	20	1%	0.008	9%	0.094	C	C	.	.	H	α-helix	trans	-58.2	-31.8	-179.7	0	0	0	0	0	112.6	R358 L359 A364 F365 V366 L379 L383	R358-A362 VanDerWaalsContact O-CB 3.23Å; R358-A362 WeakPolarHBondContact O-CB 3.34Å; R358-A362 PolarHBondContact O-N 3.19Å; L359-A362 PolarHBondContact O-N 3.23Å; A362-A364 PolarHBondContact O-N 3.47Å; A362-A364 VanDerWaalsContact O-N 3.15Å; A362-F365 PolarHBondContact O-N 3.31Å; A362-V366 WeakPolarHBondContact O-CG2 3.5Å; A362-V366 PolarHBondContact O-N 3.11Å; A362-L379 HydrophobicContact CB-CD2 4.05Å; A362-L383 HydrophobicContact CB-CD1 4Å; A362-L383 HydrophobicContact CB-CD2 4.02Å; A362-L383 HydrophobicContact CB-CG 4.07Å
363	S	87	Confident	86	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.2	178.9	78.9	0	0	0	0	114.1	N127 L359 A360 T361 F365 Y375	N127-S363 PolarHBondContact ND2-O 2.9Å; N127-S363 PolarHBondContact OD1-O 3.31Å; L359-S363 WeakPolarHBondContact O-CB 3.48Å; L359-S363 PolarHBondContact O-N 3.27Å; A360-S363 PolarHBondContact O-N 3.3Å; A360-S363 PolarHBondContact O-OG 2.7Å; T361-S363 PolarHBondContact O-N 2.67Å; T361-S363 VanDerWaalsContact O-N 3.15Å; S363-F365 VanDerWaalsContact C-N 3.33Å; S363-Y375 WeakPolarHBondContact CA-OH 3.49Å; S363-Y375 PolarHBondContact O-OH 3Å; S363-Y375 VanDerWaalsContact O-OH 3.1Å
364	A	76.3	Confident	86	Confident	9 Å²	9	21.4 Å²	21.4	7%	0.074	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-18.1	176.9	0	0	0	0	0	113.4	P125 I126 N127 T361 A362	P125-A364 CarbonylContact C-O 3.56Å; P125-A364 VanDerWaalsContact CA-O 3.28Å; P125-A364 WeakPolarHBondContact CA-O 3.32Å; P125-A364 HydrophobicContact CB-CB 4.32Å; P125-A364 WeakPolarHBondContact CB-O 3.38Å; I126-A364 PolarHBondContact N-O 2.94Å; N127-A364 PolarHBondContact N-O 2.89Å; N127-A364 VanDerWaalsContact OD1-C 3.29Å; N127-A364 PolarHBondContact OD1-O 3.34Å; N127-A364 VanDerWaalsContact OD1-O 3.13Å; T361-A364 WeakPolarHBondContact O-CB 3.35Å; T361-A364 PolarHBondContact O-N 2.9Å; T361-A364 VanDerWaalsContact O-N 3.08Å; A362-A364 PolarHBondContact O-N 3.47Å; A362-A364 VanDerWaalsContact O-N 3.15Å
365	F	75.3	Confident	86.3	Confident	14 Å²	14	19.1 Å²	19.1	6%	0.061	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-0.6	-173.9	-57.6	-79.1	0	0	0	113.5	L104 F120 M123 P125 I126 T361 A362 S363	L104-F365 HydrophobicContact CD1-CE2 4.23Å; L104-F365 HydrophobicContact CD1-CZ 3.92Å; L104-F365 HydrophobicContact CD2-CE2 4.43Å; F120-F365 HydrophobicContact CB-CD1 4.32Å; F120-F365 HydrophobicContact CB-CD2 4.17Å; F120-F365 HydrophobicContact CB-CE1 3.92Å; F120-F365 HydrophobicContact CB-CE2 3.77Å; F120-F365 HydrophobicContact CB-CG 4.44Å; F120-F365 HydrophobicContact CB-CZ 3.63Å; F120-F365 HydrophobicContact CD1-CB 3.78Å; F120-F365 AromaticContact CD1-CD1 3.72Å; F120-F365 HydrophobicContact CD1-CD1 3.72Å; F120-F365 AromaticContact CD1-CD2 3.69Å; F120-F365 HydrophobicContact CD1-CD2 3.69Å; F120-F365 HydrophobicContact CD1-CE1 4.2Å; F120-F365 HydrophobicContact CD1-CE2 4.19Å; F120-F365 AromaticContact CD1-CG 3.44Å; F120-F365 HydrophobicContact CD1-CG 3.44Å; F120-F365 VanDerWaalsContact CD1-CG 3.44Å; F120-F365 HydrophobicContact CD1-CZ 4.42Å; F120-F365 AromaticContact CD2-CD2 3.97Å; F120-F365 HydrophobicContact CD2-CD2 3.97Å; F120-F365 HydrophobicContact CD2-CE2 4.12Å; F120-F365 HydrophobicContact CE1-CB 3.52Å; F120-F365 HydrophobicContact CE1-CD1 4.35Å; F120-F365 HydrophobicContact CE1-CD2 4.01Å; F120-F365 AromaticContact CE1-CG 3.71Å; F120-F365 HydrophobicContact CE1-CG 3.71Å; F120-F365 HydrophobicContact CE2-CD2 4.27Å; F120-F365 HydrophobicContact CG-CD1 4.21Å; F120-F365 AromaticContact CG-CD2 3.69Å; F120-F365 HydrophobicContact CG-CD2 3.69Å; F120-F365 HydrophobicContact CG-CE1 4.29Å; F120-F365 AromaticContact CG-CE2 3.79Å; F120-F365 HydrophobicContact CG-CE2 3.79Å; F120-F365 AromaticContact CG-CG 3.92Å; F120-F365 HydrophobicContact CG-CG 3.92Å; F120-F365 HydrophobicContact CG-CZ 4.09Å; F120-F365 HydrophobicContact CZ-CB 4.17Å; F120-F365 HydrophobicContact CZ-CD2 4.29Å; F120-F365 HydrophobicContact CZ-CG 4.39Å; M123-F365 HydrophobicContact CB-CD1 4.18Å; M123-F365 HydrophobicContact CB-CE1 4.2Å; M123-F365 WeakPolarHBondContact O-CE1 3.44Å; P125-F365 HydrophobicContact CB-CE1 4.44Å; P125-F365 HydrophobicContact CG-CE1 4.06Å; P125-F365 HydrophobicContact CG-CZ 4.35Å; I126-F365 WeakPolarHBondContact CD1-O 3.1Å; T361-F365 HydrophobicContact CG2-CE2 4.14Å; T361-F365 VanDerWaalsContact O-CD2 3.27Å; T361-F365 WeakPolarHBondContact O-CD2 3.47Å; A362-F365 PolarHBondContact O-N 3.31Å; S363-F365 VanDerWaalsContact C-N 3.33Å
366	V	78.3	Confident	86.4	Confident	16 Å²	16	18.9 Å²	18.9	10%	0.097	9%	0.088	C	C	.	.	S	Bend	trans	-119.6	111.7	-179.5	178.4	0	0	0	0	108.6	N127 A362 E368 Y375 I378 L379 K382	N127-V366 PolarHBondContact ND2-O 3.02Å; N127-V366 PolarHBondContact OD1-N 3.45Å; N127-V366 PolarHBondContact OD1-O 3.07Å; N127-V366 VanDerWaalsContact OD1-O 3.05Å; A362-V366 WeakPolarHBondContact O-CG2 3.5Å; A362-V366 PolarHBondContact O-N 3.11Å; V366-E368 PolarHBondContact O-N 2.49Å; V366-Y375 HydrophobicContact CB-CE2 4.33Å; V366-Y375 HydrophobicContact CG1-CE2 3.85Å; V366-Y375 VanDerWaalsContact O-CE2 3.31Å; V366-Y375 WeakPolarHBondContact O-CE2 3.49Å; V366-Y375 PolarHBondContact O-OH 3.42Å; V366-I378 HydrophobicContact CG1-CG2 3.71Å; V366-L379 HydrophobicContact CB-CD2 3.73Å; V366-L379 HydrophobicContact CG1-CD2 4.07Å; V366-L379 HydrophobicContact CG2-CD2 3.84Å; V366-K382 HydrophobicContact CG2-CB 4.42Å; V366-K382 HydrophobicContact CG2-CG 4.18Å
367	K	80.2	Confident	86.5	Confident	111 Å²	111	19 Å²	19	48%	0.483	9%	0.089	S	C	.	.			trans	-43.3	120.3	179.2	-177.8	-175.4	175.9	-168.6	0	111.9	I126 K333 Y375	I126-K367 HydrophobicContact CG2-CB 4.47Å; K333-K367 PolarHBondContact O-NZ 3.32Å; K367-Y375 WeakPolarHBondContact O-CE2 3.38Å
368	E	84	Confident	86.9	Confident	45 Å²	45	18.7 Å²	18.7	21%	0.21	9%	0.088	C	C	.	.			trans	-59	138.4	178.1	-164.9	-171.6	156.9	0	0	111.9	N127 T255 K256 I259 V366	N127-E368 PolarHBondContact ND2-N 3.5Å; T255-E368 HydrophobicContact CG2-CG 3.54Å; K256-E368 WeakPolarHBondContact CG-OE1 3.16Å; K256-E368 PolarHBondContact N-OE1 2.85Å; I259-E368 HydrophobicContact CD1-CG 4.3Å; V366-E368 PolarHBondContact O-N 2.49Å
369	I	86.4	Confident	87.3	Confident	8 Å²	8	15.4 Å²	15.4	4%	0.041	8%	0.076	C	C	.	.			trans	-120.6	157.3	167.2	66.2	166.3	0	0	0	110	T255 M330 F335 Y340 I371 A374 Y375 I378	T255-I369 WeakPolarHBondContact CB-O 3.14Å; T255-I369 WeakPolarHBondContact CG2-O 3.36Å; T255-I369 PolarHBondContact OG1-O 2.78Å; M330-I369 HydrophobicContact CE-CB 3.52Å; M330-I369 HydrophobicContact CE-CD1 4.27Å; M330-I369 HydrophobicContact CE-CG1 4.46Å; M330-I369 HydrophobicContact CE-CG2 3.63Å; M330-I369 HydrophobicContact SD-CB 4.18Å; M330-I369 HydrophobicContact SD-CD1 3.97Å; F335-I369 HydrophobicContact CD2-CG2 4.49Å; Y340-I369 HydrophobicContact CE1-CD1 3.97Å; I369-I371 VanDerWaalsContact C-N 3.26Å; I369-I371 PolarHBondContact O-N 2.8Å; I369-A374 HydrophobicContact CD1-CB 4.05Å; I369-Y375 HydrophobicContact CG1-CD2 4.01Å; I369-Y375 HydrophobicContact CG1-CG 4.3Å; I369-I378 HydrophobicContact CD1-CD1 3.72Å; I369-I378 HydrophobicContact CG1-CD1 4.43Å
370	R	86	Confident	87.4	Confident	22 Å²	22	15.5 Å²	15.5	8%	0.083	8%	0.076	C	C	.	.	S	Bend	trans	-69.7	-15.4	-174.4	-67.8	-179.6	-72.3	123.7	2.9	115.4	Y252 A329 E334	Y252-R370 HydrophobicContact CD1-CB 4.46Å; A329-R370 PolarHBondContact O-NH2 3.38Å; E334-R370 IonicContact OE1-CZ 2.78Å; E334-R370 IonicContact OE1-NE 3.86Å; E334-R370 PolarHBondContact OE1-NE 2.96Å; E334-R370 IonicContact OE1-NH2 3.92Å; E334-R370 PolarHBondContact OE1-NH2 3.48Å; E334-R370 IonicContact OE2-CZ 3.31Å; E334-R370 IonicContact OE2-NE 2.76Å; E334-R370 IonicContact OE2-NH2 2.92Å; E334-R370 PolarHBondContact OE2-NH2 2.84Å
371	I	90.7	Very high	87.6	Confident	21 Å²	21	20.2 Å²	20.2	11%	0.108	10%	0.101	C	C	.	.			trans	-99.3	109.1	-178.1	-58.2	-176	0	0	0	108.4	W328 M330 I369 D373 A374 Y375	W328-I371 HydrophobicContact CB-CD1 4.29Å; W328-I371 WeakPolarHBondContact O-CD1 3.33Å; M330-I371 HydrophobicContact CG-CD1 4.1Å; M330-I371 HydrophobicContact SD-CD1 4.04Å; M330-I371 HydrophobicContact SD-CG1 4.21Å; I369-I371 VanDerWaalsContact C-N 3.26Å; I369-I371 PolarHBondContact O-N 2.8Å; I371-D373 WeakPolarHBondContact CG2-OD1 3.29Å; I371-A374 HydrophobicContact CB-CB 4.06Å; I371-A374 HydrophobicContact CG2-CB 3.59Å; I371-Y375 VanDerWaalsContact O-CB 3.28Å; I371-Y375 WeakPolarHBondContact O-CB 3.45Å; I371-Y375 PolarHBondContact O-N 2.84Å
372	D	93.2	Very high	88	Confident	8 Å²	8	25.1 Å²	25.1	4%	0.043	12%	0.121	C	C	.	.	H	α-helix	trans	-68.4	-43	-169.8	62.3	-41.2	0	0	0	112.9	K157 L254 T255 M258 Y375 L376	K157-D372 IonicContact NZ-OD2 3.31Å; K157-D372 PolarHBondContact NZ-OD2 3.19Å; L254-D372 HydrophobicContact CB-CB 4.02Å; T255-D372 WeakPolarHBondContact OG1-CA 3.24Å; T255-D372 PolarHBondContact OG1-N 2.6Å; M258-D372 HydrophobicContact CB-CB 4.33Å; M258-D372 WeakPolarHBondContact CE-O 3.44Å; M258-D372 HydrophobicContact SD-CB 4.25Å; D372-Y375 PolarHBondContact O-N 3.04Å; D372-L376 WeakPolarHBondContact O-CB 3.26Å; D372-L376 PolarHBondContact O-N 3.38Å
373	D	93.9	Very high	88.3	Confident	29 Å²	29	25.7 Å²	25.7	16%	0.155	12%	0.124	C	C	.	.	H	α-helix	trans	-68.6	-44.3	179.9	61.8	-5.6	0	0	0	112.6	Y343 Y344 G346 I371 Y375 L376 G377	Y343-D373 VanDerWaalsContact CB-O 3.29Å; Y343-D373 WeakPolarHBondContact CB-O 3.18Å; Y343-D373 HydrophobicContact CD2-CB 3.99Å; Y343-D373 HydrophobicContact CE2-CB 4.44Å; Y344-D373 VanDerWaalsContact O-CB 3.32Å; Y344-D373 WeakPolarHBondContact O-CB 3.45Å; G346-D373 PolarHBondContact N-OD2 3.39Å; I371-D373 WeakPolarHBondContact CG2-OD1 3.29Å; D373-Y375 VanDerWaalsContact C-N 3.33Å; D373-Y375 PolarHBondContact O-N 3.39Å; D373-L376 WeakPolarHBondContact O-CB 3.46Å; D373-L376 PolarHBondContact O-N 3.29Å; D373-G377 PolarHBondContact O-N 2.93Å
374	A	93.4	Very high	88.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.3	-40.2	170.8	0	0	0	0	0	112.1	Y340 I369 I371 G377 I378	Y340-A374 HydrophobicContact CD1-CB 3.79Å; Y340-A374 HydrophobicContact CD2-CB 4.35Å; Y340-A374 HydrophobicContact CE1-CB 3.95Å; Y340-A374 HydrophobicContact CE2-CB 4.49Å; Y340-A374 HydrophobicContact CG-CB 3.99Å; I369-A374 HydrophobicContact CD1-CB 4.05Å; I371-A374 HydrophobicContact CB-CB 4.06Å; I371-A374 HydrophobicContact CG2-CB 3.59Å; A374-G377 PolarHBondContact O-N 3.41Å; A374-I378 WeakPolarHBondContact O-CG1 3.41Å; A374-I378 PolarHBondContact O-N 3.42Å
375	Y	94.3	Very high	89.3	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.1	-43.2	175.2	-177.1	-107.9	0	0	0	111.7	N127 T255 M258 I259 S363 V366 K367 I369 I371 D372 D373 G377 I378 L379	N127-Y375 PolarHBondContact ND2-OH 2.88Å; T255-Y375 HydrophobicContact CG2-CD1 3.35Å; T255-Y375 HydrophobicContact CG2-CD2 4.32Å; T255-Y375 HydrophobicContact CG2-CE1 3.91Å; T255-Y375 HydrophobicContact CG2-CG 3.58Å; M258-Y375 HydrophobicContact CE-CD1 3.59Å; M258-Y375 HydrophobicContact CE-CE1 4.33Å; I259-Y375 HydrophobicContact CD1-CD1 4.41Å; I259-Y375 HydrophobicContact CD1-CE1 3.6Å; I259-Y375 HydrophobicContact CG1-CE1 3.84Å; S363-Y375 WeakPolarHBondContact CA-OH 3.49Å; S363-Y375 PolarHBondContact O-OH 3Å; S363-Y375 VanDerWaalsContact O-OH 3.1Å; V366-Y375 HydrophobicContact CB-CE2 4.33Å; V366-Y375 HydrophobicContact CG1-CE2 3.85Å; V366-Y375 VanDerWaalsContact O-CE2 3.31Å; V366-Y375 WeakPolarHBondContact O-CE2 3.49Å; V366-Y375 PolarHBondContact O-OH 3.42Å; K367-Y375 WeakPolarHBondContact O-CE2 3.38Å; I369-Y375 HydrophobicContact CG1-CD2 4.01Å; I369-Y375 HydrophobicContact CG1-CG 4.3Å; I371-Y375 VanDerWaalsContact O-CB 3.28Å; I371-Y375 WeakPolarHBondContact O-CB 3.45Å; I371-Y375 PolarHBondContact O-N 2.84Å; D372-Y375 PolarHBondContact O-N 3.04Å; D373-Y375 VanDerWaalsContact C-N 3.33Å; D373-Y375 PolarHBondContact O-N 3.39Å; Y375-G377 VanDerWaalsContact C-N 3.3Å; Y375-G377 PolarHBondContact O-N 2.86Å; Y375-I378 WeakPolarHBondContact O-CA 3.33Å; Y375-I378 WeakPolarHBondContact O-CB 3.43Å; Y375-I378 PolarHBondContact O-N 3.33Å; Y375-I378 VanDerWaalsContact O-N 3.08Å; Y375-L379 HydrophobicContact CD1-CD1 4.11Å; Y375-L379 HydrophobicContact CD1-CG 4.28Å; Y375-L379 HydrophobicContact CE1-CD1 3.68Å; Y375-L379 HydrophobicContact CE1-CD2 4.11Å; Y375-L379 HydrophobicContact CE1-CG 3.95Å; Y375-L379 HydrophobicContact CE2-CD2 4.46Å; Y375-L379 PolarHBondContact O-N 3.37Å
376	L	95.7	Very high	90.1	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-59.4	-41.4	175.2	-175.3	60.5	0	0	0	111.6	M258 Y349 I351 L359 D372 D373 I378 L379 F380	M258-L376 HydrophobicContact CE-CB 3.97Å; M258-L376 HydrophobicContact CE-CD1 4.44Å; M258-L376 HydrophobicContact SD-CB 3.85Å; M258-L376 HydrophobicContact SD-CD1 4.29Å; M258-L376 HydrophobicContact SD-CD2 4.21Å; M258-L376 HydrophobicContact SD-CG 4.33Å; Y349-L376 HydrophobicContact CD2-CD2 3.98Å; Y349-L376 HydrophobicContact CE1-CD2 4.25Å; Y349-L376 HydrophobicContact CE2-CD2 3.59Å; Y349-L376 HydrophobicContact CG-CD2 4.46Å; I351-L376 HydrophobicContact CD1-CD1 4.4Å; I351-L376 HydrophobicContact CD1-CD2 4.45Å; L359-L376 HydrophobicContact CD1-CD1 4.07Å; L359-L376 HydrophobicContact CD2-CD1 4.09Å; D372-L376 WeakPolarHBondContact O-CB 3.26Å; D372-L376 PolarHBondContact O-N 3.38Å; D373-L376 WeakPolarHBondContact O-CB 3.46Å; D373-L376 PolarHBondContact O-N 3.29Å; L376-I378 VanDerWaalsContact C-N 3.33Å; L376-I378 PolarHBondContact O-N 3.44Å; L376-L379 WeakPolarHBondContact O-CB 3.5Å; L376-L379 PolarHBondContact O-N 3.45Å; L376-F380 HydrophobicContact CD1-CD2 4.28Å; L376-F380 HydrophobicContact CD1-CE2 3.81Å; L376-F380 HydrophobicContact CD1-CZ 4.23Å; L376-F380 HydrophobicContact CD2-CE2 3.96Å; L376-F380 HydrophobicContact CG-CD2 3.94Å; L376-F380 HydrophobicContact CG-CE2 3.53Å; L376-F380 HydrophobicContact CG-CZ 4.37Å; L376-F380 WeakPolarHBondContact O-CD2 3.41Å; L376-F380 PolarHBondContact O-N 3.44Å
377	G	94.7	Very high	91	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-61.1	-38.3	172.5	0	0	0	0	0	113.6	P342 D373 A374 Y375 F380 N381	P342-G377 WeakPolarHBondContact O-CA 3.12Å; D373-G377 PolarHBondContact O-N 2.93Å; A374-G377 PolarHBondContact O-N 3.41Å; Y375-G377 VanDerWaalsContact C-N 3.3Å; Y375-G377 PolarHBondContact O-N 2.86Å; G377-F380 PolarHBondContact O-N 2.9Å; G377-N381 WeakPolarHBondContact O-CB 3.37Å; G377-N381 PolarHBondContact O-N 2.97Å
378	I	92.3	Very high	91.8	Very high	18 Å²	18	36 Å²	36	9%	0.092	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-42.9	173.5	-64.2	163.8	0	0	0	110.6	F335 P341 V366 I369 A374 Y375 L376 N381 K382	F335-I378 HydrophobicContact CD2-CD1 4.08Å; F335-I378 HydrophobicContact CE2-CD1 3.54Å; F335-I378 HydrophobicContact CE2-CG1 4.28Å; F335-I378 HydrophobicContact CZ-CD1 4.4Å; P341-I378 HydrophobicContact CG-CB 4.43Å; P341-I378 HydrophobicContact CG-CG1 3.79Å; V366-I378 HydrophobicContact CG1-CG2 3.71Å; I369-I378 HydrophobicContact CD1-CD1 3.72Å; I369-I378 HydrophobicContact CG1-CD1 4.43Å; A374-I378 WeakPolarHBondContact O-CG1 3.41Å; A374-I378 PolarHBondContact O-N 3.42Å; Y375-I378 WeakPolarHBondContact O-CA 3.33Å; Y375-I378 WeakPolarHBondContact O-CB 3.43Å; Y375-I378 PolarHBondContact O-N 3.33Å; Y375-I378 VanDerWaalsContact O-N 3.08Å; L376-I378 VanDerWaalsContact C-N 3.33Å; L376-I378 PolarHBondContact O-N 3.44Å; I378-N381 PolarHBondContact O-N 3.47Å; I378-K382 HydrophobicContact CG2-CG 4.18Å; I378-K382 WeakPolarHBondContact O-CB 3.39Å; I378-K382 VanDerWaalsContact O-CG 3.3Å; I378-K382 WeakPolarHBondContact O-CG 3.26Å; I378-K382 PolarHBondContact O-N 3.44Å
379	L	93.3	Very high	92.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-48.1	176.5	-64	-178.6	0	0	0	111.4	L359 A362 V366 Y375 L376 N381 K382 L383	L359-L379 HydrophobicContact CD2-CB 3.57Å; L359-L379 HydrophobicContact CD2-CD1 4.11Å; A362-L379 HydrophobicContact CB-CD2 4.05Å; V366-L379 HydrophobicContact CB-CD2 3.73Å; V366-L379 HydrophobicContact CG1-CD2 4.07Å; V366-L379 HydrophobicContact CG2-CD2 3.84Å; Y375-L379 HydrophobicContact CD1-CD1 4.11Å; Y375-L379 HydrophobicContact CD1-CG 4.28Å; Y375-L379 HydrophobicContact CE1-CD1 3.68Å; Y375-L379 HydrophobicContact CE1-CD2 4.11Å; Y375-L379 HydrophobicContact CE1-CG 3.95Å; Y375-L379 HydrophobicContact CE2-CD2 4.46Å; Y375-L379 PolarHBondContact O-N 3.37Å; L376-L379 WeakPolarHBondContact O-CB 3.5Å; L376-L379 PolarHBondContact O-N 3.45Å; L379-N381 VanDerWaalsContact C-N 3.34Å; L379-N381 PolarHBondContact O-N 3.37Å; L379-K382 PolarHBondContact O-N 3.35Å; L379-L383 WeakPolarHBondContact O-CB 3.43Å; L379-L383 VanDerWaalsContact O-CG 3.27Å; L379-L383 WeakPolarHBondContact O-CG 3.49Å; L379-L383 PolarHBondContact O-N 3.34Å
380	F	95	Very high	92.8	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.009	20%	0.198	C	C	.	.	H	α-helix	trans	-58.1	-45.6	175.8	-74.4	-57.1	0	0	0	111.9	N306 Y344 I351 L355 L359 L376 G377 L383 N384 I385 L387	N306-F380 HydrophobicContact CB-CE1 3.92Å; N306-F380 HydrophobicContact CB-CZ 3.93Å; Y344-F380 HydrophobicContact CD2-CE2 4.13Å; Y344-F380 AromaticContact CE2-CE2 3.88Å; Y344-F380 HydrophobicContact CE2-CE2 3.88Å; Y344-F380 HydrophobicContact CE2-CZ 4.3Å; I351-F380 HydrophobicContact CD1-CZ 4.22Å; I351-F380 HydrophobicContact CG1-CZ 4.47Å; L355-F380 HydrophobicContact CD1-CE1 4.47Å; L359-F380 HydrophobicContact CD1-CE1 3.92Å; L359-F380 HydrophobicContact CD1-CZ 4.02Å; L359-F380 HydrophobicContact CD2-CD1 4.1Å; L359-F380 HydrophobicContact CD2-CE1 4.08Å; L359-F380 HydrophobicContact CG-CE1 4.44Å; L376-F380 HydrophobicContact CD1-CD2 4.28Å; L376-F380 HydrophobicContact CD1-CE2 3.81Å; L376-F380 HydrophobicContact CD1-CZ 4.23Å; L376-F380 HydrophobicContact CD2-CE2 3.96Å; L376-F380 HydrophobicContact CG-CD2 3.94Å; L376-F380 HydrophobicContact CG-CE2 3.53Å; L376-F380 HydrophobicContact CG-CZ 4.37Å; L376-F380 WeakPolarHBondContact O-CD2 3.41Å; L376-F380 PolarHBondContact O-N 3.44Å; G377-F380 PolarHBondContact O-N 2.9Å; F380-L383 CarbonylContact O-C 3.54Å; F380-L383 PolarHBondContact O-N 3.19Å; F380-N384 PolarHBondContact O-N 3.5Å; F380-N384 VanDerWaalsContact O-N 3.1Å; F380-I385 HydrophobicContact CB-CB 4.36Å; F380-I385 HydrophobicContact CD1-CB 3.87Å; F380-I385 HydrophobicContact CD1-CD1 3.96Å; F380-I385 HydrophobicContact CD1-CG2 3.67Å; F380-I385 HydrophobicContact CE1-CD1 4.47Å; F380-I385 HydrophobicContact CE1-CG2 4.19Å; F380-I385 PolarHBondContact O-N 2.96Å; F380-L387 HydrophobicContact CB-CD2 3.75Å; F380-L387 HydrophobicContact CD1-CD2 4.24Å; F380-L387 HydrophobicContact CD2-CD2 3.35Å; F380-L387 HydrophobicContact CE2-CD2 3.88Å; F380-L387 HydrophobicContact CG-CD2 3.54Å
381	N	90.2	Very high	93.2	Very high	99 Å²	99	43.6 Å²	43.6	53%	0.529	23%	0.23	S	C	.	.	H	α-helix	trans	-63	-43.7	177.8	-177.7	-103	0	0	0	112.6	P341 G377 I378 L379 L383 N384	P341-N381 HydrophobicContact CB-CB 3.87Å; P341-N381 HydrophobicContact CG-CB 4.15Å; G377-N381 WeakPolarHBondContact O-CB 3.37Å; G377-N381 PolarHBondContact O-N 2.97Å; I378-N381 PolarHBondContact O-N 3.47Å; L379-N381 VanDerWaalsContact C-N 3.34Å; L379-N381 PolarHBondContact O-N 3.37Å; N381-L383 VanDerWaalsContact C-N 3.27Å; N381-L383 PolarHBondContact O-N 3.48Å; N381-N384 PolarHBondContact O-N 3.46Å
382	K	86.9	Confident	93.5	Very high	120 Å²	120	44.3 Å²	44.3	52%	0.522	23%	0.234	S	C	.	.	H	α-helix	trans	-65.3	-29.9	177	-75.8	-71	-175.1	-179.3	0	113.2	V366 I378 L379 N384	V366-K382 HydrophobicContact CG2-CB 4.42Å; V366-K382 HydrophobicContact CG2-CG 4.18Å; I378-K382 HydrophobicContact CG2-CG 4.18Å; I378-K382 WeakPolarHBondContact O-CB 3.39Å; I378-K382 VanDerWaalsContact O-CG 3.3Å; I378-K382 WeakPolarHBondContact O-CG 3.26Å; I378-K382 PolarHBondContact O-N 3.44Å; L379-K382 PolarHBondContact O-N 3.35Å; K382-N384 VanDerWaalsContact C-N 3.3Å
383	L	88.2	Confident	93.7	Very high	14 Å²	14	44 Å²	44	7%	0.073	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	1	174.5	-69.4	173.7	0	0	0	113.4	L116 R358 L359 A362 L379 F380 N381 I385	L116-L383 HydrophobicContact CD1-CD2 3.4Å; R358-L383 HydrophobicContact CB-CD1 4.05Å; R358-L383 PolarHBondContact NH2-O 3.34Å; L359-L383 HydrophobicContact CD2-CD1 3.86Å; L359-L383 HydrophobicContact CG-CD1 4.33Å; A362-L383 HydrophobicContact CB-CD1 4Å; A362-L383 HydrophobicContact CB-CD2 4.02Å; A362-L383 HydrophobicContact CB-CG 4.07Å; L379-L383 WeakPolarHBondContact O-CB 3.43Å; L379-L383 VanDerWaalsContact O-CG 3.27Å; L379-L383 WeakPolarHBondContact O-CG 3.49Å; L379-L383 PolarHBondContact O-N 3.34Å; F380-L383 CarbonylContact O-C 3.54Å; F380-L383 PolarHBondContact O-N 3.19Å; N381-L383 VanDerWaalsContact C-N 3.27Å; N381-L383 PolarHBondContact O-N 3.48Å; L383-I385 HydrophobicContact CB-CD1 3.65Å; L383-I385 HydrophobicContact CB-CG1 3.91Å; L383-I385 HydrophobicContact CD1-CD1 3.88Å; L383-I385 HydrophobicContact CG-CD1 4.42Å; L383-I385 PolarHBondContact O-N 2.91Å
384	N	90.2	Very high	93.7	Very high	147 Å²	147	42.8 Å²	42.8	79%	0.786	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	37.2	-174.6	-161.8	34	0	0	0	113.4	F380 N381 K382	F380-N384 PolarHBondContact O-N 3.5Å; F380-N384 VanDerWaalsContact O-N 3.1Å; N381-N384 PolarHBondContact O-N 3.46Å; K382-N384 VanDerWaalsContact C-N 3.3Å
385	I	92.8	Very high	93.6	Very high	21 Å²	21	44.8 Å²	44.8	11%	0.108	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-94.6	123.2	177	-64.3	165.1	0	0	0	108.5	N306 L355 F380 L383	N306-I385 WeakPolarHBondContact ND2-CG2 3.35Å; L355-I385 HydrophobicContact CD1-CG2 4.42Å; L355-I385 HydrophobicContact CD2-CD1 3.84Å; F380-I385 HydrophobicContact CB-CB 4.36Å; F380-I385 HydrophobicContact CD1-CB 3.87Å; F380-I385 HydrophobicContact CD1-CD1 3.96Å; F380-I385 HydrophobicContact CD1-CG2 3.67Å; F380-I385 HydrophobicContact CE1-CD1 4.47Å; F380-I385 HydrophobicContact CE1-CG2 4.19Å; F380-I385 PolarHBondContact O-N 2.96Å; L383-I385 HydrophobicContact CB-CD1 3.65Å; L383-I385 HydrophobicContact CB-CG1 3.91Å; L383-I385 HydrophobicContact CD1-CD1 3.88Å; L383-I385 HydrophobicContact CG-CD1 4.42Å; L383-I385 PolarHBondContact O-N 2.91Å
386	T	93.5	Very high	93.2	Very high	116 Å²	116	49 Å²	49	71%	0.712	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-77.7	132.5	174.9	-60	0	0	0	0	110.1	N306	N306-T386 PolarHBondContact ND2-O 3.3Å; N306-T386 VanDerWaalsContact ND2-O 3.1Å
387	L	96.3	Very high	92.9	Very high	27 Å²	27	49.8 Å²	49.8	14%	0.141	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-76.1	137.8	177.4	-59.5	-169.8	0	0	0	111.6	N306 I310 P342 Y344 F380	N306-L387 WeakPolarHBondContact OD1-CA 3.4Å; N306-L387 WeakPolarHBondContact OD1-CD2 3.19Å; I310-L387 HydrophobicContact CD1-CB 3.72Å; I310-L387 HydrophobicContact CG1-CB 4.27Å; P342-L387 VanDerWaalsContact C-CD1 3.46Å; P342-L387 HydrophobicContact CB-CD1 4.02Å; P342-L387 VanDerWaalsContact O-CD1 3.28Å; P342-L387 WeakPolarHBondContact O-CD1 3.4Å; Y344-L387 HydrophobicContact CE1-CB 4.09Å; Y344-L387 HydrophobicContact CE1-CD1 4.39Å; Y344-L387 HydrophobicContact CE2-CD2 3.88Å; F380-L387 HydrophobicContact CB-CD2 3.75Å; F380-L387 HydrophobicContact CD1-CD2 4.24Å; F380-L387 HydrophobicContact CD2-CD2 3.35Å; F380-L387 HydrophobicContact CE2-CD2 3.88Å; F380-L387 HydrophobicContact CG-CD2 3.54Å
388	V	96.6	Very high	92.6	Very high	56 Å²	56	53.1 Å²	53.1	34%	0.339	29%	0.293	S	S	.	.			trans	-105.9	122.4	176.8	-173.4	0	0	0	0	109.7	N306 G307 G308 Y344 L390	N306-V388 VanDerWaalsContact O-CB 3.25Å; N306-V388 WeakPolarHBondContact O-CB 3.41Å; N306-V388 WeakPolarHBondContact O-CG2 3.42Å; G307-V388 WeakPolarHBondContact CA-O 3.47Å; G308-V388 PolarHBondContact N-O 2.91Å; Y344-V388 WeakPolarHBondContact CE1-O 3.45Å; Y344-V388 PolarHBondContact OH-N 2.9Å; Y344-V388 PolarHBondContact OH-O 3.34Å; V388-L390 HydrophobicContact CG1-CD2 4.37Å; V388-L390 PolarHBondContact O-N 3.35Å
389	H	96.7	Very high	92.3	Very high	76 Å²	76	55.9 Å²	55.9	35%	0.352	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-75.3	125.8	173.7	-167.8	89	0	0	0	110	G308 Y309 I310 N391	G308-H389 WeakPolarHBondContact O-CA 3.32Å; Y309-H389 AromaticContact CD2-CE1 3.37Å; Y309-H389 WeakPolarHBondContact CD2-CE1 3.31Å; Y309-H389 AromaticContact CD2-NE2 3.8Å; Y309-H389 AromaticContact CE2-CE1 3.64Å; I310-H389 HydrophobicContact CD1-CB 3.81Å; I310-H389 HydrophobicContact CG1-CB 4.1Å; I310-H389 PolarHBondContact N-ND1 3Å; H389-N391 PolarHBondContact CD2-OD1 3.49Å
390	L	96.1	Very high	92.1	Very high	16 Å²	16	63.7 Å²	63.7	8%	0.084	34%	0.338	C	S	.	.			trans	-108	108	174.7	-68.6	-174.9	0	0	0	110.4	F293 M305 G308 I350 V388 I392 I393	F293-L390 HydrophobicContact CE2-CD1 4.47Å; F293-L390 HydrophobicContact CE2-CD2 4.39Å; F293-L390 HydrophobicContact CZ-CD1 4.25Å; M305-L390 HydrophobicContact CE-CD1 4.02Å; G308-L390 PolarHBondContact O-N 3.31Å; I350-L390 HydrophobicContact CD1-CD1 4.11Å; V388-L390 HydrophobicContact CG1-CD2 4.37Å; V388-L390 PolarHBondContact O-N 3.35Å; L390-I392 HydrophobicContact CB-CG1 4.1Å; L390-I392 PolarHBondContact O-N 2.85Å; L390-I393 HydrophobicContact CB-CD1 4.2Å; L390-I393 HydrophobicContact CB-CG1 4.41Å; L390-I393 HydrophobicContact CD1-CD1 3.97Å; L390-I393 PolarHBondContact O-N 3.39Å
391	N	93.7	Very high	91.9	Very high	141 Å²	141	66.2 Å²	66.2	75%	0.754	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.7	178.3	-68.6	-23.1	0	0	0	113.7	H389 I393	H389-N391 PolarHBondContact CD2-OD1 3.49Å; N391-I393 VanDerWaalsContact C-N 3.25Å
392	I	96.1	Very high	92	Very high	37 Å²	37	61.6 Å²	61.6	19%	0.19	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-7.6	175.1	63.8	176.4	0	0	0	112.9	F293 L390 L397 G405 G406 I407	F293-I392 HydrophobicContact CB-CD1 4Å; F293-I392 HydrophobicContact CD1-CD1 4.43Å; F293-I392 HydrophobicContact CD2-CD1 3.25Å; F293-I392 HydrophobicContact CE2-CD1 3.8Å; F293-I392 HydrophobicContact CG-CD1 3.61Å; L390-I392 HydrophobicContact CB-CG1 4.1Å; L390-I392 PolarHBondContact O-N 2.85Å; I392-L397 WeakPolarHBondContact O-CD1 3.39Å; I392-G405 WeakPolarHBondContact CB-O 3.49Å; I392-G405 WeakPolarHBondContact CG2-O 3.36Å; I392-G406 CarbonylContact O-C 3.53Å; I392-G406 VanDerWaalsContact O-CA 3.28Å; I392-G406 WeakPolarHBondContact O-CA 3.11Å; I392-I407 HydrophobicContact CB-CG2 4.24Å; I392-I407 HydrophobicContact CD1-CD1 4.37Å; I392-I407 HydrophobicContact CD1-CG2 3.87Å; I392-I407 HydrophobicContact CG1-CG1 4.42Å; I392-I407 HydrophobicContact CG1-CG2 4.28Å; I392-I407 WeakPolarHBondContact O-CG1 3.41Å; I392-I407 PolarHBondContact O-N 3.27Å
393	I	97.4	Very high	92.1	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.01	33%	0.334	C	S	.	.			trans	-114.4	132.9	178	-65.4	170.9	0	0	0	109.4	Y309 L347 T348 I350 L390 N391 I407 N408	Y309-I393 WeakPolarHBondContact CD2-O 3.33Å; L347-I393 HydrophobicContact CD1-CG2 4.25Å; T348-I393 HydrophobicContact CG2-CD1 4.31Å; T348-I393 HydrophobicContact CG2-CG1 4.47Å; T348-I393 HydrophobicContact CG2-CG2 4.42Å; T348-I393 WeakPolarHBondContact O-CG2 3.48Å; I350-I393 HydrophobicContact CD1-CD1 4.24Å; I350-I393 HydrophobicContact CG1-CD1 4.22Å; L390-I393 HydrophobicContact CB-CD1 4.2Å; L390-I393 HydrophobicContact CB-CG1 4.41Å; L390-I393 HydrophobicContact CD1-CD1 3.97Å; L390-I393 PolarHBondContact O-N 3.39Å; N391-I393 VanDerWaalsContact C-N 3.25Å; I393-I407 HydrophobicContact CD1-CD1 3.9Å; I393-I407 HydrophobicContact CD1-CG1 4.48Å; I393-I407 HydrophobicContact CG1-CD1 3.61Å; I393-I407 HydrophobicContact CG1-CG1 3.66Å; I393-N408 VanDerWaalsContact CA-OD1 3.26Å; I393-N408 WeakPolarHBondContact CA-OD1 3.36Å
394	G	93.9	Very high	92.3	Very high	3 Å²	3	66 Å²	66	3%	0.031	36%	0.361	C	S	.	.			trans	-167.4	160.6	174.6	0	0	0	0	0	115.4	S396 N408	G394-S396 VanDerWaalsContact C-N 3.32Å; G394-S396 PolarHBondContact O-N 3.49Å; G394-N408 PolarHBondContact N-OD1 3.39Å; G394-N408 PolarHBondContact O-ND2 2.89Å; G394-N408 PolarHBondContact O-OD1 2.9Å
395	P	90.8	Very high	92.5	Very high	41 Å²	41	59.9 Å²	59.9	27%	0.266	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-20.1	-176.6	28.1	-35.2	0	0	0	114.3	Y283 Y309 L347	Y283-P395 PolarHBondContact OH-O 2.98Å; Y309-P395 HydrophobicContact CD1-CG 4.42Å; Y309-P395 HydrophobicContact CE1-CG 4.21Å; L347-P395 HydrophobicContact CD2-CB 3.62Å
396	S	86.3	Confident	92.6	Very high	89 Å²	89	59 Å²	59	62%	0.622	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.6	41.6	-172.2	-63.4	0	0	0	0	111.8	G394 T398	G394-S396 VanDerWaalsContact C-N 3.32Å; G394-S396 PolarHBondContact O-N 3.49Å; S396-T398 PolarHBondContact O-N 2.88Å; S396-T398 VanDerWaalsContact O-N 3.13Å
397	L	90.9	Very high	92.8	Very high	19 Å²	19	53.5 Å²	53.5	10%	0.099	30%	0.295	C	S	.	.			trans	-56.8	119.9	176.3	-60.6	-164.6	0	0	0	110.1	I392 D401 I402 N408	I392-L397 WeakPolarHBondContact O-CD1 3.39Å; L397-D401 HydrophobicContact CB-CB 3.95Å; L397-D401 HydrophobicContact CD2-CB 3.95Å; L397-D401 HydrophobicContact CG-CB 4.39Å; L397-I402 HydrophobicContact CB-CD1 3.83Å; L397-I402 HydrophobicContact CD1-CD1 4.07Å; L397-N408 WeakPolarHBondContact CD1-O 3.49Å
398	T	87	Confident	92.8	Very high	71 Å²	71	52.2 Å²	52.2	44%	0.436	29%	0.289	S	S	.	.			trans	-80.3	172.2	177.1	71.4	0	0	0	0	110.3	S396 K400 D401 I402	S396-T398 PolarHBondContact O-N 2.88Å; S396-T398 VanDerWaalsContact O-N 3.13Å; T398-K400 PolarHBondContact O-N 2.68Å; T398-K400 VanDerWaalsContact O-N 3.15Å; T398-K400 PolarHBondContact OG1-N 3.2Å; T398-D401 WeakPolarHBondContact CA-OD2 3.34Å; T398-D401 VanDerWaalsContact CB-OD2 3.31Å; T398-D401 WeakPolarHBondContact CB-OD2 3.3Å; T398-D401 WeakPolarHBondContact CG2-OD2 3.13Å; T398-D401 PolarHBondContact N-OD2 3.03Å; T398-D401 PolarHBondContact O-N 2.92Å; T398-D401 PolarHBondContact OG1-N 3.44Å; T398-D401 PolarHBondContact OG1-OD2 2.88Å; T398-I402 WeakPolarHBondContact O-CG1 3.36Å; T398-I402 PolarHBondContact O-N 3.44Å
399	K	87	Confident	92.7	Very high	76 Å²	76	49.6 Å²	49.6	33%	0.33	27%	0.273	S	S	.	.	H	α-helix	trans	-52.7	-36.6	172.6	-171.8	-177.3	-175.2	179.6	0	112.2	M403 I417 I425 R426	K399-M403 HydrophobicContact CG-SD 4.49Å; K399-M403 VanDerWaalsContact O-CG 3.3Å; K399-M403 WeakPolarHBondContact O-CG 3.5Å; K399-M403 PolarHBondContact O-N 3.34Å; K399-I417 HydrophobicContact CB-CD1 4.5Å; K399-I425 HydrophobicContact CD-CG2 4.28Å; K399-I425 HydrophobicContact CG-CG2 4.19Å; K399-R426 PolarHBondContact NZ-O 2.82Å
400	K	88.2	Confident	92.6	Very high	164 Å²	164	48 Å²	48	71%	0.713	27%	0.265	S	S	*	.	H	α-helix	trans	-65.6	-44	178.5	-174.6	-177.3	176.4	-174.3	0	111	T398 I402 M403 S404	T398-K400 PolarHBondContact O-N 2.68Å; T398-K400 VanDerWaalsContact O-N 3.15Å; T398-K400 PolarHBondContact OG1-N 3.2Å; K400-I402 VanDerWaalsContact C-N 3.35Å; K400-I402 PolarHBondContact O-N 2.91Å; K400-M403 WeakPolarHBondContact O-CB 3.36Å; K400-M403 PolarHBondContact O-N 2.72Å; K400-M403 VanDerWaalsContact O-N 3.16Å; K400-S404 PolarHBondContact O-N 3.18Å; K400-S404 PolarHBondContact O-OG 3.43Å
401	D	92	Very high	92.4	Very high	55 Å²	55	50 Å²	50	29%	0.294	27%	0.272	S	S	.	.	H	α-helix	trans	-67.1	-38	-179.8	-50.6	-49.6	0	0	0	111.5	L397 T398 M403 S404 G405 G406	L397-D401 HydrophobicContact CB-CB 3.95Å; L397-D401 HydrophobicContact CD2-CB 3.95Å; L397-D401 HydrophobicContact CG-CB 4.39Å; T398-D401 WeakPolarHBondContact CA-OD2 3.34Å; T398-D401 VanDerWaalsContact CB-OD2 3.31Å; T398-D401 WeakPolarHBondContact CB-OD2 3.3Å; T398-D401 WeakPolarHBondContact CG2-OD2 3.13Å; T398-D401 PolarHBondContact N-OD2 3.03Å; T398-D401 PolarHBondContact O-N 2.92Å; T398-D401 PolarHBondContact OG1-N 3.44Å; T398-D401 PolarHBondContact OG1-OD2 2.88Å; D401-M403 VanDerWaalsContact C-N 3.34Å; D401-S404 WeakPolarHBondContact CA-OG 3.35Å; D401-S404 CarbonylContact O-C 3.17Å; D401-S404 PolarHBondContact O-N 3.14Å; D401-S404 PolarHBondContact O-OG 3.01Å; D401-G405 PolarHBondContact O-N 3.38Å; D401-G406 WeakPolarHBondContact O-CA 3.16Å; D401-G406 PolarHBondContact O-N 3.29Å
402	I	91.8	Very high	92.1	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-39.1	172.6	-58.6	-51.1	0	0	0	111.3	V286 N289 L397 T398 K400 S404 G405 G406 V409 I417 I425	V286-I402 HydrophobicContact CG1-CG2 4.08Å; V286-I402 HydrophobicContact CG2-CD1 4.17Å; V286-I402 HydrophobicContact CG2-CG2 3.84Å; N289-I402 PolarHBondContact ND2-O 3.44Å; L397-I402 HydrophobicContact CB-CD1 3.83Å; L397-I402 HydrophobicContact CD1-CD1 4.07Å; T398-I402 WeakPolarHBondContact O-CG1 3.36Å; T398-I402 PolarHBondContact O-N 3.44Å; K400-I402 VanDerWaalsContact C-N 3.35Å; K400-I402 PolarHBondContact O-N 2.91Å; I402-S404 VanDerWaalsContact C-N 3.26Å; I402-S404 PolarHBondContact O-N 2.86Å; I402-G405 PolarHBondContact O-N 3.49Å; I402-G406 WeakPolarHBondContact CD1-O 3.42Å; I402-V409 HydrophobicContact CD1-CB 3.98Å; I402-V409 HydrophobicContact CG1-CB 4.42Å; I402-I417 HydrophobicContact CG1-CD1 4.2Å; I402-I425 HydrophobicContact CG2-CD1 4.04Å; I402-I425 HydrophobicContact CG2-CG1 4.4Å
403	M	89.5	Confident	91.9	Very high	135 Å²	135	49.8 Å²	49.8	67%	0.665	27%	0.265	S	S	*	.	H	α-helix	trans	-65.1	-29.2	174	-73.4	178.8	68.9	0	0	112.7	K399 K400 D401 G405 I425	K399-M403 HydrophobicContact CG-SD 4.49Å; K399-M403 VanDerWaalsContact O-CG 3.3Å; K399-M403 WeakPolarHBondContact O-CG 3.5Å; K399-M403 PolarHBondContact O-N 3.34Å; K400-M403 WeakPolarHBondContact O-CB 3.36Å; K400-M403 PolarHBondContact O-N 2.72Å; K400-M403 VanDerWaalsContact O-N 3.16Å; D401-M403 VanDerWaalsContact C-N 3.34Å; M403-G405 VanDerWaalsContact C-N 3.31Å; M403-I425 HydrophobicContact CB-CD1 4.38Å; M403-I425 HydrophobicContact CG-CD1 3.3Å; M403-I425 HydrophobicContact SD-CD1 4.43Å
404	S	91.7	Very high	91.5	Very high	92 Å²	92	49.7 Å²	49.7	64%	0.643	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	14.3	176.4	62.4	0	0	0	0	114.3	K400 D401 I402	K400-S404 PolarHBondContact O-N 3.18Å; K400-S404 PolarHBondContact O-OG 3.43Å; D401-S404 WeakPolarHBondContact CA-OG 3.35Å; D401-S404 CarbonylContact O-C 3.17Å; D401-S404 PolarHBondContact O-N 3.14Å; D401-S404 PolarHBondContact O-OG 3.01Å; I402-S404 VanDerWaalsContact C-N 3.26Å; I402-S404 PolarHBondContact O-N 2.86Å
405	G	93.6	Very high	91.1	Very high	19 Å²	19	56.9 Å²	56.9	20%	0.196	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	105.6	5.8	174.4	0	0	0	0	0	115.7	N289 I392 D401 I402 M403 I407	N289-G405 VanDerWaalsContact ND2-C 3.33Å; I392-G405 WeakPolarHBondContact CB-O 3.49Å; I392-G405 WeakPolarHBondContact CG2-O 3.36Å; D401-G405 PolarHBondContact O-N 3.38Å; I402-G405 PolarHBondContact O-N 3.49Å; M403-G405 VanDerWaalsContact C-N 3.31Å; G405-I407 PolarHBondContact O-N 3.48Å
406	G	96.1	Very high	90.9	Very high	2 Å²	2	64.3 Å²	64.3	2%	0.021	32%	0.318	C	S	.	.			trans	-56.5	127	175.5	0	0	0	0	0	112.9	N289 I392 D401 I402	N289-G406 PolarHBondContact ND2-O 3.34Å; I392-G406 CarbonylContact O-C 3.53Å; I392-G406 VanDerWaalsContact O-CA 3.28Å; I392-G406 WeakPolarHBondContact O-CA 3.11Å; D401-G406 WeakPolarHBondContact O-CA 3.16Å; D401-G406 PolarHBondContact O-N 3.29Å; I402-G406 WeakPolarHBondContact CD1-O 3.42Å
407	I	96.5	Very high	90.9	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	29%	0.294	C	S	.	.			trans	-94.5	-26.9	-171.5	65.7	168.8	0	0	0	113.8	L277 L285 V286 N289 V290 I350 I392 I393 G405	L277-I407 HydrophobicContact CD1-CD1 4.1Å; L285-I407 CarbonylContact C-O 3.47Å; L285-I407 VanDerWaalsContact CA-O 3.29Å; L285-I407 WeakPolarHBondContact CA-O 3.36Å; V286-I407 PolarHBondContact N-O 3.46Å; N289-I407 HydrophobicContact CB-CG2 3.92Å; V290-I407 HydrophobicContact CG2-CB 3.86Å; V290-I407 HydrophobicContact CG2-CG2 4.01Å; I350-I407 HydrophobicContact CD1-CD1 3.95Å; I392-I407 HydrophobicContact CB-CG2 4.24Å; I392-I407 HydrophobicContact CD1-CD1 4.37Å; I392-I407 HydrophobicContact CD1-CG2 3.87Å; I392-I407 HydrophobicContact CG1-CG1 4.42Å; I392-I407 HydrophobicContact CG1-CG2 4.28Å; I392-I407 WeakPolarHBondContact O-CG1 3.41Å; I392-I407 PolarHBondContact O-N 3.27Å; I393-I407 HydrophobicContact CD1-CD1 3.9Å; I393-I407 HydrophobicContact CD1-CG1 4.48Å; I393-I407 HydrophobicContact CG1-CD1 3.61Å; I393-I407 HydrophobicContact CG1-CG1 3.66Å; G405-I407 PolarHBondContact O-N 3.48Å
408	N	96.2	Very high	90.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.9	-176.9	78	-64.1	0	0	0	111.2	Y283 D284 L347 T348 I393 G394 L397	Y283-N408 WeakPolarHBondContact CD1-ND2 3.36Å; D284-N408 CarbonylContact O-C 3.44Å; D284-N408 WeakPolarHBondContact O-CA 3.45Å; L347-N408 WeakPolarHBondContact CD1-ND2 3.45Å; T348-N408 HydrophobicContact CG2-CB 4.14Å; T348-N408 WeakPolarHBondContact OG1-CB 3.39Å; I393-N408 VanDerWaalsContact CA-OD1 3.26Å; I393-N408 WeakPolarHBondContact CA-OD1 3.36Å; G394-N408 PolarHBondContact N-OD1 3.39Å; G394-N408 PolarHBondContact O-ND2 2.89Å; G394-N408 PolarHBondContact O-OD1 2.9Å; L397-N408 WeakPolarHBondContact CD1-O 3.49Å
409	V	94.6	Very high	90.4	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	130.7	179.7	55.3	0	0	0	0	110.4	Y283 D284 V286 I402 Y411 I413 I417	Y283-V409 CarbonylContact C-O 3.51Å; Y283-V409 WeakPolarHBondContact CA-O 3.46Å; D284-V409 HydrophobicContact CB-CG1 4.04Å; D284-V409 PolarHBondContact N-O 2.71Å; D284-V409 PolarHBondContact O-N 3.44Å; V286-V409 HydrophobicContact CG2-CG1 3.99Å; I402-V409 HydrophobicContact CD1-CB 3.98Å; I402-V409 HydrophobicContact CG1-CB 4.42Å; V409-Y411 PolarHBondContact O-N 3.43Å; V409-I413 HydrophobicContact CG2-CB 3.83Å; V409-I413 HydrophobicContact CG2-CG2 3.81Å; V409-I417 HydrophobicContact CG2-CD1 4.26Å
410	H	94.8	Very high	90.2	Very high	43 Å²	43	57.8 Å²	57.8	20%	0.199	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	134.7	177.9	-176	-80.7	0	0	0	110.5	Y283 K412 I413 S414	Y283-H410 HydrophobicContact CD1-CB 4.19Å; Y283-H410 HydrophobicContact CE1-CB 3.91Å; H410-K412 PolarHBondContact ND1-N 3.1Å; H410-K412 PolarHBondContact O-N 3.44Å; H410-I413 HydrophobicContact CB-CD1 4.46Å; H410-I413 WeakPolarHBondContact O-CA 3.36Å; H410-I413 WeakPolarHBondContact O-CB 2.97Å; H410-I413 PolarHBondContact O-N 2.81Å; H410-S414 PolarHBondContact O-N 2.79Å
411	Y	91.3	Very high	89.6	Confident	56 Å²	56	55 Å²	55	22%	0.22	28%	0.276	C	S	.	.	H	α-helix	trans	-57.6	-31.1	-167.3	83.5	-80.6	0	0	0	114.7	R168 D282 V409 I413 S414 K415	R168-Y411 VanDerWaalsContact CZ-CB 3.48Å; R168-Y411 VanDerWaalsContact NH1-CB 3.26Å; D282-Y411 HydrophobicContact CB-CD1 4Å; D282-Y411 HydrophobicContact CB-CE1 4.37Å; D282-Y411 WeakPolarHBondContact O-CD1 3.3Å; D282-Y411 PolarHBondContact O-N 2.8Å; V409-Y411 PolarHBondContact O-N 3.43Å; Y411-I413 VanDerWaalsContact C-N 3.28Å; Y411-I413 PolarHBondContact O-N 3.07Å; Y411-S414 WeakPolarHBondContact CA-OG 3.13Å; Y411-S414 PolarHBondContact O-N 2.73Å; Y411-S414 PolarHBondContact O-OG 2.92Å; Y411-K415 WeakPolarHBondContact O-CB 3.4Å; Y411-K415 PolarHBondContact O-N 2.94Å
412	K	89.2	Confident	88.6	Confident	115 Å²	115	55.3 Å²	55.3	50%	0.5	28%	0.282	S	S	.	.	H	α-helix	trans	-63.7	-34.8	175.7	-70	178.5	-175.9	171.7	0	112.2	H410	H410-K412 PolarHBondContact ND1-N 3.1Å; H410-K412 PolarHBondContact O-N 3.44Å
413	I	90	Very high	87.5	Confident	59 Å²	59	56.1 Å²	56.1	30%	0.303	29%	0.289	S	S	.	.	H	α-helix	trans	-78.8	-48.2	177.1	-59.3	176.5	0	0	0	108.6	V409 H410 Y411 K415 R416 I417	V409-I413 HydrophobicContact CG2-CB 3.83Å; V409-I413 HydrophobicContact CG2-CG2 3.81Å; H410-I413 HydrophobicContact CB-CD1 4.46Å; H410-I413 WeakPolarHBondContact O-CA 3.36Å; H410-I413 WeakPolarHBondContact O-CB 2.97Å; H410-I413 PolarHBondContact O-N 2.81Å; Y411-I413 VanDerWaalsContact C-N 3.28Å; Y411-I413 PolarHBondContact O-N 3.07Å; I413-K415 VanDerWaalsContact C-N 3.26Å; I413-K415 PolarHBondContact O-N 3.45Å; I413-R416 WeakPolarHBondContact O-CA 3.49Å; I413-R416 WeakPolarHBondContact O-CB 3.43Å; I413-R416 PolarHBondContact O-N 3.34Å; I413-I417 HydrophobicContact CG2-CD1 3.88Å; I413-I417 HydrophobicContact CG2-CG1 4.24Å; I413-I417 HydrophobicContact CG2-CG2 4.21Å; I413-I417 PolarHBondContact O-N 2.92Å
414	S	89.8	Confident	86.7	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.007	28%	0.276	C	S	.	.	H	α-helix	trans	-54.5	-42.4	-179.7	84.9	0	0	0	0	112	D284 H410 Y411 R416 I417 M418	D284-S414 VanDerWaalsContact OD2-CB 3.24Å; D284-S414 WeakPolarHBondContact OD2-CB 3.49Å; D284-S414 PolarHBondContact OD2-OG 2.97Å; H410-S414 PolarHBondContact O-N 2.79Å; Y411-S414 WeakPolarHBondContact CA-OG 3.13Å; Y411-S414 PolarHBondContact O-N 2.73Å; Y411-S414 PolarHBondContact O-OG 2.92Å; S414-R416 PolarHBondContact O-N 3.19Å; S414-R416 VanDerWaalsContact O-N 3.12Å; S414-I417 PolarHBondContact O-N 2.76Å; S414-M418 VanDerWaalsContact O-CB 3.3Å; S414-M418 WeakPolarHBondContact O-CB 3.28Å; S414-M418 PolarHBondContact O-N 3.13Å
415	K	85.7	Confident	85.9	Confident	153 Å²	153	49.7 Å²	49.7	67%	0.665	25%	0.254	S	S	*	.	H	α-helix	trans	-56.8	-29.8	176	-175.8	175.3	-179.2	177.5	0	113.3	Y411 I413	Y411-K415 WeakPolarHBondContact O-CB 3.4Å; Y411-K415 PolarHBondContact O-N 2.94Å; I413-K415 VanDerWaalsContact C-N 3.26Å; I413-K415 PolarHBondContact O-N 3.45Å
416	R	85.6	Confident	84.9	Confident	198 Å²	198	54.9 Å²	54.9	75%	0.747	27%	0.268	S	S	*	.	H	α-helix	trans	-88	-37.7	179.3	-62.9	176.6	-176.6	175.2	0.1	112.1	I413 S414	I413-R416 WeakPolarHBondContact O-CA 3.49Å; I413-R416 WeakPolarHBondContact O-CB 3.43Å; I413-R416 PolarHBondContact O-N 3.34Å; S414-R416 PolarHBondContact O-N 3.19Å; S414-R416 VanDerWaalsContact O-N 3.12Å
417	I	86.3	Confident	82.9	Confident	23 Å²	23	61.9 Å²	61.9	12%	0.118	30%	0.303	C	S	.	.	H	α-helix	trans	-102.9	-21.5	-169	72.6	170.3	0	0	0	114.4	K399 I402 V409 I413 S414 I425 R426	K399-I417 HydrophobicContact CB-CD1 4.5Å; I402-I417 HydrophobicContact CG1-CD1 4.2Å; V409-I417 HydrophobicContact CG2-CD1 4.26Å; I413-I417 HydrophobicContact CG2-CD1 3.88Å; I413-I417 HydrophobicContact CG2-CG1 4.24Å; I413-I417 HydrophobicContact CG2-CG2 4.21Å; I413-I417 PolarHBondContact O-N 2.92Å; S414-I417 PolarHBondContact O-N 2.76Å; I417-I425 CarbonylContact O-C 3.59Å; I417-I425 WeakPolarHBondContact O-CA 3.42Å; I417-R426 PolarHBondContact O-N 3.14Å
418	M	85	Confident	80.3	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	142.2	-175.9	-63.7	-59.3	-73.4	0	0	112.1	V286 S414 W420 I425 R426	V286-M418 HydrophobicContact CG1-CE 4.11Å; V286-M418 HydrophobicContact CG2-CE 4.47Å; S414-M418 VanDerWaalsContact O-CB 3.3Å; S414-M418 WeakPolarHBondContact O-CB 3.28Å; S414-M418 PolarHBondContact O-N 3.13Å; M418-W420 HydrophobicContact CB-CD2 4.14Å; M418-W420 HydrophobicContact CB-CH2 4.37Å; M418-W420 HydrophobicContact CB-CZ2 3.86Å; M418-W420 HydrophobicContact CE-CH2 4.37Å; M418-W420 HydrophobicContact CE-CZ3 4.29Å; M418-W420 HydrophobicContact CG-CH2 4.16Å; M418-W420 HydrophobicContact CG-CZ2 3.91Å; M418-I425 HydrophobicContact SD-CG1 4.12Å; M418-R426 PolarHBondContact O-NE 2.95Å
419	N	83.2	Confident	77.2	Confident	59 Å²	59	76.7 Å²	76.7	32%	0.316	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	102.8	161.4	-175.6	-0.9	0	0	0	108.8	S421 S422 A423 S424 R426	N419-S421 PolarHBondContact O-N 2.99Å; N419-S421 WeakPolarHBondContact OD1-CB 3.3Å; N419-S421 PolarHBondContact OD1-N 3.1Å; N419-S421 VanDerWaalsContact OD1-N 3.11Å; N419-S422 WeakPolarHBondContact CB-OG 3.29Å; N419-S422 VanDerWaalsContact CG-OG 3.29Å; N419-S422 PolarHBondContact ND2-OG 3.36Å; N419-S422 PolarHBondContact O-N 3.41Å; N419-A423 WeakPolarHBondContact O-CA 3.48Å; N419-A423 PolarHBondContact O-N 2.89Å; N419-S424 WeakPolarHBondContact CB-O 3.37Å; N419-S424 PolarHBondContact N-O 3.42Å; N419-S424 PolarHBondContact O-N 3.17Å; N419-R426 HydrophobicContact CB-CG 4.08Å
420	W	83	Confident	74.1	Confident	34 Å²	34	85.7 Å²	85.7	13%	0.129	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-7.6	-177.6	-63	115.2	0	0	0	114.3	T172 F173 L178 D284 L285 M418	T172-W420 HydrophobicContact CG2-CB 4.43Å; T172-W420 HydrophobicContact CG2-CD2 3.94Å; T172-W420 HydrophobicContact CG2-CG 3.69Å; F173-W420 HydrophobicContact CB-CH2 3.93Å; F173-W420 HydrophobicContact CB-CZ3 3.72Å; L178-W420 HydrophobicContact CD1-CE3 3.84Å; L178-W420 HydrophobicContact CD1-CZ3 4.41Å; L178-W420 VanDerWaalsContact CD2-O 3.22Å; L178-W420 WeakPolarHBondContact CD2-O 3.2Å; D284-W420 HydrophobicContact CB-CH2 3.75Å; D284-W420 HydrophobicContact CB-CZ2 3.83Å; L285-W420 WeakPolarHBondContact O-CH2 3.29Å; M418-W420 HydrophobicContact CB-CD2 4.14Å; M418-W420 HydrophobicContact CB-CH2 4.37Å; M418-W420 HydrophobicContact CB-CZ2 3.86Å; M418-W420 HydrophobicContact CE-CH2 4.37Å; M418-W420 HydrophobicContact CE-CZ3 4.29Å; M418-W420 HydrophobicContact CG-CH2 4.16Å; M418-W420 HydrophobicContact CG-CZ2 3.91Å
421	S	75.2	Confident	71.1	Confident	106 Å²	106	90.2 Å²	90.2	74%	0.741	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-25.4	170.8	-56.1	0	0	0	0	112.6	N419	N419-S421 PolarHBondContact O-N 2.99Å; N419-S421 WeakPolarHBondContact OD1-CB 3.3Å; N419-S421 PolarHBondContact OD1-N 3.1Å; N419-S421 VanDerWaalsContact OD1-N 3.11Å
422	S	71.9	Confident	68.2	Low	62 Å²	62	95.8 Å²	95.8	43%	0.434	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	1.8	-176.3	55.6	0	0	0	0	113.8	N419 S424	N419-S422 WeakPolarHBondContact CB-OG 3.29Å; N419-S422 VanDerWaalsContact CG-OG 3.29Å; N419-S422 PolarHBondContact ND2-OG 3.36Å; N419-S422 PolarHBondContact O-N 3.41Å; S422-S424 PolarHBondContact O-N 3.21Å; S422-S424 PolarHBondContact OG-OG 3.13Å
423	A	67.7	Low	65.5	Low	18 Å²	18	96.2 Å²	96.2	15%	0.149	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	14.1	-167.9	0	0	0	0	0	114.6	L178 N419	L178-A423 HydrophobicContact CB-CB 4.1Å; L178-A423 HydrophobicContact CD2-CB 3.75Å; L178-A423 HydrophobicContact CG-CB 4.32Å; N419-A423 WeakPolarHBondContact O-CA 3.48Å; N419-A423 PolarHBondContact O-N 2.89Å
424	S	72.4	Confident	62.8	Low	55 Å²	55	101.6 Å²	101.6	39%	0.385	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	150.9	-175	65.7	0	0	0	0	110.9	N419 S422 R426	N419-S424 WeakPolarHBondContact CB-O 3.37Å; N419-S424 PolarHBondContact N-O 3.42Å; N419-S424 PolarHBondContact O-N 3.17Å; S422-S424 PolarHBondContact O-N 3.21Å; S422-S424 PolarHBondContact OG-OG 3.13Å; S424-R426 PolarHBondContact O-N 3.34Å
425	I	75.7	Confident	60.2	Low	37 Å²	37	103.3 Å²	103.3	19%	0.19	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	129.7	166.9	-63.7	175.3	0	0	0	106.9	K399 I402 M403 I417 M418 I427	K399-I425 HydrophobicContact CD-CG2 4.28Å; K399-I425 HydrophobicContact CG-CG2 4.19Å; I402-I425 HydrophobicContact CG2-CD1 4.04Å; I402-I425 HydrophobicContact CG2-CG1 4.4Å; M403-I425 HydrophobicContact CB-CD1 4.38Å; M403-I425 HydrophobicContact CG-CD1 3.3Å; M403-I425 HydrophobicContact SD-CD1 4.43Å; I417-I425 CarbonylContact O-C 3.59Å; I417-I425 WeakPolarHBondContact O-CA 3.42Å; M418-I425 HydrophobicContact SD-CG1 4.12Å; I425-I427 PolarHBondContact O-N 2.8Å
426	R	72.8	Confident	57.9	Low	128 Å²	128	99.4 Å²	99.4	48%	0.483	49%	0.494	S	S	.	.			trans	-53.1	108.9	169.1	-70.2	-177.8	-172.3	-165.6	-5.3	107.4	K399 I417 M418 N419 S424 Q428	K399-R426 PolarHBondContact NZ-O 2.82Å; I417-R426 PolarHBondContact O-N 3.14Å; M418-R426 PolarHBondContact O-NE 2.95Å; N419-R426 HydrophobicContact CB-CG 4.08Å; S424-R426 PolarHBondContact O-N 3.34Å; R426-Q428 PolarHBondContact O-N 2.04Å
427	I	54.5	Low	55.8	Low	149 Å²	149	95.9 Å²	95.9	76%	0.764	49%	0.489	S	S	*	.			trans	-63.2	99.7	158.5	-56.3	174.8	0	0	0	102.6	I425 M429	I425-I427 PolarHBondContact O-N 2.8Å; I427-M429 PolarHBondContact O-N 2.9Å
428	Q	41.7	Very low	53.7	Low	160 Å²	160	99 Å²	99	75%	0.748	51%	0.511	S	S	*	.			trans	-59	98.1	152.5	-101.4	179.8	-31.3	0	0	102.9	R426 K430	R426-Q428 PolarHBondContact O-N 2.04Å; Q428-K430 PolarHBondContact O-N 3.31Å
429	M	30.1	Very low	51.6	Low	153 Å²	153	104.1 Å²	104.1	75%	0.754	54%	0.537	S	S	*	.			trans	-49.3	106.7	140.5	-77.5	176.7	85.7	0	0	102.1	I427 L431	I427-M429 PolarHBondContact O-N 2.9Å; M429-L431 PolarHBondContact O-N 3.38Å
430	K	30.5	Very low	49.6	Very low	190 Å²	190	105.4 Å²	105.4	83%	0.826	54%	0.543	S	S	*	.			trans	-54.7	90.8	152.2	-89.3	-179	173	178.3	0	102.4	Q428 Y432	Q428-K430 PolarHBondContact O-N 3.31Å; K430-Y432 PolarHBondContact O-N 2.95Å
431	L	31.9	Very low	47.4	Very low	137 Å²	137	112 Å²	112	72%	0.717	57%	0.573	S	S	*	*			trans	-51.5	110.7	157.8	-86.1	164.7	0	0	0	102.4	M429 N433	M429-L431 PolarHBondContact O-N 3.38Å; L431-N433 PolarHBondContact O-N 3.46Å
432	Y	29.3	Very low	46.1	Very low	174 Å²	174	111 Å²	111	68%	0.682	56%	0.564	S	S	*	*	S	Bend	trans	-71.3	55.4	-173.2	-157.9	-90.9	0	0	0	108.5	K430 A435	K430-Y432 PolarHBondContact O-N 2.95Å; Y432-A435 HydrophobicContact CD1-CB 4.11Å; Y432-A435 HydrophobicContact CE1-CB 3.74Å; Y432-A435 HydrophobicContact CE2-CB 4.29Å
433	N	32.7	Very low	44.9	Very low	123 Å²	123	112.5 Å²	112.5	66%	0.658	57%	0.566	S	S	*	*			trans	-116.3	10.5	-179.5	-85.2	-6.6	0	0	0	112.2	L431	L431-N433 PolarHBondContact O-N 3.46Å
434	Q	35	Very low	43.7	Very low	173 Å²	173	119 Å²	119	81%	0.808	59%	0.591	S	S	*	*	S	Bend	trans	-118.9	-3.2	167.6	-75	-174.2	-20.1	0	0	114.1
435	A	34.8	Very low	42.5	Very low	37 Å²	37	122.9 Å²	122.9	31%	0.306	61%	0.606	S	S	.	*	S	Bend	trans	-86.3	-14.9	170.3	0	0	0	0	0	113.3	Y432	Y432-A435 HydrophobicContact CD1-CB 4.11Å; Y432-A435 HydrophobicContact CE1-CB 3.74Å; Y432-A435 HydrophobicContact CE2-CB 4.29Å
436	V	36.2	Very low	41.1	Very low	70 Å²	70	129.5 Å²	129.5	42%	0.424	63%	0.634	S	S	.	*	H	α-helix	trans	-86.2	-18.4	-178	-179.2	0	0	0	0	112.6	I440	V436-I440 HydrophobicContact CG1-CD1 3.55Å; V436-I440 HydrophobicContact CG1-CG1 4.3Å; V436-I440 WeakPolarHBondContact O-CD1 3.41Å; V436-I440 VanDerWaalsContact O-CG1 3.3Å; V436-I440 WeakPolarHBondContact O-CG1 3.49Å
437	I	42.5	Very low	39.7	Very low	124 Å²	124	127.6 Å²	127.6	64%	0.636	63%	0.632	S	S	*	*	H	α-helix	trans	-80	-35.9	-175.5	-61.5	178.2	0	0	0	113.5
438	P	41	Very low	39.2	Very low	88 Å²	88	127.6 Å²	127.6	57%	0.571	63%	0.632	S	S	*	*	H	α-helix	trans	-80.9	-17.6	177.6	-12	28.8	0	0	0	114.4	P442	P438-P442 WeakPolarHBondContact O-CD 3.4Å
439	I	42.7	Very low	39.4	Very low	110 Å²	110	129.4 Å²	129.4	56%	0.564	64%	0.638	S	S	*	*	H	α-helix	trans	-83.6	-24.1	178.5	-58.6	176.3	0	0	0	111.6	K441 P442 I443	I439-K441 VanDerWaalsContact C-N 3.34Å; I439-P442 WeakPolarHBondContact O-CD 3.32Å; I439-I443 HydrophobicContact CG2-CD1 4.13Å; I439-I443 WeakPolarHBondContact O-CG1 3.44Å
440	I	40	Very low	40	Very low	86 Å²	86	127.9 Å²	127.9	44%	0.441	63%	0.631	S	S	.	*	H	α-helix	trans	-78.3	-20.5	178.4	-65.2	174.5	0	0	0	112.1	V436 F444	V436-I440 HydrophobicContact CG1-CD1 3.55Å; V436-I440 HydrophobicContact CG1-CG1 4.3Å; V436-I440 WeakPolarHBondContact O-CD1 3.41Å; V436-I440 VanDerWaalsContact O-CG1 3.3Å; V436-I440 WeakPolarHBondContact O-CG1 3.49Å; I440-F444 HydrophobicContact CG2-CD2 4.07Å; I440-F444 PolarHBondContact O-N 3.37Å
441	K	37.6	Very low	40.9	Very low	172 Å²	172	125.2 Å²	125.2	75%	0.748	63%	0.626	S	S	*	*	H	α-helix	trans	-69.3	-40.4	-178.6	-136.6	178.4	-176.5	-176.7	0	113.8	I439	I439-K441 VanDerWaalsContact C-N 3.34Å
442	P	47.9	Very low	42	Very low	86 Å²	86	125.1 Å²	125.1	56%	0.558	63%	0.625	S	S	*	*	H	α-helix	trans	-76.5	-26.8	175.3	-17.4	31.3	0	0	0	114	P438 I439	P438-P442 WeakPolarHBondContact O-CD 3.4Å; I439-P442 WeakPolarHBondContact O-CD 3.32Å
443	I	45.7	Very low	43.3	Very low	93 Å²	93	119.7 Å²	119.7	48%	0.477	62%	0.622	S	S	.	*	H	α-helix	trans	-72.5	-34.4	-179.2	-64.6	173.3	0	0	0	110.8	I439 I445 K446 I447	I439-I443 HydrophobicContact CG2-CD1 4.13Å; I439-I443 WeakPolarHBondContact O-CG1 3.44Å; I443-I445 PolarHBondContact O-N 3.46Å; I443-K446 PolarHBondContact O-N 3.26Å; I443-I447 HydrophobicContact CG2-CD1 3.69Å; I443-I447 HydrophobicContact CG2-CG1 4.37Å; I443-I447 PolarHBondContact O-N 3.3Å
444	F	42.2	Very low	44.5	Very low	153 Å²	153	118 Å²	118	67%	0.671	61%	0.612	S	S	*	*	H	α-helix	trans	-64.5	-26.8	179.8	-121.4	-89.7	0	0	0	113.9	I440	I440-F444 HydrophobicContact CG2-CD2 4.07Å; I440-F444 PolarHBondContact O-N 3.37Å
445	I	48	Very low	45.6	Very low	138 Å²	138	117.4 Å²	117.4	71%	0.708	60%	0.603	S	S	*	*	H	α-helix	trans	-81.3	-27	179.4	-62.8	176.6	0	0	0	111.5	I443	I443-I445 PolarHBondContact O-N 3.46Å
446	K	45.6	Very low	47.1	Very low	176 Å²	176	123.9 Å²	123.9	77%	0.765	62%	0.624	S	S	*	*	H	α-helix	trans	-85.3	-15.8	-179.4	-110.6	-179	178.6	-179.3	0	114.9	I443 I448	I443-K446 PolarHBondContact O-N 3.26Å; K446-I448 VanDerWaalsContact C-N 3.33Å; K446-I448 PolarHBondContact O-N 3.45Å
447	I	43.3	Very low	48.9	Very low	87 Å²	87	124.5 Å²	124.5	45%	0.446	63%	0.628	S	S	.	*	G	3₁₀ helix	trans	-81.7	-9	-177.5	-67.7	174.2	0	0	0	113.1	I443 K449 I458	I443-I447 HydrophobicContact CG2-CD1 3.69Å; I443-I447 HydrophobicContact CG2-CG1 4.37Å; I443-I447 PolarHBondContact O-N 3.3Å; I447-K449 PolarHBondContact O-N 3.4Å; I447-K449 VanDerWaalsContact O-N 3.12Å; I447-I458 HydrophobicContact CG2-CD1 4.21Å
448	I	44.3	Very low	50.5	Low	150 Å²	150	121.6 Å²	121.6	77%	0.769	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-70	-8.5	178.7	-63.4	177.7	0	0	0	113	K446	K446-I448 VanDerWaalsContact C-N 3.33Å; K446-I448 PolarHBondContact O-N 3.45Å
449	K	45.5	Very low	52.2	Low	198 Å²	198	124.7 Å²	124.7	86%	0.861	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-115	25.8	-177.9	-81.8	-165.6	174.8	-174.6	0	116.7	I447	I447-K449 PolarHBondContact O-N 3.4Å; I447-K449 VanDerWaalsContact O-N 3.12Å
450	I	44	Very low	53.9	Low	120 Å²	120	122.7 Å²	122.7	62%	0.615	61%	0.61	S	S	*	*	S	Bend	trans	-126.1	138.4	-179.1	-56.9	-178.4	0	0	0	113.6	I454	I450-I454 HydrophobicContact CG2-CD1 3.93Å
451	N	48.1	Very low	55.9	Low	134 Å²	134	123 Å²	123	72%	0.717	61%	0.611	S	S	*	*			trans	-40.8	149.9	-165.8	-103.2	-32	0	0	0	119.2	G453 I454	N451-G453 PolarHBondContact O-N 3.46Å; N451-I454 PolarHBondContact O-N 2.89Å; N451-I454 VanDerWaalsContact O-N 3.13Å
452	I	55.7	Low	58	Low	135 Å²	135	119.3 Å²	119.3	69%	0.692	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.4	-27.1	-171.7	-71.1	159.9	0	0	0	114.9	I454 R455	I452-I454 PolarHBondContact O-N 2.94Å; I452-R455 PolarHBondContact O-N 3.32Å
453	G	57.5	Low	59.8	Low	61 Å²	61	120.2 Å²	120.2	63%	0.629	60%	0.599	S	S	*	*	H	α-helix	trans	-65.4	-33.7	179.2	0	0	0	0	0	114.3	N451 R455	N451-G453 PolarHBondContact O-N 3.46Å; G453-R455 VanDerWaalsContact C-N 3.33Å; G453-R455 PolarHBondContact O-N 3.3Å
454	I	57.5	Low	61.6	Low	88 Å²	88	121.1 Å²	121.1	45%	0.451	60%	0.604	S	S	.	*	H	α-helix	trans	-79.7	-18.1	-175.4	-60	178.1	0	0	0	111.6	I450 N451 I452 K456 T457 I458	I450-I454 HydrophobicContact CG2-CD1 3.93Å; N451-I454 PolarHBondContact O-N 2.89Å; N451-I454 VanDerWaalsContact O-N 3.13Å; I452-I454 PolarHBondContact O-N 2.94Å; I454-K456 VanDerWaalsContact C-N 3.33Å; I454-K456 PolarHBondContact O-N 2.92Å; I454-T457 PolarHBondContact O-N 3.11Å; I454-I458 HydrophobicContact CG2-CD1 3.64Å; I454-I458 HydrophobicContact CG2-CG1 3.9Å; I454-I458 WeakPolarHBondContact O-CG1 3.37Å; I454-I458 PolarHBondContact O-N 3.41Å
455	R	57.7	Low	63.6	Low	160 Å²	160	119 Å²	119	60%	0.604	60%	0.598	S	S	*	*	H	α-helix	trans	-58	-43.1	178.4	-86.9	-176.5	170.2	179.4	-2.4	112.1	I452 G453 T457 I458 Y459	I452-R455 PolarHBondContact O-N 3.32Å; G453-R455 VanDerWaalsContact C-N 3.33Å; G453-R455 PolarHBondContact O-N 3.3Å; R455-T457 PolarHBondContact O-N 3.1Å; R455-I458 PolarHBondContact O-N 2.82Å; R455-Y459 HydrophobicContact CB-CD2 4.22Å; R455-Y459 HydrophobicContact CB-CE2 4.07Å; R455-Y459 HydrophobicContact CG-CE2 4.33Å; R455-Y459 WeakPolarHBondContact O-CB 3.48Å; R455-Y459 WeakPolarHBondContact O-CD2 3.32Å; R455-Y459 PolarHBondContact O-N 3.04Å
456	K	67.3	Low	65.4	Low	172 Å²	172	118.8 Å²	118.8	75%	0.748	59%	0.593	S	S	*	*	H	α-helix	trans	-60.9	-45.1	179.7	-79	-172.4	176.4	-179.1	0	111.5	I454 I458 Y459 S460	I454-K456 VanDerWaalsContact C-N 3.33Å; I454-K456 PolarHBondContact O-N 2.92Å; K456-I458 PolarHBondContact O-N 3.27Å; K456-Y459 PolarHBondContact O-N 3.33Å; K456-S460 PolarHBondContact O-N 3.17Å; K456-S460 PolarHBondContact O-OG 2.84Å
457	T	73.9	Confident	67.3	Low	83 Å²	83	115.1 Å²	115.1	51%	0.509	58%	0.581	S	S	.	*	H	α-helix	trans	-65.5	-41.1	179.6	-33.5	0	0	0	0	111.8	I454 R455 S460 I461	I454-T457 PolarHBondContact O-N 3.11Å; R455-T457 PolarHBondContact O-N 3.1Å; T457-S460 PolarHBondContact O-N 2.83Å; T457-I461 HydrophobicContact CG2-CD1 4.33Å; T457-I461 VanDerWaalsContact O-CG1 3.29Å; T457-I461 WeakPolarHBondContact O-CG1 3.27Å; T457-I461 PolarHBondContact O-N 3.11Å
458	I	74.9	Confident	69.2	Low	63 Å²	63	117.4 Å²	117.4	32%	0.323	59%	0.588	S	S	.	*	H	α-helix	trans	-65	-43.5	176.4	-68.6	173.2	0	0	0	111	I447 I454 R455 K456 S460 I461 L462	I447-I458 HydrophobicContact CG2-CD1 4.21Å; I454-I458 HydrophobicContact CG2-CD1 3.64Å; I454-I458 HydrophobicContact CG2-CG1 3.9Å; I454-I458 WeakPolarHBondContact O-CG1 3.37Å; I454-I458 PolarHBondContact O-N 3.41Å; R455-I458 PolarHBondContact O-N 2.82Å; K456-I458 PolarHBondContact O-N 3.27Å; I458-S460 VanDerWaalsContact C-N 3.34Å; I458-S460 PolarHBondContact O-N 2.72Å; I458-I461 PolarHBondContact O-N 3.46Å; I458-L462 HydrophobicContact CG2-CD1 3.77Å; I458-L462 HydrophobicContact CG2-CG 4.36Å; I458-L462 WeakPolarHBondContact O-CB 3.36Å; I458-L462 WeakPolarHBondContact O-CG 3.39Å; I458-L462 PolarHBondContact O-N 3.23Å
459	Y	77.3	Confident	70.8	Confident	154 Å²	154	117.7 Å²	117.7	60%	0.604	58%	0.581	S	S	*	*	H	α-helix	trans	-63.5	-39.5	176.6	-76.8	-61.4	0	0	0	111.9	R455 K456 L462 L463	R455-Y459 HydrophobicContact CB-CD2 4.22Å; R455-Y459 HydrophobicContact CB-CE2 4.07Å; R455-Y459 HydrophobicContact CG-CE2 4.33Å; R455-Y459 WeakPolarHBondContact O-CB 3.48Å; R455-Y459 WeakPolarHBondContact O-CD2 3.32Å; R455-Y459 PolarHBondContact O-N 3.04Å; K456-Y459 PolarHBondContact O-N 3.33Å; Y459-L462 PolarHBondContact O-N 2.92Å; Y459-L463 VanDerWaalsContact O-CB 3.28Å; Y459-L463 WeakPolarHBondContact O-CB 3.32Å; Y459-L463 PolarHBondContact O-N 3.1Å
460	S	78.3	Confident	72.2	Confident	67 Å²	67	109.7 Å²	109.7	47%	0.469	55%	0.549	S	S	.	.	H	α-helix	trans	-62.8	-43.4	174.2	-65.7	0	0	0	0	112.4	K456 T457 I458 L463 I464	K456-S460 PolarHBondContact O-N 3.17Å; K456-S460 PolarHBondContact O-OG 2.84Å; T457-S460 PolarHBondContact O-N 2.83Å; I458-S460 VanDerWaalsContact C-N 3.34Å; I458-S460 PolarHBondContact O-N 2.72Å; S460-L463 PolarHBondContact O-N 3.43Å; S460-I464 WeakPolarHBondContact O-CD1 3.29Å; S460-I464 VanDerWaalsContact O-CG1 3.26Å; S460-I464 WeakPolarHBondContact O-CG1 3.18Å; S460-I464 PolarHBondContact O-N 2.88Å
461	I	81.6	Confident	73.7	Confident	93 Å²	93	107.6 Å²	107.6	48%	0.477	54%	0.542	S	S	.	.	H	α-helix	trans	-65.7	-43.7	178.1	-67.7	165.4	0	0	0	111.1	T457 I458 L463 I464 L465	T457-I461 HydrophobicContact CG2-CD1 4.33Å; T457-I461 VanDerWaalsContact O-CG1 3.29Å; T457-I461 WeakPolarHBondContact O-CG1 3.27Å; T457-I461 PolarHBondContact O-N 3.11Å; I458-I461 PolarHBondContact O-N 3.46Å; I461-L463 VanDerWaalsContact C-N 3.34Å; I461-L463 PolarHBondContact O-N 3.18Å; I461-I464 PolarHBondContact O-N 2.84Å; I461-L465 HydrophobicContact CG2-CD1 4.03Å; I461-L465 WeakPolarHBondContact O-CG 3.08Å; I461-L465 PolarHBondContact O-N 3.1Å
462	L	81.3	Confident	74.9	Confident	94 Å²	94	104.7 Å²	104.7	49%	0.492	53%	0.526	S	S	.	.	H	α-helix	trans	-64.3	-38.5	177.1	-75.5	169	0	0	0	111.9	I458 Y459 L465 F466	I458-L462 HydrophobicContact CG2-CD1 3.77Å; I458-L462 HydrophobicContact CG2-CG 4.36Å; I458-L462 WeakPolarHBondContact O-CB 3.36Å; I458-L462 WeakPolarHBondContact O-CG 3.39Å; I458-L462 PolarHBondContact O-N 3.23Å; Y459-L462 PolarHBondContact O-N 2.92Å; L462-L465 PolarHBondContact O-N 3.01Å; L462-F466 WeakPolarHBondContact O-CB 3.37Å; L462-F466 PolarHBondContact O-N 3.27Å
463	L	86.1	Confident	75.4	Confident	105 Å²	105	103.9 Å²	103.9	55%	0.55	52%	0.515	S	S	.	.	H	α-helix	trans	-65.2	-42.5	175.9	-171.9	69.8	0	0	0	111.4	Y459 S460 I461 F466 L467	Y459-L463 VanDerWaalsContact O-CB 3.28Å; Y459-L463 WeakPolarHBondContact O-CB 3.32Å; Y459-L463 PolarHBondContact O-N 3.1Å; S460-L463 PolarHBondContact O-N 3.43Å; I461-L463 VanDerWaalsContact C-N 3.34Å; I461-L463 PolarHBondContact O-N 3.18Å; L463-F466 PolarHBondContact O-N 3.24Å; L463-L467 HydrophobicContact CG-CD1 4.25Å; L463-L467 WeakPolarHBondContact O-CB 3.35Å; L463-L467 VanDerWaalsContact O-CG 3.27Å; L463-L467 WeakPolarHBondContact O-CG 3.5Å; L463-L467 PolarHBondContact O-N 2.81Å
464	I	84.7	Confident	75.7	Confident	113 Å²	113	105.4 Å²	105.4	58%	0.579	51%	0.508	S	S	*	.	H	α-helix	trans	-62.9	-45.1	176.2	-68.3	164.1	0	0	0	110.8	S460 I461 F466 L467 F468	S460-I464 WeakPolarHBondContact O-CD1 3.29Å; S460-I464 VanDerWaalsContact O-CG1 3.26Å; S460-I464 WeakPolarHBondContact O-CG1 3.18Å; S460-I464 PolarHBondContact O-N 2.88Å; I461-I464 PolarHBondContact O-N 2.84Å; I464-F466 VanDerWaalsContact C-N 3.35Å; I464-F466 PolarHBondContact O-N 3.16Å; I464-L467 PolarHBondContact O-N 3.4Å; I464-F468 WeakPolarHBondContact O-CB 3.44Å; I464-F468 PolarHBondContact O-N 2.89Å
465	L	83.5	Confident	75.7	Confident	107 Å²	107	106.1 Å²	106.1	56%	0.56	51%	0.512	S	S	*	.	H	α-helix	trans	-63.9	-40	177.1	-75.1	168.4	0	0	0	112	I461 L462 F468 Y469	I461-L465 HydrophobicContact CG2-CD1 4.03Å; I461-L465 WeakPolarHBondContact O-CG 3.08Å; I461-L465 PolarHBondContact O-N 3.1Å; L462-L465 PolarHBondContact O-N 3.01Å; L465-F468 PolarHBondContact O-N 2.91Å; L465-Y469 WeakPolarHBondContact O-CB 3.43Å; L465-Y469 PolarHBondContact O-N 2.78Å
466	F	84.8	Confident	75.4	Confident	135 Å²	135	102.7 Å²	102.7	59%	0.592	51%	0.506	S	S	*	.	H	α-helix	trans	-64.8	-45.1	175.3	-179.1	-97.2	0	0	0	111.4	L462 L463 I464 F468 Y469 S470	L462-F466 WeakPolarHBondContact O-CB 3.37Å; L462-F466 PolarHBondContact O-N 3.27Å; L463-F466 PolarHBondContact O-N 3.24Å; I464-F466 VanDerWaalsContact C-N 3.35Å; I464-F466 PolarHBondContact O-N 3.16Å; F466-F468 PolarHBondContact O-N 3.08Å; F466-Y469 PolarHBondContact O-N 2.83Å; F466-S470 WeakPolarHBondContact O-CB 2.88Å; F466-S470 PolarHBondContact O-N 2.86Å; F466-S470 PolarHBondContact O-OG 3.34Å
467	L	87.2	Confident	74.3	Confident	98 Å²	98	99.1 Å²	99.1	51%	0.513	49%	0.49	S	S	.	.	H	α-helix	trans	-60.2	-46.1	175.7	-73.7	170.9	0	0	0	110.7	L463 I464 Y469 S470 T471	L463-L467 HydrophobicContact CG-CD1 4.25Å; L463-L467 WeakPolarHBondContact O-CB 3.35Å; L463-L467 VanDerWaalsContact O-CG 3.27Å; L463-L467 WeakPolarHBondContact O-CG 3.5Å; L463-L467 PolarHBondContact O-N 2.81Å; I464-L467 PolarHBondContact O-N 3.4Å; L467-Y469 PolarHBondContact O-N 2.94Å; L467-S470 WeakPolarHBondContact O-CB 3.16Å; L467-S470 PolarHBondContact O-N 3.46Å; L467-S470 VanDerWaalsContact O-N 3.15Å; L467-T471 PolarHBondContact O-N 2.82Å; L467-T471 PolarHBondContact O-OG1 3.35Å
468	F	82.7	Confident	72.6	Confident	135 Å²	135	99.4 Å²	99.4	59%	0.592	49%	0.488	S	S	*	.	H	α-helix	trans	-62.2	-42.9	178.3	-162.4	-102.9	0	0	0	112.8	I464 L465 F466 S470 T471 I472	I464-F468 WeakPolarHBondContact O-CB 3.44Å; I464-F468 PolarHBondContact O-N 2.89Å; L465-F468 PolarHBondContact O-N 2.91Å; F466-F468 PolarHBondContact O-N 3.08Å; F468-S470 VanDerWaalsContact C-N 3.33Å; F468-T471 PolarHBondContact O-N 3.44Å; F468-T471 PolarHBondContact O-OG1 3.14Å; F468-I472 HydrophobicContact CD1-CD1 3.62Å; F468-I472 HydrophobicContact CD1-CG1 4.49Å; F468-I472 HydrophobicContact CE1-CD1 3.41Å; F468-I472 VanDerWaalsContact CE1-CD1 3.41Å; F468-I472 HydrophobicContact CE1-CG1 4.41Å; F468-I472 HydrophobicContact CZ-CD1 4.18Å; F468-I472 WeakPolarHBondContact O-CG1 3.29Å; F468-I472 PolarHBondContact O-N 3.14Å
469	Y	77.6	Confident	70.7	Confident	157 Å²	157	101 Å²	101	62%	0.616	50%	0.498	S	S	*	.	H	α-helix	trans	-64.4	-40	173.8	-175.4	-92.6	0	0	0	111.5	L465 F466 L467 I472 Y473	L465-Y469 WeakPolarHBondContact O-CB 3.43Å; L465-Y469 PolarHBondContact O-N 2.78Å; F466-Y469 PolarHBondContact O-N 2.83Å; L467-Y469 PolarHBondContact O-N 2.94Å; Y469-I472 PolarHBondContact O-N 2.77Å; Y469-Y473 WeakPolarHBondContact O-CB 3.46Å; Y469-Y473 PolarHBondContact O-N 2.93Å
470	S	75.8	Confident	68.7	Low	29 Å²	29	98.6 Å²	98.6	20%	0.203	50%	0.495	C	S	.	.	H	α-helix	trans	-63.6	-43.5	177.2	-55	0	0	0	0	111.4	F466 L467 F468 Y473 I474	F466-S470 WeakPolarHBondContact O-CB 2.88Å; F466-S470 PolarHBondContact O-N 2.86Å; F466-S470 PolarHBondContact O-OG 3.34Å; L467-S470 WeakPolarHBondContact O-CB 3.16Å; L467-S470 PolarHBondContact O-N 3.46Å; L467-S470 VanDerWaalsContact O-N 3.15Å; F468-S470 VanDerWaalsContact C-N 3.33Å; S470-Y473 PolarHBondContact O-N 3.39Å; S470-I474 WeakPolarHBondContact O-CB 3.11Å; S470-I474 WeakPolarHBondContact O-CG1 3.39Å; S470-I474 PolarHBondContact O-N 2.95Å
471	T	75.4	Confident	66.4	Low	77 Å²	77	102.2 Å²	102.2	47%	0.472	50%	0.502	S	S	.	.	H	α-helix	trans	-65	-44	175	5	0	0	0	0	111.4	L467 F468 Y473 I474 L475	L467-T471 PolarHBondContact O-N 2.82Å; L467-T471 PolarHBondContact O-OG1 3.35Å; F468-T471 PolarHBondContact O-N 3.44Å; F468-T471 PolarHBondContact O-OG1 3.14Å; T471-Y473 VanDerWaalsContact C-N 3.33Å; T471-Y473 PolarHBondContact O-N 3.12Å; T471-I474 PolarHBondContact O-N 3.05Å; T471-L475 WeakPolarHBondContact O-CB 3.39Å; T471-L475 WeakPolarHBondContact O-CD1 3.37Å; T471-L475 WeakPolarHBondContact O-CG 3.37Å; T471-L475 PolarHBondContact O-N 3.02Å
472	I	71.5	Confident	63.9	Low	72 Å²	72	102.6 Å²	102.6	37%	0.369	51%	0.505	S	S	.	.	H	α-helix	trans	-62.7	-41.3	175.6	-70.2	172.9	0	0	0	110.9	F468 Y469 L475 N476	F468-I472 HydrophobicContact CD1-CD1 3.62Å; F468-I472 HydrophobicContact CD1-CG1 4.49Å; F468-I472 HydrophobicContact CE1-CD1 3.41Å; F468-I472 VanDerWaalsContact CE1-CD1 3.41Å; F468-I472 HydrophobicContact CE1-CG1 4.41Å; F468-I472 HydrophobicContact CZ-CD1 4.18Å; F468-I472 WeakPolarHBondContact O-CG1 3.29Å; F468-I472 PolarHBondContact O-N 3.14Å; Y469-I472 PolarHBondContact O-N 2.77Å; I472-L475 PolarHBondContact O-N 2.89Å; I472-N476 VanDerWaalsContact O-CB 3.24Å; I472-N476 WeakPolarHBondContact O-CB 3.41Å; I472-N476 PolarHBondContact O-N 3.45Å; I472-N476 PolarHBondContact O-ND2 2.93Å
473	Y	68.1	Low	61.4	Low	119 Å²	119	104.1 Å²	104.1	47%	0.467	51%	0.508	S	S	.	.	H	α-helix	trans	-67.9	-41.6	178.6	-178.8	-95.5	0	0	0	111.5	Y469 S470 T471 N476 K477	Y469-Y473 WeakPolarHBondContact O-CB 3.46Å; Y469-Y473 PolarHBondContact O-N 2.93Å; S470-Y473 PolarHBondContact O-N 3.39Å; T471-Y473 VanDerWaalsContact C-N 3.33Å; T471-Y473 PolarHBondContact O-N 3.12Å; Y473-N476 PolarHBondContact O-N 2.99Å; Y473-K477 HydrophobicContact CE1-CB 4.48Å; Y473-K477 HydrophobicContact CE1-CD 3.69Å; Y473-K477 WeakPolarHBondContact O-CA 3.37Å; Y473-K477 WeakPolarHBondContact O-CB 3.46Å; Y473-K477 PolarHBondContact O-N 3.01Å
474	I	62.9	Low	58.8	Low	93 Å²	93	108 Å²	108	48%	0.477	52%	0.517	S	S	.	.	H	α-helix	trans	-68.7	-41.3	175	-68.8	167.1	0	0	0	110.5	S470 T471 K477 N478	S470-I474 WeakPolarHBondContact O-CB 3.11Å; S470-I474 WeakPolarHBondContact O-CG1 3.39Å; S470-I474 PolarHBondContact O-N 2.95Å; T471-I474 PolarHBondContact O-N 3.05Å; I474-K477 PolarHBondContact O-N 2.97Å; I474-N478 WeakPolarHBondContact O-CB 3.42Å; I474-N478 PolarHBondContact O-N 3.46Å
475	L	57.5	Low	56.1	Low	103 Å²	103	109.9 Å²	109.9	54%	0.539	53%	0.528	S	S	.	.	H	α-helix	trans	-60.9	-45.6	173.7	-79.1	163	0	0	0	110.7	T471 I472 N479	T471-L475 WeakPolarHBondContact O-CB 3.39Å; T471-L475 WeakPolarHBondContact O-CD1 3.37Å; T471-L475 WeakPolarHBondContact O-CG 3.37Å; T471-L475 PolarHBondContact O-N 3.02Å; I472-L475 PolarHBondContact O-N 2.89Å; L475-N479 WeakPolarHBondContact O-CB 3.46Å; L475-N479 PolarHBondContact O-N 3.21Å; L475-N479 PolarHBondContact O-ND2 3.25Å
476	N	51.3	Low	53.6	Low	88 Å²	88	109.4 Å²	109.4	47%	0.471	53%	0.525	S	S	.	.	H	α-helix	trans	-68.5	-38.1	176.1	-82.7	-27.7	0	0	0	112.3	I472 Y473 N479 L480	I472-N476 VanDerWaalsContact O-CB 3.24Å; I472-N476 WeakPolarHBondContact O-CB 3.41Å; I472-N476 PolarHBondContact O-N 3.45Å; I472-N476 PolarHBondContact O-ND2 2.93Å; Y473-N476 PolarHBondContact O-N 2.99Å; N476-N479 CarbonylContact O-C 3.55Å; N476-N479 PolarHBondContact O-N 3.47Å; N476-L480 WeakPolarHBondContact O-CB 3.48Å; N476-L480 WeakPolarHBondContact O-CD1 3.14Å; N476-L480 PolarHBondContact O-N 3.13Å
477	K	43.3	Very low	51.2	Low	97 Å²	97	106.5 Å²	106.5	42%	0.422	51%	0.513	S	S	.	.	H	α-helix	trans	-75	-35.3	179.9	-169.9	173.5	-176.2	174.1	0	112.1	Y473 I474 L480 K481	Y473-K477 HydrophobicContact CE1-CB 4.48Å; Y473-K477 HydrophobicContact CE1-CD 3.69Å; Y473-K477 WeakPolarHBondContact O-CA 3.37Å; Y473-K477 WeakPolarHBondContact O-CB 3.46Å; Y473-K477 PolarHBondContact O-N 3.01Å; I474-K477 PolarHBondContact O-N 2.97Å; K477-L480 PolarHBondContact O-N 3.25Å; K477-K481 WeakPolarHBondContact O-CB 3.32Å; K477-K481 PolarHBondContact O-N 2.99Å
478	N	39.5	Very low	49	Very low	88 Å²	88	106.3 Å²	106.3	47%	0.471	51%	0.512	S	S	.	.	H	α-helix	trans	-69.3	-37.8	169.9	-74.3	-11.8	0	0	0	110.2	I474 L480 N482	I474-N478 WeakPolarHBondContact O-CB 3.42Å; I474-N478 PolarHBondContact O-N 3.46Å; N478-L480 VanDerWaalsContact C-N 3.32Å; N478-L480 PolarHBondContact O-N 3.12Å; N478-N482 WeakPolarHBondContact O-CB 3.36Å; N478-N482 VanDerWaalsContact O-CG 3.24Å; N478-N482 PolarHBondContact O-N 3.47Å; N478-N482 PolarHBondContact O-ND2 3.44Å
479	N	35.4	Very low	46.9	Very low	96 Å²	96	104.6 Å²	104.6	51%	0.513	51%	0.509	S	S	.	.	H	α-helix	trans	-63	-36	169.3	-76.2	-21.9	0	0	0	112.3	L475 N476 F483	L475-N479 WeakPolarHBondContact O-CB 3.46Å; L475-N479 PolarHBondContact O-N 3.21Å; L475-N479 PolarHBondContact O-ND2 3.25Å; N476-N479 CarbonylContact O-C 3.55Å; N476-N479 PolarHBondContact O-N 3.47Å; N479-F483 WeakPolarHBondContact O-CB 3.27Å; N479-F483 WeakPolarHBondContact O-CD2 3.28Å; N479-F483 PolarHBondContact O-N 2.72Å
480	L	34.6	Very low	45.2	Very low	104 Å²	104	101.3 Å²	101.3	55%	0.545	50%	0.502	S	S	.	.	H	α-helix	trans	-79.4	-40.2	178.4	-97.8	112.1	0	0	0	113.6	N476 K477 N478 F483 Y484	N476-L480 WeakPolarHBondContact O-CB 3.48Å; N476-L480 WeakPolarHBondContact O-CD1 3.14Å; N476-L480 PolarHBondContact O-N 3.13Å; K477-L480 PolarHBondContact O-N 3.25Å; N478-L480 VanDerWaalsContact C-N 3.32Å; N478-L480 PolarHBondContact O-N 3.12Å; L480-F483 WeakPolarHBondContact O-CB 3.42Å; L480-F483 PolarHBondContact O-N 3.01Å; L480-Y484 HydrophobicContact CD2-CE2 4.49Å; L480-Y484 WeakPolarHBondContact O-CD2 3.44Å; L480-Y484 PolarHBondContact O-N 3.39Å
481	K	30.5	Very low	44.4	Very low	143 Å²	143	101.4 Å²	101.4	62%	0.622	50%	0.502	S	S	*	.	H	α-helix	trans	-71.7	-35.1	176.9	-103.3	-175.1	172.1	-173.1	0	111.9	K477 F483	K477-K481 WeakPolarHBondContact O-CB 3.32Å; K477-K481 PolarHBondContact O-N 2.99Å; K481-F483 PolarHBondContact O-N 3.27Å
482	N	28.2	Very low	43.9	Very low	102 Å²	102	98.5 Å²	98.5	55%	0.545	48%	0.483	S	S	.	.	H	α-helix	trans	-68.9	-22.2	170.4	-71.8	-11.7	0	0	0	112.1	N478	N478-N482 WeakPolarHBondContact O-CB 3.36Å; N478-N482 VanDerWaalsContact O-CG 3.24Å; N478-N482 PolarHBondContact O-N 3.47Å; N478-N482 PolarHBondContact O-ND2 3.44Å
483	F	29.7	Very low	43.7	Very low	126 Å²	126	97.1 Å²	97.1	55%	0.553	48%	0.479	S	S	*	.	H	α-helix	trans	-79.1	-25.2	178.7	-116.1	-107.4	0	0	0	115	N479 L480 K481 K487	N479-F483 WeakPolarHBondContact O-CB 3.27Å; N479-F483 WeakPolarHBondContact O-CD2 3.28Å; N479-F483 PolarHBondContact O-N 2.72Å; L480-F483 WeakPolarHBondContact O-CB 3.42Å; L480-F483 PolarHBondContact O-N 3.01Å; K481-F483 PolarHBondContact O-N 3.27Å; F483-K487 HydrophobicContact CD1-CD 4.15Å; F483-K487 HydrophobicContact CE1-CD 4.44Å; F483-K487 WeakPolarHBondContact O-CB 3.26Å; F483-K487 WeakPolarHBondContact O-CD 3.43Å
484	Y	31.6	Very low	43.6	Very low	187 Å²	187	95.7 Å²	95.7	73%	0.733	49%	0.486	S	S	*	.	H	α-helix	trans	-98.6	-29.7	-174.2	-83.1	-77.1	0	0	0	114.5	L480	L480-Y484 HydrophobicContact CD2-CE2 4.49Å; L480-Y484 WeakPolarHBondContact O-CD2 3.44Å; L480-Y484 PolarHBondContact O-N 3.39Å
485	N	27.9	Very low	44.2	Very low	152 Å²	152	92 Å²	92	81%	0.813	47%	0.467	S	S	*	.	H	α-helix	trans	-102.9	-12.3	-174	-78.8	-3.5	0	0	0	115.8
486	L	30.3	Very low	45.1	Very low	97 Å²	97	88.4 Å²	88.4	51%	0.508	45%	0.448	S	S	.	.	S	Bend	trans	-103.9	0.2	178.5	-77.3	157.7	0	0	0	114.1	N488 D490	L486-N488 PolarHBondContact O-N 3.47Å; L486-D490 WeakPolarHBondContact CD2-OD2 3.32Å; L486-D490 WeakPolarHBondContact O-CB 3.43Å
487	K	35.2	Very low	46.7	Very low	74 Å²	74	84.9 Å²	84.9	32%	0.322	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	9.3	-156.1	-144.4	-178.1	177.7	178.1	0	118.6	F483 T491	F483-K487 HydrophobicContact CD1-CD 4.15Å; F483-K487 HydrophobicContact CE1-CD 4.44Å; F483-K487 WeakPolarHBondContact O-CB 3.26Å; F483-K487 WeakPolarHBondContact O-CD 3.43Å; K487-T491 HydrophobicContact CB-CG2 4.49Å; K487-T491 HydrophobicContact CG-CG2 3.49Å; K487-T491 VanDerWaalsContact CG-CG2 3.49Å; K487-T491 PolarHBondContact O-OG1 3.22Å
488	N	40.5	Very low	48.8	Very low	94 Å²	94	80.2 Å²	80.2	50%	0.503	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-37	175.3	-78.6	2.9	0	0	0	113.4	L486 I492	L486-N488 PolarHBondContact O-N 3.47Å; N488-I492 VanDerWaalsContact O-CD1 3.26Å; N488-I492 WeakPolarHBondContact O-CD1 3.44Å; N488-I492 VanDerWaalsContact O-CG1 3.28Å; N488-I492 WeakPolarHBondContact O-CG1 3.29Å
489	N	38.2	Very low	51	Low	98 Å²	98	79.7 Å²	79.7	52%	0.524	40%	0.403	S	S	.	.	H	α-helix	trans	-83.6	-55	174.5	-76.4	-0.7	0	0	0	110.5	T491 I492 C493	N489-T491 VanDerWaalsContact C-N 3.28Å; N489-T491 PolarHBondContact O-N 3.38Å; N489-T491 VanDerWaalsContact O-N 3.14Å; N489-I492 PolarHBondContact O-N 3.2Å; N489-C493 VanDerWaalsContact C-SG 3.51Å; N489-C493 PolarHBondContact O-N 2.69Å; N489-C493 PolarHBondContact O-SG 3.31Å
490	D	42.4	Very low	53.2	Low	88 Å²	88	80 Å²	80	47%	0.471	40%	0.401	S	S	.	.	H	α-helix	trans	-58.9	-35.1	-173.4	-67.1	-16.7	0	0	0	113.7	L486 C493 S494	L486-D490 WeakPolarHBondContact CD2-OD2 3.32Å; L486-D490 WeakPolarHBondContact O-CB 3.43Å; D490-C493 WeakPolarHBondContact O-CB 3.27Å; D490-C493 PolarHBondContact O-N 3.28Å; D490-S494 PolarHBondContact O-N 2.92Å; D490-S494 VanDerWaalsContact O-N 3.08Å; D490-S494 PolarHBondContact O-OG 3.2Å
491	T	58.6	Low	55.6	Low	32 Å²	32	75.3 Å²	75.3	20%	0.196	38%	0.376	C	S	.	.	H	α-helix	trans	-75.7	-29.9	179.4	59.8	0	0	0	0	113.6	K487 N489 Y495 Y550	K487-T491 HydrophobicContact CB-CG2 4.49Å; K487-T491 HydrophobicContact CG-CG2 3.49Å; K487-T491 VanDerWaalsContact CG-CG2 3.49Å; K487-T491 PolarHBondContact O-OG1 3.22Å; N489-T491 VanDerWaalsContact C-N 3.28Å; N489-T491 PolarHBondContact O-N 3.38Å; N489-T491 VanDerWaalsContact O-N 3.14Å; T491-Y495 PolarHBondContact O-N 3.28Å; T491-Y550 WeakPolarHBondContact CB-OH 3.45Å; T491-Y550 PolarHBondContact O-OH 3.24Å; T491-Y550 WeakPolarHBondContact OG1-CE2 3.47Å; T491-Y550 PolarHBondContact OG1-OH 3.16Å
492	I	65.7	Low	58.2	Low	16 Å²	16	68.9 Å²	68.9	8%	0.082	35%	0.349	C	S	.	.	H	α-helix	trans	-73.7	-36.5	172.2	-64.7	176.5	0	0	0	109	N488 N489 S494 Y495 I548 Y550 L561 L647 P654	N488-I492 VanDerWaalsContact O-CD1 3.26Å; N488-I492 WeakPolarHBondContact O-CD1 3.44Å; N488-I492 VanDerWaalsContact O-CG1 3.28Å; N488-I492 WeakPolarHBondContact O-CG1 3.29Å; N489-I492 PolarHBondContact O-N 3.2Å; I492-S494 PolarHBondContact O-N 3.08Å; I492-Y495 WeakPolarHBondContact O-CB 3.39Å; I492-Y495 PolarHBondContact O-N 2.95Å; I492-Y495 VanDerWaalsContact O-N 3.16Å; I492-I548 HydrophobicContact CD1-CB 4Å; I492-I548 HydrophobicContact CD1-CD1 3.94Å; I492-I548 HydrophobicContact CD1-CG2 4.32Å; I492-Y550 PolarHBondContact N-OH 3.02Å; I492-L561 HydrophobicContact CG1-CD1 4.4Å; I492-L647 HydrophobicContact CG2-CD1 4.02Å; I492-P654 HydrophobicContact CG2-CB 4.41Å; I492-P654 HydrophobicContact CG2-CG 3.63Å
493	C	66.2	Low	60.7	Low	43 Å²	43	69.8 Å²	69.8	29%	0.291	35%	0.353	S	S	.	.	H	α-helix	trans	-61.9	-40.4	177	-54.6	0	0	0	0	113.5	N489 D490 Y495 C655	N489-C493 VanDerWaalsContact C-SG 3.51Å; N489-C493 PolarHBondContact O-N 2.69Å; N489-C493 PolarHBondContact O-SG 3.31Å; D490-C493 WeakPolarHBondContact O-CB 3.27Å; D490-C493 PolarHBondContact O-N 3.28Å; C493-Y495 VanDerWaalsContact C-N 3.3Å; C493-C655 WeakPolarHBondContact CA-SG 3.11Å; C493-C655 HydrophobicContact CB-CB 3.77Å; C493-C655 WeakPolarHBondContact CB-SG 3.48Å; C493-C655 WeakPolarHBondContact SG-CB 3.38Å; C493-C655 CovalentContact SG-SG 1.98Å; C493-C655 PolarHBondContact SG-SG 3.46Å
494	S	67.2	Low	63.1	Low	88 Å²	88	67.1 Å²	67.1	62%	0.615	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	9.3	177.4	70.2	0	0	0	0	113	D490 I492 D496	D490-S494 PolarHBondContact O-N 2.92Å; D490-S494 VanDerWaalsContact O-N 3.08Å; D490-S494 PolarHBondContact O-OG 3.2Å; I492-S494 PolarHBondContact O-N 3.08Å; S494-D496 PolarHBondContact O-N 2.85Å; S494-D496 VanDerWaalsContact O-N 3.1Å
495	Y	73.9	Confident	65.1	Low	17 Å²	17	63 Å²	63	7%	0.067	33%	0.333	C	S	.	.			trans	-69.3	110.9	-174.2	-177	-109.3	0	0	0	111.5	T491 I492 C493 K497 Y550 G559 L561 A644	T491-Y495 PolarHBondContact O-N 3.28Å; I492-Y495 WeakPolarHBondContact O-CB 3.39Å; I492-Y495 PolarHBondContact O-N 2.95Å; I492-Y495 VanDerWaalsContact O-N 3.16Å; C493-Y495 VanDerWaalsContact C-N 3.3Å; Y495-K497 HydrophobicContact CE1-CB 4.42Å; Y495-K497 HydrophobicContact CE2-CB 3.92Å; Y495-K497 WeakPolarHBondContact OH-CB 3.34Å; Y495-Y550 HydrophobicContact CD2-CE1 4.27Å; Y495-G559 WeakPolarHBondContact CE2-O 3.4Å; Y495-L561 HydrophobicContact CD1-CB 4.12Å; Y495-L561 HydrophobicContact CD1-CD2 4.04Å; Y495-L561 HydrophobicContact CE1-CB 3.56Å; Y495-L561 HydrophobicContact CE1-CD2 4.08Å; Y495-L561 HydrophobicContact CE1-CG 4.45Å; Y495-L561 HydrophobicContact CE2-CB 4.06Å; Y495-L561 PolarHBondContact OH-N 3.46Å; Y495-A644 WeakPolarHBondContact CE1-O 3.49Å; Y495-A644 VanDerWaalsContact CZ-O 3.23Å; Y495-A644 PolarHBondContact OH-O 3.17Å
496	D	77.5	Confident	67.2	Low	26 Å²	26	61.1 Å²	61.1	14%	0.139	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-142.3	78	174.2	-161.6	-14.8	0	0	0	110.3	S494 L498 E499 R646	S494-D496 PolarHBondContact O-N 2.85Å; S494-D496 VanDerWaalsContact O-N 3.1Å; D496-L498 VanDerWaalsContact C-N 3.3Å; D496-L498 PolarHBondContact OD1-N 3.31Å; D496-E499 HydrophobicContact CB-CB 4.37Å; D496-E499 PolarHBondContact OD1-N 3.13Å; D496-R646 IonicContact OD1-CZ 3.88Å; D496-R646 IonicContact OD1-NH1 3.71Å; D496-R646 IonicContact OD2-CZ 3.52Å; D496-R646 IonicContact OD2-NH1 3.42Å; D496-R646 PolarHBondContact OD2-NH1 2.8Å; D496-R646 IonicContact OD2-NH2 3.26Å; D496-R646 PolarHBondContact OD2-NH2 3.02Å
497	K	84.1	Confident	69.3	Low	14 Å²	14	58.1 Å²	58.1	6%	0.061	31%	0.309	C	S	.	.	H	α-helix	trans	-72.3	-30.1	176	-164.5	72.3	-170.6	175.5	0	111.4	Y495 E499 E500 I501 F511 L560 V645	Y495-K497 HydrophobicContact CE1-CB 4.42Å; Y495-K497 HydrophobicContact CE2-CB 3.92Å; Y495-K497 WeakPolarHBondContact OH-CB 3.34Å; K497-E499 VanDerWaalsContact C-N 3.34Å; K497-E499 PolarHBondContact O-N 2.87Å; K497-E500 WeakPolarHBondContact CD-OE2 3.45Å; K497-E500 WeakPolarHBondContact CE-OE2 3.42Å; K497-E500 IonicContact NZ-OE1 2.57Å; K497-E500 PolarHBondContact NZ-OE1 3.34Å; K497-E500 IonicContact NZ-OE2 2.66Å; K497-E500 PolarHBondContact NZ-OE2 3.24Å; K497-E500 PolarHBondContact O-N 2.89Å; K497-I501 HydrophobicContact CG-CG2 4.05Å; K497-I501 WeakPolarHBondContact O-CG1 3.32Å; K497-I501 WeakPolarHBondContact O-CG2 3.45Å; K497-I501 PolarHBondContact O-N 3.3Å; K497-F511 HydrophobicContact CG-CE2 4.25Å; K497-L560 HydrophobicContact CD-CD2 3.65Å; K497-L560 HydrophobicContact CG-CD2 3.59Å; K497-V645 HydrophobicContact CB-CB 4.29Å; K497-V645 PolarHBondContact N-O 3.28Å
498	L	87.6	Confident	71.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.9	-40.4	-179.3	-174.3	59.2	0	0	0	112.1	D496 I501 T502 V645 R646 L703 I754	D496-L498 VanDerWaalsContact C-N 3.3Å; D496-L498 PolarHBondContact OD1-N 3.31Å; L498-I501 HydrophobicContact CD1-CD1 3.96Å; L498-I501 HydrophobicContact CD1-CG1 4.21Å; L498-I501 WeakPolarHBondContact O-CG1 3.39Å; L498-T502 HydrophobicContact CD1-CG2 3.99Å; L498-T502 WeakPolarHBondContact O-CB 3.38Å; L498-T502 VanDerWaalsContact O-CG2 3.27Å; L498-T502 WeakPolarHBondContact O-CG2 3.26Å; L498-T502 PolarHBondContact O-N 3.12Å; L498-T502 VanDerWaalsContact O-N 3.16Å; L498-T502 PolarHBondContact O-OG1 3.44Å; L498-V645 HydrophobicContact CB-CG2 4.44Å; L498-V645 HydrophobicContact CD1-CG2 4.46Å; L498-V645 PolarHBondContact N-O 3.46Å; L498-V645 VanDerWaalsContact N-O 3.14Å; L498-R646 HydrophobicContact CB-CB 4.35Å; L498-R646 HydrophobicContact CD2-CB 4.34Å; L498-L703 HydrophobicContact CD1-CD2 4.32Å; L498-I754 HydrophobicContact CD2-CD1 3.38Å
499	E	84.8	Confident	73	Confident	76 Å²	76	55 Å²	55	36%	0.355	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-48.6	174.6	-173.2	163.4	-143.7	0	0	111.3	D496 K497 I501 T502 L503 K747	D496-E499 HydrophobicContact CB-CB 4.37Å; D496-E499 PolarHBondContact OD1-N 3.13Å; K497-E499 VanDerWaalsContact C-N 3.34Å; K497-E499 PolarHBondContact O-N 2.87Å; E499-I501 PolarHBondContact O-N 2.91Å; E499-T502 PolarHBondContact O-N 3.2Å; E499-T502 PolarHBondContact O-OG1 3.47Å; E499-L503 WeakPolarHBondContact O-CG 3.2Å; E499-L503 PolarHBondContact O-N 2.97Å; E499-K747 IonicContact OE1-NZ 3.69Å; E499-K747 PolarHBondContact OE1-NZ 2.75Å; E499-K747 IonicContact OE2-NZ 2.75Å
500	E	82.4	Confident	74.7	Confident	104 Å²	104	54.1 Å²	54.1	49%	0.486	29%	0.289	S	S	.	.	H	α-helix	trans	-57	-46.8	178.5	-171.7	-168	142.5	0	0	112.4	K497 T502 L503	K497-E500 WeakPolarHBondContact CD-OE2 3.45Å; K497-E500 WeakPolarHBondContact CE-OE2 3.42Å; K497-E500 IonicContact NZ-OE1 2.57Å; K497-E500 PolarHBondContact NZ-OE1 3.34Å; K497-E500 IonicContact NZ-OE2 2.66Å; K497-E500 PolarHBondContact NZ-OE2 3.24Å; K497-E500 PolarHBondContact O-N 2.89Å; E500-T502 VanDerWaalsContact C-N 3.27Å; E500-T502 PolarHBondContact O-N 3.04Å; E500-L503 WeakPolarHBondContact O-CG 3.42Å; E500-L503 PolarHBondContact O-N 2.92Å
501	I	84.9	Confident	76.6	Confident	4 Å²	4	50 Å²	50	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-76.7	-15.8	-175.3	69.6	-179	0	0	0	112.5	K497 L498 E499 W508 F511 V645	K497-I501 HydrophobicContact CG-CG2 4.05Å; K497-I501 WeakPolarHBondContact O-CG1 3.32Å; K497-I501 WeakPolarHBondContact O-CG2 3.45Å; K497-I501 PolarHBondContact O-N 3.3Å; L498-I501 HydrophobicContact CD1-CD1 3.96Å; L498-I501 HydrophobicContact CD1-CG1 4.21Å; L498-I501 WeakPolarHBondContact O-CG1 3.39Å; E499-I501 PolarHBondContact O-N 2.91Å; I501-W508 HydrophobicContact CD1-CE3 4.24Å; I501-W508 HydrophobicContact CD1-CZ3 4.05Å; I501-W508 HydrophobicContact CG1-CE3 4.33Å; I501-W508 VanDerWaalsContact O-CA 3.26Å; I501-W508 WeakPolarHBondContact O-CA 3.26Å; I501-W508 WeakPolarHBondContact O-CB 3.49Å; I501-W508 PolarHBondContact O-N 3.15Å; I501-W508 VanDerWaalsContact O-N 3.08Å; I501-F511 HydrophobicContact CB-CB 3.91Å; I501-F511 HydrophobicContact CB-CD1 4.38Å; I501-F511 HydrophobicContact CB-CG 4Å; I501-F511 HydrophobicContact CD1-CD1 3.54Å; I501-F511 HydrophobicContact CD1-CD2 4.47Å; I501-F511 HydrophobicContact CD1-CE1 3.69Å; I501-F511 HydrophobicContact CD1-CG 3.95Å; I501-F511 HydrophobicContact CD1-CZ 4.21Å; I501-F511 HydrophobicContact CG2-CB 3.56Å; I501-F511 HydrophobicContact CG2-CD1 4.18Å; I501-F511 HydrophobicContact CG2-CD2 3.5Å; I501-F511 HydrophobicContact CG2-CE2 4.24Å; I501-F511 HydrophobicContact CG2-CG 3.44Å; I501-F511 VanDerWaalsContact CG2-CG 3.44Å; I501-V645 HydrophobicContact CD1-CG1 4.47Å
502	T	85.3	Confident	77.4	Confident	9 Å²	9	49.3 Å²	49.3	6%	0.055	26%	0.262	C	S	.	.	H	α-helix	trans	-98.3	-4.1	178.8	55	0	0	0	0	113.7	L498 E499 E500 N504 W736 A739 S743	L498-T502 HydrophobicContact CD1-CG2 3.99Å; L498-T502 WeakPolarHBondContact O-CB 3.38Å; L498-T502 VanDerWaalsContact O-CG2 3.27Å; L498-T502 WeakPolarHBondContact O-CG2 3.26Å; L498-T502 PolarHBondContact O-N 3.12Å; L498-T502 VanDerWaalsContact O-N 3.16Å; L498-T502 PolarHBondContact O-OG1 3.44Å; E499-T502 PolarHBondContact O-N 3.2Å; E499-T502 PolarHBondContact O-OG1 3.47Å; E500-T502 VanDerWaalsContact C-N 3.27Å; E500-T502 PolarHBondContact O-N 3.04Å; T502-N504 VanDerWaalsContact C-N 3.27Å; T502-N504 PolarHBondContact O-N 3.22Å; T502-W736 PolarHBondContact O-NE1 3.36Å; T502-A739 HydrophobicContact CG2-CB 3.78Å; T502-A739 WeakPolarHBondContact CG2-O 3.39Å; T502-S743 WeakPolarHBondContact OG1-CB 3.38Å; T502-S743 PolarHBondContact OG1-OG 3.09Å
503	L	81.5	Confident	77.4	Confident	120 Å²	120	51.1 Å²	51.1	63%	0.628	27%	0.268	S	S	*	.	S	Bend	trans	-52.2	-42.8	177.2	-72.9	175.6	0	0	0	113	E499 E500	E499-L503 WeakPolarHBondContact O-CG 3.2Å; E499-L503 PolarHBondContact O-N 2.97Å; E500-L503 WeakPolarHBondContact O-CG 3.42Å; E500-L503 PolarHBondContact O-N 2.92Å
504	N	79.4	Confident	77.4	Confident	70 Å²	70	53.4 Å²	53.4	37%	0.374	28%	0.275	S	S	.	.	S	Bend	trans	-152.8	160.1	175.4	57.2	68.3	0	0	0	110.7	T502 L506 S507 W508	T502-N504 VanDerWaalsContact C-N 3.27Å; T502-N504 PolarHBondContact O-N 3.22Å; N504-L506 VanDerWaalsContact C-N 3.26Å; N504-L506 PolarHBondContact O-N 2.8Å; N504-L506 PolarHBondContact OD1-N 3.21Å; N504-S507 VanDerWaalsContact CG-OG 3.26Å; N504-S507 PolarHBondContact ND2-OG 3.41Å; N504-S507 WeakPolarHBondContact O-CB 3.47Å; N504-S507 PolarHBondContact O-N 3.04Å; N504-S507 VanDerWaalsContact O-N 3.13Å; N504-S507 WeakPolarHBondContact OD1-CB 3.42Å; N504-S507 PolarHBondContact OD1-N 3.26Å; N504-S507 PolarHBondContact OD1-OG 3.36Å; N504-W508 PolarHBondContact O-N 3.14Å; N504-W508 VanDerWaalsContact O-N 3.17Å
505	E	73.4	Confident	77.4	Confident	102 Å²	102	49.9 Å²	49.9	48%	0.477	25%	0.249	S	C	.	.	H	α-helix	trans	-60.8	-33.4	-177.2	-174.6	168	-155.1	0	0	113	W508 I509 W736	E505-W508 WeakPolarHBondContact O-CB 3.18Å; E505-W508 PolarHBondContact O-N 2.77Å; E505-I509 HydrophobicContact CG-CD1 4.01Å; E505-I509 WeakPolarHBondContact O-CG1 3.37Å; E505-I509 PolarHBondContact O-N 2.99Å; E505-W736 HydrophobicContact CB-CB 4.5Å; E505-W736 HydrophobicContact CB-CD2 3.85Å; E505-W736 HydrophobicContact CB-CE3 4.14Å; E505-W736 HydrophobicContact CB-CG 4Å; E505-W736 HydrophobicContact CG-CB 4.15Å; E505-W736 HydrophobicContact CG-CD2 4.41Å; E505-W736 HydrophobicContact CG-CG 4.19Å
506	L	73.2	Confident	76.9	Confident	111 Å²	111	53.5 Å²	53.5	58%	0.581	27%	0.265	S	S	*	.	H	α-helix	trans	-65.2	-40.6	176.1	-177.9	63	0	0	0	112	N504 W508 I509 N510	N504-L506 VanDerWaalsContact C-N 3.26Å; N504-L506 PolarHBondContact O-N 2.8Å; N504-L506 PolarHBondContact OD1-N 3.21Å; L506-W508 VanDerWaalsContact C-N 3.3Å; L506-W508 PolarHBondContact O-N 2.8Å; L506-I509 PolarHBondContact O-N 3.24Å; L506-N510 VanDerWaalsContact O-CB 3.25Å; L506-N510 WeakPolarHBondContact O-CB 3.13Å; L506-N510 PolarHBondContact O-N 2.8Å; L506-N510 PolarHBondContact O-ND2 3.07Å
507	S	74.2	Confident	75.6	Confident	35 Å²	35	53.2 Å²	53.2	25%	0.245	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-37.8	176.6	-57.5	0	0	0	0	111	N504 F511	N504-S507 VanDerWaalsContact CG-OG 3.26Å; N504-S507 PolarHBondContact ND2-OG 3.41Å; N504-S507 WeakPolarHBondContact O-CB 3.47Å; N504-S507 PolarHBondContact O-N 3.04Å; N504-S507 VanDerWaalsContact O-N 3.13Å; N504-S507 WeakPolarHBondContact OD1-CB 3.42Å; N504-S507 PolarHBondContact OD1-N 3.26Å; N504-S507 PolarHBondContact OD1-OG 3.36Å; S507-F511 VanDerWaalsContact O-CB 3.32Å; S507-F511 WeakPolarHBondContact O-CB 3.41Å; S507-F511 PolarHBondContact O-N 3.5Å
508	W	79.1	Confident	74	Confident	11 Å²	11	53.6 Å²	53.6	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-51.8	173.2	170.5	-106	0	0	0	112.2	I501 N504 E505 L506 N510 F511 I512 L703 P704 W736 A739	I501-W508 HydrophobicContact CD1-CE3 4.24Å; I501-W508 HydrophobicContact CD1-CZ3 4.05Å; I501-W508 HydrophobicContact CG1-CE3 4.33Å; I501-W508 VanDerWaalsContact O-CA 3.26Å; I501-W508 WeakPolarHBondContact O-CA 3.26Å; I501-W508 WeakPolarHBondContact O-CB 3.49Å; I501-W508 PolarHBondContact O-N 3.15Å; I501-W508 VanDerWaalsContact O-N 3.08Å; N504-W508 PolarHBondContact O-N 3.14Å; N504-W508 VanDerWaalsContact O-N 3.17Å; E505-W508 WeakPolarHBondContact O-CB 3.18Å; E505-W508 PolarHBondContact O-N 2.77Å; L506-W508 VanDerWaalsContact C-N 3.3Å; L506-W508 PolarHBondContact O-N 2.8Å; W508-N510 VanDerWaalsContact C-N 3.33Å; W508-N510 PolarHBondContact O-N 3.4Å; W508-F511 PolarHBondContact O-N 3.36Å; W508-F511 VanDerWaalsContact O-N 3.15Å; W508-I512 HydrophobicContact CD2-CG1 4.14Å; W508-I512 HydrophobicContact CH2-CD1 3.77Å; W508-I512 HydrophobicContact CH2-CG1 4.25Å; W508-I512 HydrophobicContact CZ2-CD1 3.7Å; W508-I512 HydrophobicContact CZ2-CG1 3.84Å; W508-I512 HydrophobicContact CZ3-CD1 4.29Å; W508-I512 WeakPolarHBondContact O-CG1 3.49Å; W508-I512 PolarHBondContact O-N 3.07Å; W508-L703 HydrophobicContact CH2-CB 3.97Å; W508-L703 HydrophobicContact CH2-CD1 4.09Å; W508-L703 HydrophobicContact CH2-CD2 3.91Å; W508-L703 HydrophobicContact CH2-CG 4.19Å; W508-L703 HydrophobicContact CZ3-CD1 4.17Å; W508-L703 HydrophobicContact CZ3-CD2 3.93Å; W508-L703 HydrophobicContact CZ3-CG 4.49Å; W508-P704 HydrophobicContact CZ2-CB 4.48Å; W508-W736 VanDerWaalsContact CB-CD1 3.5Å; W508-W736 HydrophobicContact CB-CG 4.3Å; W508-W736 HydrophobicContact CG-CB 4.13Å; W508-W736 AromaticContact CG-CD1 3.83Å; W508-W736 HydrophobicContact CG-CG 4.36Å; W508-A739 HydrophobicContact CD2-CB 4.21Å; W508-A739 HydrophobicContact CE3-CB 3.78Å; W508-A739 HydrophobicContact CH2-CB 3.75Å; W508-A739 HydrophobicContact CZ2-CB 4.17Å; W508-A739 HydrophobicContact CZ3-CB 3.54Å
509	I	72.7	Confident	72	Confident	92 Å²	92	58 Å²	58	47%	0.472	29%	0.289	S	S	.	.	H	α-helix	trans	-59.6	-46	177.7	-68.7	166.9	0	0	0	110.4	E505 L506 F511 I512 Y513	E505-I509 HydrophobicContact CG-CD1 4.01Å; E505-I509 WeakPolarHBondContact O-CG1 3.37Å; E505-I509 PolarHBondContact O-N 2.99Å; L506-I509 PolarHBondContact O-N 3.24Å; I509-F511 VanDerWaalsContact C-N 3.28Å; I509-F511 PolarHBondContact O-N 2.86Å; I509-I512 PolarHBondContact O-N 2.7Å; I509-Y513 WeakPolarHBondContact O-CB 3.22Å; I509-Y513 PolarHBondContact O-N 3.38Å
510	N	75.3	Confident	69.8	Low	78 Å²	78	55.7 Å²	55.7	42%	0.417	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-37.2	177	-76.5	-24.9	0	0	0	112.2	L506 W508 Y513 Q514	L506-N510 VanDerWaalsContact O-CB 3.25Å; L506-N510 WeakPolarHBondContact O-CB 3.13Å; L506-N510 PolarHBondContact O-N 2.8Å; L506-N510 PolarHBondContact O-ND2 3.07Å; W508-N510 VanDerWaalsContact C-N 3.33Å; W508-N510 PolarHBondContact O-N 3.4Å; N510-Y513 WeakPolarHBondContact O-CB 2.87Å; N510-Q514 WeakPolarHBondContact O-CB 3.33Å; N510-Q514 VanDerWaalsContact O-CG 3.26Å; N510-Q514 WeakPolarHBondContact O-CG 3.47Å; N510-Q514 PolarHBondContact O-N 3.43Å
511	F	81.1	Confident	67.6	Low	3 Å²	3	51.9 Å²	51.9	1%	0.013	26%	0.26	C	S	.	.	H	α-helix	trans	-70.5	-47.1	176.7	175.8	-98.2	0	0	0	112.3	K497 I501 S507 W508 I509 Y513 Q514 T515 L560 V645 L703 A756	K497-F511 HydrophobicContact CG-CE2 4.25Å; I501-F511 HydrophobicContact CB-CB 3.91Å; I501-F511 HydrophobicContact CB-CD1 4.38Å; I501-F511 HydrophobicContact CB-CG 4Å; I501-F511 HydrophobicContact CD1-CD1 3.54Å; I501-F511 HydrophobicContact CD1-CD2 4.47Å; I501-F511 HydrophobicContact CD1-CE1 3.69Å; I501-F511 HydrophobicContact CD1-CG 3.95Å; I501-F511 HydrophobicContact CD1-CZ 4.21Å; I501-F511 HydrophobicContact CG2-CB 3.56Å; I501-F511 HydrophobicContact CG2-CD1 4.18Å; I501-F511 HydrophobicContact CG2-CD2 3.5Å; I501-F511 HydrophobicContact CG2-CE2 4.24Å; I501-F511 HydrophobicContact CG2-CG 3.44Å; I501-F511 VanDerWaalsContact CG2-CG 3.44Å; S507-F511 VanDerWaalsContact O-CB 3.32Å; S507-F511 WeakPolarHBondContact O-CB 3.41Å; S507-F511 PolarHBondContact O-N 3.5Å; W508-F511 PolarHBondContact O-N 3.36Å; W508-F511 VanDerWaalsContact O-N 3.15Å; I509-F511 VanDerWaalsContact C-N 3.28Å; I509-F511 PolarHBondContact O-N 2.86Å; F511-Y513 PolarHBondContact O-N 3.29Å; F511-Q514 PolarHBondContact O-N 3.1Å; F511-T515 HydrophobicContact CD1-CG2 4.15Å; F511-T515 HydrophobicContact CD2-CG2 4.18Å; F511-T515 HydrophobicContact CE1-CG2 3.51Å; F511-T515 HydrophobicContact CE2-CG2 3.59Å; F511-T515 HydrophobicContact CG-CG2 4.45Å; F511-T515 HydrophobicContact CZ-CG2 3.22Å; F511-T515 WeakPolarHBondContact O-CG2 3.15Å; F511-T515 PolarHBondContact O-N 3.04Å; F511-T515 PolarHBondContact O-OG1 2.79Å; F511-L560 HydrophobicContact CE2-CD2 3.72Å; F511-V645 HydrophobicContact CE1-CG1 3.93Å; F511-V645 HydrophobicContact CE2-CG1 4.14Å; F511-V645 HydrophobicContact CZ-CG1 3.31Å; F511-L703 HydrophobicContact CD1-CD1 4.28Å; F511-L703 HydrophobicContact CE1-CD1 3.55Å; F511-A756 HydrophobicContact CE1-CB 4.3Å; F511-A756 HydrophobicContact CZ-CB 3.87Å
512	I	76.5	Confident	65.3	Low	16 Å²	16	54.1 Å²	54.1	8%	0.082	27%	0.272	C	S	.	.	H	α-helix	trans	-57.2	-35.4	174.8	-67.3	-61.6	0	0	0	110.8	W508 I509 T515 K516 L703	W508-I512 HydrophobicContact CD2-CG1 4.14Å; W508-I512 HydrophobicContact CH2-CD1 3.77Å; W508-I512 HydrophobicContact CH2-CG1 4.25Å; W508-I512 HydrophobicContact CZ2-CD1 3.7Å; W508-I512 HydrophobicContact CZ2-CG1 3.84Å; W508-I512 HydrophobicContact CZ3-CD1 4.29Å; W508-I512 WeakPolarHBondContact O-CG1 3.49Å; W508-I512 PolarHBondContact O-N 3.07Å; I509-I512 PolarHBondContact O-N 2.7Å; I512-T515 PolarHBondContact O-OG1 3.31Å; I512-K516 WeakPolarHBondContact O-CG 3.38Å; I512-K516 PolarHBondContact O-N 2.91Å; I512-L703 HydrophobicContact CD1-CD1 4.24Å
513	Y	66.2	Low	62.7	Low	54 Å²	54	59.1 Å²	59.1	21%	0.212	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-56.7	170.3	-165.8	-97	0	0	0	111.3	D167 L238 Y239 I509 N510 F511 T515 K516 F517	D167-Y513 PolarHBondContact OD1-OH 3.23Å; L238-Y513 HydrophobicContact CD2-CD2 4.44Å; L238-Y513 HydrophobicContact CD2-CE2 4.35Å; Y239-Y513 AromaticContact CE1-CE2 3.69Å; Y239-Y513 HydrophobicContact CE1-CE2 3.69Å; Y239-Y513 AromaticContact CZ-CE2 3.64Å; Y239-Y513 AromaticContact CZ-CZ 3.99Å; Y239-Y513 WeakPolarHBondContact OH-CE2 3.47Å; Y239-Y513 PolarHBondContact OH-OH 3.07Å; I509-Y513 WeakPolarHBondContact O-CB 3.22Å; I509-Y513 PolarHBondContact O-N 3.38Å; N510-Y513 WeakPolarHBondContact O-CB 2.87Å; F511-Y513 PolarHBondContact O-N 3.29Å; Y513-T515 VanDerWaalsContact C-N 3.3Å; Y513-T515 PolarHBondContact O-N 2.95Å; Y513-K516 WeakPolarHBondContact O-CB 3.44Å; Y513-K516 PolarHBondContact O-N 3.35Å; Y513-K516 VanDerWaalsContact O-N 3.13Å; Y513-F517 AromaticContact CD1-CD2 3.73Å; Y513-F517 HydrophobicContact CD1-CD2 3.73Å; Y513-F517 AromaticContact CD1-CE2 3.48Å; Y513-F517 HydrophobicContact CD1-CE2 3.48Å; Y513-F517 VanDerWaalsContact CD1-CE2 3.48Å; Y513-F517 HydrophobicContact CD1-CZ 4.08Å; Y513-F517 AromaticContact CD2-CE2 3.85Å; Y513-F517 HydrophobicContact CD2-CE2 3.85Å; Y513-F517 AromaticContact CE1-CD2 3.74Å; Y513-F517 HydrophobicContact CE1-CD2 3.74Å; Y513-F517 AromaticContact CE1-CE1 3.98Å; Y513-F517 HydrophobicContact CE1-CE1 3.98Å; Y513-F517 AromaticContact CE1-CE2 3.09Å; Y513-F517 HydrophobicContact CE1-CE2 3.09Å; Y513-F517 HydrophobicContact CE1-CG 4.41Å; Y513-F517 AromaticContact CE1-CZ 3.23Å; Y513-F517 HydrophobicContact CE1-CZ 3.23Å; Y513-F517 AromaticContact CE2-CE2 3.53Å; Y513-F517 HydrophobicContact CE2-CE2 3.53Å; Y513-F517 AromaticContact CE2-CZ 3.96Å; Y513-F517 HydrophobicContact CE2-CZ 3.96Å; Y513-F517 HydrophobicContact CG-CD2 4.16Å; Y513-F517 AromaticContact CG-CE2 3.85Å; Y513-F517 HydrophobicContact CG-CE2 3.85Å; Y513-F517 AromaticContact CZ-CE2 3.14Å; Y513-F517 AromaticContact CZ-CZ 3.18Å; Y513-F517 WeakPolarHBondContact O-CD2 3.49Å; Y513-F517 PolarHBondContact O-N 3.09Å; Y513-F517 WeakPolarHBondContact OH-CZ 2.93Å
514	Q	65.5	Low	60.4	Low	92 Å²	92	57.2 Å²	57.2	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-54.3	-40.7	-179	-76.4	174.4	9.2	0	0	113.6	N510 F511 F517 I518	N510-Q514 WeakPolarHBondContact O-CB 3.33Å; N510-Q514 VanDerWaalsContact O-CG 3.26Å; N510-Q514 WeakPolarHBondContact O-CG 3.47Å; N510-Q514 PolarHBondContact O-N 3.43Å; F511-Q514 PolarHBondContact O-N 3.1Å; Q514-F517 CarbonylContact O-C 3.56Å; Q514-F517 WeakPolarHBondContact O-CA 3.27Å; Q514-F517 WeakPolarHBondContact O-CB 3.31Å; Q514-F517 PolarHBondContact O-N 3.37Å; Q514-F517 VanDerWaalsContact O-N 3.1Å; Q514-I518 WeakPolarHBondContact O-CG1 3.44Å; Q514-I518 PolarHBondContact O-N 2.84Å
515	T	66.2	Low	58.1	Low	13 Å²	13	58.8 Å²	58.8	8%	0.08	28%	0.282	C	S	.	.	H	α-helix	trans	-69.3	-35.9	-179.7	55.1	0	0	0	0	112.8	F511 I512 Y513 F517 I518 I643 A756	F511-T515 HydrophobicContact CD1-CG2 4.15Å; F511-T515 HydrophobicContact CD2-CG2 4.18Å; F511-T515 HydrophobicContact CE1-CG2 3.51Å; F511-T515 HydrophobicContact CE2-CG2 3.59Å; F511-T515 HydrophobicContact CG-CG2 4.45Å; F511-T515 HydrophobicContact CZ-CG2 3.22Å; F511-T515 WeakPolarHBondContact O-CG2 3.15Å; F511-T515 PolarHBondContact O-N 3.04Å; F511-T515 PolarHBondContact O-OG1 2.79Å; I512-T515 PolarHBondContact O-OG1 3.31Å; Y513-T515 VanDerWaalsContact C-N 3.3Å; Y513-T515 PolarHBondContact O-N 2.95Å; T515-F517 PolarHBondContact O-N 2.7Å; T515-I518 PolarHBondContact O-N 3.01Å; T515-I643 HydrophobicContact CG2-CD1 4.48Å; T515-A756 HydrophobicContact CG2-CB 3.87Å
516	K	63.3	Low	56	Low	93 Å²	93	58.4 Å²	58.4	40%	0.404	28%	0.282	S	S	.	.	H	α-helix	trans	-60.6	-33.6	169.3	-73.4	-179.6	177.6	-174.2	0	111.8	L238 I512 Y513	L238-K516 HydrophobicContact CD2-CD 4.39Å; I512-K516 WeakPolarHBondContact O-CG 3.38Å; I512-K516 PolarHBondContact O-N 2.91Å; Y513-K516 WeakPolarHBondContact O-CB 3.44Å; Y513-K516 PolarHBondContact O-N 3.35Å; Y513-K516 VanDerWaalsContact O-N 3.13Å
517	F	51.4	Low	53.9	Low	21 Å²	21	58.9 Å²	58.9	9%	0.092	28%	0.28	C	S	.	.	H	α-helix	trans	-83.3	-25.2	179.8	-81.9	-110.7	0	0	0	114.7	F163 D167 Y239 Y513 Q514 T515 N519 Y520 H521	F163-F517 HydrophobicContact CD1-CE1 4.28Å; F163-F517 AromaticContact CE1-CD1 3.6Å; F163-F517 HydrophobicContact CE1-CD1 3.6Å; F163-F517 AromaticContact CE1-CE1 3.09Å; F163-F517 HydrophobicContact CE1-CE1 3.09Å; F163-F517 AromaticContact CE1-CZ 3.68Å; F163-F517 HydrophobicContact CE1-CZ 3.68Å; F163-F517 HydrophobicContact CE2-CZ 4.36Å; F163-F517 AromaticContact CZ-CD1 4Å; F163-F517 HydrophobicContact CZ-CD1 4Å; F163-F517 AromaticContact CZ-CE1 3.26Å; F163-F517 HydrophobicContact CZ-CE1 3.26Å; F163-F517 HydrophobicContact CZ-CE2 4.03Å; F163-F517 AromaticContact CZ-CZ 3.28Å; F163-F517 HydrophobicContact CZ-CZ 3.28Å; D167-F517 HydrophobicContact CB-CE1 4.13Å; D167-F517 HydrophobicContact CB-CZ 4.41Å; D167-F517 WeakPolarHBondContact OD1-CZ 3.31Å; Y239-F517 WeakPolarHBondContact OH-CE2 3.16Å; Y239-F517 WeakPolarHBondContact OH-CZ 3.49Å; Y513-F517 AromaticContact CD1-CD2 3.73Å; Y513-F517 HydrophobicContact CD1-CD2 3.73Å; Y513-F517 AromaticContact CD1-CE2 3.48Å; Y513-F517 HydrophobicContact CD1-CE2 3.48Å; Y513-F517 VanDerWaalsContact CD1-CE2 3.48Å; Y513-F517 HydrophobicContact CD1-CZ 4.08Å; Y513-F517 AromaticContact CD2-CE2 3.85Å; Y513-F517 HydrophobicContact CD2-CE2 3.85Å; Y513-F517 AromaticContact CE1-CD2 3.74Å; Y513-F517 HydrophobicContact CE1-CD2 3.74Å; Y513-F517 AromaticContact CE1-CE1 3.98Å; Y513-F517 HydrophobicContact CE1-CE1 3.98Å; Y513-F517 AromaticContact CE1-CE2 3.09Å; Y513-F517 HydrophobicContact CE1-CE2 3.09Å; Y513-F517 HydrophobicContact CE1-CG 4.41Å; Y513-F517 AromaticContact CE1-CZ 3.23Å; Y513-F517 HydrophobicContact CE1-CZ 3.23Å; Y513-F517 AromaticContact CE2-CE2 3.53Å; Y513-F517 HydrophobicContact CE2-CE2 3.53Å; Y513-F517 AromaticContact CE2-CZ 3.96Å; Y513-F517 HydrophobicContact CE2-CZ 3.96Å; Y513-F517 HydrophobicContact CG-CD2 4.16Å; Y513-F517 AromaticContact CG-CE2 3.85Å; Y513-F517 HydrophobicContact CG-CE2 3.85Å; Y513-F517 AromaticContact CZ-CE2 3.14Å; Y513-F517 AromaticContact CZ-CZ 3.18Å; Y513-F517 WeakPolarHBondContact O-CD2 3.49Å; Y513-F517 PolarHBondContact O-N 3.09Å; Y513-F517 WeakPolarHBondContact OH-CZ 2.93Å; Q514-F517 CarbonylContact O-C 3.56Å; Q514-F517 WeakPolarHBondContact O-CA 3.27Å; Q514-F517 WeakPolarHBondContact O-CB 3.31Å; Q514-F517 PolarHBondContact O-N 3.37Å; Q514-F517 VanDerWaalsContact O-N 3.1Å; T515-F517 PolarHBondContact O-N 2.7Å; F517-N519 VanDerWaalsContact C-N 3.34Å; F517-Y520 WeakPolarHBondContact O-CA 3.46Å; F517-Y520 WeakPolarHBondContact O-CB 3.3Å; F517-Y520 PolarHBondContact O-N 3.24Å; F517-H521 PolarHBondContact O-N 2.82Å; F517-H521 VanDerWaalsContact O-N 3.13Å
518	I	51	Low	51.5	Low	21 Å²	21	65.7 Å²	65.7	11%	0.108	31%	0.308	C	S	.	.	H	α-helix	trans	-66.9	-41.7	175.3	-71.5	161.3	0	0	0	110	Q514 T515 Y520 H521 L560 D641 I643	Q514-I518 WeakPolarHBondContact O-CG1 3.44Å; Q514-I518 PolarHBondContact O-N 2.84Å; T515-I518 PolarHBondContact O-N 3.01Å; I518-Y520 PolarHBondContact O-N 2.87Å; I518-H521 PolarHBondContact O-N 2.83Å; I518-L560 HydrophobicContact CD1-CD1 3.17Å; I518-D641 HydrophobicContact CG2-CB 3.79Å; I518-D641 WeakPolarHBondContact CG2-OD2 3.23Å; I518-I643 HydrophobicContact CB-CD1 4.26Å; I518-I643 HydrophobicContact CD1-CD1 3.65Å; I518-I643 HydrophobicContact CG2-CD1 3.93Å
519	N	45	Very low	48.9	Very low	93 Å²	93	71.7 Å²	71.7	50%	0.497	34%	0.341	S	S	.	.	H	α-helix	trans	-60.4	-15	169	-68.5	-18.5	0	0	0	113.3	F517	F517-N519 VanDerWaalsContact C-N 3.34Å
520	Y	39.4	Very low	46.5	Very low	27 Å²	27	76.7 Å²	76.7	11%	0.106	36%	0.359	C	S	.	.	H	α-helix	trans	-92.7	-40.4	-176.8	-171.6	-85.5	0	0	0	113.4	F163 Q231 F517 I518	F163-Y520 HydrophobicContact CB-CE1 4.04Å; F163-Y520 HydrophobicContact CB-CE2 4.31Å; F163-Y520 VanDerWaalsContact CB-CZ 3.49Å; F163-Y520 WeakPolarHBondContact CB-OH 3.41Å; F163-Y520 AromaticContact CD1-CD1 3.7Å; F163-Y520 HydrophobicContact CD1-CD1 3.7Å; F163-Y520 HydrophobicContact CD1-CD2 4.34Å; F163-Y520 AromaticContact CD1-CE1 3.09Å; F163-Y520 HydrophobicContact CD1-CE1 3.09Å; F163-Y520 AromaticContact CD1-CE2 3.82Å; F163-Y520 HydrophobicContact CD1-CE2 3.82Å; F163-Y520 HydrophobicContact CD1-CG 4.31Å; F163-Y520 AromaticContact CD1-CZ 3.19Å; F163-Y520 HydrophobicContact CD2-CE2 4.26Å; F163-Y520 AromaticContact CE1-CD1 3.7Å; F163-Y520 HydrophobicContact CE1-CD1 3.7Å; F163-Y520 HydrophobicContact CE1-CD2 4.13Å; F163-Y520 AromaticContact CE1-CE1 3.6Å; F163-Y520 HydrophobicContact CE1-CE1 3.6Å; F163-Y520 HydrophobicContact CE1-CE2 4.03Å; F163-Y520 HydrophobicContact CE1-CG 4Å; F163-Y520 AromaticContact CE1-CZ 3.81Å; F163-Y520 AromaticContact CG-CE1 3.78Å; F163-Y520 HydrophobicContact CG-CE1 3.78Å; F163-Y520 AromaticContact CG-CE2 3.89Å; F163-Y520 HydrophobicContact CG-CE2 3.89Å; F163-Y520 AromaticContact CG-CZ 3.36Å; F163-Y520 WeakPolarHBondContact CG-OH 3.34Å; F163-Y520 HydrophobicContact CZ-CD2 4.44Å; F163-Y520 HydrophobicContact CZ-CE2 4.38Å; Q231-Y520 HydrophobicContact CB-CD2 4.26Å; Q231-Y520 HydrophobicContact CB-CE2 4.04Å; Q231-Y520 HydrophobicContact CG-CD2 4.39Å; Q231-Y520 HydrophobicContact CG-CE2 4.5Å; F517-Y520 WeakPolarHBondContact O-CA 3.46Å; F517-Y520 WeakPolarHBondContact O-CB 3.3Å; F517-Y520 PolarHBondContact O-N 3.24Å; I518-Y520 PolarHBondContact O-N 2.87Å
521	H	34.4	Very low	44.2	Very low	25 Å²	25	78.1 Å²	78.1	12%	0.116	37%	0.366	C	S	.	.	H	α-helix	trans	-103.3	-11.8	-166	-84.7	-59.8	0	0	0	117.9	E164 F517 I518 F523 H524	E164-H521 WeakPolarHBondContact CG-CE1 3.41Å; E164-H521 IonicContact OE1-CE1 3.19Å; E164-H521 PolarHBondContact OE1-CE1 3.41Å; E164-H521 IonicContact OE1-ND1 3.74Å; E164-H521 PolarHBondContact OE1-ND1 3.22Å; E164-H521 IonicContact OE1-NE2 3.83Å; F517-H521 PolarHBondContact O-N 2.82Å; F517-H521 VanDerWaalsContact O-N 3.13Å; I518-H521 PolarHBondContact O-N 2.83Å; H521-F523 PolarHBondContact O-N 3.25Å; H521-H524 WeakPolarHBondContact O-CB 3.32Å; H521-H524 PolarHBondContact O-N 3.07Å
522	N	38.2	Very low	41.5	Very low	51 Å²	51	83.5 Å²	83.5	27%	0.273	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-8.1	-178.3	-84.3	-29.9	0	0	0	114.5	H524 Y525 D641	N522-H524 VanDerWaalsContact C-N 3.28Å; N522-Y525 PolarHBondContact O-N 3.29Å; N522-D641 PolarHBondContact ND2-OD1 3.23Å; N522-D641 PolarHBondContact ND2-OD2 3Å
523	F	30.9	Very low	39	Very low	113 Å²	113	89.9 Å²	89.9	50%	0.496	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-32.2	163.7	-104.8	-84.5	0	0	0	111.9	H220 H521	H220-F523 PolarHBondContact CE1-O 2.85Å; H220-F523 WeakPolarHBondContact NE2-CB 3.31Å; H220-F523 AromaticContact NE2-CD1 3.63Å; H220-F523 PolarHBondContact NE2-O 2.84Å; H521-F523 PolarHBondContact O-N 3.25Å
524	H	31.5	Very low	37	Very low	81 Å²	81	93.9 Å²	93.9	38%	0.375	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-11	176.9	-95.8	-75.8	0	0	0	114.8	F217 H521 N522 L526	F217-H524 AromaticContact CD1-CE1 3.74Å; F217-H524 AromaticContact CD1-NE2 3.51Å; F217-H524 AromaticContact CE1-CE1 3.42Å; F217-H524 VanDerWaalsContact CE1-CE1 3.42Å; F217-H524 WeakPolarHBondContact CE1-CE1 3.12Å; F217-H524 AromaticContact CE1-NE2 3.35Å; F217-H524 WeakPolarHBondContact CE1-NE2 3.38Å; H521-H524 WeakPolarHBondContact O-CB 3.32Å; H521-H524 PolarHBondContact O-N 3.07Å; N522-H524 VanDerWaalsContact C-N 3.28Å; H524-L526 VanDerWaalsContact C-N 3.28Å; H524-L526 PolarHBondContact O-N 2.92Å
525	Y	31.9	Very low	35.1	Very low	102 Å²	102	99.4 Å²	99.4	40%	0.4	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	14.4	-175.3	-150.8	-94.3	0	0	0	114.2	N522 K527 T552	N522-Y525 PolarHBondContact O-N 3.29Å; Y525-K527 PolarHBondContact O-N 3.41Å; Y525-T552 VanDerWaalsContact CZ-OG1 3.22Å; Y525-T552 PolarHBondContact OH-OG1 3.47Å; Y525-T552 VanDerWaalsContact OH-OG1 3.04Å
526	L	29.6	Very low	33.1	Very low	94 Å²	94	103.8 Å²	103.8	49%	0.492	51%	0.507	S	S	.	.			trans	-70.2	55.5	159.8	-66.4	173.8	0	0	0	110.4	H524 Q528 I569	H524-L526 VanDerWaalsContact C-N 3.28Å; H524-L526 PolarHBondContact O-N 2.92Å; L526-Q528 PolarHBondContact O-N 2.96Å; L526-I569 HydrophobicContact CD1-CD1 3.62Å; L526-I569 HydrophobicContact CD2-CD1 3.45Å; L526-I569 VanDerWaalsContact CD2-CD1 3.45Å; L526-I569 HydrophobicContact CD2-CG1 4.09Å; L526-I569 HydrophobicContact CG-CD1 4.19Å
527	K	27.8	Very low	31.1	Very low	122 Å²	122	106.6 Å²	106.6	53%	0.53	53%	0.527	S	S	.	.			trans	-70.4	126.3	172.4	-148.7	178.3	-171.1	-178.5	0	106.5	Y525 N529 N555	Y525-K527 PolarHBondContact O-N 3.41Å; K527-N529 PolarHBondContact O-N 3.39Å; K527-N555 PolarHBondContact NZ-OD1 3.24Å
528	Q	24.9	Very low	29.7	Very low	178 Å²	178	113.3 Å²	113.3	83%	0.832	56%	0.563	S	S	*	*			trans	-48.7	86.8	167.5	-73.2	172.9	-18.4	0	0	110.6	L526 K530	L526-Q528 PolarHBondContact O-N 2.96Å; Q528-K530 PolarHBondContact O-N 3.26Å; Q528-K530 VanDerWaalsContact O-N 3.09Å
529	N	24	Very low	28.3	Very low	136 Å²	136	119.4 Å²	119.4	73%	0.727	59%	0.594	S	S	*	*			trans	-76.9	90.3	150.7	-80.7	-17.5	0	0	0	104.7	K527 I531	K527-N529 PolarHBondContact O-N 3.39Å; N529-I531 HydrophobicContact CB-CG1 3.97Å; N529-I531 PolarHBondContact O-N 3.1Å
530	K	22.8	Very low	27.2	Very low	198 Å²	198	119.1 Å²	119.1	86%	0.861	60%	0.6	S	S	*	*			trans	-63.2	81.1	158.5	-145.7	179.5	-170.9	-177.6	0	104.9	Q528 T532	Q528-K530 PolarHBondContact O-N 3.26Å; Q528-K530 VanDerWaalsContact O-N 3.09Å; K530-T532 VanDerWaalsContact C-N 3.33Å; K530-T532 PolarHBondContact O-N 2.81Å
531	I	26.6	Very low	26.4	Very low	108 Å²	108	125.5 Å²	125.5	55%	0.554	63%	0.634	S	S	*	*			trans	-67.4	101.5	176.6	-63.9	177.4	0	0	0	104.7	N529 N533	N529-I531 HydrophobicContact CB-CG1 3.97Å; N529-I531 PolarHBondContact O-N 3.1Å; I531-N533 PolarHBondContact O-N 3.11Å
532	T	23.8	Very low	25.9	Very low	116 Å²	116	134 Å²	134	71%	0.712	67%	0.667	S	S	*	*			trans	-47.5	123	163.4	37.2	0	0	0	0	108	K530 L534	K530-T532 VanDerWaalsContact C-N 3.33Å; K530-T532 PolarHBondContact O-N 2.81Å; T532-L534 VanDerWaalsContact C-N 3.26Å; T532-L534 PolarHBondContact O-N 2.81Å
533	N	25.4	Very low	25.4	Very low	149 Å²	149	139 Å²	139	80%	0.797	69%	0.689	S	S	*	*	S	Bend	trans	-51.8	75.8	-179.1	-78.4	-21.7	0	0	0	113.4	I531	I531-N533 PolarHBondContact O-N 3.11Å
534	L	24.1	Very low	25.1	Very low	138 Å²	138	145 Å²	145	72%	0.723	71%	0.708	S	S	*	*			trans	-132	18.4	177.9	-125.2	132.6	0	0	0	114.5	T532	T532-L534 VanDerWaalsContact C-N 3.26Å; T532-L534 PolarHBondContact O-N 2.81Å
535	F	25.2	Very low	25	Very low	208 Å²	208	147.9 Å²	147.9	91%	0.912	73%	0.726	S	S	*	*			trans	-133.9	34.2	169.9	-81.7	-79.7	0	0	0	113.1
536	T	23.7	Very low	25.1	Very low	106 Å²	106	148.1 Å²	148.1	65%	0.65	73%	0.734	S	S	*	*			trans	-80.6	121.6	155.2	39.7	0	0	0	0	108.1
537	N	21.8	Very low	25.6	Very low	152 Å²	152	151 Å²	151	81%	0.813	74%	0.743	S	S	*	*			trans	104.4	84.5	171.2	-52.2	-23.6	0	0	0	115.6
538	L	22.2	Very low	26.2	Very low	161 Å²	161	146.6 Å²	146.6	84%	0.843	73%	0.725	S	S	*	*			trans	-168.3	97.1	139.9	-103.7	141.4	0	0	0	111
539	I	22.2	Very low	27.1	Very low	149 Å²	149	142.9 Å²	142.9	76%	0.764	71%	0.707	S	S	*	*				51.9	132.9	127.3	-58.8	170.2	0	0	0	119.3
540	S	20.5	Very low	28.2	Very low	88 Å²	88	137.8 Å²	137.8	62%	0.615	68%	0.678	S	S	*	*			trans	-34.7	154.8	171.3	66.3	0	0	0	0	118.6
541	L	22.2	Very low	29.2	Very low	160 Å²	160	128.7 Å²	128.7	84%	0.838	64%	0.639	S	S	*	*			trans	121.2	132.6	143	-69	154.7	0	0	0	115.1
542	Y	24.7	Very low	29.7	Very low	204 Å²	204	126 Å²	126	80%	0.8	63%	0.627	S	S	*	*	S	Bend	trans	-17	140.6	159.4	-115.7	-110.7	0	0	0	115
543	H	26.9	Very low	30.4	Very low	157 Å²	157	125.4 Å²	125.4	73%	0.727	61%	0.613	S	S	*	*			trans	71.3	89.2	176.8	-65.2	-72.7	0	0	0	116.9
544	R	24.9	Very low	30.8	Very low	237 Å²	237	124.1 Å²	124.1	89%	0.894	61%	0.606	S	S	*	*			trans	-151.8	108.5	141.7	-107.7	-179.6	-140.3	-157.7	5.4	109.7	D546	R544-D546 PolarHBondContact O-N 3.37Å
545	N	29.5	Very low	31.5	Very low	143 Å²	143	123 Å²	123	77%	0.765	60%	0.601	S	S	*	*			trans	6.6	97.9	155.8	-58.6	-12	0	0	0	113.4	K547	N545-K547 PolarHBondContact O-N 2.8Å
546	D	34.7	Very low	31.9	Very low	106 Å²	106	120.8 Å²	120.8	57%	0.567	59%	0.591	S	S	*	*			trans	-47.5	117	155.2	-75.7	-34.9	0	0	0	105.6	R544 I548	R544-D546 PolarHBondContact O-N 3.37Å; D546-I548 PolarHBondContact O-N 2.85Å
547	K	39.3	Very low	33.2	Very low	155 Å²	155	119.4 Å²	119.4	67%	0.674	58%	0.58	S	S	*	*			trans	-57.5	108.1	-179.6	-73.9	176.8	180	174.3	0	106	N545 E549	N545-K547 PolarHBondContact O-N 2.8Å; K547-E549 VanDerWaalsContact C-N 3.32Å; K547-E549 HydrophobicContact CB-CG 4.38Å; K547-E549 PolarHBondContact O-N 3.43Å
548	I	41.5	Very low	34.7	Very low	29 Å²	29	113.8 Å²	113.8	15%	0.149	55%	0.551	C	S	.	*			trans	-68.2	101.8	171.1	-59.6	173.3	0	0	0	105.7	I492 D546 L561 F778	I492-I548 HydrophobicContact CD1-CB 4Å; I492-I548 HydrophobicContact CD1-CD1 3.94Å; I492-I548 HydrophobicContact CD1-CG2 4.32Å; D546-I548 PolarHBondContact O-N 2.85Å; I548-L561 HydrophobicContact CG2-CD1 3.23Å; I548-L561 HydrophobicContact CG2-CG 4.23Å; I548-F778 HydrophobicContact CD1-CE1 3.4Å; I548-F778 HydrophobicContact CD1-CE2 4.41Å; I548-F778 HydrophobicContact CD1-CZ 3.32Å
549	E	43.9	Very low	36.6	Very low	101 Å²	101	107.4 Å²	107.4	47%	0.472	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-84.7	132.6	179.5	-70.9	-168.9	168.6	0	0	109.6	K547 Y566	K547-E549 VanDerWaalsContact C-N 3.32Å; K547-E549 HydrophobicContact CB-CG 4.38Å; K547-E549 PolarHBondContact O-N 3.43Å; E549-Y566 HydrophobicContact CB-CE2 4.32Å
550	Y	46.2	Very low	39.1	Very low	29 Å²	29	100.3 Å²	100.3	11%	0.114	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	136.6	162	-65.9	-85.6	0	0	0	109	T491 I492 Y495 T552 N557 G559 L560	T491-Y550 WeakPolarHBondContact CB-OH 3.45Å; T491-Y550 PolarHBondContact O-OH 3.24Å; T491-Y550 WeakPolarHBondContact OG1-CE2 3.47Å; T491-Y550 PolarHBondContact OG1-OH 3.16Å; I492-Y550 PolarHBondContact N-OH 3.02Å; Y495-Y550 HydrophobicContact CD2-CE1 4.27Å; Y550-T552 PolarHBondContact O-N 2.04Å; Y550-N557 WeakPolarHBondContact CB-OD1 3.27Å; Y550-G559 VanDerWaalsContact CD1-C 3.41Å; Y550-G559 WeakPolarHBondContact CD1-O 3.27Å; Y550-L560 WeakPolarHBondContact CA-O 3.49Å
551	T	43.3	Very low	42	Very low	6 Å²	6	96.1 Å²	96.1	4%	0.037	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	142.4	176.6	59.2	0	0	0	0	110.2	T558 L560 N562	T551-T558 WeakPolarHBondContact O-CG2 3.44Å; T551-T558 PolarHBondContact O-N 2.78Å; T551-T558 PolarHBondContact O-OG1 2.82Å; T551-T558 PolarHBondContact OG1-OG1 2.79Å; T551-L560 PolarHBondContact N-O 3.05Å; T551-N562 HydrophobicContact CG2-CB 3.51Å
552	T	38.3	Very low	44.8	Very low	51 Å²	51	88.6 Å²	88.6	31%	0.313	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133.7	174.4	63.5	0	0	0	0	109.7	Y525 Y550 K556	Y525-T552 VanDerWaalsContact CZ-OG1 3.22Å; Y525-T552 PolarHBondContact OH-OG1 3.47Å; Y525-T552 VanDerWaalsContact OH-OG1 3.04Å; Y550-T552 PolarHBondContact O-N 2.04Å; T552-K556 CarbonylContact C-O 3.55Å; T552-K556 VanDerWaalsContact CA-O 3.25Å; T552-K556 WeakPolarHBondContact CA-O 3.27Å
553	Y	38.1	Very low	47.6	Very low	105 Å²	105	79.3 Å²	79.3	41%	0.412	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.7	171.4	179.6	-102.1	0	0	0	108	N555 K556	Y553-N555 PolarHBondContact O-N 2.64Å; Y553-K556 PolarHBondContact N-O 2.91Å; Y553-K556 WeakPolarHBondContact O-CB 3.37Å; Y553-K556 PolarHBondContact O-N 3.21Å
554	N	33.7	Very low	50.2	Low	122 Å²	122	73.9 Å²	73.9	65%	0.652	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	48.7	-178.2	-77.5	-38.2	0	0	0	114.1	K556	N554-K556 PolarHBondContact O-N 3.42Å; N554-K556 VanDerWaalsContact O-N 3.09Å
555	N	38.2	Very low	52.8	Low	113 Å²	113	63.6 Å²	63.6	60%	0.604	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	10.1	-174.8	-68.7	1.8	0	0	0	115	K527 Y553	K527-N555 PolarHBondContact NZ-OD1 3.24Å; Y553-N555 PolarHBondContact O-N 2.64Å
556	K	34.8	Very low	55	Low	162 Å²	162	61 Å²	61	70%	0.704	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.4	171	-64.6	-173.8	177	-173.2	0	109.4	T552 Y553 N554 T558	T552-K556 CarbonylContact C-O 3.55Å; T552-K556 VanDerWaalsContact CA-O 3.25Å; T552-K556 WeakPolarHBondContact CA-O 3.27Å; Y553-K556 PolarHBondContact N-O 2.91Å; Y553-K556 WeakPolarHBondContact O-CB 3.37Å; Y553-K556 PolarHBondContact O-N 3.21Å; N554-K556 PolarHBondContact O-N 3.42Å; N554-K556 VanDerWaalsContact O-N 3.09Å; K556-T558 PolarHBondContact O-N 2.96Å
557	N	49.2	Very low	56.9	Low	78 Å²	78	58.7 Å²	58.7	42%	0.417	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	119.8	168.2	-177.4	-13.8	0	0	0	108.3	Y550 G559	Y550-N557 WeakPolarHBondContact CB-OD1 3.27Å; N557-G559 PolarHBondContact O-N 3.36Å; N557-G559 WeakPolarHBondContact OD1-CA 3.32Å; N557-G559 PolarHBondContact OD1-N 2.78Å
558	T	53.7	Low	58.5	Low	34 Å²	34	56.2 Å²	56.2	21%	0.209	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-12.9	177.9	65.8	0	0	0	0	112.2	T551 K556 L560	T551-T558 WeakPolarHBondContact O-CG2 3.44Å; T551-T558 PolarHBondContact O-N 2.78Å; T551-T558 PolarHBondContact O-OG1 2.82Å; T551-T558 PolarHBondContact OG1-OG1 2.79Å; K556-T558 PolarHBondContact O-N 2.96Å; T558-L560 VanDerWaalsContact C-N 3.25Å; T558-L560 PolarHBondContact O-N 3.16Å; T558-L560 WeakPolarHBondContact OG1-CB 3.43Å; T558-L560 PolarHBondContact OG1-N 3.16Å; T558-L560 VanDerWaalsContact OG1-N 3.09Å
559	G	63.6	Low	59.8	Low	26 Å²	26	56 Å²	56	27%	0.268	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	74.9	7.6	-171.7	0	0	0	0	0	113.6	Y495 Y550 N557	Y495-G559 WeakPolarHBondContact CE2-O 3.4Å; Y550-G559 VanDerWaalsContact CD1-C 3.41Å; Y550-G559 WeakPolarHBondContact CD1-O 3.27Å; N557-G559 PolarHBondContact O-N 3.36Å; N557-G559 WeakPolarHBondContact OD1-CA 3.32Å; N557-G559 PolarHBondContact OD1-N 2.78Å
560	L	73.1	Confident	61	Low	0 Å²	0	56 Å²	56	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	129.6	-177	-60.1	171.4	0	0	0	113	K497 F511 I518 Y550 T551 T558 N562 I643	K497-L560 HydrophobicContact CD-CD2 3.65Å; K497-L560 HydrophobicContact CG-CD2 3.59Å; F511-L560 HydrophobicContact CE2-CD2 3.72Å; I518-L560 HydrophobicContact CD1-CD1 3.17Å; Y550-L560 WeakPolarHBondContact CA-O 3.49Å; T551-L560 PolarHBondContact N-O 3.05Å; T558-L560 VanDerWaalsContact C-N 3.25Å; T558-L560 PolarHBondContact O-N 3.16Å; T558-L560 WeakPolarHBondContact OG1-CB 3.43Å; T558-L560 PolarHBondContact OG1-N 3.16Å; T558-L560 VanDerWaalsContact OG1-N 3.09Å; L560-N562 PolarHBondContact O-N 3.16Å; L560-I643 HydrophobicContact CB-CG2 4.04Å; L560-I643 HydrophobicContact CD1-CD1 4.32Å; L560-I643 HydrophobicContact CD2-CG2 4.35Å
561	L	81.3	Confident	62.1	Low	0 Å²	0	62 Å²	62	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	107.6	177.7	-170.1	71.9	0	0	0	110.9	I492 Y495 I548 M563 I643 A644 L647	I492-L561 HydrophobicContact CG1-CD1 4.4Å; Y495-L561 HydrophobicContact CD1-CB 4.12Å; Y495-L561 HydrophobicContact CD1-CD2 4.04Å; Y495-L561 HydrophobicContact CE1-CB 3.56Å; Y495-L561 HydrophobicContact CE1-CD2 4.08Å; Y495-L561 HydrophobicContact CE1-CG 4.45Å; Y495-L561 HydrophobicContact CE2-CB 4.06Å; Y495-L561 PolarHBondContact OH-N 3.46Å; I548-L561 HydrophobicContact CG2-CD1 3.23Å; I548-L561 HydrophobicContact CG2-CG 4.23Å; L561-M563 HydrophobicContact CD2-SD 4.5Å; L561-M563 HydrophobicContact CG-SD 4.44Å; L561-I643 CarbonylContact O-C 3.5Å; L561-I643 VanDerWaalsContact O-CA 3.29Å; L561-I643 WeakPolarHBondContact O-CA 3.03Å; L561-A644 HydrophobicContact CD2-CB 4.12Å; L561-A644 PolarHBondContact O-N 3.46Å; L561-L647 HydrophobicContact CD2-CD1 3.57Å; L561-L647 HydrophobicContact CD2-CD2 3.85Å; L561-L647 HydrophobicContact CD2-CG 3.77Å
562	N	82.5	Confident	63.1	Low	3 Å²	3	64.5 Å²	64.5	2%	0.016	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123.4	-179	-170.5	4.5	0	0	0	111.5	T551 L560 K564 D641 L642	T551-N562 HydrophobicContact CG2-CB 3.51Å; L560-N562 PolarHBondContact O-N 3.16Å; N562-K564 PolarHBondContact O-N 3.2Å; N562-K564 VanDerWaalsContact OD1-CB 3.27Å; N562-K564 WeakPolarHBondContact OD1-CB 3.32Å; N562-K564 PolarHBondContact OD1-N 2.74Å; N562-K564 VanDerWaalsContact OD1-N 3.14Å; N562-D641 PolarHBondContact ND2-OD1 2.93Å; N562-L642 PolarHBondContact OD1-N 3.07Å; N562-L642 PolarHBondContact OD1-O 3.4Å
563	M	83.5	Confident	64.3	Low	8 Å²	8	66.7 Å²	66.7	4%	0.039	32%	0.319	C	S	.	.			trans	-87.9	24.2	178.7	-52.4	-62.2	-102.8	0	0	111.4	L561 L642 A644 L770 R773 W774 F778	L561-M563 HydrophobicContact CD2-SD 4.5Å; L561-M563 HydrophobicContact CG-SD 4.44Å; M563-L642 HydrophobicContact CB-CB 4.38Å; M563-L642 WeakPolarHBondContact CB-O 3.38Å; M563-L642 PolarHBondContact N-O 3.34Å; M563-A644 HydrophobicContact CG-CB 4.49Å; M563-L770 HydrophobicContact CB-CD1 4.47Å; M563-L770 HydrophobicContact CG-CD1 3.94Å; M563-R773 HydrophobicContact CB-CB 4.11Å; M563-R773 WeakPolarHBondContact O-CD 2.97Å; M563-R773 PolarHBondContact O-NH1 2.71Å; M563-W774 HydrophobicContact CE-CB 3.74Å; M563-W774 HydrophobicContact CE-CG 4.48Å; M563-F778 HydrophobicContact CE-CD2 4.11Å; M563-F778 HydrophobicContact CE-CE2 3.48Å; M563-F778 VanDerWaalsContact CE-CE2 3.48Å; M563-F778 HydrophobicContact CE-CZ 4.39Å; M563-F778 HydrophobicContact SD-CE2 4.41Å
564	K	80.6	Confident	65.8	Low	44 Å²	44	69.9 Å²	69.9	19%	0.191	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-72	146.1	178.6	179.6	164.6	175.2	156.3	0	111.3	N562 Y566 N639 D641	N562-K564 PolarHBondContact O-N 3.2Å; N562-K564 VanDerWaalsContact OD1-CB 3.27Å; N562-K564 WeakPolarHBondContact OD1-CB 3.32Å; N562-K564 PolarHBondContact OD1-N 2.74Å; N562-K564 VanDerWaalsContact OD1-N 3.14Å; K564-Y566 HydrophobicContact CB-CE2 4.42Å; K564-Y566 WeakPolarHBondContact O-CD2 2.89Å; K564-Y566 WeakPolarHBondContact O-CE2 3.44Å; K564-Y566 PolarHBondContact O-N 3.24Å; K564-N639 WeakPolarHBondContact CD-O 3.45Å; K564-N639 WeakPolarHBondContact CE-O 3.32Å; K564-N639 WeakPolarHBondContact CG-ND2 3.3Å; K564-N639 PolarHBondContact NZ-O 3.22Å; K564-D641 WeakPolarHBondContact CD-OD1 3.39Å; K564-D641 IonicContact NZ-OD1 2.82Å; K564-D641 PolarHBondContact NZ-OD1 2.71Å
565	L	79.1	Confident	67.5	Low	20 Å²	20	67.6 Å²	67.6	11%	0.105	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-76.7	117.5	170.5	-179.4	68.1	0	0	0	109.4	I626 N639 F869 P872 F873	L565-I626 HydrophobicContact CD1-CD1 4.33Å; L565-I626 HydrophobicContact CD1-CG2 4.4Å; L565-I626 HydrophobicContact CD2-CD1 3.7Å; L565-I626 HydrophobicContact CD2-CG1 4.33Å; L565-I626 HydrophobicContact CG-CD1 4.45Å; L565-N639 PolarHBondContact N-OD1 2.85Å; L565-N639 PolarHBondContact O-ND2 3.22Å; L565-F869 HydrophobicContact CD1-CD1 3.93Å; L565-F869 HydrophobicContact CD1-CE1 3.59Å; L565-F869 HydrophobicContact CD2-CD1 4.42Å; L565-P872 HydrophobicContact CB-CG 4.28Å; L565-P872 HydrophobicContact CD2-CB 4.14Å; L565-P872 HydrophobicContact CD2-CG 3.8Å; L565-F873 HydrophobicContact CD2-CE2 3.93Å; L565-F873 HydrophobicContact CD2-CZ 4.41Å
566	Y	76.7	Confident	69.2	Low	89 Å²	89	64.3 Å²	64.3	35%	0.349	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-90.5	139.9	177	-66.2	-90.8	0	0	0	110.9	E549 K564 I626	E549-Y566 HydrophobicContact CB-CE2 4.32Å; K564-Y566 HydrophobicContact CB-CE2 4.42Å; K564-Y566 WeakPolarHBondContact O-CD2 2.89Å; K564-Y566 WeakPolarHBondContact O-CE2 3.44Å; K564-Y566 PolarHBondContact O-N 3.24Å; Y566-I626 WeakPolarHBondContact O-CG2 3.49Å
567	Y	74.2	Confident	71.3	Confident	58 Å²	58	61.3 Å²	61.3	23%	0.227	29%	0.291	C	S	.	.			trans	-152	153.5	178.7	56.3	-89.5	0	0	0	109.9	I569 L630 I635 P636	Y567-I569 HydrophobicContact CE2-CG1 4.48Å; Y567-L630 HydrophobicContact CD1-CD1 4.24Å; Y567-L630 HydrophobicContact CD2-CB 4.37Å; Y567-L630 HydrophobicContact CD2-CD1 3.7Å; Y567-L630 HydrophobicContact CD2-CG 4.3Å; Y567-L630 HydrophobicContact CE2-CD1 4.33Å; Y567-L630 HydrophobicContact CG-CD1 3.66Å; Y567-L630 HydrophobicContact CG-CG 4.42Å; Y567-I635 WeakPolarHBondContact OH-CG2 3.24Å; Y567-P636 HydrophobicContact CD1-CG 3.95Å; Y567-P636 HydrophobicContact CE1-CB 4.47Å; Y567-P636 HydrophobicContact CE1-CG 3.51Å; Y567-P636 VanDerWaalsContact CZ-CD 3.41Å
568	N	72.5	Confident	72.9	Confident	103 Å²	103	64.5 Å²	64.5	55%	0.551	30%	0.298	S	S	*	.			trans	-93.3	157	171.1	-70	-39.7	0	0	0	110.5	G629 L630	N568-G629 CarbonylContact O-C 3.45Å; N568-G629 VanDerWaalsContact O-CA 3.27Å; N568-G629 WeakPolarHBondContact O-CA 3.49Å; N568-L630 PolarHBondContact O-N 3.5Å
569	I	69.7	Low	74.5	Confident	25 Å²	25	63.3 Å²	63.3	13%	0.128	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124.6	171.4	-59.9	-179	0	0	0	109.1	L526 Y567 Y571 L630 L632 I635	L526-I569 HydrophobicContact CD1-CD1 3.62Å; L526-I569 HydrophobicContact CD2-CD1 3.45Å; L526-I569 VanDerWaalsContact CD2-CD1 3.45Å; L526-I569 HydrophobicContact CD2-CG1 4.09Å; L526-I569 HydrophobicContact CG-CD1 4.19Å; Y567-I569 HydrophobicContact CE2-CG1 4.48Å; I569-Y571 HydrophobicContact CG2-CE1 4.49Å; I569-L630 CarbonylContact C-O 3.01Å; I569-L630 VanDerWaalsContact CA-O 3.29Å; I569-L630 WeakPolarHBondContact CA-O 3.25Å; I569-L632 HydrophobicContact CD1-CD2 4.09Å; I569-L632 HydrophobicContact CG2-CD2 3.66Å; I569-L632 HydrophobicContact CG2-CG 3.85Å; I569-I635 HydrophobicContact CD1-CD1 4.08Å
570	R	68.5	Low	75.7	Confident	99 Å²	99	63.9 Å²	63.9	37%	0.374	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	113.6	168.5	-174.5	176.2	173.8	176	-3.9	108	D572 L630	R570-D572 HydrophobicContact CG-CB 3.89Å; R570-D572 IonicContact CZ-OD2 2.7Å; R570-D572 IonicContact NE-OD2 2.69Å; R570-D572 PolarHBondContact NE-OD2 3.31Å; R570-D572 IonicContact NH2-OD2 2.88Å; R570-D572 PolarHBondContact NH2-OD2 3.17Å; R570-D572 PolarHBondContact O-N 2.8Å; R570-L630 PolarHBondContact N-O 2.75Å
571	Y	69.1	Low	76.3	Confident	157 Å²	157	64.2 Å²	64.2	62%	0.616	29%	0.289	S	S	*	.			trans	-74.4	-2.7	179.9	-68.7	-82.2	0	0	0	114.1	I569 N573 L632	I569-Y571 HydrophobicContact CG2-CE1 4.49Å; Y571-N573 PolarHBondContact O-N 3.13Å; Y571-L632 HydrophobicContact CD1-CD1 4.34Å
572	D	65.3	Low	76.1	Confident	58 Å²	58	68.2 Å²	68.2	31%	0.31	31%	0.31	S	S	.	.			trans	-80.9	108.3	176.4	179.1	8.9	0	0	0	110.1	R570 H574	R570-D572 HydrophobicContact CG-CB 3.89Å; R570-D572 IonicContact CZ-OD2 2.7Å; R570-D572 IonicContact NE-OD2 2.69Å; R570-D572 PolarHBondContact NE-OD2 3.31Å; R570-D572 IonicContact NH2-OD2 2.88Å; R570-D572 PolarHBondContact NH2-OD2 3.17Å; R570-D572 PolarHBondContact O-N 2.8Å; D572-H574 VanDerWaalsContact C-N 3.26Å; D572-H574 PolarHBondContact O-N 2.87Å; D572-H574 IonicContact OD1-CE1 3.39Å; D572-H574 IonicContact OD1-CG 2.78Å; D572-H574 PolarHBondContact OD1-N 3.42Å; D572-H574 IonicContact OD1-ND1 3.76Å; D572-H574 PolarHBondContact OD1-ND1 2.91Å
573	N	63.4	Low	75.5	Confident	97 Å²	97	68.4 Å²	68.4	52%	0.519	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	1.9	-171.7	-75.9	-24.3	0	0	0	114.8	Y571	Y571-N573 PolarHBondContact O-N 3.13Å
574	H	69.8	Low	74.5	Confident	172 Å²	172	70.8 Å²	70.8	80%	0.796	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-22.5	-172.1	-65.5	92.6	0	0	0	114.5	D572	D572-H574 VanDerWaalsContact C-N 3.26Å; D572-H574 PolarHBondContact O-N 2.87Å; D572-H574 IonicContact OD1-CE1 3.39Å; D572-H574 IonicContact OD1-CG 2.78Å; D572-H574 PolarHBondContact OD1-N 3.42Å; D572-H574 IonicContact OD1-ND1 3.76Å; D572-H574 PolarHBondContact OD1-ND1 2.91Å
575	I	68.6	Low	73.4	Confident	73 Å²	73	74.2 Å²	74.2	37%	0.374	35%	0.346	S	S	.	.			trans	-120.3	115.4	-175.9	-54.2	177.6	0	0	0	110.4	Y577	I575-Y577 HydrophobicContact CG2-CD2 4.25Å; I575-Y577 HydrophobicContact CG2-CE1 4.26Å; I575-Y577 HydrophobicContact CG2-CE2 3.56Å
576	I	75	Confident	72.3	Confident	45 Å²	45	82.6 Å²	82.6	23%	0.231	38%	0.381	C	S	.	.			trans	-129.3	125.3	-179.1	-59.4	165.8	0	0	0	107.9	Y578 K633 E634	I576-Y578 HydrophobicContact CB-CE2 4.21Å; I576-Y578 HydrophobicContact CG2-CD1 3.98Å; I576-Y578 HydrophobicContact CG2-CD2 3.78Å; I576-Y578 HydrophobicContact CG2-CE1 3.82Å; I576-Y578 HydrophobicContact CG2-CE2 3.6Å; I576-Y578 HydrophobicContact CG2-CG 3.97Å; I576-K633 HydrophobicContact CD1-CD 3.78Å; I576-E634 WeakPolarHBondContact CG2-OE1 3.28Å
577	Y	77.3	Confident	71.5	Confident	98 Å²	98	80.7 Å²	80.7	38%	0.384	38%	0.378	S	S	.	.			trans	-101.4	-15.5	-174.4	-69.2	-76.1	0	0	0	113.8	I575 F579 K621 A625 E634	I575-Y577 HydrophobicContact CG2-CD2 4.25Å; I575-Y577 HydrophobicContact CG2-CE1 4.26Å; I575-Y577 HydrophobicContact CG2-CE2 3.56Å; Y577-F579 VanDerWaalsContact CB-CE2 3.4Å; Y577-F579 HydrophobicContact CD1-CZ 4.2Å; Y577-F579 AromaticContact CD2-CE2 3.81Å; Y577-F579 HydrophobicContact CD2-CE2 3.81Å; Y577-F579 AromaticContact CD2-CZ 3.9Å; Y577-F579 HydrophobicContact CD2-CZ 3.9Å; Y577-F579 HydrophobicContact CG-CE1 4.3Å; Y577-F579 AromaticContact CG-CE2 3.81Å; Y577-F579 HydrophobicContact CG-CE2 3.81Å; Y577-F579 AromaticContact CG-CZ 3.53Å; Y577-F579 HydrophobicContact CG-CZ 3.53Å; Y577-K621 HydrophobicContact CD1-CD 4.49Å; Y577-A625 HydrophobicContact CD2-CB 4.03Å; Y577-A625 HydrophobicContact CE2-CB 3.98Å; Y577-E634 PolarHBondContact N-OE1 3.37Å; Y577-E634 VanDerWaalsContact N-OE1 3.13Å
578	Y	82.5	Confident	70.6	Confident	146 Å²	146	86.9 Å²	86.9	57%	0.573	41%	0.405	S	S	*	.			trans	51.3	62.4	-175	-61.6	-83.6	0	0	0	112.6	I576 K615 E634	I576-Y578 HydrophobicContact CB-CE2 4.21Å; I576-Y578 HydrophobicContact CG2-CD1 3.98Å; I576-Y578 HydrophobicContact CG2-CD2 3.78Å; I576-Y578 HydrophobicContact CG2-CE1 3.82Å; I576-Y578 HydrophobicContact CG2-CE2 3.6Å; I576-Y578 HydrophobicContact CG2-CG 3.97Å; Y578-K615 PolarHBondContact O-NZ 2.8Å; Y578-E634 WeakPolarHBondContact CA-OE1 3.04Å; Y578-E634 WeakPolarHBondContact CA-OE2 3.45Å; Y578-E634 PolarHBondContact N-OE1 2.85Å; Y578-E634 PolarHBondContact N-OE2 3.33Å
579	F	88.2	Confident	70.3	Confident	9 Å²	9	83.1 Å²	83.1	4%	0.039	39%	0.388	C	S	.	.			trans	-79.5	-33	177.2	-63.6	-52	0	0	0	113.3	Y577 F617 K621 A622 A625 L630 E634 F873 R890	Y577-F579 VanDerWaalsContact CB-CE2 3.4Å; Y577-F579 HydrophobicContact CD1-CZ 4.2Å; Y577-F579 AromaticContact CD2-CE2 3.81Å; Y577-F579 HydrophobicContact CD2-CE2 3.81Å; Y577-F579 AromaticContact CD2-CZ 3.9Å; Y577-F579 HydrophobicContact CD2-CZ 3.9Å; Y577-F579 HydrophobicContact CG-CE1 4.3Å; Y577-F579 AromaticContact CG-CE2 3.81Å; Y577-F579 HydrophobicContact CG-CE2 3.81Å; Y577-F579 AromaticContact CG-CZ 3.53Å; Y577-F579 HydrophobicContact CG-CZ 3.53Å; F579-F617 HydrophobicContact CB-CD2 4.43Å; F579-F617 HydrophobicContact CB-CE2 4.02Å; F579-F617 HydrophobicContact CD1-CD2 4.5Å; F579-F617 HydrophobicContact CD1-CE2 4.24Å; F579-F617 HydrophobicContact CG-CE2 4.35Å; F579-K621 HydrophobicContact CE1-CB 4.03Å; F579-K621 HydrophobicContact CZ-CB 4.06Å; F579-A622 HydrophobicContact CD1-CB 4.22Å; F579-A622 HydrophobicContact CE1-CB 3.95Å; F579-A622 HydrophobicContact CE2-CB 4.39Å; F579-A622 VanDerWaalsContact CZ-CA 3.45Å; F579-A622 HydrophobicContact CZ-CB 4.05Å; F579-A625 HydrophobicContact CE2-CB 3.63Å; F579-A625 HydrophobicContact CZ-CB 4.04Å; F579-L630 HydrophobicContact CE2-CD2 4.34Å; F579-E634 WeakPolarHBondContact CB-OE2 3.47Å; F579-E634 HydrophobicContact CD2-CG 4.48Å; F579-E634 WeakPolarHBondContact CD2-OE2 3.34Å; F579-E634 PolarHBondContact N-OE2 3.24Å; F579-F873 HydrophobicContact CB-CB 4.28Å; F579-F873 HydrophobicContact CB-CD1 3.55Å; F579-F873 HydrophobicContact CB-CE1 4.04Å; F579-F873 HydrophobicContact CB-CG 4.05Å; F579-F873 HydrophobicContact CD2-CE1 4.21Å; F579-F873 HydrophobicContact CG-CD1 4.43Å; F579-F873 HydrophobicContact CG-CE1 4.49Å; F579-R890 PolarHBondContact O-NH2 2.67Å
580	N	88.5	Confident	70.4	Confident	38 Å²	38	87.5 Å²	87.5	20%	0.203	40%	0.403	C	S	.	.			trans	-67.8	135.8	-178.4	-69.9	-41.9	0	0	0	111.9	I635 P636 C637 F873	N580-I635 PolarHBondContact ND2-O 3.29Å; N580-I635 PolarHBondContact OD1-O 3.35Å; N580-P636 WeakPolarHBondContact OD1-CA 3.35Å; N580-C637 HydrophobicContact CB-CB 4.45Å; N580-C637 PolarHBondContact OD1-N 3.41Å; N580-F873 CarbonylContact C-O 3.56Å; N580-F873 WeakPolarHBondContact CA-O 3.22Å; N580-F873 WeakPolarHBondContact OD1-CD1 3.36Å
581	D	85.5	Confident	70.6	Confident	7 Å²	7	85.5 Å²	85.5	4%	0.037	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-118.7	100.3	168.8	-167.2	11.4	0	0	0	109.4	H612 P614 F873 K875 R890	D581-H612 IonicContact OD2-NE2 3.9Å; D581-P614 WeakPolarHBondContact OD2-CA 3.25Å; D581-P614 WeakPolarHBondContact OD2-CB 3.33Å; D581-F873 PolarHBondContact N-O 3.31Å; D581-K875 WeakPolarHBondContact O-CB 3.45Å; D581-K875 PolarHBondContact O-N 3.02Å; D581-R890 VanDerWaalsContact CB-CZ 3.43Å; D581-R890 IonicContact OD2-NE 2.77Å
582	D	77.3	Confident	70.7	Confident	84 Å²	84	80.8 Å²	80.8	45%	0.449	39%	0.389	S	S	.	.			trans	-101.5	112.7	-179.6	-71.1	-24.2	0	0	0	109.9	S584 N587 C637	D582-S584 PolarHBondContact O-N 3.44Å; D582-N587 PolarHBondContact O-ND2 3.12Å; D582-C637 WeakPolarHBondContact OD1-CB 3.27Å; D582-C637 PolarHBondContact OD1-SG 3.36Å
583	Y	69.8	Low	71	Confident	7 Å²	7	81.6 Å²	81.6	3%	0.027	39%	0.391	C	S	.	.			trans	-63	113	173.5	-36.1	-45	0	0	0	109.4	H612 Y843 W845 T874 K875 M877 I886	Y583-H612 AromaticContact CD1-CE1 3.9Å; Y583-H612 AromaticContact CE1-CE1 3.51Å; Y583-Y843 HydrophobicContact CD2-CD2 4.43Å; Y583-W845 AromaticContact CD1-CH2 3.86Å; Y583-W845 HydrophobicContact CD1-CH2 3.86Å; Y583-W845 AromaticContact CD1-CZ3 3.6Å; Y583-W845 HydrophobicContact CD1-CZ3 3.6Å; Y583-W845 HydrophobicContact CE1-CZ3 4.47Å; Y583-W845 HydrophobicContact CG-CH2 4.38Å; Y583-W845 AromaticContact CG-CZ3 3.91Å; Y583-W845 HydrophobicContact CG-CZ3 3.91Å; Y583-T874 WeakPolarHBondContact OH-CG2 3.28Å; Y583-K875 HydrophobicContact CD1-CB 4.48Å; Y583-K875 HydrophobicContact CD2-CB 3.77Å; Y583-K875 HydrophobicContact CD2-CD 3.52Å; Y583-K875 HydrophobicContact CD2-CG 3.69Å; Y583-K875 HydrophobicContact CE1-CB 4.41Å; Y583-K875 HydrophobicContact CE2-CB 3.65Å; Y583-K875 HydrophobicContact CE2-CD 4.23Å; Y583-K875 HydrophobicContact CE2-CG 3.88Å; Y583-K875 WeakPolarHBondContact CE2-O 3.43Å; Y583-K875 HydrophobicContact CG-CB 4.17Å; Y583-K875 HydrophobicContact CG-CD 3.83Å; Y583-K875 HydrophobicContact CG-CG 4.34Å; Y583-K875 PolarHBondContact O-NZ 3.31Å; Y583-K875 PolarHBondContact OH-O 3.26Å; Y583-M877 HydrophobicContact CD2-CG 4.4Å; Y583-M877 HydrophobicContact CE2-CG 3.57Å; Y583-M877 HydrophobicContact CE2-SD 4.03Å; Y583-I886 HydrophobicContact CE1-CG2 4.49Å
584	S	63.6	Low	71.2	Confident	57 Å²	57	82.1 Å²	82.1	40%	0.399	40%	0.4	S	S	.	.			trans	-126.2	146	173.3	71.9	0	0	0	0	109.4	D582 K586 N587 P844	D582-S584 PolarHBondContact O-N 3.44Å; S584-K586 PolarHBondContact O-N 3.42Å; S584-N587 VanDerWaalsContact O-CB 3.24Å; S584-N587 WeakPolarHBondContact O-CB 3.47Å; S584-N587 PolarHBondContact O-N 2.82Å; S584-P844 WeakPolarHBondContact O-CG 3.3Å
585	M	57.5	Low	71.2	Confident	116 Å²	116	77.4 Å²	77.4	57%	0.571	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.9	178.4	-77.9	-178.8	161.4	0	0	113.8	N841	M585-N841 WeakPolarHBondContact CE-OD1 3.35Å
586	K	56.2	Low	71.4	Confident	196 Å²	196	80.7 Å²	80.7	85%	0.852	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	6	178.2	-65.1	-171.9	176.4	-172.5	0	113.3	S584	S584-K586 PolarHBondContact O-N 3.42Å
587	N	58.3	Low	71.4	Confident	50 Å²	50	81.6 Å²	81.6	27%	0.267	41%	0.405	S	S	.	.			trans	-74.8	134.1	-169.4	-149.7	-2.4	0	0	0	111.9	D582 S584 S589 W845	D582-N587 PolarHBondContact O-ND2 3.12Å; S584-N587 VanDerWaalsContact O-CB 3.24Å; S584-N587 WeakPolarHBondContact O-CB 3.47Å; S584-N587 PolarHBondContact O-N 2.82Å; N587-S589 VanDerWaalsContact C-N 3.33Å; N587-S589 PolarHBondContact ND2-OG 2.88Å; N587-S589 VanDerWaalsContact ND2-OG 3.1Å; N587-S589 PolarHBondContact OD1-OG 2.91Å; N587-W845 HydrophobicContact CB-CZ2 4.03Å
588	K	56.3	Low	71.4	Confident	187 Å²	187	85.8 Å²	85.8	81%	0.813	42%	0.42	S	S	*	.			trans	-88	4.3	-179.8	-67.4	-174	177.3	-175.8	0	113.4	Y590	K588-Y590 PolarHBondContact O-N 3.16Å
589	S	66.4	Low	71.1	Confident	25 Å²	25	81.1 Å²	81.1	18%	0.175	41%	0.405	C	S	.	.			trans	-82.4	56.1	-177.7	50.4	0	0	0	0	112.6	N587 Y613 W845	N587-S589 VanDerWaalsContact C-N 3.33Å; N587-S589 PolarHBondContact ND2-OG 2.88Å; N587-S589 VanDerWaalsContact ND2-OG 3.1Å; N587-S589 PolarHBondContact OD1-OG 2.91Å; S589-Y613 WeakPolarHBondContact CB-O 3.49Å; S589-Y613 PolarHBondContact O-N 3.36Å; S589-W845 WeakPolarHBondContact OG-CZ2 3.33Å
590	Y	70.6	Confident	70.3	Confident	116 Å²	116	90.7 Å²	90.7	46%	0.455	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	155.3	170.4	60.7	-87.4	0	0	0	111.2	K588 S592 T610 E611	K588-Y590 PolarHBondContact O-N 3.16Å; Y590-S592 WeakPolarHBondContact CE2-OG 3.41Å; Y590-T610 HydrophobicContact CD2-CG2 4.35Å; Y590-E611 CarbonylContact C-O 3.54Å; Y590-E611 WeakPolarHBondContact CA-O 3.2Å; Y590-E611 WeakPolarHBondContact CB-O 3.4Å
591	I	73.1	Confident	69.7	Low	57 Å²	57	97.1 Å²	97.1	29%	0.292	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.4	164.8	-58.6	168.4	0	0	0	108	H593 E611 Y613	I591-H593 WeakPolarHBondContact CG2-CE1 3.45Å; I591-H593 WeakPolarHBondContact CG2-NE2 3.39Å; I591-E611 PolarHBondContact N-O 3.47Å; I591-E611 PolarHBondContact O-N 3.35Å; I591-E611 VanDerWaalsContact O-N 3.09Å; I591-Y613 HydrophobicContact CD1-CD1 4.06Å; I591-Y613 HydrophobicContact CD1-CD2 3.21Å; I591-Y613 HydrophobicContact CD1-CE1 4.43Å; I591-Y613 HydrophobicContact CD1-CE2 3.65Å; I591-Y613 HydrophobicContact CD1-CG 3.42Å; I591-Y613 VanDerWaalsContact CD1-CG 3.42Å; I591-Y613 HydrophobicContact CG1-CD1 4.39Å; I591-Y613 HydrophobicContact CG1-CD2 4.11Å; I591-Y613 HydrophobicContact CG1-CG 3.83Å
592	S	70.4	Confident	69.1	Low	58 Å²	58	98.2 Å²	98.2	41%	0.406	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.9	172.1	-75.1	0	0	0	0	109.4	Y590 I608 L609	Y590-S592 WeakPolarHBondContact CE2-OG 3.41Å; S592-I608 VanDerWaalsContact CB-CG2 3.46Å; S592-I608 WeakPolarHBondContact OG-CG2 3.29Å; S592-L609 WeakPolarHBondContact CA-O 3.3Å
593	H	72.3	Confident	69.1	Low	75 Å²	75	99.4 Å²	99.4	35%	0.347	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.4	172.8	-46.5	93.9	0	0	0	109.1	I591 I595 L609 E611	I591-H593 WeakPolarHBondContact CG2-CE1 3.45Å; I591-H593 WeakPolarHBondContact CG2-NE2 3.39Å; H593-I595 PolarHBondContact O-N 2.83Å; H593-L609 PolarHBondContact N-O 2.72Å; H593-L609 PolarHBondContact O-N 3.44Å; H593-E611 IonicContact CE1-OE2 3.2Å; H593-E611 PolarHBondContact CE1-OE2 3.3Å
594	P	67.9	Low	69.1	Low	108 Å²	108	104.1 Å²	104.1	70%	0.701	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	127.6	170.7	29.2	-31.1	0	0	0	109.5	Y607	P594-Y607 CarbonylContact C-O 3.54Å; P594-Y607 WeakPolarHBondContact CA-O 3.38Å
595	I	69.2	Low	69.6	Low	73 Å²	73	103.5 Å²	103.5	37%	0.374	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.9	168.1	-62.3	-167.7	0	0	0	108.4	H593 A606 Y607 L609	H593-I595 PolarHBondContact O-N 2.83Å; I595-A606 CarbonylContact O-C 3.58Å; I595-A606 WeakPolarHBondContact O-CA 3.38Å; I595-Y607 PolarHBondContact N-O 2.64Å; I595-Y607 PolarHBondContact O-N 3.44Å; I595-L609 HydrophobicContact CD1-CD1 3.19Å; I595-L609 HydrophobicContact CD1-CD2 4.27Å; I595-L609 HydrophobicContact CD1-CG 3.45Å; I595-L609 VanDerWaalsContact CD1-CG 3.45Å; I595-L609 HydrophobicContact CG1-CD1 4.16Å; I595-L609 HydrophobicContact CG1-CG 3.88Å
596	L	73	Confident	70.1	Confident	143 Å²	143	101.4 Å²	101.4	75%	0.749	52%	0.516	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	119.6	169.1	-65.7	168.6	0	0	0	108.6	A606	L596-A606 HydrophobicContact CD2-CB 4.14Å
597	T	75.8	Confident	70.6	Confident	64 Å²	64	98.4 Å²	98.4	39%	0.393	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	-174.4	169.5	-170.7	0	0	0	0	109.6	P604 I605 Y607	T597-P604 CarbonylContact O-C 3.53Å; T597-P604 VanDerWaalsContact O-CA 3.26Å; T597-P604 WeakPolarHBondContact O-CA 3.39Å; T597-I605 HydrophobicContact CG2-CD1 4.13Å; T597-I605 HydrophobicContact CG2-CG1 3.74Å; T597-I605 PolarHBondContact N-O 3.33Å; T597-I605 PolarHBondContact O-N 3.37Å; T597-Y607 HydrophobicContact CG2-CD2 3.26Å; T597-Y607 HydrophobicContact CG2-CE2 3.23Å
598	R	76.7	Confident	71.1	Confident	185 Å²	185	101.7 Å²	101.7	70%	0.698	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.7	176.6	-67.3	179.3	178.7	-128.1	10.6	110.8	G602 Q603	R598-G602 WeakPolarHBondContact CD-O 3.17Å; R598-G602 PolarHBondContact NH1-O 3.02Å; R598-Q603 CarbonylContact C-O 3.25Å; R598-Q603 VanDerWaalsContact CA-O 3.23Å; R598-Q603 WeakPolarHBondContact CA-O 3.25Å
599	N	76.1	Confident	71.8	Confident	48 Å²	48	93.6 Å²	93.6	26%	0.257	48%	0.483	S	S	.	.			trans	-72.9	178.3	171	69.2	8.2	0	0	0	111.2	K601 G602 Q603 I605	N599-K601 PolarHBondContact O-N 3.48Å; N599-K601 WeakPolarHBondContact OD1-CA 3.41Å; N599-K601 WeakPolarHBondContact OD1-CB 3.06Å; N599-K601 PolarHBondContact OD1-N 3.38Å; N599-G602 PolarHBondContact O-N 2.76Å; N599-G602 PolarHBondContact OD1-N 3.46Å; N599-G602 VanDerWaalsContact OD1-N 3.16Å; N599-Q603 PolarHBondContact N-O 2.96Å; N599-Q603 PolarHBondContact ND2-OE1 2.82Å; N599-Q603 WeakPolarHBondContact OD1-CB 3.26Å; N599-Q603 PolarHBondContact OD1-N 2.94Å; N599-I605 HydrophobicContact CB-CD1 3.82Å; N599-I605 HydrophobicContact CB-CG1 4.29Å; N599-I605 HydrophobicContact CB-CG2 4.18Å
600	E	71.2	Confident	72.3	Confident	210 Å²	210	94.1 Å²	94.1	98%	0.981	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-21.8	177.3	-63.4	178.7	177.6	0	0	113.7
601	K	76.8	Confident	72.9	Confident	174 Å²	174	89.4 Å²	89.4	76%	0.757	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	6.2	176.1	-59.7	-177	179.4	-178.8	0	113.4	N599 Q603	N599-K601 PolarHBondContact O-N 3.48Å; N599-K601 WeakPolarHBondContact OD1-CA 3.41Å; N599-K601 WeakPolarHBondContact OD1-CB 3.06Å; N599-K601 PolarHBondContact OD1-N 3.38Å; K601-Q603 VanDerWaalsContact C-N 3.28Å; K601-Q603 HydrophobicContact CB-CG 4.32Å; K601-Q603 PolarHBondContact O-N 2.97Å
602	G	72.4	Confident	73.5	Confident	30 Å²	30	86.7 Å²	86.7	31%	0.309	45%	0.453	S	S	.	.	S	Bend	trans	76.9	5.1	-179.6	0	0	0	0	0	115.5	R598 N599	R598-G602 WeakPolarHBondContact CD-O 3.17Å; R598-G602 PolarHBondContact NH1-O 3.02Å; N599-G602 PolarHBondContact O-N 2.76Å; N599-G602 PolarHBondContact OD1-N 3.46Å; N599-G602 VanDerWaalsContact OD1-N 3.16Å
603	Q	78	Confident	74.3	Confident	109 Å²	109	89.2 Å²	89.2	51%	0.509	45%	0.454	S	S	.	.			trans	-80.6	138.1	-178.7	-57.9	171.6	-40.3	0	0	110.7	R598 N599 K601 I605	R598-Q603 CarbonylContact C-O 3.25Å; R598-Q603 VanDerWaalsContact CA-O 3.23Å; R598-Q603 WeakPolarHBondContact CA-O 3.25Å; N599-Q603 PolarHBondContact N-O 2.96Å; N599-Q603 PolarHBondContact ND2-OE1 2.82Å; N599-Q603 WeakPolarHBondContact OD1-CB 3.26Å; N599-Q603 PolarHBondContact OD1-N 2.94Å; K601-Q603 VanDerWaalsContact C-N 3.28Å; K601-Q603 HydrophobicContact CB-CG 4.32Å; K601-Q603 PolarHBondContact O-N 2.97Å; Q603-I605 PolarHBondContact O-N 2.53Å
604	P	69.1	Low	75	Confident	105 Å²	105	85.9 Å²	85.9	68%	0.682	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	127.3	177.4	25	-31	0	0	0	110.9	T597	T597-P604 CarbonylContact O-C 3.53Å; T597-P604 VanDerWaalsContact O-CA 3.26Å; T597-P604 WeakPolarHBondContact O-CA 3.39Å
605	I	73.7	Confident	76	Confident	44 Å²	44	85.4 Å²	85.4	23%	0.226	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.9	174.1	53.1	167.9	0	0	0	109.4	T597 N599 Q603 Y607	T597-I605 HydrophobicContact CG2-CD1 4.13Å; T597-I605 HydrophobicContact CG2-CG1 3.74Å; T597-I605 PolarHBondContact N-O 3.33Å; T597-I605 PolarHBondContact O-N 3.37Å; N599-I605 HydrophobicContact CB-CD1 3.82Å; N599-I605 HydrophobicContact CB-CG1 4.29Å; N599-I605 HydrophobicContact CB-CG2 4.18Å; Q603-I605 PolarHBondContact O-N 2.53Å; I605-Y607 HydrophobicContact CD1-CD2 4.16Å; I605-Y607 HydrophobicContact CD1-CE1 4.39Å; I605-Y607 HydrophobicContact CD1-CE2 3.18Å; I605-Y607 WeakPolarHBondContact CD1-OH 3.5Å; I605-Y607 HydrophobicContact CG1-CD2 4.39Å; I605-Y607 HydrophobicContact CG1-CE2 3.82Å
606	A	68.7	Low	77.1	Confident	73 Å²	73	88.4 Å²	88.4	60%	0.603	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	117.8	175.7	0	0	0	0	0	109.6	I595 L596	I595-A606 CarbonylContact O-C 3.58Å; I595-A606 WeakPolarHBondContact O-CA 3.38Å; L596-A606 HydrophobicContact CD2-CB 4.14Å
607	Y	67.5	Low	78.1	Confident	133 Å²	133	81.6 Å²	81.6	52%	0.522	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	141.3	166.3	-70	-77.5	0	0	0	109.9	P594 I595 T597 I605	P594-Y607 CarbonylContact C-O 3.54Å; P594-Y607 WeakPolarHBondContact CA-O 3.38Å; I595-Y607 PolarHBondContact N-O 2.64Å; I595-Y607 PolarHBondContact O-N 3.44Å; T597-Y607 HydrophobicContact CG2-CD2 3.26Å; T597-Y607 HydrophobicContact CG2-CE2 3.23Å; I605-Y607 HydrophobicContact CD1-CD2 4.16Å; I605-Y607 HydrophobicContact CD1-CE1 4.39Å; I605-Y607 HydrophobicContact CD1-CE2 3.18Å; I605-Y607 WeakPolarHBondContact CD1-OH 3.5Å; I605-Y607 HydrophobicContact CG1-CD2 4.39Å; I605-Y607 HydrophobicContact CG1-CE2 3.82Å
608	I	67.9	Low	79.1	Confident	118 Å²	118	80.6 Å²	80.6	61%	0.605	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	112.4	167.9	-62.1	173.7	0	0	0	107.3	S592	S592-I608 VanDerWaalsContact CB-CG2 3.46Å; S592-I608 WeakPolarHBondContact OG-CG2 3.29Å
609	L	71.2	Confident	79.9	Confident	18 Å²	18	72.4 Å²	72.4	9%	0.094	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	131.9	169	-64.6	-154.1	0	0	0	110	S592 H593 I595 F822 Y847	S592-L609 WeakPolarHBondContact CA-O 3.3Å; H593-L609 PolarHBondContact N-O 2.72Å; H593-L609 PolarHBondContact O-N 3.44Å; I595-L609 HydrophobicContact CD1-CD1 3.19Å; I595-L609 HydrophobicContact CD1-CD2 4.27Å; I595-L609 HydrophobicContact CD1-CG 3.45Å; I595-L609 VanDerWaalsContact CD1-CG 3.45Å; I595-L609 HydrophobicContact CG1-CD1 4.16Å; I595-L609 HydrophobicContact CG1-CG 3.88Å; L609-F822 HydrophobicContact CD1-CE1 4.34Å; L609-F822 HydrophobicContact CD1-CZ 4.25Å; L609-Y847 HydrophobicContact CB-CD2 4.24Å; L609-Y847 HydrophobicContact CB-CE2 4.3Å; L609-Y847 HydrophobicContact CD1-CD1 3.99Å; L609-Y847 HydrophobicContact CD1-CD2 4.2Å; L609-Y847 HydrophobicContact CD1-CE1 3.71Å; L609-Y847 HydrophobicContact CD1-CE2 3.99Å; L609-Y847 HydrophobicContact CD1-CG 4.23Å; L609-Y847 HydrophobicContact CD2-CD2 4.25Å; L609-Y847 HydrophobicContact CD2-CE1 4.36Å; L609-Y847 HydrophobicContact CD2-CE2 3.47Å; L609-Y847 VanDerWaalsContact CD2-CE2 3.47Å; L609-Y847 WeakPolarHBondContact CD2-OH 3.39Å; L609-Y847 HydrophobicContact CG-CD2 4.46Å; L609-Y847 HydrophobicContact CG-CE2 4.12Å
610	T	77.4	Confident	80.6	Confident	36 Å²	36	74.2 Å²	74.2	22%	0.221	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	95.2	170.5	56.8	0	0	0	0	109.6	Y590 D846 Y847	Y590-T610 HydrophobicContact CD2-CG2 4.35Å; T610-D846 PolarHBondContact OG1-OD2 2.6Å; T610-Y847 PolarHBondContact O-N 3.24Å
611	E	82.6	Confident	81.6	Confident	16 Å²	16	69.5 Å²	69.5	8%	0.075	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.2	173.9	-172.3	-173	166.7	0	0	109.3	Y590 I591 H593 Y613 F822	Y590-E611 CarbonylContact C-O 3.54Å; Y590-E611 WeakPolarHBondContact CA-O 3.2Å; Y590-E611 WeakPolarHBondContact CB-O 3.4Å; I591-E611 PolarHBondContact N-O 3.47Å; I591-E611 PolarHBondContact O-N 3.35Å; I591-E611 VanDerWaalsContact O-N 3.09Å; H593-E611 IonicContact CE1-OE2 3.2Å; H593-E611 PolarHBondContact CE1-OE2 3.3Å; E611-Y613 PolarHBondContact O-N 3.5Å; E611-F822 HydrophobicContact CG-CE2 4.42Å
612	H	86.2	Confident	82.2	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	125	169.6	177.3	-153.1	0	0	0	110.7	D581 Y583 P614 Y843 W845 Y847	D581-H612 IonicContact OD2-NE2 3.9Å; Y583-H612 AromaticContact CD1-CE1 3.9Å; Y583-H612 AromaticContact CE1-CE1 3.51Å; H612-P614 WeakPolarHBondContact O-CD 3.38Å; H612-Y843 HydrophobicContact CB-CE1 4.46Å; H612-Y843 HydrophobicContact CB-CE2 4.33Å; H612-Y843 WeakPolarHBondContact CB-OH 3.19Å; H612-Y843 AromaticContact CG-CZ 3.98Å; H612-Y843 AromaticContact ND1-CE2 3.47Å; H612-Y843 WeakPolarHBondContact ND1-CE2 3.4Å; H612-Y843 AromaticContact ND1-CZ 3.67Å; H612-Y843 PolarHBondContact ND1-OH 3.15Å; H612-W845 HydrophobicContact CB-CB 4.06Å; H612-W845 HydrophobicContact CB-CD2 3.59Å; H612-W845 HydrophobicContact CB-CE3 3.74Å; H612-W845 HydrophobicContact CB-CG 3.73Å; H612-W845 HydrophobicContact CB-CZ3 4.37Å; H612-W845 AromaticContact CD2-CD2 3.79Å; H612-W845 AromaticContact CD2-CE2 3.64Å; H612-W845 AromaticContact CD2-CE3 3.71Å; H612-W845 AromaticContact CD2-CH2 3.32Å; H612-W845 WeakPolarHBondContact CD2-CH2 3.45Å; H612-W845 AromaticContact CD2-CZ2 3.43Å; H612-W845 VanDerWaalsContact CD2-CZ2 3.43Å; H612-W845 WeakPolarHBondContact CD2-CZ2 3.34Å; H612-W845 AromaticContact CD2-CZ3 3.46Å; H612-W845 VanDerWaalsContact CD2-CZ3 3.46Å; H612-W845 WeakPolarHBondContact CD2-CZ3 3.45Å; H612-W845 AromaticContact CE1-CZ3 3.74Å; H612-W845 AromaticContact CG-CD2 3.76Å; H612-W845 AromaticContact CG-CE3 3.55Å; H612-W845 AromaticContact CG-CZ3 3.68Å; H612-W845 AromaticContact ND1-CE3 3.97Å; H612-W845 AromaticContact ND1-CZ3 3.85Å; H612-W845 AromaticContact NE2-CH2 3.34Å; H612-W845 VanDerWaalsContact NE2-CH2 3.34Å; H612-W845 WeakPolarHBondContact NE2-CH2 3.49Å; H612-W845 AromaticContact NE2-CZ2 3.89Å; H612-W845 AromaticContact NE2-CZ3 3.53Å; H612-Y847 PolarHBondContact N-O 3.22Å
613	Y	86.7	Confident	82.9	Confident	112 Å²	112	62.7 Å²	62.7	44%	0.439	31%	0.314	S	S	.	.			trans	-116.8	85.6	175.4	-169.3	-104.3	0	0	0	109.4	S589 I591 E611	S589-Y613 WeakPolarHBondContact CB-O 3.49Å; S589-Y613 PolarHBondContact O-N 3.36Å; I591-Y613 HydrophobicContact CD1-CD1 4.06Å; I591-Y613 HydrophobicContact CD1-CD2 3.21Å; I591-Y613 HydrophobicContact CD1-CE1 4.43Å; I591-Y613 HydrophobicContact CD1-CE2 3.65Å; I591-Y613 HydrophobicContact CD1-CG 3.42Å; I591-Y613 VanDerWaalsContact CD1-CG 3.42Å; I591-Y613 HydrophobicContact CG1-CD1 4.39Å; I591-Y613 HydrophobicContact CG1-CD2 4.11Å; I591-Y613 HydrophobicContact CG1-CG 3.83Å; E611-Y613 PolarHBondContact O-N 3.5Å
614	P	88	Confident	83.2	Confident	4 Å²	4	64.1 Å²	64.1	3%	0.026	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-69.4	149.1	-172.6	33.4	-39.7	0	0	0	110.7	D581 H612 I886 K889 R890	D581-P614 WeakPolarHBondContact OD2-CA 3.25Å; D581-P614 WeakPolarHBondContact OD2-CB 3.33Å; H612-P614 WeakPolarHBondContact O-CD 3.38Å; P614-I886 HydrophobicContact CB-CG2 4.15Å; P614-I886 HydrophobicContact CG-CG2 4.16Å; P614-K889 HydrophobicContact CG-CB 4Å; P614-K889 HydrophobicContact CG-CG 3.76Å; P614-R890 HydrophobicContact CB-CG 3.38Å; P614-R890 HydrophobicContact CG-CG 3.55Å
615	K	88.3	Confident	83.9	Confident	99 Å²	99	59.2 Å²	59.2	43%	0.43	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-67.6	136.9	-175	-173.8	-176.5	174.6	-165	0	111.2	Y578 F617 R890	Y578-K615 PolarHBondContact O-NZ 2.8Å; K615-F617 PolarHBondContact O-N 3.26Å; K615-R890 PolarHBondContact O-NE 3Å; K615-R890 PolarHBondContact O-NH2 2.98Å
616	Y	92.3	Very high	84.2	Confident	135 Å²	135	58 Å²	58	53%	0.529	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-53.1	129	176.4	176.5	-109.5	0	0	0	112.2	N618 R890 N892	Y616-N618 HydrophobicContact CD1-CB 4.35Å; Y616-N618 HydrophobicContact CE1-CB 3.75Å; Y616-R890 CarbonylContact C-O 3.5Å; Y616-R890 VanDerWaalsContact CA-O 3.26Å; Y616-R890 WeakPolarHBondContact CA-O 3.48Å; Y616-R890 WeakPolarHBondContact CD2-O 3.44Å; Y616-N892 HydrophobicContact CD2-CB 3.98Å; Y616-N892 HydrophobicContact CE2-CB 4.04Å
617	F	94.6	Very high	84.6	Confident	1 Å²	1	59 Å²	59	0%	0.004	28%	0.284	C	S	.	.			trans	-101.4	109	178	-175.6	-94.1	0	0	0	110.2	F579 K615 V619 A622 F869 A870 F873 R890 L891	F579-F617 HydrophobicContact CB-CD2 4.43Å; F579-F617 HydrophobicContact CB-CE2 4.02Å; F579-F617 HydrophobicContact CD1-CD2 4.5Å; F579-F617 HydrophobicContact CD1-CE2 4.24Å; F579-F617 HydrophobicContact CG-CE2 4.35Å; K615-F617 PolarHBondContact O-N 3.26Å; F617-V619 HydrophobicContact CD1-CG2 3.79Å; F617-V619 HydrophobicContact CE1-CB 4.42Å; F617-V619 HydrophobicContact CE1-CG2 3.89Å; F617-V619 PolarHBondContact O-N 2.87Å; F617-A622 HydrophobicContact CE1-CB 3.95Å; F617-A622 HydrophobicContact CE2-CB 4.13Å; F617-A622 HydrophobicContact CZ-CB 3.46Å; F617-A622 VanDerWaalsContact CZ-CB 3.46Å; F617-F869 WeakPolarHBondContact CZ-O 3.34Å; F617-A870 HydrophobicContact CD1-CB 3.63Å; F617-A870 HydrophobicContact CE1-CB 3.92Å; F617-A870 HydrophobicContact CG-CB 4.02Å; F617-F873 HydrophobicContact CD2-CB 4.24Å; F617-F873 HydrophobicContact CE2-CB 3.64Å; F617-F873 HydrophobicContact CE2-CD1 4.5Å; F617-F873 AromaticContact CE2-CD2 3.53Å; F617-F873 HydrophobicContact CE2-CD2 3.53Å; F617-F873 HydrophobicContact CE2-CE2 4.28Å; F617-F873 AromaticContact CE2-CG 3.66Å; F617-F873 HydrophobicContact CE2-CG 3.66Å; F617-F873 AromaticContact CZ-CD2 3.61Å; F617-F873 HydrophobicContact CZ-CD2 3.61Å; F617-F873 HydrophobicContact CZ-CE2 4.06Å; F617-F873 HydrophobicContact CZ-CG 4.23Å; F617-R890 HydrophobicContact CB-CB 4.25Å; F617-R890 PolarHBondContact N-O 2.79Å; F617-L891 HydrophobicContact CB-CD2 4.47Å; F617-L891 HydrophobicContact CD1-CD2 4.01Å
618	N	95	Very high	85.1	Confident	43 Å²	43	56.4 Å²	56.4	23%	0.23	29%	0.285	C	S	.	.			trans	-85.8	97.9	178	-172.1	-46.8	0	0	0	110.6	Y616 T620 K621 A622	Y616-N618 HydrophobicContact CD1-CB 4.35Å; Y616-N618 HydrophobicContact CE1-CB 3.75Å; N618-T620 VanDerWaalsContact C-N 3.33Å; N618-T620 PolarHBondContact O-N 3.47Å; N618-T620 PolarHBondContact OD1-N 3.34Å; N618-K621 HydrophobicContact CB-CB 4.11Å; N618-K621 HydrophobicContact CB-CD 4.21Å; N618-K621 HydrophobicContact CB-CG 4.28Å; N618-K621 PolarHBondContact O-N 3.05Å; N618-K621 PolarHBondContact OD1-N 3.03Å; N618-A622 PolarHBondContact O-N 3.12Å
619	V	93.5	Very high	85.6	Confident	12 Å²	12	51.1 Å²	51.1	7%	0.073	26%	0.26	C	S	.	.	H	α-helix	trans	-57.3	-42.4	-177.9	-178.4	0	0	0	0	112.1	F617 K621 A622 L623 D866 F869 L891	F617-V619 HydrophobicContact CD1-CG2 3.79Å; F617-V619 HydrophobicContact CE1-CB 4.42Å; F617-V619 HydrophobicContact CE1-CG2 3.89Å; F617-V619 PolarHBondContact O-N 2.87Å; V619-K621 PolarHBondContact O-N 3.01Å; V619-A622 PolarHBondContact O-N 2.8Å; V619-L623 HydrophobicContact CG1-CD1 3.9Å; V619-L623 HydrophobicContact CG1-CG 4.18Å; V619-L623 WeakPolarHBondContact O-CB 3.36Å; V619-L623 WeakPolarHBondContact O-CG 3.17Å; V619-L623 PolarHBondContact O-N 2.73Å; V619-D866 HydrophobicContact CG2-CB 3.92Å; V619-F869 HydrophobicContact CG1-CB 4.45Å; V619-L891 HydrophobicContact CG2-CD2 3.49Å; V619-L891 VanDerWaalsContact CG2-CD2 3.49Å
620	T	91.8	Very high	85.9	Confident	86 Å²	86	50.3 Å²	50.3	53%	0.528	26%	0.256	S	S	.	.	H	α-helix	trans	-63.3	-43	-179.8	-59.8	0	0	0	0	111.9	N618 K624	N618-T620 VanDerWaalsContact C-N 3.33Å; N618-T620 PolarHBondContact O-N 3.47Å; N618-T620 PolarHBondContact OD1-N 3.34Å; T620-K624 WeakPolarHBondContact O-CG 3.38Å; T620-K624 PolarHBondContact O-N 2.73Å; T620-K624 VanDerWaalsContact O-N 3.16Å
621	K	90.9	Very high	85.9	Confident	111 Å²	111	49 Å²	49	48%	0.483	25%	0.247	S	C	.	.	H	α-helix	trans	-65.9	-41.8	174.6	-72.5	-176.4	-179.3	-177.8	0	111.2	Y577 F579 N618 V619 K624 A625	Y577-K621 HydrophobicContact CD1-CD 4.49Å; F579-K621 HydrophobicContact CE1-CB 4.03Å; F579-K621 HydrophobicContact CZ-CB 4.06Å; N618-K621 HydrophobicContact CB-CB 4.11Å; N618-K621 HydrophobicContact CB-CD 4.21Å; N618-K621 HydrophobicContact CB-CG 4.28Å; N618-K621 PolarHBondContact O-N 3.05Å; N618-K621 PolarHBondContact OD1-N 3.03Å; V619-K621 PolarHBondContact O-N 3.01Å; K621-K624 PolarHBondContact O-N 3.15Å; K621-A625 WeakPolarHBondContact O-CB 3.32Å; K621-A625 PolarHBondContact O-N 2.75Å
622	A	89.7	Confident	85.5	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.008	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-47.2	178.2	0	0	0	0	0	111.7	F579 F617 N618 V619 K624 A625 I626	F579-A622 HydrophobicContact CD1-CB 4.22Å; F579-A622 HydrophobicContact CE1-CB 3.95Å; F579-A622 HydrophobicContact CE2-CB 4.39Å; F579-A622 VanDerWaalsContact CZ-CA 3.45Å; F579-A622 HydrophobicContact CZ-CB 4.05Å; F617-A622 HydrophobicContact CE1-CB 3.95Å; F617-A622 HydrophobicContact CE2-CB 4.13Å; F617-A622 HydrophobicContact CZ-CB 3.46Å; F617-A622 VanDerWaalsContact CZ-CB 3.46Å; N618-A622 PolarHBondContact O-N 3.12Å; V619-A622 PolarHBondContact O-N 2.8Å; A622-K624 PolarHBondContact O-N 3.32Å; A622-A625 CarbonylContact O-C 3.53Å; A622-A625 PolarHBondContact O-N 3.35Å; A622-A625 VanDerWaalsContact O-N 3.1Å; A622-I626 WeakPolarHBondContact O-CB 3.38Å; A622-I626 WeakPolarHBondContact O-CD1 3.1Å; A622-I626 VanDerWaalsContact O-CG1 3.22Å; A622-I626 WeakPolarHBondContact O-CG1 3.48Å; A622-I626 PolarHBondContact O-N 3.33Å
623	L	87.5	Confident	85	Confident	60 Å²	60	58.5 Å²	58.5	31%	0.314	29%	0.292	S	S	.	.	H	α-helix	trans	-60.7	-42.4	176.8	-71.7	173.6	0	0	0	112.7	V619 A625 I626 S627 F869	V619-L623 HydrophobicContact CG1-CD1 3.9Å; V619-L623 HydrophobicContact CG1-CG 4.18Å; V619-L623 WeakPolarHBondContact O-CB 3.36Å; V619-L623 WeakPolarHBondContact O-CG 3.17Å; V619-L623 PolarHBondContact O-N 2.73Å; L623-A625 VanDerWaalsContact C-N 3.31Å; L623-A625 PolarHBondContact O-N 3.38Å; L623-I626 PolarHBondContact O-N 3.08Å; L623-S627 WeakPolarHBondContact O-CB 3.46Å; L623-S627 PolarHBondContact O-N 3.39Å; L623-S627 PolarHBondContact O-OG 3.27Å; L623-F869 HydrophobicContact CD2-CD1 3.63Å; L623-F869 HydrophobicContact CD2-CD2 4.28Å; L623-F869 HydrophobicContact CD2-CE1 3.38Å; L623-F869 HydrophobicContact CD2-CE2 4.09Å; L623-F869 HydrophobicContact CD2-CG 4.09Å; L623-F869 HydrophobicContact CD2-CZ 3.64Å
624	K	84.4	Confident	84.8	Confident	139 Å²	139	53.3 Å²	53.3	60%	0.604	27%	0.272	S	S	*	.	H	α-helix	trans	-61.6	-40.3	173.2	-73.5	177.8	-179.3	-176.7	0	111.6	T620 K621 A622 S627 S628	T620-K624 WeakPolarHBondContact O-CG 3.38Å; T620-K624 PolarHBondContact O-N 2.73Å; T620-K624 VanDerWaalsContact O-N 3.16Å; K621-K624 PolarHBondContact O-N 3.15Å; A622-K624 PolarHBondContact O-N 3.32Å; K624-S627 WeakPolarHBondContact CA-OG 3.36Å; K624-S627 PolarHBondContact O-OG 2.76Å; K624-S628 WeakPolarHBondContact O-CB 3.42Å; K624-S628 PolarHBondContact O-N 2.83Å; K624-S628 PolarHBondContact O-OG 2.66Å
625	A	83	Confident	84.3	Confident	2 Å²	2	55.7 Å²	55.7	2%	0.017	28%	0.284	C	S	.	.	H	α-helix	trans	-71.7	-39	178.5	0	0	0	0	0	112.2	Y577 F579 K621 A622 L623 S628 G629 L630	Y577-A625 HydrophobicContact CD2-CB 4.03Å; Y577-A625 HydrophobicContact CE2-CB 3.98Å; F579-A625 HydrophobicContact CE2-CB 3.63Å; F579-A625 HydrophobicContact CZ-CB 4.04Å; K621-A625 WeakPolarHBondContact O-CB 3.32Å; K621-A625 PolarHBondContact O-N 2.75Å; A622-A625 CarbonylContact O-C 3.53Å; A622-A625 PolarHBondContact O-N 3.35Å; A622-A625 VanDerWaalsContact O-N 3.1Å; L623-A625 VanDerWaalsContact C-N 3.31Å; L623-A625 PolarHBondContact O-N 3.38Å; A625-S628 PolarHBondContact O-N 2.8Å; A625-G629 CarbonylContact O-C 3.53Å; A625-G629 VanDerWaalsContact O-CA 3.31Å; A625-G629 WeakPolarHBondContact O-CA 2.9Å; A625-G629 PolarHBondContact O-N 3.11Å; A625-L630 HydrophobicContact CB-CD2 3.56Å
626	I	80.7	Confident	84.1	Confident	18 Å²	18	51.5 Å²	51.5	9%	0.092	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-48.1	175.4	-70.9	156.3	0	0	0	110.5	L565 Y566 A622 L623 L630 F869 F873	L565-I626 HydrophobicContact CD1-CD1 4.33Å; L565-I626 HydrophobicContact CD1-CG2 4.4Å; L565-I626 HydrophobicContact CD2-CD1 3.7Å; L565-I626 HydrophobicContact CD2-CG1 4.33Å; L565-I626 HydrophobicContact CG-CD1 4.45Å; Y566-I626 WeakPolarHBondContact O-CG2 3.49Å; A622-I626 WeakPolarHBondContact O-CB 3.38Å; A622-I626 WeakPolarHBondContact O-CD1 3.1Å; A622-I626 VanDerWaalsContact O-CG1 3.22Å; A622-I626 WeakPolarHBondContact O-CG1 3.48Å; A622-I626 PolarHBondContact O-N 3.33Å; L623-I626 PolarHBondContact O-N 3.08Å; I626-L630 HydrophobicContact CG1-CD1 4.38Å; I626-L630 HydrophobicContact CG1-CD2 4.38Å; I626-F869 HydrophobicContact CD1-CD1 4.32Å; I626-F873 HydrophobicContact CD1-CE2 4.15Å; I626-F873 HydrophobicContact CD1-CZ 4.16Å; I626-F873 HydrophobicContact CG1-CZ 4.22Å
627	S	77.4	Confident	83.7	Confident	95 Å²	95	47.3 Å²	47.3	66%	0.664	26%	0.257	S	S	*	.	H	α-helix	trans	-68	-35.5	-179.6	52.5	0	0	0	0	113.4	L623 K624	L623-S627 WeakPolarHBondContact O-CB 3.46Å; L623-S627 PolarHBondContact O-N 3.39Å; L623-S627 PolarHBondContact O-OG 3.27Å; K624-S627 WeakPolarHBondContact CA-OG 3.36Å; K624-S627 PolarHBondContact O-OG 2.76Å
628	S	79.1	Confident	83.2	Confident	78 Å²	78	47.7 Å²	47.7	55%	0.545	26%	0.259	S	S	.	.	H	α-helix	trans	-89.1	-13.3	178.3	60.6	0	0	0	0	114.7	K624 A625	K624-S628 WeakPolarHBondContact O-CB 3.42Å; K624-S628 PolarHBondContact O-N 2.83Å; K624-S628 PolarHBondContact O-OG 2.66Å; A625-S628 PolarHBondContact O-N 2.8Å
629	G	77.5	Confident	82.7	Confident	7 Å²	7	46 Å²	46	7%	0.072	25%	0.249	C	C	.	.			trans	104.6	133.3	-175.5	0	0	0	0	0	113.3	N568 A625	N568-G629 CarbonylContact O-C 3.45Å; N568-G629 VanDerWaalsContact O-CA 3.27Å; N568-G629 WeakPolarHBondContact O-CA 3.49Å; A625-G629 CarbonylContact O-C 3.53Å; A625-G629 VanDerWaalsContact O-CA 3.31Å; A625-G629 WeakPolarHBondContact O-CA 2.9Å; A625-G629 PolarHBondContact O-N 3.11Å
630	L	77.9	Confident	82	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	141.9	-179.8	-64.1	177.7	0	0	0	111.6	Y567 N568 I569 R570 F579 A625 I626 E634 P636 F873	Y567-L630 HydrophobicContact CD1-CD1 4.24Å; Y567-L630 HydrophobicContact CD2-CB 4.37Å; Y567-L630 HydrophobicContact CD2-CD1 3.7Å; Y567-L630 HydrophobicContact CD2-CG 4.3Å; Y567-L630 HydrophobicContact CE2-CD1 4.33Å; Y567-L630 HydrophobicContact CG-CD1 3.66Å; Y567-L630 HydrophobicContact CG-CG 4.42Å; N568-L630 PolarHBondContact O-N 3.5Å; I569-L630 CarbonylContact C-O 3.01Å; I569-L630 VanDerWaalsContact CA-O 3.29Å; I569-L630 WeakPolarHBondContact CA-O 3.25Å; R570-L630 PolarHBondContact N-O 2.75Å; F579-L630 HydrophobicContact CE2-CD2 4.34Å; A625-L630 HydrophobicContact CB-CD2 3.56Å; I626-L630 HydrophobicContact CG1-CD1 4.38Å; I626-L630 HydrophobicContact CG1-CD2 4.38Å; L630-E634 HydrophobicContact CB-CB 4.18Å; L630-E634 HydrophobicContact CD2-CB 4.3Å; L630-P636 HydrophobicContact CD1-CG 4.18Å; L630-F873 HydrophobicContact CD1-CE1 4.02Å; L630-F873 HydrophobicContact CD1-CZ 4.02Å
631	S	75.9	Confident	81.4	Confident	7 Å²	7	47 Å²	47	5%	0.049	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	154.2	167.5	174.3	0	0	0	0	110.8	K633 E634	S631-K633 PolarHBondContact O-N 3.47Å; S631-K633 PolarHBondContact OG-N 3.04Å; S631-E634 PolarHBondContact O-N 3.08Å
632	L	75.2	Confident	81.2	Confident	82 Å²	82	42.3 Å²	42.3	43%	0.429	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-53.6	-26.4	173.1	-77	170.3	0	0	0	113.6	I569 Y571 I635	I569-L632 HydrophobicContact CD1-CD2 4.09Å; I569-L632 HydrophobicContact CG2-CD2 3.66Å; I569-L632 HydrophobicContact CG2-CG 3.85Å; Y571-L632 HydrophobicContact CD1-CD1 4.34Å; L632-I635 HydrophobicContact CD2-CD1 4.26Å; L632-I635 WeakPolarHBondContact O-CD1 3.25Å; L632-I635 WeakPolarHBondContact O-CG1 3.48Å
633	K	76.4	Confident	81.1	Confident	135 Å²	135	42.6 Å²	42.6	59%	0.587	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-85	-9.5	177.1	-63.3	-177.8	-176.6	175.5	0	113.9	I576 S631	I576-K633 HydrophobicContact CD1-CD 3.78Å; S631-K633 PolarHBondContact O-N 3.47Å; S631-K633 PolarHBondContact OG-N 3.04Å
634	E	81.1	Confident	81.2	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.009	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-106	11.1	-179	-63.6	-55.5	146.6	0	0	113.2	I576 Y577 Y578 F579 L630 S631 P636 F873	I576-E634 WeakPolarHBondContact CG2-OE1 3.28Å; Y577-E634 PolarHBondContact N-OE1 3.37Å; Y577-E634 VanDerWaalsContact N-OE1 3.13Å; Y578-E634 WeakPolarHBondContact CA-OE1 3.04Å; Y578-E634 WeakPolarHBondContact CA-OE2 3.45Å; Y578-E634 PolarHBondContact N-OE1 2.85Å; Y578-E634 PolarHBondContact N-OE2 3.33Å; F579-E634 WeakPolarHBondContact CB-OE2 3.47Å; F579-E634 HydrophobicContact CD2-CG 4.48Å; F579-E634 WeakPolarHBondContact CD2-OE2 3.34Å; F579-E634 PolarHBondContact N-OE2 3.24Å; L630-E634 HydrophobicContact CB-CB 4.18Å; L630-E634 HydrophobicContact CD2-CB 4.3Å; S631-E634 PolarHBondContact O-N 3.08Å; E634-P636 WeakPolarHBondContact O-CD 3.21Å; E634-F873 WeakPolarHBondContact O-CE1 3.47Å
635	I	79	Confident	81.5	Confident	55 Å²	55	33.1 Å²	33.1	28%	0.282	19%	0.189	S	C	.	.			trans	-58.1	122.2	176.3	-67.3	175.4	0	0	0	108.5	Y567 I569 N580 L632 C637	Y567-I635 WeakPolarHBondContact OH-CG2 3.24Å; I569-I635 HydrophobicContact CD1-CD1 4.08Å; N580-I635 PolarHBondContact ND2-O 3.29Å; N580-I635 PolarHBondContact OD1-O 3.35Å; L632-I635 HydrophobicContact CD2-CD1 4.26Å; L632-I635 WeakPolarHBondContact O-CD1 3.25Å; L632-I635 WeakPolarHBondContact O-CG1 3.48Å; I635-C637 PolarHBondContact O-N 3.47Å
636	P	83.5	Confident	81.9	Confident	10 Å²	10	33.1 Å²	33.1	7%	0.065	19%	0.189	C	C	.	.			trans	-47.6	122.9	177.9	-28.9	33.6	0	0	0	112.5	Y567 N580 L630 E634 N638 N639 P872 F873	Y567-P636 HydrophobicContact CD1-CG 3.95Å; Y567-P636 HydrophobicContact CE1-CB 4.47Å; Y567-P636 HydrophobicContact CE1-CG 3.51Å; Y567-P636 VanDerWaalsContact CZ-CD 3.41Å; N580-P636 WeakPolarHBondContact OD1-CA 3.35Å; L630-P636 HydrophobicContact CD1-CG 4.18Å; E634-P636 WeakPolarHBondContact O-CD 3.21Å; P636-N638 VanDerWaalsContact C-N 3.26Å; P636-N638 PolarHBondContact O-N 3.14Å; P636-N639 HydrophobicContact CB-CB 3.57Å; P636-N639 HydrophobicContact CG-CB 4.34Å; P636-P872 CarbonylContact C-O 3.6Å; P636-P872 WeakPolarHBondContact CA-O 3.42Å; P636-P872 HydrophobicContact CB-CB 3.87Å; P636-P872 WeakPolarHBondContact CB-O 3.28Å; P636-P872 HydrophobicContact CG-CB 4.45Å; P636-F873 HydrophobicContact CB-CD1 4.22Å; P636-F873 HydrophobicContact CB-CE1 4.21Å; P636-F873 HydrophobicContact CB-CZ 4.47Å; P636-F873 HydrophobicContact CG-CD1 4.12Å; P636-F873 HydrophobicContact CG-CE1 3.6Å; P636-F873 HydrophobicContact CG-CE2 4.25Å; P636-F873 HydrophobicContact CG-CZ 3.68Å
637	C	82.8	Confident	82.4	Confident	48 Å²	48	32.9 Å²	32.9	32%	0.324	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-13.6	-177.5	62.3	0	0	0	0	114.6	N580 D582 I635 P872	N580-C637 HydrophobicContact CB-CB 4.45Å; N580-C637 PolarHBondContact OD1-N 3.41Å; D582-C637 WeakPolarHBondContact OD1-CB 3.27Å; D582-C637 PolarHBondContact OD1-SG 3.36Å; I635-C637 PolarHBondContact O-N 3.47Å; C637-P872 PolarHBondContact N-O 3.36Å; C637-P872 VanDerWaalsContact N-O 3.15Å
638	N	85.1	Confident	83.1	Confident	8 Å²	8	28.5 Å²	28.5	4%	0.043	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.1	54.2	-176.5	-174.3	38.7	0	0	0	112.8	P636 P872 T874 Q876 Y883	P636-N638 VanDerWaalsContact C-N 3.26Å; P636-N638 PolarHBondContact O-N 3.14Å; N638-P872 CarbonylContact C-O 3.56Å; N638-P872 WeakPolarHBondContact CA-O 3.37Å; N638-P872 PolarHBondContact N-O 3.34Å; N638-P872 WeakPolarHBondContact O-CA 3.29Å; N638-T874 VanDerWaalsContact CB-O 3.24Å; N638-T874 WeakPolarHBondContact CB-O 3.32Å; N638-T874 PolarHBondContact ND2-O 3.48Å; N638-Q876 PolarHBondContact OD1-OE1 2.87Å; N638-Q876 VanDerWaalsContact OD1-OE1 3.05Å; N638-Y883 PolarHBondContact ND2-OH 3.02Å
639	N	83.9	Confident	83.5	Confident	7 Å²	7	29 Å²	29	4%	0.037	15%	0.149	C	C	.	.			trans	-120.6	52	-178	-166.5	45.6	0	0	0	113	K564 L565 P636 R773 P872	K564-N639 WeakPolarHBondContact CD-O 3.45Å; K564-N639 WeakPolarHBondContact CE-O 3.32Å; K564-N639 WeakPolarHBondContact CG-ND2 3.3Å; K564-N639 PolarHBondContact NZ-O 3.22Å; L565-N639 PolarHBondContact N-OD1 2.85Å; L565-N639 PolarHBondContact O-ND2 3.22Å; P636-N639 HydrophobicContact CB-CB 3.57Å; P636-N639 HydrophobicContact CG-CB 4.34Å; N639-R773 PolarHBondContact OD1-NH2 2.74Å; N639-P872 HydrophobicContact CB-CB 4Å
640	D	79.6	Confident	83.9	Confident	102 Å²	102	35.4 Å²	35.4	55%	0.545	17%	0.171	S	C	.	.			trans	-64.9	163.6	172.8	-67.7	-23.8	0	0	0	111.5	L642	D640-L642 PolarHBondContact O-N 3.25Å
641	D	79.4	Confident	84.6	Confident	17 Å²	17	35.5 Å²	35.5	9%	0.091	17%	0.172	C	C	.	.			trans	-67	131.4	178.6	-66.5	-48	0	0	0	110.2	I518 N522 N562 K564 I643	I518-D641 HydrophobicContact CG2-CB 3.79Å; I518-D641 WeakPolarHBondContact CG2-OD2 3.23Å; N522-D641 PolarHBondContact ND2-OD1 3.23Å; N522-D641 PolarHBondContact ND2-OD2 3Å; N562-D641 PolarHBondContact ND2-OD1 2.93Å; K564-D641 WeakPolarHBondContact CD-OD1 3.39Å; K564-D641 IonicContact NZ-OD1 2.82Å; K564-D641 PolarHBondContact NZ-OD1 2.71Å; D641-I643 HydrophobicContact CB-CG1 4.48Å
642	L	86.2	Confident	85.1	Confident	13 Å²	13	35.2 Å²	35.2	7%	0.068	17%	0.169	C	C	.	.			trans	-125.4	77	-174.5	-165.6	62.8	0	0	0	108.9	N562 M563 D640 F757 M769 L770 R773	N562-L642 PolarHBondContact OD1-N 3.07Å; N562-L642 PolarHBondContact OD1-O 3.4Å; M563-L642 HydrophobicContact CB-CB 4.38Å; M563-L642 WeakPolarHBondContact CB-O 3.38Å; M563-L642 PolarHBondContact N-O 3.34Å; D640-L642 PolarHBondContact O-N 3.25Å; L642-F757 HydrophobicContact CD1-CD1 4.42Å; L642-F757 HydrophobicContact CD1-CE1 4.43Å; L642-M769 HydrophobicContact CD2-CB 3.94Å; L642-L770 HydrophobicContact CD1-CB 4.05Å; L642-L770 VanDerWaalsContact CD2-CA 3.45Å; L642-L770 HydrophobicContact CD2-CB 4.06Å; L642-L770 HydrophobicContact CD2-CD1 4.43Å; L642-L770 HydrophobicContact CG-CB 4.02Å; L642-L770 HydrophobicContact CG-CD1 3.96Å; L642-R773 VanDerWaalsContact CD2-CD 3.43Å
643	I	87.6	Confident	85.5	Confident	7 Å²	7	32.7 Å²	32.7	4%	0.036	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	126.4	-170.2	-57.8	163.9	0	0	0	109.4	T515 I518 L560 L561 D641 G755 A756	T515-I643 HydrophobicContact CG2-CD1 4.48Å; I518-I643 HydrophobicContact CB-CD1 4.26Å; I518-I643 HydrophobicContact CD1-CD1 3.65Å; I518-I643 HydrophobicContact CG2-CD1 3.93Å; L560-I643 HydrophobicContact CB-CG2 4.04Å; L560-I643 HydrophobicContact CD1-CD1 4.32Å; L560-I643 HydrophobicContact CD2-CG2 4.35Å; L561-I643 CarbonylContact O-C 3.5Å; L561-I643 VanDerWaalsContact O-CA 3.29Å; L561-I643 WeakPolarHBondContact O-CA 3.03Å; D641-I643 HydrophobicContact CB-CG1 4.48Å; I643-G755 CarbonylContact O-C 3.53Å; I643-G755 WeakPolarHBondContact O-CA 3.22Å; I643-A756 HydrophobicContact CB-CB 3.71Å; I643-A756 HydrophobicContact CG2-CB 3.91Å; I643-A756 PolarHBondContact O-N 2.76Å
644	A	90.1	Very high	85.2	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	129.3	165	0	0	0	0	0	108.5	Y495 L561 M563 L647 L753 I754 L770	Y495-A644 WeakPolarHBondContact CE1-O 3.49Å; Y495-A644 VanDerWaalsContact CZ-O 3.23Å; Y495-A644 PolarHBondContact OH-O 3.17Å; L561-A644 HydrophobicContact CD2-CB 4.12Å; L561-A644 PolarHBondContact O-N 3.46Å; M563-A644 HydrophobicContact CG-CB 4.49Å; A644-L647 HydrophobicContact CB-CD2 4.09Å; A644-L753 HydrophobicContact CB-CD1 4.49Å; A644-I754 CarbonylContact C-O 3.58Å; A644-I754 WeakPolarHBondContact CA-O 3.35Å; A644-L770 HydrophobicContact CB-CD1 4.24Å
645	V	90.6	Very high	84.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-19.2	172.2	-63.9	0	0	0	0	112.6	K497 L498 I501 F511 L703 I754 A756	K497-V645 HydrophobicContact CB-CB 4.29Å; K497-V645 PolarHBondContact N-O 3.28Å; L498-V645 HydrophobicContact CB-CG2 4.44Å; L498-V645 HydrophobicContact CD1-CG2 4.46Å; L498-V645 PolarHBondContact N-O 3.46Å; L498-V645 VanDerWaalsContact N-O 3.14Å; I501-V645 HydrophobicContact CD1-CG1 4.47Å; F511-V645 HydrophobicContact CE1-CG1 3.93Å; F511-V645 HydrophobicContact CE2-CG1 4.14Å; F511-V645 HydrophobicContact CZ-CG1 3.31Å; V645-L703 HydrophobicContact CG2-CD2 4.32Å; V645-I754 HydrophobicContact CG2-CB 3.81Å; V645-I754 HydrophobicContact CG2-CG2 3.54Å; V645-I754 WeakPolarHBondContact CG2-O 3.34Å; V645-I754 PolarHBondContact N-O 2.86Å; V645-A756 HydrophobicContact CG1-CB 3.82Å
646	R	90.9	Very high	84.4	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	135.1	177.7	-173.1	62.4	158	171.7	-21.2	109.6	D496 L498 S746 K747 I754	D496-R646 IonicContact OD1-CZ 3.88Å; D496-R646 IonicContact OD1-NH1 3.71Å; D496-R646 IonicContact OD2-CZ 3.52Å; D496-R646 IonicContact OD2-NH1 3.42Å; D496-R646 PolarHBondContact OD2-NH1 2.8Å; D496-R646 IonicContact OD2-NH2 3.26Å; D496-R646 PolarHBondContact OD2-NH2 3.02Å; L498-R646 HydrophobicContact CB-CB 4.35Å; L498-R646 HydrophobicContact CD2-CB 4.34Å; R646-S746 PolarHBondContact NE-OG 3.42Å; R646-K747 VanDerWaalsContact NH2-CA 3.28Å; R646-I754 HydrophobicContact CB-CB 3.81Å; R646-I754 HydrophobicContact CB-CD1 3.98Å; R646-I754 HydrophobicContact CB-CG1 3.98Å; R646-I754 HydrophobicContact CG-CD1 4.18Å; R646-I754 HydrophobicContact CG-CG1 4.46Å; R646-I754 PolarHBondContact N-O 3.34Å; R646-I754 PolarHBondContact O-N 3.22Å
647	L	91.1	Very high	83.2	Confident	13 Å²	13	42.5 Å²	42.5	7%	0.068	21%	0.208	C	C	.	.			trans	-105.6	147	168.2	-65.3	-177.7	0	0	0	110.3	I492 L561 A644 M752 L753 F778	I492-L647 HydrophobicContact CG2-CD1 4.02Å; L561-L647 HydrophobicContact CD2-CD1 3.57Å; L561-L647 HydrophobicContact CD2-CD2 3.85Å; L561-L647 HydrophobicContact CD2-CG 3.77Å; A644-L647 HydrophobicContact CB-CD2 4.09Å; L647-M752 CarbonylContact C-O 3.58Å; L647-L753 HydrophobicContact CD2-CD1 3.85Å; L647-F778 HydrophobicContact CD1-CE2 4.17Å; L647-F778 HydrophobicContact CD1-CZ 4.19Å; L647-F778 HydrophobicContact CD2-CE2 4.27Å
648	P	91.7	Very high	82.3	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.019	20%	0.202	C	C	.	.			trans	-67	136.7	170.5	28.7	-33.7	0	0	0	110	V698 W774	P648-V698 HydrophobicContact CB-CG1 4.25Å; P648-V698 HydrophobicContact CB-CG2 3.96Å; P648-V698 HydrophobicContact CG-CG1 4.05Å; P648-V698 HydrophobicContact CG-CG2 3.96Å; P648-W774 HydrophobicContact CG-CH2 4.3Å; P648-W774 HydrophobicContact CG-CZ2 3.39Å
649	K	88	Confident	81.9	Confident	88 Å²	88	50.3 Å²	50.3	38%	0.383	24%	0.239	S	C	.	.	S	Bend	trans	-96	-19	178.6	-54.7	-171.5	-176.1	177.1	0	113.4	N653 N750	K649-N653 WeakPolarHBondContact O-CB 3.37Å; K649-N653 PolarHBondContact O-ND2 2.97Å; K649-N750 HydrophobicContact CB-CB 4.03Å; K649-N750 WeakPolarHBondContact CD-OD1 3.33Å; K649-N750 PolarHBondContact N-O 2.9Å
650	R	86.8	Confident	82.1	Confident	143 Å²	143	55.5 Å²	55.5	54%	0.54	27%	0.267	S	S	.	.	S	Bend	trans	-87.9	-24.4	179.5	-75.3	-179.2	176.1	178.3	-0.9	114.1	H749 N750	R650-H749 VanDerWaalsContact CD-O 3.29Å; R650-H749 WeakPolarHBondContact CD-O 3.4Å; R650-H749 VanDerWaalsContact CZ-O 3.25Å; R650-H749 PolarHBondContact NE-O 3.22Å; R650-H749 PolarHBondContact NH1-O 3.36Å; R650-N750 HydrophobicContact CG-CB 3.9Å; R650-N750 PolarHBondContact N-O 2.94Å; R650-N750 VanDerWaalsContact N-O 3.07Å
651	T	91.5	Very high	82.8	Confident	4 Å²	4	51.1 Å²	51.1	3%	0.025	24%	0.244	C	C	.	.	S	Bend	trans	-124.1	126.6	-171.8	-54.4	0	0	0	0	109.6	N653 V664 Q696 F697 V698 W774	T651-N653 PolarHBondContact O-N 3.39Å; T651-V664 HydrophobicContact CG2-CG1 3.88Å; T651-V664 HydrophobicContact CG2-CG2 4.33Å; T651-Q696 VanDerWaalsContact CA-OE1 3.28Å; T651-Q696 HydrophobicContact CG2-CB 3.67Å; T651-F697 PolarHBondContact OG1-O 3.15Å; T651-V698 HydrophobicContact CG2-CG2 3.43Å; T651-V698 VanDerWaalsContact CG2-CG2 3.43Å; T651-W774 HydrophobicContact CG2-CH2 4.02Å; T651-W774 HydrophobicContact CG2-CZ2 4.36Å
652	C	87.8	Confident	83.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	48.9	43.9	-178.8	-45.1	0	0	0	0	113.5	P654 W774 F778 C779	C652-P654 WeakPolarHBondContact O-CD 3.33Å; C652-W774 HydrophobicContact CB-CH2 4.42Å; C652-W774 HydrophobicContact CB-CZ2 3.85Å; C652-F778 HydrophobicContact CB-CB 4.06Å; C652-F778 WeakPolarHBondContact O-CB 3.24Å; C652-C779 HydrophobicContact CB-CB 3.87Å; C652-C779 WeakPolarHBondContact CB-SG 3.47Å; C652-C779 WeakPolarHBondContact SG-CA 3.39Å; C652-C779 WeakPolarHBondContact SG-CB 3.35Å; C652-C779 CovalentContact SG-SG 2.01Å; C652-C779 PolarHBondContact SG-SG 3.24Å
653	N	82.8	Confident	84.1	Confident	29 Å²	29	52.8 Å²	52.8	16%	0.155	25%	0.253	C	S	.	.			trans	-68	124.4	179.6	-173.9	-25.6	0	0	0	109	K649 T651 C655	K649-N653 WeakPolarHBondContact O-CB 3.37Å; K649-N653 PolarHBondContact O-ND2 2.97Å; T651-N653 PolarHBondContact O-N 3.39Å; N653-C655 PolarHBondContact O-N 2.81Å; N653-C655 VanDerWaalsContact O-N 3.08Å; N653-C655 VanDerWaalsContact OD1-CB 3.26Å; N653-C655 WeakPolarHBondContact OD1-CB 3.44Å; N653-C655 PolarHBondContact OD1-N 3.29Å
654	P	69.6	Low	84.6	Confident	43 Å²	43	52.5 Å²	52.5	28%	0.279	25%	0.251	S	S	.	.	S	Bend	trans	-62.8	-16.6	178.2	21.1	-29.5	0	0	0	113.7	I492 C652 F778	I492-P654 HydrophobicContact CG2-CB 4.41Å; I492-P654 HydrophobicContact CG2-CG 3.63Å; C652-P654 WeakPolarHBondContact O-CD 3.33Å; P654-F778 HydrophobicContact CB-CD1 3.86Å; P654-F778 HydrophobicContact CB-CE1 3.91Å; P654-F778 HydrophobicContact CG-CD1 4.19Å; P654-F778 HydrophobicContact CG-CE1 4.05Å
655	C	73.7	Confident	85	Confident	55 Å²	55	52.5 Å²	52.5	37%	0.372	25%	0.251	S	S	.	.	S	Bend	trans	-107.7	-21.9	-168.1	-51.2	0	0	0	0	114.1	C493 N653	C493-C655 WeakPolarHBondContact CA-SG 3.11Å; C493-C655 HydrophobicContact CB-CB 3.77Å; C493-C655 WeakPolarHBondContact CB-SG 3.48Å; C493-C655 WeakPolarHBondContact SG-CB 3.38Å; C493-C655 CovalentContact SG-SG 1.98Å; C493-C655 PolarHBondContact SG-SG 3.46Å; N653-C655 PolarHBondContact O-N 2.81Å; N653-C655 VanDerWaalsContact O-N 3.08Å; N653-C655 VanDerWaalsContact OD1-CB 3.26Å; N653-C655 WeakPolarHBondContact OD1-CB 3.44Å; N653-C655 PolarHBondContact OD1-N 3.29Å
656	S	70.3	Confident	85.4	Confident	62 Å²	62	52.5 Å²	52.5	43%	0.434	25%	0.251	S	S	.	.	S	Bend	trans	-111.7	108.9	168.7	179.7	0	0	0	0	105.7	T658	S656-T658 PolarHBondContact O-N 2.89Å
657	R	58.3	Low	85.8	Confident	248 Å²	248	52.4 Å²	52.4	94%	0.936	25%	0.251	S	S	*	.			trans	-65.5	88.7	168.9	-79.8	-174.7	176.6	168.9	-1.2	107.3
658	T	63	Low	86	Confident	35 Å²	35	52.1 Å²	52.1	22%	0.215	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-66.8	148.3	177	32.4	0	0	0	0	109.9	S656 Q782	S656-T658 PolarHBondContact O-N 2.89Å; T658-Q782 PolarHBondContact OG1-NE2 2.95Å; T658-Q782 PolarHBondContact OG1-OE1 3.47Å
659	K	76.6	Confident	86.2	Confident	185 Å²	185	52 Å²	52	80%	0.804	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-52.4	141.5	171.7	-171.5	177.8	-179.1	179	0	109.6	V661	K659-V661 PolarHBondContact O-N 3.18Å
660	N	89.2	Confident	86.4	Confident	116 Å²	116	49.6 Å²	49.6	62%	0.62	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-50.4	135.9	172.3	-67.8	-12.4	0	0	0	110	Q782	N660-Q782 CarbonylContact C-O 3.57Å; N660-Q782 WeakPolarHBondContact CA-O 3.47Å
661	V	93.6	Very high	86.6	Confident	11 Å²	11	42.8 Å²	42.8	7%	0.067	22%	0.217	C	C	.	.			trans	-113.1	154	176.7	-63.7	0	0	0	0	110.4	K659 V664 S694 Q696 Q782 P784	K659-V661 PolarHBondContact O-N 3.18Å; V661-V664 HydrophobicContact CG2-CG2 3.76Å; V661-S694 WeakPolarHBondContact CA-OG 3.24Å; V661-Q696 HydrophobicContact CG1-CG 3.97Å; V661-Q782 PolarHBondContact N-O 3.31Å; V661-P784 WeakPolarHBondContact O-CD 3.46Å
662	N	96.2	Very high	86.4	Confident	65 Å²	65	43 Å²	43	35%	0.348	22%	0.217	S	C	.	.	S	Bend	trans	-78	-31	178.5	-57.6	117.8	0	0	0	112	F693 S694	N662-F693 HydrophobicContact CB-CD1 4.4Å; N662-F693 HydrophobicContact CB-CD2 4.04Å; N662-F693 HydrophobicContact CB-CE1 3.92Å; N662-F693 HydrophobicContact CB-CE2 3.5Å; N662-F693 VanDerWaalsContact CB-CE2 3.5Å; N662-F693 HydrophobicContact CB-CG 4.47Å; N662-F693 HydrophobicContact CB-CZ 3.43Å; N662-F693 VanDerWaalsContact CB-CZ 3.43Å; N662-S694 WeakPolarHBondContact CA-O 3.29Å; N662-S694 WeakPolarHBondContact CB-O 3.41Å; N662-S694 VanDerWaalsContact CG-OG 3.27Å; N662-S694 PolarHBondContact N-O 3.32Å; N662-S694 PolarHBondContact N-OG 3.08Å; N662-S694 PolarHBondContact OD1-N 2.93Å; N662-S694 PolarHBondContact OD1-OG 3.08Å
663	L	97.8	Very high	86.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	137.3	-176.1	-178.4	66.3	0	0	0	111.5	V665 F693 S694 V695 Q696 L785 L787 T800 I804 F858	L663-V665 HydrophobicContact CD2-CG2 3.59Å; L663-V665 HydrophobicContact CG-CG2 3.84Å; L663-F693 HydrophobicContact CB-CE1 3.8Å; L663-F693 HydrophobicContact CB-CZ 4.05Å; L663-F693 HydrophobicContact CD2-CE1 4.38Å; L663-S694 PolarHBondContact N-O 3.25Å; L663-V695 HydrophobicContact CB-CG2 4.17Å; L663-V695 HydrophobicContact CD2-CG2 4.12Å; L663-V695 HydrophobicContact CG-CG2 4.28Å; L663-V695 WeakPolarHBondContact O-CA 3.42Å; L663-Q696 PolarHBondContact O-N 3.26Å; L663-L785 HydrophobicContact CD1-CB 4.17Å; L663-L785 HydrophobicContact CD1-CD2 3.84Å; L663-L785 HydrophobicContact CD1-CG 3.85Å; L663-L787 HydrophobicContact CD1-CB 3.91Å; L663-L787 HydrophobicContact CD2-CB 4.49Å; L663-L787 HydrophobicContact CD2-CD2 4.43Å; L663-T800 HydrophobicContact CD2-CG2 4.28Å; L663-I804 HydrophobicContact CB-CD1 4.49Å; L663-I804 HydrophobicContact CD1-CD1 4.28Å; L663-I804 HydrophobicContact CD2-CD1 3.77Å; L663-I804 HydrophobicContact CG-CD1 4.41Å; L663-F858 HydrophobicContact CD1-CD1 4.4Å; L663-F858 HydrophobicContact CD1-CE1 4.11Å
664	V	97.9	Very high	86.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.3	163.2	174	0	0	0	0	108.5	T651 V661 I666 Q696 W774 S783 L785 F786 L787	T651-V664 HydrophobicContact CG2-CG1 3.88Å; T651-V664 HydrophobicContact CG2-CG2 4.33Å; V661-V664 HydrophobicContact CG2-CG2 3.76Å; V664-I666 HydrophobicContact CG1-CG1 4.26Å; V664-Q696 CarbonylContact C-O 3.55Å; V664-Q696 WeakPolarHBondContact CA-O 3.48Å; V664-W774 HydrophobicContact CG1-CH2 4.29Å; V664-S783 PolarHBondContact N-OG 3.47Å; V664-L785 PolarHBondContact N-O 3.35Å; V664-L785 VanDerWaalsContact N-O 3.17Å; V664-F786 HydrophobicContact CB-CD1 3.77Å; V664-F786 HydrophobicContact CB-CE1 3.86Å; V664-F786 HydrophobicContact CG1-CD1 4.07Å; V664-F786 HydrophobicContact CG1-CE1 4.19Å; V664-F786 HydrophobicContact CG2-CE1 4.23Å; V664-F786 VanDerWaalsContact O-CA 3.29Å; V664-F786 WeakPolarHBondContact O-CA 3.47Å; V664-L787 PolarHBondContact O-N 3.4Å
665	V	98.4	Very high	87	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123	177.9	-176.6	0	0	0	0	109.2	L663 V667 V695 Q696 F697 V698 L787 I789 L795	L663-V665 HydrophobicContact CD2-CG2 3.59Å; L663-V665 HydrophobicContact CG-CG2 3.84Å; V665-V667 HydrophobicContact CG1-CG2 4.05Å; V665-V695 HydrophobicContact CG2-CG2 3.81Å; V665-Q696 PolarHBondContact N-O 2.93Å; V665-F697 HydrophobicContact CB-CD1 3.5Å; V665-F697 HydrophobicContact CB-CE1 3.81Å; V665-F697 HydrophobicContact CB-CG 4.39Å; V665-F697 HydrophobicContact CG1-CD1 3.87Å; V665-F697 HydrophobicContact CG1-CE1 4.12Å; V665-F697 HydrophobicContact CG2-CD1 3.91Å; V665-F697 HydrophobicContact CG2-CE1 3.69Å; V665-F697 HydrophobicContact CG2-CZ 4.49Å; V665-F697 CarbonylContact O-C 3.57Å; V665-F697 WeakPolarHBondContact O-CA 3.47Å; V665-V698 PolarHBondContact O-N 2.99Å; V665-L787 CarbonylContact C-O 3.59Å; V665-L787 WeakPolarHBondContact CA-O 3.1Å; V665-L787 HydrophobicContact CG1-CD2 4.46Å; V665-L787 HydrophobicContact CG1-CG 4.43Å; V665-L787 HydrophobicContact CG2-CB 4.33Å; V665-L787 HydrophobicContact CG2-CD2 4.31Å; V665-I789 HydrophobicContact CG1-CD1 4Å; V665-I789 HydrophobicContact CG1-CG1 4.22Å; V665-L795 HydrophobicContact CG1-CD1 3.91Å; V665-L795 HydrophobicContact CG2-CD1 3.92Å
666	I	98.5	Very high	87.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	107.9	178.9	-59.7	168.2	0	0	0	107.8	V664 V698 T700 W774 A775 F786 L787 F788 I789	V664-I666 HydrophobicContact CG1-CG1 4.26Å; I666-V698 CarbonylContact C-O 3.57Å; I666-V698 WeakPolarHBondContact CA-O 3.47Å; I666-T700 HydrophobicContact CG2-CG2 3.81Å; I666-W774 HydrophobicContact CD1-CE3 4.4Å; I666-W774 HydrophobicContact CD1-CZ3 3.89Å; I666-W774 HydrophobicContact CG1-CZ3 4.02Å; I666-A775 HydrophobicContact CD1-CB 4.4Å; I666-F786 HydrophobicContact CD1-CD1 4.25Å; I666-L787 PolarHBondContact N-O 3.34Å; I666-F788 HydrophobicContact CB-CD1 4.01Å; I666-F788 HydrophobicContact CB-CE1 4.15Å; I666-F788 HydrophobicContact CB-CG 4.48Å; I666-F788 HydrophobicContact CD1-CD1 4.24Å; I666-F788 HydrophobicContact CD1-CE1 3.55Å; I666-F788 HydrophobicContact CD1-CE2 4.12Å; I666-F788 HydrophobicContact CD1-CZ 3.47Å; I666-F788 VanDerWaalsContact CD1-CZ 3.47Å; I666-F788 HydrophobicContact CG1-CE1 4.45Å; I666-F788 HydrophobicContact CG2-CD1 4.03Å; I666-F788 HydrophobicContact CG2-CE1 4.1Å; I666-F788 WeakPolarHBondContact O-CA 3.34Å; I666-I789 PolarHBondContact O-N 2.99Å
667	V	98.2	Very high	88.6	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	111.9	-178.2	-172	0	0	0	0	108.9	V665 S669 V698 F699 T700 I789 D791	V665-V667 HydrophobicContact CG1-CG2 4.05Å; V667-S669 PolarHBondContact O-N 3.41Å; V667-S669 VanDerWaalsContact O-N 3.15Å; V667-V698 PolarHBondContact N-O 2.81Å; V667-F699 HydrophobicContact CB-CD1 3.63Å; V667-F699 HydrophobicContact CB-CE1 3.9Å; V667-F699 HydrophobicContact CG1-CD1 3.79Å; V667-F699 HydrophobicContact CG1-CE1 3.78Å; V667-F699 HydrophobicContact CG2-CD1 4.35Å; V667-F699 HydrophobicContact CG2-CE1 4.26Å; V667-F699 CarbonylContact O-C 3.54Å; V667-F699 WeakPolarHBondContact O-CA 3.41Å; V667-T700 PolarHBondContact O-N 3.45Å; V667-I789 CarbonylContact C-O 3.54Å; V667-I789 WeakPolarHBondContact CA-O 3.18Å; V667-I789 HydrophobicContact CB-CG1 4.28Å; V667-I789 HydrophobicContact CG1-CG1 4.2Å; V667-I789 HydrophobicContact CG2-CD1 3.99Å; V667-I789 HydrophobicContact CG2-CG1 3.92Å; V667-D791 HydrophobicContact CG1-CB 3.96Å
668	K	97.3	Very high	89.9	Confident	6 Å²	6	34.5 Å²	34.5	3%	0.026	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	103.6	172.1	-71.2	-174.6	-76.1	150.9	0	108.4	T700 I789 D790 D791 G854 D880	K668-T700 HydrophobicContact CB-CG2 4.36Å; K668-T700 HydrophobicContact CG-CG2 3.97Å; K668-I789 PolarHBondContact N-O 2.87Å; K668-D790 WeakPolarHBondContact CE-OD1 3.41Å; K668-D790 IonicContact NZ-OD1 3.67Å; K668-D790 PolarHBondContact NZ-OD1 3.16Å; K668-D791 PolarHBondContact O-N 3.49Å; K668-D791 VanDerWaalsContact O-N 3.1Å; K668-G854 PolarHBondContact NZ-O 2.7Å; K668-D880 IonicContact NZ-OD2 3.38Å; K668-D880 PolarHBondContact NZ-OD2 3.06Å
669	S	95.7	Very high	91	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	18%	0.177	C	C	.	.			trans	-114.2	151.9	-179.4	-174.7	0	0	0	0	112.4	V667 R677 T700 K767 D791	V667-S669 PolarHBondContact O-N 3.41Å; V667-S669 VanDerWaalsContact O-N 3.15Å; S669-R677 WeakPolarHBondContact OG-CG 3.48Å; S669-R677 PolarHBondContact OG-NH1 2.86Å; S669-T700 PolarHBondContact N-O 2.89Å; S669-K767 PolarHBondContact O-NZ 2.94Å; S669-D791 WeakPolarHBondContact CA-OD2 3.31Å; S669-D791 VanDerWaalsContact CB-OD2 3.28Å; S669-D791 WeakPolarHBondContact CB-OD2 3.43Å; S669-D791 PolarHBondContact OG-OD2 3.41Å
670	C	91.3	Very high	91.8	Very high	37 Å²	37	26.1 Å²	26.1	25%	0.25	14%	0.141	C	C	.	.			trans	-83.7	149.1	174.1	94.5	0	0	0	0	112.1	Y672 C673 R677 D791	C670-Y672 PolarHBondContact O-N 3.01Å; C670-Y672 VanDerWaalsContact O-N 3.07Å; C670-C673 HydrophobicContact CB-CB 4.08Å; C670-C673 WeakPolarHBondContact CB-SG 2.94Å; C670-C673 WeakPolarHBondContact O-CB 3.27Å; C670-C673 PolarHBondContact O-N 2.81Å; C670-C673 WeakPolarHBondContact SG-CB 3.43Å; C670-C673 PolarHBondContact SG-N 2.99Å; C670-C673 CovalentContact SG-SG 2.04Å; C670-C673 PolarHBondContact SG-SG 2.5Å; C670-R677 PolarHBondContact O-NH1 2.79Å; C670-D791 PolarHBondContact N-OD2 3.18Å; C670-D791 VanDerWaalsContact N-OD2 3.08Å
671	V	92	Very high	91.9	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.7	-178.5	68.3	0	0	0	0	114.1	F674 V701 P704 I738 L742 D759	V671-F674 WeakPolarHBondContact O-CZ 3.15Å; V671-V701 HydrophobicContact CB-CG1 3.94Å; V671-V701 HydrophobicContact CG2-CG1 4.26Å; V671-P704 HydrophobicContact CG2-CG 3.72Å; V671-I738 HydrophobicContact CG2-CG2 4.12Å; V671-L742 HydrophobicContact CG2-CD2 4.07Å; V671-D759 HydrophobicContact CB-CB 3.91Å; V671-D759 WeakPolarHBondContact CB-OD2 3.16Å; V671-D759 HydrophobicContact CG1-CB 4Å; V671-D759 PolarHBondContact N-OD2 3.18Å
672	Y	86.6	Confident	91.6	Very high	8 Å²	8	28.8 Å²	28.8	3%	0.031	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-3.4	-180	-47.9	-71.2	0	0	0	114.6	C670 F674 E708 L728 S729 Y732 K735 I738	C670-Y672 PolarHBondContact O-N 3.01Å; C670-Y672 VanDerWaalsContact O-N 3.07Å; Y672-F674 WeakPolarHBondContact O-CD2 2.95Å; Y672-F674 PolarHBondContact O-N 3.38Å; Y672-E708 WeakPolarHBondContact CE2-OE2 3.39Å; Y672-E708 PolarHBondContact OH-OE2 2.92Å; Y672-L728 HydrophobicContact CG-CB 4.39Å; Y672-S729 PolarHBondContact OH-OG 3.11Å; Y672-Y732 HydrophobicContact CD1-CD2 4.08Å; Y672-Y732 HydrophobicContact CD1-CE2 4.38Å; Y672-K735 PolarHBondContact OH-NZ 3.23Å; Y672-K735 VanDerWaalsContact OH-NZ 3.09Å; Y672-I738 HydrophobicContact CD1-CD1 4.46Å; Y672-I738 HydrophobicContact CD1-CG1 4.35Å; Y672-I738 HydrophobicContact CD1-CG2 3.95Å; Y672-I738 HydrophobicContact CE1-CG1 4.14Å; Y672-I738 HydrophobicContact CE1-CG2 3.95Å
673	C	87.5	Confident	91.5	Very high	10 Å²	10	25.9 Å²	25.9	7%	0.068	13%	0.134	C	C	.	.			trans	-82.2	45.3	-171.9	-68.7	0	0	0	0	112.9	C670 E675 Q676 R677 D791	C670-C673 HydrophobicContact CB-CB 4.08Å; C670-C673 WeakPolarHBondContact CB-SG 2.94Å; C670-C673 WeakPolarHBondContact O-CB 3.27Å; C670-C673 PolarHBondContact O-N 2.81Å; C670-C673 WeakPolarHBondContact SG-CB 3.43Å; C670-C673 PolarHBondContact SG-N 2.99Å; C670-C673 CovalentContact SG-SG 2.04Å; C670-C673 PolarHBondContact SG-SG 2.5Å; C673-E675 VanDerWaalsContact C-N 3.35Å; C673-E675 PolarHBondContact O-N 2.85Å; C673-Q676 VanDerWaalsContact CA-OE1 3.24Å; C673-Q676 HydrophobicContact CB-CB 4.17Å; C673-Q676 HydrophobicContact CB-CG 4.34Å; C673-Q676 PolarHBondContact O-N 3.03Å; C673-Q676 PolarHBondContact O-OE1 3.48Å; C673-R677 WeakPolarHBondContact O-CG 3.4Å; C673-R677 PolarHBondContact O-N 2.8Å; C673-R677 VanDerWaalsContact O-N 3.09Å; C673-D791 WeakPolarHBondContact CB-OD2 3.02Å; C673-D791 PolarHBondContact SG-OD2 3.27Å; C673-D791 VanDerWaalsContact SG-OD2 3.36Å
674	F	84.4	Confident	91.4	Very high	30 Å²	30	26 Å²	26	13%	0.132	13%	0.134	C	C	.	.	H	α-helix	trans	-60.1	-42.2	-177.6	-63.2	-76.5	0	0	0	112.4	V671 Y672 R677 A678 I738 I741 L742 E745	V671-F674 WeakPolarHBondContact O-CZ 3.15Å; Y672-F674 WeakPolarHBondContact O-CD2 2.95Å; Y672-F674 PolarHBondContact O-N 3.38Å; F674-R677 PolarHBondContact O-N 2.81Å; F674-A678 WeakPolarHBondContact O-CB 3.45Å; F674-A678 PolarHBondContact O-N 2.57Å; F674-I738 HydrophobicContact CE2-CD1 4.37Å; F674-I738 HydrophobicContact CE2-CG2 4.37Å; F674-I738 HydrophobicContact CZ-CG2 4.21Å; F674-I741 HydrophobicContact CD1-CG2 4.08Å; F674-I741 HydrophobicContact CE1-CB 4.35Å; F674-I741 HydrophobicContact CE1-CG2 3.55Å; F674-I741 HydrophobicContact CE2-CG2 4.27Å; F674-I741 HydrophobicContact CZ-CB 4.13Å; F674-I741 HydrophobicContact CZ-CG2 3.66Å; F674-L742 HydrophobicContact CE1-CD1 4.39Å; F674-E745 WeakPolarHBondContact CD1-OE2 3.42Å; F674-E745 VanDerWaalsContact CE1-OE2 3.3Å; F674-E745 WeakPolarHBondContact CE1-OE2 3.42Å
675	E	80.6	Confident	91.3	Very high	119 Å²	119	27 Å²	27	56%	0.556	14%	0.139	S	C	*	.	H	α-helix	trans	-66.1	-39.1	179.8	-69.8	174.7	-161.4	0	0	111.7	C673 A678 F679 K731	C673-E675 VanDerWaalsContact C-N 3.35Å; C673-E675 PolarHBondContact O-N 2.85Å; E675-A678 PolarHBondContact O-N 2.84Å; E675-F679 VanDerWaalsContact O-CB 3.27Å; E675-F679 WeakPolarHBondContact O-CB 3.3Å; E675-F679 PolarHBondContact O-N 3.23Å; E675-K731 IonicContact OE1-NZ 2.84Å
676	Q	85.8	Confident	91	Very high	56 Å²	56	29.7 Å²	29.7	26%	0.262	15%	0.153	S	C	.	.	H	α-helix	trans	-64.4	-45.2	176.1	-68.8	72.3	10.5	0	0	110.7	C673 F679 A680	C673-Q676 VanDerWaalsContact CA-OE1 3.24Å; C673-Q676 HydrophobicContact CB-CB 4.17Å; C673-Q676 HydrophobicContact CB-CG 4.34Å; C673-Q676 PolarHBondContact O-N 3.03Å; C673-Q676 PolarHBondContact O-OE1 3.48Å; Q676-F679 PolarHBondContact O-N 2.71Å; Q676-A680 WeakPolarHBondContact O-CB 3.24Å; Q676-A680 PolarHBondContact O-N 3.02Å
677	R	92.7	Very high	90.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-41.2	176.3	-66.3	-165.6	-68.9	-82.8	4.4	112.3	S669 C670 C673 F674 A680 R681 F699 E745	S669-R677 WeakPolarHBondContact OG-CG 3.48Å; S669-R677 PolarHBondContact OG-NH1 2.86Å; C670-R677 PolarHBondContact O-NH1 2.79Å; C673-R677 WeakPolarHBondContact O-CG 3.4Å; C673-R677 PolarHBondContact O-N 2.8Å; C673-R677 VanDerWaalsContact O-N 3.09Å; F674-R677 PolarHBondContact O-N 2.81Å; R677-A680 PolarHBondContact O-N 3.08Å; R677-R681 VanDerWaalsContact O-CG 3.32Å; R677-R681 WeakPolarHBondContact O-CG 3.46Å; R677-R681 PolarHBondContact O-N 3.22Å; R677-F699 HydrophobicContact CB-CD2 4.45Å; R677-F699 HydrophobicContact CB-CE1 4.08Å; R677-F699 HydrophobicContact CB-CE2 3.98Å; R677-F699 HydrophobicContact CB-CZ 3.78Å; R677-F699 HydrophobicContact CG-CD1 3.68Å; R677-F699 HydrophobicContact CG-CD2 4.19Å; R677-F699 HydrophobicContact CG-CE1 3.62Å; R677-F699 HydrophobicContact CG-CE2 4.12Å; R677-F699 HydrophobicContact CG-CG 3.97Å; R677-F699 HydrophobicContact CG-CZ 3.83Å; R677-E745 IonicContact CZ-OE1 3.78Å; R677-E745 IonicContact CZ-OE2 2.74Å; R677-E745 VanDerWaalsContact NE-CD 3.33Å; R677-E745 IonicContact NE-OE1 2.71Å; R677-E745 PolarHBondContact NE-OE1 2.66Å; R677-E745 IonicContact NE-OE2 3.23Å; R677-E745 PolarHBondContact NE-OE2 3.02Å; R677-E745 VanDerWaalsContact NE-OE2 3.1Å; R677-E745 IonicContact NH2-OE1 3.66Å; R677-E745 IonicContact NH2-OE2 3.11Å; R677-E745 PolarHBondContact NH2-OE2 3.01Å
678	A	84.3	Confident	90.2	Very high	44 Å²	44	43.2 Å²	43.2	36%	0.364	22%	0.218	S	C	.	.	H	α-helix	trans	-61.8	-45	174.2	0	0	0	0	0	111.6	F674 E675 R681 M682	F674-A678 WeakPolarHBondContact O-CB 3.45Å; F674-A678 PolarHBondContact O-N 2.57Å; E675-A678 PolarHBondContact O-N 2.84Å; A678-R681 WeakPolarHBondContact O-CB 3.26Å; A678-R681 PolarHBondContact O-N 3.48Å; A678-M682 WeakPolarHBondContact O-CG 3.02Å; A678-M682 PolarHBondContact O-N 3.46Å
679	F	86.2	Confident	90	Very high	37 Å²	37	43.4 Å²	43.4	16%	0.162	22%	0.219	C	C	.	.	H	α-helix	trans	-63.1	-43.5	177.4	-172.5	-108.9	0	0	0	112.2	E675 Q676 R681 M682 T683 L794 R919 A922 E923	E675-F679 VanDerWaalsContact O-CB 3.27Å; E675-F679 WeakPolarHBondContact O-CB 3.3Å; E675-F679 PolarHBondContact O-N 3.23Å; Q676-F679 PolarHBondContact O-N 2.71Å; F679-R681 VanDerWaalsContact C-N 3.32Å; F679-R681 PolarHBondContact O-N 3.39Å; F679-M682 PolarHBondContact O-N 3.14Å; F679-T683 HydrophobicContact CD1-CG2 4.37Å; F679-T683 HydrophobicContact CD2-CG2 4.26Å; F679-T683 HydrophobicContact CE1-CG2 4.04Å; F679-T683 HydrophobicContact CE2-CG2 3.91Å; F679-T683 HydrophobicContact CG-CG2 4.47Å; F679-T683 HydrophobicContact CZ-CG2 3.79Å; F679-T683 WeakPolarHBondContact O-CB 3.12Å; F679-T683 WeakPolarHBondContact O-CG2 3.42Å; F679-T683 PolarHBondContact O-N 2.7Å; F679-T683 PolarHBondContact O-OG1 3.05Å; F679-L794 HydrophobicContact CD1-CD2 3.85Å; F679-L794 HydrophobicContact CE1-CD1 4.49Å; F679-L794 HydrophobicContact CE1-CD2 3.46Å; F679-L794 VanDerWaalsContact CE1-CD2 3.46Å; F679-R919 HydrophobicContact CE1-CG 4.05Å; F679-R919 HydrophobicContact CZ-CG 4.49Å; F679-A922 HydrophobicContact CE1-CB 4.43Å; F679-E923 HydrophobicContact CE2-CG 4.16Å; F679-E923 HydrophobicContact CZ-CG 3.62Å
680	A	94.2	Very high	90	Very high	6 Å²	6	43.4 Å²	43.4	5%	0.05	22%	0.219	C	C	.	.	H	α-helix	trans	-58.2	-42.9	173.9	0	0	0	0	0	112	Q676 R677 M682 T683 Y684 M685 F699	Q676-A680 WeakPolarHBondContact O-CB 3.24Å; Q676-A680 PolarHBondContact O-N 3.02Å; R677-A680 PolarHBondContact O-N 3.08Å; A680-M682 VanDerWaalsContact C-N 3.34Å; A680-M682 PolarHBondContact O-N 2.89Å; A680-T683 CarbonylContact O-C 3.54Å; A680-T683 PolarHBondContact O-N 3.42Å; A680-T683 PolarHBondContact O-OG1 3.45Å; A680-Y684 HydrophobicContact CB-CD1 4.33Å; A680-Y684 HydrophobicContact CB-CE1 3.47Å; A680-Y684 VanDerWaalsContact CB-CE1 3.47Å; A680-Y684 PolarHBondContact O-N 3.32Å; A680-M685 HydrophobicContact CB-CG 4.37Å; A680-M685 HydrophobicContact CB-SD 3.76Å; A680-M685 VanDerWaalsContact O-CB 3.29Å; A680-M685 WeakPolarHBondContact O-CB 3.38Å; A680-M685 WeakPolarHBondContact O-CG 3.39Å; A680-M685 PolarHBondContact O-N 3.21Å; A680-F699 HydrophobicContact CB-CE1 4.26Å; A680-F699 HydrophobicContact CB-CZ 3.89Å
681	R	91.7	Very high	89.9	Confident	38 Å²	38	48.4 Å²	48.4	14%	0.143	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-36.8	175.2	-72.4	179.2	-169.6	113.2	-2.9	113.5	R677 A678 F679 T683 M685 F699 E745 H749 D751	R677-R681 VanDerWaalsContact O-CG 3.32Å; R677-R681 WeakPolarHBondContact O-CG 3.46Å; R677-R681 PolarHBondContact O-N 3.22Å; A678-R681 WeakPolarHBondContact O-CB 3.26Å; A678-R681 PolarHBondContact O-N 3.48Å; F679-R681 VanDerWaalsContact C-N 3.32Å; F679-R681 PolarHBondContact O-N 3.39Å; R681-T683 VanDerWaalsContact C-N 3.34Å; R681-M685 HydrophobicContact CG-CE 4.08Å; R681-M685 HydrophobicContact CG-SD 3.91Å; R681-F699 HydrophobicContact CG-CE2 4.31Å; R681-E745 IonicContact CZ-OE1 3.67Å; R681-E745 IonicContact NH1-OE1 3.9Å; R681-E745 PolarHBondContact NH1-OE1 2.86Å; R681-E745 IonicContact NH2-OE1 3.47Å; R681-E745 PolarHBondContact NH2-OE1 3.2Å; R681-H749 VanDerWaalsContact CZ-CD2 3.43Å; R681-H749 VanDerWaalsContact NE-CG 3.34Å; R681-D751 IonicContact CZ-OD1 2.73Å; R681-D751 IonicContact CZ-OD2 3.32Å; R681-D751 IonicContact NE-OD1 3.62Å; R681-D751 IonicContact NE-OD2 2.83Å; R681-D751 PolarHBondContact NE-OD2 2.98Å; R681-D751 IonicContact NH2-OD1 3.41Å; R681-D751 PolarHBondContact NH2-OD1 3Å; R681-D751 IonicContact NH2-OD2 2.76Å; R681-D751 PolarHBondContact NH2-OD2 2.79Å
682	M	87	Confident	89.9	Confident	146 Å²	146	54.6 Å²	54.6	72%	0.719	27%	0.27	S	S	*	.	H	α-helix	trans	-79	-16.6	178	-68.7	175.6	65.4	0	0	113.8	A678 F679 A680	A678-M682 WeakPolarHBondContact O-CG 3.02Å; A678-M682 PolarHBondContact O-N 3.46Å; F679-M682 PolarHBondContact O-N 3.14Å; A680-M682 VanDerWaalsContact C-N 3.34Å; A680-M682 PolarHBondContact O-N 2.89Å
683	T	94	Very high	90.3	Very high	4 Å²	4	55 Å²	55	3%	0.025	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-110.2	-173.5	56.8	0	0	0	0	110.7	F679 A680 R681 M685 N686 L689 W928	F679-T683 HydrophobicContact CD1-CG2 4.37Å; F679-T683 HydrophobicContact CD2-CG2 4.26Å; F679-T683 HydrophobicContact CE1-CG2 4.04Å; F679-T683 HydrophobicContact CE2-CG2 3.91Å; F679-T683 HydrophobicContact CG-CG2 4.47Å; F679-T683 HydrophobicContact CZ-CG2 3.79Å; F679-T683 WeakPolarHBondContact O-CB 3.12Å; F679-T683 WeakPolarHBondContact O-CG2 3.42Å; F679-T683 PolarHBondContact O-N 2.7Å; F679-T683 PolarHBondContact O-OG1 3.05Å; A680-T683 CarbonylContact O-C 3.54Å; A680-T683 PolarHBondContact O-N 3.42Å; A680-T683 PolarHBondContact O-OG1 3.45Å; R681-T683 VanDerWaalsContact C-N 3.34Å; T683-M685 PolarHBondContact O-N 3.33Å; T683-M685 VanDerWaalsContact O-N 3.15Å; T683-N686 VanDerWaalsContact O-CB 3.29Å; T683-N686 WeakPolarHBondContact O-CB 3.38Å; T683-N686 PolarHBondContact O-N 2.73Å; T683-L689 WeakPolarHBondContact O-CD1 3.41Å; T683-W928 VanDerWaalsContact C-CE3 3.5Å; T683-W928 VanDerWaalsContact CB-CD2 3.45Å; T683-W928 HydrophobicContact CG2-CD2 3.67Å; T683-W928 HydrophobicContact CG2-CE3 4.34Å; T683-W928 HydrophobicContact CG2-CG 3.72Å; T683-W928 HydrophobicContact CG2-CZ2 4.34Å
684	Y	95.6	Very high	90.7	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.008	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-14.1	-169.3	72	-87.3	0	0	0	114.5	A680 N686 W690 F697 I789 L794 L795	A680-Y684 HydrophobicContact CB-CD1 4.33Å; A680-Y684 HydrophobicContact CB-CE1 3.47Å; A680-Y684 VanDerWaalsContact CB-CE1 3.47Å; A680-Y684 PolarHBondContact O-N 3.32Å; Y684-N686 VanDerWaalsContact C-N 3.32Å; Y684-W690 PolarHBondContact O-NE1 2.79Å; Y684-F697 HydrophobicContact CD2-CD1 4.37Å; Y684-F697 AromaticContact CD2-CE1 3.7Å; Y684-F697 HydrophobicContact CD2-CE1 3.7Å; Y684-F697 HydrophobicContact CD2-CZ 4.28Å; Y684-F697 HydrophobicContact CE2-CD1 4.03Å; Y684-F697 AromaticContact CE2-CE1 3.77Å; Y684-F697 HydrophobicContact CE2-CE1 3.77Å; Y684-F697 WeakPolarHBondContact O-CZ 3.08Å; Y684-I789 HydrophobicContact CE2-CD1 4.25Å; Y684-L794 HydrophobicContact CD1-CB 3.72Å; Y684-L794 HydrophobicContact CD1-CD2 3.83Å; Y684-L794 HydrophobicContact CD1-CG 3.86Å; Y684-L794 HydrophobicContact CE1-CB 3.98Å; Y684-L794 HydrophobicContact CE1-CD2 4.16Å; Y684-L794 HydrophobicContact CE1-CG 3.85Å; Y684-L795 WeakPolarHBondContact CB-O 3.28Å; Y684-L795 HydrophobicContact CD2-CB 3.84Å; Y684-L795 HydrophobicContact CD2-CD1 4.11Å; Y684-L795 HydrophobicContact CD2-CG 3.99Å; Y684-L795 HydrophobicContact CE2-CD1 4.24Å; Y684-L795 HydrophobicContact CE2-CG 4.18Å; Y684-L795 HydrophobicContact CG-CB 4.17Å
685	M	95	Very high	91.2	Very high	22 Å²	22	55.7 Å²	55.7	11%	0.108	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-5.1	173	-61.8	173.7	70.1	0	0	113.3	A680 R681 T683 K687 F697 F699	A680-M685 HydrophobicContact CB-CG 4.37Å; A680-M685 HydrophobicContact CB-SD 3.76Å; A680-M685 VanDerWaalsContact O-CB 3.29Å; A680-M685 WeakPolarHBondContact O-CB 3.38Å; A680-M685 WeakPolarHBondContact O-CG 3.39Å; A680-M685 PolarHBondContact O-N 3.21Å; R681-M685 HydrophobicContact CG-CE 4.08Å; R681-M685 HydrophobicContact CG-SD 3.91Å; T683-M685 PolarHBondContact O-N 3.33Å; T683-M685 VanDerWaalsContact O-N 3.15Å; M685-K687 PolarHBondContact O-N 3.22Å; M685-F697 HydrophobicContact CB-CD2 4.03Å; M685-F697 HydrophobicContact CB-CE2 4.24Å; M685-F697 HydrophobicContact CB-CG 4.22Å; M685-F697 HydrophobicContact CE-CB 3.39Å; M685-F697 HydrophobicContact CE-CG 4.05Å; M685-F697 HydrophobicContact CG-CB 4.14Å; M685-F697 HydrophobicContact CG-CD1 3.77Å; M685-F697 HydrophobicContact CG-CD2 4.05Å; M685-F697 HydrophobicContact CG-CE1 4.19Å; M685-F697 HydrophobicContact CG-CE2 4.42Å; M685-F697 HydrophobicContact CG-CG 3.72Å; M685-F697 HydrophobicContact CG-CZ 4.49Å; M685-F697 HydrophobicContact SD-CB 4.37Å; M685-F699 HydrophobicContact CE-CD2 4.38Å; M685-F699 HydrophobicContact CE-CE2 3.56Å; M685-F699 HydrophobicContact CE-CZ 3.88Å; M685-F699 HydrophobicContact SD-CE1 4.28Å; M685-F699 HydrophobicContact SD-CE2 3.66Å; M685-F699 HydrophobicContact SD-CZ 3.32Å; M685-F699 WeakPolarHBondContact SD-CZ 3.46Å
686	N	91.6	Very high	91.9	Very high	55 Å²	55	51.3 Å²	51.3	29%	0.294	26%	0.26	S	S	.	.			trans	-64.4	118.8	172.7	-177.2	-7.3	0	0	0	109.5	T683 Y684 D688 L689 W690	T683-N686 VanDerWaalsContact O-CB 3.29Å; T683-N686 WeakPolarHBondContact O-CB 3.38Å; T683-N686 PolarHBondContact O-N 2.73Å; Y684-N686 VanDerWaalsContact C-N 3.32Å; N686-D688 PolarHBondContact O-N 2.84Å; N686-D688 PolarHBondContact OD1-N 3.08Å; N686-D688 VanDerWaalsContact OD1-N 3.08Å; N686-L689 HydrophobicContact CB-CD1 4.01Å; N686-L689 HydrophobicContact CB-CG 4.08Å; N686-L689 WeakPolarHBondContact O-CB 3.41Å; N686-L689 PolarHBondContact O-N 2.82Å; N686-W690 VanDerWaalsContact O-CD1 3.27Å
687	K	88.6	Confident	92.5	Very high	152 Å²	152	49.4 Å²	49.4	66%	0.661	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-60.9	-31.6	-176.2	-69.1	-174.9	176.9	-177.8	0	113.1	M685 L689 W690	M685-K687 PolarHBondContact O-N 3.22Å; K687-L689 PolarHBondContact O-N 3.16Å; K687-W690 PolarHBondContact O-N 3.17Å
688	D	91.2	Very high	92.7	Very high	134 Å²	134	49.4 Å²	49.4	72%	0.717	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-64.3	-27	-176.5	-61	-25.8	0	0	0	111.9	N686 W690 K691	N686-D688 PolarHBondContact O-N 2.84Å; N686-D688 PolarHBondContact OD1-N 3.08Å; N686-D688 VanDerWaalsContact OD1-N 3.08Å; D688-W690 PolarHBondContact O-N 3.03Å; D688-K691 PolarHBondContact O-N 2.89Å
689	L	94.4	Very high	93.4	Very high	9 Å²	9	47.3 Å²	47.3	5%	0.047	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-71.7	-17.2	178.1	-57.2	-180	0	0	0	113.8	T683 N686 K687 P797 W928	T683-L689 WeakPolarHBondContact O-CD1 3.41Å; N686-L689 HydrophobicContact CB-CD1 4.01Å; N686-L689 HydrophobicContact CB-CG 4.08Å; N686-L689 WeakPolarHBondContact O-CB 3.41Å; N686-L689 PolarHBondContact O-N 2.82Å; K687-L689 PolarHBondContact O-N 3.16Å; L689-P797 HydrophobicContact CB-CB 4.33Å; L689-P797 HydrophobicContact CB-CG 3.94Å; L689-P797 HydrophobicContact CD1-CG 4.4Å; L689-W928 HydrophobicContact CD1-CE3 3.61Å; L689-W928 HydrophobicContact CD1-CZ3 4.07Å; L689-W928 WeakPolarHBondContact CD2-O 3.29Å
690	W	95.2	Very high	93.9	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-95.6	-1.5	-177.3	-63.6	84.7	0	0	0	113.2	Y684 N686 K687 D688 N692 F693 V695 F697 L795 P797 T800 I801	Y684-W690 PolarHBondContact O-NE1 2.79Å; N686-W690 VanDerWaalsContact O-CD1 3.27Å; K687-W690 PolarHBondContact O-N 3.17Å; D688-W690 PolarHBondContact O-N 3.03Å; W690-N692 PolarHBondContact O-N 3.19Å; W690-N692 VanDerWaalsContact O-N 3.16Å; W690-F693 AromaticContact CE3-CD1 3.67Å; W690-F693 HydrophobicContact CE3-CD1 3.67Å; W690-F693 HydrophobicContact CE3-CE1 4.21Å; W690-F693 HydrophobicContact CZ3-CD1 4.11Å; W690-F693 HydrophobicContact CZ3-CE1 4.2Å; W690-F693 VanDerWaalsContact O-CB 3.31Å; W690-F693 WeakPolarHBondContact O-CB 3.29Å; W690-F693 PolarHBondContact O-N 2.77Å; W690-V695 HydrophobicContact CB-CG1 3.95Å; W690-V695 HydrophobicContact CD2-CB 4.23Å; W690-V695 HydrophobicContact CD2-CG1 3.39Å; W690-V695 HydrophobicContact CE3-CB 4.22Å; W690-V695 HydrophobicContact CE3-CG1 3.86Å; W690-V695 HydrophobicContact CG-CG1 3.4Å; W690-V695 HydrophobicContact CZ2-CG1 4.47Å; W690-F697 AromaticContact CE2-CZ 3.7Å; W690-F697 HydrophobicContact CZ2-CE1 4.23Å; W690-F697 AromaticContact CZ2-CZ 3.6Å; W690-F697 HydrophobicContact CZ2-CZ 3.6Å; W690-F697 AromaticContact NE1-CZ 3.64Å; W690-L795 HydrophobicContact CH2-CB 4.45Å; W690-L795 HydrophobicContact CH2-CD1 4.22Å; W690-L795 HydrophobicContact CZ2-CB 4.41Å; W690-L795 HydrophobicContact CZ2-CD1 4.4Å; W690-P797 HydrophobicContact CD2-CB 4.06Å; W690-P797 HydrophobicContact CE3-CB 4.36Å; W690-P797 HydrophobicContact CH2-CB 4.49Å; W690-P797 HydrophobicContact CZ2-CB 4.17Å; W690-P797 HydrophobicContact CZ2-CG 4.29Å; W690-T800 HydrophobicContact CH2-CG2 3.9Å; W690-T800 HydrophobicContact CZ3-CG2 3.95Å; W690-I801 HydrophobicContact CE3-CD1 4.02Å; W690-I801 HydrophobicContact CE3-CG1 3.91Å; W690-I801 HydrophobicContact CZ3-CG1 4.14Å
691	K	89.9	Confident	94.1	Very high	143 Å²	143	45.3 Å²	45.3	62%	0.622	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	-119	175.1	-57.3	168.4	-178.8	163.1	0	110.8	D688 N798	D688-K691 PolarHBondContact O-N 2.89Å; K691-N798 PolarHBondContact NZ-OD1 2.78Å; K691-N798 VanDerWaalsContact NZ-OD1 3.1Å
692	N	91.6	Very high	94.2	Very high	130 Å²	130	43.5 Å²	43.5	70%	0.695	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	0.3	178.5	68	-14.3	0	0	0	114.4	W690 R805	W690-N692 PolarHBondContact O-N 3.19Å; W690-N692 VanDerWaalsContact O-N 3.16Å; N692-R805 PolarHBondContact OD1-NH2 2.88Å
693	F	95.7	Very high	94.5	Very high	17 Å²	17	36.6 Å²	36.6	8%	0.075	18%	0.182	C	C	.	.			trans	-84.3	119.1	177.5	-171.1	-92.9	0	0	0	110.2	N662 L663 W690 V695 I801 I804	N662-F693 HydrophobicContact CB-CD1 4.4Å; N662-F693 HydrophobicContact CB-CD2 4.04Å; N662-F693 HydrophobicContact CB-CE1 3.92Å; N662-F693 HydrophobicContact CB-CE2 3.5Å; N662-F693 VanDerWaalsContact CB-CE2 3.5Å; N662-F693 HydrophobicContact CB-CG 4.47Å; N662-F693 HydrophobicContact CB-CZ 3.43Å; N662-F693 VanDerWaalsContact CB-CZ 3.43Å; L663-F693 HydrophobicContact CB-CE1 3.8Å; L663-F693 HydrophobicContact CB-CZ 4.05Å; L663-F693 HydrophobicContact CD2-CE1 4.38Å; W690-F693 AromaticContact CE3-CD1 3.67Å; W690-F693 HydrophobicContact CE3-CD1 3.67Å; W690-F693 HydrophobicContact CE3-CE1 4.21Å; W690-F693 HydrophobicContact CZ3-CD1 4.11Å; W690-F693 HydrophobicContact CZ3-CE1 4.2Å; W690-F693 VanDerWaalsContact O-CB 3.31Å; W690-F693 WeakPolarHBondContact O-CB 3.29Å; W690-F693 PolarHBondContact O-N 2.77Å; F693-V695 HydrophobicContact CD1-CB 4.24Å; F693-V695 HydrophobicContact CE1-CB 4.32Å; F693-V695 PolarHBondContact O-N 2.8Å; F693-I801 HydrophobicContact CB-CD1 3.74Å; F693-I801 HydrophobicContact CB-CG1 3.84Å; F693-I801 HydrophobicContact CD1-CG1 4.03Å; F693-I801 HydrophobicContact CD2-CG1 4.11Å; F693-I801 HydrophobicContact CD2-CG2 4.22Å; F693-I801 HydrophobicContact CG-CD1 4.21Å; F693-I801 HydrophobicContact CG-CG1 3.74Å; F693-I804 HydrophobicContact CE1-CD1 4.38Å; F693-I804 HydrophobicContact CE2-CG2 4.1Å; F693-I804 HydrophobicContact CZ-CB 4.44Å; F693-I804 HydrophobicContact CZ-CD1 3.74Å; F693-I804 HydrophobicContact CZ-CG2 4.09Å
694	S	94.3	Very high	94.2	Very high	42 Å²	42	36.4 Å²	36.4	29%	0.294	18%	0.181	S	C	.	.			trans	-84.2	108.8	-176.6	58.6	0	0	0	0	111.1	V661 N662 L663	V661-S694 WeakPolarHBondContact CA-OG 3.24Å; N662-S694 WeakPolarHBondContact CA-O 3.29Å; N662-S694 WeakPolarHBondContact CB-O 3.41Å; N662-S694 VanDerWaalsContact CG-OG 3.27Å; N662-S694 PolarHBondContact N-O 3.32Å; N662-S694 PolarHBondContact N-OG 3.08Å; N662-S694 PolarHBondContact OD1-N 2.93Å; N662-S694 PolarHBondContact OD1-OG 3.08Å; L663-S694 PolarHBondContact N-O 3.25Å
695	V	96	Very high	93.5	Very high	12 Å²	12	37 Å²	37	7%	0.073	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.6	178.1	63.6	0	0	0	0	110.9	L663 V665 W690 F693 F697	L663-V695 HydrophobicContact CB-CG2 4.17Å; L663-V695 HydrophobicContact CD2-CG2 4.12Å; L663-V695 HydrophobicContact CG-CG2 4.28Å; L663-V695 WeakPolarHBondContact O-CA 3.42Å; V665-V695 HydrophobicContact CG2-CG2 3.81Å; W690-V695 HydrophobicContact CB-CG1 3.95Å; W690-V695 HydrophobicContact CD2-CB 4.23Å; W690-V695 HydrophobicContact CD2-CG1 3.39Å; W690-V695 HydrophobicContact CE3-CB 4.22Å; W690-V695 HydrophobicContact CE3-CG1 3.86Å; W690-V695 HydrophobicContact CG-CG1 3.4Å; W690-V695 HydrophobicContact CZ2-CG1 4.47Å; F693-V695 HydrophobicContact CD1-CB 4.24Å; F693-V695 HydrophobicContact CE1-CB 4.32Å; F693-V695 PolarHBondContact O-N 2.8Å; V695-F697 HydrophobicContact CB-CE2 4.34Å; V695-F697 HydrophobicContact CB-CZ 4.43Å; V695-F697 HydrophobicContact CG1-CE2 3.59Å; V695-F697 HydrophobicContact CG1-CZ 3.86Å; V695-F697 HydrophobicContact CG2-CD2 4.46Å; V695-F697 HydrophobicContact CG2-CE1 4.15Å; V695-F697 HydrophobicContact CG2-CE2 3.84Å; V695-F697 HydrophobicContact CG2-CZ 3.65Å
696	Q	95.6	Very high	92.2	Very high	28 Å²	28	38.6 Å²	38.6	13%	0.131	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	149.4	170.2	-76.5	175.8	7.9	0	0	110.1	T651 V661 L663 V664 V665	T651-Q696 VanDerWaalsContact CA-OE1 3.28Å; T651-Q696 HydrophobicContact CG2-CB 3.67Å; V661-Q696 HydrophobicContact CG1-CG 3.97Å; L663-Q696 PolarHBondContact O-N 3.26Å; V664-Q696 CarbonylContact C-O 3.55Å; V664-Q696 WeakPolarHBondContact CA-O 3.48Å; V665-Q696 PolarHBondContact N-O 2.93Å
697	F	97.1	Very high	91.1	Very high	15 Å²	15	42.7 Å²	42.7	7%	0.066	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	144.6	-176.3	-59.9	-90.1	0	0	0	110.3	T651 V665 Y684 M685 W690 V695 L795	T651-F697 PolarHBondContact OG1-O 3.15Å; V665-F697 HydrophobicContact CB-CD1 3.5Å; V665-F697 HydrophobicContact CB-CE1 3.81Å; V665-F697 HydrophobicContact CB-CG 4.39Å; V665-F697 HydrophobicContact CG1-CD1 3.87Å; V665-F697 HydrophobicContact CG1-CE1 4.12Å; V665-F697 HydrophobicContact CG2-CD1 3.91Å; V665-F697 HydrophobicContact CG2-CE1 3.69Å; V665-F697 HydrophobicContact CG2-CZ 4.49Å; V665-F697 CarbonylContact O-C 3.57Å; V665-F697 WeakPolarHBondContact O-CA 3.47Å; Y684-F697 HydrophobicContact CD2-CD1 4.37Å; Y684-F697 AromaticContact CD2-CE1 3.7Å; Y684-F697 HydrophobicContact CD2-CE1 3.7Å; Y684-F697 HydrophobicContact CD2-CZ 4.28Å; Y684-F697 HydrophobicContact CE2-CD1 4.03Å; Y684-F697 AromaticContact CE2-CE1 3.77Å; Y684-F697 HydrophobicContact CE2-CE1 3.77Å; Y684-F697 WeakPolarHBondContact O-CZ 3.08Å; M685-F697 HydrophobicContact CB-CD2 4.03Å; M685-F697 HydrophobicContact CB-CE2 4.24Å; M685-F697 HydrophobicContact CB-CG 4.22Å; M685-F697 HydrophobicContact CE-CB 3.39Å; M685-F697 HydrophobicContact CE-CG 4.05Å; M685-F697 HydrophobicContact CG-CB 4.14Å; M685-F697 HydrophobicContact CG-CD1 3.77Å; M685-F697 HydrophobicContact CG-CD2 4.05Å; M685-F697 HydrophobicContact CG-CE1 4.19Å; M685-F697 HydrophobicContact CG-CE2 4.42Å; M685-F697 HydrophobicContact CG-CG 3.72Å; M685-F697 HydrophobicContact CG-CZ 4.49Å; M685-F697 HydrophobicContact SD-CB 4.37Å; W690-F697 AromaticContact CE2-CZ 3.7Å; W690-F697 HydrophobicContact CZ2-CE1 4.23Å; W690-F697 AromaticContact CZ2-CZ 3.6Å; W690-F697 HydrophobicContact CZ2-CZ 3.6Å; W690-F697 AromaticContact NE1-CZ 3.64Å; V695-F697 HydrophobicContact CB-CE2 4.34Å; V695-F697 HydrophobicContact CB-CZ 4.43Å; V695-F697 HydrophobicContact CG1-CE2 3.59Å; V695-F697 HydrophobicContact CG1-CZ 3.86Å; V695-F697 HydrophobicContact CG2-CD2 4.46Å; V695-F697 HydrophobicContact CG2-CE1 4.15Å; V695-F697 HydrophobicContact CG2-CE2 3.84Å; V695-F697 HydrophobicContact CG2-CZ 3.65Å; F697-L795 HydrophobicContact CE1-CD1 4.24Å
698	V	97.5	Very high	90.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	130.8	173	175	0	0	0	0	109.7	P648 T651 V665 I666 V667 D751 L753 W774	P648-V698 HydrophobicContact CB-CG1 4.25Å; P648-V698 HydrophobicContact CB-CG2 3.96Å; P648-V698 HydrophobicContact CG-CG1 4.05Å; P648-V698 HydrophobicContact CG-CG2 3.96Å; T651-V698 HydrophobicContact CG2-CG2 3.43Å; T651-V698 VanDerWaalsContact CG2-CG2 3.43Å; V665-V698 PolarHBondContact O-N 2.99Å; I666-V698 CarbonylContact C-O 3.57Å; I666-V698 WeakPolarHBondContact CA-O 3.47Å; V667-V698 PolarHBondContact N-O 2.81Å; V698-D751 CarbonylContact C-O 3.49Å; V698-D751 VanDerWaalsContact CA-O 3.3Å; V698-D751 WeakPolarHBondContact CA-O 3.37Å; V698-L753 HydrophobicContact CG1-CB 3.83Å; V698-W774 HydrophobicContact CB-CH2 4.14Å; V698-W774 HydrophobicContact CG1-CH2 4.27Å; V698-W774 HydrophobicContact CG2-CH2 3.6Å; V698-W774 HydrophobicContact CG2-CZ2 4.05Å; V698-W774 HydrophobicContact CG2-CZ3 4.45Å
699	F	98.4	Very high	89.3	Confident	1 Å²	1	33.8 Å²	33.8	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	132.5	164.5	-63.9	-72.4	0	0	0	110	V667 R677 A680 R681 M685 V701 D751 M752 L753	V667-F699 HydrophobicContact CB-CD1 3.63Å; V667-F699 HydrophobicContact CB-CE1 3.9Å; V667-F699 HydrophobicContact CG1-CD1 3.79Å; V667-F699 HydrophobicContact CG1-CE1 3.78Å; V667-F699 HydrophobicContact CG2-CD1 4.35Å; V667-F699 HydrophobicContact CG2-CE1 4.26Å; V667-F699 CarbonylContact O-C 3.54Å; V667-F699 WeakPolarHBondContact O-CA 3.41Å; R677-F699 HydrophobicContact CB-CD2 4.45Å; R677-F699 HydrophobicContact CB-CE1 4.08Å; R677-F699 HydrophobicContact CB-CE2 3.98Å; R677-F699 HydrophobicContact CB-CZ 3.78Å; R677-F699 HydrophobicContact CG-CD1 3.68Å; R677-F699 HydrophobicContact CG-CD2 4.19Å; R677-F699 HydrophobicContact CG-CE1 3.62Å; R677-F699 HydrophobicContact CG-CE2 4.12Å; R677-F699 HydrophobicContact CG-CG 3.97Å; R677-F699 HydrophobicContact CG-CZ 3.83Å; A680-F699 HydrophobicContact CB-CE1 4.26Å; A680-F699 HydrophobicContact CB-CZ 3.89Å; R681-F699 HydrophobicContact CG-CE2 4.31Å; M685-F699 HydrophobicContact CE-CD2 4.38Å; M685-F699 HydrophobicContact CE-CE2 3.56Å; M685-F699 HydrophobicContact CE-CZ 3.88Å; M685-F699 HydrophobicContact SD-CE1 4.28Å; M685-F699 HydrophobicContact SD-CE2 3.66Å; M685-F699 HydrophobicContact SD-CZ 3.32Å; M685-F699 WeakPolarHBondContact SD-CZ 3.46Å; F699-V701 HydrophobicContact CB-CG2 4.36Å; F699-D751 PolarHBondContact N-O 2.9Å; F699-M752 HydrophobicContact CB-CG 4.35Å; F699-M752 CarbonylContact O-C 3.58Å; F699-M752 WeakPolarHBondContact O-CA 2.98Å; F699-L753 PolarHBondContact O-N 2.76Å
700	T	98.2	Very high	88.5	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.5	171.1	-176.1	0	0	0	0	109.7	I666 V667 K668 S669 L753 K767 S771	I666-T700 HydrophobicContact CG2-CG2 3.81Å; V667-T700 PolarHBondContact O-N 3.45Å; K668-T700 HydrophobicContact CB-CG2 4.36Å; K668-T700 HydrophobicContact CG-CG2 3.97Å; S669-T700 PolarHBondContact N-O 2.89Å; T700-L753 WeakPolarHBondContact CA-O 3.35Å; T700-K767 HydrophobicContact CG2-CD 4.02Å; T700-K767 HydrophobicContact CG2-CG 3.9Å; T700-S771 WeakPolarHBondContact CB-OG 3.37Å; T700-S771 WeakPolarHBondContact CG2-OG 3.29Å; T700-S771 PolarHBondContact OG1-OG 3.49Å
701	V	97.1	Very high	87.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	151.7	-169.8	-171	0	0	0	0	109.4	V671 F699 L742 M752 L753 I754 G755 D759	V671-V701 HydrophobicContact CB-CG1 3.94Å; V671-V701 HydrophobicContact CG2-CG1 4.26Å; F699-V701 HydrophobicContact CB-CG2 4.36Å; V701-L742 HydrophobicContact CG1-CD1 4.26Å; V701-M752 HydrophobicContact CB-CE 4.49Å; V701-M752 HydrophobicContact CG2-CE 3.73Å; V701-L753 PolarHBondContact N-O 2.91Å; V701-I754 VanDerWaalsContact O-CA 3.31Å; V701-I754 WeakPolarHBondContact O-CA 3.42Å; V701-G755 PolarHBondContact O-N 3.33Å; V701-D759 WeakPolarHBondContact CG1-OD2 3.38Å
702	G	95.1	Very high	87.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-154.7	169.1	0	0	0	0	0	112.6	D759	G702-D759 VanDerWaalsContact N-CG 3.34Å; G702-D759 PolarHBondContact N-OD2 3.36Å
703	L	93	Very high	87	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	151.2	175.8	-72.9	-179	0	0	0	111.9	L498 W508 F511 I512 V645 I754 F757 H758 D759	L498-L703 HydrophobicContact CD1-CD2 4.32Å; W508-L703 HydrophobicContact CH2-CB 3.97Å; W508-L703 HydrophobicContact CH2-CD1 4.09Å; W508-L703 HydrophobicContact CH2-CD2 3.91Å; W508-L703 HydrophobicContact CH2-CG 4.19Å; W508-L703 HydrophobicContact CZ3-CD1 4.17Å; W508-L703 HydrophobicContact CZ3-CD2 3.93Å; W508-L703 HydrophobicContact CZ3-CG 4.49Å; F511-L703 HydrophobicContact CD1-CD1 4.28Å; F511-L703 HydrophobicContact CE1-CD1 3.55Å; I512-L703 HydrophobicContact CD1-CD1 4.24Å; V645-L703 HydrophobicContact CG2-CD2 4.32Å; L703-I754 HydrophobicContact CD2-CG2 4.12Å; L703-F757 PolarHBondContact N-O 3.41Å; L703-H758 WeakPolarHBondContact O-CA 3.31Å; L703-D759 PolarHBondContact O-N 3.32Å
704	P	86.9	Confident	86.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.			trans	-53.7	142.1	175	-27	35.5	0	0	0	112.9	W508 V671 P706 K735 I738 A739 H758	W508-P704 HydrophobicContact CZ2-CB 4.48Å; V671-P704 HydrophobicContact CG2-CG 3.72Å; P704-P706 WeakPolarHBondContact O-CD 3.4Å; P704-K735 HydrophobicContact CB-CB 3.99Å; P704-K735 HydrophobicContact CB-CD 4.33Å; P704-I738 HydrophobicContact CB-CG2 4.43Å; P704-I738 HydrophobicContact CG-CB 3.94Å; P704-I738 HydrophobicContact CG-CG2 3.61Å; P704-A739 HydrophobicContact CG-CB 4.36Å; P704-H758 PolarHBondContact O-ND1 2.87Å
705	T	80.6	Confident	85.5	Confident	15 Å²	15	34.2 Å²	34.2	9%	0.092	18%	0.18	C	C	.	.			trans	-88.8	120.9	177.1	-53.7	0	0	0	0	109.6	N707 E708 K735 H758 T760	T705-N707 PolarHBondContact O-N 3.31Å; T705-E708 HydrophobicContact CG2-CB 4.19Å; T705-K735 VanDerWaalsContact O-CE 3.25Å; T705-K735 WeakPolarHBondContact O-CE 3.38Å; T705-K735 WeakPolarHBondContact O-CG 3.07Å; T705-H758 HydrophobicContact CG2-CB 4.46Å; T705-T760 HydrophobicContact CG2-CG2 4.43Å; T705-T760 WeakPolarHBondContact OG1-CG2 3.09Å
706	P	68.8	Low	84.4	Confident	55 Å²	55	35.4 Å²	35.4	36%	0.357	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-47.5	179.1	-28.4	36.4	0	0	0	113.8	P704 H758	P704-P706 WeakPolarHBondContact O-CD 3.4Å; P706-H758 VanDerWaalsContact CD-CE1 3.41Å; P706-H758 WeakPolarHBondContact CD-CE1 3.26Å
707	N	67.6	Low	83.3	Confident	142 Å²	142	34.4 Å²	34.4	76%	0.759	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121	66.8	-176.3	-62.3	-7.7	0	0	0	109.8	T705	T705-N707 PolarHBondContact O-N 3.31Å
708	E	68	Low	82.7	Confident	34 Å²	34	36.3 Å²	36.3	16%	0.159	20%	0.2	C	C	.	.			trans	-70.8	130.5	-178.4	-160.8	167.9	179.6	0	0	111.2	Y672 T705 S729	Y672-E708 WeakPolarHBondContact CE2-OE2 3.39Å; Y672-E708 PolarHBondContact OH-OE2 2.92Å; T705-E708 HydrophobicContact CG2-CB 4.19Å; E708-S729 VanDerWaalsContact OE2-CB 3.25Å; E708-S729 WeakPolarHBondContact OE2-CB 3.24Å; E708-S729 PolarHBondContact OE2-OG 3.46Å
709	T	75.2	Confident	82	Confident	65 Å²	65	36.3 Å²	36.3	40%	0.399	20%	0.2	S	C	.	.			trans	-116.6	157.2	175.7	78.6	0	0	0	0	109.5	T711 Y712	T709-T711 PolarHBondContact OG1-O 2.86Å; T709-Y712 WeakPolarHBondContact O-CE2 3.47Å; T709-Y712 PolarHBondContact O-OH 3.17Å
710	N	77.1	Confident	81.2	Confident	61 Å²	61	40 Å²	40	33%	0.326	22%	0.222	S	C	.	.	S	Bend	trans	-87.7	-25.2	166.9	60.7	-22.4	0	0	0	111.5	T720 L721 M726	N710-T720 HydrophobicContact CB-CG2 4.32Å; N710-T720 CarbonylContact O-C 3.49Å; N710-T720 VanDerWaalsContact O-CA 3.31Å; N710-T720 WeakPolarHBondContact O-CA 3.37Å; N710-L721 PolarHBondContact O-N 3.2Å; N710-M726 HydrophobicContact CB-CE 3.82Å
711	T	80.7	Confident	80.4	Confident	45 Å²	45	40.7 Å²	40.7	28%	0.276	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.3	180	-53.1	0	0	0	0	111.3	T709 M718 T719	T709-T711 PolarHBondContact OG1-O 2.86Å; T711-M718 HydrophobicContact CG2-CB 4.23Å; T711-M718 HydrophobicContact CG2-CG 4.41Å; T711-M718 HydrophobicContact CG2-SD 4.21Å; T711-T719 CarbonylContact C-O 3.47Å; T711-T719 WeakPolarHBondContact CA-O 3.07Å
712	Y	81.8	Confident	79.1	Confident	37 Å²	37	44.6 Å²	44.6	15%	0.145	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	145.4	178.6	-65.7	-105.1	0	0	0	110	T709 F714 M718 T719 L721 F762	T709-Y712 WeakPolarHBondContact O-CE2 3.47Å; T709-Y712 PolarHBondContact O-OH 3.17Å; Y712-F714 VanDerWaalsContact CB-CE2 3.46Å; Y712-F714 HydrophobicContact CD1-CZ 4.22Å; Y712-F714 HydrophobicContact CG-CE2 4.3Å; Y712-F714 HydrophobicContact CG-CZ 4.3Å; Y712-M718 CarbonylContact O-C 3.5Å; Y712-M718 VanDerWaalsContact O-CA 3.32Å; Y712-M718 WeakPolarHBondContact O-CA 3.49Å; Y712-T719 PolarHBondContact N-O 3.43Å; Y712-T719 PolarHBondContact O-N 3.07Å; Y712-L721 HydrophobicContact CD2-CD1 4.1Å; Y712-L721 HydrophobicContact CD2-CG 4.14Å; Y712-L721 HydrophobicContact CE2-CD1 3.45Å; Y712-L721 VanDerWaalsContact CE2-CD1 3.45Å; Y712-L721 HydrophobicContact CE2-CG 3.93Å; Y712-F762 AromaticContact CD1-CD2 3.63Å; Y712-F762 HydrophobicContact CD1-CD2 3.63Å; Y712-F762 HydrophobicContact CD1-CE2 4Å; Y712-F762 AromaticContact CD2-CD2 3.99Å; Y712-F762 HydrophobicContact CD2-CD2 3.99Å; Y712-F762 AromaticContact CD2-CE2 3.56Å; Y712-F762 HydrophobicContact CD2-CE2 3.56Å; Y712-F762 AromaticContact CE1-CD2 3.9Å; Y712-F762 HydrophobicContact CE1-CD2 3.9Å; Y712-F762 HydrophobicContact CE1-CE2 4.45Å; Y712-F762 HydrophobicContact CE2-CD2 4.26Å; Y712-F762 HydrophobicContact CE2-CE2 4.08Å; Y712-F762 AromaticContact CG-CD2 3.69Å; Y712-F762 HydrophobicContact CG-CD2 3.69Å; Y712-F762 AromaticContact CG-CE2 3.53Å; Y712-F762 HydrophobicContact CG-CE2 3.53Å
713	H	83.1	Confident	77.5	Confident	120 Å²	120	50.6 Å²	50.6	56%	0.556	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.3	178.4	-60.2	-101.5	0	0	0	110	F717 M718	H713-F717 WeakPolarHBondContact CA-O 3.42Å; H713-M718 PolarHBondContact CE1-SD 3.38Å; H713-M718 WeakPolarHBondContact ND1-CG 3.39Å
714	F	80.7	Confident	76.3	Confident	39 Å²	39	55.4 Å²	55.4	17%	0.171	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.6	178.5	-62.8	-65.3	0	0	0	109.8	Y712 G716 F717 T719 F762	Y712-F714 VanDerWaalsContact CB-CE2 3.46Å; Y712-F714 HydrophobicContact CD1-CZ 4.22Å; Y712-F714 HydrophobicContact CG-CE2 4.3Å; Y712-F714 HydrophobicContact CG-CZ 4.3Å; F714-G716 PolarHBondContact O-N 2.76Å; F714-F717 HydrophobicContact CB-CD1 4.37Å; F714-F717 HydrophobicContact CB-CE1 3.73Å; F714-F717 HydrophobicContact CB-CE2 4.28Å; F714-F717 HydrophobicContact CB-CZ 3.67Å; F714-F717 HydrophobicContact CD2-CE2 4.42Å; F714-F717 HydrophobicContact CD2-CZ 4.36Å; F714-F717 HydrophobicContact CG-CZ 4.45Å; F714-F717 PolarHBondContact N-O 3.21Å; F714-F717 WeakPolarHBondContact O-CD1 3.04Å; F714-F717 VanDerWaalsContact O-CE1 3.24Å; F714-F717 WeakPolarHBondContact O-CE1 3.23Å; F714-F717 WeakPolarHBondContact O-CG 3.17Å; F714-F717 PolarHBondContact O-N 3.04Å; F714-T719 HydrophobicContact CD2-CG2 3.54Å; F714-T719 HydrophobicContact CE2-CG2 3.4Å; F714-F762 HydrophobicContact CE2-CD1 4.08Å; F714-F762 AromaticContact CE2-CD2 3.77Å; F714-F762 HydrophobicContact CE2-CD2 3.77Å; F714-F762 AromaticContact CE2-CE1 3.93Å; F714-F762 HydrophobicContact CE2-CE1 3.93Å; F714-F762 AromaticContact CE2-CE2 3.6Å; F714-F762 HydrophobicContact CE2-CE2 3.6Å; F714-F762 HydrophobicContact CE2-CG 4Å; F714-F762 AromaticContact CE2-CZ 3.68Å; F714-F762 HydrophobicContact CE2-CZ 3.68Å; F714-F762 HydrophobicContact CZ-CB 4.07Å; F714-F762 AromaticContact CZ-CD1 3.98Å; F714-F762 HydrophobicContact CZ-CD1 3.98Å; F714-F762 AromaticContact CZ-CD2 3.52Å; F714-F762 HydrophobicContact CZ-CD2 3.52Å; F714-F762 HydrophobicContact CZ-CE1 4.3Å; F714-F762 AromaticContact CZ-CE2 3.87Å; F714-F762 HydrophobicContact CZ-CE2 3.87Å; F714-F762 AromaticContact CZ-CG 3.57Å; F714-F762 HydrophobicContact CZ-CG 3.57Å; F714-F762 HydrophobicContact CZ-CZ 4.25Å
715	D	78.1	Confident	75.2	Confident	48 Å²	48	57.9 Å²	57.9	26%	0.257	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.2	33.3	172	-70.6	-41.4	0	0	0	115.7	S51 S839	S51-D715 WeakPolarHBondContact CB-OD1 3.49Å; D715-S839 WeakPolarHBondContact CB-OG 3.3Å; D715-S839 VanDerWaalsContact CG-OG 3.31Å; D715-S839 PolarHBondContact OD2-OG 3.2Å
716	G	72.1	Confident	74.7	Confident	38 Å²	38	58.9 Å²	58.9	39%	0.392	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	1.8	-180	0	0	0	0	0	117.7	F714	F714-G716 PolarHBondContact O-N 2.76Å
717	F	72.7	Confident	74.9	Confident	6 Å²	6	63.6 Å²	63.6	3%	0.026	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	158.8	168.5	73.9	-87.4	0	0	0	112	H713 F714 P828 G831 A837	H713-F717 WeakPolarHBondContact CA-O 3.42Å; F714-F717 HydrophobicContact CB-CD1 4.37Å; F714-F717 HydrophobicContact CB-CE1 3.73Å; F714-F717 HydrophobicContact CB-CE2 4.28Å; F714-F717 HydrophobicContact CB-CZ 3.67Å; F714-F717 HydrophobicContact CD2-CE2 4.42Å; F714-F717 HydrophobicContact CD2-CZ 4.36Å; F714-F717 HydrophobicContact CG-CZ 4.45Å; F714-F717 PolarHBondContact N-O 3.21Å; F714-F717 WeakPolarHBondContact O-CD1 3.04Å; F714-F717 VanDerWaalsContact O-CE1 3.24Å; F714-F717 WeakPolarHBondContact O-CE1 3.23Å; F714-F717 WeakPolarHBondContact O-CG 3.17Å; F714-F717 PolarHBondContact O-N 3.04Å; F717-P828 HydrophobicContact CB-CB 3.61Å; F717-P828 HydrophobicContact CB-CG 4.21Å; F717-P828 HydrophobicContact CD1-CB 3.76Å; F717-P828 HydrophobicContact CD1-CG 3.58Å; F717-P828 HydrophobicContact CD2-CB 3.75Å; F717-P828 HydrophobicContact CD2-CG 4.43Å; F717-P828 HydrophobicContact CE1-CB 4.36Å; F717-P828 HydrophobicContact CE1-CG 4.02Å; F717-P828 HydrophobicContact CE2-CB 4.35Å; F717-P828 HydrophobicContact CG-CB 3.42Å; F717-P828 VanDerWaalsContact CG-CB 3.42Å; F717-P828 HydrophobicContact CG-CG 3.83Å; F717-G831 CarbonylContact C-O 3.57Å; F717-G831 WeakPolarHBondContact CA-O 3.28Å; F717-G831 WeakPolarHBondContact CB-O 3.37Å; F717-A837 HydrophobicContact CD2-CB 4.5Å; F717-A837 HydrophobicContact CE2-CB 3.76Å; F717-A837 HydrophobicContact CZ-CB 4.14Å; F717-A837 WeakPolarHBondContact CZ-O 3.32Å
718	M	84.9	Confident	75	Confident	55 Å²	55	58 Å²	58	27%	0.271	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	141.4	174.4	-67	-174.6	-71.1	0	0	110.6	T711 Y712 H713 G831 Y832 G833	T711-M718 HydrophobicContact CG2-CB 4.23Å; T711-M718 HydrophobicContact CG2-CG 4.41Å; T711-M718 HydrophobicContact CG2-SD 4.21Å; Y712-M718 CarbonylContact O-C 3.5Å; Y712-M718 VanDerWaalsContact O-CA 3.32Å; Y712-M718 WeakPolarHBondContact O-CA 3.49Å; H713-M718 PolarHBondContact CE1-SD 3.38Å; H713-M718 WeakPolarHBondContact ND1-CG 3.39Å; M718-G831 PolarHBondContact N-O 2.87Å; M718-Y832 HydrophobicContact CB-CD1 4.3Å; M718-Y832 HydrophobicContact CE-CD1 4.22Å; M718-Y832 HydrophobicContact CE-CE1 3.41Å; M718-Y832 VanDerWaalsContact CE-CE1 3.41Å; M718-Y832 CarbonylContact O-C 3.53Å; M718-Y832 WeakPolarHBondContact O-CA 3.49Å; M718-G833 PolarHBondContact O-N 2.75Å
719	T	82.8	Confident	75.2	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.8	170.3	-177.1	0	0	0	0	109.6	T711 Y712 F714 F762 G833 G834 R835	T711-T719 CarbonylContact C-O 3.47Å; T711-T719 WeakPolarHBondContact CA-O 3.07Å; Y712-T719 PolarHBondContact N-O 3.43Å; Y712-T719 PolarHBondContact O-N 3.07Å; F714-T719 HydrophobicContact CD2-CG2 3.54Å; F714-T719 HydrophobicContact CE2-CG2 3.4Å; T719-F762 HydrophobicContact CG2-CE1 4.43Å; T719-F762 HydrophobicContact CG2-CE2 3.87Å; T719-F762 HydrophobicContact CG2-CZ 3.49Å; T719-F762 VanDerWaalsContact CG2-CZ 3.49Å; T719-G833 WeakPolarHBondContact CA-O 3.48Å; T719-G833 WeakPolarHBondContact CB-O 3.37Å; T719-G833 PolarHBondContact OG1-O 3.41Å; T719-G834 VanDerWaalsContact OG1-C 3.26Å; T719-G834 PolarHBondContact OG1-O 2.89Å; T719-R835 WeakPolarHBondContact OG1-CA 3.3Å; T719-R835 PolarHBondContact OG1-N 3.39Å
720	T	81.6	Confident	75	Confident	77 Å²	77	59 Å²	59	47%	0.472	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.6	179.9	-51.6	0	0	0	0	108.8	N710	N710-T720 HydrophobicContact CB-CG2 4.32Å; N710-T720 CarbonylContact O-C 3.49Å; N710-T720 VanDerWaalsContact O-CA 3.31Å; N710-T720 WeakPolarHBondContact O-CA 3.37Å
721	L	80.8	Confident	74.5	Confident	16 Å²	16	61.9 Å²	61.9	8%	0.084	32%	0.322	C	S	.	.			trans	-75.8	160.2	174.2	-63.8	-177.8	0	0	0	111.3	N710 Y712 Y761 F762 R835	N710-L721 PolarHBondContact O-N 3.2Å; Y712-L721 HydrophobicContact CD2-CD1 4.1Å; Y712-L721 HydrophobicContact CD2-CG 4.14Å; Y712-L721 HydrophobicContact CE2-CD1 3.45Å; Y712-L721 VanDerWaalsContact CE2-CD1 3.45Å; Y712-L721 HydrophobicContact CE2-CG 3.93Å; L721-Y761 HydrophobicContact CD1-CG 4.41Å; L721-Y761 HydrophobicContact CD2-CD1 3.77Å; L721-Y761 HydrophobicContact CD2-CE1 4.47Å; L721-Y761 HydrophobicContact CD2-CG 4.07Å; L721-F762 HydrophobicContact CD1-CD2 4.41Å; L721-F762 HydrophobicContact CD1-CE2 3.96Å; L721-F762 HydrophobicContact CD2-CE2 3.75Å; L721-F762 HydrophobicContact CD2-CZ 3.65Å; L721-F762 HydrophobicContact CG-CE2 3.93Å; L721-F762 HydrophobicContact CG-CZ 4.31Å; L721-R835 HydrophobicContact CD2-CB 3.84Å
722	T	69.3	Low	73.6	Confident	81 Å²	81	62.1 Å²	62.1	50%	0.497	32%	0.319	S	S	.	.			trans	-64.3	152.7	178.6	58.2	0	0	0	0	112	N724	T722-N724 PolarHBondContact O-N 2.64Å; T722-N724 VanDerWaalsContact O-N 3.14Å
723	I	61	Low	72.5	Confident	126 Å²	126	67.6 Å²	67.6	65%	0.646	36%	0.356	S	S	*	.	H	α-helix	trans	-66.1	-17.7	-173.7	-60.7	168.8	0	0	0	112.4	S725 M726 R727	I723-S725 PolarHBondContact O-N 3.41Å; I723-M726 PolarHBondContact O-N 2.93Å; I723-R727 VanDerWaalsContact O-CB 3.31Å; I723-R727 WeakPolarHBondContact O-CB 3.12Å; I723-R727 PolarHBondContact O-N 2.89Å
724	N	67.6	Low	72.1	Confident	103 Å²	103	63.5 Å²	63.5	55%	0.551	34%	0.34	S	S	*	.	H	α-helix	trans	-60.5	-45.7	-175.2	-75.5	-16	0	0	0	113.6	T722 R727 L728	T722-N724 PolarHBondContact O-N 2.64Å; T722-N724 VanDerWaalsContact O-N 3.14Å; N724-R727 PolarHBondContact O-N 2.78Å; N724-L728 PolarHBondContact O-N 3.25Å
725	S	65.4	Low	72.1	Confident	51 Å²	51	63.2 Å²	63.2	36%	0.357	34%	0.339	S	S	.	.	H	α-helix	trans	-64	-44.1	178.1	-41.1	0	0	0	0	110.8	I723 R727 L728 S729	I723-S725 PolarHBondContact O-N 3.41Å; S725-R727 PolarHBondContact O-N 2.95Å; S725-L728 PolarHBondContact O-N 2.59Å; S725-S729 VanDerWaalsContact O-CB 3.28Å; S725-S729 WeakPolarHBondContact O-CB 3.21Å; S725-S729 PolarHBondContact O-N 3.44Å
726	M	69	Low	72.2	Confident	36 Å²	36	63.6 Å²	63.6	18%	0.177	34%	0.337	C	S	.	.	H	α-helix	trans	-63.2	-41.8	176.8	-176.4	61.1	77.2	0	0	111.7	N710 I723 L728 S729 N730	N710-M726 HydrophobicContact CB-CE 3.82Å; I723-M726 PolarHBondContact O-N 2.93Å; M726-L728 PolarHBondContact O-N 3.38Å; M726-S729 PolarHBondContact O-N 2.86Å; M726-N730 VanDerWaalsContact O-CB 3.27Å; M726-N730 WeakPolarHBondContact O-CB 3.34Å; M726-N730 PolarHBondContact O-N 3.48Å
727	R	72.8	Confident	72.4	Confident	154 Å²	154	63.7 Å²	63.7	58%	0.581	33%	0.332	S	S	*	.	H	α-helix	trans	-60.9	-44.4	176.8	-174.3	-178.3	68.6	87.2	0.1	111.5	I723 N724 S725 K731	I723-R727 VanDerWaalsContact O-CB 3.31Å; I723-R727 WeakPolarHBondContact O-CB 3.12Å; I723-R727 PolarHBondContact O-N 2.89Å; N724-R727 PolarHBondContact O-N 2.78Å; S725-R727 PolarHBondContact O-N 2.95Å; R727-K731 PolarHBondContact O-N 2.96Å
728	L	70.3	Confident	72.8	Confident	26 Å²	26	63.4 Å²	63.4	14%	0.136	33%	0.33	C	S	.	.	H	α-helix	trans	-67	-42.1	175.3	-70.8	175.7	0	0	0	111.6	Y672 N724 S725 M726 N730 K731 Y732	Y672-L728 HydrophobicContact CG-CB 4.39Å; N724-L728 PolarHBondContact O-N 3.25Å; S725-L728 PolarHBondContact O-N 2.59Å; M726-L728 PolarHBondContact O-N 3.38Å; L728-N730 PolarHBondContact O-N 3.28Å; L728-K731 WeakPolarHBondContact O-CB 3.46Å; L728-K731 PolarHBondContact O-N 2.74Å; L728-Y732 WeakPolarHBondContact O-CD2 3.13Å
729	S	72	Confident	72.9	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-61	-42.8	177.1	-168	0	0	0	0	112.3	Y672 E708 S725 M726 K731 Y732 K735	Y672-S729 PolarHBondContact OH-OG 3.11Å; E708-S729 VanDerWaalsContact OE2-CB 3.25Å; E708-S729 WeakPolarHBondContact OE2-CB 3.24Å; E708-S729 PolarHBondContact OE2-OG 3.46Å; S725-S729 VanDerWaalsContact O-CB 3.28Å; S725-S729 WeakPolarHBondContact O-CB 3.21Å; S725-S729 PolarHBondContact O-N 3.44Å; M726-S729 PolarHBondContact O-N 2.86Å; S729-K731 VanDerWaalsContact C-N 3.33Å; S729-K731 PolarHBondContact O-N 2.89Å; S729-Y732 PolarHBondContact O-N 3.49Å; S729-K735 PolarHBondContact O-NZ 2.84Å; S729-K735 PolarHBondContact OG-NZ 3.17Å
730	N	71.9	Confident	73	Confident	115 Å²	115	65.4 Å²	65.4	62%	0.615	34%	0.337	S	S	*	.	H	α-helix	trans	-72.3	-20.5	179.2	-73.2	-10.3	0	0	0	113.7	M726 L728 Y732	M726-N730 VanDerWaalsContact O-CB 3.27Å; M726-N730 WeakPolarHBondContact O-CB 3.34Å; M726-N730 PolarHBondContact O-N 3.48Å; L728-N730 PolarHBondContact O-N 3.28Å; N730-Y732 PolarHBondContact O-N 3.43Å; N730-Y732 VanDerWaalsContact O-N 3.16Å
731	K	65.1	Low	73.1	Confident	123 Å²	123	65.2 Å²	65.2	54%	0.535	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.9	173.3	-173.3	177.2	177.1	-178.6	0	111.8	E675 R727 L728 S729	E675-K731 IonicContact OE1-NZ 2.84Å; R727-K731 PolarHBondContact O-N 2.96Å; L728-K731 WeakPolarHBondContact O-CB 3.46Å; L728-K731 PolarHBondContact O-N 2.74Å; S729-K731 VanDerWaalsContact C-N 3.33Å; S729-K731 PolarHBondContact O-N 2.89Å
732	Y	62.1	Low	73.5	Confident	50 Å²	50	64.4 Å²	64.4	20%	0.196	33%	0.328	C	S	.	.			trans	-124.7	118.7	-172	-55.2	-77.9	0	0	0	112.2	Y672 L728 S729 N730 I738	Y672-Y732 HydrophobicContact CD1-CD2 4.08Å; Y672-Y732 HydrophobicContact CD1-CE2 4.38Å; L728-Y732 WeakPolarHBondContact O-CD2 3.13Å; S729-Y732 PolarHBondContact O-N 3.49Å; N730-Y732 PolarHBondContact O-N 3.43Å; N730-Y732 VanDerWaalsContact O-N 3.16Å; Y732-I738 VanDerWaalsContact CB-CD1 3.44Å; Y732-I738 HydrophobicContact CD1-CD1 3.26Å; Y732-I738 HydrophobicContact CD1-CG1 4.39Å; Y732-I738 HydrophobicContact CD2-CD1 3.46Å; Y732-I738 VanDerWaalsContact CD2-CD1 3.46Å; Y732-I738 HydrophobicContact CD2-CG1 4.27Å; Y732-I738 HydrophobicContact CE1-CD1 3.73Å; Y732-I738 HydrophobicContact CE2-CD1 3.92Å; Y732-I738 HydrophobicContact CG-CD1 3.09Å; Y732-I738 HydrophobicContact CG-CG1 3.89Å
733	V	60.2	Low	74.6	Confident	152 Å²	152	60.9 Å²	60.9	92%	0.921	31%	0.307	S	S	*	.	S	Bend	trans	-72.2	-37.8	-172.9	-176.4	0	0	0	0	112.9
734	S	74.3	Confident	75.8	Confident	33 Å²	33	59.4 Å²	59.4	23%	0.231	30%	0.301	C	S	.	.			trans	-112.6	129.5	-178.7	173.8	0	0	0	0	111.6	W736 S737 I738	S734-W736 VanDerWaalsContact C-N 3.33Å; S734-W736 PolarHBondContact OG-N 3.32Å; S734-S737 PolarHBondContact O-N 3.46Å; S734-S737 PolarHBondContact O-OG 2.86Å; S734-S737 PolarHBondContact OG-N 2.81Å; S734-I738 PolarHBondContact O-N 3.2Å
735	K	80.8	Confident	76.8	Confident	33 Å²	33	55.4 Å²	55.4	14%	0.143	28%	0.279	C	S	.	.	H	α-helix	trans	-73.1	-28.2	175.6	-58.4	-52.7	-176.7	-170.4	0	112.5	Y672 P704 T705 S729 I738 A739	Y672-K735 PolarHBondContact OH-NZ 3.23Å; Y672-K735 VanDerWaalsContact OH-NZ 3.09Å; P704-K735 HydrophobicContact CB-CB 3.99Å; P704-K735 HydrophobicContact CB-CD 4.33Å; T705-K735 VanDerWaalsContact O-CE 3.25Å; T705-K735 WeakPolarHBondContact O-CE 3.38Å; T705-K735 WeakPolarHBondContact O-CG 3.07Å; S729-K735 PolarHBondContact O-NZ 2.84Å; S729-K735 PolarHBondContact OG-NZ 3.17Å; K735-I738 PolarHBondContact O-N 2.94Å; K735-A739 PolarHBondContact O-N 2.91Å; K735-A739 VanDerWaalsContact O-N 3.13Å
736	W	79.8	Confident	78	Confident	57 Å²	57	53 Å²	53	22%	0.216	26%	0.262	C	S	.	.	H	α-helix	trans	-65.3	-42	171	168.9	64.9	0	0	0	111.8	T502 E505 W508 S734 I738 A739 K740	T502-W736 PolarHBondContact O-NE1 3.36Å; E505-W736 HydrophobicContact CB-CB 4.5Å; E505-W736 HydrophobicContact CB-CD2 3.85Å; E505-W736 HydrophobicContact CB-CE3 4.14Å; E505-W736 HydrophobicContact CB-CG 4Å; E505-W736 HydrophobicContact CG-CB 4.15Å; E505-W736 HydrophobicContact CG-CD2 4.41Å; E505-W736 HydrophobicContact CG-CG 4.19Å; W508-W736 VanDerWaalsContact CB-CD1 3.5Å; W508-W736 HydrophobicContact CB-CG 4.3Å; W508-W736 HydrophobicContact CG-CB 4.13Å; W508-W736 AromaticContact CG-CD1 3.83Å; W508-W736 HydrophobicContact CG-CG 4.36Å; S734-W736 VanDerWaalsContact C-N 3.33Å; S734-W736 PolarHBondContact OG-N 3.32Å; W736-I738 PolarHBondContact O-N 2.91Å; W736-A739 WeakPolarHBondContact O-CB 3.49Å; W736-A739 PolarHBondContact O-N 2.95Å; W736-A739 VanDerWaalsContact O-N 3.12Å; W736-K740 HydrophobicContact CZ2-CD 4.36Å; W736-K740 PolarHBondContact O-N 2.88Å
737	S	75.9	Confident	79	Confident	40 Å²	40	56.1 Å²	56.1	28%	0.28	27%	0.274	S	S	.	.	H	α-helix	trans	-62.5	-34.5	178.2	71.4	0	0	0	0	111.9	S734 K740 I741	S734-S737 PolarHBondContact O-N 3.46Å; S734-S737 PolarHBondContact O-OG 2.86Å; S734-S737 PolarHBondContact OG-N 2.81Å; S737-K740 WeakPolarHBondContact O-CB 3.47Å; S737-K740 PolarHBondContact O-N 2.86Å; S737-I741 WeakPolarHBondContact O-CG1 3.37Å; S737-I741 PolarHBondContact O-N 2.72Å
738	I	81.7	Confident	79.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.2	-43.9	172.5	-62.5	-61.6	0	0	0	112.3	V671 Y672 F674 P704 Y732 S734 K735 W736 K740 I741 L742	V671-I738 HydrophobicContact CG2-CG2 4.12Å; Y672-I738 HydrophobicContact CD1-CD1 4.46Å; Y672-I738 HydrophobicContact CD1-CG1 4.35Å; Y672-I738 HydrophobicContact CD1-CG2 3.95Å; Y672-I738 HydrophobicContact CE1-CG1 4.14Å; Y672-I738 HydrophobicContact CE1-CG2 3.95Å; F674-I738 HydrophobicContact CE2-CD1 4.37Å; F674-I738 HydrophobicContact CE2-CG2 4.37Å; F674-I738 HydrophobicContact CZ-CG2 4.21Å; P704-I738 HydrophobicContact CB-CG2 4.43Å; P704-I738 HydrophobicContact CG-CB 3.94Å; P704-I738 HydrophobicContact CG-CG2 3.61Å; Y732-I738 VanDerWaalsContact CB-CD1 3.44Å; Y732-I738 HydrophobicContact CD1-CD1 3.26Å; Y732-I738 HydrophobicContact CD1-CG1 4.39Å; Y732-I738 HydrophobicContact CD2-CD1 3.46Å; Y732-I738 VanDerWaalsContact CD2-CD1 3.46Å; Y732-I738 HydrophobicContact CD2-CG1 4.27Å; Y732-I738 HydrophobicContact CE1-CD1 3.73Å; Y732-I738 HydrophobicContact CE2-CD1 3.92Å; Y732-I738 HydrophobicContact CG-CD1 3.09Å; Y732-I738 HydrophobicContact CG-CG1 3.89Å; S734-I738 PolarHBondContact O-N 3.2Å; K735-I738 PolarHBondContact O-N 2.94Å; W736-I738 PolarHBondContact O-N 2.91Å; I738-K740 PolarHBondContact O-N 3.36Å; I738-I741 HydrophobicContact CD1-CD1 4.15Å; I738-I741 PolarHBondContact O-N 3.3Å; I738-L742 WeakPolarHBondContact O-CB 3.49Å; I738-L742 PolarHBondContact O-N 2.78Å
739	A	87.7	Confident	80.5	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.1	-37.8	174.4	0	0	0	0	0	111.2	T502 W508 P704 K735 W736 L742 S743	T502-A739 HydrophobicContact CG2-CB 3.78Å; T502-A739 WeakPolarHBondContact CG2-O 3.39Å; W508-A739 HydrophobicContact CD2-CB 4.21Å; W508-A739 HydrophobicContact CE3-CB 3.78Å; W508-A739 HydrophobicContact CH2-CB 3.75Å; W508-A739 HydrophobicContact CZ2-CB 4.17Å; W508-A739 HydrophobicContact CZ3-CB 3.54Å; P704-A739 HydrophobicContact CG-CB 4.36Å; K735-A739 PolarHBondContact O-N 2.91Å; K735-A739 VanDerWaalsContact O-N 3.13Å; W736-A739 WeakPolarHBondContact O-CB 3.49Å; W736-A739 PolarHBondContact O-N 2.95Å; W736-A739 VanDerWaalsContact O-N 3.12Å; A739-L742 PolarHBondContact O-N 3.47Å; A739-S743 WeakPolarHBondContact O-CB 3.31Å; A739-S743 PolarHBondContact O-N 3.36Å
740	K	83.5	Confident	81.5	Confident	98 Å²	98	58.6 Å²	58.6	43%	0.426	29%	0.294	S	S	.	.	H	α-helix	trans	-66.3	-43.6	175	-172	177	-178.9	176.9	0	112.9	W736 S737 I738 L742 S743 N744	W736-K740 HydrophobicContact CZ2-CD 4.36Å; W736-K740 PolarHBondContact O-N 2.88Å; S737-K740 WeakPolarHBondContact O-CB 3.47Å; S737-K740 PolarHBondContact O-N 2.86Å; I738-K740 PolarHBondContact O-N 3.36Å; K740-L742 VanDerWaalsContact C-N 3.35Å; K740-S743 WeakPolarHBondContact O-CB 3.47Å; K740-S743 PolarHBondContact O-N 3.18Å; K740-N744 PolarHBondContact O-N 3.23Å
741	I	83.7	Confident	82.5	Confident	72 Å²	72	53.5 Å²	53.5	37%	0.369	27%	0.267	S	S	.	.	H	α-helix	trans	-61.6	-45.4	174.8	-64.6	165	0	0	0	110.1	F674 S737 I738 S743 N744 E745	F674-I741 HydrophobicContact CD1-CG2 4.08Å; F674-I741 HydrophobicContact CE1-CB 4.35Å; F674-I741 HydrophobicContact CE1-CG2 3.55Å; F674-I741 HydrophobicContact CE2-CG2 4.27Å; F674-I741 HydrophobicContact CZ-CB 4.13Å; F674-I741 HydrophobicContact CZ-CG2 3.66Å; S737-I741 WeakPolarHBondContact O-CG1 3.37Å; S737-I741 PolarHBondContact O-N 2.72Å; I738-I741 HydrophobicContact CD1-CD1 4.15Å; I738-I741 PolarHBondContact O-N 3.3Å; I741-S743 VanDerWaalsContact C-N 3.34Å; I741-S743 PolarHBondContact O-N 2.72Å; I741-N744 PolarHBondContact O-N 3.28Å; I741-E745 PolarHBondContact O-N 3.31Å
742	L	90.2	Very high	84	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.3	-42.1	175.9	-173.8	72.6	0	0	0	112	V671 F674 V701 I738 A739 K740 E745 S746 M752 I754	V671-L742 HydrophobicContact CG2-CD2 4.07Å; F674-L742 HydrophobicContact CE1-CD1 4.39Å; V701-L742 HydrophobicContact CG1-CD1 4.26Å; I738-L742 WeakPolarHBondContact O-CB 3.49Å; I738-L742 PolarHBondContact O-N 2.78Å; A739-L742 PolarHBondContact O-N 3.47Å; K740-L742 VanDerWaalsContact C-N 3.35Å; L742-E745 PolarHBondContact O-N 3.15Å; L742-S746 VanDerWaalsContact O-CB 3.31Å; L742-S746 WeakPolarHBondContact O-CB 3.22Å; L742-S746 PolarHBondContact O-N 3.06Å; L742-S746 PolarHBondContact O-OG 3.13Å; L742-M752 HydrophobicContact CD1-CE 3.5Å; L742-M752 VanDerWaalsContact CD1-CE 3.5Å; L742-M752 HydrophobicContact CD1-SD 4.43Å; L742-I754 HydrophobicContact CD1-CD1 4.34Å; L742-I754 HydrophobicContact CD2-CD1 3.92Å; L742-I754 HydrophobicContact CD2-CG2 4.19Å; L742-I754 HydrophobicContact CG-CD1 3.86Å
743	S	91.2	Very high	85.6	Confident	6 Å²	6	45.3 Å²	45.3	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-57.6	-50.4	175	-172.7	0	0	0	0	111.2	T502 A739 K740 I741 S746 K747	T502-S743 WeakPolarHBondContact OG1-CB 3.38Å; T502-S743 PolarHBondContact OG1-OG 3.09Å; A739-S743 WeakPolarHBondContact O-CB 3.31Å; A739-S743 PolarHBondContact O-N 3.36Å; K740-S743 WeakPolarHBondContact O-CB 3.47Å; K740-S743 PolarHBondContact O-N 3.18Å; I741-S743 VanDerWaalsContact C-N 3.34Å; I741-S743 PolarHBondContact O-N 2.72Å; S743-S746 PolarHBondContact O-N 2.93Å; S743-S746 PolarHBondContact O-OG 2.89Å; S743-K747 WeakPolarHBondContact O-CB 3.1Å; S743-K747 PolarHBondContact O-N 2.91Å
744	N	86.5	Confident	87.3	Confident	96 Å²	96	38 Å²	38	51%	0.513	19%	0.188	S	C	.	.	H	α-helix	trans	-61.3	-47.6	177.2	-72.9	-13.9	0	0	0	112.6	K740 I741 S746 K747 M748	K740-N744 PolarHBondContact O-N 3.23Å; I741-N744 PolarHBondContact O-N 3.28Å; N744-S746 PolarHBondContact O-N 2.73Å; N744-K747 PolarHBondContact O-N 2.82Å; N744-M748 WeakPolarHBondContact O-CB 3.46Å; N744-M748 PolarHBondContact O-N 3.5Å
745	E	87.9	Confident	88.3	Confident	19 Å²	19	36.5 Å²	36.5	9%	0.089	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-49.7	176.9	-176.1	-166.1	177.4	0	0	111	F674 R677 R681 I741 L742 K747 M748 H749 M752	F674-E745 WeakPolarHBondContact CD1-OE2 3.42Å; F674-E745 VanDerWaalsContact CE1-OE2 3.3Å; F674-E745 WeakPolarHBondContact CE1-OE2 3.42Å; R677-E745 IonicContact CZ-OE1 3.78Å; R677-E745 IonicContact CZ-OE2 2.74Å; R677-E745 VanDerWaalsContact NE-CD 3.33Å; R677-E745 IonicContact NE-OE1 2.71Å; R677-E745 PolarHBondContact NE-OE1 2.66Å; R677-E745 IonicContact NE-OE2 3.23Å; R677-E745 PolarHBondContact NE-OE2 3.02Å; R677-E745 VanDerWaalsContact NE-OE2 3.1Å; R677-E745 IonicContact NH2-OE1 3.66Å; R677-E745 IonicContact NH2-OE2 3.11Å; R677-E745 PolarHBondContact NH2-OE2 3.01Å; R681-E745 IonicContact CZ-OE1 3.67Å; R681-E745 IonicContact NH1-OE1 3.9Å; R681-E745 PolarHBondContact NH1-OE1 2.86Å; R681-E745 IonicContact NH2-OE1 3.47Å; R681-E745 PolarHBondContact NH2-OE1 3.2Å; I741-E745 PolarHBondContact O-N 3.31Å; L742-E745 PolarHBondContact O-N 3.15Å; E745-K747 PolarHBondContact O-N 3.2Å; E745-M748 PolarHBondContact O-N 3.24Å; E745-H749 PolarHBondContact O-CD2 3.45Å; E745-H749 PolarHBondContact O-N 3.34Å; E745-M752 HydrophobicContact CB-SD 4.43Å; E745-M752 HydrophobicContact CG-SD 4.04Å
746	S	92.5	Very high	88.7	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-35.4	-179	81.1	0	0	0	0	112.2	R646 L742 S743 N744 N750 M752	R646-S746 PolarHBondContact NE-OG 3.42Å; L742-S746 VanDerWaalsContact O-CB 3.31Å; L742-S746 WeakPolarHBondContact O-CB 3.22Å; L742-S746 PolarHBondContact O-N 3.06Å; L742-S746 PolarHBondContact O-OG 3.13Å; S743-S746 PolarHBondContact O-N 2.93Å; S743-S746 PolarHBondContact O-OG 2.89Å; N744-S746 PolarHBondContact O-N 2.73Å; S746-N750 VanDerWaalsContact O-CA 3.3Å; S746-N750 WeakPolarHBondContact O-CA 3.26Å; S746-N750 PolarHBondContact O-N 3.45Å; S746-M752 VanDerWaalsContact CA-SD 3.56Å
747	K	88.1	Confident	89.3	Confident	101 Å²	101	34.4 Å²	34.4	44%	0.439	17%	0.173	S	C	.	.	H	α-helix	trans	-72.3	-40.6	177.1	-172.5	174.1	-177.3	172.1	0	112	E499 R646 S743 N744 E745 N750	E499-K747 IonicContact OE1-NZ 3.69Å; E499-K747 PolarHBondContact OE1-NZ 2.75Å; E499-K747 IonicContact OE2-NZ 2.75Å; R646-K747 VanDerWaalsContact NH2-CA 3.28Å; S743-K747 WeakPolarHBondContact O-CB 3.1Å; S743-K747 PolarHBondContact O-N 2.91Å; N744-K747 PolarHBondContact O-N 2.82Å; E745-K747 PolarHBondContact O-N 3.2Å; K747-N750 PolarHBondContact O-ND2 2.93Å
748	M	86.6	Confident	89.9	Confident	143 Å²	143	34.8 Å²	34.8	70%	0.704	17%	0.171	S	C	*	.	H	α-helix	trans	-65.9	-45.8	178.8	-172.7	177.7	-171	0	0	111.6	N744 E745	N744-M748 WeakPolarHBondContact O-CB 3.46Å; N744-M748 PolarHBondContact O-N 3.5Å; E745-M748 PolarHBondContact O-N 3.24Å
749	H	89.2	Confident	90.4	Very high	52 Å²	52	35.3 Å²	35.3	24%	0.241	17%	0.173	C	C	.	.	H	α-helix	trans	-98.1	-21.6	-171.8	-63.5	-69.9	0	0	0	114.6	R650 R681 E745 D751	R650-H749 VanDerWaalsContact CD-O 3.29Å; R650-H749 WeakPolarHBondContact CD-O 3.4Å; R650-H749 VanDerWaalsContact CZ-O 3.25Å; R650-H749 PolarHBondContact NE-O 3.22Å; R650-H749 PolarHBondContact NH1-O 3.36Å; R681-H749 VanDerWaalsContact CZ-CD2 3.43Å; R681-H749 VanDerWaalsContact NE-CG 3.34Å; E745-H749 PolarHBondContact O-CD2 3.45Å; E745-H749 PolarHBondContact O-N 3.34Å; H749-D751 VanDerWaalsContact CB-OD1 3.23Å; H749-D751 WeakPolarHBondContact CB-OD1 3.42Å; H749-D751 PolarHBondContact O-N 2.83Å
750	N	91.7	Very high	90.4	Very high	39 Å²	39	36 Å²	36	21%	0.209	18%	0.177	C	C	.	.			trans	56.6	27.1	177.8	-72.2	-61.1	0	0	0	114.8	K649 R650 S746 K747	K649-N750 HydrophobicContact CB-CB 4.03Å; K649-N750 WeakPolarHBondContact CD-OD1 3.33Å; K649-N750 PolarHBondContact N-O 2.9Å; R650-N750 HydrophobicContact CG-CB 3.9Å; R650-N750 PolarHBondContact N-O 2.94Å; R650-N750 VanDerWaalsContact N-O 3.07Å; S746-N750 VanDerWaalsContact O-CA 3.3Å; S746-N750 WeakPolarHBondContact O-CA 3.26Å; S746-N750 PolarHBondContact O-N 3.45Å; K747-N750 PolarHBondContact O-ND2 2.93Å
751	D	94.2	Very high	90.6	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.043	17%	0.169	C	C	.	.			trans	-122.8	22.7	-171.9	63.3	-2.9	0	0	0	113.2	R681 V698 F699 H749	R681-D751 IonicContact CZ-OD1 2.73Å; R681-D751 IonicContact CZ-OD2 3.32Å; R681-D751 IonicContact NE-OD1 3.62Å; R681-D751 IonicContact NE-OD2 2.83Å; R681-D751 PolarHBondContact NE-OD2 2.98Å; R681-D751 IonicContact NH2-OD1 3.41Å; R681-D751 PolarHBondContact NH2-OD1 3Å; R681-D751 IonicContact NH2-OD2 2.76Å; R681-D751 PolarHBondContact NH2-OD2 2.79Å; V698-D751 CarbonylContact C-O 3.49Å; V698-D751 VanDerWaalsContact CA-O 3.3Å; V698-D751 WeakPolarHBondContact CA-O 3.37Å; F699-D751 PolarHBondContact N-O 2.9Å; H749-D751 VanDerWaalsContact CB-OD1 3.23Å; H749-D751 WeakPolarHBondContact CB-OD1 3.42Å; H749-D751 PolarHBondContact O-N 2.83Å
752	M	95.7	Very high	90.9	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.5	-174	-52.5	-174.7	74.1	0	0	112.8	L647 F699 V701 L742 E745 S746 I754	L647-M752 CarbonylContact C-O 3.58Å; F699-M752 HydrophobicContact CB-CG 4.35Å; F699-M752 CarbonylContact O-C 3.58Å; F699-M752 WeakPolarHBondContact O-CA 2.98Å; V701-M752 HydrophobicContact CB-CE 4.49Å; V701-M752 HydrophobicContact CG2-CE 3.73Å; L742-M752 HydrophobicContact CD1-CE 3.5Å; L742-M752 VanDerWaalsContact CD1-CE 3.5Å; L742-M752 HydrophobicContact CD1-SD 4.43Å; E745-M752 HydrophobicContact CB-SD 4.43Å; E745-M752 HydrophobicContact CG-SD 4.04Å; S746-M752 VanDerWaalsContact CA-SD 3.56Å; M752-I754 HydrophobicContact CB-CD1 4.17Å; M752-I754 HydrophobicContact CB-CG1 4.11Å; M752-I754 HydrophobicContact CE-CD1 4.47Å
753	L	96.2	Very high	91	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.3	164.2	175.9	64.6	0	0	0	108.1	A644 L647 V698 F699 T700 V701 L770 W774	A644-L753 HydrophobicContact CB-CD1 4.49Å; L647-L753 HydrophobicContact CD2-CD1 3.85Å; V698-L753 HydrophobicContact CG1-CB 3.83Å; F699-L753 PolarHBondContact O-N 2.76Å; T700-L753 WeakPolarHBondContact CA-O 3.35Å; V701-L753 PolarHBondContact N-O 2.91Å; L753-L770 HydrophobicContact CD1-CD2 4.42Å; L753-L770 HydrophobicContact CD1-CG 4.49Å; L753-L770 HydrophobicContact CD2-CD2 4.31Å; L753-L770 HydrophobicContact CD2-CG 4.09Å; L753-L770 HydrophobicContact CG-CD2 4.05Å; L753-L770 HydrophobicContact CG-CG 4.28Å; L753-W774 HydrophobicContact CD1-CB 4.2Å; L753-W774 HydrophobicContact CD1-CG 3.92Å; L753-W774 HydrophobicContact CD2-CB 3.67Å; L753-W774 HydrophobicContact CD2-CD2 3.8Å; L753-W774 HydrophobicContact CD2-CE3 3.93Å; L753-W774 HydrophobicContact CD2-CG 3.67Å; L753-W774 HydrophobicContact CG-CG 4.41Å
754	I	95.8	Very high	91.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	122.9	-175.6	-52.9	172.4	0	0	0	109.9	L498 A644 V645 R646 V701 L703 L742 M752	L498-I754 HydrophobicContact CD2-CD1 3.38Å; A644-I754 CarbonylContact C-O 3.58Å; A644-I754 WeakPolarHBondContact CA-O 3.35Å; V645-I754 HydrophobicContact CG2-CB 3.81Å; V645-I754 HydrophobicContact CG2-CG2 3.54Å; V645-I754 WeakPolarHBondContact CG2-O 3.34Å; V645-I754 PolarHBondContact N-O 2.86Å; R646-I754 HydrophobicContact CB-CB 3.81Å; R646-I754 HydrophobicContact CB-CD1 3.98Å; R646-I754 HydrophobicContact CB-CG1 3.98Å; R646-I754 HydrophobicContact CG-CD1 4.18Å; R646-I754 HydrophobicContact CG-CG1 4.46Å; R646-I754 PolarHBondContact N-O 3.34Å; R646-I754 PolarHBondContact O-N 3.22Å; V701-I754 VanDerWaalsContact O-CA 3.31Å; V701-I754 WeakPolarHBondContact O-CA 3.42Å; L703-I754 HydrophobicContact CD2-CG2 4.12Å; L742-I754 HydrophobicContact CD1-CD1 4.34Å; L742-I754 HydrophobicContact CD2-CD1 3.92Å; L742-I754 HydrophobicContact CD2-CG2 4.19Å; L742-I754 HydrophobicContact CG-CD1 3.86Å; M752-I754 HydrophobicContact CB-CD1 4.17Å; M752-I754 HydrophobicContact CB-CG1 4.11Å; M752-I754 HydrophobicContact CE-CD1 4.47Å
755	G	94.5	Very high	91.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	149.2	180	0	0	0	0	0	113.7	I643 V701 F757	I643-G755 CarbonylContact O-C 3.53Å; I643-G755 WeakPolarHBondContact O-CA 3.22Å; V701-G755 PolarHBondContact O-N 3.33Å; G755-F757 PolarHBondContact O-N 2.82Å
756	A	91.1	Very high	92	Very high	18 Å²	18	30.3 Å²	30.3	15%	0.149	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	44.3	178.4	0	0	0	0	0	113.6	F511 T515 I643 V645	F511-A756 HydrophobicContact CE1-CB 4.3Å; F511-A756 HydrophobicContact CZ-CB 3.87Å; T515-A756 HydrophobicContact CG2-CB 3.87Å; I643-A756 HydrophobicContact CB-CB 3.71Å; I643-A756 HydrophobicContact CG2-CB 3.91Å; I643-A756 PolarHBondContact O-N 2.76Å; V645-A756 HydrophobicContact CG1-CB 3.82Å
757	F	90.5	Very high	92.2	Very high	28 Å²	28	30.5 Å²	30.5	12%	0.123	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	154	174.4	50.1	-102.6	0	0	0	109.7	L642 L703 G755 D759 K767 L770	L642-F757 HydrophobicContact CD1-CD1 4.42Å; L642-F757 HydrophobicContact CD1-CE1 4.43Å; L703-F757 PolarHBondContact N-O 3.41Å; G755-F757 PolarHBondContact O-N 2.82Å; F757-D759 PolarHBondContact O-N 3.32Å; F757-K767 HydrophobicContact CE2-CB 3.84Å; F757-K767 HydrophobicContact CE2-CG 4.35Å; F757-K767 VanDerWaalsContact CZ-CA 3.43Å; F757-K767 HydrophobicContact CZ-CB 3.66Å; F757-K767 HydrophobicContact CZ-CG 4.06Å; F757-L770 HydrophobicContact CE1-CB 4.18Å; F757-L770 HydrophobicContact CE1-CD2 3.86Å; F757-L770 HydrophobicContact CZ-CD2 4.21Å
758	H	89.8	Confident	92.6	Very high	48 Å²	48	25.7 Å²	25.7	22%	0.222	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	127.7	175.5	-67.4	-48.5	0	0	0	110.3	L703 P704 T705 P706 T760 N763	L703-H758 WeakPolarHBondContact O-CA 3.31Å; P704-H758 PolarHBondContact O-ND1 2.87Å; T705-H758 HydrophobicContact CG2-CB 4.46Å; P706-H758 VanDerWaalsContact CD-CE1 3.41Å; P706-H758 WeakPolarHBondContact CD-CE1 3.26Å; H758-T760 VanDerWaalsContact C-N 3.31Å; H758-T760 HydrophobicContact CB-CG2 4.29Å; H758-T760 PolarHBondContact O-N 3.5Å; H758-N763 WeakPolarHBondContact O-CB 3.29Å; H758-N763 PolarHBondContact O-ND2 2.81Å
759	D	91.4	Very high	93.1	Very high	11 Å²	11	19.3 Å²	19.3	6%	0.059	10%	0.098	C	C	.	.			trans	-81.4	77	-175.7	-160	7.3	0	0	0	111.7	V671 V701 G702 L703 F757 K767	V671-D759 HydrophobicContact CB-CB 3.91Å; V671-D759 WeakPolarHBondContact CB-OD2 3.16Å; V671-D759 HydrophobicContact CG1-CB 4Å; V671-D759 PolarHBondContact N-OD2 3.18Å; V701-D759 WeakPolarHBondContact CG1-OD2 3.38Å; G702-D759 VanDerWaalsContact N-CG 3.34Å; G702-D759 PolarHBondContact N-OD2 3.36Å; L703-D759 PolarHBondContact O-N 3.32Å; F757-D759 PolarHBondContact O-N 3.32Å; D759-K767 WeakPolarHBondContact OD1-CE 3.34Å; D759-K767 IonicContact OD1-NZ 3.73Å; D759-K767 PolarHBondContact OD1-NZ 3.44Å; D759-K767 IonicContact OD2-NZ 3.04Å; D759-K767 PolarHBondContact OD2-NZ 3.42Å
760	T	88.6	Confident	93.4	Very high	14 Å²	14	16.9 Å²	16.9	9%	0.086	9%	0.086	C	C	.	.			trans	-115.7	159.3	179.2	67.8	0	0	0	0	110.9	T705 H758 F762 N763	T705-T760 HydrophobicContact CG2-CG2 4.43Å; T705-T760 WeakPolarHBondContact OG1-CG2 3.09Å; H758-T760 VanDerWaalsContact C-N 3.31Å; H758-T760 HydrophobicContact CB-CG2 4.29Å; H758-T760 PolarHBondContact O-N 3.5Å; T760-F762 PolarHBondContact O-N 3.12Å; T760-N763 PolarHBondContact O-N 3.48Å; T760-N763 PolarHBondContact OG1-N 3.04Å; T760-N763 PolarHBondContact OG1-ND2 3.47Å
761	Y	87.8	Confident	93.7	Very high	66 Å²	66	15 Å²	15	26%	0.259	8%	0.077	S	C	.	.	G	3₁₀ helix	trans	-53.8	-37.5	176.6	-175	-99.6	0	0	0	112.7	L721 N763 L764 R835 W836	L721-Y761 HydrophobicContact CD1-CG 4.41Å; L721-Y761 HydrophobicContact CD2-CD1 3.77Å; L721-Y761 HydrophobicContact CD2-CE1 4.47Å; L721-Y761 HydrophobicContact CD2-CG 4.07Å; Y761-N763 VanDerWaalsContact C-N 3.3Å; Y761-N763 PolarHBondContact O-N 3.28Å; Y761-L764 HydrophobicContact CD2-CD1 3.83Å; Y761-L764 HydrophobicContact CE2-CD1 3.85Å; Y761-L764 HydrophobicContact CG-CD1 4.4Å; Y761-L764 VanDerWaalsContact O-CD1 3.3Å; Y761-L764 WeakPolarHBondContact O-CD1 3.37Å; Y761-L764 WeakPolarHBondContact O-CG 3.26Å; Y761-L764 PolarHBondContact O-N 2.87Å; Y761-R835 HydrophobicContact CE1-CB 4.1Å; Y761-R835 HydrophobicContact CE1-CG 4.42Å; Y761-W836 PolarHBondContact OH-NE1 2.89Å
762	F	90.4	Very high	93.8	Very high	13 Å²	13	14.6 Å²	14.6	6%	0.057	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-83.8	-1.8	-178.9	-60.4	-62.5	0	0	0	114.4	Y712 F714 T719 L721 T760 R835 R878	Y712-F762 AromaticContact CD1-CD2 3.63Å; Y712-F762 HydrophobicContact CD1-CD2 3.63Å; Y712-F762 HydrophobicContact CD1-CE2 4Å; Y712-F762 AromaticContact CD2-CD2 3.99Å; Y712-F762 HydrophobicContact CD2-CD2 3.99Å; Y712-F762 AromaticContact CD2-CE2 3.56Å; Y712-F762 HydrophobicContact CD2-CE2 3.56Å; Y712-F762 AromaticContact CE1-CD2 3.9Å; Y712-F762 HydrophobicContact CE1-CD2 3.9Å; Y712-F762 HydrophobicContact CE1-CE2 4.45Å; Y712-F762 HydrophobicContact CE2-CD2 4.26Å; Y712-F762 HydrophobicContact CE2-CE2 4.08Å; Y712-F762 AromaticContact CG-CD2 3.69Å; Y712-F762 HydrophobicContact CG-CD2 3.69Å; Y712-F762 AromaticContact CG-CE2 3.53Å; Y712-F762 HydrophobicContact CG-CE2 3.53Å; F714-F762 HydrophobicContact CE2-CD1 4.08Å; F714-F762 AromaticContact CE2-CD2 3.77Å; F714-F762 HydrophobicContact CE2-CD2 3.77Å; F714-F762 AromaticContact CE2-CE1 3.93Å; F714-F762 HydrophobicContact CE2-CE1 3.93Å; F714-F762 AromaticContact CE2-CE2 3.6Å; F714-F762 HydrophobicContact CE2-CE2 3.6Å; F714-F762 HydrophobicContact CE2-CG 4Å; F714-F762 AromaticContact CE2-CZ 3.68Å; F714-F762 HydrophobicContact CE2-CZ 3.68Å; F714-F762 HydrophobicContact CZ-CB 4.07Å; F714-F762 AromaticContact CZ-CD1 3.98Å; F714-F762 HydrophobicContact CZ-CD1 3.98Å; F714-F762 AromaticContact CZ-CD2 3.52Å; F714-F762 HydrophobicContact CZ-CD2 3.52Å; F714-F762 HydrophobicContact CZ-CE1 4.3Å; F714-F762 AromaticContact CZ-CE2 3.87Å; F714-F762 HydrophobicContact CZ-CE2 3.87Å; F714-F762 AromaticContact CZ-CG 3.57Å; F714-F762 HydrophobicContact CZ-CG 3.57Å; F714-F762 HydrophobicContact CZ-CZ 4.25Å; T719-F762 HydrophobicContact CG2-CE1 4.43Å; T719-F762 HydrophobicContact CG2-CE2 3.87Å; T719-F762 HydrophobicContact CG2-CZ 3.49Å; T719-F762 VanDerWaalsContact CG2-CZ 3.49Å; L721-F762 HydrophobicContact CD1-CD2 4.41Å; L721-F762 HydrophobicContact CD1-CE2 3.96Å; L721-F762 HydrophobicContact CD2-CE2 3.75Å; L721-F762 HydrophobicContact CD2-CZ 3.65Å; L721-F762 HydrophobicContact CG-CE2 3.93Å; L721-F762 HydrophobicContact CG-CZ 4.31Å; T760-F762 PolarHBondContact O-N 3.12Å; F762-R835 WeakPolarHBondContact CE1-O 3.42Å; F762-R878 HydrophobicContact CD1-CB 4.35Å
763	N	92.4	Very high	93.7	Very high	49 Å²	49	15 Å²	15	26%	0.262	8%	0.076	S	C	.	.	G	3₁₀ helix	trans	-102.4	10.8	171.7	-75.6	-18.4	0	0	0	112.7	H758 T760 Y761 T765 S766 K767	H758-N763 WeakPolarHBondContact O-CB 3.29Å; H758-N763 PolarHBondContact O-ND2 2.81Å; T760-N763 PolarHBondContact O-N 3.48Å; T760-N763 PolarHBondContact OG1-N 3.04Å; T760-N763 PolarHBondContact OG1-ND2 3.47Å; Y761-N763 VanDerWaalsContact C-N 3.3Å; Y761-N763 PolarHBondContact O-N 3.28Å; N763-T765 PolarHBondContact O-N 3.33Å; N763-S766 PolarHBondContact O-N 3.44Å; N763-S766 VanDerWaalsContact O-N 3.11Å; N763-K767 PolarHBondContact O-N 3.35Å; N763-K767 VanDerWaalsContact O-N 3.13Å
764	L	94.8	Very high	93.6	Very high	22 Å²	22	15.1 Å²	15.1	12%	0.115	8%	0.076	C	C	.	.	H	α-helix	trans	-57.3	-36.5	176.8	-74.8	173.7	0	0	0	112.5	Y761 S766 K767 M768 D880	Y761-L764 HydrophobicContact CD2-CD1 3.83Å; Y761-L764 HydrophobicContact CE2-CD1 3.85Å; Y761-L764 HydrophobicContact CG-CD1 4.4Å; Y761-L764 VanDerWaalsContact O-CD1 3.3Å; Y761-L764 WeakPolarHBondContact O-CD1 3.37Å; Y761-L764 WeakPolarHBondContact O-CG 3.26Å; Y761-L764 PolarHBondContact O-N 2.87Å; L764-S766 PolarHBondContact O-N 2.95Å; L764-K767 HydrophobicContact CD2-CD 4.44Å; L764-K767 WeakPolarHBondContact O-CB 3.45Å; L764-K767 PolarHBondContact O-N 2.95Å; L764-K767 VanDerWaalsContact O-N 3.16Å; L764-M768 PolarHBondContact O-N 2.88Å; L764-D880 HydrophobicContact CB-CB 4.02Å
765	T	95.7	Very high	93.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.1	-42.9	175.8	-56.5	0	0	0	0	112.2	N763 K767 M768 M769 Q876 M877 D880 Y883	N763-T765 PolarHBondContact O-N 3.33Å; T765-K767 VanDerWaalsContact C-N 3.31Å; T765-K767 PolarHBondContact O-N 3.2Å; T765-M768 PolarHBondContact O-N 3.34Å; T765-M769 HydrophobicContact CG2-SD 4.25Å; T765-M769 WeakPolarHBondContact O-CB 3.19Å; T765-M769 VanDerWaalsContact O-CG 3.29Å; T765-M769 WeakPolarHBondContact O-CG 3.13Å; T765-M769 PolarHBondContact O-N 3.08Å; T765-Q876 HydrophobicContact CG2-CG 3.58Å; T765-M877 WeakPolarHBondContact CB-O 3.36Å; T765-M877 WeakPolarHBondContact CG2-O 3.43Å; T765-M877 PolarHBondContact OG1-O 2.78Å; T765-D880 WeakPolarHBondContact OG1-CA 3.24Å; T765-Y883 HydrophobicContact CG2-CD1 3.37Å; T765-Y883 HydrophobicContact CG2-CE1 3.75Å; T765-Y883 HydrophobicContact CG2-CG 3.97Å
766	S	94.7	Very high	93.6	Very high	23 Å²	23	16.1 Å²	16.1	16%	0.161	8%	0.082	C	C	.	.	H	α-helix	trans	-64.5	-37.6	176	-55.5	0	0	0	0	111.6	N763 L764 M769 L770 Q876	N763-S766 PolarHBondContact O-N 3.44Å; N763-S766 VanDerWaalsContact O-N 3.11Å; L764-S766 PolarHBondContact O-N 2.95Å; S766-M769 PolarHBondContact O-N 3.2Å; S766-L770 WeakPolarHBondContact O-CB 3.5Å; S766-L770 PolarHBondContact O-N 2.85Å; S766-Q876 PolarHBondContact OG-NE2 3.28Å
767	K	97.1	Very high	93.4	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.017	9%	0.091	C	C	.	.	H	α-helix	trans	-64.3	-42.6	173.8	-173.2	-175.3	-67.1	-174	0	112.5	S669 T700 F757 D759 N763 L764 T765 L770 S771	S669-K767 PolarHBondContact O-NZ 2.94Å; T700-K767 HydrophobicContact CG2-CD 4.02Å; T700-K767 HydrophobicContact CG2-CG 3.9Å; F757-K767 HydrophobicContact CE2-CB 3.84Å; F757-K767 HydrophobicContact CE2-CG 4.35Å; F757-K767 VanDerWaalsContact CZ-CA 3.43Å; F757-K767 HydrophobicContact CZ-CB 3.66Å; F757-K767 HydrophobicContact CZ-CG 4.06Å; D759-K767 WeakPolarHBondContact OD1-CE 3.34Å; D759-K767 IonicContact OD1-NZ 3.73Å; D759-K767 PolarHBondContact OD1-NZ 3.44Å; D759-K767 IonicContact OD2-NZ 3.04Å; D759-K767 PolarHBondContact OD2-NZ 3.42Å; N763-K767 PolarHBondContact O-N 3.35Å; N763-K767 VanDerWaalsContact O-N 3.13Å; L764-K767 HydrophobicContact CD2-CD 4.44Å; L764-K767 WeakPolarHBondContact O-CB 3.45Å; L764-K767 PolarHBondContact O-N 2.95Å; L764-K767 VanDerWaalsContact O-N 3.16Å; T765-K767 VanDerWaalsContact C-N 3.31Å; T765-K767 PolarHBondContact O-N 3.2Å; K767-L770 PolarHBondContact O-N 3.18Å; K767-S771 WeakPolarHBondContact O-CB 3.32Å; K767-S771 PolarHBondContact O-N 3.44Å; K767-S771 VanDerWaalsContact O-N 3.09Å; K767-S771 PolarHBondContact O-OG 3.1Å
768	M	97.2	Very high	93.3	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-64.2	-46.1	174.9	-178.5	-179.1	61.1	0	0	111.2	L764 T765 L770 S771 L772 Y857 M871 D880 Y883 L884	L764-M768 PolarHBondContact O-N 2.88Å; T765-M768 PolarHBondContact O-N 3.34Å; M768-L770 VanDerWaalsContact C-N 3.31Å; M768-L770 PolarHBondContact O-N 2.94Å; M768-S771 WeakPolarHBondContact O-CB 2.93Å; M768-S771 PolarHBondContact O-N 3.08Å; M768-L772 HydrophobicContact CG-CD1 4Å; M768-L772 PolarHBondContact O-N 2.79Å; M768-Y857 PolarHBondContact SD-OH 2.96Å; M768-Y857 VanDerWaalsContact SD-OH 3.42Å; M768-M871 HydrophobicContact CE-CE 3.75Å; M768-M871 HydrophobicContact SD-CE 4.49Å; M768-D880 HydrophobicContact CE-CB 4.06Å; M768-D880 WeakPolarHBondContact CE-O 3.48Å; M768-D880 HydrophobicContact SD-CB 4.28Å; M768-Y883 HydrophobicContact CE-CD1 3.76Å; M768-L884 HydrophobicContact CE-CB 4.08Å; M768-L884 HydrophobicContact SD-CB 3.9Å; M768-L884 HydrophobicContact SD-CD2 4.28Å; M768-L884 HydrophobicContact SD-CG 4.48Å
769	M	96.2	Very high	93.5	Very high	9 Å²	9	15.4 Å²	15.4	4%	0.044	8%	0.078	C	C	.	.	H	α-helix	trans	-57.8	-43	175.9	-73.6	176.4	69.6	0	0	111.7	L642 T765 S766 S771 L772 R773 M871 Y883	L642-M769 HydrophobicContact CD2-CB 3.94Å; T765-M769 HydrophobicContact CG2-SD 4.25Å; T765-M769 WeakPolarHBondContact O-CB 3.19Å; T765-M769 VanDerWaalsContact O-CG 3.29Å; T765-M769 WeakPolarHBondContact O-CG 3.13Å; T765-M769 PolarHBondContact O-N 3.08Å; S766-M769 PolarHBondContact O-N 3.2Å; M769-S771 VanDerWaalsContact C-N 3.3Å; M769-S771 PolarHBondContact O-N 2.71Å; M769-L772 PolarHBondContact O-N 3.02Å; M769-R773 WeakPolarHBondContact O-CB 3.47Å; M769-R773 WeakPolarHBondContact O-CG 3.45Å; M769-R773 PolarHBondContact O-N 2.89Å; M769-M871 HydrophobicContact CB-SD 4.39Å; M769-M871 HydrophobicContact CE-CB 4.26Å; M769-M871 HydrophobicContact CG-SD 3.63Å; M769-Y883 HydrophobicContact CG-CE1 4.41Å; M769-Y883 HydrophobicContact SD-CE1 4.32Å
770	L	95.6	Very high	93.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.5	-45.2	178.6	175.8	69.1	0	0	0	110.1	M563 L642 A644 L753 F757 S766 K767 M768 R773 W774	M563-L770 HydrophobicContact CB-CD1 4.47Å; M563-L770 HydrophobicContact CG-CD1 3.94Å; L642-L770 HydrophobicContact CD1-CB 4.05Å; L642-L770 VanDerWaalsContact CD2-CA 3.45Å; L642-L770 HydrophobicContact CD2-CB 4.06Å; L642-L770 HydrophobicContact CD2-CD1 4.43Å; L642-L770 HydrophobicContact CG-CB 4.02Å; L642-L770 HydrophobicContact CG-CD1 3.96Å; A644-L770 HydrophobicContact CB-CD1 4.24Å; L753-L770 HydrophobicContact CD1-CD2 4.42Å; L753-L770 HydrophobicContact CD1-CG 4.49Å; L753-L770 HydrophobicContact CD2-CD2 4.31Å; L753-L770 HydrophobicContact CD2-CG 4.09Å; L753-L770 HydrophobicContact CG-CD2 4.05Å; L753-L770 HydrophobicContact CG-CG 4.28Å; F757-L770 HydrophobicContact CE1-CB 4.18Å; F757-L770 HydrophobicContact CE1-CD2 3.86Å; F757-L770 HydrophobicContact CZ-CD2 4.21Å; S766-L770 WeakPolarHBondContact O-CB 3.5Å; S766-L770 PolarHBondContact O-N 2.85Å; K767-L770 PolarHBondContact O-N 3.18Å; M768-L770 VanDerWaalsContact C-N 3.31Å; M768-L770 PolarHBondContact O-N 2.94Å; L770-R773 PolarHBondContact O-N 2.63Å; L770-W774 VanDerWaalsContact O-CB 3.26Å; L770-W774 WeakPolarHBondContact O-CB 3.46Å; L770-W774 PolarHBondContact O-N 3.2Å
771	S	97.3	Very high	93.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65	-43.3	-177.7	-53.8	0	0	0	0	112	T700 K767 M768 M769 A775	T700-S771 WeakPolarHBondContact CB-OG 3.37Å; T700-S771 WeakPolarHBondContact CG2-OG 3.29Å; T700-S771 PolarHBondContact OG1-OG 3.49Å; K767-S771 WeakPolarHBondContact O-CB 3.32Å; K767-S771 PolarHBondContact O-N 3.44Å; K767-S771 VanDerWaalsContact O-N 3.09Å; K767-S771 PolarHBondContact O-OG 3.1Å; M768-S771 WeakPolarHBondContact O-CB 2.93Å; M768-S771 PolarHBondContact O-N 3.08Å; M769-S771 VanDerWaalsContact C-N 3.3Å; M769-S771 PolarHBondContact O-N 2.71Å; S771-A775 VanDerWaalsContact O-CB 3.28Å; S771-A775 WeakPolarHBondContact O-CB 3.48Å; S771-A775 PolarHBondContact O-N 3.01Å
772	L	97.4	Very high	93.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67	-41.3	176.8	-74	165.9	0	0	0	112.5	M768 M769 A775 T776 F788 L859 V864 M871	M768-L772 HydrophobicContact CG-CD1 4Å; M768-L772 PolarHBondContact O-N 2.79Å; M769-L772 PolarHBondContact O-N 3.02Å; L772-A775 PolarHBondContact O-N 3.05Å; L772-T776 WeakPolarHBondContact O-CB 3.28Å; L772-T776 PolarHBondContact O-N 2.79Å; L772-T776 PolarHBondContact O-OG1 3.09Å; L772-F788 HydrophobicContact CD2-CE1 4.33Å; L772-F788 HydrophobicContact CD2-CE2 4.2Å; L772-F788 HydrophobicContact CD2-CZ 3.6Å; L772-F788 HydrophobicContact CG-CE1 4.39Å; L772-F788 HydrophobicContact CG-CZ 4.12Å; L772-L859 HydrophobicContact CD2-CD1 3.92Å; L772-V864 HydrophobicContact CD2-CB 4.25Å; L772-V864 HydrophobicContact CD2-CG1 3.94Å; L772-V864 HydrophobicContact CD2-CG2 4.02Å; L772-M871 HydrophobicContact CD1-CE 3.2Å; L772-M871 HydrophobicContact CD1-SD 3.63Å
773	R	94	Very high	93.6	Very high	10 Å²	10	17.8 Å²	17.8	4%	0.038	10%	0.099	C	C	.	.	H	α-helix	trans	-69.2	-39.8	177.1	-76.6	163.8	161.8	-161.3	13.4	111.7	M563 N639 L642 M769 L770 T776 N777	M563-R773 HydrophobicContact CB-CB 4.11Å; M563-R773 WeakPolarHBondContact O-CD 2.97Å; M563-R773 PolarHBondContact O-NH1 2.71Å; N639-R773 PolarHBondContact OD1-NH2 2.74Å; L642-R773 VanDerWaalsContact CD2-CD 3.43Å; M769-R773 WeakPolarHBondContact O-CB 3.47Å; M769-R773 WeakPolarHBondContact O-CG 3.45Å; M769-R773 PolarHBondContact O-N 2.89Å; L770-R773 PolarHBondContact O-N 2.63Å; R773-T776 PolarHBondContact O-N 3.01Å; R773-N777 WeakPolarHBondContact O-CB 3.27Å; R773-N777 PolarHBondContact O-N 3.2Å; R773-N777 PolarHBondContact O-ND2 3.35Å
774	W	94.1	Very high	93.9	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	9%	0.09	C	C	.	.	H	α-helix	trans	-60.4	-48.3	171.4	166.1	80.6	0	0	0	111.7	M563 P648 T651 C652 V664 I666 V698 L753 L770 T776 N777 F778 C779	M563-W774 HydrophobicContact CE-CB 3.74Å; M563-W774 HydrophobicContact CE-CG 4.48Å; P648-W774 HydrophobicContact CG-CH2 4.3Å; P648-W774 HydrophobicContact CG-CZ2 3.39Å; T651-W774 HydrophobicContact CG2-CH2 4.02Å; T651-W774 HydrophobicContact CG2-CZ2 4.36Å; C652-W774 HydrophobicContact CB-CH2 4.42Å; C652-W774 HydrophobicContact CB-CZ2 3.85Å; V664-W774 HydrophobicContact CG1-CH2 4.29Å; I666-W774 HydrophobicContact CD1-CE3 4.4Å; I666-W774 HydrophobicContact CD1-CZ3 3.89Å; I666-W774 HydrophobicContact CG1-CZ3 4.02Å; V698-W774 HydrophobicContact CB-CH2 4.14Å; V698-W774 HydrophobicContact CG1-CH2 4.27Å; V698-W774 HydrophobicContact CG2-CH2 3.6Å; V698-W774 HydrophobicContact CG2-CZ2 4.05Å; V698-W774 HydrophobicContact CG2-CZ3 4.45Å; L753-W774 HydrophobicContact CD1-CB 4.2Å; L753-W774 HydrophobicContact CD1-CG 3.92Å; L753-W774 HydrophobicContact CD2-CB 3.67Å; L753-W774 HydrophobicContact CD2-CD2 3.8Å; L753-W774 HydrophobicContact CD2-CE3 3.93Å; L753-W774 HydrophobicContact CD2-CG 3.67Å; L753-W774 HydrophobicContact CG-CG 4.41Å; L770-W774 VanDerWaalsContact O-CB 3.26Å; L770-W774 WeakPolarHBondContact O-CB 3.46Å; L770-W774 PolarHBondContact O-N 3.2Å; W774-T776 VanDerWaalsContact C-N 3.32Å; W774-T776 PolarHBondContact O-N 2.87Å; W774-N777 PolarHBondContact O-N 3.22Å; W774-F778 AromaticContact CD1-CD2 3.38Å; W774-F778 AromaticContact CD1-CE2 3.86Å; W774-F778 HydrophobicContact CG-CD2 4.18Å; W774-F778 AromaticContact NE1-CD2 3.79Å; W774-F778 WeakPolarHBondContact O-CD2 3.36Å; W774-F778 PolarHBondContact O-N 3.24Å; W774-C779 WeakPolarHBondContact CH2-SG 3.42Å; W774-C779 VanDerWaalsContact CZ2-SG 3.56Å
775	A	95.3	Very high	94.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.085	C	C	.	.	I	π-helix	trans	-60.7	-42.7	177.2	0	0	0	0	0	111.7	I666 S771 L772 N777 C779 I780 F786 V864	I666-A775 HydrophobicContact CD1-CB 4.4Å; S771-A775 VanDerWaalsContact O-CB 3.28Å; S771-A775 WeakPolarHBondContact O-CB 3.48Å; S771-A775 PolarHBondContact O-N 3.01Å; L772-A775 PolarHBondContact O-N 3.05Å; A775-N777 PolarHBondContact O-N 3.3Å; A775-C779 HydrophobicContact CB-CB 4.3Å; A775-C779 WeakPolarHBondContact O-CA 3.5Å; A775-C779 VanDerWaalsContact O-CB 3.27Å; A775-C779 WeakPolarHBondContact O-CB 3.32Å; A775-C779 PolarHBondContact O-N 3.13Å; A775-I780 PolarHBondContact O-N 2.98Å; A775-F786 HydrophobicContact CB-CD1 4.15Å; A775-F786 HydrophobicContact CB-CE1 3.89Å; A775-F786 HydrophobicContact CB-CZ 4.44Å; A775-V864 HydrophobicContact CB-CG1 3.8Å
776	T	93.8	Very high	94.2	Very high	21 Å²	21	14.9 Å²	14.9	13%	0.129	9%	0.085	C	C	.	.	I	π-helix	trans	-59.5	-47	177.3	-59.7	0	0	0	0	112.1	L772 R773 W774 V864 H865 S868 F869	L772-T776 WeakPolarHBondContact O-CB 3.28Å; L772-T776 PolarHBondContact O-N 2.79Å; L772-T776 PolarHBondContact O-OG1 3.09Å; R773-T776 PolarHBondContact O-N 3.01Å; W774-T776 VanDerWaalsContact C-N 3.32Å; W774-T776 PolarHBondContact O-N 2.87Å; T776-V864 PolarHBondContact OG1-O 3.36Å; T776-H865 HydrophobicContact CG2-CB 4.47Å; T776-S868 WeakPolarHBondContact OG1-CB 3.32Å; T776-S868 PolarHBondContact OG1-OG 3.46Å; T776-F869 HydrophobicContact CG2-CE2 4.31Å
777	N	87.7	Confident	94.4	Very high	61 Å²	61	13.8 Å²	13.8	33%	0.326	8%	0.077	S	C	.	.	I	π-helix	trans	-73.1	-34.6	-176.2	-80.1	-77.4	0	0	0	113.5	R773 W774 A775	R773-N777 WeakPolarHBondContact O-CB 3.27Å; R773-N777 PolarHBondContact O-N 3.2Å; R773-N777 PolarHBondContact O-ND2 3.35Å; W774-N777 PolarHBondContact O-N 3.22Å; A775-N777 PolarHBondContact O-N 3.3Å
778	F	88.7	Confident	94.4	Very high	18 Å²	18	13.7 Å²	13.7	8%	0.079	8%	0.076	C	C	.	.	I	π-helix	trans	-123.4	-24.6	-166.7	-55.4	-62.5	0	0	0	115.2	I548 M563 L647 C652 P654 W774	I548-F778 HydrophobicContact CD1-CE1 3.4Å; I548-F778 HydrophobicContact CD1-CE2 4.41Å; I548-F778 HydrophobicContact CD1-CZ 3.32Å; M563-F778 HydrophobicContact CE-CD2 4.11Å; M563-F778 HydrophobicContact CE-CE2 3.48Å; M563-F778 VanDerWaalsContact CE-CE2 3.48Å; M563-F778 HydrophobicContact CE-CZ 4.39Å; M563-F778 HydrophobicContact SD-CE2 4.41Å; L647-F778 HydrophobicContact CD1-CE2 4.17Å; L647-F778 HydrophobicContact CD1-CZ 4.19Å; L647-F778 HydrophobicContact CD2-CE2 4.27Å; C652-F778 HydrophobicContact CB-CB 4.06Å; C652-F778 WeakPolarHBondContact O-CB 3.24Å; P654-F778 HydrophobicContact CB-CD1 3.86Å; P654-F778 HydrophobicContact CB-CE1 3.91Å; P654-F778 HydrophobicContact CG-CD1 4.19Å; P654-F778 HydrophobicContact CG-CE1 4.05Å; W774-F778 AromaticContact CD1-CD2 3.38Å; W774-F778 AromaticContact CD1-CE2 3.86Å; W774-F778 HydrophobicContact CG-CD2 4.18Å; W774-F778 AromaticContact NE1-CD2 3.79Å; W774-F778 WeakPolarHBondContact O-CD2 3.36Å; W774-F778 PolarHBondContact O-N 3.24Å
779	C	92.7	Very high	94.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-105.9	-27.5	-171.1	-62.7	0	0	0	0	115.3	C652 W774 A775 P781 Q782 S783 F786	C652-C779 HydrophobicContact CB-CB 3.87Å; C652-C779 WeakPolarHBondContact CB-SG 3.47Å; C652-C779 WeakPolarHBondContact SG-CA 3.39Å; C652-C779 WeakPolarHBondContact SG-CB 3.35Å; C652-C779 CovalentContact SG-SG 2.01Å; C652-C779 PolarHBondContact SG-SG 3.24Å; W774-C779 WeakPolarHBondContact CH2-SG 3.42Å; W774-C779 VanDerWaalsContact CZ2-SG 3.56Å; A775-C779 HydrophobicContact CB-CB 4.3Å; A775-C779 WeakPolarHBondContact O-CA 3.5Å; A775-C779 VanDerWaalsContact O-CB 3.27Å; A775-C779 WeakPolarHBondContact O-CB 3.32Å; A775-C779 PolarHBondContact O-N 3.13Å; C779-P781 VanDerWaalsContact C-N 3.27Å; C779-Q782 PolarHBondContact O-N 3.25Å; C779-S783 PolarHBondContact O-N 3.29Å; C779-S783 VanDerWaalsContact O-N 3.13Å; C779-F786 HydrophobicContact CB-CE1 3.33Å; C779-F786 HydrophobicContact CB-CZ 3.49Å; C779-F786 VanDerWaalsContact CB-CZ 3.49Å
780	I	89.9	Confident	94.4	Very high	42 Å²	42	14.9 Å²	14.9	22%	0.215	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-41.2	-176.8	-66.1	-62.1	0	0	0	113.2	A775 Q782 F786 A861 V864	A775-I780 PolarHBondContact O-N 2.98Å; I780-Q782 PolarHBondContact O-N 2.91Å; I780-F786 HydrophobicContact CD1-CE2 3.9Å; I780-F786 HydrophobicContact CD1-CZ 4.2Å; I780-A861 HydrophobicContact CD1-CB 3.8Å; I780-A861 WeakPolarHBondContact CD1-O 3.3Å; I780-A861 HydrophobicContact CG2-CB 4.4Å; I780-V864 HydrophobicContact CD1-CB 4.06Å; I780-V864 HydrophobicContact CD1-CG1 3.97Å
781	P	86.4	Confident	94.3	Very high	88 Å²	88	16.5 Å²	16.5	57%	0.571	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-17.9	177.8	-21.3	34.9	0	0	0	114.5	C779	C779-P781 VanDerWaalsContact C-N 3.27Å
782	Q	89.8	Confident	93.8	Very high	22 Å²	22	21 Å²	21	10%	0.103	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-27.7	-169.3	-56.1	-172.2	15.2	0	0	113.9	T658 N660 V661 C779 I780	T658-Q782 PolarHBondContact OG1-NE2 2.95Å; T658-Q782 PolarHBondContact OG1-OE1 3.47Å; N660-Q782 CarbonylContact C-O 3.57Å; N660-Q782 WeakPolarHBondContact CA-O 3.47Å; V661-Q782 PolarHBondContact N-O 3.31Å; C779-Q782 PolarHBondContact O-N 3.25Å; I780-Q782 PolarHBondContact O-N 2.91Å
783	S	95.6	Very high	93.7	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.014	12%	0.119	C	C	.	.			trans	-134.1	130.7	-176	-169.1	0	0	0	0	111.5	V664 C779 L785	V664-S783 PolarHBondContact N-OG 3.47Å; C779-S783 PolarHBondContact O-N 3.29Å; C779-S783 VanDerWaalsContact O-N 3.13Å; S783-L785 VanDerWaalsContact C-N 3.26Å; S783-L785 PolarHBondContact O-N 3.17Å; S783-L785 PolarHBondContact OG-N 2.79Å; S783-L785 PolarHBondContact OG-O 3.43Å
784	P	97.5	Very high	93.8	Very high	10 Å²	10	21.8 Å²	21.8	7%	0.065	12%	0.119	C	C	.	.	S	Bend	trans	-75	-18.5	173.7	32.2	-34.5	0	0	0	112.5	V661 Y809 L812 K813 G860 A861	V661-P784 WeakPolarHBondContact O-CD 3.46Å; P784-Y809 HydrophobicContact CB-CD2 4.1Å; P784-Y809 HydrophobicContact CB-CE2 3.66Å; P784-Y809 HydrophobicContact CG-CD2 4.21Å; P784-Y809 HydrophobicContact CG-CE2 3.87Å; P784-L812 HydrophobicContact CB-CB 4.35Å; P784-K813 HydrophobicContact CB-CG 3.88Å; P784-G860 WeakPolarHBondContact O-CA 3.25Å; P784-A861 PolarHBondContact O-N 2.97Å
785	L	98.5	Very high	93.9	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	142.2	-168.9	-170.7	66.7	0	0	0	111.8	L663 V664 S783 I804 L812 L815 F858	L663-L785 HydrophobicContact CD1-CB 4.17Å; L663-L785 HydrophobicContact CD1-CD2 3.84Å; L663-L785 HydrophobicContact CD1-CG 3.85Å; V664-L785 PolarHBondContact N-O 3.35Å; V664-L785 VanDerWaalsContact N-O 3.17Å; S783-L785 VanDerWaalsContact C-N 3.26Å; S783-L785 PolarHBondContact O-N 3.17Å; S783-L785 PolarHBondContact OG-N 2.79Å; S783-L785 PolarHBondContact OG-O 3.43Å; L785-I804 HydrophobicContact CD2-CD1 3.93Å; L785-I804 HydrophobicContact CD2-CG1 3.93Å; L785-I804 HydrophobicContact CD2-CG2 4.23Å; L785-L812 HydrophobicContact CD1-CD2 4.31Å; L785-L812 HydrophobicContact CD2-CD2 3.74Å; L785-L812 HydrophobicContact CG-CD2 4.42Å; L785-L815 HydrophobicContact CD1-CB 4.47Å; L785-L815 HydrophobicContact CD1-CD2 4.15Å; L785-F858 HydrophobicContact CD1-CB 4.14Å; L785-F858 HydrophobicContact CD1-CD1 4.13Å; L785-F858 HydrophobicContact CD2-CD1 3.64Å; L785-F858 HydrophobicContact CD2-CE1 3.92Å; L785-F858 HydrophobicContact CG-CD1 3.92Å
786	F	98.6	Very high	94	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.4	177.1	-60.6	-93.6	0	0	0	109.6	V664 I666 A775 C779 I780 F788 F858 L859 A861 V864	V664-F786 HydrophobicContact CB-CD1 3.77Å; V664-F786 HydrophobicContact CB-CE1 3.86Å; V664-F786 HydrophobicContact CG1-CD1 4.07Å; V664-F786 HydrophobicContact CG1-CE1 4.19Å; V664-F786 HydrophobicContact CG2-CE1 4.23Å; V664-F786 VanDerWaalsContact O-CA 3.29Å; V664-F786 WeakPolarHBondContact O-CA 3.47Å; I666-F786 HydrophobicContact CD1-CD1 4.25Å; A775-F786 HydrophobicContact CB-CD1 4.15Å; A775-F786 HydrophobicContact CB-CE1 3.89Å; A775-F786 HydrophobicContact CB-CZ 4.44Å; C779-F786 HydrophobicContact CB-CE1 3.33Å; C779-F786 HydrophobicContact CB-CZ 3.49Å; C779-F786 VanDerWaalsContact CB-CZ 3.49Å; I780-F786 HydrophobicContact CD1-CE2 3.9Å; I780-F786 HydrophobicContact CD1-CZ 4.2Å; F786-F788 HydrophobicContact CB-CD2 4.47Å; F786-F788 HydrophobicContact CB-CE2 3.84Å; F786-F858 CarbonylContact O-C 3.48Å; F786-F858 VanDerWaalsContact O-CA 3.3Å; F786-F858 WeakPolarHBondContact O-CA 3.42Å; F786-L859 WeakPolarHBondContact CB-O 3.05Å; F786-L859 PolarHBondContact N-O 3.28Å; F786-L859 PolarHBondContact O-N 2.92Å; F786-A861 HydrophobicContact CE2-CB 4.16Å; F786-V864 HydrophobicContact CB-CG2 4.14Å; F786-V864 HydrophobicContact CD2-CB 4.39Å; F786-V864 HydrophobicContact CD2-CG2 3.69Å; F786-V864 HydrophobicContact CE2-CG2 4.42Å; F786-V864 HydrophobicContact CG-CG2 4Å
787	L	98.5	Very high	94.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.6	175	172	57.3	0	0	0	108.8	L663 V664 V665 I666 I789 L795 Y857 F858 F915	L663-L787 HydrophobicContact CD1-CB 3.91Å; L663-L787 HydrophobicContact CD2-CB 4.49Å; L663-L787 HydrophobicContact CD2-CD2 4.43Å; V664-L787 PolarHBondContact O-N 3.4Å; V665-L787 CarbonylContact C-O 3.59Å; V665-L787 WeakPolarHBondContact CA-O 3.1Å; V665-L787 HydrophobicContact CG1-CD2 4.46Å; V665-L787 HydrophobicContact CG1-CG 4.43Å; V665-L787 HydrophobicContact CG2-CB 4.33Å; V665-L787 HydrophobicContact CG2-CD2 4.31Å; I666-L787 PolarHBondContact N-O 3.34Å; L787-I789 HydrophobicContact CD1-CG2 3.75Å; L787-I789 HydrophobicContact CD2-CG2 4.23Å; L787-I789 HydrophobicContact CG-CG2 3.76Å; L787-L795 HydrophobicContact CD2-CD1 3.67Å; L787-L795 HydrophobicContact CD2-CD2 3.66Å; L787-L795 HydrophobicContact CD2-CG 4.34Å; L787-Y857 WeakPolarHBondContact CD1-O 3.37Å; L787-F858 HydrophobicContact CB-CD1 3.8Å; L787-F858 HydrophobicContact CB-CE1 3.68Å; L787-F858 HydrophobicContact CD1-CD1 3.96Å; L787-F858 HydrophobicContact CD1-CD2 4.26Å; L787-F858 HydrophobicContact CD1-CE1 3.84Å; L787-F858 HydrophobicContact CD1-CE2 4.14Å; L787-F858 HydrophobicContact CD1-CG 4.19Å; L787-F858 HydrophobicContact CD1-CZ 3.93Å; L787-F858 HydrophobicContact CD2-CE1 3.81Å; L787-F858 HydrophobicContact CD2-CZ 3.9Å; L787-F858 HydrophobicContact CG-CD1 4.32Å; L787-F858 HydrophobicContact CG-CE1 3.97Å; L787-F858 HydrophobicContact CG-CZ 4.34Å; L787-F915 HydrophobicContact CD1-CE2 4.41Å; L787-F915 HydrophobicContact CD2-CE2 4.21Å
788	F	98.4	Very high	94.4	Very high	1 Å²	1	19.1 Å²	19.1	0%	0.004	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129	175	-66.4	-104	0	0	0	108.4	I666 L772 F786 G856 Y857 L859 V864	I666-F788 HydrophobicContact CB-CD1 4.01Å; I666-F788 HydrophobicContact CB-CE1 4.15Å; I666-F788 HydrophobicContact CB-CG 4.48Å; I666-F788 HydrophobicContact CD1-CD1 4.24Å; I666-F788 HydrophobicContact CD1-CE1 3.55Å; I666-F788 HydrophobicContact CD1-CE2 4.12Å; I666-F788 HydrophobicContact CD1-CZ 3.47Å; I666-F788 VanDerWaalsContact CD1-CZ 3.47Å; I666-F788 HydrophobicContact CG1-CE1 4.45Å; I666-F788 HydrophobicContact CG2-CD1 4.03Å; I666-F788 HydrophobicContact CG2-CE1 4.1Å; I666-F788 WeakPolarHBondContact O-CA 3.34Å; L772-F788 HydrophobicContact CD2-CE1 4.33Å; L772-F788 HydrophobicContact CD2-CE2 4.2Å; L772-F788 HydrophobicContact CD2-CZ 3.6Å; L772-F788 HydrophobicContact CG-CE1 4.39Å; L772-F788 HydrophobicContact CG-CZ 4.12Å; F786-F788 HydrophobicContact CB-CD2 4.47Å; F786-F788 HydrophobicContact CB-CE2 3.84Å; F788-G856 CarbonylContact O-C 3.53Å; F788-G856 WeakPolarHBondContact O-CA 3.42Å; F788-Y857 HydrophobicContact CB-CD2 3.99Å; F788-Y857 HydrophobicContact CB-CE1 4.2Å; F788-Y857 HydrophobicContact CB-CE2 3.45Å; F788-Y857 VanDerWaalsContact CB-CE2 3.45Å; F788-Y857 HydrophobicContact CD1-CE2 4.4Å; F788-Y857 HydrophobicContact CD2-CD2 4.14Å; F788-Y857 AromaticContact CD2-CE2 3.6Å; F788-Y857 HydrophobicContact CD2-CE2 3.6Å; F788-Y857 HydrophobicContact CE2-CE2 4.47Å; F788-Y857 HydrophobicContact CG-CD2 4.34Å; F788-Y857 AromaticContact CG-CE2 3.57Å; F788-Y857 HydrophobicContact CG-CE2 3.57Å; F788-Y857 AromaticContact CG-CZ 3.95Å; F788-Y857 PolarHBondContact N-O 2.91Å; F788-Y857 PolarHBondContact O-N 3.26Å; F788-L859 HydrophobicContact CD2-CD1 4.25Å; F788-L859 HydrophobicContact CD2-CG 4.45Å; F788-L859 HydrophobicContact CE2-CB 4.4Å; F788-L859 HydrophobicContact CE2-CD1 3.92Å; F788-L859 HydrophobicContact CE2-CG 4.36Å; F788-V864 HydrophobicContact CE2-CG2 4.42Å
789	I	97.3	Very high	94.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	155.7	-179.9	63.4	174.7	0	0	0	110.8	V665 I666 V667 K668 Y684 L787 L795 L916	V665-I789 HydrophobicContact CG1-CD1 4Å; V665-I789 HydrophobicContact CG1-CG1 4.22Å; I666-I789 PolarHBondContact O-N 2.99Å; V667-I789 CarbonylContact C-O 3.54Å; V667-I789 WeakPolarHBondContact CA-O 3.18Å; V667-I789 HydrophobicContact CB-CG1 4.28Å; V667-I789 HydrophobicContact CG1-CG1 4.2Å; V667-I789 HydrophobicContact CG2-CD1 3.99Å; V667-I789 HydrophobicContact CG2-CG1 3.92Å; K668-I789 PolarHBondContact N-O 2.87Å; Y684-I789 HydrophobicContact CE2-CD1 4.25Å; L787-I789 HydrophobicContact CD1-CG2 3.75Å; L787-I789 HydrophobicContact CD2-CG2 4.23Å; L787-I789 HydrophobicContact CG-CG2 3.76Å; I789-L795 HydrophobicContact CD1-CD1 4.34Å; I789-L795 HydrophobicContact CD1-CD2 4.24Å; I789-L795 HydrophobicContact CD1-CG 4.06Å; I789-L795 HydrophobicContact CG2-CD2 4.39Å; I789-L916 HydrophobicContact CB-CD2 4.35Å; I789-L916 HydrophobicContact CG2-CD2 3.62Å
790	D	94.9	Very high	94.9	Very high	36 Å²	36	19.1 Å²	19.1	19%	0.193	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	156.9	168.6	-74.1	-15.9	0	0	0	111.1	K668 D792 Y793	K668-D790 WeakPolarHBondContact CE-OD1 3.41Å; K668-D790 IonicContact NZ-OD1 3.67Å; K668-D790 PolarHBondContact NZ-OD1 3.16Å; D790-D792 WeakPolarHBondContact CB-OD1 3.39Å; D790-D792 PolarHBondContact O-N 3Å; D790-Y793 HydrophobicContact CB-CD2 4.42Å; D790-Y793 PolarHBondContact O-N 2.84Å
791	D	92.9	Very high	95.3	Very high	33 Å²	33	17.4 Å²	17.4	18%	0.176	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-3.4	-176.2	67.1	-10	0	0	0	115.1	V667 K668 S669 C670 C673	V667-D791 HydrophobicContact CG1-CB 3.96Å; K668-D791 PolarHBondContact O-N 3.49Å; K668-D791 VanDerWaalsContact O-N 3.1Å; S669-D791 WeakPolarHBondContact CA-OD2 3.31Å; S669-D791 VanDerWaalsContact CB-OD2 3.28Å; S669-D791 WeakPolarHBondContact CB-OD2 3.43Å; S669-D791 PolarHBondContact OG-OD2 3.41Å; C670-D791 PolarHBondContact N-OD2 3.18Å; C670-D791 VanDerWaalsContact N-OD2 3.08Å; C673-D791 WeakPolarHBondContact CB-OD2 3.02Å; C673-D791 PolarHBondContact SG-OD2 3.27Å; C673-D791 VanDerWaalsContact SG-OD2 3.36Å
792	D	88.5	Confident	95.7	Very high	94 Å²	94	17.5 Å²	17.5	50%	0.503	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-4.6	170.7	62.1	-13.7	0	0	0	113.6	D790	D790-D792 WeakPolarHBondContact CB-OD1 3.39Å; D790-D792 PolarHBondContact O-N 3Å
793	Y	95	Very high	96	Very high	19 Å²	19	17 Å²	17	8%	0.075	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	152.9	169.9	-69	-95.3	0	0	0	111.9	D790 I855 I903 L916 T918	D790-Y793 HydrophobicContact CB-CD2 4.42Å; D790-Y793 PolarHBondContact O-N 2.84Å; Y793-I855 HydrophobicContact CD2-CB 4.14Å; Y793-I855 HydrophobicContact CD2-CG2 4.41Å; Y793-I855 HydrophobicContact CE1-CB 4.33Å; Y793-I855 HydrophobicContact CE1-CG2 4.46Å; Y793-I855 HydrophobicContact CE2-CB 3.7Å; Y793-I855 HydrophobicContact CE2-CG2 3.52Å; Y793-I855 WeakPolarHBondContact OH-CG2 3.34Å; Y793-I903 PolarHBondContact OH-O 3.27Å; Y793-I903 VanDerWaalsContact OH-O 3.09Å; Y793-L916 HydrophobicContact CD1-CB 4.45Å; Y793-T918 HydrophobicContact CE1-CG2 4.42Å
794	L	94.9	Very high	96	Very high	8 Å²	8	17.3 Å²	17.3	4%	0.042	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	161.5	176.9	-63.2	88.9	0	0	0	110.1	F679 Y684 L916 I917 R919 A922 W928	F679-L794 HydrophobicContact CD1-CD2 3.85Å; F679-L794 HydrophobicContact CE1-CD1 4.49Å; F679-L794 HydrophobicContact CE1-CD2 3.46Å; F679-L794 VanDerWaalsContact CE1-CD2 3.46Å; Y684-L794 HydrophobicContact CD1-CB 3.72Å; Y684-L794 HydrophobicContact CD1-CD2 3.83Å; Y684-L794 HydrophobicContact CD1-CG 3.86Å; Y684-L794 HydrophobicContact CE1-CB 3.98Å; Y684-L794 HydrophobicContact CE1-CD2 4.16Å; Y684-L794 HydrophobicContact CE1-CG 3.85Å; L794-L916 WeakPolarHBondContact O-CA 3.38Å; L794-I917 HydrophobicContact CB-CD1 4.48Å; L794-I917 HydrophobicContact CB-CG1 3.87Å; L794-I917 PolarHBondContact N-O 2.77Å; L794-I917 PolarHBondContact O-N 3.22Å; L794-R919 HydrophobicContact CD1-CB 4.25Å; L794-A922 HydrophobicContact CD1-CB 4.19Å; L794-A922 HydrophobicContact CD2-CB 3.72Å; L794-A922 HydrophobicContact CG-CB 4.42Å; L794-W928 HydrophobicContact CD2-CZ2 4.23Å
795	L	97	Very high	96	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.6	175	-58.4	178	0	0	0	111.2	V665 Y684 W690 F697 L787 I789 P797 F915 L916	V665-L795 HydrophobicContact CG1-CD1 3.91Å; V665-L795 HydrophobicContact CG2-CD1 3.92Å; Y684-L795 WeakPolarHBondContact CB-O 3.28Å; Y684-L795 HydrophobicContact CD2-CB 3.84Å; Y684-L795 HydrophobicContact CD2-CD1 4.11Å; Y684-L795 HydrophobicContact CD2-CG 3.99Å; Y684-L795 HydrophobicContact CE2-CD1 4.24Å; Y684-L795 HydrophobicContact CE2-CG 4.18Å; Y684-L795 HydrophobicContact CG-CB 4.17Å; W690-L795 HydrophobicContact CH2-CB 4.45Å; W690-L795 HydrophobicContact CH2-CD1 4.22Å; W690-L795 HydrophobicContact CZ2-CB 4.41Å; W690-L795 HydrophobicContact CZ2-CD1 4.4Å; F697-L795 HydrophobicContact CE1-CD1 4.24Å; L787-L795 HydrophobicContact CD2-CD1 3.67Å; L787-L795 HydrophobicContact CD2-CD2 3.66Å; L787-L795 HydrophobicContact CD2-CG 4.34Å; I789-L795 HydrophobicContact CD1-CD1 4.34Å; I789-L795 HydrophobicContact CD1-CD2 4.24Å; I789-L795 HydrophobicContact CD1-CG 4.06Å; I789-L795 HydrophobicContact CG2-CD2 4.39Å; L795-P797 WeakPolarHBondContact O-CD 3.42Å; L795-F915 CarbonylContact C-O 3.57Å; L795-F915 VanDerWaalsContact CA-O 3.32Å; L795-F915 WeakPolarHBondContact CA-O 3.23Å; L795-F915 HydrophobicContact CD2-CD2 3.88Å; L795-F915 HydrophobicContact CD2-CE2 4.1Å; L795-L916 HydrophobicContact CD2-CD2 3.62Å; L795-L916 HydrophobicContact CD2-CG 4.36Å
796	H	96.7	Very high	95.8	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.009	15%	0.145	C	C	.	.			trans	-82.1	112.3	162.7	-173.3	-106.9	0	0	0	109	N798 N799 T800 L910 F915 G931	H796-N798 PolarHBondContact O-N 2.96Å; H796-N799 HydrophobicContact CB-CB 4.24Å; H796-N799 WeakPolarHBondContact ND1-CB 3.28Å; H796-N799 PolarHBondContact ND1-N 3.02Å; H796-N799 PolarHBondContact ND1-ND2 2.91Å; H796-N799 VanDerWaalsContact ND1-ND2 3.2Å; H796-N799 PolarHBondContact ND1-OD1 3.04Å; H796-N799 PolarHBondContact O-N 3.16Å; H796-T800 WeakPolarHBondContact O-CB 3.41Å; H796-T800 PolarHBondContact O-N 3.29Å; H796-T800 PolarHBondContact O-OG1 3Å; H796-L910 HydrophobicContact CB-CD1 4Å; H796-F915 PolarHBondContact N-O 2.88Å; H796-G931 PolarHBondContact NE2-O 2.93Å
797	P	95.5	Very high	95.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.8	-50.2	-168.6	-27.5	37.4	0	0	0	113.5	L689 W690 L795 N799 T800 I801	L689-P797 HydrophobicContact CB-CB 4.33Å; L689-P797 HydrophobicContact CB-CG 3.94Å; L689-P797 HydrophobicContact CD1-CG 4.4Å; W690-P797 HydrophobicContact CD2-CB 4.06Å; W690-P797 HydrophobicContact CE3-CB 4.36Å; W690-P797 HydrophobicContact CH2-CB 4.49Å; W690-P797 HydrophobicContact CZ2-CB 4.17Å; W690-P797 HydrophobicContact CZ2-CG 4.29Å; L795-P797 WeakPolarHBondContact O-CD 3.42Å; P797-N799 PolarHBondContact O-N 3.09Å; P797-T800 WeakPolarHBondContact O-CB 3.3Å; P797-T800 PolarHBondContact O-N 3.13Å; P797-I801 VanDerWaalsContact O-CG1 3.28Å; P797-I801 WeakPolarHBondContact O-CG1 3.44Å; P797-I801 PolarHBondContact O-N 3.23Å
798	N	94.8	Very high	95.6	Very high	25 Å²	25	37.4 Å²	37.4	13%	0.134	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-41.7	-177.8	-69.7	-46.5	0	0	0	112	K691 H796 T800 I801 N802 G931	K691-N798 PolarHBondContact NZ-OD1 2.78Å; K691-N798 VanDerWaalsContact NZ-OD1 3.1Å; H796-N798 PolarHBondContact O-N 2.96Å; N798-T800 VanDerWaalsContact C-N 3.34Å; N798-T800 PolarHBondContact O-N 3.15Å; N798-I801 PolarHBondContact O-N 2.8Å; N798-N802 WeakPolarHBondContact O-CB 3.33Å; N798-N802 PolarHBondContact O-N 3.25Å; N798-N802 PolarHBondContact O-ND2 2.84Å; N798-G931 PolarHBondContact ND2-O 3.35Å; N798-G931 VanDerWaalsContact ND2-O 3.07Å
799	N	95.7	Very high	95.5	Very high	19 Å²	19	44.4 Å²	44.4	10%	0.102	21%	0.206	C	C	.	.	H	α-helix	trans	-67.7	-36.9	178.2	-71.6	-5	0	0	0	111.5	H796 P797 N802 L803 L910 G913 T914 F915	H796-N799 HydrophobicContact CB-CB 4.24Å; H796-N799 WeakPolarHBondContact ND1-CB 3.28Å; H796-N799 PolarHBondContact ND1-N 3.02Å; H796-N799 PolarHBondContact ND1-ND2 2.91Å; H796-N799 VanDerWaalsContact ND1-ND2 3.2Å; H796-N799 PolarHBondContact ND1-OD1 3.04Å; H796-N799 PolarHBondContact O-N 3.16Å; P797-N799 PolarHBondContact O-N 3.09Å; N799-N802 PolarHBondContact O-N 3.09Å; N799-L803 WeakPolarHBondContact O-CB 3.28Å; N799-L803 PolarHBondContact O-N 3.27Å; N799-L910 PolarHBondContact ND2-O 3.47Å; N799-G913 WeakPolarHBondContact ND2-CA 3.15Å; N799-T914 PolarHBondContact ND2-O 3.05Å; N799-F915 HydrophobicContact CB-CB 3.85Å
800	T	97.1	Very high	95.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.7	-47.2	174.9	-52.2	0	0	0	0	110.9	L663 W690 H796 P797 N798 L803 I804 F915	L663-T800 HydrophobicContact CD2-CG2 4.28Å; W690-T800 HydrophobicContact CH2-CG2 3.9Å; W690-T800 HydrophobicContact CZ3-CG2 3.95Å; H796-T800 WeakPolarHBondContact O-CB 3.41Å; H796-T800 PolarHBondContact O-N 3.29Å; H796-T800 PolarHBondContact O-OG1 3Å; P797-T800 WeakPolarHBondContact O-CB 3.3Å; P797-T800 PolarHBondContact O-N 3.13Å; N798-T800 VanDerWaalsContact C-N 3.34Å; N798-T800 PolarHBondContact O-N 3.15Å; T800-L803 PolarHBondContact O-N 3.42Å; T800-I804 HydrophobicContact CG2-CD1 3.94Å; T800-I804 WeakPolarHBondContact O-CG1 3.49Å; T800-I804 PolarHBondContact O-N 3.22Å; T800-F915 HydrophobicContact CG2-CD2 4.36Å
801	I	96.5	Very high	95.6	Very high	5 Å²	5	51 Å²	51	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-61.5	-47.7	178.1	-67.2	166.2	0	0	0	110.7	W690 F693 P797 N798 L803 I804 R805	W690-I801 HydrophobicContact CE3-CD1 4.02Å; W690-I801 HydrophobicContact CE3-CG1 3.91Å; W690-I801 HydrophobicContact CZ3-CG1 4.14Å; F693-I801 HydrophobicContact CB-CD1 3.74Å; F693-I801 HydrophobicContact CB-CG1 3.84Å; F693-I801 HydrophobicContact CD1-CG1 4.03Å; F693-I801 HydrophobicContact CD2-CG1 4.11Å; F693-I801 HydrophobicContact CD2-CG2 4.22Å; F693-I801 HydrophobicContact CG-CD1 4.21Å; F693-I801 HydrophobicContact CG-CG1 3.74Å; P797-I801 VanDerWaalsContact O-CG1 3.28Å; P797-I801 WeakPolarHBondContact O-CG1 3.44Å; P797-I801 PolarHBondContact O-N 3.23Å; N798-I801 PolarHBondContact O-N 2.8Å; I801-L803 VanDerWaalsContact C-N 3.29Å; I801-L803 PolarHBondContact O-N 2.84Å; I801-I804 PolarHBondContact O-N 3.03Å; I801-R805 HydrophobicContact CG2-CG 4.33Å; I801-R805 VanDerWaalsContact CG2-CZ 3.42Å; I801-R805 WeakPolarHBondContact O-CB 3.3Å; I801-R805 WeakPolarHBondContact O-CG 3.37Å; I801-R805 PolarHBondContact O-N 2.82Å
802	N	95.6	Very high	95.8	Very high	90 Å²	90	50.2 Å²	50.2	48%	0.481	24%	0.24	S	C	.	.	H	α-helix	trans	-61.9	-37.9	-179.6	-71.3	-14.4	0	0	0	112	N798 N799	N798-N802 WeakPolarHBondContact O-CB 3.33Å; N798-N802 PolarHBondContact O-N 3.25Å; N798-N802 PolarHBondContact O-ND2 2.84Å; N799-N802 PolarHBondContact O-N 3.09Å
803	L	96.1	Very high	96.3	Very high	12 Å²	12	48.4 Å²	48.4	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-50.3	174.7	177.1	63.1	0	0	0	111.7	N799 T800 I801 R805 K806 F807 F858 L898 F915	N799-L803 WeakPolarHBondContact O-CB 3.28Å; N799-L803 PolarHBondContact O-N 3.27Å; T800-L803 PolarHBondContact O-N 3.42Å; I801-L803 VanDerWaalsContact C-N 3.29Å; I801-L803 PolarHBondContact O-N 2.84Å; L803-R805 VanDerWaalsContact C-N 3.31Å; L803-R805 PolarHBondContact O-N 2.63Å; L803-K806 WeakPolarHBondContact O-CB 3.39Å; L803-K806 PolarHBondContact O-N 2.02Å; L803-F807 HydrophobicContact CD1-CE2 4.46Å; L803-F858 HydrophobicContact CD2-CE2 3.85Å; L803-F858 HydrophobicContact CD2-CZ 4.36Å; L803-L898 HydrophobicContact CD1-CD2 4.35Å; L803-L898 HydrophobicContact CD2-CD1 4.22Å; L803-F915 HydrophobicContact CD2-CD1 3.57Å; L803-F915 HydrophobicContact CD2-CE1 3.46Å; L803-F915 VanDerWaalsContact CD2-CE1 3.46Å; L803-F915 HydrophobicContact CD2-CG 4.31Å; L803-F915 HydrophobicContact CD2-CZ 4.14Å
804	I	96.8	Very high	96.4	Very high	9 Å²	9	50 Å²	50	5%	0.046	24%	0.242	C	C	.	.	H	α-helix	trans	-64.3	-37.2	-176.4	-68.4	171.3	0	0	0	111.3	L663 F693 L785 T800 I801 K806 F807 L812 F858	L663-I804 HydrophobicContact CB-CD1 4.49Å; L663-I804 HydrophobicContact CD1-CD1 4.28Å; L663-I804 HydrophobicContact CD2-CD1 3.77Å; L663-I804 HydrophobicContact CG-CD1 4.41Å; F693-I804 HydrophobicContact CE1-CD1 4.38Å; F693-I804 HydrophobicContact CE2-CG2 4.1Å; F693-I804 HydrophobicContact CZ-CB 4.44Å; F693-I804 HydrophobicContact CZ-CD1 3.74Å; F693-I804 HydrophobicContact CZ-CG2 4.09Å; L785-I804 HydrophobicContact CD2-CD1 3.93Å; L785-I804 HydrophobicContact CD2-CG1 3.93Å; L785-I804 HydrophobicContact CD2-CG2 4.23Å; T800-I804 HydrophobicContact CG2-CD1 3.94Å; T800-I804 WeakPolarHBondContact O-CG1 3.49Å; T800-I804 PolarHBondContact O-N 3.22Å; I801-I804 PolarHBondContact O-N 3.03Å; I804-K806 PolarHBondContact O-N 3.36Å; I804-K806 VanDerWaalsContact O-N 3.12Å; I804-F807 PolarHBondContact O-N 3.4Å; I804-F807 VanDerWaalsContact O-N 3.08Å; I804-L812 HydrophobicContact CG2-CD1 4.31Å; I804-L812 HydrophobicContact CG2-CD2 4.06Å; I804-F858 HydrophobicContact CD1-CE1 4.09Å; I804-F858 HydrophobicContact CD1-CZ 4.44Å; I804-F858 HydrophobicContact CG1-CE1 4.3Å; I804-F858 HydrophobicContact CG1-CZ 4.4Å
805	R	95.9	Very high	96.6	Very high	147 Å²	147	50.3 Å²	50.3	56%	0.555	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.4	178.2	-76.8	178.2	175	165.1	0.5	114.4	N692 I801 L803 F807	N692-R805 PolarHBondContact OD1-NH2 2.88Å; I801-R805 HydrophobicContact CG2-CG 4.33Å; I801-R805 VanDerWaalsContact CG2-CZ 3.42Å; I801-R805 WeakPolarHBondContact O-CB 3.3Å; I801-R805 WeakPolarHBondContact O-CG 3.37Å; I801-R805 PolarHBondContact O-N 2.82Å; L803-R805 VanDerWaalsContact C-N 3.31Å; L803-R805 PolarHBondContact O-N 2.63Å; R805-F807 PolarHBondContact O-N 3.26Å
806	K	95.5	Very high	96.6	Very high	146 Å²	146	50.5 Å²	50.5	64%	0.635	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-14.9	173	-63	-179.6	-179.5	-177.9	0	113.1	L803 I804	L803-K806 WeakPolarHBondContact O-CB 3.39Å; L803-K806 PolarHBondContact O-N 2.02Å; I804-K806 PolarHBondContact O-N 3.36Å; I804-K806 VanDerWaalsContact O-N 3.12Å
807	F	96.6	Very high	96.7	Very high	52 Å²	52	50.4 Å²	50.4	23%	0.228	25%	0.245	C	C	.	.	S	Bend	trans	-110.9	140.5	-177.6	-59.1	-87	0	0	0	111	L803 I804 R805 Q811 L812 L815	L803-F807 HydrophobicContact CD1-CE2 4.46Å; I804-F807 PolarHBondContact O-N 3.4Å; I804-F807 VanDerWaalsContact O-N 3.08Å; R805-F807 PolarHBondContact O-N 3.26Å; F807-Q811 HydrophobicContact CB-CB 4.21Å; F807-Q811 HydrophobicContact CD1-CB 4.26Å; F807-L812 HydrophobicContact CB-CD2 3.67Å; F807-L812 HydrophobicContact CB-CG 3.87Å; F807-L812 HydrophobicContact CD2-CD2 4.48Å; F807-L812 HydrophobicContact CG-CD2 4.31Å; F807-L815 HydrophobicContact CD1-CD1 4.36Å; F807-L815 HydrophobicContact CE1-CD1 3.95Å; F807-L815 HydrophobicContact CE2-CD2 4.5Å; F807-L815 HydrophobicContact CZ-CD1 4.36Å; F807-L815 HydrophobicContact CZ-CD2 4.48Å
808	N	96.7	Very high	96.8	Very high	88 Å²	88	50.4 Å²	50.4	47%	0.471	25%	0.245	S	C	.	.			trans	-79.1	167.4	169.7	72.4	42.2	0	0	0	111.6	S810 Q811 L812	N808-S810 VanDerWaalsContact C-N 3.33Å; N808-S810 PolarHBondContact O-N 3.47Å; N808-S810 PolarHBondContact OD1-N 3.46Å; N808-S810 VanDerWaalsContact OD1-N 3.15Å; N808-Q811 PolarHBondContact ND2-OE1 3.44Å; N808-Q811 WeakPolarHBondContact O-CB 3.33Å; N808-Q811 PolarHBondContact O-N 3.34Å; N808-Q811 VanDerWaalsContact O-N 3.17Å; N808-Q811 WeakPolarHBondContact OD1-CG 3.48Å; N808-Q811 PolarHBondContact OD1-N 3.48Å; N808-L812 WeakPolarHBondContact O-CG 3.43Å; N808-L812 PolarHBondContact O-N 2.9Å
809	Y	95.5	Very high	96.8	Very high	148 Å²	148	49.9 Å²	49.9	58%	0.58	24%	0.243	S	C	*	.	H	α-helix	trans	-56.3	-41.3	-175.3	-174.6	-94.3	0	0	0	113.9	P784 L812 K813	P784-Y809 HydrophobicContact CB-CD2 4.1Å; P784-Y809 HydrophobicContact CB-CE2 3.66Å; P784-Y809 HydrophobicContact CG-CD2 4.21Å; P784-Y809 HydrophobicContact CG-CE2 3.87Å; Y809-L812 PolarHBondContact O-N 3.38Å; Y809-K813 HydrophobicContact CD1-CD 4.19Å; Y809-K813 HydrophobicContact CE1-CD 3.55Å; Y809-K813 HydrophobicContact CE1-CG 4.14Å; Y809-K813 PolarHBondContact O-N 3.35Å
810	S	96.4	Very high	96.9	Very high	86 Å²	86	50.3 Å²	50.3	60%	0.601	25%	0.246	S	C	*	.	H	α-helix	trans	-68.2	-41.6	179.2	-171.1	0	0	0	0	111.9	N808 L812 K813 S814	N808-S810 VanDerWaalsContact C-N 3.33Å; N808-S810 PolarHBondContact O-N 3.47Å; N808-S810 PolarHBondContact OD1-N 3.46Å; N808-S810 VanDerWaalsContact OD1-N 3.15Å; S810-L812 VanDerWaalsContact C-N 3.34Å; S810-K813 PolarHBondContact O-N 2.99Å; S810-S814 PolarHBondContact O-N 3.13Å; S810-S814 PolarHBondContact O-OG 3.36Å
811	Q	97.6	Very high	96.7	Very high	88 Å²	88	55.8 Å²	55.8	41%	0.411	27%	0.268	S	S	.	.	H	α-helix	trans	-60	-46.6	175	-72.7	169.6	-34.6	0	0	110.2	F807 N808 K813 S814 L815	F807-Q811 HydrophobicContact CB-CB 4.21Å; F807-Q811 HydrophobicContact CD1-CB 4.26Å; N808-Q811 PolarHBondContact ND2-OE1 3.44Å; N808-Q811 WeakPolarHBondContact O-CB 3.33Å; N808-Q811 PolarHBondContact O-N 3.34Å; N808-Q811 VanDerWaalsContact O-N 3.17Å; N808-Q811 WeakPolarHBondContact OD1-CG 3.48Å; N808-Q811 PolarHBondContact OD1-N 3.48Å; Q811-K813 PolarHBondContact O-N 2.85Å; Q811-S814 CarbonylContact O-C 3.56Å; Q811-S814 PolarHBondContact O-N 3.26Å; Q811-S814 VanDerWaalsContact O-N 3.12Å; Q811-S814 PolarHBondContact O-OG 2.88Å; Q811-S814 VanDerWaalsContact O-OG 3.04Å; Q811-L815 WeakPolarHBondContact O-CB 3.48Å; Q811-L815 PolarHBondContact O-N 2.93Å
812	L	98.1	Very high	96.3	Very high	16 Å²	16	59.2 Å²	59.2	8%	0.084	28%	0.283	C	S	.	.	H	α-helix	trans	-55.3	-46.5	178.3	-70.2	174	0	0	0	112.6	P784 L785 I804 F807 N808 Y809 S810 S814 L815 G860	P784-L812 HydrophobicContact CB-CB 4.35Å; L785-L812 HydrophobicContact CD1-CD2 4.31Å; L785-L812 HydrophobicContact CD2-CD2 3.74Å; L785-L812 HydrophobicContact CG-CD2 4.42Å; I804-L812 HydrophobicContact CG2-CD1 4.31Å; I804-L812 HydrophobicContact CG2-CD2 4.06Å; F807-L812 HydrophobicContact CB-CD2 3.67Å; F807-L812 HydrophobicContact CB-CG 3.87Å; F807-L812 HydrophobicContact CD2-CD2 4.48Å; F807-L812 HydrophobicContact CG-CD2 4.31Å; N808-L812 WeakPolarHBondContact O-CG 3.43Å; N808-L812 PolarHBondContact O-N 2.9Å; Y809-L812 PolarHBondContact O-N 3.38Å; S810-L812 VanDerWaalsContact C-N 3.34Å; L812-S814 PolarHBondContact O-N 2.99Å; L812-L815 WeakPolarHBondContact O-CB 3.35Å; L812-L815 PolarHBondContact O-N 3.21Å; L812-G860 WeakPolarHBondContact O-CA 3.49Å
813	K	97.9	Very high	95.8	Very high	56 Å²	56	55.2 Å²	55.2	24%	0.243	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-30.4	179.7	-71.2	-169.7	68.8	-116.3	0	113.9	P784 Y809 S810 Q811 G860 A861 D862	P784-K813 HydrophobicContact CB-CG 3.88Å; Y809-K813 HydrophobicContact CD1-CD 4.19Å; Y809-K813 HydrophobicContact CE1-CD 3.55Å; Y809-K813 HydrophobicContact CE1-CG 4.14Å; Y809-K813 PolarHBondContact O-N 3.35Å; S810-K813 PolarHBondContact O-N 2.99Å; Q811-K813 PolarHBondContact O-N 2.85Å; K813-G860 CarbonylContact O-C 3.17Å; K813-G860 VanDerWaalsContact O-CA 3.25Å; K813-G860 WeakPolarHBondContact O-CA 3.43Å; K813-A861 PolarHBondContact O-N 3.47Å; K813-D862 WeakPolarHBondContact CB-OD2 3.46Å; K813-D862 WeakPolarHBondContact CE-OD1 3.43Å; K813-D862 IonicContact NZ-OD1 2.7Å; K813-D862 PolarHBondContact NZ-OD1 3.06Å; K813-D862 IonicContact NZ-OD2 3.74Å; K813-D862 PolarHBondContact NZ-OD2 3.43Å; K813-D862 WeakPolarHBondContact O-CB 3.41Å; K813-D862 PolarHBondContact O-N 2.92Å
814	S	97.6	Very high	95.5	Very high	54 Å²	54	58.1 Å²	58.1	38%	0.378	28%	0.284	S	S	.	.	H	α-helix	trans	-98.5	-2.6	-178	68.7	0	0	0	0	114.4	S810 Q811 L812 V863	S810-S814 PolarHBondContact O-N 3.13Å; S810-S814 PolarHBondContact O-OG 3.36Å; Q811-S814 CarbonylContact O-C 3.56Å; Q811-S814 PolarHBondContact O-N 3.26Å; Q811-S814 VanDerWaalsContact O-N 3.12Å; Q811-S814 PolarHBondContact O-OG 2.88Å; Q811-S814 VanDerWaalsContact O-OG 3.04Å; L812-S814 PolarHBondContact O-N 2.99Å; S814-V863 WeakPolarHBondContact O-CG2 3.32Å
815	L	98.2	Very high	95.3	Very high	14 Å²	14	58.1 Å²	58.1	7%	0.073	28%	0.284	C	S	.	.			trans	-69.4	135.7	-169.5	-170	64.4	0	0	0	111.8	L785 F807 Q811 L812 A817 F858 L859 G860 V863	L785-L815 HydrophobicContact CD1-CB 4.47Å; L785-L815 HydrophobicContact CD1-CD2 4.15Å; F807-L815 HydrophobicContact CD1-CD1 4.36Å; F807-L815 HydrophobicContact CE1-CD1 3.95Å; F807-L815 HydrophobicContact CE2-CD2 4.5Å; F807-L815 HydrophobicContact CZ-CD1 4.36Å; F807-L815 HydrophobicContact CZ-CD2 4.48Å; Q811-L815 WeakPolarHBondContact O-CB 3.48Å; Q811-L815 PolarHBondContact O-N 2.93Å; L812-L815 WeakPolarHBondContact O-CB 3.35Å; L812-L815 PolarHBondContact O-N 3.21Å; L815-A817 HydrophobicContact CD1-CB 3.85Å; L815-A817 HydrophobicContact CD2-CB 4.02Å; L815-A817 HydrophobicContact CG-CB 3.77Å; L815-F858 HydrophobicContact CD2-CB 4.28Å; L815-L859 CarbonylContact O-C 3.57Å; L815-L859 WeakPolarHBondContact O-CA 3.33Å; L815-G860 PolarHBondContact O-N 3.2Å; L815-V863 WeakPolarHBondContact O-CG2 3.27Å
816	A	98.4	Very high	95.2	Very high	3 Å²	3	54 Å²	54	3%	0.025	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	104.8	160.2	0	0	0	0	0	106.5	F852 F858 L859 V863 L888 L895 T896	A816-F852 VanDerWaalsContact C-CZ 3.41Å; A816-F852 HydrophobicContact CB-CE2 4.29Å; A816-F852 HydrophobicContact CB-CZ 4.07Å; A816-F858 WeakPolarHBondContact CA-O 3.38Å; A816-L859 HydrophobicContact CB-CD2 4.3Å; A816-V863 HydrophobicContact CB-CG1 4.39Å; A816-L888 HydrophobicContact CB-CD1 4.44Å; A816-L895 HydrophobicContact CB-CD2 4.29Å; A816-T896 PolarHBondContact O-N 3.14Å
817	A	98.2	Very high	95	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	142.1	-170.9	0	0	0	0	0	113	L815 Y857 F858 T896 L898	L815-A817 HydrophobicContact CD1-CB 3.85Å; L815-A817 HydrophobicContact CD2-CB 4.02Å; L815-A817 HydrophobicContact CG-CB 3.77Å; A817-Y857 CarbonylContact O-C 3.57Å; A817-Y857 WeakPolarHBondContact O-CA 3.47Å; A817-F858 HydrophobicContact CB-CB 4.41Å; A817-F858 PolarHBondContact N-O 3.41Å; A817-F858 PolarHBondContact O-N 3.27Å; A817-T896 VanDerWaalsContact CA-O 3.23Å; A817-T896 WeakPolarHBondContact CA-O 3.28Å; A817-T896 HydrophobicContact CB-CG2 4.37Å; A817-L898 HydrophobicContact CB-CD1 3.86Å; A817-L898 HydrophobicContact CB-CD2 4.19Å; A817-L898 HydrophobicContact CB-CG 3.96Å
818	G	97	Very high	94.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-168.5	-178	0	0	0	0	0	111.7	V820 F852 T896 H897 L898	G818-V820 PolarHBondContact O-N 3.44Å; G818-F852 VanDerWaalsContact N-CE1 3.29Å; G818-T896 PolarHBondContact N-O 3.33Å; G818-H897 CarbonylContact O-C 3.46Å; G818-H897 WeakPolarHBondContact O-CA 3.38Å; G818-L898 PolarHBondContact O-N 2.85Å
819	S	96.1	Very high	94.2	Very high	14 Å²	14	53.5 Å²	53.5	10%	0.098	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	91.8	171.4	177.2	0	0	0	0	109.7	Y821 F852 L853	S819-Y821 PolarHBondContact O-N 2.92Å; S819-F852 CarbonylContact O-C 3.58Å; S819-F852 WeakPolarHBondContact O-CA 3.37Å; S819-L853 PolarHBondContact O-N 3.49Å; S819-L853 WeakPolarHBondContact OG-CD1 3.48Å
820	V	96.8	Very high	93.8	Very high	29 Å²	29	54.1 Å²	54.1	18%	0.176	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	126.8	179.4	-179	0	0	0	0	110.6	G818 R850 Y851 F852 L895 H897	G818-V820 PolarHBondContact O-N 3.44Å; V820-R850 HydrophobicContact CG1-CB 4.11Å; V820-R850 HydrophobicContact CG1-CG 4.39Å; V820-Y851 CarbonylContact C-O 3.59Å; V820-Y851 WeakPolarHBondContact CA-O 3.48Å; V820-F852 HydrophobicContact CG2-CD1 3.86Å; V820-F852 HydrophobicContact CG2-CE1 3.61Å; V820-L895 HydrophobicContact CG1-CB 4.4Å; V820-L895 HydrophobicContact CG1-CD1 4.41Å; V820-L895 HydrophobicContact CG2-CB 3.69Å; V820-H897 HydrophobicContact CB-CB 4.18Å; V820-H897 HydrophobicContact CG2-CB 4.04Å; V820-H897 PolarHBondContact N-ND1 3.12Å; V820-H897 VanDerWaalsContact N-ND1 3.13Å; V820-H897 PolarHBondContact O-ND1 2.8Å
821	Y	93.3	Very high	93	Very high	114 Å²	114	51.6 Å²	51.6	45%	0.447	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	151.3	178.1	-173	-100.7	0	0	0	111.1	S819 R850 Y851 L853	S819-Y821 PolarHBondContact O-N 2.92Å; Y821-R850 WeakPolarHBondContact O-CA 3.34Å; Y821-Y851 AromaticContact CD1-CE1 3.63Å; Y821-Y851 HydrophobicContact CD1-CE1 3.63Å; Y821-Y851 HydrophobicContact CD1-CE2 4.38Å; Y821-Y851 AromaticContact CD1-CZ 3.49Å; Y821-Y851 VanDerWaalsContact CD1-CZ 3.49Å; Y821-Y851 WeakPolarHBondContact CD1-OH 3.35Å; Y821-Y851 HydrophobicContact CE1-CE1 4.38Å; Y821-Y851 WeakPolarHBondContact CE1-OH 3.41Å; Y821-Y851 PolarHBondContact N-O 3.27Å; Y821-Y851 PolarHBondContact O-N 2.8Å; Y821-Y851 VanDerWaalsContact O-N 3.12Å; Y821-L853 HydrophobicContact CD1-CD2 4.43Å; Y821-L853 HydrophobicContact CD2-CD2 4.23Å; Y821-L853 HydrophobicContact CG-CD2 3.89Å
822	F	89	Confident	92.3	Very high	78 Å²	78	54.3 Å²	54.3	34%	0.342	27%	0.273	S	S	.	.			trans	-134.9	123.6	171.5	176.4	-113.6	0	0	0	107.5	L609 E611 Y847 Y848 R850	L609-F822 HydrophobicContact CD1-CE1 4.34Å; L609-F822 HydrophobicContact CD1-CZ 4.25Å; E611-F822 HydrophobicContact CG-CE2 4.42Å; F822-Y847 HydrophobicContact CE1-CD1 4.23Å; F822-Y847 HydrophobicContact CE2-CD1 4.4Å; F822-Y847 AromaticContact CZ-CD1 3.86Å; F822-Y847 HydrophobicContact CZ-CD1 3.86Å; F822-Y847 HydrophobicContact CZ-CG 4.39Å; F822-Y848 WeakPolarHBondContact CE2-O 3.42Å; F822-R850 HydrophobicContact CB-CG 4.22Å; F822-R850 HydrophobicContact CD2-CG 4.34Å
823	G	84.1	Confident	91.7	Very high	6 Å²	6	54.4 Å²	54.4	6%	0.062	28%	0.278	C	S	.	.			trans	-158.4	163.4	-176.3	0	0	0	0	0	113.5	Y848	G823-Y848 PolarHBondContact O-N 2.9Å
824	S	89.3	Confident	91.2	Very high	73 Å²	73	53.7 Å²	53.7	51%	0.51	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-71.7	156	173.2	53.2	0	0	0	0	111.3	D826 D846	S824-D826 PolarHBondContact O-N 3.18Å; S824-D846 CarbonylContact C-O 3.59Å; S824-D846 VanDerWaalsContact CA-O 3.25Å; S824-D846 WeakPolarHBondContact CA-O 3.49Å
825	V	92.8	Very high	90.8	Very high	9 Å²	9	55.8 Å²	55.8	6%	0.055	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-71.7	124.9	172.4	178.2	0	0	0	0	109.4	R827 V838 Y843 W845 D846 Y848	V825-R827 PolarHBondContact O-N 3.08Å; V825-V838 HydrophobicContact CG1-CB 3.82Å; V825-V838 HydrophobicContact CG1-CG1 4.39Å; V825-Y843 HydrophobicContact CG2-CD1 3.73Å; V825-Y843 HydrophobicContact CG2-CE1 3.79Å; V825-W845 VanDerWaalsContact CG2-O 3.29Å; V825-W845 WeakPolarHBondContact CG2-O 3.11Å; V825-D846 PolarHBondContact N-O 3Å; V825-Y848 HydrophobicContact CB-CE1 4.3Å; V825-Y848 HydrophobicContact CB-CE2 4.27Å; V825-Y848 HydrophobicContact CG1-CE1 4.32Å; V825-Y848 WeakPolarHBondContact CG1-OH 3.36Å; V825-Y848 HydrophobicContact CG2-CD1 3.7Å; V825-Y848 HydrophobicContact CG2-CD2 4.13Å; V825-Y848 HydrophobicContact CG2-CE1 3.29Å; V825-Y848 HydrophobicContact CG2-CE2 3.81Å; V825-Y848 HydrophobicContact CG2-CG 4.11Å
826	D	93.4	Very high	90.5	Very high	60 Å²	60	61.3 Å²	61.3	32%	0.321	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-65.7	119.7	169.5	-178	26.3	0	0	0	109	S824 A837 V838	S824-D826 PolarHBondContact O-N 3.18Å; D826-A837 CarbonylContact O-C 3.57Å; D826-A837 VanDerWaalsContact O-CA 3.3Å; D826-A837 WeakPolarHBondContact O-CA 3.37Å; D826-A837 PolarHBondContact OD2-N 3.27Å; D826-V838 PolarHBondContact O-N 3.15Å
827	R	92.3	Very high	90.2	Very high	39 Å²	39	61.2 Å²	61.2	15%	0.147	31%	0.305	C	S	.	.			trans	-105.1	137.3	-176.5	-65	-59.8	-168.1	-168.7	0.4	110.1	V825 V838 S839 Y840 Y843 W845 D846	V825-R827 PolarHBondContact O-N 3.08Å; R827-V838 WeakPolarHBondContact CD-O 3.31Å; R827-V838 PolarHBondContact NH1-O 2.96Å; R827-V838 VanDerWaalsContact NH1-O 3.12Å; R827-S839 PolarHBondContact NH1-O 3.44Å; R827-Y840 VanDerWaalsContact NH2-CD1 3.26Å; R827-Y843 PolarHBondContact NH1-O 3.34Å; R827-Y843 PolarHBondContact NH2-O 3.2Å; R827-W845 VanDerWaalsContact NH2-C 3.26Å; R827-W845 PolarHBondContact NH2-O 3.35Å; R827-D846 IonicContact CZ-OD1 2.76Å; R827-D846 IonicContact NE-OD1 3.1Å; R827-D846 IonicContact NH2-OD1 2.66Å; R827-D846 PolarHBondContact NH2-OD1 3.15Å
828	P	89.4	Confident	89.9	Confident	40 Å²	40	61.2 Å²	61.2	26%	0.26	31%	0.305	S	S	.	.			trans	-62	142.8	174.9	28.8	-36.1	0	0	0	111.1	F717 Y832	F717-P828 HydrophobicContact CB-CB 3.61Å; F717-P828 HydrophobicContact CB-CG 4.21Å; F717-P828 HydrophobicContact CD1-CB 3.76Å; F717-P828 HydrophobicContact CD1-CG 3.58Å; F717-P828 HydrophobicContact CD2-CB 3.75Å; F717-P828 HydrophobicContact CD2-CG 4.43Å; F717-P828 HydrophobicContact CE1-CB 4.36Å; F717-P828 HydrophobicContact CE1-CG 4.02Å; F717-P828 HydrophobicContact CE2-CB 4.35Å; F717-P828 HydrophobicContact CG-CB 3.42Å; F717-P828 VanDerWaalsContact CG-CB 3.42Å; F717-P828 HydrophobicContact CG-CG 3.83Å; P828-Y832 CarbonylContact C-O 3.49Å; P828-Y832 VanDerWaalsContact CA-O 3.26Å; P828-Y832 WeakPolarHBondContact CA-O 3.08Å; P828-Y832 WeakPolarHBondContact CB-O 3.28Å
829	R	87.9	Confident	89.5	Confident	196 Å²	196	61.7 Å²	61.7	74%	0.74	31%	0.308	S	S	*	.	B	Isolated β-bridge	trans	-121.1	131.5	177.5	-59.6	-178.6	-168.4	164.1	2.8	109.2	G831 Y832	R829-G831 PolarHBondContact O-N 3.44Å; R829-G831 VanDerWaalsContact O-N 3.14Å; R829-Y832 PolarHBondContact N-O 2.94Å; R829-Y832 PolarHBondContact O-N 3.28Å
830	N	85.3	Confident	89	Confident	162 Å²	162	66.3 Å²	66.3	87%	0.866	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	34.2	177.1	-57	-25.2	0	0	0	114.4	Y832	N830-Y832 VanDerWaalsContact C-N 3.29Å; N830-Y832 VanDerWaalsContact O-CD2 3.24Å; N830-Y832 WeakPolarHBondContact O-CD2 3.46Å; N830-Y832 PolarHBondContact O-N 3Å
831	G	79.4	Confident	88.4	Confident	33 Å²	33	67.3 Å²	67.3	34%	0.34	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	5.9	-178.5	0	0	0	0	0	115	F717 M718 R829	F717-G831 CarbonylContact C-O 3.57Å; F717-G831 WeakPolarHBondContact CA-O 3.28Å; F717-G831 WeakPolarHBondContact CB-O 3.37Å; M718-G831 PolarHBondContact N-O 2.87Å; R829-G831 PolarHBondContact O-N 3.44Å; R829-G831 VanDerWaalsContact O-N 3.14Å
832	Y	83.5	Confident	88	Confident	145 Å²	145	62.9 Å²	62.9	57%	0.569	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	148.6	175.1	-62.9	-89.1	0	0	0	110.6	M718 P828 R829 N830	M718-Y832 HydrophobicContact CB-CD1 4.3Å; M718-Y832 HydrophobicContact CE-CD1 4.22Å; M718-Y832 HydrophobicContact CE-CE1 3.41Å; M718-Y832 VanDerWaalsContact CE-CE1 3.41Å; M718-Y832 CarbonylContact O-C 3.53Å; M718-Y832 WeakPolarHBondContact O-CA 3.49Å; P828-Y832 CarbonylContact C-O 3.49Å; P828-Y832 VanDerWaalsContact CA-O 3.26Å; P828-Y832 WeakPolarHBondContact CA-O 3.08Å; P828-Y832 WeakPolarHBondContact CB-O 3.28Å; R829-Y832 PolarHBondContact N-O 2.94Å; R829-Y832 PolarHBondContact O-N 3.28Å; N830-Y832 VanDerWaalsContact C-N 3.29Å; N830-Y832 VanDerWaalsContact O-CD2 3.24Å; N830-Y832 WeakPolarHBondContact O-CD2 3.46Å; N830-Y832 PolarHBondContact O-N 3Å
833	G	84.9	Confident	88	Confident	18 Å²	18	59.1 Å²	59.1	19%	0.186	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	151.9	176.5	0	0	0	0	0	111.6	M718 T719 A837	M718-G833 PolarHBondContact O-N 2.75Å; T719-G833 WeakPolarHBondContact CA-O 3.48Å; T719-G833 WeakPolarHBondContact CB-O 3.37Å; T719-G833 PolarHBondContact OG1-O 3.41Å; G833-A837 VanDerWaalsContact CA-CB 3.49Å
834	G	88.7	Confident	88.1	Confident	40 Å²	40	60 Å²	60	41%	0.412	30%	0.3	S	S	.	.			trans	-62.4	175.2	169.9	0	0	0	0	0	111.7	T719 W836 A837	T719-G834 VanDerWaalsContact OG1-C 3.26Å; T719-G834 PolarHBondContact OG1-O 2.89Å; G834-W836 PolarHBondContact O-N 3.33Å; G834-W836 VanDerWaalsContact O-N 3.07Å; G834-A837 WeakPolarHBondContact O-CB 3.19Å; G834-A837 PolarHBondContact O-N 2.99Å
835	R	89.5	Confident	88	Confident	99 Å²	99	56.9 Å²	56.9	37%	0.374	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.3	177	65.3	176.8	177.2	-179	-2.4	113.6	T719 L721 Y761 F762	T719-R835 WeakPolarHBondContact OG1-CA 3.3Å; T719-R835 PolarHBondContact OG1-N 3.39Å; L721-R835 HydrophobicContact CD2-CB 3.84Å; Y761-R835 HydrophobicContact CE1-CB 4.1Å; Y761-R835 HydrophobicContact CE1-CG 4.42Å; F762-R835 WeakPolarHBondContact CE1-O 3.42Å
836	W	91.9	Very high	87.8	Confident	130 Å²	130	59.1 Å²	59.1	49%	0.492	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	4.2	179	-53.9	-47.3	0	0	0	113.5	Y761 G834 I879	Y761-W836 PolarHBondContact OH-NE1 2.89Å; G834-W836 PolarHBondContact O-N 3.33Å; G834-W836 VanDerWaalsContact O-N 3.07Å; W836-I879 HydrophobicContact CB-CD1 4.32Å; W836-I879 WeakPolarHBondContact O-CD1 3.09Å
837	A	92.1	Very high	87.7	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.008	28%	0.284	C	S	.	.			trans	-68.5	135.6	-179	0	0	0	0	0	111.5	F717 D826 G833 G834 R878	F717-A837 HydrophobicContact CD2-CB 4.5Å; F717-A837 HydrophobicContact CE2-CB 3.76Å; F717-A837 HydrophobicContact CZ-CB 4.14Å; F717-A837 WeakPolarHBondContact CZ-O 3.32Å; D826-A837 CarbonylContact O-C 3.57Å; D826-A837 VanDerWaalsContact O-CA 3.3Å; D826-A837 WeakPolarHBondContact O-CA 3.37Å; D826-A837 PolarHBondContact OD2-N 3.27Å; G833-A837 VanDerWaalsContact CA-CB 3.49Å; G834-A837 WeakPolarHBondContact O-CB 3.19Å; G834-A837 PolarHBondContact O-N 2.99Å; A837-R878 PolarHBondContact O-NH2 2.96Å
838	V	91.4	Very high	87.7	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.279	C	S	.	.			trans	-134.1	127.8	-177.3	178.3	0	0	0	0	110.2	V825 D826 R827 E842 Y848 M877 I879	V825-V838 HydrophobicContact CG1-CB 3.82Å; V825-V838 HydrophobicContact CG1-CG1 4.39Å; D826-V838 PolarHBondContact O-N 3.15Å; R827-V838 WeakPolarHBondContact CD-O 3.31Å; R827-V838 PolarHBondContact NH1-O 2.96Å; R827-V838 VanDerWaalsContact NH1-O 3.12Å; V838-E842 HydrophobicContact CG1-CB 3.8Å; V838-E842 HydrophobicContact CG1-CG 3.79Å; V838-Y848 WeakPolarHBondContact CG2-OH 3.34Å; V838-M877 HydrophobicContact CG1-CE 4.31Å; V838-I879 HydrophobicContact CG2-CD1 3.55Å; V838-I879 HydrophobicContact CG2-CG1 4.25Å
839	S	88.1	Confident	87.8	Confident	10 Å²	10	55.7 Å²	55.7	7%	0.07	27%	0.267	C	S	.	.			trans	-72.9	160.8	178.6	87	0	0	0	0	111.6	D715 R827 N841 E842 Y843	D715-S839 WeakPolarHBondContact CB-OG 3.3Å; D715-S839 VanDerWaalsContact CG-OG 3.31Å; D715-S839 PolarHBondContact OD2-OG 3.2Å; R827-S839 PolarHBondContact NH1-O 3.44Å; S839-N841 PolarHBondContact O-N 2.93Å; S839-N841 WeakPolarHBondContact OG-CB 3.36Å; S839-N841 PolarHBondContact OG-N 3.32Å; S839-E842 PolarHBondContact O-N 3.3Å; S839-E842 PolarHBondContact OG-N 3.2Å; S839-Y843 PolarHBondContact O-N 2.8Å
840	Y	85.9	Confident	88.1	Confident	111 Å²	111	53 Å²	53	44%	0.435	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-23.7	169.3	-73.9	-80.1	0	0	0	113.4	R827 Y843 P844 D846	R827-Y840 VanDerWaalsContact NH2-CD1 3.26Å; Y840-Y843 WeakPolarHBondContact CA-O 3.49Å; Y840-Y843 CarbonylContact O-C 3.57Å; Y840-P844 WeakPolarHBondContact CD1-O 3.27Å; Y840-P844 WeakPolarHBondContact O-CA 3.43Å; Y840-D846 VanDerWaalsContact CE1-OD1 3.26Å; Y840-D846 WeakPolarHBondContact CE1-OD1 3.4Å; Y840-D846 PolarHBondContact OH-OD1 2.53Å
841	N	83.2	Confident	88.7	Confident	49 Å²	49	46.5 Å²	46.5	26%	0.262	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-38.8	176.5	-74.6	-32	0	0	0	111.5	S51 M585 S839	S51-N841 PolarHBondContact OG-ND2 2.8Å; M585-N841 WeakPolarHBondContact CE-OD1 3.35Å; S839-N841 PolarHBondContact O-N 2.93Å; S839-N841 WeakPolarHBondContact OG-CB 3.36Å; S839-N841 PolarHBondContact OG-N 3.32Å
842	E	85.2	Confident	89.5	Confident	21 Å²	21	45 Å²	45	10%	0.098	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-50.5	175.3	-177.5	172	-179.1	0	0	110.1	V838 S839 R878	V838-E842 HydrophobicContact CG1-CB 3.8Å; V838-E842 HydrophobicContact CG1-CG 3.79Å; S839-E842 PolarHBondContact O-N 3.3Å; S839-E842 PolarHBondContact OG-N 3.2Å; E842-R878 VanDerWaalsContact CD-NE 3.34Å; E842-R878 WeakPolarHBondContact OE1-CG 3.49Å; E842-R878 IonicContact OE1-CZ 3.62Å; E842-R878 PolarHBondContact OE1-N 3.2Å; E842-R878 IonicContact OE1-NE 2.8Å; E842-R878 PolarHBondContact OE1-NE 2.92Å; E842-R878 IonicContact OE1-NH2 3.29Å; E842-R878 IonicContact OE2-CZ 3.85Å; E842-R878 VanDerWaalsContact OE2-CZ 3.25Å; E842-R878 IonicContact OE2-NE 2.74Å; E842-R878 PolarHBondContact OE2-NE 3.13Å; E842-R878 IonicContact OE2-NH2 3.4Å; E842-R878 PolarHBondContact OE2-NH2 3.25Å
843	Y	88.8	Confident	90	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.185	C	C	.	.			trans	-140.2	107.8	-179.6	-167.8	-99.5	0	0	0	112.2	Y583 H612 V825 R827 S839 Y840 W845 Y847 Y848 P849 M877 I886	Y583-Y843 HydrophobicContact CD2-CD2 4.43Å; H612-Y843 HydrophobicContact CB-CE1 4.46Å; H612-Y843 HydrophobicContact CB-CE2 4.33Å; H612-Y843 WeakPolarHBondContact CB-OH 3.19Å; H612-Y843 AromaticContact CG-CZ 3.98Å; H612-Y843 AromaticContact ND1-CE2 3.47Å; H612-Y843 WeakPolarHBondContact ND1-CE2 3.4Å; H612-Y843 AromaticContact ND1-CZ 3.67Å; H612-Y843 PolarHBondContact ND1-OH 3.15Å; V825-Y843 HydrophobicContact CG2-CD1 3.73Å; V825-Y843 HydrophobicContact CG2-CE1 3.79Å; R827-Y843 PolarHBondContact NH1-O 3.34Å; R827-Y843 PolarHBondContact NH2-O 3.2Å; S839-Y843 PolarHBondContact O-N 2.8Å; Y840-Y843 WeakPolarHBondContact CA-O 3.49Å; Y840-Y843 CarbonylContact O-C 3.57Å; Y843-W845 HydrophobicContact CD1-CB 4.27Å; Y843-W845 HydrophobicContact CD1-CE3 4.17Å; Y843-W845 WeakPolarHBondContact CD1-O 3.39Å; Y843-W845 AromaticContact CD2-CE3 3.87Å; Y843-W845 HydrophobicContact CD2-CE3 3.87Å; Y843-W845 HydrophobicContact CD2-CZ3 4.11Å; Y843-W845 HydrophobicContact CE1-CB 3.69Å; Y843-W845 AromaticContact CE1-CE3 3.93Å; Y843-W845 HydrophobicContact CE1-CE3 3.93Å; Y843-W845 WeakPolarHBondContact CE1-O 3.38Å; Y843-W845 AromaticContact CE2-CE3 3.6Å; Y843-W845 HydrophobicContact CE2-CE3 3.6Å; Y843-W845 AromaticContact CE2-CZ3 3.93Å; Y843-W845 HydrophobicContact CE2-CZ3 3.93Å; Y843-W845 HydrophobicContact CG-CE3 4.19Å; Y843-W845 AromaticContact CZ-CE3 3.66Å; Y843-W845 PolarHBondContact O-N 3.48Å; Y843-Y847 PolarHBondContact OH-O 2.9Å; Y843-Y848 HydrophobicContact CD1-CD1 4.09Å; Y843-Y848 AromaticContact CD1-CE1 3.74Å; Y843-Y848 HydrophobicContact CD1-CE1 3.74Å; Y843-Y848 AromaticContact CE1-CD1 3.51Å; Y843-Y848 HydrophobicContact CE1-CD1 3.51Å; Y843-Y848 AromaticContact CE1-CE1 3.67Å; Y843-Y848 HydrophobicContact CE1-CE1 3.67Å; Y843-Y848 HydrophobicContact CE2-CD1 4.29Å; Y843-Y848 HydrophobicContact CE2-CE1 4.48Å; Y843-Y848 HydrophobicContact CG-CE1 4.13Å; Y843-Y848 AromaticContact CZ-CD1 3.59Å; Y843-P849 VanDerWaalsContact OH-CD 3.3Å; Y843-P849 WeakPolarHBondContact OH-CD 3.26Å; Y843-M877 HydrophobicContact CD2-CE 3.61Å; Y843-M877 HydrophobicContact CD2-SD 3.4Å; Y843-M877 WeakPolarHBondContact CD2-SD 3.38Å; Y843-M877 HydrophobicContact CE2-CE 4.31Å; Y843-M877 HydrophobicContact CE2-SD 3.78Å; Y843-M877 HydrophobicContact CG-CE 3.81Å; Y843-M877 HydrophobicContact CG-SD 4.22Å; Y843-I886 HydrophobicContact CD2-CD1 4.47Å; Y843-I886 HydrophobicContact CE2-CD1 3.72Å
844	P	86.6	Confident	90.4	Very high	23 Å²	23	39.2 Å²	39.2	15%	0.149	18%	0.181	C	C	.	.			trans	-67.6	-23.8	-172.7	-25.6	34.3	0	0	0	116.9	S584 Y840	S584-P844 WeakPolarHBondContact O-CG 3.3Å; Y840-P844 WeakPolarHBondContact CD1-O 3.27Å; Y840-P844 WeakPolarHBondContact O-CA 3.43Å
845	W	88.7	Confident	90.6	Very high	9 Å²	9	38.2 Å²	38.2	3%	0.034	17%	0.166	C	C	.	.	S	Bend	trans	-93.5	154	-171.8	-54.7	-87.9	0	0	0	112.4	Y583 N587 S589 H612 V825 R827 Y843	Y583-W845 AromaticContact CD1-CH2 3.86Å; Y583-W845 HydrophobicContact CD1-CH2 3.86Å; Y583-W845 AromaticContact CD1-CZ3 3.6Å; Y583-W845 HydrophobicContact CD1-CZ3 3.6Å; Y583-W845 HydrophobicContact CE1-CZ3 4.47Å; Y583-W845 HydrophobicContact CG-CH2 4.38Å; Y583-W845 AromaticContact CG-CZ3 3.91Å; Y583-W845 HydrophobicContact CG-CZ3 3.91Å; N587-W845 HydrophobicContact CB-CZ2 4.03Å; S589-W845 WeakPolarHBondContact OG-CZ2 3.33Å; H612-W845 HydrophobicContact CB-CB 4.06Å; H612-W845 HydrophobicContact CB-CD2 3.59Å; H612-W845 HydrophobicContact CB-CE3 3.74Å; H612-W845 HydrophobicContact CB-CG 3.73Å; H612-W845 HydrophobicContact CB-CZ3 4.37Å; H612-W845 AromaticContact CD2-CD2 3.79Å; H612-W845 AromaticContact CD2-CE2 3.64Å; H612-W845 AromaticContact CD2-CE3 3.71Å; H612-W845 AromaticContact CD2-CH2 3.32Å; H612-W845 WeakPolarHBondContact CD2-CH2 3.45Å; H612-W845 AromaticContact CD2-CZ2 3.43Å; H612-W845 VanDerWaalsContact CD2-CZ2 3.43Å; H612-W845 WeakPolarHBondContact CD2-CZ2 3.34Å; H612-W845 AromaticContact CD2-CZ3 3.46Å; H612-W845 VanDerWaalsContact CD2-CZ3 3.46Å; H612-W845 WeakPolarHBondContact CD2-CZ3 3.45Å; H612-W845 AromaticContact CE1-CZ3 3.74Å; H612-W845 AromaticContact CG-CD2 3.76Å; H612-W845 AromaticContact CG-CE3 3.55Å; H612-W845 AromaticContact CG-CZ3 3.68Å; H612-W845 AromaticContact ND1-CE3 3.97Å; H612-W845 AromaticContact ND1-CZ3 3.85Å; H612-W845 AromaticContact NE2-CH2 3.34Å; H612-W845 VanDerWaalsContact NE2-CH2 3.34Å; H612-W845 WeakPolarHBondContact NE2-CH2 3.49Å; H612-W845 AromaticContact NE2-CZ2 3.89Å; H612-W845 AromaticContact NE2-CZ3 3.53Å; V825-W845 VanDerWaalsContact CG2-O 3.29Å; V825-W845 WeakPolarHBondContact CG2-O 3.11Å; R827-W845 VanDerWaalsContact NH2-C 3.26Å; R827-W845 PolarHBondContact NH2-O 3.35Å; Y843-W845 HydrophobicContact CD1-CB 4.27Å; Y843-W845 HydrophobicContact CD1-CE3 4.17Å; Y843-W845 WeakPolarHBondContact CD1-O 3.39Å; Y843-W845 AromaticContact CD2-CE3 3.87Å; Y843-W845 HydrophobicContact CD2-CE3 3.87Å; Y843-W845 HydrophobicContact CD2-CZ3 4.11Å; Y843-W845 HydrophobicContact CE1-CB 3.69Å; Y843-W845 AromaticContact CE1-CE3 3.93Å; Y843-W845 HydrophobicContact CE1-CE3 3.93Å; Y843-W845 WeakPolarHBondContact CE1-O 3.38Å; Y843-W845 AromaticContact CE2-CE3 3.6Å; Y843-W845 HydrophobicContact CE2-CE3 3.6Å; Y843-W845 AromaticContact CE2-CZ3 3.93Å; Y843-W845 HydrophobicContact CE2-CZ3 3.93Å; Y843-W845 HydrophobicContact CG-CE3 4.19Å; Y843-W845 AromaticContact CZ-CE3 3.66Å; Y843-W845 PolarHBondContact O-N 3.48Å
846	D	87.7	Confident	90.9	Very high	55 Å²	55	33.5 Å²	33.5	29%	0.294	15%	0.148	S	C	.	.	S	Bend	trans	-86.2	-15.1	-175.9	-64.3	-35.3	0	0	0	113.9	T610 S824 V825 R827 Y840	T610-D846 PolarHBondContact OG1-OD2 2.6Å; S824-D846 CarbonylContact C-O 3.59Å; S824-D846 VanDerWaalsContact CA-O 3.25Å; S824-D846 WeakPolarHBondContact CA-O 3.49Å; V825-D846 PolarHBondContact N-O 3Å; R827-D846 IonicContact CZ-OD1 2.76Å; R827-D846 IonicContact NE-OD1 3.1Å; R827-D846 IonicContact NH2-OD1 2.66Å; R827-D846 PolarHBondContact NH2-OD1 3.15Å; Y840-D846 VanDerWaalsContact CE1-OD1 3.26Å; Y840-D846 WeakPolarHBondContact CE1-OD1 3.4Å; Y840-D846 PolarHBondContact OH-OD1 2.53Å
847	Y	91.1	Very high	91.2	Very high	60 Å²	60	27.3 Å²	27.3	24%	0.235	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-127.6	138.6	176.6	-69.6	-99.4	0	0	0	111.3	L609 T610 H612 F822 Y843	L609-Y847 HydrophobicContact CB-CD2 4.24Å; L609-Y847 HydrophobicContact CB-CE2 4.3Å; L609-Y847 HydrophobicContact CD1-CD1 3.99Å; L609-Y847 HydrophobicContact CD1-CD2 4.2Å; L609-Y847 HydrophobicContact CD1-CE1 3.71Å; L609-Y847 HydrophobicContact CD1-CE2 3.99Å; L609-Y847 HydrophobicContact CD1-CG 4.23Å; L609-Y847 HydrophobicContact CD2-CD2 4.25Å; L609-Y847 HydrophobicContact CD2-CE1 4.36Å; L609-Y847 HydrophobicContact CD2-CE2 3.47Å; L609-Y847 VanDerWaalsContact CD2-CE2 3.47Å; L609-Y847 WeakPolarHBondContact CD2-OH 3.39Å; L609-Y847 HydrophobicContact CG-CD2 4.46Å; L609-Y847 HydrophobicContact CG-CE2 4.12Å; T610-Y847 PolarHBondContact O-N 3.24Å; H612-Y847 PolarHBondContact N-O 3.22Å; F822-Y847 HydrophobicContact CE1-CD1 4.23Å; F822-Y847 HydrophobicContact CE2-CD1 4.4Å; F822-Y847 AromaticContact CZ-CD1 3.86Å; F822-Y847 HydrophobicContact CZ-CD1 3.86Å; F822-Y847 HydrophobicContact CZ-CG 4.39Å; Y843-Y847 PolarHBondContact OH-O 2.9Å
848	Y	92.1	Very high	91.5	Very high	7 Å²	7	27.4 Å²	27.4	3%	0.027	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-76.8	149	169.3	-59.6	-52.9	0	0	0	110.2	F822 G823 V825 V838 Y843 Y851 M877 V882	F822-Y848 WeakPolarHBondContact CE2-O 3.42Å; G823-Y848 PolarHBondContact O-N 2.9Å; V825-Y848 HydrophobicContact CB-CE1 4.3Å; V825-Y848 HydrophobicContact CB-CE2 4.27Å; V825-Y848 HydrophobicContact CG1-CE1 4.32Å; V825-Y848 WeakPolarHBondContact CG1-OH 3.36Å; V825-Y848 HydrophobicContact CG2-CD1 3.7Å; V825-Y848 HydrophobicContact CG2-CD2 4.13Å; V825-Y848 HydrophobicContact CG2-CE1 3.29Å; V825-Y848 HydrophobicContact CG2-CE2 3.81Å; V825-Y848 HydrophobicContact CG2-CG 4.11Å; V838-Y848 WeakPolarHBondContact CG2-OH 3.34Å; Y843-Y848 HydrophobicContact CD1-CD1 4.09Å; Y843-Y848 AromaticContact CD1-CE1 3.74Å; Y843-Y848 HydrophobicContact CD1-CE1 3.74Å; Y843-Y848 AromaticContact CE1-CD1 3.51Å; Y843-Y848 HydrophobicContact CE1-CD1 3.51Å; Y843-Y848 AromaticContact CE1-CE1 3.67Å; Y843-Y848 HydrophobicContact CE1-CE1 3.67Å; Y843-Y848 HydrophobicContact CE2-CD1 4.29Å; Y843-Y848 HydrophobicContact CE2-CE1 4.48Å; Y843-Y848 HydrophobicContact CG-CE1 4.13Å; Y843-Y848 AromaticContact CZ-CD1 3.59Å; Y848-Y851 HydrophobicContact CD2-CE1 4.07Å; Y848-M877 HydrophobicContact CE1-CE 3.83Å; Y848-V882 HydrophobicContact CD1-CG1 3.34Å; Y848-V882 HydrophobicContact CD2-CG1 4.1Å; Y848-V882 HydrophobicContact CD2-CG2 3.82Å; Y848-V882 HydrophobicContact CE1-CG1 3.55Å; Y848-V882 HydrophobicContact CE2-CG1 4.24Å; Y848-V882 HydrophobicContact CE2-CG2 3.84Å; Y848-V882 HydrophobicContact CG-CG1 3.64Å; Y848-V882 HydrophobicContact CG-CG2 4.17Å
849	P	92.3	Very high	91.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-60.8	159.1	160.7	30.7	-34.5	0	0	0	109	Y843 Y851 I886 K889	Y843-P849 VanDerWaalsContact OH-CD 3.3Å; Y843-P849 WeakPolarHBondContact OH-CD 3.26Å; P849-Y851 WeakPolarHBondContact O-CD1 3.3Å; P849-Y851 PolarHBondContact O-N 2.99Å; P849-I886 HydrophobicContact CG-CB 4.41Å; P849-I886 HydrophobicContact CG-CG1 3.64Å; P849-K889 HydrophobicContact CB-CB 4.08Å; P849-K889 HydrophobicContact CB-CD 4.49Å; P849-K889 HydrophobicContact CB-CG 3.96Å; P849-K889 HydrophobicContact CG-CB 4.42Å
850	R	94.2	Very high	92.4	Very high	140 Å²	140	27 Å²	27	53%	0.528	12%	0.122	S	C	.	.	P	Polyproline II helix	trans	-51.1	137.6	176.5	-70	-175.6	177.8	83.1	-3	111.2	V820 Y821 F822 L895	V820-R850 HydrophobicContact CG1-CB 4.11Å; V820-R850 HydrophobicContact CG1-CG 4.39Å; Y821-R850 WeakPolarHBondContact O-CA 3.34Å; F822-R850 HydrophobicContact CB-CG 4.22Å; F822-R850 HydrophobicContact CD2-CG 4.34Å; R850-L895 HydrophobicContact CB-CD1 3.99Å; R850-L895 VanDerWaalsContact O-CD1 3.29Å; R850-L895 WeakPolarHBondContact O-CD1 3.48Å
851	Y	96.6	Very high	93	Very high	24 Å²	24	21.7 Å²	21.7	9%	0.094	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	168.7	-178.4	67.4	-82.1	0	0	0	110.5	V820 Y821 Y848 P849 D881 V882	V820-Y851 CarbonylContact C-O 3.59Å; V820-Y851 WeakPolarHBondContact CA-O 3.48Å; Y821-Y851 AromaticContact CD1-CE1 3.63Å; Y821-Y851 HydrophobicContact CD1-CE1 3.63Å; Y821-Y851 HydrophobicContact CD1-CE2 4.38Å; Y821-Y851 AromaticContact CD1-CZ 3.49Å; Y821-Y851 VanDerWaalsContact CD1-CZ 3.49Å; Y821-Y851 WeakPolarHBondContact CD1-OH 3.35Å; Y821-Y851 HydrophobicContact CE1-CE1 4.38Å; Y821-Y851 WeakPolarHBondContact CE1-OH 3.41Å; Y821-Y851 PolarHBondContact N-O 3.27Å; Y821-Y851 PolarHBondContact O-N 2.8Å; Y821-Y851 VanDerWaalsContact O-N 3.12Å; Y848-Y851 HydrophobicContact CD2-CE1 4.07Å; P849-Y851 WeakPolarHBondContact O-CD1 3.3Å; P849-Y851 PolarHBondContact O-N 2.99Å; Y851-D881 HydrophobicContact CD2-CB 4.32Å; Y851-V882 HydrophobicContact CD1-CG2 4.3Å; Y851-V882 HydrophobicContact CD2-CG2 3.96Å; Y851-V882 HydrophobicContact CE1-CG2 4.04Å; Y851-V882 HydrophobicContact CE2-CG2 3.72Å; Y851-V882 HydrophobicContact CG-CG2 4.27Å
852	F	97.5	Very high	93.6	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.013	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	145.8	173	-58.7	-57	0	0	0	110.2	A816 G818 S819 V820 Y857 L859 D881 L888 L895	A816-F852 VanDerWaalsContact C-CZ 3.41Å; A816-F852 HydrophobicContact CB-CE2 4.29Å; A816-F852 HydrophobicContact CB-CZ 4.07Å; G818-F852 VanDerWaalsContact N-CE1 3.29Å; S819-F852 CarbonylContact O-C 3.58Å; S819-F852 WeakPolarHBondContact O-CA 3.37Å; V820-F852 HydrophobicContact CG2-CD1 3.86Å; V820-F852 HydrophobicContact CG2-CE1 3.61Å; F852-Y857 HydrophobicContact CB-CD1 4.08Å; F852-Y857 HydrophobicContact CB-CG 4.26Å; F852-Y857 HydrophobicContact CD2-CD1 4.42Å; F852-Y857 HydrophobicContact CD2-CD2 4.4Å; F852-Y857 AromaticContact CD2-CG 3.9Å; F852-Y857 HydrophobicContact CD2-CG 3.9Å; F852-Y857 HydrophobicContact CG-CG 4.35Å; F852-L859 HydrophobicContact CE2-CD2 4.37Å; F852-D881 WeakPolarHBondContact O-CB 3.5Å; F852-L888 HydrophobicContact CD2-CD1 4.31Å; F852-L888 HydrophobicContact CE2-CD1 3.7Å; F852-L895 HydrophobicContact CE1-CB 3.9Å; F852-L895 HydrophobicContact CE1-CD1 4.4Å; F852-L895 HydrophobicContact CE1-CD2 4.4Å; F852-L895 HydrophobicContact CE1-CG 4.46Å; F852-L895 HydrophobicContact CE2-CD2 4.06Å; F852-L895 HydrophobicContact CZ-CB 3.97Å; F852-L895 HydrophobicContact CZ-CD1 4.41Å; F852-L895 HydrophobicContact CZ-CD2 3.7Å; F852-L895 HydrophobicContact CZ-CG 4.23Å
853	L	94.5	Very high	94.3	Very high	30 Å²	30	20.9 Å²	20.9	16%	0.157	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	140.3	167.6	-64	179.7	0	0	0	110.9	S819 Y821 I855 G856 I903	S819-L853 PolarHBondContact O-N 3.49Å; S819-L853 WeakPolarHBondContact OG-CD1 3.48Å; Y821-L853 HydrophobicContact CD1-CD2 4.43Å; Y821-L853 HydrophobicContact CD2-CD2 4.23Å; Y821-L853 HydrophobicContact CG-CD2 3.89Å; L853-I855 HydrophobicContact CB-CG1 4.2Å; L853-I855 PolarHBondContact O-N 3.1Å; L853-G856 PolarHBondContact O-N 3.1Å; L853-I903 HydrophobicContact CD1-CD1 3.83Å; L853-I903 HydrophobicContact CD1-CG1 3.98Å
854	G	91.6	Very high	94.7	Very high	11 Å²	11	20.9 Å²	20.9	11%	0.113	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	-11.4	-176.1	0	0	0	0	0	117.4	K668 G856 D881	K668-G854 PolarHBondContact NZ-O 2.7Å; G854-G856 VanDerWaalsContact C-N 3.31Å; G854-G856 PolarHBondContact O-N 3.26Å; G854-D881 WeakPolarHBondContact CA-OD2 3.25Å; G854-D881 PolarHBondContact N-OD2 2.87Å
855	I	94.1	Very high	95.3	Very high	18 Å²	18	22.4 Å²	22.4	9%	0.092	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	-31.3	-179.6	64.8	178.6	0	0	0	113.4	Y793 L853 I901 I903	Y793-I855 HydrophobicContact CD2-CB 4.14Å; Y793-I855 HydrophobicContact CD2-CG2 4.41Å; Y793-I855 HydrophobicContact CE1-CB 4.33Å; Y793-I855 HydrophobicContact CE1-CG2 4.46Å; Y793-I855 HydrophobicContact CE2-CB 3.7Å; Y793-I855 HydrophobicContact CE2-CG2 3.52Å; Y793-I855 WeakPolarHBondContact OH-CG2 3.34Å; L853-I855 HydrophobicContact CB-CG1 4.2Å; L853-I855 PolarHBondContact O-N 3.1Å; I855-I901 HydrophobicContact CD1-CG2 3.49Å; I855-I901 VanDerWaalsContact CD1-CG2 3.49Å; I855-I901 HydrophobicContact CG1-CG2 4.13Å; I855-I903 HydrophobicContact CD1-CG1 4.31Å
856	G	95.8	Very high	95.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.9	151.4	171.7	0	0	0	0	0	115.7	F788 L853 G854	F788-G856 CarbonylContact O-C 3.53Å; F788-G856 WeakPolarHBondContact O-CA 3.42Å; L853-G856 PolarHBondContact O-N 3.1Å; G854-G856 VanDerWaalsContact C-N 3.31Å; G854-G856 PolarHBondContact O-N 3.26Å
857	Y	98.3	Very high	96.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	151.9	-177.6	52.2	-96.8	0	0	0	112.2	M768 L787 F788 A817 F852 L859 L884	M768-Y857 PolarHBondContact SD-OH 2.96Å; M768-Y857 VanDerWaalsContact SD-OH 3.42Å; L787-Y857 WeakPolarHBondContact CD1-O 3.37Å; F788-Y857 HydrophobicContact CB-CD2 3.99Å; F788-Y857 HydrophobicContact CB-CE1 4.2Å; F788-Y857 HydrophobicContact CB-CE2 3.45Å; F788-Y857 VanDerWaalsContact CB-CE2 3.45Å; F788-Y857 HydrophobicContact CD1-CE2 4.4Å; F788-Y857 HydrophobicContact CD2-CD2 4.14Å; F788-Y857 AromaticContact CD2-CE2 3.6Å; F788-Y857 HydrophobicContact CD2-CE2 3.6Å; F788-Y857 HydrophobicContact CE2-CE2 4.47Å; F788-Y857 HydrophobicContact CG-CD2 4.34Å; F788-Y857 AromaticContact CG-CE2 3.57Å; F788-Y857 HydrophobicContact CG-CE2 3.57Å; F788-Y857 AromaticContact CG-CZ 3.95Å; F788-Y857 PolarHBondContact N-O 2.91Å; F788-Y857 PolarHBondContact O-N 3.26Å; A817-Y857 CarbonylContact O-C 3.57Å; A817-Y857 WeakPolarHBondContact O-CA 3.47Å; F852-Y857 HydrophobicContact CB-CD1 4.08Å; F852-Y857 HydrophobicContact CB-CG 4.26Å; F852-Y857 HydrophobicContact CD2-CD1 4.42Å; F852-Y857 HydrophobicContact CD2-CD2 4.4Å; F852-Y857 AromaticContact CD2-CG 3.9Å; F852-Y857 HydrophobicContact CD2-CG 3.9Å; F852-Y857 HydrophobicContact CG-CG 4.35Å; Y857-L859 HydrophobicContact CD2-CD1 4.19Å; Y857-L859 HydrophobicContact CD2-CD2 4.21Å; Y857-L859 HydrophobicContact CD2-CG 3.86Å; Y857-L859 HydrophobicContact CE2-CD1 3.84Å; Y857-L859 HydrophobicContact CE2-CG 4.04Å; Y857-L884 HydrophobicContact CD1-CD2 4.39Å; Y857-L884 HydrophobicContact CD2-CD2 3.86Å; Y857-L884 HydrophobicContact CE1-CD2 3.92Å; Y857-L884 HydrophobicContact CE2-CD2 3.32Å; Y857-L884 HydrophobicContact CG-CD2 4.37Å
858	F	98.5	Very high	96.4	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.018	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.4	173	-70.6	-78.8	0	0	0	111.2	L663 L785 F786 L787 L803 I804 L815 A816 A817 L898 F915	L663-F858 HydrophobicContact CD1-CD1 4.4Å; L663-F858 HydrophobicContact CD1-CE1 4.11Å; L785-F858 HydrophobicContact CD1-CB 4.14Å; L785-F858 HydrophobicContact CD1-CD1 4.13Å; L785-F858 HydrophobicContact CD2-CD1 3.64Å; L785-F858 HydrophobicContact CD2-CE1 3.92Å; L785-F858 HydrophobicContact CG-CD1 3.92Å; F786-F858 CarbonylContact O-C 3.48Å; F786-F858 VanDerWaalsContact O-CA 3.3Å; F786-F858 WeakPolarHBondContact O-CA 3.42Å; L787-F858 HydrophobicContact CB-CD1 3.8Å; L787-F858 HydrophobicContact CB-CE1 3.68Å; L787-F858 HydrophobicContact CD1-CD1 3.96Å; L787-F858 HydrophobicContact CD1-CD2 4.26Å; L787-F858 HydrophobicContact CD1-CE1 3.84Å; L787-F858 HydrophobicContact CD1-CE2 4.14Å; L787-F858 HydrophobicContact CD1-CG 4.19Å; L787-F858 HydrophobicContact CD1-CZ 3.93Å; L787-F858 HydrophobicContact CD2-CE1 3.81Å; L787-F858 HydrophobicContact CD2-CZ 3.9Å; L787-F858 HydrophobicContact CG-CD1 4.32Å; L787-F858 HydrophobicContact CG-CE1 3.97Å; L787-F858 HydrophobicContact CG-CZ 4.34Å; L803-F858 HydrophobicContact CD2-CE2 3.85Å; L803-F858 HydrophobicContact CD2-CZ 4.36Å; I804-F858 HydrophobicContact CD1-CE1 4.09Å; I804-F858 HydrophobicContact CD1-CZ 4.44Å; I804-F858 HydrophobicContact CG1-CE1 4.3Å; I804-F858 HydrophobicContact CG1-CZ 4.4Å; L815-F858 HydrophobicContact CD2-CB 4.28Å; A816-F858 WeakPolarHBondContact CA-O 3.38Å; A817-F858 HydrophobicContact CB-CB 4.41Å; A817-F858 PolarHBondContact N-O 3.41Å; A817-F858 PolarHBondContact O-N 3.27Å; F858-L898 HydrophobicContact CD2-CD1 3.8Å; F858-L898 HydrophobicContact CE2-CD1 4.09Å; F858-F915 HydrophobicContact CD2-CZ 4.38Å; F858-F915 HydrophobicContact CE2-CE1 4.12Å; F858-F915 AromaticContact CE2-CE2 3.76Å; F858-F915 HydrophobicContact CE2-CE2 3.76Å; F858-F915 AromaticContact CE2-CZ 3.41Å; F858-F915 HydrophobicContact CE2-CZ 3.41Å; F858-F915 VanDerWaalsContact CE2-CZ 3.41Å; F858-F915 AromaticContact CZ-CE2 3.81Å; F858-F915 HydrophobicContact CZ-CE2 3.81Å; F858-F915 AromaticContact CZ-CZ 3.97Å; F858-F915 HydrophobicContact CZ-CZ 3.97Å
859	L	98.6	Very high	96.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.6	167.9	-57.9	178.3	0	0	0	109.3	L772 F786 F788 L815 A816 F852 Y857 V863 V864 L884 L888	L772-L859 HydrophobicContact CD2-CD1 3.92Å; F786-L859 WeakPolarHBondContact CB-O 3.05Å; F786-L859 PolarHBondContact N-O 3.28Å; F786-L859 PolarHBondContact O-N 2.92Å; F788-L859 HydrophobicContact CD2-CD1 4.25Å; F788-L859 HydrophobicContact CD2-CG 4.45Å; F788-L859 HydrophobicContact CE2-CB 4.4Å; F788-L859 HydrophobicContact CE2-CD1 3.92Å; F788-L859 HydrophobicContact CE2-CG 4.36Å; L815-L859 CarbonylContact O-C 3.57Å; L815-L859 WeakPolarHBondContact O-CA 3.33Å; A816-L859 HydrophobicContact CB-CD2 4.3Å; F852-L859 HydrophobicContact CE2-CD2 4.37Å; Y857-L859 HydrophobicContact CD2-CD1 4.19Å; Y857-L859 HydrophobicContact CD2-CD2 4.21Å; Y857-L859 HydrophobicContact CD2-CG 3.86Å; Y857-L859 HydrophobicContact CE2-CD1 3.84Å; Y857-L859 HydrophobicContact CE2-CG 4.04Å; L859-V863 HydrophobicContact CB-CG1 4.48Å; L859-V863 HydrophobicContact CD2-CG1 3.92Å; L859-V864 HydrophobicContact CB-CG2 3.62Å; L859-V864 HydrophobicContact CD1-CG2 4.32Å; L859-L884 HydrophobicContact CD1-CD1 4.32Å; L859-L884 HydrophobicContact CD1-CD2 4.29Å; L859-L888 HydrophobicContact CD2-CD1 4.32Å
860	G	98.6	Very high	96.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	158.2	171	0	0	0	0	0	111.8	P784 L812 K813 L815 D862 V863 V864	P784-G860 WeakPolarHBondContact O-CA 3.25Å; L812-G860 WeakPolarHBondContact O-CA 3.49Å; K813-G860 CarbonylContact O-C 3.17Å; K813-G860 VanDerWaalsContact O-CA 3.25Å; K813-G860 WeakPolarHBondContact O-CA 3.43Å; L815-G860 PolarHBondContact O-N 3.2Å; G860-D862 VanDerWaalsContact C-N 3.27Å; G860-D862 PolarHBondContact O-N 3.1Å; G860-V863 WeakPolarHBondContact O-CA 3.39Å; G860-V863 WeakPolarHBondContact O-CB 3.43Å; G860-V863 PolarHBondContact O-N 2.87Å; G860-V864 PolarHBondContact O-N 3.28Å
861	A	98.2	Very high	96.7	Very high	1 Å²	1	12 Å²	12	1%	0.008	6%	0.063	C	C	.	.	H	α-helix	trans	-51.7	-43.3	180	0	0	0	0	0	113.3	I780 P784 F786 K813 V863 V864 H865	I780-A861 HydrophobicContact CD1-CB 3.8Å; I780-A861 WeakPolarHBondContact CD1-O 3.3Å; I780-A861 HydrophobicContact CG2-CB 4.4Å; P784-A861 PolarHBondContact O-N 2.97Å; F786-A861 HydrophobicContact CE2-CB 4.16Å; K813-A861 PolarHBondContact O-N 3.47Å; A861-V863 VanDerWaalsContact C-N 3.3Å; A861-V863 PolarHBondContact O-N 3.2Å; A861-V864 PolarHBondContact O-N 3.29Å; A861-H865 WeakPolarHBondContact O-CB 3.34Å; A861-H865 PolarHBondContact O-N 3.49Å
862	D	97.7	Very high	96.5	Very high	53 Å²	53	10.9 Å²	10.9	28%	0.283	6%	0.058	S	C	.	.	H	α-helix	trans	-69.1	-33	-179.8	-59.2	-28.4	0	0	0	111	K813 G860 D866	K813-D862 WeakPolarHBondContact CB-OD2 3.46Å; K813-D862 WeakPolarHBondContact CE-OD1 3.43Å; K813-D862 IonicContact NZ-OD1 2.7Å; K813-D862 PolarHBondContact NZ-OD1 3.06Å; K813-D862 IonicContact NZ-OD2 3.74Å; K813-D862 PolarHBondContact NZ-OD2 3.43Å; K813-D862 WeakPolarHBondContact O-CB 3.41Å; K813-D862 PolarHBondContact O-N 2.92Å; G860-D862 VanDerWaalsContact C-N 3.27Å; G860-D862 PolarHBondContact O-N 3.1Å; D862-D866 WeakPolarHBondContact O-CB 3.1Å; D862-D866 PolarHBondContact O-N 3.37Å
863	V	98.5	Very high	96.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-72.3	-42.4	176.8	-174.7	0	0	0	0	111.4	S814 L815 A816 L859 G860 A861 H865 D866 A867 L888	S814-V863 WeakPolarHBondContact O-CG2 3.32Å; L815-V863 WeakPolarHBondContact O-CG2 3.27Å; A816-V863 HydrophobicContact CB-CG1 4.39Å; L859-V863 HydrophobicContact CB-CG1 4.48Å; L859-V863 HydrophobicContact CD2-CG1 3.92Å; G860-V863 WeakPolarHBondContact O-CA 3.39Å; G860-V863 WeakPolarHBondContact O-CB 3.43Å; G860-V863 PolarHBondContact O-N 2.87Å; A861-V863 VanDerWaalsContact C-N 3.3Å; A861-V863 PolarHBondContact O-N 3.2Å; V863-H865 VanDerWaalsContact C-N 3.35Å; V863-D866 PolarHBondContact O-N 2.86Å; V863-A867 WeakPolarHBondContact O-CB 3.22Å; V863-A867 PolarHBondContact O-N 2.91Å; V863-L888 HydrophobicContact CG1-CD2 3.45Å; V863-L888 VanDerWaalsContact CG1-CD2 3.45Å
864	V	98.4	Very high	96.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.8	-47.9	175.1	166.9	0	0	0	0	110.7	L772 A775 T776 I780 F786 F788 L859 G860 A861 S868	L772-V864 HydrophobicContact CD2-CB 4.25Å; L772-V864 HydrophobicContact CD2-CG1 3.94Å; L772-V864 HydrophobicContact CD2-CG2 4.02Å; A775-V864 HydrophobicContact CB-CG1 3.8Å; T776-V864 PolarHBondContact OG1-O 3.36Å; I780-V864 HydrophobicContact CD1-CB 4.06Å; I780-V864 HydrophobicContact CD1-CG1 3.97Å; F786-V864 HydrophobicContact CB-CG2 4.14Å; F786-V864 HydrophobicContact CD2-CB 4.39Å; F786-V864 HydrophobicContact CD2-CG2 3.69Å; F786-V864 HydrophobicContact CE2-CG2 4.42Å; F786-V864 HydrophobicContact CG-CG2 4Å; F788-V864 HydrophobicContact CE2-CG2 4.42Å; L859-V864 HydrophobicContact CB-CG2 3.62Å; L859-V864 HydrophobicContact CD1-CG2 4.32Å; G860-V864 PolarHBondContact O-N 3.28Å; A861-V864 PolarHBondContact O-N 3.29Å; V864-S868 WeakPolarHBondContact O-CB 3.5Å; V864-S868 PolarHBondContact O-N 2.58Å
865	H	97.4	Very high	96	Very high	55 Å²	55	11.6 Å²	11.6	26%	0.255	6%	0.057	S	C	.	.	H	α-helix	trans	-56.1	-57.7	176.2	170.9	-86.4	0	0	0	110.9	T776 A861 V863 A867 S868 F869	T776-H865 HydrophobicContact CG2-CB 4.47Å; A861-H865 WeakPolarHBondContact O-CB 3.34Å; A861-H865 PolarHBondContact O-N 3.49Å; V863-H865 VanDerWaalsContact C-N 3.35Å; H865-A867 PolarHBondContact O-N 3.43Å; H865-S868 WeakPolarHBondContact O-CB 3.23Å; H865-S868 PolarHBondContact O-N 2.96Å; H865-S868 VanDerWaalsContact O-N 3.17Å; H865-S868 PolarHBondContact O-OG 3.3Å; H865-F869 AromaticContact CD2-CE2 3.76Å; H865-F869 AromaticContact CE1-CD2 3.85Å; H865-F869 AromaticContact CE1-CE2 3.83Å; H865-F869 AromaticContact NE2-CD2 3.87Å; H865-F869 AromaticContact NE2-CE2 3.38Å; H865-F869 WeakPolarHBondContact NE2-CE2 3.47Å; H865-F869 WeakPolarHBondContact O-CD2 3.28Å; H865-F869 PolarHBondContact O-N 3.36Å
866	D	98	Very high	95.8	Very high	28 Å²	28	13.5 Å²	13.5	15%	0.15	7%	0.066	C	C	.	.	H	α-helix	trans	-63.1	-40.7	-175.1	-71	-5.8	0	0	0	112.7	V619 D862 V863 S868 F869 A870 L891 R893	V619-D866 HydrophobicContact CG2-CB 3.92Å; D862-D866 WeakPolarHBondContact O-CB 3.1Å; D862-D866 PolarHBondContact O-N 3.37Å; V863-D866 PolarHBondContact O-N 2.86Å; D866-S868 VanDerWaalsContact C-N 3.33Å; D866-S868 PolarHBondContact O-N 3.07Å; D866-F869 PolarHBondContact O-N 2.69Å; D866-A870 PolarHBondContact O-N 3.19Å; D866-L891 HydrophobicContact CB-CD1 3.84Å; D866-L891 HydrophobicContact CB-CD2 4.02Å; D866-R893 IonicContact OD2-CZ 3.66Å; D866-R893 IonicContact OD2-NH2 3.67Å; D866-R893 PolarHBondContact OD2-NH2 2.95Å
867	A	98	Very high	95.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.3	-42	176.3	0	0	0	0	0	111.6	V863 H865 F869 A870 M871 I887 L891	V863-A867 WeakPolarHBondContact O-CB 3.22Å; V863-A867 PolarHBondContact O-N 2.91Å; H865-A867 PolarHBondContact O-N 3.43Å; A867-F869 PolarHBondContact O-N 3.38Å; A867-A870 PolarHBondContact O-N 3.27Å; A867-M871 VanDerWaalsContact O-CG 3.26Å; A867-M871 WeakPolarHBondContact O-CG 3.09Å; A867-M871 PolarHBondContact O-N 2.91Å; A867-I887 HydrophobicContact CB-CG2 3.86Å; A867-L891 HydrophobicContact CB-CD1 4.29Å
868	S	95.7	Very high	95.1	Very high	8 Å²	8	15.1 Å²	15.1	6%	0.056	7%	0.072	C	C	.	.	H	α-helix	trans	-60.9	-32.8	179.7	81.8	0	0	0	0	113.2	T776 V864 H865 D866 P872	T776-S868 WeakPolarHBondContact OG1-CB 3.32Å; T776-S868 PolarHBondContact OG1-OG 3.46Å; V864-S868 WeakPolarHBondContact O-CB 3.5Å; V864-S868 PolarHBondContact O-N 2.58Å; H865-S868 WeakPolarHBondContact O-CB 3.23Å; H865-S868 PolarHBondContact O-N 2.96Å; H865-S868 VanDerWaalsContact O-N 3.17Å; H865-S868 PolarHBondContact O-OG 3.3Å; D866-S868 VanDerWaalsContact C-N 3.33Å; D866-S868 PolarHBondContact O-N 3.07Å; S868-P872 WeakPolarHBondContact O-CD 3.49Å
869	F	93.9	Very high	94.9	Very high	16 Å²	16	15.6 Å²	15.6	7%	0.07	7%	0.074	C	C	.	.	H	α-helix	trans	-84.3	-29.1	177.4	-77.6	-76.3	0	0	0	113.2	L565 F617 V619 L623 I626 T776 H865 D866 A867 P872 F873	L565-F869 HydrophobicContact CD1-CD1 3.93Å; L565-F869 HydrophobicContact CD1-CE1 3.59Å; L565-F869 HydrophobicContact CD2-CD1 4.42Å; F617-F869 WeakPolarHBondContact CZ-O 3.34Å; V619-F869 HydrophobicContact CG1-CB 4.45Å; L623-F869 HydrophobicContact CD2-CD1 3.63Å; L623-F869 HydrophobicContact CD2-CD2 4.28Å; L623-F869 HydrophobicContact CD2-CE1 3.38Å; L623-F869 HydrophobicContact CD2-CE2 4.09Å; L623-F869 HydrophobicContact CD2-CG 4.09Å; L623-F869 HydrophobicContact CD2-CZ 3.64Å; I626-F869 HydrophobicContact CD1-CD1 4.32Å; T776-F869 HydrophobicContact CG2-CE2 4.31Å; H865-F869 AromaticContact CD2-CE2 3.76Å; H865-F869 AromaticContact CE1-CD2 3.85Å; H865-F869 AromaticContact CE1-CE2 3.83Å; H865-F869 AromaticContact NE2-CD2 3.87Å; H865-F869 AromaticContact NE2-CE2 3.38Å; H865-F869 WeakPolarHBondContact NE2-CE2 3.47Å; H865-F869 WeakPolarHBondContact O-CD2 3.28Å; H865-F869 PolarHBondContact O-N 3.36Å; D866-F869 PolarHBondContact O-N 2.69Å; A867-F869 PolarHBondContact O-N 3.38Å; F869-P872 WeakPolarHBondContact O-CD 3.22Å; F869-F873 VanDerWaalsContact O-CD2 3.31Å; F869-F873 WeakPolarHBondContact O-CD2 3.33Å
870	A	95.6	Very high	94.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-75.3	-33.4	177.1	0	0	0	0	0	113.2	F617 D866 A867 F873 T874 I887 L891	F617-A870 HydrophobicContact CD1-CB 3.63Å; F617-A870 HydrophobicContact CE1-CB 3.92Å; F617-A870 HydrophobicContact CG-CB 4.02Å; D866-A870 PolarHBondContact O-N 3.19Å; A867-A870 PolarHBondContact O-N 3.27Å; A870-F873 PolarHBondContact O-N 3Å; A870-F873 VanDerWaalsContact O-N 3.12Å; A870-T874 PolarHBondContact O-N 3.16Å; A870-T874 PolarHBondContact O-OG1 3.37Å; A870-I887 HydrophobicContact CB-CD1 4.36Å; A870-I887 HydrophobicContact CB-CG2 3.98Å; A870-L891 HydrophobicContact CB-CD1 4.28Å; A870-L891 HydrophobicContact CB-CD2 4.11Å; A870-L891 HydrophobicContact CB-CG 4.21Å
871	M	95.5	Very high	94.6	Very high	1 Å²	1	17 Å²	17	1%	0.005	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-53.9	-48	179.9	-76.3	175.7	170.5	0	0	114.6	M768 M769 L772 A867 F873 T874 Y883 L884 I887	M768-M871 HydrophobicContact CE-CE 3.75Å; M768-M871 HydrophobicContact SD-CE 4.49Å; M769-M871 HydrophobicContact CB-SD 4.39Å; M769-M871 HydrophobicContact CE-CB 4.26Å; M769-M871 HydrophobicContact CG-SD 3.63Å; L772-M871 HydrophobicContact CD1-CE 3.2Å; L772-M871 HydrophobicContact CD1-SD 3.63Å; A867-M871 VanDerWaalsContact O-CG 3.26Å; A867-M871 WeakPolarHBondContact O-CG 3.09Å; A867-M871 PolarHBondContact O-N 2.91Å; M871-F873 PolarHBondContact O-N 3.26Å; M871-T874 PolarHBondContact O-N 3.05Å; M871-T874 VanDerWaalsContact O-O 3.14Å; M871-Y883 WeakPolarHBondContact CA-OH 3.37Å; M871-Y883 HydrophobicContact CB-CE1 4.4Å; M871-Y883 HydrophobicContact CE-CD1 4.3Å; M871-Y883 HydrophobicContact CE-CE1 4.08Å; M871-Y883 HydrophobicContact CG-CE1 3.8Å; M871-Y883 PolarHBondContact O-OH 3.06Å; M871-Y883 HydrophobicContact SD-CE1 4.28Å; M871-L884 HydrophobicContact CE-CD1 4.32Å; M871-I887 HydrophobicContact CB-CD1 4.36Å; M871-I887 HydrophobicContact CE-CG1 4.22Å; M871-I887 HydrophobicContact CG-CD1 3.76Å; M871-I887 HydrophobicContact CG-CG1 3.87Å
872	P	91.8	Very high	94.5	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-51.4	-30.5	175.3	-17.3	13.2	0	0	0	115.4	L565 P636 C637 N638 N639 S868 F869	L565-P872 HydrophobicContact CB-CG 4.28Å; L565-P872 HydrophobicContact CD2-CB 4.14Å; L565-P872 HydrophobicContact CD2-CG 3.8Å; P636-P872 CarbonylContact C-O 3.6Å; P636-P872 WeakPolarHBondContact CA-O 3.42Å; P636-P872 HydrophobicContact CB-CB 3.87Å; P636-P872 WeakPolarHBondContact CB-O 3.28Å; P636-P872 HydrophobicContact CG-CB 4.45Å; C637-P872 PolarHBondContact N-O 3.36Å; C637-P872 VanDerWaalsContact N-O 3.15Å; N638-P872 CarbonylContact C-O 3.56Å; N638-P872 WeakPolarHBondContact CA-O 3.37Å; N638-P872 PolarHBondContact N-O 3.34Å; N638-P872 WeakPolarHBondContact O-CA 3.29Å; N639-P872 HydrophobicContact CB-CB 4Å; S868-P872 WeakPolarHBondContact O-CD 3.49Å; F869-P872 WeakPolarHBondContact O-CD 3.22Å
873	F	92.7	Very high	94.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-103.9	12.7	-175.3	-58.6	-93.4	0	0	0	112.4	L565 F579 N580 D581 F617 I626 L630 E634 P636 F869 A870 M871 R890	L565-F873 HydrophobicContact CD2-CE2 3.93Å; L565-F873 HydrophobicContact CD2-CZ 4.41Å; F579-F873 HydrophobicContact CB-CB 4.28Å; F579-F873 HydrophobicContact CB-CD1 3.55Å; F579-F873 HydrophobicContact CB-CE1 4.04Å; F579-F873 HydrophobicContact CB-CG 4.05Å; F579-F873 HydrophobicContact CD2-CE1 4.21Å; F579-F873 HydrophobicContact CG-CD1 4.43Å; F579-F873 HydrophobicContact CG-CE1 4.49Å; N580-F873 CarbonylContact C-O 3.56Å; N580-F873 WeakPolarHBondContact CA-O 3.22Å; N580-F873 WeakPolarHBondContact OD1-CD1 3.36Å; D581-F873 PolarHBondContact N-O 3.31Å; F617-F873 HydrophobicContact CD2-CB 4.24Å; F617-F873 HydrophobicContact CE2-CB 3.64Å; F617-F873 HydrophobicContact CE2-CD1 4.5Å; F617-F873 AromaticContact CE2-CD2 3.53Å; F617-F873 HydrophobicContact CE2-CD2 3.53Å; F617-F873 HydrophobicContact CE2-CE2 4.28Å; F617-F873 AromaticContact CE2-CG 3.66Å; F617-F873 HydrophobicContact CE2-CG 3.66Å; F617-F873 AromaticContact CZ-CD2 3.61Å; F617-F873 HydrophobicContact CZ-CD2 3.61Å; F617-F873 HydrophobicContact CZ-CE2 4.06Å; F617-F873 HydrophobicContact CZ-CG 4.23Å; I626-F873 HydrophobicContact CD1-CE2 4.15Å; I626-F873 HydrophobicContact CD1-CZ 4.16Å; I626-F873 HydrophobicContact CG1-CZ 4.22Å; L630-F873 HydrophobicContact CD1-CE1 4.02Å; L630-F873 HydrophobicContact CD1-CZ 4.02Å; E634-F873 WeakPolarHBondContact O-CE1 3.47Å; P636-F873 HydrophobicContact CB-CD1 4.22Å; P636-F873 HydrophobicContact CB-CE1 4.21Å; P636-F873 HydrophobicContact CB-CZ 4.47Å; P636-F873 HydrophobicContact CG-CD1 4.12Å; P636-F873 HydrophobicContact CG-CE1 3.6Å; P636-F873 HydrophobicContact CG-CE2 4.25Å; P636-F873 HydrophobicContact CG-CZ 3.68Å; F869-F873 VanDerWaalsContact O-CD2 3.31Å; F869-F873 WeakPolarHBondContact O-CD2 3.33Å; A870-F873 PolarHBondContact O-N 3Å; A870-F873 VanDerWaalsContact O-N 3.12Å; M871-F873 PolarHBondContact O-N 3.26Å; F873-R890 PolarHBondContact O-NH1 3.04Å
874	T	92.7	Very high	94.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-124.2	122.2	179.9	-48.1	0	0	0	0	109	Y583 N638 A870 M871 Q876 Y883 I886 I887 R890	Y583-T874 WeakPolarHBondContact OH-CG2 3.28Å; N638-T874 VanDerWaalsContact CB-O 3.24Å; N638-T874 WeakPolarHBondContact CB-O 3.32Å; N638-T874 PolarHBondContact ND2-O 3.48Å; A870-T874 PolarHBondContact O-N 3.16Å; A870-T874 PolarHBondContact O-OG1 3.37Å; M871-T874 PolarHBondContact O-N 3.05Å; M871-T874 VanDerWaalsContact O-O 3.14Å; T874-Q876 PolarHBondContact O-N 3.41Å; T874-Y883 HydrophobicContact CG2-CE2 3.95Å; T874-Y883 PolarHBondContact O-OH 3.47Å; T874-I886 HydrophobicContact CG2-CG2 4.07Å; T874-I887 VanDerWaalsContact CB-CD1 3.43Å; T874-I887 HydrophobicContact CG2-CD1 3.73Å; T874-I887 WeakPolarHBondContact OG1-CD1 3.16Å; T874-R890 PolarHBondContact OG1-NH1 3.14Å
875	K	89.1	Confident	94.3	Very high	60 Å²	60	14.6 Å²	14.6	26%	0.261	7%	0.069	S	C	.	.			trans	-52.1	127.5	179.7	-178.5	176.2	175.2	-153.3	0	111.1	D581 Y583 Y883	D581-K875 WeakPolarHBondContact O-CB 3.45Å; D581-K875 PolarHBondContact O-N 3.02Å; Y583-K875 HydrophobicContact CD1-CB 4.48Å; Y583-K875 HydrophobicContact CD2-CB 3.77Å; Y583-K875 HydrophobicContact CD2-CD 3.52Å; Y583-K875 HydrophobicContact CD2-CG 3.69Å; Y583-K875 HydrophobicContact CE1-CB 4.41Å; Y583-K875 HydrophobicContact CE2-CB 3.65Å; Y583-K875 HydrophobicContact CE2-CD 4.23Å; Y583-K875 HydrophobicContact CE2-CG 3.88Å; Y583-K875 WeakPolarHBondContact CE2-O 3.43Å; Y583-K875 HydrophobicContact CG-CB 4.17Å; Y583-K875 HydrophobicContact CG-CD 3.83Å; Y583-K875 HydrophobicContact CG-CG 4.34Å; Y583-K875 PolarHBondContact O-NZ 3.31Å; Y583-K875 PolarHBondContact OH-O 3.26Å; K875-Y883 VanDerWaalsContact O-CE2 3.27Å; K875-Y883 WeakPolarHBondContact O-CE2 3.33Å
876	Q	88.8	Confident	94.2	Very high	58 Å²	58	12 Å²	12	27%	0.271	6%	0.057	S	C	.	.			trans	-64.8	144.8	-176.2	-159.6	171.2	-25.2	0	0	111.9	N638 T765 S766 T874	N638-Q876 PolarHBondContact OD1-OE1 2.87Å; N638-Q876 VanDerWaalsContact OD1-OE1 3.05Å; T765-Q876 HydrophobicContact CG2-CG 3.58Å; S766-Q876 PolarHBondContact OG-NE2 3.28Å; T874-Q876 PolarHBondContact O-N 3.41Å
877	M	88.7	Confident	94.2	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	5%	0.05	C	C	.	.			trans	-118.7	152.7	165.1	-63.3	-171.1	60.3	0	0	110.4	Y583 T765 V838 Y843 Y848 I879 V882 Y883 I886	Y583-M877 HydrophobicContact CD2-CG 4.4Å; Y583-M877 HydrophobicContact CE2-CG 3.57Å; Y583-M877 HydrophobicContact CE2-SD 4.03Å; T765-M877 WeakPolarHBondContact CB-O 3.36Å; T765-M877 WeakPolarHBondContact CG2-O 3.43Å; T765-M877 PolarHBondContact OG1-O 2.78Å; V838-M877 HydrophobicContact CG1-CE 4.31Å; Y843-M877 HydrophobicContact CD2-CE 3.61Å; Y843-M877 HydrophobicContact CD2-SD 3.4Å; Y843-M877 WeakPolarHBondContact CD2-SD 3.38Å; Y843-M877 HydrophobicContact CE2-CE 4.31Å; Y843-M877 HydrophobicContact CE2-SD 3.78Å; Y843-M877 HydrophobicContact CG-CE 3.81Å; Y843-M877 HydrophobicContact CG-SD 4.22Å; Y848-M877 HydrophobicContact CE1-CE 3.83Å; M877-I879 VanDerWaalsContact C-N 3.31Å; M877-I879 PolarHBondContact O-N 3.41Å; M877-V882 HydrophobicContact CE-CG1 4.11Å; M877-V882 HydrophobicContact SD-CG1 4.17Å; M877-Y883 HydrophobicContact CB-CD2 4.36Å; M877-Y883 HydrophobicContact CG-CD2 4.47Å; M877-I886 HydrophobicContact CG-CD1 4.46Å; M877-I886 HydrophobicContact SD-CD1 3.26Å; M877-I886 WeakPolarHBondContact SD-CD1 3.44Å
878	R	89.8	Confident	94.2	Very high	32 Å²	32	10.7 Å²	10.7	12%	0.121	5%	0.05	C	C	.	.	S	Bend	trans	-72.9	-22.9	179.8	-65.3	178.3	-62.8	110.5	3.9	113.9	F762 A837 E842	F762-R878 HydrophobicContact CD1-CB 4.35Å; A837-R878 PolarHBondContact O-NH2 2.96Å; E842-R878 VanDerWaalsContact CD-NE 3.34Å; E842-R878 WeakPolarHBondContact OE1-CG 3.49Å; E842-R878 IonicContact OE1-CZ 3.62Å; E842-R878 PolarHBondContact OE1-N 3.2Å; E842-R878 IonicContact OE1-NE 2.8Å; E842-R878 PolarHBondContact OE1-NE 2.92Å; E842-R878 IonicContact OE1-NH2 3.29Å; E842-R878 IonicContact OE2-CZ 3.85Å; E842-R878 VanDerWaalsContact OE2-CZ 3.25Å; E842-R878 IonicContact OE2-NE 2.74Å; E842-R878 PolarHBondContact OE2-NE 3.13Å; E842-R878 IonicContact OE2-NH2 3.4Å; E842-R878 PolarHBondContact OE2-NH2 3.25Å
879	I	94.4	Very high	94.2	Very high	14 Å²	14	13.5 Å²	13.5	7%	0.072	6%	0.061	C	C	.	.			trans	-90.9	110.2	178.7	-53.6	-177.5	0	0	0	108	W836 V838 M877 D881 V882 Y883	W836-I879 HydrophobicContact CB-CD1 4.32Å; W836-I879 WeakPolarHBondContact O-CD1 3.09Å; V838-I879 HydrophobicContact CG2-CD1 3.55Å; V838-I879 HydrophobicContact CG2-CG1 4.25Å; M877-I879 VanDerWaalsContact C-N 3.31Å; M877-I879 PolarHBondContact O-N 3.41Å; I879-D881 WeakPolarHBondContact CG2-OD1 3.22Å; I879-V882 HydrophobicContact CB-CB 4.15Å; I879-V882 HydrophobicContact CB-CG2 4.29Å; I879-V882 HydrophobicContact CG2-CB 3.9Å; I879-V882 HydrophobicContact CG2-CG2 3.65Å; I879-Y883 WeakPolarHBondContact O-CB 3.46Å; I879-Y883 PolarHBondContact O-N 3.2Å
880	D	95.5	Very high	94.3	Very high	7 Å²	7	12.8 Å²	12.8	4%	0.037	6%	0.058	C	C	.	.	H	α-helix	trans	-69.2	-42.1	-168.2	62.1	-46.1	0	0	0	113.1	K668 L764 T765 M768 Y883 L884	K668-D880 IonicContact NZ-OD2 3.38Å; K668-D880 PolarHBondContact NZ-OD2 3.06Å; L764-D880 HydrophobicContact CB-CB 4.02Å; T765-D880 WeakPolarHBondContact OG1-CA 3.24Å; M768-D880 HydrophobicContact CE-CB 4.06Å; M768-D880 WeakPolarHBondContact CE-O 3.48Å; M768-D880 HydrophobicContact SD-CB 4.28Å; D880-Y883 PolarHBondContact O-N 3.33Å; D880-L884 PolarHBondContact O-N 3.47Å
881	D	96.1	Very high	94.3	Very high	22 Å²	22	13.3 Å²	13.3	12%	0.118	6%	0.061	C	C	.	.	H	α-helix	trans	-70	-41.5	-177.9	67.1	-14.9	0	0	0	112.3	Y851 F852 G854 I879 L884 G885	Y851-D881 HydrophobicContact CD2-CB 4.32Å; F852-D881 WeakPolarHBondContact O-CB 3.5Å; G854-D881 WeakPolarHBondContact CA-OD2 3.25Å; G854-D881 PolarHBondContact N-OD2 2.87Å; I879-D881 WeakPolarHBondContact CG2-OD1 3.22Å; D881-L884 PolarHBondContact O-N 3.34Å; D881-G885 PolarHBondContact O-N 3.48Å
882	V	95.8	Very high	94.4	Very high	2 Å²	2	19 Å²	19	1%	0.012	9%	0.091	C	C	.	.	H	α-helix	trans	-60.8	-45.9	168.3	171.9	0	0	0	0	111.3	Y848 Y851 M877 I879 L884 G885 I886	Y848-V882 HydrophobicContact CD1-CG1 3.34Å; Y848-V882 HydrophobicContact CD2-CG1 4.1Å; Y848-V882 HydrophobicContact CD2-CG2 3.82Å; Y848-V882 HydrophobicContact CE1-CG1 3.55Å; Y848-V882 HydrophobicContact CE2-CG1 4.24Å; Y848-V882 HydrophobicContact CE2-CG2 3.84Å; Y848-V882 HydrophobicContact CG-CG1 3.64Å; Y848-V882 HydrophobicContact CG-CG2 4.17Å; Y851-V882 HydrophobicContact CD1-CG2 4.3Å; Y851-V882 HydrophobicContact CD2-CG2 3.96Å; Y851-V882 HydrophobicContact CE1-CG2 4.04Å; Y851-V882 HydrophobicContact CE2-CG2 3.72Å; Y851-V882 HydrophobicContact CG-CG2 4.27Å; M877-V882 HydrophobicContact CE-CG1 4.11Å; M877-V882 HydrophobicContact SD-CG1 4.17Å; I879-V882 HydrophobicContact CB-CB 4.15Å; I879-V882 HydrophobicContact CB-CG2 4.29Å; I879-V882 HydrophobicContact CG2-CB 3.9Å; I879-V882 HydrophobicContact CG2-CG2 3.65Å; V882-L884 VanDerWaalsContact C-N 3.32Å; V882-L884 PolarHBondContact O-N 3.03Å; V882-G885 PolarHBondContact O-N 3.44Å; V882-G885 VanDerWaalsContact O-N 3.11Å; V882-I886 HydrophobicContact CG1-CD1 4.21Å; V882-I886 WeakPolarHBondContact O-CG1 3.29Å; V882-I886 PolarHBondContact O-N 2.73Å
883	Y	96.4	Very high	94.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.2	-44.6	177.7	-178.2	-117.9	0	0	0	111.2	N638 T765 M768 M769 M871 T874 K875 M877 I879 D880 G885 I886 I887	N638-Y883 PolarHBondContact ND2-OH 3.02Å; T765-Y883 HydrophobicContact CG2-CD1 3.37Å; T765-Y883 HydrophobicContact CG2-CE1 3.75Å; T765-Y883 HydrophobicContact CG2-CG 3.97Å; M768-Y883 HydrophobicContact CE-CD1 3.76Å; M769-Y883 HydrophobicContact CG-CE1 4.41Å; M769-Y883 HydrophobicContact SD-CE1 4.32Å; M871-Y883 WeakPolarHBondContact CA-OH 3.37Å; M871-Y883 HydrophobicContact CB-CE1 4.4Å; M871-Y883 HydrophobicContact CE-CD1 4.3Å; M871-Y883 HydrophobicContact CE-CE1 4.08Å; M871-Y883 HydrophobicContact CG-CE1 3.8Å; M871-Y883 PolarHBondContact O-OH 3.06Å; M871-Y883 HydrophobicContact SD-CE1 4.28Å; T874-Y883 HydrophobicContact CG2-CE2 3.95Å; T874-Y883 PolarHBondContact O-OH 3.47Å; K875-Y883 VanDerWaalsContact O-CE2 3.27Å; K875-Y883 WeakPolarHBondContact O-CE2 3.33Å; M877-Y883 HydrophobicContact CB-CD2 4.36Å; M877-Y883 HydrophobicContact CG-CD2 4.47Å; I879-Y883 WeakPolarHBondContact O-CB 3.46Å; I879-Y883 PolarHBondContact O-N 3.2Å; D880-Y883 PolarHBondContact O-N 3.33Å; Y883-G885 VanDerWaalsContact C-N 3.33Å; Y883-G885 PolarHBondContact O-N 3.25Å; Y883-I886 PolarHBondContact O-N 2.91Å; Y883-I887 HydrophobicContact CD1-CG1 4.47Å; Y883-I887 HydrophobicContact CE1-CD1 4.48Å; Y883-I887 HydrophobicContact CE1-CG1 4.24Å; Y883-I887 HydrophobicContact CE2-CD1 4.27Å; Y883-I887 HydrophobicContact CE2-CG1 4.4Å; Y883-I887 WeakPolarHBondContact O-CG1 3.12Å; Y883-I887 PolarHBondContact O-N 2.97Å
884	L	97.7	Very high	94.7	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-59.9	-42.2	174	-179.7	62.2	0	0	0	111.8	M768 Y857 L859 M871 D880 D881 V882 I886 I887 L888	M768-L884 HydrophobicContact CE-CB 4.08Å; M768-L884 HydrophobicContact SD-CB 3.9Å; M768-L884 HydrophobicContact SD-CD2 4.28Å; M768-L884 HydrophobicContact SD-CG 4.48Å; Y857-L884 HydrophobicContact CD1-CD2 4.39Å; Y857-L884 HydrophobicContact CD2-CD2 3.86Å; Y857-L884 HydrophobicContact CE1-CD2 3.92Å; Y857-L884 HydrophobicContact CE2-CD2 3.32Å; Y857-L884 HydrophobicContact CG-CD2 4.37Å; L859-L884 HydrophobicContact CD1-CD1 4.32Å; L859-L884 HydrophobicContact CD1-CD2 4.29Å; M871-L884 HydrophobicContact CE-CD1 4.32Å; D880-L884 PolarHBondContact O-N 3.47Å; D881-L884 PolarHBondContact O-N 3.34Å; V882-L884 VanDerWaalsContact C-N 3.32Å; V882-L884 PolarHBondContact O-N 3.03Å; L884-I886 VanDerWaalsContact C-N 3.33Å; L884-I886 PolarHBondContact O-N 3.03Å; L884-I887 WeakPolarHBondContact O-CB 3.32Å; L884-I887 PolarHBondContact O-N 3.32Å; L884-L888 HydrophobicContact CD1-CD1 4.2Å; L884-L888 HydrophobicContact CD1-CG 4.08Å; L884-L888 HydrophobicContact CD2-CD1 4.5Å; L884-L888 HydrophobicContact CG-CD1 3.94Å; L884-L888 HydrophobicContact CG-CG 4.24Å; L884-L888 VanDerWaalsContact O-CG 3.31Å; L884-L888 WeakPolarHBondContact O-CG 3.37Å; L884-L888 PolarHBondContact O-N 3.33Å
885	G	96.8	Very high	94.9	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-57.4	-43.4	174.8	0	0	0	0	0	113.2	D881 V882 Y883 L888 K889	D881-G885 PolarHBondContact O-N 3.48Å; V882-G885 PolarHBondContact O-N 3.44Å; V882-G885 VanDerWaalsContact O-N 3.11Å; Y883-G885 VanDerWaalsContact C-N 3.33Å; Y883-G885 PolarHBondContact O-N 3.25Å; G885-L888 PolarHBondContact O-N 3.43Å; G885-K889 WeakPolarHBondContact O-CB 3.48Å; G885-K889 PolarHBondContact O-N 3.06Å
886	I	95.5	Very high	95.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.2	-47.2	174.3	-65.4	164.4	0	0	0	110.4	Y583 P614 Y843 P849 T874 M877 V882 Y883 L884 L888 K889 R890	Y583-I886 HydrophobicContact CE1-CG2 4.49Å; P614-I886 HydrophobicContact CB-CG2 4.15Å; P614-I886 HydrophobicContact CG-CG2 4.16Å; Y843-I886 HydrophobicContact CD2-CD1 4.47Å; Y843-I886 HydrophobicContact CE2-CD1 3.72Å; P849-I886 HydrophobicContact CG-CB 4.41Å; P849-I886 HydrophobicContact CG-CG1 3.64Å; T874-I886 HydrophobicContact CG2-CG2 4.07Å; M877-I886 HydrophobicContact CG-CD1 4.46Å; M877-I886 HydrophobicContact SD-CD1 3.26Å; M877-I886 WeakPolarHBondContact SD-CD1 3.44Å; V882-I886 HydrophobicContact CG1-CD1 4.21Å; V882-I886 WeakPolarHBondContact O-CG1 3.29Å; V882-I886 PolarHBondContact O-N 2.73Å; Y883-I886 PolarHBondContact O-N 2.91Å; L884-I886 VanDerWaalsContact C-N 3.33Å; L884-I886 PolarHBondContact O-N 3.03Å; I886-L888 PolarHBondContact O-N 2.67Å; I886-K889 PolarHBondContact O-N 3.34Å; I886-R890 WeakPolarHBondContact O-CG 3.25Å; I886-R890 PolarHBondContact O-N 2.78Å
887	I	97.5	Very high	95.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.1	-47.2	177.2	-64.6	-65.8	0	0	0	111.5	A867 A870 M871 T874 Y883 L884 K889 R890 L891	A867-I887 HydrophobicContact CB-CG2 3.86Å; A870-I887 HydrophobicContact CB-CD1 4.36Å; A870-I887 HydrophobicContact CB-CG2 3.98Å; M871-I887 HydrophobicContact CB-CD1 4.36Å; M871-I887 HydrophobicContact CE-CG1 4.22Å; M871-I887 HydrophobicContact CG-CD1 3.76Å; M871-I887 HydrophobicContact CG-CG1 3.87Å; T874-I887 VanDerWaalsContact CB-CD1 3.43Å; T874-I887 HydrophobicContact CG2-CD1 3.73Å; T874-I887 WeakPolarHBondContact OG1-CD1 3.16Å; Y883-I887 HydrophobicContact CD1-CG1 4.47Å; Y883-I887 HydrophobicContact CE1-CD1 4.48Å; Y883-I887 HydrophobicContact CE1-CG1 4.24Å; Y883-I887 HydrophobicContact CE2-CD1 4.27Å; Y883-I887 HydrophobicContact CE2-CG1 4.4Å; Y883-I887 WeakPolarHBondContact O-CG1 3.12Å; Y883-I887 PolarHBondContact O-N 2.97Å; L884-I887 WeakPolarHBondContact O-CB 3.32Å; L884-I887 PolarHBondContact O-N 3.32Å; I887-K889 VanDerWaalsContact C-N 3.35Å; I887-K889 PolarHBondContact O-N 3.44Å; I887-R890 WeakPolarHBondContact O-CB 3.41Å; I887-R890 PolarHBondContact O-N 3.47Å; I887-L891 HydrophobicContact CG2-CD1 3.97Å; I887-L891 WeakPolarHBondContact O-CG 3.35Å; I887-L891 PolarHBondContact O-N 3.28Å
888	L	98.1	Very high	96	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.4	-37.4	-179.9	-67.1	176.3	0	0	0	111.8	A816 F852 L859 V863 L884 G885 I886 L891 N892 R893 L895	A816-L888 HydrophobicContact CB-CD1 4.44Å; F852-L888 HydrophobicContact CD2-CD1 4.31Å; F852-L888 HydrophobicContact CE2-CD1 3.7Å; L859-L888 HydrophobicContact CD2-CD1 4.32Å; V863-L888 HydrophobicContact CG1-CD2 3.45Å; V863-L888 VanDerWaalsContact CG1-CD2 3.45Å; L884-L888 HydrophobicContact CD1-CD1 4.2Å; L884-L888 HydrophobicContact CD1-CG 4.08Å; L884-L888 HydrophobicContact CD2-CD1 4.5Å; L884-L888 HydrophobicContact CG-CD1 3.94Å; L884-L888 HydrophobicContact CG-CG 4.24Å; L884-L888 VanDerWaalsContact O-CG 3.31Å; L884-L888 WeakPolarHBondContact O-CG 3.37Å; L884-L888 PolarHBondContact O-N 3.33Å; G885-L888 PolarHBondContact O-N 3.43Å; I886-L888 PolarHBondContact O-N 2.67Å; L888-L891 CarbonylContact O-C 3.55Å; L888-L891 PolarHBondContact O-N 3.41Å; L888-N892 PolarHBondContact O-N 2.65Å; L888-R893 HydrophobicContact CB-CB 4.31Å; L888-R893 HydrophobicContact CD2-CB 4.29Å; L888-R893 HydrophobicContact CD2-CG 4.26Å; L888-R893 PolarHBondContact O-N 3.34Å; L888-L895 HydrophobicContact CB-CD2 3.93Å; L888-L895 HydrophobicContact CD1-CD2 3.58Å; L888-L895 HydrophobicContact CG-CD2 4.37Å
889	K	95.7	Very high	96.1	Very high	68 Å²	68	35.8 Å²	35.8	30%	0.296	19%	0.186	S	C	.	.	H	α-helix	trans	-62.7	-43.1	172.4	-175.3	64.2	172.2	-172.6	0	111.5	P614 P849 G885 I886 I887 L891 N892	P614-K889 HydrophobicContact CG-CB 4Å; P614-K889 HydrophobicContact CG-CG 3.76Å; P849-K889 HydrophobicContact CB-CB 4.08Å; P849-K889 HydrophobicContact CB-CD 4.49Å; P849-K889 HydrophobicContact CB-CG 3.96Å; P849-K889 HydrophobicContact CG-CB 4.42Å; G885-K889 WeakPolarHBondContact O-CB 3.48Å; G885-K889 PolarHBondContact O-N 3.06Å; I886-K889 PolarHBondContact O-N 3.34Å; I887-K889 VanDerWaalsContact C-N 3.35Å; I887-K889 PolarHBondContact O-N 3.44Å; K889-L891 VanDerWaalsContact C-N 3.27Å; K889-L891 PolarHBondContact O-N 2.75Å; K889-N892 WeakPolarHBondContact O-CA 3.2Å; K889-N892 PolarHBondContact O-N 3.21Å
890	R	95.1	Very high	95.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-34.8	173.7	-73.1	-167.9	72.1	-170.2	4.5	113	F579 D581 P614 K615 Y616 F617 F873 T874 I886 I887 N892	F579-R890 PolarHBondContact O-NH2 2.67Å; D581-R890 VanDerWaalsContact CB-CZ 3.43Å; D581-R890 IonicContact OD2-NE 2.77Å; P614-R890 HydrophobicContact CB-CG 3.38Å; P614-R890 HydrophobicContact CG-CG 3.55Å; K615-R890 PolarHBondContact O-NE 3Å; K615-R890 PolarHBondContact O-NH2 2.98Å; Y616-R890 CarbonylContact C-O 3.5Å; Y616-R890 VanDerWaalsContact CA-O 3.26Å; Y616-R890 WeakPolarHBondContact CA-O 3.48Å; Y616-R890 WeakPolarHBondContact CD2-O 3.44Å; F617-R890 HydrophobicContact CB-CB 4.25Å; F617-R890 PolarHBondContact N-O 2.79Å; F873-R890 PolarHBondContact O-NH1 3.04Å; T874-R890 PolarHBondContact OG1-NH1 3.14Å; I886-R890 WeakPolarHBondContact O-CG 3.25Å; I886-R890 PolarHBondContact O-N 2.78Å; I887-R890 WeakPolarHBondContact O-CB 3.41Å; I887-R890 PolarHBondContact O-N 3.47Å; R890-N892 PolarHBondContact O-N 3.43Å
891	L	97.6	Very high	95.8	Very high	12 Å²	12	37.1 Å²	37.1	6%	0.063	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	1.8	175.6	-68.4	170	0	0	0	112.9	F617 V619 D866 A867 A870 I887 L888 K889 R893	F617-L891 HydrophobicContact CB-CD2 4.47Å; F617-L891 HydrophobicContact CD1-CD2 4.01Å; V619-L891 HydrophobicContact CG2-CD2 3.49Å; V619-L891 VanDerWaalsContact CG2-CD2 3.49Å; D866-L891 HydrophobicContact CB-CD1 3.84Å; D866-L891 HydrophobicContact CB-CD2 4.02Å; A867-L891 HydrophobicContact CB-CD1 4.29Å; A870-L891 HydrophobicContact CB-CD1 4.28Å; A870-L891 HydrophobicContact CB-CD2 4.11Å; A870-L891 HydrophobicContact CB-CG 4.21Å; I887-L891 HydrophobicContact CG2-CD1 3.97Å; I887-L891 WeakPolarHBondContact O-CG 3.35Å; I887-L891 PolarHBondContact O-N 3.28Å; L888-L891 CarbonylContact O-C 3.55Å; L888-L891 PolarHBondContact O-N 3.41Å; K889-L891 VanDerWaalsContact C-N 3.27Å; K889-L891 PolarHBondContact O-N 2.75Å; L891-R893 HydrophobicContact CB-CG 3.78Å; L891-R893 PolarHBondContact O-N 3.39Å
892	N	95.8	Very high	95.5	Very high	119 Å²	119	38.7 Å²	38.7	64%	0.636	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	39.2	-174.3	-163.6	36.7	0	0	0	112.7	Y616 L888 K889 R890	Y616-N892 HydrophobicContact CD2-CB 3.98Å; Y616-N892 HydrophobicContact CE2-CB 4.04Å; L888-N892 PolarHBondContact O-N 2.65Å; K889-N892 WeakPolarHBondContact O-CA 3.2Å; K889-N892 PolarHBondContact O-N 3.21Å; R890-N892 PolarHBondContact O-N 3.43Å
893	R	96.5	Very high	95.1	Very high	71 Å²	71	43 Å²	43	27%	0.268	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-85.8	130.9	178.2	-65.4	-66.1	-176.5	174.1	-1.8	110.1	D866 L888 L891	D866-R893 IonicContact OD2-CZ 3.66Å; D866-R893 IonicContact OD2-NH2 3.67Å; D866-R893 PolarHBondContact OD2-NH2 2.95Å; L888-R893 HydrophobicContact CB-CB 4.31Å; L888-R893 HydrophobicContact CD2-CB 4.29Å; L888-R893 HydrophobicContact CD2-CG 4.26Å; L888-R893 PolarHBondContact O-N 3.34Å; L891-R893 HydrophobicContact CB-CG 3.78Å; L891-R893 PolarHBondContact O-N 3.39Å
894	T	95.2	Very high	94.7	Very high	123 Å²	123	49.3 Å²	49.3	76%	0.755	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-74.2	126.5	170.8	-55.6	0	0	0	0	109.5
895	L	97.7	Very high	94.4	Very high	32 Å²	32	49.7 Å²	49.7	17%	0.168	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-87.8	123.7	175.5	-51.3	-170.7	0	0	0	109.8	A816 V820 R850 F852 L888	A816-L895 HydrophobicContact CB-CD2 4.29Å; V820-L895 HydrophobicContact CG1-CB 4.4Å; V820-L895 HydrophobicContact CG1-CD1 4.41Å; V820-L895 HydrophobicContact CG2-CB 3.69Å; R850-L895 HydrophobicContact CB-CD1 3.99Å; R850-L895 VanDerWaalsContact O-CD1 3.29Å; R850-L895 WeakPolarHBondContact O-CD1 3.48Å; F852-L895 HydrophobicContact CE1-CB 3.9Å; F852-L895 HydrophobicContact CE1-CD1 4.4Å; F852-L895 HydrophobicContact CE1-CD2 4.4Å; F852-L895 HydrophobicContact CE1-CG 4.46Å; F852-L895 HydrophobicContact CE2-CD2 4.06Å; F852-L895 HydrophobicContact CZ-CB 3.97Å; F852-L895 HydrophobicContact CZ-CD1 4.41Å; F852-L895 HydrophobicContact CZ-CD2 3.7Å; F852-L895 HydrophobicContact CZ-CG 4.23Å; L888-L895 HydrophobicContact CB-CD2 3.93Å; L888-L895 HydrophobicContact CD1-CD2 3.58Å; L888-L895 HydrophobicContact CG-CD2 4.37Å
896	T	97.2	Very high	94.1	Very high	54 Å²	54	50.9 Å²	50.9	33%	0.331	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	119.8	176.8	-55.6	0	0	0	0	109.4	A816 A817 G818	A816-T896 PolarHBondContact O-N 3.14Å; A817-T896 VanDerWaalsContact CA-O 3.23Å; A817-T896 WeakPolarHBondContact CA-O 3.28Å; A817-T896 HydrophobicContact CB-CG2 4.37Å; G818-T896 PolarHBondContact N-O 3.33Å
897	H	96.7	Very high	93.8	Very high	90 Å²	90	55 Å²	55	42%	0.417	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	138.2	173.4	-171.3	84.9	0	0	0	110.3	G818 V820 D899	G818-H897 CarbonylContact O-C 3.46Å; G818-H897 WeakPolarHBondContact O-CA 3.38Å; V820-H897 HydrophobicContact CB-CB 4.18Å; V820-H897 HydrophobicContact CG2-CB 4.04Å; V820-H897 PolarHBondContact N-ND1 3.12Å; V820-H897 VanDerWaalsContact N-ND1 3.13Å; V820-H897 PolarHBondContact O-ND1 2.8Å; H897-D899 IonicContact CD2-OD1 3.49Å; H897-D899 PolarHBondContact CD2-OD1 2.88Å; H897-D899 VanDerWaalsContact CD2-OD1 3.26Å; H897-D899 IonicContact NE2-OD1 3.65Å
898	L	95.4	Very high	93.5	Very high	15 Å²	15	60.6 Å²	60.6	8%	0.079	32%	0.319	C	S	.	.			trans	-114.4	107.5	175.5	-64.6	179.1	0	0	0	109.8	L803 A817 G818 F858 N900 I901	L803-L898 HydrophobicContact CD1-CD2 4.35Å; L803-L898 HydrophobicContact CD2-CD1 4.22Å; A817-L898 HydrophobicContact CB-CD1 3.86Å; A817-L898 HydrophobicContact CB-CD2 4.19Å; A817-L898 HydrophobicContact CB-CG 3.96Å; G818-L898 PolarHBondContact O-N 2.85Å; F858-L898 HydrophobicContact CD2-CD1 3.8Å; F858-L898 HydrophobicContact CE2-CD1 4.09Å; L898-N900 PolarHBondContact O-N 2.97Å; L898-N900 VanDerWaalsContact O-N 3.09Å; L898-I901 HydrophobicContact CB-CD1 4Å; L898-I901 HydrophobicContact CB-CG1 4.09Å; L898-I901 HydrophobicContact CD1-CD1 3.94Å; L898-I901 PolarHBondContact O-N 3.01Å
899	D	90.9	Very high	93.3	Very high	120 Å²	120	64 Å²	64	64%	0.642	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.5	180	-58.1	-43.8	0	0	0	113.1	H897 I901 H902	H897-D899 IonicContact CD2-OD1 3.49Å; H897-D899 PolarHBondContact CD2-OD1 2.88Å; H897-D899 VanDerWaalsContact CD2-OD1 3.26Å; H897-D899 IonicContact NE2-OD1 3.65Å; D899-I901 PolarHBondContact O-N 2.75Å; D899-H902 PolarHBondContact O-CE1 3.44Å; D899-H902 PolarHBondContact O-NE2 3.29Å
900	N	90.9	Very high	93.1	Very high	39 Å²	39	60.8 Å²	60.8	21%	0.209	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	11.6	-179.9	-65.1	21.9	0	0	0	113.5	L898 G913 T914 F915	L898-N900 PolarHBondContact O-N 2.97Å; L898-N900 VanDerWaalsContact O-N 3.09Å; N900-G913 PolarHBondContact ND2-O 3.17Å; N900-T914 WeakPolarHBondContact O-CA 3.46Å; N900-F915 HydrophobicContact CB-CD1 4.44Å
901	I	92.7	Very high	92.9	Very high	9 Å²	9	66.4 Å²	66.4	5%	0.046	35%	0.345	C	S	.	.			trans	-114.3	117.1	175.3	-60.1	-178.7	0	0	0	108.3	I855 L898 D899 F915 L916	I855-I901 HydrophobicContact CD1-CG2 3.49Å; I855-I901 VanDerWaalsContact CD1-CG2 3.49Å; I855-I901 HydrophobicContact CG1-CG2 4.13Å; L898-I901 HydrophobicContact CB-CD1 4Å; L898-I901 HydrophobicContact CB-CG1 4.09Å; L898-I901 HydrophobicContact CD1-CD1 3.94Å; L898-I901 PolarHBondContact O-N 3.01Å; D899-I901 PolarHBondContact O-N 2.75Å; I901-F915 HydrophobicContact CD1-CE1 3.85Å; I901-F915 HydrophobicContact CD1-CZ 3.77Å; I901-F915 HydrophobicContact CG1-CD1 4.45Å; I901-F915 HydrophobicContact CG1-CE1 3.45Å; I901-F915 VanDerWaalsContact CG1-CE1 3.45Å; I901-F915 HydrophobicContact CG1-CZ 3.83Å; I901-L916 HydrophobicContact CD1-CD1 3.99Å; I901-L916 HydrophobicContact CG1-CD1 4.08Å; I901-L916 HydrophobicContact CG2-CD1 3.92Å
902	H	90	Very high	92.7	Very high	56 Å²	56	69.6 Å²	69.6	26%	0.259	37%	0.368	S	S	.	.			trans	-121.2	147.4	175.4	-55.2	-88.5	0	0	0	109.7	D899 P905 H909 T914	D899-H902 PolarHBondContact O-CE1 3.44Å; D899-H902 PolarHBondContact O-NE2 3.29Å; H902-P905 HydrophobicContact CB-CB 4.11Å; H902-P905 WeakPolarHBondContact O-CD 3.29Å; H902-H909 AromaticContact CD2-CD2 3.86Å; H902-H909 AromaticContact CE1-CD2 3.46Å; H902-H909 PolarHBondContact CE1-CD2 3.16Å; H902-H909 VanDerWaalsContact CE1-CD2 3.46Å; H902-H909 AromaticContact CE1-NE2 3.88Å; H902-H909 AromaticContact ND1-CD2 3.88Å; H902-H909 AromaticContact NE2-CD2 3.41Å; H902-H909 PolarHBondContact NE2-CD2 2.78Å; H902-H909 AromaticContact NE2-CG 4Å; H902-T914 PolarHBondContact CD2-OG1 3.4Å
903	I	87.5	Confident	92.6	Very high	92 Å²	92	64.5 Å²	64.5	47%	0.472	34%	0.344	S	S	.	.	S	Bend	trans	-67.3	-47.1	175.1	-60.2	172.1	0	0	0	110	Y793 L853 I855 P905	Y793-I903 PolarHBondContact OH-O 3.27Å; Y793-I903 VanDerWaalsContact OH-O 3.09Å; L853-I903 HydrophobicContact CD1-CD1 3.83Å; L853-I903 HydrophobicContact CD1-CG1 3.98Å; I855-I903 HydrophobicContact CD1-CG1 4.31Å; I903-P905 WeakPolarHBondContact O-CD 3.48Å
904	N	87.9	Confident	92.6	Very high	133 Å²	133	61.1 Å²	61.1	71%	0.711	33%	0.331	S	S	*	.	S	Bend	trans	-123	74.2	177.4	-67.3	-35.8	0	0	0	109.6
905	P	90.9	Very high	92.6	Very high	10 Å²	10	55.3 Å²	55.3	7%	0.065	30%	0.295	C	S	.	.			trans	-61.9	148.8	177.3	27	-34.2	0	0	0	110.8	H902 I903 H909 T914 T918 L921	H902-P905 HydrophobicContact CB-CB 4.11Å; H902-P905 WeakPolarHBondContact O-CD 3.29Å; I903-P905 WeakPolarHBondContact O-CD 3.48Å; P905-H909 HydrophobicContact CB-CB 4.13Å; P905-T914 HydrophobicContact CB-CG2 3.87Å; P905-T914 HydrophobicContact CG-CG2 4.42Å; P905-T918 HydrophobicContact CG-CG2 4.29Å; P905-L921 HydrophobicContact CB-CD1 3.8Å; P905-L921 HydrophobicContact CG-CD1 3.77Å; P905-L921 WeakPolarHBondContact O-CD1 3.4Å
906	G	90.9	Very high	92.6	Very high	26 Å²	26	53.8 Å²	53.8	27%	0.268	29%	0.287	S	S	.	.			trans	-110.8	177.2	174.5	0	0	0	0	0	110.4	D908 H909 L910	G906-D908 VanDerWaalsContact C-N 3.26Å; G906-D908 PolarHBondContact O-N 2.79Å; G906-H909 PolarHBondContact N-ND1 3.3Å; G906-H909 WeakPolarHBondContact O-CB 3.22Å; G906-H909 PolarHBondContact O-N 3.44Å; G906-L910 PolarHBondContact O-N 2.68Å; G906-L910 VanDerWaalsContact O-N 3.08Å
907	K	89.3	Confident	92.5	Very high	85 Å²	85	51.2 Å²	51.2	37%	0.37	27%	0.271	S	S	.	.	H	α-helix	trans	-56.6	-39.3	178.1	-174.2	-179.6	-178.5	178.7	0	112.7	L910 K911	K907-L910 WeakPolarHBondContact O-CB 3.18Å; K907-L910 PolarHBondContact O-N 3.36Å; K907-K911 PolarHBondContact O-N 2.74Å
908	D	91.3	Very high	92.3	Very high	119 Å²	119	48.3 Å²	48.3	64%	0.636	26%	0.26	S	S	*	.	H	α-helix	trans	-71.4	-35.4	-179.3	-59.4	-37.4	0	0	0	112.2	G906 L910 K911 S912	G906-D908 VanDerWaalsContact C-N 3.26Å; G906-D908 PolarHBondContact O-N 2.79Å; D908-L910 VanDerWaalsContact C-N 3.33Å; D908-L910 PolarHBondContact O-N 2.78Å; D908-K911 PolarHBondContact O-N 3.33Å; D908-S912 PolarHBondContact O-N 2.77Å; D908-S912 PolarHBondContact O-OG 3.48Å
909	H	94	Very high	92	Very high	72 Å²	72	52.2 Å²	52.2	33%	0.333	27%	0.274	S	S	.	.	H	α-helix	trans	-61.7	-40.6	171.5	-60.5	115.5	0	0	0	111.6	H902 P905 G906 K911 S912 G913 T914	H902-H909 AromaticContact CD2-CD2 3.86Å; H902-H909 AromaticContact CE1-CD2 3.46Å; H902-H909 PolarHBondContact CE1-CD2 3.16Å; H902-H909 VanDerWaalsContact CE1-CD2 3.46Å; H902-H909 AromaticContact CE1-NE2 3.88Å; H902-H909 AromaticContact ND1-CD2 3.88Å; H902-H909 AromaticContact NE2-CD2 3.41Å; H902-H909 PolarHBondContact NE2-CD2 2.78Å; H902-H909 AromaticContact NE2-CG 4Å; P905-H909 HydrophobicContact CB-CB 4.13Å; G906-H909 PolarHBondContact N-ND1 3.3Å; G906-H909 WeakPolarHBondContact O-CB 3.22Å; G906-H909 PolarHBondContact O-N 3.44Å; H909-K911 VanDerWaalsContact C-N 3.33Å; H909-K911 PolarHBondContact O-N 3.37Å; H909-S912 WeakPolarHBondContact CA-OG 3.49Å; H909-S912 PolarHBondContact O-N 2.83Å; H909-S912 PolarHBondContact O-OG 2.8Å; H909-G913 PolarHBondContact O-N 3.32Å; H909-T914 VanDerWaalsContact C-OG1 3.25Å; H909-T914 WeakPolarHBondContact CB-OG1 3.18Å; H909-T914 WeakPolarHBondContact O-CB 3.27Å; H909-T914 PolarHBondContact O-N 2.77Å; H909-T914 PolarHBondContact O-OG1 3.29Å
910	L	92.1	Very high	91.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-42.9	176.1	-179.3	53.5	0	0	0	111.4	H796 N799 G906 K907 D908 S912 G913 I917 H925 V926 I933	H796-L910 HydrophobicContact CB-CD1 4Å; N799-L910 PolarHBondContact ND2-O 3.47Å; G906-L910 PolarHBondContact O-N 2.68Å; G906-L910 VanDerWaalsContact O-N 3.08Å; K907-L910 WeakPolarHBondContact O-CB 3.18Å; K907-L910 PolarHBondContact O-N 3.36Å; D908-L910 VanDerWaalsContact C-N 3.33Å; D908-L910 PolarHBondContact O-N 2.78Å; L910-S912 VanDerWaalsContact C-N 3.35Å; L910-G913 PolarHBondContact O-N 2.72Å; L910-I917 HydrophobicContact CD1-CG2 3.67Å; L910-H925 HydrophobicContact CD2-CB 4.1Å; L910-V926 HydrophobicContact CD2-CG2 3.98Å; L910-I933 HydrophobicContact CD1-CD1 4.39Å; L910-I933 HydrophobicContact CD2-CD1 4.42Å; L910-I933 HydrophobicContact CD2-CG1 4.13Å; L910-I933 HydrophobicContact CD2-CG2 4.34Å; L910-I933 HydrophobicContact CG-CD1 3.74Å; L910-I933 HydrophobicContact CG-CG1 3.94Å
911	K	91.6	Very high	92	Very high	118 Å²	118	51.7 Å²	51.7	51%	0.513	26%	0.261	S	S	.	.	H	α-helix	trans	-66.6	-32.3	174.7	-69.4	178.8	175.8	-179	0	113.3	K907 D908 H909 G913 I933	K907-K911 PolarHBondContact O-N 2.74Å; D908-K911 PolarHBondContact O-N 3.33Å; H909-K911 VanDerWaalsContact C-N 3.33Å; H909-K911 PolarHBondContact O-N 3.37Å; K911-G913 PolarHBondContact O-N 3.36Å; K911-I933 HydrophobicContact CG-CD1 4.07Å
912	S	92.3	Very high	91.9	Very high	79 Å²	79	51.3 Å²	51.3	55%	0.552	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	4.9	178.3	70	0	0	0	0	114.2	D908 H909 L910	D908-S912 PolarHBondContact O-N 2.77Å; D908-S912 PolarHBondContact O-OG 3.48Å; H909-S912 WeakPolarHBondContact CA-OG 3.49Å; H909-S912 PolarHBondContact O-N 2.83Å; H909-S912 PolarHBondContact O-OG 2.8Å; L910-S912 VanDerWaalsContact C-N 3.35Å
913	G	93.9	Very high	91.8	Very high	12 Å²	12	53.3 Å²	53.3	12%	0.124	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.6	13.8	174.8	0	0	0	0	0	114.7	N799 N900 H909 L910 K911 F915	N799-G913 WeakPolarHBondContact ND2-CA 3.15Å; N900-G913 PolarHBondContact ND2-O 3.17Å; H909-G913 PolarHBondContact O-N 3.32Å; L910-G913 PolarHBondContact O-N 2.72Å; K911-G913 PolarHBondContact O-N 3.36Å; G913-F915 PolarHBondContact O-N 2.83Å
914	T	96.1	Very high	91.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.266	C	S	.	.			trans	-59.9	125.5	170.1	-64.1	0	0	0	0	110.2	N799 N900 H902 P905 H909 L916 I917	N799-T914 PolarHBondContact ND2-O 3.05Å; N900-T914 WeakPolarHBondContact O-CA 3.46Å; H902-T914 PolarHBondContact CD2-OG1 3.4Å; P905-T914 HydrophobicContact CB-CG2 3.87Å; P905-T914 HydrophobicContact CG-CG2 4.42Å; H909-T914 VanDerWaalsContact C-OG1 3.25Å; H909-T914 WeakPolarHBondContact CB-OG1 3.18Å; H909-T914 WeakPolarHBondContact O-CB 3.27Å; H909-T914 PolarHBondContact O-N 2.77Å; H909-T914 PolarHBondContact O-OG1 3.29Å; T914-L916 WeakPolarHBondContact CG2-O 3.31Å; T914-I917 HydrophobicContact CG2-CG2 4.45Å
915	F	96.4	Very high	92.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.			trans	-105.3	-27.6	-176.8	76.4	-83.2	0	0	0	113	L787 L795 H796 N799 T800 L803 F858 N900 I901 G913	L787-F915 HydrophobicContact CD1-CE2 4.41Å; L787-F915 HydrophobicContact CD2-CE2 4.21Å; L795-F915 CarbonylContact C-O 3.57Å; L795-F915 VanDerWaalsContact CA-O 3.32Å; L795-F915 WeakPolarHBondContact CA-O 3.23Å; L795-F915 HydrophobicContact CD2-CD2 3.88Å; L795-F915 HydrophobicContact CD2-CE2 4.1Å; H796-F915 PolarHBondContact N-O 2.88Å; N799-F915 HydrophobicContact CB-CB 3.85Å; T800-F915 HydrophobicContact CG2-CD2 4.36Å; L803-F915 HydrophobicContact CD2-CD1 3.57Å; L803-F915 HydrophobicContact CD2-CE1 3.46Å; L803-F915 VanDerWaalsContact CD2-CE1 3.46Å; L803-F915 HydrophobicContact CD2-CG 4.31Å; L803-F915 HydrophobicContact CD2-CZ 4.14Å; F858-F915 HydrophobicContact CD2-CZ 4.38Å; F858-F915 HydrophobicContact CE2-CE1 4.12Å; F858-F915 AromaticContact CE2-CE2 3.76Å; F858-F915 HydrophobicContact CE2-CE2 3.76Å; F858-F915 AromaticContact CE2-CZ 3.41Å; F858-F915 HydrophobicContact CE2-CZ 3.41Å; F858-F915 VanDerWaalsContact CE2-CZ 3.41Å; F858-F915 AromaticContact CZ-CE2 3.81Å; F858-F915 HydrophobicContact CZ-CE2 3.81Å; F858-F915 AromaticContact CZ-CZ 3.97Å; F858-F915 HydrophobicContact CZ-CZ 3.97Å; N900-F915 HydrophobicContact CB-CD1 4.44Å; I901-F915 HydrophobicContact CD1-CE1 3.85Å; I901-F915 HydrophobicContact CD1-CZ 3.77Å; I901-F915 HydrophobicContact CG1-CD1 4.45Å; I901-F915 HydrophobicContact CG1-CE1 3.45Å; I901-F915 VanDerWaalsContact CG1-CE1 3.45Å; I901-F915 HydrophobicContact CG1-CZ 3.83Å; G913-F915 PolarHBondContact O-N 2.83Å
916	L	96.1	Very high	92.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117	169.8	-77.1	166.6	0	0	0	109.5	I789 Y793 L794 L795 I901 T914	I789-L916 HydrophobicContact CB-CD2 4.35Å; I789-L916 HydrophobicContact CG2-CD2 3.62Å; Y793-L916 HydrophobicContact CD1-CB 4.45Å; L794-L916 WeakPolarHBondContact O-CA 3.38Å; L795-L916 HydrophobicContact CD2-CD2 3.62Å; L795-L916 HydrophobicContact CD2-CG 4.36Å; I901-L916 HydrophobicContact CD1-CD1 3.99Å; I901-L916 HydrophobicContact CG1-CD1 4.08Å; I901-L916 HydrophobicContact CG2-CD1 3.92Å; T914-L916 WeakPolarHBondContact CG2-O 3.31Å
917	I	95.5	Very high	92.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	152.7	-176.2	64.6	177.3	0	0	0	111.4	L794 L910 T914 L921 A922 V926 W928	L794-I917 HydrophobicContact CB-CD1 4.48Å; L794-I917 HydrophobicContact CB-CG1 3.87Å; L794-I917 PolarHBondContact N-O 2.77Å; L794-I917 PolarHBondContact O-N 3.22Å; L910-I917 HydrophobicContact CD1-CG2 3.67Å; T914-I917 HydrophobicContact CG2-CG2 4.45Å; I917-L921 HydrophobicContact CB-CB 4.21Å; I917-L921 HydrophobicContact CB-CD1 4.2Å; I917-L921 HydrophobicContact CG2-CD1 4.21Å; I917-A922 HydrophobicContact CD1-CB 4.04Å; I917-V926 HydrophobicContact CD1-CG2 3.8Å; I917-W928 HydrophobicContact CD1-CH2 4.4Å; I917-W928 HydrophobicContact CD1-CZ2 4.28Å
918	T	93	Very high	92.2	Very high	30 Å²	30	47.4 Å²	47.4	18%	0.184	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	161.4	173.6	61.8	0	0	0	0	110.9	Y793 P905 Y920 L921 A922	Y793-T918 HydrophobicContact CE1-CG2 4.42Å; P905-T918 HydrophobicContact CG-CG2 4.29Å; T918-Y920 PolarHBondContact O-N 3.36Å; T918-L921 PolarHBondContact O-N 3.39Å; T918-L921 VanDerWaalsContact O-N 3.15Å; T918-A922 PolarHBondContact O-N 3.35Å
919	R	88.8	Confident	91.9	Very high	96 Å²	96	47.8 Å²	47.8	36%	0.362	24%	0.238	S	C	.	.	H	α-helix	trans	-53.3	-38.5	173.2	-176.8	170	179.9	149.8	5	113.1	F679 L794 L921 A922 E923	F679-R919 HydrophobicContact CE1-CG 4.05Å; F679-R919 HydrophobicContact CZ-CG 4.49Å; L794-R919 HydrophobicContact CD1-CB 4.25Å; R919-L921 PolarHBondContact O-N 3.49Å; R919-A922 WeakPolarHBondContact O-CB 3.41Å; R919-A922 PolarHBondContact O-N 3.07Å; R919-E923 HydrophobicContact CG-CG 4.25Å; R919-E923 IonicContact CZ-OE1 3.01Å; R919-E923 VanDerWaalsContact CZ-OE1 3.29Å; R919-E923 IonicContact NE-OE1 3.12Å; R919-E923 PolarHBondContact NE-OE1 3.37Å; R919-E923 IonicContact NE-OE2 3.54Å; R919-E923 IonicContact NH2-OE1 2.63Å; R919-E923 PolarHBondContact NH2-OE1 2.91Å; R919-E923 WeakPolarHBondContact O-CG 3.39Å; R919-E923 PolarHBondContact O-N 3.38Å
920	Y	89.1	Confident	91.6	Very high	147 Å²	147	47.5 Å²	47.5	58%	0.576	24%	0.242	S	C	*	.	H	α-helix	trans	-59.5	-47.8	177.2	173.2	-96.3	0	0	0	112.4	T918 A922 E923 N924	T918-Y920 PolarHBondContact O-N 3.36Å; Y920-A922 VanDerWaalsContact C-N 3.33Å; Y920-E923 PolarHBondContact O-N 2.94Å; Y920-N924 WeakPolarHBondContact CD2-ND2 3.43Å; Y920-N924 WeakPolarHBondContact CE2-ND2 3.27Å; Y920-N924 WeakPolarHBondContact O-CB 3.45Å; Y920-N924 PolarHBondContact O-N 3.42Å; Y920-N924 VanDerWaalsContact O-N 3.15Å; Y920-N924 PolarHBondContact O-ND2 2.96Å
921	L	92.2	Very high	91.3	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-66.4	-38.4	176.2	-65.2	-173.7	0	0	0	111.4	P905 I917 T918 R919 E923 H925 V926	P905-L921 HydrophobicContact CB-CD1 3.8Å; P905-L921 HydrophobicContact CG-CD1 3.77Å; P905-L921 WeakPolarHBondContact O-CD1 3.4Å; I917-L921 HydrophobicContact CB-CB 4.21Å; I917-L921 HydrophobicContact CB-CD1 4.2Å; I917-L921 HydrophobicContact CG2-CD1 4.21Å; T918-L921 PolarHBondContact O-N 3.39Å; T918-L921 VanDerWaalsContact O-N 3.15Å; R919-L921 PolarHBondContact O-N 3.49Å; L921-E923 PolarHBondContact O-N 3.08Å; L921-H925 CarbonylContact O-C 3.55Å; L921-H925 VanDerWaalsContact O-CA 3.3Å; L921-H925 WeakPolarHBondContact O-CA 3.22Å; L921-H925 VanDerWaalsContact O-CB 3.31Å; L921-H925 WeakPolarHBondContact O-CB 3.42Å; L921-H925 PolarHBondContact O-N 3Å; L921-V926 PolarHBondContact O-N 3.49Å
922	A	90.4	Very high	91.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-43.8	178.1	0	0	0	0	0	112.5	F679 L794 I917 T918 R919 Y920 W928	F679-A922 HydrophobicContact CE1-CB 4.43Å; L794-A922 HydrophobicContact CD1-CB 4.19Å; L794-A922 HydrophobicContact CD2-CB 3.72Å; L794-A922 HydrophobicContact CG-CB 4.42Å; I917-A922 HydrophobicContact CD1-CB 4.04Å; T918-A922 PolarHBondContact O-N 3.35Å; R919-A922 WeakPolarHBondContact O-CB 3.41Å; R919-A922 PolarHBondContact O-N 3.07Å; Y920-A922 VanDerWaalsContact C-N 3.33Å; A922-W928 HydrophobicContact CB-CZ2 3.64Å; A922-W928 PolarHBondContact O-NE1 3.29Å
923	E	88.2	Confident	90.9	Very high	98 Å²	98	39.7 Å²	39.7	46%	0.458	20%	0.199	S	C	.	.	H	α-helix	trans	-76.2	-34.7	-177.9	-70.9	174.6	162	0	0	112.5	F679 R919 Y920 L921	F679-E923 HydrophobicContact CE2-CG 4.16Å; F679-E923 HydrophobicContact CZ-CG 3.62Å; R919-E923 HydrophobicContact CG-CG 4.25Å; R919-E923 IonicContact CZ-OE1 3.01Å; R919-E923 VanDerWaalsContact CZ-OE1 3.29Å; R919-E923 IonicContact NE-OE1 3.12Å; R919-E923 PolarHBondContact NE-OE1 3.37Å; R919-E923 IonicContact NE-OE2 3.54Å; R919-E923 IonicContact NH2-OE1 2.63Å; R919-E923 PolarHBondContact NH2-OE1 2.91Å; R919-E923 WeakPolarHBondContact O-CG 3.39Å; R919-E923 PolarHBondContact O-N 3.38Å; Y920-E923 PolarHBondContact O-N 2.94Å; L921-E923 PolarHBondContact O-N 3.08Å
924	N	90.9	Very high	90.4	Very high	80 Å²	80	41.8 Å²	41.8	43%	0.428	21%	0.21	S	C	.	.	H	α-helix	trans	-102	-21.4	-171.7	-63.6	-74.1	0	0	0	114.5	Y920 T934	Y920-N924 WeakPolarHBondContact CD2-ND2 3.43Å; Y920-N924 WeakPolarHBondContact CE2-ND2 3.27Å; Y920-N924 WeakPolarHBondContact O-CB 3.45Å; Y920-N924 PolarHBondContact O-N 3.42Å; Y920-N924 VanDerWaalsContact O-N 3.15Å; Y920-N924 PolarHBondContact O-ND2 2.96Å; N924-T934 PolarHBondContact O-OG1 3.05Å
925	H	93.1	Very high	89.5	Confident	30 Å²	30	45.8 Å²	45.8	14%	0.139	25%	0.251	C	S	.	.	H	α-helix	trans	-128.2	1.9	-168.5	-61.8	-54	0	0	0	115.2	L910 L921 I933 T934	L910-H925 HydrophobicContact CD2-CB 4.1Å; L921-H925 CarbonylContact O-C 3.55Å; L921-H925 VanDerWaalsContact O-CA 3.3Å; L921-H925 WeakPolarHBondContact O-CA 3.22Å; L921-H925 VanDerWaalsContact O-CB 3.31Å; L921-H925 WeakPolarHBondContact O-CB 3.42Å; L921-H925 PolarHBondContact O-N 3Å; H925-I933 CarbonylContact O-C 3.59Å; H925-I933 VanDerWaalsContact O-CA 3.29Å; H925-I933 WeakPolarHBondContact O-CA 3.47Å; H925-I933 WeakPolarHBondContact O-CG2 3.29Å; H925-T934 WeakPolarHBondContact CA-OG1 3.32Å; H925-T934 PolarHBondContact O-N 3.41Å
926	V	91.4	Very high	88.5	Confident	7 Å²	7	50.1 Å²	50.1	4%	0.042	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.9	175.7	-176.9	0	0	0	0	109.8	L910 I917 L921 W928	L910-V926 HydrophobicContact CD2-CG2 3.98Å; I917-V926 HydrophobicContact CD1-CG2 3.8Å; L921-V926 PolarHBondContact O-N 3.49Å; V926-W928 HydrophobicContact CB-CZ2 3.95Å; V926-W928 HydrophobicContact CG1-CD2 3.89Å; V926-W928 HydrophobicContact CG1-CE3 4.07Å; V926-W928 HydrophobicContact CG1-CH2 3.99Å; V926-W928 HydrophobicContact CG1-CZ2 3.79Å; V926-W928 HydrophobicContact CG1-CZ3 4.12Å; V926-W928 HydrophobicContact CG2-CZ2 4.36Å; V926-W928 PolarHBondContact O-N 3.05Å
927	N	89.9	Confident	87	Confident	67 Å²	67	59 Å²	59	36%	0.358	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	104.2	169.3	-179.3	-26.5	0	0	0	108.8	T929 T930 G931 L932	N927-T929 PolarHBondContact O-N 2.71Å; N927-T929 WeakPolarHBondContact OD1-CA 3.28Å; N927-T929 VanDerWaalsContact OD1-CB 3.23Å; N927-T929 WeakPolarHBondContact OD1-CB 3.37Å; N927-T929 PolarHBondContact OD1-N 3.07Å; N927-T930 WeakPolarHBondContact CB-OG1 3.45Å; N927-T930 PolarHBondContact O-N 2.94Å; N927-T930 VanDerWaalsContact O-N 3.16Å; N927-T930 PolarHBondContact OD1-N 3.46Å; N927-G931 WeakPolarHBondContact O-CA 3.26Å; N927-G931 PolarHBondContact O-N 3.09Å; N927-L932 PolarHBondContact N-O 3.45Å
928	W	89.7	Confident	85.4	Confident	38 Å²	38	63.9 Å²	63.9	14%	0.144	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-1.2	-178.2	-64.6	106.3	0	0	0	115.2	T683 L689 L794 I917 A922 V926	T683-W928 VanDerWaalsContact C-CE3 3.5Å; T683-W928 VanDerWaalsContact CB-CD2 3.45Å; T683-W928 HydrophobicContact CG2-CD2 3.67Å; T683-W928 HydrophobicContact CG2-CE3 4.34Å; T683-W928 HydrophobicContact CG2-CG 3.72Å; T683-W928 HydrophobicContact CG2-CZ2 4.34Å; L689-W928 HydrophobicContact CD1-CE3 3.61Å; L689-W928 HydrophobicContact CD1-CZ3 4.07Å; L689-W928 WeakPolarHBondContact CD2-O 3.29Å; L794-W928 HydrophobicContact CD2-CZ2 4.23Å; I917-W928 HydrophobicContact CD1-CH2 4.4Å; I917-W928 HydrophobicContact CD1-CZ2 4.28Å; A922-W928 HydrophobicContact CB-CZ2 3.64Å; A922-W928 PolarHBondContact O-NE1 3.29Å; V926-W928 HydrophobicContact CB-CZ2 3.95Å; V926-W928 HydrophobicContact CG1-CD2 3.89Å; V926-W928 HydrophobicContact CG1-CE3 4.07Å; V926-W928 HydrophobicContact CG1-CH2 3.99Å; V926-W928 HydrophobicContact CG1-CZ2 3.79Å; V926-W928 HydrophobicContact CG1-CZ3 4.12Å; V926-W928 HydrophobicContact CG2-CZ2 4.36Å; V926-W928 PolarHBondContact O-N 3.05Å
929	T	85.8	Confident	83.7	Confident	127 Å²	127	67.8 Å²	67.8	78%	0.779	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-36.1	167.6	-51.1	0	0	0	0	111.2	N927	N927-T929 PolarHBondContact O-N 2.71Å; N927-T929 WeakPolarHBondContact OD1-CA 3.28Å; N927-T929 VanDerWaalsContact OD1-CB 3.23Å; N927-T929 WeakPolarHBondContact OD1-CB 3.37Å; N927-T929 PolarHBondContact OD1-N 3.07Å
930	T	86.8	Confident	81.6	Confident	67 Å²	67	73.4 Å²	73.4	41%	0.411	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-18.5	-177	62	0	0	0	0	114	N927 L932	N927-T930 WeakPolarHBondContact CB-OG1 3.45Å; N927-T930 PolarHBondContact O-N 2.94Å; N927-T930 VanDerWaalsContact O-N 3.16Å; N927-T930 PolarHBondContact OD1-N 3.46Å; T930-L932 PolarHBondContact O-N 2.97Å; T930-L932 PolarHBondContact OG1-N 3.44Å
931	G	85.6	Confident	79.1	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	16.3	-171.7	0	0	0	0	0	114	H796 N798 N927	H796-G931 PolarHBondContact NE2-O 2.93Å; N798-G931 PolarHBondContact ND2-O 3.35Å; N798-G931 VanDerWaalsContact ND2-O 3.07Å; N927-G931 WeakPolarHBondContact O-CA 3.26Å; N927-G931 PolarHBondContact O-N 3.09Å
932	L	88.1	Confident	78.5	Confident	28 Å²	28	81.9 Å²	81.9	15%	0.147	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	155.9	-179.8	-62.6	176.8	0	0	0	111.5	N927 T930 E936 P938	N927-L932 PolarHBondContact N-O 3.45Å; T930-L932 PolarHBondContact O-N 2.97Å; T930-L932 PolarHBondContact OG1-N 3.44Å; L932-E936 HydrophobicContact CB-CB 4.34Å; L932-P938 HydrophobicContact CD1-CB 4.16Å
933	I	88.8	Confident	77.9	Confident	4 Å²	4	86.2 Å²	86.2	2%	0.021	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	139.6	170.9	-56.5	172.6	0	0	0	108.2	L910 K911 H925 G935 E936	L910-I933 HydrophobicContact CD1-CD1 4.39Å; L910-I933 HydrophobicContact CD2-CD1 4.42Å; L910-I933 HydrophobicContact CD2-CG1 4.13Å; L910-I933 HydrophobicContact CD2-CG2 4.34Å; L910-I933 HydrophobicContact CG-CD1 3.74Å; L910-I933 HydrophobicContact CG-CG1 3.94Å; K911-I933 HydrophobicContact CG-CD1 4.07Å; H925-I933 CarbonylContact O-C 3.59Å; H925-I933 VanDerWaalsContact O-CA 3.29Å; H925-I933 WeakPolarHBondContact O-CA 3.47Å; H925-I933 WeakPolarHBondContact O-CG2 3.29Å; I933-G935 PolarHBondContact O-N 3.28Å; I933-G935 VanDerWaalsContact O-N 3.13Å; I933-E936 HydrophobicContact CB-CG 4.01Å; I933-E936 PolarHBondContact N-OE2 3.11Å; I933-E936 VanDerWaalsContact N-OE2 3.16Å; I933-E936 WeakPolarHBondContact O-CB 3.3Å; I933-E936 PolarHBondContact O-N 2.97Å
934	T	82.5	Confident	77.3	Confident	57 Å²	57	85.6 Å²	85.6	35%	0.35	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	121	-179.6	55.7	0	0	0	0	111	N924 H925	N924-T934 PolarHBondContact O-OG1 3.05Å; H925-T934 WeakPolarHBondContact CA-OG1 3.32Å; H925-T934 PolarHBondContact O-N 3.41Å
935	G	78.4	Confident	76.5	Confident	83 Å²	83	85.9 Å²	85.9	86%	0.856	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.4	-10.5	-174.6	0	0	0	0	0	115.1	I933	I933-G935 PolarHBondContact O-N 3.28Å; I933-G935 VanDerWaalsContact O-N 3.13Å
936	E	74.4	Confident	75.4	Confident	92 Å²	92	89.4 Å²	89.4	43%	0.43	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-75.7	131.9	169.5	-71.7	-178.4	158.3	0	0	110.7	L932 I933	L932-E936 HydrophobicContact CB-CB 4.34Å; I933-E936 HydrophobicContact CB-CG 4.01Å; I933-E936 PolarHBondContact N-OE2 3.11Å; I933-E936 VanDerWaalsContact N-OE2 3.16Å; I933-E936 WeakPolarHBondContact O-CB 3.3Å; I933-E936 PolarHBondContact O-N 2.97Å
937	K	64.5	Low	74.4	Confident	187 Å²	187	94.9 Å²	94.9	81%	0.813	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-81.8	141.6	169.5	-69.6	-176.9	179.5	178.7	0	109	T939	K937-T939 PolarHBondContact O-N 3.11Å; K937-T939 VanDerWaalsContact O-N 3.16Å
938	P	61.4	Low	73.3	Confident	101 Å²	101	96.9 Å²	96.9	66%	0.656	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-57.8	123.3	171.1	22.8	-30.1	0	0	0	108.9	L932 K940	L932-P938 HydrophobicContact CD1-CB 4.16Å; P938-K940 PolarHBondContact O-N 3.13Å; P938-K940 VanDerWaalsContact O-N 3.14Å
939	T	57.1	Low	72	Confident	113 Å²	113	101.4 Å²	101.4	69%	0.693	56%	0.555	S	S	*	*			trans	-63.3	114.9	169.2	41.3	0	0	0	0	107.4	K937 H941	K937-T939 PolarHBondContact O-N 3.11Å; K937-T939 VanDerWaalsContact O-N 3.16Å; T939-H941 PolarHBondContact O-N 3.34Å
940	K	45.4	Very low	70.9	Confident	214 Å²	214	99.3 Å²	99.3	93%	0.93	54%	0.537	S	S	*	.			trans	-61.7	107.8	166	-79.5	-175	175.5	-177.2	0	106.3	P938	P938-K940 PolarHBondContact O-N 3.13Å; P938-K940 VanDerWaalsContact O-N 3.14Å
941	H	37.3	Very low	69.4	Low	245 Å²	245	102.2 Å²	102.2	100%	1.134	55%	0.548	S	S	*	.			trans	-91.3	0	162.9	-88.7	-49.3	0	0	0	109.3	T939	T939-H941 PolarHBondContact O-N 3.34Å

Retrieved 941 of 941 residues in 604.6 ms (Link to these results)

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