A0A077ZHG4_TRITR Loading...

TrmE N and GIDA assoc 3 and Jag N and GIDA and MM R HSR1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHG4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,171 aa.

						>A0A077ZHG4_TRITR|A0A077ZHG4
MPVYEGPSINEAISKGLHALGLKKEAVDIEILSDAKKGFLGMGKKDARVSIEPIIVEKNIVTSEAAEEPIKEQFVEEKLEEEVSKPIETTDTPSQLVELDEDEAVKELALYLTNITNDMGVPALVKIQHEASGLIVMNLETSKQGMLIGKHGGKQVAEITLEFDTIAAISTPPGEGAISIVRLSGDHAVAIADSVYHSGKKSLLDVPSHTIHYGHIIDPEEQEVVDEVMVSVMRAPKTFTREDIVEINCHGGIVVVNQLLQLILRSGARLAEPGEFTKRAFLNGRVDLSQAEAVMDLIRAKTDRAMSVAINQLDGNLSHLIRRLRQEILETLAQVEVNIDYPEYDDVEELTTQLLLEKAQQVGQQIDALLLNAKQGKILREGLSTAIIGRPNVGKSSLLNYLLHEEKAIVTEIAGTTRDVIEEYVNVRGVPLKLIDTAGIRETDDVVERIGVERSRKALGEADLILLVLNQSEALTAEDRELLEATQGLKRIVLLNKTDLPSHLSQTDLSAYLSEDEVFSISVLEKAGLDQLEEAIAKLFFGGQTGEKDATYVSNTRHIALLEKAGQSLNEVQNGIMADMVAFMPCNPSIGGPAKGVVVREIDALGGEMGRNIDKTYIQMRMLNTGKGPAVRALRAQADKHAYAEEMKHTIEKEEKLTLKQGVVDRLVVEEGICKGVVTSTGAVYSAKAVIITAGTALRGEIIIGELKYSSGPNNSQPSIKLADHLQELGLEIHRFKTGTPPRVKSGSIDYKKTEIQPGDEKPNHFSYQTPDSQYLTEQIPCWLTYTNPKSHEIIQNNLHRAPMFTGIVDGVGARYCPSIEDKIVRFADKERHQLFLEPEGRNTEEVYVQGLSTSLPEDVQNDVLHSIEGLENAEMMRTGYAIEYDMVAPHQLRPTLETKVIENLYTAGQTNGTSGYEEAAGQGLMAGINAALKIQGKEPFIMKRSDGYIGVMIDDLVTKGTNEPYRLLTSRAEYRLILRHDNADLRLTEIGHKIGLVEEENYQAYLVKKAHIEAEIARLQSIRIKPTANVQSFLRAKNSAELKDGVLASDFLKRPEITYQELLQFIPANDDLTGKEVEQVEIQIKYEGYIKKAMEKVEKLKRMEAKRIPERIDYEAINGLATEAKQKLQKIQPETIAQASRISGVNPADISILMVYVEQGKIAKVDSETI
					

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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	60.3	Low	85.1	Confident	145 Å²	145	68.6 Å²	68.6	71%	0.714	37%	0.368	S	S	*	.				0	104	0	-79.5	-179.2	163	0	0	110.9	V3 S50 E52	M1-V3 PolarHBondContact O-N 3.34Å; M1-S50 WeakPolarHBondContact CB-OG 3.4Å; M1-E52 WeakPolarHBondContact CG-OE1 3.23Å
2	P	77.2	Confident	85.6	Confident	59 Å²	59	62.9 Å²	62.9	38%	0.383	34%	0.337	S	S	.	.			trans	-68	121.8	171.8	-1.2	15.2	0	0	0	109.3	Y4 S50 I51	P2-Y4 HydrophobicContact CB-CE2 3.79Å; P2-S50 WeakPolarHBondContact O-CA 3.37Å; P2-I51 PolarHBondContact O-N 3.29Å
3	V	89.5	Confident	86.1	Confident	57 Å²	57	59.1 Å²	59.1	35%	0.345	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.9	178.6	179.9	0	0	0	0	109.4	M1 L32 R48 V49	M1-V3 PolarHBondContact O-N 3.34Å; V3-L32 HydrophobicContact CB-CD1 4.33Å; V3-L32 HydrophobicContact CG1-CD1 3.79Å; V3-L32 HydrophobicContact CG2-CD1 3.58Å; V3-R48 HydrophobicContact CG1-CB 4.01Å; V3-V49 CarbonylContact C-O 3.58Å; V3-V49 WeakPolarHBondContact CA-O 3.38Å
4	Y	90.2	Very high	86.5	Confident	42 Å²	42	60.5 Å²	60.5	17%	0.165	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.7	179.9	-58.4	-81.8	0	0	0	110.7	P2 A12 G16 A19 R48 V49 I51	P2-Y4 HydrophobicContact CB-CE2 3.79Å; Y4-A12 WeakPolarHBondContact CB-O 3.49Å; Y4-G16 VanDerWaalsContact CD1-CA 3.47Å; Y4-G16 VanDerWaalsContact CD2-CA 3.49Å; Y4-G16 VanDerWaalsContact CG-CA 3.4Å; Y4-A19 HydrophobicContact CE1-CB 3.67Å; Y4-R48 WeakPolarHBondContact O-CA 3.21Å; Y4-V49 PolarHBondContact N-O 3.48Å; Y4-V49 PolarHBondContact O-N 3.29Å; Y4-I51 HydrophobicContact CD2-CB 4.22Å; Y4-I51 HydrophobicContact CD2-CD1 4.15Å; Y4-I51 HydrophobicContact CD2-CG1 3.97Å; Y4-I51 HydrophobicContact CE2-CB 4.04Å; Y4-I51 HydrophobicContact CE2-CG1 4.3Å
5	E	92.1	Very high	86.8	Confident	85 Å²	85	64.5 Å²	64.5	40%	0.397	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.1	-175.1	-48.5	-167.3	170.8	0	0	112.2	K15 D46 A47 R48	E5-K15 WeakPolarHBondContact O-CD 3.42Å; E5-K15 PolarHBondContact O-NZ 3.5Å; E5-D46 HydrophobicContact CB-CB 4.37Å; E5-A47 VanDerWaalsContact CA-O 3.26Å; E5-A47 WeakPolarHBondContact CA-O 3.1Å; E5-R48 HydrophobicContact CG-CG 3.99Å; E5-R48 IonicContact OE1-CZ 3.85Å; E5-R48 IonicContact OE1-NE 3.82Å; E5-R48 PolarHBondContact OE1-NE 3.35Å; E5-R48 IonicContact OE1-NH2 3.88Å; E5-R48 PolarHBondContact OE1-NH2 3.3Å
6	G	86.2	Confident	86.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	164	178	0	0	0	0	0	114.3	S8 D46 A47	G6-S8 PolarHBondContact O-N 3.21Å; G6-D46 CarbonylContact O-C 3.56Å; G6-D46 WeakPolarHBondContact O-CA 3.26Å; G6-D46 WeakPolarHBondContact O-CB 3.48Å; G6-A47 PolarHBondContact N-O 2.67Å; G6-A47 PolarHBondContact O-N 3.01Å
7	P	84.6	Confident	87.1	Confident	73 Å²	73	58.5 Å²	58.5	47%	0.474	31%	0.314	S	S	.	.	S	Bend	trans	-61.3	-19.8	-175.8	-14.7	23.5	0	0	0	113.9	E11 A35	P7-E11 VanDerWaalsContact CB-OE2 3.3Å; P7-E11 WeakPolarHBondContact CB-OE2 3.49Å; P7-E11 VanDerWaalsContact CD-OE2 3.26Å; P7-E11 WeakPolarHBondContact CD-OE2 3.25Å; P7-E11 VanDerWaalsContact CG-OE2 3.3Å; P7-E11 WeakPolarHBondContact CG-OE2 3.37Å; P7-A35 VanDerWaalsContact O-CB 3.27Å; P7-A35 WeakPolarHBondContact O-CB 3.16Å
8	S	87.4	Confident	87	Confident	43 Å²	43	64.4 Å²	64.4	30%	0.301	34%	0.339	S	S	.	.	S	Bend	trans	-141.2	157.1	173.3	63.1	0	0	0	0	109.8	G6 N10 E11 A12	G6-S8 PolarHBondContact O-N 3.21Å; S8-N10 PolarHBondContact O-N 3.03Å; S8-E11 PolarHBondContact N-OE2 2.92Å; S8-E11 PolarHBondContact O-N 3.34Å; S8-E11 VanDerWaalsContact O-N 3.12Å; S8-E11 PolarHBondContact OG-N 3.03Å; S8-E11 PolarHBondContact OG-OE2 3.28Å; S8-A12 PolarHBondContact O-N 3.18Å
9	I	89.4	Confident	86.9	Confident	36 Å²	36	64.6 Å²	64.6	19%	0.185	35%	0.351	C	S	.	.	H	α-helix	trans	-53.7	-41.4	176.2	-64.3	170.3	0	0	0	110.7	E11 A12 I13 I31 D34 A47 V49	I9-E11 PolarHBondContact O-N 3.3Å; I9-A12 PolarHBondContact O-N 2.89Å; I9-I13 HydrophobicContact CG2-CD1 3.8Å; I9-I13 HydrophobicContact CG2-CG1 4.32Å; I9-I13 VanDerWaalsContact O-CG1 3.3Å; I9-I13 WeakPolarHBondContact O-CG1 3.16Å; I9-I13 PolarHBondContact O-N 2.69Å; I9-I31 HydrophobicContact CD1-CD1 4.27Å; I9-I31 HydrophobicContact CD1-CG2 3.86Å; I9-I31 HydrophobicContact CG1-CG2 4.23Å; I9-I31 HydrophobicContact CG2-CD1 3.96Å; I9-I31 HydrophobicContact CG2-CG1 3.98Å; I9-D34 HydrophobicContact CD1-CB 4.24Å; I9-D34 VanDerWaalsContact CD1-OD1 3.23Å; I9-D34 WeakPolarHBondContact CD1-OD1 3.29Å; I9-D34 WeakPolarHBondContact CG1-OD1 3.4Å; I9-A47 HydrophobicContact CB-CB 4.37Å; I9-A47 HydrophobicContact CG1-CB 3.71Å; I9-V49 HydrophobicContact CG2-CG1 4.19Å
10	N	89.6	Confident	86.7	Confident	119 Å²	119	64.2 Å²	64.2	64%	0.636	35%	0.348	S	S	*	.	H	α-helix	trans	-64.4	-38.2	-179.5	-76.5	-28.6	0	0	0	113.1	S8 S14	S8-N10 PolarHBondContact O-N 3.03Å; N10-S14 PolarHBondContact O-N 2.84Å
11	E	90	Very high	86.6	Confident	96 Å²	96	64.4 Å²	64.4	45%	0.449	37%	0.365	S	S	.	.	H	α-helix	trans	-71.7	-37.1	176.4	-77.9	165.6	139.2	0	0	112.1	P7 S8 I9 I13 S14 K15	P7-E11 VanDerWaalsContact CB-OE2 3.3Å; P7-E11 WeakPolarHBondContact CB-OE2 3.49Å; P7-E11 VanDerWaalsContact CD-OE2 3.26Å; P7-E11 WeakPolarHBondContact CD-OE2 3.25Å; P7-E11 VanDerWaalsContact CG-OE2 3.3Å; P7-E11 WeakPolarHBondContact CG-OE2 3.37Å; S8-E11 PolarHBondContact N-OE2 2.92Å; S8-E11 PolarHBondContact O-N 3.34Å; S8-E11 VanDerWaalsContact O-N 3.12Å; S8-E11 PolarHBondContact OG-N 3.03Å; S8-E11 PolarHBondContact OG-OE2 3.28Å; I9-E11 PolarHBondContact O-N 3.3Å; E11-I13 VanDerWaalsContact C-N 3.34Å; E11-S14 PolarHBondContact O-N 2.99Å; E11-K15 WeakPolarHBondContact O-CB 3.32Å; E11-K15 PolarHBondContact O-N 3.04Å
12	A	90.2	Very high	87.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.6	-41.2	174.1	0	0	0	0	0	111.2	Y4 S8 I9 K15 G16 V49	Y4-A12 WeakPolarHBondContact CB-O 3.49Å; S8-A12 PolarHBondContact O-N 3.18Å; I9-A12 PolarHBondContact O-N 2.89Å; A12-K15 PolarHBondContact O-N 2.83Å; A12-G16 PolarHBondContact O-N 2.52Å; A12-V49 HydrophobicContact CB-CG2 3.27Å
13	I	92.7	Very high	88.1	Confident	13 Å²	13	64.5 Å²	64.5	7%	0.067	36%	0.358	C	S	.	.	H	α-helix	trans	-62.4	-49.4	172.7	-69.1	172.5	0	0	0	111	I9 E11 K15 G16 L17 I29 V49 I51	I9-I13 HydrophobicContact CG2-CD1 3.8Å; I9-I13 HydrophobicContact CG2-CG1 4.32Å; I9-I13 VanDerWaalsContact O-CG1 3.3Å; I9-I13 WeakPolarHBondContact O-CG1 3.16Å; I9-I13 PolarHBondContact O-N 2.69Å; E11-I13 VanDerWaalsContact C-N 3.34Å; I13-K15 VanDerWaalsContact C-N 3.31Å; I13-K15 PolarHBondContact O-N 2.7Å; I13-G16 PolarHBondContact O-N 3.45Å; I13-L17 HydrophobicContact CG2-CD1 3.71Å; I13-L17 HydrophobicContact CG2-CG 4.13Å; I13-L17 WeakPolarHBondContact O-CG 3.39Å; I13-L17 PolarHBondContact O-N 3.45Å; I13-I29 HydrophobicContact CD1-CD1 4.44Å; I13-I29 HydrophobicContact CD1-CG2 3.89Å; I13-I29 HydrophobicContact CG1-CD1 4.44Å; I13-I29 HydrophobicContact CG1-CG2 3.83Å; I13-I29 HydrophobicContact CG2-CD1 3.71Å; I13-V49 HydrophobicContact CG1-CB 4.41Å; I13-V49 HydrophobicContact CG1-CG1 4.02Å; I13-V49 HydrophobicContact CG1-CG2 4.03Å; I13-I51 HydrophobicContact CG2-CD1 4.48Å
14	S	91.8	Very high	87.8	Confident	79 Å²	79	67.4 Å²	67.4	55%	0.552	37%	0.366	S	S	*	.	H	α-helix	trans	-59.3	-41.1	178.5	-90.7	0	0	0	0	112.4	N10 E11 H18	N10-S14 PolarHBondContact O-N 2.84Å; E11-S14 PolarHBondContact O-N 2.99Å; S14-H18 VanDerWaalsContact O-CB 3.26Å; S14-H18 WeakPolarHBondContact O-CB 3.44Å; S14-H18 PolarHBondContact O-N 2.83Å
15	K	90.7	Very high	87.4	Confident	121 Å²	121	73 Å²	73	53%	0.526	39%	0.393	S	S	.	.	H	α-helix	trans	-60.1	-46.2	174.4	-89.6	-177	178.5	178.4	0	111.7	E5 E11 A12 I13 H18 A19	E5-K15 WeakPolarHBondContact O-CD 3.42Å; E5-K15 PolarHBondContact O-NZ 3.5Å; E11-K15 WeakPolarHBondContact O-CB 3.32Å; E11-K15 PolarHBondContact O-N 3.04Å; A12-K15 PolarHBondContact O-N 2.83Å; I13-K15 VanDerWaalsContact C-N 3.31Å; I13-K15 PolarHBondContact O-N 2.7Å; K15-H18 PolarHBondContact O-N 2.8Å; K15-A19 WeakPolarHBondContact O-CB 3.24Å; K15-A19 PolarHBondContact O-N 2.68Å
16	G	89.4	Confident	87	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-67.2	-42.4	179.9	0	0	0	0	0	113.3	Y4 A12 I13 H18 A19 L20	Y4-G16 VanDerWaalsContact CD1-CA 3.47Å; Y4-G16 VanDerWaalsContact CD2-CA 3.49Å; Y4-G16 VanDerWaalsContact CG-CA 3.4Å; A12-G16 PolarHBondContact O-N 2.52Å; I13-G16 PolarHBondContact O-N 3.45Å; G16-H18 VanDerWaalsContact C-N 3.34Å; G16-H18 PolarHBondContact O-N 3.46Å; G16-A19 PolarHBondContact O-N 3.42Å; G16-L20 WeakPolarHBondContact O-CB 3.46Å; G16-L20 WeakPolarHBondContact O-CG 3.4Å; G16-L20 PolarHBondContact O-N 2.82Å
17	L	89.6	Confident	87	Confident	26 Å²	26	71.2 Å²	71.2	14%	0.136	39%	0.392	C	S	.	.	H	α-helix	trans	-61.2	-42.3	174.3	-69.2	175.1	0	0	0	112.2	I13 L20 G21 L22 K24 V27	I13-L17 HydrophobicContact CG2-CD1 3.71Å; I13-L17 HydrophobicContact CG2-CG 4.13Å; I13-L17 WeakPolarHBondContact O-CG 3.39Å; I13-L17 PolarHBondContact O-N 3.45Å; L17-L20 PolarHBondContact O-N 2.9Å; L17-G21 PolarHBondContact O-N 3.25Å; L17-L22 PolarHBondContact O-N 2.67Å; L17-K24 HydrophobicContact CD1-CB 3.79Å; L17-K24 HydrophobicContact CD1-CG 4.14Å; L17-K24 HydrophobicContact CD2-CB 4.38Å; L17-V27 HydrophobicContact CD2-CG1 4.36Å; L17-V27 HydrophobicContact CD2-CG2 3.36Å
18	H	86.1	Confident	87.2	Confident	165 Å²	165	73.4 Å²	73.4	76%	0.764	40%	0.4	S	S	*	.	H	α-helix	trans	-66.8	-38.7	176.9	-172	-78.6	0	0	0	111.9	S14 K15 G16 G21	S14-H18 VanDerWaalsContact O-CB 3.26Å; S14-H18 WeakPolarHBondContact O-CB 3.44Å; S14-H18 PolarHBondContact O-N 2.83Å; K15-H18 PolarHBondContact O-N 2.8Å; G16-H18 VanDerWaalsContact C-N 3.34Å; G16-H18 PolarHBondContact O-N 3.46Å; H18-G21 PolarHBondContact O-N 2.89Å
19	A	85	Confident	87.3	Confident	69 Å²	69	73.4 Å²	73.4	57%	0.57	40%	0.397	S	S	*	.	H	α-helix	trans	-67.2	-35.8	176.9	0	0	0	0	0	112.7	Y4 K15 G16	Y4-A19 HydrophobicContact CE1-CB 3.67Å; K15-A19 WeakPolarHBondContact O-CB 3.24Å; K15-A19 PolarHBondContact O-N 2.68Å; G16-A19 PolarHBondContact O-N 3.42Å
20	L	82.4	Confident	87.4	Confident	55 Å²	55	76.5 Å²	76.5	29%	0.288	41%	0.41	S	S	.	.	H	α-helix	trans	-83.1	-15	177.5	-67.6	169.1	0	0	0	113.2	G16 L17 L22 V27 I51	G16-L20 WeakPolarHBondContact O-CB 3.46Å; G16-L20 WeakPolarHBondContact O-CG 3.4Å; G16-L20 PolarHBondContact O-N 2.82Å; L17-L20 PolarHBondContact O-N 2.9Å; L20-L22 HydrophobicContact CB-CB 4.3Å; L20-L22 HydrophobicContact CB-CD1 4.17Å; L20-L22 HydrophobicContact CB-CG 4.21Å; L20-L22 PolarHBondContact O-N 3.08Å; L20-V27 HydrophobicContact CD1-CG1 4.25Å; L20-I51 HydrophobicContact CD1-CB 4.03Å; L20-I51 HydrophobicContact CD1-CG2 3.57Å
21	G	83.8	Confident	87.4	Confident	69 Å²	69	75.3 Å²	75.3	71%	0.711	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	19.5	-173.5	0	0	0	0	0	113.9	L17 H18	L17-G21 PolarHBondContact O-N 3.25Å; H18-G21 PolarHBondContact O-N 2.89Å
22	L	84.8	Confident	87.3	Confident	62 Å²	62	74.4 Å²	74.4	33%	0.325	40%	0.401	S	S	.	.			trans	-109.6	154.1	-174.2	-67.4	174	0	0	0	111.9	L17 L20 V27 P53	L17-L22 PolarHBondContact O-N 2.67Å; L20-L22 HydrophobicContact CB-CB 4.3Å; L20-L22 HydrophobicContact CB-CD1 4.17Å; L20-L22 HydrophobicContact CB-CG 4.21Å; L20-L22 PolarHBondContact O-N 3.08Å; L22-V27 HydrophobicContact CB-CG1 3.84Å; L22-V27 HydrophobicContact CD1-CG1 3.66Å; L22-V27 HydrophobicContact CG-CG1 4.42Å; L22-P53 HydrophobicContact CD1-CB 3.7Å; L22-P53 HydrophobicContact CD1-CG 3.72Å
23	K	85.1	Confident	87.1	Confident	145 Å²	145	76.7 Å²	76.7	63%	0.63	42%	0.417	S	S	*	.			trans	-79.8	153.6	170.3	-67.8	-174.5	-179.3	179.5	0	110.2	E25 A26	K23-E25 PolarHBondContact O-N 3.39Å; K23-A26 PolarHBondContact O-N 3.45Å
24	K	83.1	Confident	86.5	Confident	118 Å²	118	81 Å²	81	51%	0.513	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-55.8	-26.9	178.1	-164	172.9	-179.7	178.1	0	113.6	L17 A26 I29	L17-K24 HydrophobicContact CD1-CB 3.79Å; L17-K24 HydrophobicContact CD1-CG 4.14Å; L17-K24 HydrophobicContact CD2-CB 4.38Å; K24-A26 VanDerWaalsContact C-N 3.29Å; K24-I29 HydrophobicContact CD-CD1 4.31Å; K24-I29 HydrophobicContact CG-CD1 3.76Å
25	E	82.2	Confident	85.9	Confident	158 Å²	158	78.9 Å²	78.9	74%	0.738	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-73.4	-18.5	177.1	-54.8	120.6	-150.6	0	0	113.7	K23	K23-E25 PolarHBondContact O-N 3.39Å
26	A	82.5	Confident	85	Confident	39 Å²	39	80.5 Å²	80.5	32%	0.322	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-104.7	10.7	-174.5	0	0	0	0	0	112.7	K23 K24 P53 I54	K23-A26 PolarHBondContact O-N 3.45Å; K24-A26 VanDerWaalsContact C-N 3.29Å; A26-P53 WeakPolarHBondContact O-CA 3.5Å; A26-I54 PolarHBondContact O-N 3.22Å
27	V	87.6	Confident	83.7	Confident	9 Å²	9	89 Å²	89	6%	0.055	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	148.6	-179.4	-64.7	0	0	0	0	111.2	L17 L20 L22 I29 I51 E52	L17-V27 HydrophobicContact CD2-CG1 4.36Å; L17-V27 HydrophobicContact CD2-CG2 3.36Å; L20-V27 HydrophobicContact CD1-CG1 4.25Å; L22-V27 HydrophobicContact CB-CG1 3.84Å; L22-V27 HydrophobicContact CD1-CG1 3.66Å; L22-V27 HydrophobicContact CG-CG1 4.42Å; V27-I29 HydrophobicContact CG2-CD1 4.04Å; V27-I29 HydrophobicContact CG2-CG1 3.91Å; V27-I51 HydrophobicContact CB-CG2 3.57Å; V27-I51 HydrophobicContact CG1-CG2 3.83Å; V27-I51 HydrophobicContact CG2-CG2 3.65Å; V27-E52 CarbonylContact C-O 3.39Å; V27-E52 WeakPolarHBondContact CA-O 3.44Å; V27-E52 WeakPolarHBondContact CB-O 3.47Å
28	D	87.3	Confident	82	Confident	119 Å²	119	89 Å²	89	64%	0.636	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	137.7	163.4	-121.5	-25.3	0	0	0	109.5	I51 E52	D28-I51 WeakPolarHBondContact O-CA 3.45Å; D28-E52 PolarHBondContact N-O 3.28Å; D28-E52 PolarHBondContact O-N 3.34Å
29	I	91	Very high	80.2	Confident	44 Å²	44	90.1 Å²	90.1	23%	0.226	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	117.7	-174.6	-60.3	170.3	0	0	0	109.4	I13 K24 V27 V49 S50 I51	I13-I29 HydrophobicContact CD1-CD1 4.44Å; I13-I29 HydrophobicContact CD1-CG2 3.89Å; I13-I29 HydrophobicContact CG1-CD1 4.44Å; I13-I29 HydrophobicContact CG1-CG2 3.83Å; I13-I29 HydrophobicContact CG2-CD1 3.71Å; K24-I29 HydrophobicContact CD-CD1 4.31Å; K24-I29 HydrophobicContact CG-CD1 3.76Å; V27-I29 HydrophobicContact CG2-CD1 4.04Å; V27-I29 HydrophobicContact CG2-CG1 3.91Å; I29-V49 HydrophobicContact CG2-CB 4.38Å; I29-V49 HydrophobicContact CG2-CG1 3.95Å; I29-S50 WeakPolarHBondContact CA-O 3.43Å; I29-I51 HydrophobicContact CG1-CD1 4.36Å; I29-I51 HydrophobicContact CG1-CG1 4.12Å; I29-I51 HydrophobicContact CG1-CG2 4.06Å; I29-I51 HydrophobicContact CG2-CG1 4.33Å
30	E	91.3	Very high	78.5	Confident	101 Å²	101	94.3 Å²	94.3	47%	0.472	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.9	176.4	-172.6	-175.1	-174.8	0	0	110.8	L32 V49 S50	E30-L32 HydrophobicContact CG-CD2 4.36Å; E30-L32 PolarHBondContact O-N 3.06Å; E30-V49 CarbonylContact O-C 3.53Å; E30-V49 VanDerWaalsContact O-CA 3.23Å; E30-V49 WeakPolarHBondContact O-CA 3.35Å; E30-V49 WeakPolarHBondContact O-CG1 3.3Å; E30-S50 PolarHBondContact N-O 3.49Å; E30-S50 PolarHBondContact O-N 2.88Å
31	I	89.7	Confident	76.8	Confident	93 Å²	93	94.9 Å²	94.9	48%	0.477	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	110	179.2	-58.1	162.3	0	0	0	109.2	I9 V49	I9-I31 HydrophobicContact CD1-CD1 4.27Å; I9-I31 HydrophobicContact CD1-CG2 3.86Å; I9-I31 HydrophobicContact CG1-CG2 4.23Å; I9-I31 HydrophobicContact CG2-CD1 3.96Å; I9-I31 HydrophobicContact CG2-CG1 3.98Å; I31-V49 HydrophobicContact CB-CG1 4.06Å; I31-V49 HydrophobicContact CG1-CG1 3.6Å; I31-V49 HydrophobicContact CG2-CG1 4.38Å
32	L	88.1	Confident	75	Confident	78 Å²	78	99.5 Å²	99.5	41%	0.408	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-37.1	-177.8	-59	177.3	0	0	0	112.3	V3 E30 R48	V3-L32 HydrophobicContact CB-CD1 4.33Å; V3-L32 HydrophobicContact CG1-CD1 3.79Å; V3-L32 HydrophobicContact CG2-CD1 3.58Å; E30-L32 HydrophobicContact CG-CD2 4.36Å; E30-L32 PolarHBondContact O-N 3.06Å; L32-R48 HydrophobicContact CB-CB 4.18Å; L32-R48 PolarHBondContact N-O 2.96Å
33	S	85.1	Confident	73.4	Confident	48 Å²	48	99.1 Å²	99.1	34%	0.336	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	143.4	174.8	62.2	0	0	0	0	112.8	A47 R48	S33-A47 CarbonylContact O-C 3.46Å; S33-A47 VanDerWaalsContact O-CA 3.23Å; S33-A47 WeakPolarHBondContact O-CA 3.42Å; S33-R48 PolarHBondContact N-O 2.89Å; S33-R48 VanDerWaalsContact N-O 3.16Å; S33-R48 PolarHBondContact O-N 3.35Å; S33-R48 WeakPolarHBondContact OG-CB 3.07Å; S33-R48 WeakPolarHBondContact OG-CG 3.37Å
34	D	80.8	Confident	72.4	Confident	103 Å²	103	99.7 Å²	99.7	55%	0.551	53%	0.53	S	S	*	.			trans	-85.5	155.5	176.4	-157.4	0.2	0	0	0	112.4	I9 K36	I9-D34 HydrophobicContact CD1-CB 4.24Å; I9-D34 VanDerWaalsContact CD1-OD1 3.23Å; I9-D34 WeakPolarHBondContact CD1-OD1 3.29Å; I9-D34 WeakPolarHBondContact CG1-OD1 3.4Å; D34-K36 PolarHBondContact O-N 3.44Å
35	A	79	Confident	71.9	Confident	34 Å²	34	101.9 Å²	101.9	28%	0.281	54%	0.54	S	S	.	.			trans	-69.8	119.5	-178.5	0	0	0	0	0	110.6	P7 K45 A47	P7-A35 VanDerWaalsContact O-CB 3.27Å; P7-A35 WeakPolarHBondContact O-CB 3.16Å; A35-K45 CarbonylContact C-O 3.55Å; A35-K45 VanDerWaalsContact CA-O 3.25Å; A35-K45 WeakPolarHBondContact CA-O 3.03Å; A35-A47 HydrophobicContact CB-CB 4.05Å
36	K	72.4	Confident	72	Confident	156 Å²	156	97.2 Å²	97.2	68%	0.678	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.9	178.3	-75	-176.2	179.4	176.7	0	110.7	D34 G38 K45	D34-K36 PolarHBondContact O-N 3.44Å; K36-G38 PolarHBondContact O-N 3.06Å; K36-K45 PolarHBondContact N-O 3.15Å; K36-K45 VanDerWaalsContact N-O 3.08Å; K36-K45 PolarHBondContact O-N 2.91Å
37	K	60.9	Low	72.3	Confident	179 Å²	179	95.4 Å²	95.4	78%	0.778	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	124	160.4	-79.2	-177.3	177.4	177.8	0	108.2
38	G	54	Low	72.5	Confident	26 Å²	26	100 Å²	100	27%	0.268	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-59.6	152	172.7	0	0	0	0	0	111.4	K36 L40 G41 G43	K36-G38 PolarHBondContact O-N 3.06Å; G38-L40 PolarHBondContact O-N 3.37Å; G38-G41 PolarHBondContact O-N 3.12Å; G38-G43 WeakPolarHBondContact CA-O 3.27Å; G38-G43 PolarHBondContact N-O 2.88Å
39	F	47.5	Very low	72.8	Confident	188 Å²	188	94.3 Å²	94.3	83%	0.825	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-53.7	134.9	174.8	-165.1	-105	0	0	0	109.4	G41 M42	F39-G41 PolarHBondContact O-N 2.86Å; F39-G41 VanDerWaalsContact O-N 3.16Å; F39-M42 PolarHBondContact O-N 2.81Å
40	L	50.4	Low	72.7	Confident	156 Å²	156	92.4 Å²	92.4	82%	0.817	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	60.3	15.8	-175.7	-80.4	142.8	0	0	0	116.4	G38 M42	G38-L40 PolarHBondContact O-N 3.37Å; L40-M42 PolarHBondContact O-N 2.99Å
41	G	46.6	Very low	72.8	Confident	68 Å²	68	87.6 Å²	87.6	70%	0.701	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	75.3	9.1	-177.4	0	0	0	0	0	113.8	G38 F39 G43	G38-G41 PolarHBondContact O-N 3.12Å; F39-G41 PolarHBondContact O-N 2.86Å; F39-G41 VanDerWaalsContact O-N 3.16Å; G41-G43 PolarHBondContact O-N 2.72Å
42	M	45.1	Very low	72.5	Confident	165 Å²	165	87 Å²	87	81%	0.813	45%	0.454	S	S	*	.			trans	-87.3	103.4	173.4	-71.3	-172.9	171	0	0	109.6	F39 L40	F39-M42 PolarHBondContact O-N 2.81Å; L40-M42 PolarHBondContact O-N 2.99Å
43	G	52.3	Low	72.2	Confident	54 Å²	54	86.6 Å²	86.6	56%	0.557	46%	0.456	S	S	*	.			trans	86.8	143.2	178.2	0	0	0	0	0	113.7	G38 G41	G38-G43 WeakPolarHBondContact CA-O 3.27Å; G38-G43 PolarHBondContact N-O 2.88Å; G41-G43 PolarHBondContact O-N 2.72Å
44	K	64.1	Low	71.9	Confident	157 Å²	157	88.1 Å²	88.1	68%	0.683	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.4	164.4	-75.6	179.8	179.2	176.9	0	106.4
45	K	71.6	Confident	71.1	Confident	164 Å²	164	90.3 Å²	90.3	71%	0.713	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	125.7	162.2	-84.5	-169.2	174	-173	0	107.4	A35 K36	A35-K45 CarbonylContact C-O 3.55Å; A35-K45 VanDerWaalsContact CA-O 3.25Å; A35-K45 WeakPolarHBondContact CA-O 3.03Å; K36-K45 PolarHBondContact N-O 3.15Å; K36-K45 VanDerWaalsContact N-O 3.08Å; K36-K45 PolarHBondContact O-N 2.91Å
46	D	85.8	Confident	69.7	Low	61 Å²	61	94.2 Å²	94.2	33%	0.326	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-66.8	152.2	173.9	-79.7	0.7	0	0	0	110.6	E5 G6	E5-D46 HydrophobicContact CB-CB 4.37Å; G6-D46 CarbonylContact O-C 3.56Å; G6-D46 WeakPolarHBondContact O-CA 3.26Å; G6-D46 WeakPolarHBondContact O-CB 3.48Å
47	A	88.2	Confident	68.1	Low	0 Å²	0	94.9 Å²	94.9	0%	0	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	144.8	169.6	0	0	0	0	0	109.6	E5 G6 I9 S33 A35	E5-A47 VanDerWaalsContact CA-O 3.26Å; E5-A47 WeakPolarHBondContact CA-O 3.1Å; G6-A47 PolarHBondContact N-O 2.67Å; G6-A47 PolarHBondContact O-N 3.01Å; I9-A47 HydrophobicContact CB-CB 4.37Å; I9-A47 HydrophobicContact CG1-CB 3.71Å; S33-A47 CarbonylContact O-C 3.46Å; S33-A47 VanDerWaalsContact O-CA 3.23Å; S33-A47 WeakPolarHBondContact O-CA 3.42Å; A35-A47 HydrophobicContact CB-CB 4.05Å
48	R	91.4	Very high	66.8	Low	106 Å²	106	95.3 Å²	95.3	40%	0.4	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.3	179.8	-53.1	-179.2	80.5	-164.5	7.5	109.6	V3 Y4 E5 L32 S33	V3-R48 HydrophobicContact CG1-CB 4.01Å; Y4-R48 WeakPolarHBondContact O-CA 3.21Å; E5-R48 HydrophobicContact CG-CG 3.99Å; E5-R48 IonicContact OE1-CZ 3.85Å; E5-R48 IonicContact OE1-NE 3.82Å; E5-R48 PolarHBondContact OE1-NE 3.35Å; E5-R48 IonicContact OE1-NH2 3.88Å; E5-R48 PolarHBondContact OE1-NH2 3.3Å; L32-R48 HydrophobicContact CB-CB 4.18Å; L32-R48 PolarHBondContact N-O 2.96Å; S33-R48 PolarHBondContact N-O 2.89Å; S33-R48 VanDerWaalsContact N-O 3.16Å; S33-R48 PolarHBondContact O-N 3.35Å; S33-R48 WeakPolarHBondContact OG-CB 3.07Å; S33-R48 WeakPolarHBondContact OG-CG 3.37Å
49	V	92.7	Very high	65.6	Low	0 Å²	0	101.1 Å²	101.1	0%	0	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.6	177	-96.4	0	0	0	0	110	V3 Y4 I9 A12 I13 I29 E30 I31	V3-V49 CarbonylContact C-O 3.58Å; V3-V49 WeakPolarHBondContact CA-O 3.38Å; Y4-V49 PolarHBondContact N-O 3.48Å; Y4-V49 PolarHBondContact O-N 3.29Å; I9-V49 HydrophobicContact CG2-CG1 4.19Å; A12-V49 HydrophobicContact CB-CG2 3.27Å; I13-V49 HydrophobicContact CG1-CB 4.41Å; I13-V49 HydrophobicContact CG1-CG1 4.02Å; I13-V49 HydrophobicContact CG1-CG2 4.03Å; I29-V49 HydrophobicContact CG2-CB 4.38Å; I29-V49 HydrophobicContact CG2-CG1 3.95Å; E30-V49 CarbonylContact O-C 3.53Å; E30-V49 VanDerWaalsContact O-CA 3.23Å; E30-V49 WeakPolarHBondContact O-CA 3.35Å; E30-V49 WeakPolarHBondContact O-CG1 3.3Å; I31-V49 HydrophobicContact CB-CG1 4.06Å; I31-V49 HydrophobicContact CG1-CG1 3.6Å; I31-V49 HydrophobicContact CG2-CG1 4.38Å
50	S	90.5	Very high	64.6	Low	3 Å²	3	99.6 Å²	99.6	2%	0.021	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	137.7	166.1	-177.7	0	0	0	0	109	M1 P2 I29 E30	M1-S50 WeakPolarHBondContact CB-OG 3.4Å; P2-S50 WeakPolarHBondContact O-CA 3.37Å; I29-S50 WeakPolarHBondContact CA-O 3.43Å; E30-S50 PolarHBondContact N-O 3.49Å; E30-S50 PolarHBondContact O-N 2.88Å
51	I	92.1	Very high	63.5	Low	0 Å²	0	98.3 Å²	98.3	0%	0	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	128.3	178.4	-51.2	-173.3	0	0	0	109.9	P2 Y4 I13 L20 V27 D28 I29	P2-I51 PolarHBondContact O-N 3.29Å; Y4-I51 HydrophobicContact CD2-CB 4.22Å; Y4-I51 HydrophobicContact CD2-CD1 4.15Å; Y4-I51 HydrophobicContact CD2-CG1 3.97Å; Y4-I51 HydrophobicContact CE2-CB 4.04Å; Y4-I51 HydrophobicContact CE2-CG1 4.3Å; I13-I51 HydrophobicContact CG2-CD1 4.48Å; L20-I51 HydrophobicContact CD1-CB 4.03Å; L20-I51 HydrophobicContact CD1-CG2 3.57Å; V27-I51 HydrophobicContact CB-CG2 3.57Å; V27-I51 HydrophobicContact CG1-CG2 3.83Å; V27-I51 HydrophobicContact CG2-CG2 3.65Å; D28-I51 WeakPolarHBondContact O-CA 3.45Å; I29-I51 HydrophobicContact CG1-CD1 4.36Å; I29-I51 HydrophobicContact CG1-CG1 4.12Å; I29-I51 HydrophobicContact CG1-CG2 4.06Å; I29-I51 HydrophobicContact CG2-CG1 4.33Å
52	E	84.1	Confident	62.5	Low	81 Å²	81	101 Å²	101	38%	0.379	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	142.2	178.7	-70.6	-170.6	162.8	0	0	112	M1 V27 D28	M1-E52 WeakPolarHBondContact CG-OE1 3.23Å; V27-E52 CarbonylContact C-O 3.39Å; V27-E52 WeakPolarHBondContact CA-O 3.44Å; V27-E52 WeakPolarHBondContact CB-O 3.47Å; D28-E52 PolarHBondContact N-O 3.28Å; D28-E52 PolarHBondContact O-N 3.34Å
53	P	81.6	Confident	61.5	Low	70 Å²	70	98.7 Å²	98.7	46%	0.455	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	134.3	172.8	-17.4	30.1	0	0	0	112.1	L22 A26 I55	L22-P53 HydrophobicContact CD1-CB 3.7Å; L22-P53 HydrophobicContact CD1-CG 3.72Å; A26-P53 WeakPolarHBondContact O-CA 3.5Å; P53-I55 PolarHBondContact O-N 2.78Å; P53-I55 VanDerWaalsContact O-N 3.09Å
54	I	79.9	Confident	60.2	Low	80 Å²	80	105 Å²	105	41%	0.41	54%	0.537	S	S	.	.			trans	-70.6	107.2	169.5	-62.8	169.5	0	0	0	107.3	A26 V56	A26-I54 PolarHBondContact O-N 3.22Å; I54-V56 HydrophobicContact CG2-CG2 4.25Å; I54-V56 PolarHBondContact O-N 3.18Å
55	I	62.9	Low	58.3	Low	149 Å²	149	102.4 Å²	102.4	76%	0.764	55%	0.545	S	S	*	.			trans	-72.8	95.4	171.1	-56.5	172.2	0	0	0	106.5	P53 E57	P53-I55 PolarHBondContact O-N 2.78Å; P53-I55 VanDerWaalsContact O-N 3.09Å; I55-E57 PolarHBondContact O-N 3.04Å; I55-E57 VanDerWaalsContact O-N 3.1Å
56	V	49.7	Very low	56	Low	116 Å²	116	99.4 Å²	99.4	70%	0.703	55%	0.551	S	S	*	*			trans	-70.2	107.7	167.5	-173.5	0	0	0	0	106.1	I54 K58	I54-V56 HydrophobicContact CG2-CG2 4.25Å; I54-V56 PolarHBondContact O-N 3.18Å; V56-K58 VanDerWaalsContact C-N 3.3Å; V56-K58 PolarHBondContact O-N 3.32Å
57	E	39	Very low	53.1	Low	169 Å²	169	105.7 Å²	105.7	79%	0.79	58%	0.578	S	S	*	*			trans	-52.9	98	167.9	-78.5	-177.6	159.2	0	0	107.8	I55 N59	I55-E57 PolarHBondContact O-N 3.04Å; I55-E57 VanDerWaalsContact O-N 3.1Å; E57-N59 VanDerWaalsContact C-N 3.3Å; E57-N59 PolarHBondContact O-N 3.36Å
58	K	32.4	Very low	49.9	Very low	189 Å²	189	114.9 Å²	114.9	82%	0.822	62%	0.621	S	S	*	*			trans	-65.1	102.3	164.6	-87	-177.4	175.4	176.6	0	104.9	V56 I60	V56-K58 VanDerWaalsContact C-N 3.3Å; V56-K58 PolarHBondContact O-N 3.32Å; K58-I60 PolarHBondContact O-N 3.29Å
59	N	29.3	Very low	46.7	Very low	147 Å²	147	115.5 Å²	115.5	79%	0.786	64%	0.639	S	S	*	*			trans	-38.8	106.9	161.9	-80.5	-35.4	0	0	0	107.5	E57 V61	E57-N59 VanDerWaalsContact C-N 3.3Å; E57-N59 PolarHBondContact O-N 3.36Å; N59-V61 VanDerWaalsContact C-N 3.27Å; N59-V61 PolarHBondContact O-N 3.02Å
60	I	26.4	Very low	43.3	Very low	157 Å²	157	123 Å²	123	81%	0.805	68%	0.677	S	S	*	*			trans	-67.4	98.3	177.1	-65.2	173.4	0	0	0	104.5	K58 T62	K58-I60 PolarHBondContact O-N 3.29Å; I60-T62 PolarHBondContact O-N 3.48Å
61	V	26.8	Very low	40.1	Very low	128 Å²	128	131.4 Å²	131.4	78%	0.776	71%	0.714	S	S	*	*			trans	-57.2	107.7	167.4	175.9	0	0	0	0	105.8	N59 S63	N59-V61 VanDerWaalsContact C-N 3.27Å; N59-V61 PolarHBondContact O-N 3.02Å; V61-S63 PolarHBondContact O-N 3.22Å
62	T	26.9	Very low	36.7	Very low	126 Å²	126	139.9 Å²	139.9	77%	0.773	75%	0.753	S	S	*	*			trans	-61.6	106.2	171.4	45.8	0	0	0	0	108.1	I60 E64	I60-T62 PolarHBondContact O-N 3.48Å; T62-E64 PolarHBondContact O-N 3.2Å
63	S	23	Very low	33.6	Very low	115 Å²	115	145.4 Å²	145.4	80%	0.804	78%	0.779	S	S	*	*			trans	-77.9	96.8	174.4	56.9	0	0	0	0	109.4	V61	V61-S63 PolarHBondContact O-N 3.22Å
64	E	25.3	Very low	30.6	Very low	187 Å²	187	151.6 Å²	151.6	87%	0.874	80%	0.799	S	S	*	*			trans	-112.9	117.9	159.5	-80.7	-171	160.2	0	0	109.5	T62	T62-E64 PolarHBondContact O-N 3.2Å
65	A	24	Very low	27.9	Very low	103 Å²	103	154.3 Å²	154.3	85%	0.851	82%	0.819	S	S	*	*			trans	15	123.5	157.9	0	0	0	0	0	120.3
66	A	24.8	Very low	25.9	Very low	100 Å²	100	156 Å²	156	83%	0.826	82%	0.824	S	S	*	*			trans	-165.9	127.6	134.3	0	0	0	0	0	111.9
67	E	23.7	Very low	24.7	Very low	193 Å²	193	159.6 Å²	159.6	90%	0.902	83%	0.833	S	S	*	*			trans	-64.2	138.1	163.1	-68.7	173.4	137.8	0	0	110.9	P69	E67-P69 WeakPolarHBondContact O-CD 3.41Å
68	E	21.2	Very low	23.9	Very low	193 Å²	193	160.2 Å²	160.2	90%	0.902	83%	0.833	S	S	*	*			trans	-77.3	131.3	166	-73.4	-178.7	145	0	0	110.9
69	P	25.2	Very low	23.4	Very low	120 Å²	120	159.8 Å²	159.8	78%	0.779	84%	0.839	S	S	*	*			trans	-130.3	124	136	28.1	-12.5	0	0	0	112.3	E67	E67-P69 WeakPolarHBondContact O-CD 3.41Å
70	I	21.3	Very low	23	Very low	157 Å²	157	160.5 Å²	160.5	81%	0.805	84%	0.838	S	S	*	*			trans	-26.5	128.3	166.8	-35.2	175.9	0	0	0	115.8
71	K	22.6	Very low	22.9	Very low	180 Å²	180	161.9 Å²	161.9	78%	0.783	84%	0.84	S	S	*	*			trans	138.1	95.6	130.3	-76.1	-169.7	175.1	173.3	0	114.9
72	E	19.7	Very low	22.8	Very low	178 Å²	178	165.5 Å²	165.5	83%	0.832	85%	0.849	S	S	*	*				32.3	97.7	129.7	-66.4	176.3	155.3	0	0	118.6
73	Q	20.9	Very low	22.7	Very low	196 Å²	196	165.7 Å²	165.7	92%	0.916	85%	0.85	S	S	*	*			trans	-149.9	115.9	139.9	-109.6	173.5	7.2	0	0	110.2
74	F	18.8	Very low	22.6	Very low	200 Å²	200	165.1 Å²	165.1	88%	0.877	85%	0.846	S	S	*	*			trans	-67.8	125.2	173.5	-82.2	-106.2	0	0	0	110.8
75	V	23	Very low	22.5	Very low	138 Å²	138	165.7 Å²	165.7	84%	0.836	85%	0.845	S	S	*	*			trans	-140.4	121.5	149.7	-179	0	0	0	0	108.3
76	E	20.3	Very low	22.4	Very low	183 Å²	183	166.6 Å²	166.6	86%	0.855	84%	0.843	S	S	*	*			trans	-65.3	129.9	171	-64.8	168.4	134.6	0	0	110.5
77	E	24.4	Very low	22.4	Very low	193 Å²	193	169.6 Å²	169.6	90%	0.902	84%	0.843	S	S	*	*			trans	-138.6	126.3	152.5	-108.8	-179.8	-178.7	0	0	110.3
78	K	21.8	Very low	22.3	Very low	181 Å²	181	168.8 Å²	168.8	79%	0.787	84%	0.839	S	S	*	*			trans	-74.5	132	177.5	-70.8	173.5	167.3	-172.4	0	110.1
79	L	23	Very low	22.3	Very low	181 Å²	181	166.1 Å²	166.1	95%	0.948	84%	0.836	S	S	*	*			trans	-136.2	100	153.4	-84.2	164	0	0	0	108.5
80	E	20.9	Very low	22.3	Very low	162 Å²	162	166 Å²	166	76%	0.757	83%	0.833	S	S	*	*			trans	-82.7	154.4	163.4	-73.3	171.5	151.3	0	0	109.3
81	E	24	Very low	22.4	Very low	185 Å²	185	166.4 Å²	166.4	86%	0.864	84%	0.837	S	S	*	*			trans	69.9	98.3	160.7	-67.1	-177.2	163.8	0	0	119.3
82	E	24.5	Very low	22.5	Very low	204 Å²	204	163.6 Å²	163.6	95%	0.953	84%	0.835	S	S	*	*			trans	-153.5	90.8	131.4	-112.8	179	-172.3	0	0	109.6
83	V	23.7	Very low	22.8	Very low	131 Å²	131	160.5 Å²	160.5	79%	0.794	83%	0.831	S	S	*	*			trans	-99.8	136.7	174.1	171.5	0	0	0	0	108.7
84	S	21.9	Very low	23	Very low	102 Å²	102	156.2 Å²	156.2	71%	0.713	82%	0.822	S	S	*	*			trans	71.9	100.6	158.8	69.1	0	0	0	0	118.9
85	K	22.1	Very low	23.2	Very low	199 Å²	199	155.6 Å²	155.6	87%	0.865	82%	0.822	S	S	*	*			trans	-124.5	119.3	137.9	-79.6	-173.5	179.5	175.1	0	108.8
86	P	22.9	Very low	23.3	Very low	123 Å²	123	156.6 Å²	156.6	80%	0.799	82%	0.822	S	S	*	*			trans	-67.2	129.9	169.4	-5.9	21.5	0	0	0	108.4	E88	P86-E88 PolarHBondContact O-N 2.81Å
87	I	23.9	Very low	23.6	Very low	162 Å²	162	153.6 Å²	153.6	83%	0.831	82%	0.816	S	S	*	*			trans	-73.4	115.6	173.6	-65	171.1	0	0	0	107.1	T89	I87-T89 PolarHBondContact O-N 2.76Å
88	E	21.7	Very low	23.6	Very low	177 Å²	177	153.5 Å²	153.5	83%	0.827	82%	0.815	S	S	*	*			trans	-59.7	123.2	166.8	-79.9	177.5	154	0	0	109.2	P86 T90	P86-E88 PolarHBondContact O-N 2.81Å; E88-T90 PolarHBondContact O-N 3.06Å; E88-T90 VanDerWaalsContact O-N 3.11Å
89	T	22.7	Very low	24	Very low	137 Å²	137	149.2 Å²	149.2	84%	0.84	80%	0.801	S	S	*	*			trans	-67.1	100.8	174.4	33.7	0	0	0	0	109	I87 D91	I87-T89 PolarHBondContact O-N 2.76Å; T89-D91 PolarHBondContact O-N 3.47Å
90	T	24.4	Very low	25.1	Very low	117 Å²	117	146 Å²	146	72%	0.718	78%	0.784	S	S	*	*			trans	-72.7	111.9	170.4	43.6	0	0	0	0	109.4	E88 T92	E88-T90 PolarHBondContact O-N 3.06Å; E88-T90 VanDerWaalsContact O-N 3.11Å; T90-T92 PolarHBondContact O-N 2.91Å; T90-T92 PolarHBondContact O-OG1 2.96Å
91	D	24.3	Very low	26.5	Very low	165 Å²	165	145.1 Å²	145.1	88%	0.882	78%	0.78	S	S	*	*			trans	-46.8	100.2	163.2	-77.6	-38.8	0	0	0	110.2	T89	T89-D91 PolarHBondContact O-N 3.47Å
92	T	23.3	Very low	28	Very low	121 Å²	121	142 Å²	142	74%	0.742	77%	0.769	S	S	*	*			trans	-120.2	106.1	164.9	1.1	0	0	0	0	106.5	T90 S94	T90-T92 PolarHBondContact O-N 2.91Å; T90-T92 PolarHBondContact O-OG1 2.96Å; T92-S94 PolarHBondContact O-N 2.84Å
93	P	25.9	Very low	29.4	Very low	114 Å²	114	138 Å²	138	74%	0.74	75%	0.751	S	S	*	*			trans	-60.2	133.7	177.2	-18	29.6	0	0	0	109.5	Q95	P93-Q95 PolarHBondContact O-N 2.87Å; P93-Q95 VanDerWaalsContact O-N 3.15Å
94	S	25.1	Very low	30.9	Very low	105 Å²	105	133.8 Å²	133.8	73%	0.734	73%	0.73	S	S	*	*			trans	-35.7	116.7	167	47.5	0	0	0	0	111.1	T92 L96	T92-S94 PolarHBondContact O-N 2.84Å; S94-L96 VanDerWaalsContact C-N 3.3Å; S94-L96 PolarHBondContact O-N 3.27Å
95	Q	24.4	Very low	32.7	Very low	187 Å²	187	130.6 Å²	130.6	87%	0.874	71%	0.706	S	S	*	*			trans	-63.5	92.5	171.8	-70.8	179.6	-27.4	0	0	108.4	P93 V97	P93-Q95 PolarHBondContact O-N 2.87Å; P93-Q95 VanDerWaalsContact O-N 3.15Å; Q95-V97 PolarHBondContact O-N 2.98Å
96	L	23.6	Very low	34.4	Very low	159 Å²	159	128.3 Å²	128.3	83%	0.832	70%	0.696	S	S	*	*			trans	-61.3	111.8	154.7	-79.4	156.1	0	0	0	105.4	S94 E98	S94-L96 VanDerWaalsContact C-N 3.3Å; S94-L96 PolarHBondContact O-N 3.27Å; L96-E98 PolarHBondContact O-N 3.19Å
97	V	26.8	Very low	36.3	Very low	120 Å²	120	128.5 Å²	128.5	73%	0.727	69%	0.686	S	S	*	*			trans	-64.8	104.3	171.3	179.7	0	0	0	0	105.8	Q95 L99	Q95-V97 PolarHBondContact O-N 2.98Å; V97-L99 VanDerWaalsContact C-N 3.31Å; V97-L99 PolarHBondContact O-N 3.12Å
98	E	25.6	Very low	38.1	Very low	191 Å²	191	124.7 Å²	124.7	89%	0.893	67%	0.667	S	S	*	*			trans	-60.9	98.1	165.8	-82.9	179.2	155.4	0	0	106.8	L96	L96-E98 PolarHBondContact O-N 3.19Å
99	L	30.3	Very low	39.9	Very low	92 Å²	92	117 Å²	117	48%	0.482	63%	0.634	S	S	.	*			trans	-68.2	130.2	163.4	-75.7	161.7	0	0	0	107.1	V97 E101 E103	V97-L99 VanDerWaalsContact C-N 3.31Å; V97-L99 PolarHBondContact O-N 3.12Å; L99-E101 PolarHBondContact O-N 2.81Å; L99-E103 HydrophobicContact CD2-CG 4.45Å
100	D	44.9	Very low	42	Very low	113 Å²	113	115.8 Å²	115.8	60%	0.604	62%	0.622	S	S	*	*			trans	-53.8	134.5	169.2	-164.4	-5.4	0	0	0	108.4	D102 E103 A104	D100-D102 PolarHBondContact O-N 2.87Å; D100-E103 PolarHBondContact O-N 3.34Å; D100-A104 PolarHBondContact O-N 2.92Å
101	E	51.3	Low	43.8	Very low	144 Å²	144	117.5 Å²	117.5	67%	0.673	62%	0.616	S	S	*	*	H	α-helix	trans	-53.9	-33.3	-173.7	-81.5	-178.8	151.6	0	0	111.4	L99 E103 V105	L99-E101 PolarHBondContact O-N 2.81Å; E101-E103 VanDerWaalsContact C-N 3.32Å; E101-E103 PolarHBondContact O-N 2.9Å; E101-V105 VanDerWaalsContact O-CG2 3.24Å; E101-V105 WeakPolarHBondContact O-CG2 3.35Å; E101-V105 PolarHBondContact O-N 2.79Å
102	D	54.6	Low	45.5	Very low	118 Å²	118	112 Å²	112	63%	0.631	59%	0.587	S	S	*	*	H	α-helix	trans	-66.5	-28.5	177.1	-84.3	-18.6	0	0	0	113.7	D100 K106	D100-D102 PolarHBondContact O-N 2.87Å; D102-K106 WeakPolarHBondContact O-CG 3.29Å; D102-K106 PolarHBondContact O-N 2.74Å
103	E	53.2	Low	47.3	Very low	120 Å²	120	108.1 Å²	108.1	56%	0.561	56%	0.563	S	S	*	*	H	α-helix	trans	-82.3	-41.6	-179.2	-163.5	133	-149.2	0	0	111.3	L99 D100 E101 V105 K106 E107	L99-E103 HydrophobicContact CD2-CG 4.45Å; D100-E103 PolarHBondContact O-N 3.34Å; E101-E103 VanDerWaalsContact C-N 3.32Å; E101-E103 PolarHBondContact O-N 2.9Å; E103-V105 VanDerWaalsContact C-N 3.3Å; E103-V105 PolarHBondContact O-N 2.74Å; E103-K106 WeakPolarHBondContact O-CB 3.3Å; E103-K106 PolarHBondContact O-N 3.15Å; E103-K106 VanDerWaalsContact O-N 3.15Å; E103-E107 PolarHBondContact O-N 3.28Å
104	A	55.5	Low	49.1	Very low	43 Å²	43	106.7 Å²	106.7	36%	0.355	55%	0.549	S	S	.	.	H	α-helix	trans	-60.6	-39.5	173.2	0	0	0	0	0	111.9	D100 E107 L108	D100-A104 PolarHBondContact O-N 2.92Å; A104-E107 PolarHBondContact O-N 3.33Å; A104-L108 WeakPolarHBondContact O-CB 3.33Å; A104-L108 PolarHBondContact O-N 2.92Å
105	V	60.1	Low	50.8	Low	35 Å²	35	104.6 Å²	104.6	21%	0.212	53%	0.529	C	S	.	.	H	α-helix	trans	-64.2	-39.3	175.5	169.5	0	0	0	0	111.6	E101 E103 L108 A109 I127	E101-V105 VanDerWaalsContact O-CG2 3.24Å; E101-V105 WeakPolarHBondContact O-CG2 3.35Å; E101-V105 PolarHBondContact O-N 2.79Å; E103-V105 VanDerWaalsContact C-N 3.3Å; E103-V105 PolarHBondContact O-N 2.74Å; V105-L108 PolarHBondContact O-N 2.85Å; V105-A109 WeakPolarHBondContact O-CB 3.45Å; V105-A109 PolarHBondContact O-N 2.98Å; V105-I127 HydrophobicContact CG1-CB 3.68Å; V105-I127 HydrophobicContact CG1-CD1 4.08Å; V105-I127 HydrophobicContact CG1-CG1 4.38Å; V105-I127 HydrophobicContact CG1-CG2 3.7Å
106	K	59	Low	52.4	Low	152 Å²	152	96.4 Å²	96.4	66%	0.661	49%	0.491	S	S	*	.	H	α-helix	trans	-66.1	-43.9	175.6	-81.5	175	-178.8	167	0	112.5	D102 E103 L108 A109 L110	D102-K106 WeakPolarHBondContact O-CG 3.29Å; D102-K106 PolarHBondContact O-N 2.74Å; E103-K106 WeakPolarHBondContact O-CB 3.3Å; E103-K106 PolarHBondContact O-N 3.15Å; E103-K106 VanDerWaalsContact O-N 3.15Å; K106-L108 VanDerWaalsContact C-N 3.32Å; K106-L108 PolarHBondContact O-N 3.18Å; K106-A109 PolarHBondContact O-N 2.91Å; K106-L110 WeakPolarHBondContact O-CB 3.44Å; K106-L110 PolarHBondContact O-N 3.06Å
107	E	61	Low	54.1	Low	127 Å²	127	92.5 Å²	92.5	59%	0.593	47%	0.471	S	S	*	.	H	α-helix	trans	-60.3	-43.9	176.3	-105.6	-169.8	158.3	0	0	111.4	E103 A104 A109 L110 Y111	E103-E107 PolarHBondContact O-N 3.28Å; A104-E107 PolarHBondContact O-N 3.33Å; E107-A109 PolarHBondContact O-N 3.32Å; E107-L110 PolarHBondContact O-N 2.9Å; E107-Y111 WeakPolarHBondContact O-CB 3.29Å; E107-Y111 PolarHBondContact O-N 3.11Å
108	L	61.7	Low	55.3	Low	81 Å²	81	93.8 Å²	93.8	42%	0.424	47%	0.474	S	S	.	.	H	α-helix	trans	-63	-43.2	177.5	-155.5	87.7	0	0	0	111.8	A104 V105 K106 L110 Y111 L112 I127	A104-L108 WeakPolarHBondContact O-CB 3.33Å; A104-L108 PolarHBondContact O-N 2.92Å; V105-L108 PolarHBondContact O-N 2.85Å; K106-L108 VanDerWaalsContact C-N 3.32Å; K106-L108 PolarHBondContact O-N 3.18Å; L108-L110 VanDerWaalsContact C-N 3.35Å; L108-Y111 PolarHBondContact O-N 3.34Å; L108-L112 HydrophobicContact CD2-CD1 4.42Å; L108-L112 HydrophobicContact CG-CD1 4.38Å; L108-L112 WeakPolarHBondContact O-CB 3.36Å; L108-L112 WeakPolarHBondContact O-CG 3.39Å; L108-L112 PolarHBondContact O-N 3.41Å; L108-I127 HydrophobicContact CB-CD1 4.26Å; L108-I127 HydrophobicContact CD2-CD1 4.12Å
109	A	60.5	Low	56.7	Low	17 Å²	17	91 Å²	91	14%	0.14	46%	0.463	C	S	.	.	H	α-helix	trans	-63.1	-40.7	176.9	0	0	0	0	0	111.9	V105 K106 E107 T113 I127	V105-A109 WeakPolarHBondContact O-CB 3.45Å; V105-A109 PolarHBondContact O-N 2.98Å; K106-A109 PolarHBondContact O-N 2.91Å; E107-A109 PolarHBondContact O-N 3.32Å; A109-T113 WeakPolarHBondContact O-CB 3.41Å; A109-T113 PolarHBondContact O-N 3.37Å; A109-T113 PolarHBondContact O-OG1 3.03Å; A109-I127 HydrophobicContact CB-CD1 3.83Å; A109-I127 HydrophobicContact CB-CG1 4.22Å
110	L	65.8	Low	57.4	Low	110 Å²	110	89.1 Å²	89.1	58%	0.576	47%	0.466	S	S	*	.	H	α-helix	trans	-66.3	-46.4	177.1	-168.6	73.8	0	0	0	111.3	K106 E107 L108 L112 T113 N114	K106-L110 WeakPolarHBondContact O-CB 3.44Å; K106-L110 PolarHBondContact O-N 3.06Å; E107-L110 PolarHBondContact O-N 2.9Å; L108-L110 VanDerWaalsContact C-N 3.35Å; L110-L112 VanDerWaalsContact C-N 3.34Å; L110-L112 PolarHBondContact O-N 3.28Å; L110-T113 PolarHBondContact O-N 3.2Å; L110-N114 PolarHBondContact O-N 3.04Å
111	Y	63.4	Low	57.8	Low	153 Å²	153	86.8 Å²	86.8	60%	0.6	46%	0.455	S	S	*	.	H	α-helix	trans	-57.8	-45.6	177.1	-178.1	-105.5	0	0	0	111.9	E107 L108 N114 I115	E107-Y111 WeakPolarHBondContact O-CB 3.29Å; E107-Y111 PolarHBondContact O-N 3.11Å; L108-Y111 PolarHBondContact O-N 3.34Å; Y111-N114 PolarHBondContact O-N 2.86Å; Y111-I115 HydrophobicContact CD1-CD1 3.81Å; Y111-I115 HydrophobicContact CE1-CD1 3.36Å; Y111-I115 HydrophobicContact CE1-CG1 4.46Å; Y111-I115 WeakPolarHBondContact O-CG1 3.43Å; Y111-I115 PolarHBondContact O-N 2.93Å; Y111-I115 VanDerWaalsContact O-N 3.11Å
112	L	60.6	Low	57.9	Low	51 Å²	51	83.3 Å²	83.3	27%	0.267	45%	0.445	S	S	.	.	H	α-helix	trans	-67.7	-38.7	177	-73.1	167.8	0	0	0	112.5	L108 L110 N114 I115 T116 V125 M137	L108-L112 HydrophobicContact CD2-CD1 4.42Å; L108-L112 HydrophobicContact CG-CD1 4.38Å; L108-L112 WeakPolarHBondContact O-CB 3.36Å; L108-L112 WeakPolarHBondContact O-CG 3.39Å; L108-L112 PolarHBondContact O-N 3.41Å; L110-L112 VanDerWaalsContact C-N 3.34Å; L110-L112 PolarHBondContact O-N 3.28Å; L112-N114 VanDerWaalsContact C-N 3.28Å; L112-N114 PolarHBondContact O-N 2.89Å; L112-I115 PolarHBondContact O-N 2.89Å; L112-T116 WeakPolarHBondContact O-CG2 3.31Å; L112-T116 PolarHBondContact O-N 3.43Å; L112-T116 PolarHBondContact O-OG1 3.4Å; L112-V125 HydrophobicContact CB-CG1 4.46Å; L112-V125 HydrophobicContact CB-CG2 3.98Å; L112-V125 HydrophobicContact CD1-CG1 4.28Å; L112-M137 HydrophobicContact CD1-SD 3.91Å
113	T	60	Low	58	Low	39 Å²	39	78.1 Å²	78.1	24%	0.239	42%	0.419	C	S	.	.	H	α-helix	trans	-59.4	-42.8	175.4	-57.1	0	0	0	0	110.5	A109 L110 T116 N117	A109-T113 WeakPolarHBondContact O-CB 3.41Å; A109-T113 PolarHBondContact O-N 3.37Å; A109-T113 PolarHBondContact O-OG1 3.03Å; L110-T113 PolarHBondContact O-N 3.2Å; T113-T116 PolarHBondContact O-N 2.94Å; T113-T116 PolarHBondContact O-OG1 3.36Å; T113-N117 PolarHBondContact O-N 3.37Å; T113-N117 PolarHBondContact O-ND2 2.99Å
114	N	64	Low	58.1	Low	83 Å²	83	77.6 Å²	77.6	44%	0.444	42%	0.419	S	S	.	.	H	α-helix	trans	-61.9	-45	175.5	-70.7	-14.4	0	0	0	112.2	L110 Y111 L112 T116 N117 D118	L110-N114 PolarHBondContact O-N 3.04Å; Y111-N114 PolarHBondContact O-N 2.86Å; L112-N114 VanDerWaalsContact C-N 3.28Å; L112-N114 PolarHBondContact O-N 2.89Å; N114-T116 VanDerWaalsContact C-N 3.31Å; N114-T116 PolarHBondContact O-N 3.33Å; N114-N117 WeakPolarHBondContact O-CB 3.34Å; N114-N117 PolarHBondContact O-N 2.9Å; N114-D118 PolarHBondContact O-N 2.91Å
115	I	59.9	Low	58	Low	61 Å²	61	76.3 Å²	76.3	31%	0.313	41%	0.407	S	S	.	.	H	α-helix	trans	-59.3	-42.6	175.2	-69.4	169.6	0	0	0	111.4	Y111 L112 N117 D118 M119	Y111-I115 HydrophobicContact CD1-CD1 3.81Å; Y111-I115 HydrophobicContact CE1-CD1 3.36Å; Y111-I115 HydrophobicContact CE1-CG1 4.46Å; Y111-I115 WeakPolarHBondContact O-CG1 3.43Å; Y111-I115 PolarHBondContact O-N 2.93Å; Y111-I115 VanDerWaalsContact O-N 3.11Å; L112-I115 PolarHBondContact O-N 2.89Å; I115-N117 VanDerWaalsContact C-N 3.3Å; I115-N117 PolarHBondContact O-N 2.84Å; I115-D118 PolarHBondContact O-N 2.87Å; I115-M119 HydrophobicContact CG2-CE 4.05Å; I115-M119 HydrophobicContact CG2-SD 4.5Å; I115-M119 WeakPolarHBondContact O-CG 3.46Å; I115-M119 PolarHBondContact O-N 3.01Å
116	T	57.9	Low	57.7	Low	15 Å²	15	79 Å²	79	9%	0.092	42%	0.416	C	S	.	.	H	α-helix	trans	-66.8	-33.6	179.8	61.8	0	0	0	0	112.5	L112 T113 N114 M119 G120 V121 A123 L139	L112-T116 WeakPolarHBondContact O-CG2 3.31Å; L112-T116 PolarHBondContact O-N 3.43Å; L112-T116 PolarHBondContact O-OG1 3.4Å; T113-T116 PolarHBondContact O-N 2.94Å; T113-T116 PolarHBondContact O-OG1 3.36Å; N114-T116 VanDerWaalsContact C-N 3.31Å; N114-T116 PolarHBondContact O-N 3.33Å; T116-M119 PolarHBondContact O-N 3.07Å; T116-G120 PolarHBondContact O-N 2.98Å; T116-V121 CarbonylContact C-O 3.59Å; T116-V121 WeakPolarHBondContact CB-O 3.38Å; T116-V121 CarbonylContact O-C 3.53Å; T116-V121 VanDerWaalsContact O-C 3.28Å; T116-V121 PolarHBondContact O-N 3.1Å; T116-V121 VanDerWaalsContact O-O 3.13Å; T116-A123 HydrophobicContact CG2-CB 4.12Å; T116-L139 HydrophobicContact CG2-CD2 3.99Å
117	N	59.8	Low	57.5	Low	77 Å²	77	73.2 Å²	73.2	41%	0.412	39%	0.392	S	S	.	.	H	α-helix	trans	-67.1	-44.2	172.6	-71.5	-23	0	0	0	111.6	T113 N114 I115 M119 G120 P122	T113-N117 PolarHBondContact O-N 3.37Å; T113-N117 PolarHBondContact O-ND2 2.99Å; N114-N117 WeakPolarHBondContact O-CB 3.34Å; N114-N117 PolarHBondContact O-N 2.9Å; I115-N117 VanDerWaalsContact C-N 3.3Å; I115-N117 PolarHBondContact O-N 2.84Å; N117-M119 PolarHBondContact O-N 2.63Å; N117-G120 WeakPolarHBondContact O-CA 3.17Å; N117-G120 PolarHBondContact O-N 2.83Å; N117-P122 WeakPolarHBondContact OD1-CA 3.21Å; N117-P122 WeakPolarHBondContact OD1-CB 3.41Å
118	D	52.7	Low	57.2	Low	148 Å²	148	72.5 Å²	72.5	79%	0.791	39%	0.389	S	S	*	.	H	α-helix	trans	-62.7	-30.4	176.9	-76	-10.4	0	0	0	112.6	N114 I115 G120	N114-D118 PolarHBondContact O-N 2.91Å; I115-D118 PolarHBondContact O-N 2.87Å; D118-G120 PolarHBondContact O-N 2.85Å
119	M	54	Low	56.6	Low	132 Å²	132	73.8 Å²	73.8	65%	0.65	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	0	173	-66.9	-166.6	-58.3	0	0	113.8	I115 T116 N117 V121	I115-M119 HydrophobicContact CG2-CE 4.05Å; I115-M119 HydrophobicContact CG2-SD 4.5Å; I115-M119 WeakPolarHBondContact O-CG 3.46Å; I115-M119 PolarHBondContact O-N 3.01Å; T116-M119 PolarHBondContact O-N 3.07Å; N117-M119 PolarHBondContact O-N 2.63Å; M119-V121 VanDerWaalsContact C-N 3.33Å; M119-V121 PolarHBondContact O-N 2.79Å
120	G	44.6	Very low	56	Low	52 Å²	52	78 Å²	78	54%	0.536	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	18.6	-179.7	0	0	0	0	0	114.7	T116 N117 D118	T116-G120 PolarHBondContact O-N 2.98Å; N117-G120 WeakPolarHBondContact O-CA 3.17Å; N117-G120 PolarHBondContact O-N 2.83Å; D118-G120 PolarHBondContact O-N 2.85Å
121	V	53.7	Low	55.2	Low	64 Å²	64	78.4 Å²	78.4	39%	0.388	43%	0.428	S	S	.	.			trans	-124.5	77.9	179.6	-169.2	0	0	0	0	109.3	T116 M119 A123 T141	T116-V121 CarbonylContact C-O 3.59Å; T116-V121 WeakPolarHBondContact CB-O 3.38Å; T116-V121 CarbonylContact O-C 3.53Å; T116-V121 VanDerWaalsContact O-C 3.28Å; T116-V121 PolarHBondContact O-N 3.1Å; T116-V121 VanDerWaalsContact O-O 3.13Å; M119-V121 VanDerWaalsContact C-N 3.33Å; M119-V121 PolarHBondContact O-N 2.79Å; V121-A123 PolarHBondContact O-N 2.94Å; V121-T141 HydrophobicContact CG1-CG2 3.95Å
122	P	54.1	Low	54.4	Low	72 Å²	72	74.8 Å²	74.8	47%	0.468	43%	0.425	S	S	.	.			trans	-58.2	117	179.6	21	-31.1	0	0	0	110.5	N117	N117-P122 WeakPolarHBondContact OD1-CA 3.21Å; N117-P122 WeakPolarHBondContact OD1-CB 3.41Å
123	A	56.7	Low	53.4	Low	9 Å²	9	75 Å²	75	7%	0.074	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	140.6	-176.9	0	0	0	0	0	110	T116 V121 L139 E140 T141	T116-A123 HydrophobicContact CG2-CB 4.12Å; V121-A123 PolarHBondContact O-N 2.94Å; A123-L139 HydrophobicContact CB-CD2 3.53Å; A123-E140 WeakPolarHBondContact CA-O 3.36Å; A123-T141 HydrophobicContact CB-CG2 3.77Å
124	L	55.2	Low	52.3	Low	109 Å²	109	78.4 Å²	78.4	57%	0.571	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	113	172.4	-142.9	148.9	0	0	0	107.6	K126 E140	L124-K126 HydrophobicContact CD2-CG 4.42Å; L124-E140 HydrophobicContact CB-CB 4.38Å; L124-E140 PolarHBondContact N-O 3.05Å; L124-E140 PolarHBondContact O-N 3.42Å
125	V	53.8	Low	51.4	Low	16 Å²	16	78 Å²	78	10%	0.097	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	112	179.7	-174	0	0	0	0	109	L112 I127 L139	L112-V125 HydrophobicContact CB-CG1 4.46Å; L112-V125 HydrophobicContact CB-CG2 3.98Å; L112-V125 HydrophobicContact CD1-CG1 4.28Å; V125-I127 HydrophobicContact CG1-CD1 4.48Å; V125-I127 HydrophobicContact CG1-CG1 4.04Å; V125-L139 HydrophobicContact CG2-CD2 3.75Å
126	K	54	Low	50.7	Low	90 Å²	90	77.3 Å²	77.3	39%	0.391	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.4	169	-80.7	175.2	-177.7	147.8	0	109.5	L124 N138 E140	L124-K126 HydrophobicContact CD2-CG 4.42Å; K126-N138 HydrophobicContact CB-CB 4.29Å; K126-N138 PolarHBondContact N-O 3.18Å; K126-N138 PolarHBondContact O-N 3.02Å; K126-E140 VanDerWaalsContact NZ-CD 3.32Å; K126-E140 IonicContact NZ-OE1 3.33Å; K126-E140 PolarHBondContact NZ-OE1 3.43Å; K126-E140 VanDerWaalsContact NZ-OE1 3.13Å; K126-E140 IonicContact NZ-OE2 3.12Å; K126-E140 PolarHBondContact NZ-OE2 2.93Å
127	I	54.5	Low	50.3	Low	31 Å²	31	81.5 Å²	81.5	16%	0.159	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.8	175.4	-53.9	-172.1	0	0	0	108.3	V105 L108 A109 V125 I135 M137	V105-I127 HydrophobicContact CG1-CB 3.68Å; V105-I127 HydrophobicContact CG1-CD1 4.08Å; V105-I127 HydrophobicContact CG1-CG1 4.38Å; V105-I127 HydrophobicContact CG1-CG2 3.7Å; L108-I127 HydrophobicContact CB-CD1 4.26Å; L108-I127 HydrophobicContact CD2-CD1 4.12Å; A109-I127 HydrophobicContact CB-CD1 3.83Å; A109-I127 HydrophobicContact CB-CG1 4.22Å; V125-I127 HydrophobicContact CG1-CD1 4.48Å; V125-I127 HydrophobicContact CG1-CG1 4.04Å; I127-I135 HydrophobicContact CG2-CG2 3.21Å; I127-M137 HydrophobicContact CG1-CG 4.26Å
128	Q	53.9	Low	49.9	Very low	113 Å²	113	81.2 Å²	81.2	53%	0.528	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.3	176	-72.7	-179.1	-13.9	0	0	110.1	V136	Q128-V136 PolarHBondContact N-O 3.04Å; Q128-V136 PolarHBondContact O-N 3.36Å
129	H	48.8	Very low	49.7	Very low	107 Å²	107	79.3 Å²	79.3	50%	0.495	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.9	170.5	-121.9	-89.2	0	0	0	109.4
130	E	48.4	Very low	49.6	Very low	105 Å²	105	78 Å²	78	49%	0.491	45%	0.452	S	S	.	.			trans	-84.8	152	165.8	-76.5	-159.6	164.4	0	0	111.2	S132 G133 L134 V136	E130-S132 WeakPolarHBondContact CB-OG 3.33Å; E130-S132 PolarHBondContact O-N 2.86Å; E130-S132 PolarHBondContact OE2-OG 2.6Å; E130-G133 PolarHBondContact O-N 3.37Å; E130-L134 PolarHBondContact N-O 2.77Å; E130-V136 HydrophobicContact CG-CG2 3.93Å
131	A	49	Very low	49.9	Very low	119 Å²	119	78.7 Å²	78.7	98%	0.983	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-12.9	175.8	0	0	0	0	0	113.7	G133	A131-G133 VanDerWaalsContact C-N 3.27Å
132	S	47.6	Very low	49.5	Very low	78 Å²	78	80.8 Å²	80.8	55%	0.545	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.5	174.2	55.2	0	0	0	0	113.6	E130 L134	E130-S132 WeakPolarHBondContact CB-OG 3.33Å; E130-S132 PolarHBondContact O-N 2.86Å; E130-S132 PolarHBondContact OE2-OG 2.6Å; S132-L134 VanDerWaalsContact C-N 3.29Å
133	G	39.5	Very low	48.8	Very low	56 Å²	56	84.2 Å²	84.2	58%	0.577	47%	0.471	S	S	*	.	S	Bend	trans	82.2	5.4	-172.4	0	0	0	0	0	113.7	E130 A131	E130-G133 PolarHBondContact O-N 3.37Å; A131-G133 VanDerWaalsContact C-N 3.27Å
134	L	36	Very low	47.9	Very low	110 Å²	110	93.4 Å²	93.4	58%	0.576	51%	0.512	S	S	*	.			trans	-83.6	136.2	173.4	-89.2	148.2	0	0	0	111.1	E130 S132	E130-L134 PolarHBondContact N-O 2.77Å; S132-L134 VanDerWaalsContact C-N 3.29Å
135	I	45.4	Very low	46.7	Very low	74 Å²	74	91.7 Å²	91.7	38%	0.379	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	111.5	170.5	-62.4	179.4	0	0	0	107.6	I127 M137	I127-I135 HydrophobicContact CG2-CG2 3.21Å; I135-M137 HydrophobicContact CG2-CG 4.39Å
136	V	45.6	Very low	45.4	Very low	47 Å²	47	97.5 Å²	97.5	29%	0.285	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.8	175.9	-179.3	0	0	0	0	109	Q128 E130	Q128-V136 PolarHBondContact N-O 3.04Å; Q128-V136 PolarHBondContact O-N 3.36Å; E130-V136 HydrophobicContact CG-CG2 3.93Å
137	M	49.2	Very low	44.1	Very low	102 Å²	102	99.4 Å²	99.4	50%	0.502	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.9	118.4	-179.6	-68	179.7	-87	0	0	110.3	L112 I127 I135	L112-M137 HydrophobicContact CD1-SD 3.91Å; I127-M137 HydrophobicContact CG1-CG 4.26Å; I135-M137 HydrophobicContact CG2-CG 4.39Å
138	N	51.3	Low	42.8	Very low	72 Å²	72	105.1 Å²	105.1	39%	0.385	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.2	123.1	175.4	-74.3	-43.1	0	0	0	110.1	K126	K126-N138 HydrophobicContact CB-CB 4.29Å; K126-N138 PolarHBondContact N-O 3.18Å; K126-N138 PolarHBondContact O-N 3.02Å
139	L	48.6	Very low	41.4	Very low	107 Å²	107	103 Å²	103	56%	0.56	60%	0.599	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.4	109	174.8	-79.5	149.1	0	0	0	109.5	T116 A123 V125	T116-L139 HydrophobicContact CG2-CD2 3.99Å; A123-L139 HydrophobicContact CB-CD2 3.53Å; V125-L139 HydrophobicContact CG2-CD2 3.75Å
140	E	52.9	Low	40.1	Very low	106 Å²	106	107.8 Å²	107.8	50%	0.495	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.7	111.6	172.3	-78.1	174.6	175.4	0	0	109.6	A123 L124 K126	A123-E140 WeakPolarHBondContact CA-O 3.36Å; L124-E140 HydrophobicContact CB-CB 4.38Å; L124-E140 PolarHBondContact N-O 3.05Å; L124-E140 PolarHBondContact O-N 3.42Å; K126-E140 VanDerWaalsContact NZ-CD 3.32Å; K126-E140 IonicContact NZ-OE1 3.33Å; K126-E140 PolarHBondContact NZ-OE1 3.43Å; K126-E140 VanDerWaalsContact NZ-OE1 3.13Å; K126-E140 IonicContact NZ-OE2 3.12Å; K126-E140 PolarHBondContact NZ-OE2 2.93Å
141	T	49.2	Very low	39.1	Very low	66 Å²	66	111.7 Å²	111.7	41%	0.405	64%	0.637	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.9	144.7	174.5	62.8	0	0	0	0	111.1	V121 A123	V121-T141 HydrophobicContact CG1-CG2 3.95Å; A123-T141 HydrophobicContact CB-CG2 3.77Å
142	S	46.7	Very low	37.8	Very low	108 Å²	108	110.3 Å²	110.3	76%	0.755	63%	0.634	S	S	*	*	S	Bend	trans	-79.2	-18.5	177.2	56.6	0	0	0	0	113.4	Q144	S142-Q144 PolarHBondContact O-N 3Å
143	K	38.6	Very low	36.7	Very low	144 Å²	144	109.7 Å²	109.7	63%	0.626	64%	0.64	S	S	*	*			trans	-95.5	90.7	177.2	-82.1	-174.9	176.3	176.3	0	111.1	G145	K143-G145 PolarHBondContact O-N 3.2Å
144	Q	37.3	Very low	35.9	Very low	201 Å²	201	117.7 Å²	117.7	94%	0.939	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	4	169.1	-85.3	-176.9	-10.4	0	0	115	S142	S142-Q144 PolarHBondContact O-N 3Å
145	G	30.5	Very low	35.3	Very low	73 Å²	73	120.9 Å²	120.9	75%	0.753	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.8	-1.6	-163	0	0	0	0	0	118	K143	K143-G145 PolarHBondContact O-N 3.2Å
146	M	25.6	Very low	34.3	Very low	139 Å²	139	123.8 Å²	123.8	69%	0.685	69%	0.691	S	S	*	*	S	Bend	trans	-112.4	6.4	-170.9	-132.5	171.6	87.5	0	0	116.3
147	L	26.9	Very low	33.3	Very low	129 Å²	129	125 Å²	125	68%	0.675	71%	0.706	S	S	*	*	S	Bend	trans	-129.7	115.9	167.5	-77.8	160.9	0	0	0	108.9	I159	L147-I159 HydrophobicContact CD1-CD1 4.11Å
148	I	27.4	Very low	32.1	Very low	152 Å²	152	127.4 Å²	127.4	78%	0.779	72%	0.717	S	S	*	*	S	Bend	trans	88.4	122.4	163.3	-47.8	165.2	0	0	0	116
149	G	24.6	Very low	31.1	Very low	67 Å²	67	129.5 Å²	129.5	69%	0.691	73%	0.727	S	S	*	*			trans	-62.2	150.4	-177.1	0	0	0	0	0	114.1	H151	G149-H151 PolarHBondContact O-N 2.86Å
150	K	22.2	Very low	30.2	Very low	208 Å²	208	128.5 Å²	128.5	90%	0.904	73%	0.725	S	S	*	*			trans	-39.8	106.8	172.2	-73	174.4	171.9	174	0	112.8
151	H	26.5	Very low	29.5	Very low	188 Å²	188	130.4 Å²	130.4	87%	0.87	74%	0.738	S	S	*	*			trans	-138.9	126.4	143.5	-104.1	-62	0	0	0	109.7	G149 G153	G149-H151 PolarHBondContact O-N 2.86Å; H151-G153 PolarHBondContact O-N 3.41Å
152	G	23.1	Very low	29.3	Very low	89 Å²	89	134.3 Å²	134.3	92%	0.918	75%	0.751	S	S	*	*			trans	-59.7	122.4	-173.8	0	0	0	0	0	112.4
153	G	24.6	Very low	29.7	Very low	65 Å²	65	136.1 Å²	136.1	67%	0.67	75%	0.746	S	S	*	*			trans	167.1	123.8	172.1	0	0	0	0	0	108.3	H151 Q155	H151-G153 PolarHBondContact O-N 3.41Å; G153-Q155 PolarHBondContact O-N 3.07Å
154	K	22.8	Very low	31.9	Very low	224 Å²	224	131.8 Å²	131.8	97%	0.974	73%	0.729	S	S	*	*			trans	-63.7	85.6	170.1	-77.5	176.8	172.3	179.7	0	108.4
155	Q	22.9	Very low	34.6	Very low	177 Å²	177	122.4 Å²	122.4	83%	0.827	69%	0.686	S	S	*	*			trans	-116.7	117	159.4	-87	177.8	-13.1	0	0	106.1	G153 A157	G153-Q155 PolarHBondContact O-N 3.07Å; Q155-A157 VanDerWaalsContact C-N 3.32Å; Q155-A157 PolarHBondContact O-N 2.79Å
156	V	23.5	Very low	37.7	Very low	135 Å²	135	118.9 Å²	118.9	82%	0.818	65%	0.65	S	S	*	*			trans	-54.3	108.2	158.2	178.1	0	0	0	0	103.8	E158	V156-E158 PolarHBondContact O-N 2.76Å
157	A	24.6	Very low	41	Very low	73 Å²	73	112.3 Å²	112.3	60%	0.603	62%	0.617	S	S	*	*			trans	-68.8	82	171.3	0	0	0	0	0	105.9	Q155 I159	Q155-A157 VanDerWaalsContact C-N 3.32Å; Q155-A157 PolarHBondContact O-N 2.79Å; A157-I159 PolarHBondContact O-N 2.82Å
158	E	24.7	Very low	44.3	Very low	153 Å²	153	107 Å²	107	72%	0.715	59%	0.592	S	S	*	*			trans	-52.3	103.4	147.8	-85.8	175	152.5	0	0	104.3	V156 T160	V156-E158 PolarHBondContact O-N 2.76Å; E158-T160 HydrophobicContact CB-CG2 4.36Å; E158-T160 PolarHBondContact O-N 3.35Å; E158-T160 PolarHBondContact O-OG1 2.71Å
159	I	29.7	Very low	47.4	Very low	116 Å²	116	102.5 Å²	102.5	60%	0.595	57%	0.569	S	S	*	*			trans	-73.9	57.1	160.4	-51.1	170.6	0	0	0	105.2	L147 A157 L161	L147-I159 HydrophobicContact CD1-CD1 4.11Å; A157-I159 PolarHBondContact O-N 2.82Å; I159-L161 PolarHBondContact O-N 3.35Å; I159-L161 VanDerWaalsContact O-N 3.07Å
160	T	29.9	Very low	50.5	Low	85 Å²	85	101.5 Å²	101.5	52%	0.521	55%	0.552	S	S	.	*			trans	-61.7	101.6	141.5	42.4	0	0	0	0	102.8	E158 E162	E158-T160 HydrophobicContact CB-CG2 4.36Å; E158-T160 PolarHBondContact O-N 3.35Å; E158-T160 PolarHBondContact O-OG1 2.71Å; T160-E162 PolarHBondContact O-N 2.75Å
161	L	38.6	Very low	53.5	Low	146 Å²	146	93.2 Å²	93.2	76%	0.764	52%	0.518	S	S	*	.			trans	-56.1	77	140.8	-78.6	152.3	0	0	0	104.3	I159 F163	I159-L161 PolarHBondContact O-N 3.35Å; I159-L161 VanDerWaalsContact O-N 3.07Å; L161-F163 PolarHBondContact O-N 2.95Å; L161-F163 VanDerWaalsContact O-N 3.07Å
162	E	43.7	Very low	55.8	Low	149 Å²	149	88.8 Å²	88.8	70%	0.696	51%	0.506	S	S	*	.			trans	-50.5	121.8	160.4	-86.7	-175.2	146.6	0	0	102.9	T160 D164	T160-E162 PolarHBondContact O-N 2.75Å; E162-D164 PolarHBondContact O-N 2.78Å
163	F	57.1	Low	58.2	Low	145 Å²	145	89.3 Å²	89.3	64%	0.636	49%	0.493	S	S	*	.			trans	-63	71.4	176.6	-69.5	-94.1	0	0	0	107.9	L161 D186	L161-F163 PolarHBondContact O-N 2.95Å; L161-F163 VanDerWaalsContact O-N 3.07Å; F163-D186 HydrophobicContact CB-CB 4.49Å; F163-D186 WeakPolarHBondContact CB-OD2 3.4Å; F163-D186 WeakPolarHBondContact CD1-OD2 3.2Å; F163-D186 WeakPolarHBondContact CG-OD2 3.34Å
164	D	83.9	Confident	60.5	Low	53 Å²	53	88.4 Å²	88.4	28%	0.283	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-74.8	137.3	-174.2	73.2	-24.9	0	0	0	108.1	E162 R269 R279	E162-D164 PolarHBondContact O-N 2.78Å; D164-R269 IonicContact OD1-NH2 3.77Å; D164-R269 IonicContact OD2-CZ 3.2Å; D164-R269 IonicContact OD2-NE 3.74Å; D164-R269 PolarHBondContact OD2-NE 3.45Å; D164-R269 IonicContact OD2-NH2 2.76Å; D164-R269 PolarHBondContact OD2-NH2 2.88Å; D164-R279 PolarHBondContact O-NH1 2.77Å; D164-R279 PolarHBondContact O-NH2 3.03Å; D164-R279 IonicContact OD1-CZ 2.72Å; D164-R279 IonicContact OD1-NH1 2.91Å; D164-R279 IonicContact OD1-NH2 2.82Å; D164-R279 PolarHBondContact OD1-NH2 2.92Å; D164-R279 IonicContact OD2-NH2 3.24Å
165	T	93.8	Very high	63.3	Low	4 Å²	4	86.2 Å²	86.2	3%	0.025	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-88.5	121.4	174.3	-62.7	0	0	0	0	108.1	L183 S184 H187 A188 I191 A268 R269	T165-L183 HydrophobicContact CG2-CB 4.31Å; T165-L183 HydrophobicContact CG2-CD2 4.47Å; T165-S184 CarbonylContact C-O 3.33Å; T165-S184 WeakPolarHBondContact CA-O 3.18Å; T165-H187 WeakPolarHBondContact OG1-CB 3.31Å; T165-H187 PolarHBondContact OG1-N 2.62Å; T165-A188 HydrophobicContact CG2-CB 3.89Å; T165-I191 HydrophobicContact CG2-CD1 3.84Å; T165-A268 CarbonylContact O-C 3.01Å; T165-A268 WeakPolarHBondContact O-CA 3.23Å; T165-R269 PolarHBondContact O-N 3.3Å
166	I	94.9	Very high	66.1	Low	0 Å²	0	79.8 Å²	79.8	0%	0	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	149.8	176.3	52.3	166.5	0	0	0	111.6	L183 S184 R269 A271 E275 F276	I166-L183 CarbonylContact O-C 3.47Å; I166-L183 WeakPolarHBondContact O-CA 3.3Å; I166-S184 WeakPolarHBondContact CG1-O 3.19Å; I166-S184 PolarHBondContact N-O 3.41Å; I166-S184 PolarHBondContact O-N 3.32Å; I166-R269 CarbonylContact C-O 3.57Å; I166-R269 VanDerWaalsContact CA-O 3.26Å; I166-R269 WeakPolarHBondContact CA-O 3.47Å; I166-A271 HydrophobicContact CB-CB 3.99Å; I166-A271 HydrophobicContact CD1-CB 4.01Å; I166-A271 HydrophobicContact CG2-CB 4.49Å; I166-E275 HydrophobicContact CD1-CB 4.23Å; I166-E275 HydrophobicContact CD1-CG 4.01Å; I166-E275 WeakPolarHBondContact CG2-OE1 3.31Å; I166-F276 HydrophobicContact CD1-CD1 3.97Å; I166-F276 HydrophobicContact CD1-CD2 4.32Å; I166-F276 HydrophobicContact CD1-CE1 3.9Å; I166-F276 HydrophobicContact CD1-CE2 4.23Å; I166-F276 HydrophobicContact CD1-CG 4.19Å; I166-F276 HydrophobicContact CD1-CZ 4.03Å; I166-F276 HydrophobicContact CG1-CE1 4.09Å; I166-F276 HydrophobicContact CG1-CZ 4.21Å
167	A	96.4	Very high	69.1	Low	0 Å²	0	77.7 Å²	77.7	0%	0	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	142.6	173.3	0	0	0	0	0	111.4	R182 L183 L260 I263 L264 A268 R269 L270 A271	A167-R182 CarbonylContact C-O 3.58Å; A167-R182 WeakPolarHBondContact CA-O 3.49Å; A167-L183 HydrophobicContact CB-CG 4.13Å; A167-L260 HydrophobicContact CB-CD1 4.2Å; A167-I263 HydrophobicContact CB-CG2 3.59Å; A167-L264 HydrophobicContact CB-CD2 4.47Å; A167-A268 HydrophobicContact CB-CB 3.86Å; A167-R269 PolarHBondContact N-O 3.11Å; A167-L270 WeakPolarHBondContact O-CA 3.46Å; A167-A271 PolarHBondContact O-N 3.45Å
168	A	94.5	Very high	72.2	Confident	17 Å²	17	79.5 Å²	79.5	14%	0.14	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	161	167.9	0	0	0	0	0	112.1	S170 R182 A271 F276	A168-S170 PolarHBondContact O-N 3.07Å; A168-R182 PolarHBondContact N-O 3.18Å; A168-R182 PolarHBondContact O-N 3.36Å; A168-A271 HydrophobicContact CB-CB 3.91Å; A168-F276 HydrophobicContact CB-CE2 3.84Å; A168-F276 HydrophobicContact CB-CZ 4.44Å
169	I	93	Very high	75.4	Confident	59 Å²	59	72.5 Å²	72.5	30%	0.303	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	119.4	167.7	-57.7	163.5	0	0	0	107.6	I180 V181 V256 L260	I169-I180 CarbonylContact C-O 3.52Å; I169-I180 WeakPolarHBondContact CA-O 3.42Å; I169-V181 HydrophobicContact CG1-CG2 4.38Å; I169-V256 HydrophobicContact CB-CG1 4.44Å; I169-V256 HydrophobicContact CD1-CG1 3.56Å; I169-V256 HydrophobicContact CG1-CG1 3.59Å; I169-V256 HydrophobicContact CG2-CG1 3.98Å; I169-L260 HydrophobicContact CD1-CD2 4.05Å; I169-L260 HydrophobicContact CG1-CD2 4.07Å
170	S	89.3	Confident	78.5	Confident	46 Å²	46	68.7 Å²	68.7	32%	0.322	40%	0.402	S	S	.	.			trans	-100.1	12.7	-177.5	-66.7	0	0	0	0	113.3	A168 I180 R182	A168-S170 PolarHBondContact O-N 3.07Å; S170-I180 PolarHBondContact N-O 2.71Å; S170-R182 WeakPolarHBondContact OG-CB 3.26Å
171	T	85.5	Confident	81.7	Confident	33 Å²	33	64.7 Å²	64.7	20%	0.202	38%	0.378	C	S	.	.	S	Bend	trans	-115.3	157.6	170.6	54.4	0	0	0	0	110.6	S179 I180	T171-S179 PolarHBondContact OG1-OG 3.34Å; T171-I180 HydrophobicContact CG2-CB 3.97Å; T171-I180 HydrophobicContact CG2-CD1 4.36Å; T171-I180 HydrophobicContact CG2-CG1 3.84Å
172	P	74.8	Confident	84.5	Confident	95 Å²	95	60.8 Å²	60.8	62%	0.617	35%	0.353	S	S	*	.			trans	-53.9	146.4	173.9	-24.7	34.1	0	0	0	112.2
173	P	73	Confident	87.1	Confident	100 Å²	100	53.7 Å²	53.7	65%	0.649	32%	0.32	S	S	*	.	S	Bend	trans	-66.3	139.5	172.9	28.7	-33.6	0	0	0	110.4
174	G	73.9	Confident	89	Confident	46 Å²	46	46.8 Å²	46.8	47%	0.474	29%	0.289	S	S	.	.	S	Bend	trans	138.2	-177.5	-179.8	0	0	0	0	0	112.4
175	E	81.4	Confident	89.4	Confident	178 Å²	178	44.2 Å²	44.2	83%	0.832	28%	0.276	S	S	*	.			trans	-82.7	125.9	172.4	-65.8	-179.7	-178.5	0	0	109.7	I253	E175-I253 HydrophobicContact CG-CD1 4.16Å; E175-I253 HydrophobicContact CG-CG1 4.32Å
176	G	81	Confident	89.3	Confident	43 Å²	43	48 Å²	48	44%	0.443	30%	0.296	S	S	.	.			trans	-141.5	166.2	177	0	0	0	0	0	111.8	I178 G251	G176-I178 VanDerWaalsContact C-N 3.35Å; G176-G251 PolarHBondContact N-O 3.22Å; G176-G251 CarbonylContact O-C 3.56Å; G176-G251 WeakPolarHBondContact O-CA 3.33Å; G176-G251 PolarHBondContact O-N 3.11Å
177	A	86.5	Confident	89.2	Confident	90 Å²	90	53.1 Å²	53.1	74%	0.744	32%	0.32	S	S	*	.	S	Bend	trans	-66.2	-40.7	175	0	0	0	0	0	111.6	G251	A177-G251 PolarHBondContact O-N 3.09Å
178	I	91	Very high	89.2	Confident	112 Å²	112	53.1 Å²	53.1	57%	0.574	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.7	-177.6	-59.9	173.9	0	0	0	108.5	G176 N248 C249	G176-I178 VanDerWaalsContact C-N 3.35Å; I178-N248 HydrophobicContact CG2-CB 4.31Å; I178-C249 WeakPolarHBondContact CA-O 3.35Å
179	S	92.2	Very high	89.3	Confident	5 Å²	5	52.5 Å²	52.5	4%	0.035	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	150.9	166.7	-176.7	0	0	0	0	110.5	T171 N248 C249 V256	T171-S179 PolarHBondContact OG1-OG 3.34Å; S179-N248 WeakPolarHBondContact O-CA 3.49Å; S179-C249 PolarHBondContact N-O 3.37Å; S179-C249 PolarHBondContact O-N 2.99Å; S179-C249 PolarHBondContact O-SG 3.25Å; S179-C249 VanDerWaalsContact O-SG 3.33Å; S179-V256 WeakPolarHBondContact OG-CG1 3.38Å; S179-V256 WeakPolarHBondContact OG-CG2 3.36Å
180	I	95	Very high	89.3	Confident	37 Å²	37	51.8 Å²	51.8	19%	0.19	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	122.4	-178.1	-54.6	-178.7	0	0	0	108	I169 S170 T171 E246 I247 N248	I169-I180 CarbonylContact C-O 3.52Å; I169-I180 WeakPolarHBondContact CA-O 3.42Å; S170-I180 PolarHBondContact N-O 2.71Å; T171-I180 HydrophobicContact CG2-CB 3.97Å; T171-I180 HydrophobicContact CG2-CD1 4.36Å; T171-I180 HydrophobicContact CG2-CG1 3.84Å; I180-E246 HydrophobicContact CG2-CB 3.89Å; I180-E246 HydrophobicContact CG2-CG 4.2Å; I180-I247 WeakPolarHBondContact CA-O 3.31Å; I180-N248 WeakPolarHBondContact CG1-OD1 3.41Å
181	V	96	Very high	89.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117.4	163.7	-174.8	0	0	0	0	107.9	I169 I247 V256 L259 L260 I263	I169-V181 HydrophobicContact CG1-CG2 4.38Å; V181-I247 PolarHBondContact N-O 2.86Å; V181-I247 PolarHBondContact O-N 2.67Å; V181-V256 HydrophobicContact CG2-CG1 4.17Å; V181-L259 HydrophobicContact CB-CD2 4.08Å; V181-L259 HydrophobicContact CB-CG 4.48Å; V181-L259 HydrophobicContact CG2-CD2 3.67Å; V181-L259 HydrophobicContact CG2-CG 4.09Å; V181-L260 HydrophobicContact CG1-CD1 3.96Å; V181-I263 HydrophobicContact CB-CD1 4.12Å; V181-I263 HydrophobicContact CG1-CD1 3.47Å; V181-I263 VanDerWaalsContact CG1-CD1 3.47Å
182	R	97.7	Very high	90	Very high	64 Å²	64	48.6 Å²	48.6	24%	0.242	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	136	-177.2	-176.3	179	-74.6	161.1	-0.8	109.8	A167 A168 S170 I244 V245 E246 F276	A167-R182 CarbonylContact C-O 3.58Å; A167-R182 WeakPolarHBondContact CA-O 3.49Å; A168-R182 PolarHBondContact N-O 3.18Å; A168-R182 PolarHBondContact O-N 3.36Å; S170-R182 WeakPolarHBondContact OG-CB 3.26Å; R182-I244 HydrophobicContact CG-CG2 3.91Å; R182-V245 CarbonylContact C-O 3.51Å; R182-V245 WeakPolarHBondContact CA-O 3.48Å; R182-E246 HydrophobicContact CB-CG 4.4Å; R182-E246 HydrophobicContact CG-CG 4.08Å; R182-E246 IonicContact CZ-OE1 4Å; R182-E246 IonicContact NE-OE1 3.97Å; R182-E246 PolarHBondContact NE-OE1 2.95Å; R182-E246 IonicContact NH2-OE1 3.02Å; R182-E246 PolarHBondContact NH2-OE1 3.22Å; R182-F276 HydrophobicContact CB-CE1 4.38Å; R182-F276 HydrophobicContact CB-CZ 4.27Å; R182-F276 HydrophobicContact CG-CD1 4.4Å; R182-F276 HydrophobicContact CG-CE1 3.8Å; R182-F276 HydrophobicContact CG-CZ 4.2Å
183	L	97.6	Very high	91	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	146.3	169.7	-61.3	82.3	0	0	0	110	T165 I166 A167 A188 I191 I244 V245 I247 I263	T165-L183 HydrophobicContact CG2-CB 4.31Å; T165-L183 HydrophobicContact CG2-CD2 4.47Å; I166-L183 CarbonylContact O-C 3.47Å; I166-L183 WeakPolarHBondContact O-CA 3.3Å; A167-L183 HydrophobicContact CB-CG 4.13Å; L183-A188 HydrophobicContact CB-CB 3.95Å; L183-I191 HydrophobicContact CD2-CB 4.09Å; L183-I191 HydrophobicContact CD2-CG2 3.7Å; L183-I244 VanDerWaalsContact O-CA 3.27Å; L183-I244 WeakPolarHBondContact O-CA 3.46Å; L183-I244 WeakPolarHBondContact O-CG2 3.1Å; L183-V245 HydrophobicContact CB-CB 4.41Å; L183-V245 HydrophobicContact CD1-CB 4.35Å; L183-V245 PolarHBondContact N-O 2.85Å; L183-V245 PolarHBondContact O-N 3.41Å; L183-V245 VanDerWaalsContact O-N 3.1Å; L183-I247 HydrophobicContact CD1-CD1 4.3Å; L183-I247 HydrophobicContact CD1-CG1 4.38Å; L183-I263 HydrophobicContact CD1-CD1 4.02Å; L183-I263 HydrophobicContact CD1-CG2 4.26Å; L183-I263 HydrophobicContact CD2-CG2 3.57Å; L183-I263 HydrophobicContact CG-CG2 3.86Å
184	S	96.8	Very high	91.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	131.2	171.8	-171.7	0	0	0	0	110.8	T165 I166 T240 E242 D243	T165-S184 CarbonylContact C-O 3.33Å; T165-S184 WeakPolarHBondContact CA-O 3.18Å; I166-S184 WeakPolarHBondContact CG1-O 3.19Å; I166-S184 PolarHBondContact N-O 3.41Å; I166-S184 PolarHBondContact O-N 3.32Å; S184-T240 WeakPolarHBondContact OG-CB 3.49Å; S184-T240 VanDerWaalsContact OG-CG2 3.31Å; S184-T240 WeakPolarHBondContact OG-CG2 3.42Å; S184-T240 PolarHBondContact OG-OG1 2.94Å; S184-E242 PolarHBondContact OG-OE2 3.43Å; S184-D243 WeakPolarHBondContact CA-O 3.41Å
185	G	94.1	Very high	92.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	142	171.4	178.6	0	0	0	0	0	112.1	H187 A188 D243	G185-H187 PolarHBondContact O-N 2.79Å; G185-H187 VanDerWaalsContact O-N 3.12Å; G185-A188 WeakPolarHBondContact O-CB 3.33Å; G185-A188 PolarHBondContact O-N 2.6Å; G185-D243 PolarHBondContact N-O 3.49Å
186	D	90.8	Very high	93.5	Very high	82 Å²	82	33.2 Å²	33.2	44%	0.439	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.1	-172.5	-67	-11.2	0	0	0	113.9	F163	F163-D186 HydrophobicContact CB-CB 4.49Å; F163-D186 WeakPolarHBondContact CB-OD2 3.4Å; F163-D186 WeakPolarHBondContact CD1-OD2 3.2Å; F163-D186 WeakPolarHBondContact CG-OD2 3.34Å
187	H	93.5	Very high	93.9	Very high	109 Å²	109	35 Å²	35	51%	0.505	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	6.9	178.6	-58.3	-57.4	0	0	0	113.5	T165 G185 V189 A190 I191	T165-H187 WeakPolarHBondContact OG1-CB 3.31Å; T165-H187 PolarHBondContact OG1-N 2.62Å; G185-H187 PolarHBondContact O-N 2.79Å; G185-H187 VanDerWaalsContact O-N 3.12Å; H187-V189 VanDerWaalsContact C-N 3.33Å; H187-V189 PolarHBondContact O-N 2.72Å; H187-A190 PolarHBondContact O-N 3.25Å; H187-A190 VanDerWaalsContact O-N 3.12Å; H187-I191 HydrophobicContact CB-CD1 3.95Å; H187-I191 HydrophobicContact CB-CG1 4.25Å; H187-I191 WeakPolarHBondContact O-CB 3.17Å; H187-I191 VanDerWaalsContact O-CG1 3.3Å; H187-I191 WeakPolarHBondContact O-CG1 3.36Å; H187-I191 PolarHBondContact O-N 2.85Å
188	A	95.7	Very high	94.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-54.9	-45.3	-177.2	0	0	0	0	0	113.2	T165 L183 G185 A192 D243 V245	T165-A188 HydrophobicContact CG2-CB 3.89Å; L183-A188 HydrophobicContact CB-CB 3.95Å; G185-A188 WeakPolarHBondContact O-CB 3.33Å; G185-A188 PolarHBondContact O-N 2.6Å; A188-A192 WeakPolarHBondContact O-CB 3.34Å; A188-A192 PolarHBondContact O-N 3.33Å; A188-D243 HydrophobicContact CB-CB 4.37Å; A188-D243 VanDerWaalsContact CB-O 3.31Å; A188-D243 WeakPolarHBondContact CB-O 3.42Å; A188-V245 HydrophobicContact CB-CG2 4.32Å
189	V	95.7	Very high	93.8	Very high	3 Å²	3	31 Å²	31	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-69.5	-40.6	178.8	-170.7	0	0	0	0	111.4	H187 A192 D193 L203 L204 V232 D243 V245	H187-V189 VanDerWaalsContact C-N 3.33Å; H187-V189 PolarHBondContact O-N 2.72Å; V189-A192 PolarHBondContact O-N 3.2Å; V189-D193 VanDerWaalsContact O-CB 3.26Å; V189-D193 WeakPolarHBondContact O-CB 3.27Å; V189-D193 PolarHBondContact O-N 2.94Å; V189-L203 HydrophobicContact CG1-CB 4.15Å; V189-L203 WeakPolarHBondContact CG1-O 3.24Å; V189-L204 HydrophobicContact CB-CD2 4.34Å; V189-L204 HydrophobicContact CG1-CD2 4Å; V189-V232 HydrophobicContact CG1-CG1 4.22Å; V189-V232 HydrophobicContact CG2-CG1 4.02Å; V189-D243 HydrophobicContact CG2-CB 4.08Å; V189-D243 WeakPolarHBondContact CG2-OD2 3.35Å; V189-V245 HydrophobicContact CB-CG2 4.38Å; V189-V245 HydrophobicContact CG2-CG2 3.95Å
190	A	94.3	Very high	93.3	Very high	44 Å²	44	41.2 Å²	41.2	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-66.2	-42.5	179.5	0	0	0	0	0	112.2	H187 D193 S194 L204	H187-A190 PolarHBondContact O-N 3.25Å; H187-A190 VanDerWaalsContact O-N 3.12Å; A190-D193 PolarHBondContact O-N 2.8Å; A190-S194 PolarHBondContact O-N 3.15Å; A190-L204 HydrophobicContact CB-CD2 4.24Å
191	I	94.7	Very high	92.9	Very high	13 Å²	13	43.8 Å²	43.8	7%	0.067	24%	0.24	C	C	.	.	H	α-helix	trans	-63.3	-48.3	176.6	-69.5	167.2	0	0	0	109.9	T165 L183 H187 D193 S194 I263 A268	T165-I191 HydrophobicContact CG2-CD1 3.84Å; L183-I191 HydrophobicContact CD2-CB 4.09Å; L183-I191 HydrophobicContact CD2-CG2 3.7Å; H187-I191 HydrophobicContact CB-CD1 3.95Å; H187-I191 HydrophobicContact CB-CG1 4.25Å; H187-I191 WeakPolarHBondContact O-CB 3.17Å; H187-I191 VanDerWaalsContact O-CG1 3.3Å; H187-I191 WeakPolarHBondContact O-CG1 3.36Å; H187-I191 PolarHBondContact O-N 2.85Å; I191-D193 VanDerWaalsContact C-N 3.34Å; I191-D193 PolarHBondContact O-N 2.77Å; I191-S194 PolarHBondContact O-N 3Å; I191-S194 PolarHBondContact O-OG 3.39Å; I191-I263 HydrophobicContact CG2-CG2 4.21Å; I191-A268 HydrophobicContact CD1-CB 4.3Å
192	A	94.9	Very high	92.7	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-38	177.6	0	0	0	0	0	112.7	A188 V189 S194 V195 Y196 L203 V245	A188-A192 WeakPolarHBondContact O-CB 3.34Å; A188-A192 PolarHBondContact O-N 3.33Å; V189-A192 PolarHBondContact O-N 3.2Å; A192-S194 VanDerWaalsContact C-N 3.3Å; A192-S194 PolarHBondContact O-N 3.49Å; A192-V195 VanDerWaalsContact O-CG2 3.29Å; A192-V195 WeakPolarHBondContact O-CG2 3.38Å; A192-V195 PolarHBondContact O-N 3.01Å; A192-Y196 WeakPolarHBondContact O-CB 3.4Å; A192-Y196 PolarHBondContact O-N 3.43Å; A192-Y196 VanDerWaalsContact O-N 3.08Å; A192-L203 HydrophobicContact CB-CD1 4.01Å; A192-V245 HydrophobicContact CB-CB 4.09Å; A192-V245 HydrophobicContact CB-CG1 3.61Å; A192-V245 HydrophobicContact CB-CG2 4.07Å
193	D	94.8	Very high	92.5	Very high	33 Å²	33	42 Å²	42	18%	0.176	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-37.2	177	-166.6	53.4	0	0	0	112.1	V189 A190 I191 V195 Y196 S202 L203 L204	V189-D193 VanDerWaalsContact O-CB 3.26Å; V189-D193 WeakPolarHBondContact O-CB 3.27Å; V189-D193 PolarHBondContact O-N 2.94Å; A190-D193 PolarHBondContact O-N 2.8Å; I191-D193 VanDerWaalsContact C-N 3.34Å; I191-D193 PolarHBondContact O-N 2.77Å; D193-V195 PolarHBondContact O-N 2.95Å; D193-Y196 PolarHBondContact O-N 3.34Å; D193-S202 VanDerWaalsContact OD1-CA 3.25Å; D193-S202 WeakPolarHBondContact OD1-CA 3.46Å; D193-S202 PolarHBondContact OD1-OG 3.07Å; D193-S202 PolarHBondContact OD2-OG 2.93Å; D193-L203 HydrophobicContact CB-CB 4.08Å; D193-L203 PolarHBondContact OD1-N 3.13Å; D193-L204 HydrophobicContact CB-CG 4.21Å
194	S	92.7	Very high	92.3	Very high	57 Å²	57	45.8 Å²	45.8	40%	0.399	26%	0.258	S	S	.	.	H	α-helix	trans	-62.7	-24.8	-178.5	74.8	0	0	0	0	114.3	A190 I191 A192	A190-S194 PolarHBondContact O-N 3.15Å; I191-S194 PolarHBondContact O-N 3Å; I191-S194 PolarHBondContact O-OG 3.39Å; A192-S194 VanDerWaalsContact C-N 3.3Å; A192-S194 PolarHBondContact O-N 3.49Å
195	V	92.9	Very high	92.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-108.5	-14.1	-178.8	-60.8	0	0	0	0	112.6	A192 D193 I216 I217 L262 S266	A192-V195 VanDerWaalsContact O-CG2 3.29Å; A192-V195 WeakPolarHBondContact O-CG2 3.38Å; A192-V195 PolarHBondContact O-N 3.01Å; D193-V195 PolarHBondContact O-N 2.95Å; V195-I216 HydrophobicContact CB-CG2 4.24Å; V195-I216 HydrophobicContact CG2-CD1 4.13Å; V195-I216 HydrophobicContact CG2-CG2 4.42Å; V195-I216 WeakPolarHBondContact O-CA 3.31Å; V195-I217 PolarHBondContact O-N 3.49Å; V195-L262 HydrophobicContact CB-CD2 4.01Å; V195-L262 HydrophobicContact CB-CG 4.41Å; V195-L262 HydrophobicContact CG1-CD1 4.18Å; V195-L262 HydrophobicContact CG1-CD2 3.88Å; V195-L262 HydrophobicContact CG1-CG 3.75Å; V195-S266 WeakPolarHBondContact CG1-OG 3.38Å
196	Y	94.8	Very high	92	Very high	6 Å²	6	53.1 Å²	53.1	2%	0.024	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.5	-176.4	171.3	-93	0	0	0	112.2	A192 D193 S198 L203 H212 Y213 V228 V230	A192-Y196 WeakPolarHBondContact O-CB 3.4Å; A192-Y196 PolarHBondContact O-N 3.43Å; A192-Y196 VanDerWaalsContact O-N 3.08Å; D193-Y196 PolarHBondContact O-N 3.34Å; Y196-S198 WeakPolarHBondContact OH-CB 3.06Å; Y196-L203 HydrophobicContact CD1-CD1 3.81Å; Y196-L203 HydrophobicContact CD1-CD2 3.7Å; Y196-L203 HydrophobicContact CD1-CG 3.46Å; Y196-L203 VanDerWaalsContact CD1-CG 3.46Å; Y196-L203 HydrophobicContact CD2-CD1 4.39Å; Y196-L203 HydrophobicContact CE1-CD1 4.5Å; Y196-L203 HydrophobicContact CE1-CD2 3.55Å; Y196-L203 HydrophobicContact CE1-CG 3.85Å; Y196-L203 HydrophobicContact CE2-CD2 4.46Å; Y196-L203 HydrophobicContact CG-CD1 3.71Å; Y196-L203 HydrophobicContact CG-CD2 4.19Å; Y196-L203 HydrophobicContact CG-CG 3.92Å; Y196-H212 WeakPolarHBondContact OH-CB 3.21Å; Y196-Y213 VanDerWaalsContact OH-C 3.28Å; Y196-Y213 PolarHBondContact OH-O 3Å; Y196-V228 HydrophobicContact CD2-CG2 4.47Å; Y196-V230 HydrophobicContact CD2-CB 4.34Å; Y196-V230 HydrophobicContact CD2-CG2 3.48Å; Y196-V230 VanDerWaalsContact CD2-CG2 3.48Å; Y196-V230 HydrophobicContact CE2-CB 4.31Å; Y196-V230 HydrophobicContact CE2-CG2 3.75Å; Y196-V230 HydrophobicContact CG-CG2 4.39Å
197	H	90.7	Very high	92.1	Very high	79 Å²	79	53.5 Å²	53.5	37%	0.366	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	123.3	178.8	-72.6	78.9	0	0	0	112	G214 H215 I217	H197-G214 WeakPolarHBondContact O-CA 3.37Å; H197-H215 PolarHBondContact N-O 3.32Å; H197-H215 PolarHBondContact O-N 2.85Å; H197-I217 HydrophobicContact CB-CD1 3.64Å; H197-I217 HydrophobicContact CB-CG1 4.15Å
198	S	89.9	Confident	92.2	Very high	38 Å²	38	50.3 Å²	50.3	27%	0.266	29%	0.294	S	S	.	.	S	Bend	trans	-146.4	69.9	173.4	-165.4	0	0	0	0	110.7	Y196 K200 K201 Y213	Y196-S198 WeakPolarHBondContact OH-CB 3.06Å; S198-K200 PolarHBondContact O-N 3.29Å; S198-K201 WeakPolarHBondContact O-CB 3.27Å; S198-K201 PolarHBondContact O-N 2.81Å; S198-Y213 WeakPolarHBondContact CB-O 3.16Å; S198-Y213 PolarHBondContact OG-O 3.28Å
199	G	84.7	Confident	92.2	Very high	81 Å²	81	55.5 Å²	55.5	84%	0.835	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	-122.3	-175.3	0	0	0	0	0	112
200	K	81.3	Confident	92.2	Very high	220 Å²	220	57 Å²	57	96%	0.957	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	6.3	178.8	-65.7	-172.3	178.4	-175.9	0	113.8	S198	S198-K200 PolarHBondContact O-N 3.29Å
201	K	87.7	Confident	92.3	Very high	90 Å²	90	59.7 Å²	59.7	39%	0.391	34%	0.335	S	S	.	.			trans	-87.7	118.5	-173	-173.6	-179.3	177.2	-176.3	0	110.2	S198 H212	S198-K201 WeakPolarHBondContact O-CB 3.27Å; S198-K201 PolarHBondContact O-N 2.81Å; K201-H212 PolarHBondContact NZ-CE1 2.95Å; K201-H212 PolarHBondContact NZ-ND1 2.99Å
202	S	91.9	Very high	92.3	Very high	26 Å²	26	59.9 Å²	59.9	18%	0.182	34%	0.335	C	S	.	.			trans	-90.3	141.4	167.7	170.7	0	0	0	0	109.9	D193 L204 D205 V206	D193-S202 VanDerWaalsContact OD1-CA 3.25Å; D193-S202 WeakPolarHBondContact OD1-CA 3.46Å; D193-S202 PolarHBondContact OD1-OG 3.07Å; D193-S202 PolarHBondContact OD2-OG 2.93Å; S202-L204 PolarHBondContact O-N 2.83Å; S202-L204 WeakPolarHBondContact OG-CB 3.4Å; S202-L204 PolarHBondContact OG-N 2.93Å; S202-D205 PolarHBondContact O-N 2.81Å; S202-V206 WeakPolarHBondContact O-CG1 3.13Å
203	L	92.9	Very high	92.4	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-66.1	-20.9	169.4	-61.9	179.5	0	0	0	112.3	V189 A192 D193 Y196 D205 V206 H212 V230 V232	V189-L203 HydrophobicContact CG1-CB 4.15Å; V189-L203 WeakPolarHBondContact CG1-O 3.24Å; A192-L203 HydrophobicContact CB-CD1 4.01Å; D193-L203 HydrophobicContact CB-CB 4.08Å; D193-L203 PolarHBondContact OD1-N 3.13Å; Y196-L203 HydrophobicContact CD1-CD1 3.81Å; Y196-L203 HydrophobicContact CD1-CD2 3.7Å; Y196-L203 HydrophobicContact CD1-CG 3.46Å; Y196-L203 VanDerWaalsContact CD1-CG 3.46Å; Y196-L203 HydrophobicContact CD2-CD1 4.39Å; Y196-L203 HydrophobicContact CE1-CD1 4.5Å; Y196-L203 HydrophobicContact CE1-CD2 3.55Å; Y196-L203 HydrophobicContact CE1-CG 3.85Å; Y196-L203 HydrophobicContact CE2-CD2 4.46Å; Y196-L203 HydrophobicContact CG-CD1 3.71Å; Y196-L203 HydrophobicContact CG-CD2 4.19Å; Y196-L203 HydrophobicContact CG-CG 3.92Å; L203-D205 VanDerWaalsContact C-N 3.28Å; L203-D205 PolarHBondContact O-N 3.36Å; L203-V206 WeakPolarHBondContact O-CG2 3.49Å; L203-V206 PolarHBondContact O-N 3.06Å; L203-H212 HydrophobicContact CD2-CB 4.23Å; L203-V230 HydrophobicContact CD1-CB 4.45Å; L203-V230 HydrophobicContact CD1-CG1 3.8Å; L203-V230 HydrophobicContact CD2-CB 4.44Å; L203-V230 HydrophobicContact CD2-CG1 4.32Å; L203-V232 HydrophobicContact CB-CG2 4.39Å; L203-V232 HydrophobicContact CD2-CG2 4.05Å
204	L	92.7	Very high	92.4	Very high	81 Å²	81	63.9 Å²	63.9	42%	0.424	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-66.1	-32.6	176.7	-66.7	168.6	0	0	0	111.9	V189 A190 D193 S202 V206 R234	V189-L204 HydrophobicContact CB-CD2 4.34Å; V189-L204 HydrophobicContact CG1-CD2 4Å; A190-L204 HydrophobicContact CB-CD2 4.24Å; D193-L204 HydrophobicContact CB-CG 4.21Å; S202-L204 PolarHBondContact O-N 2.83Å; S202-L204 WeakPolarHBondContact OG-CB 3.4Å; S202-L204 PolarHBondContact OG-N 2.93Å; L204-V206 VanDerWaalsContact C-N 3.33Å; L204-V206 PolarHBondContact O-N 3.29Å; L204-R234 PolarHBondContact O-NH2 3.22Å
205	D	92.7	Very high	92.5	Very high	142 Å²	142	64.1 Å²	64.1	76%	0.759	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-88.4	-1.6	-175.9	-62.2	-40.1	0	0	0	113.5	S202 L203	S202-D205 PolarHBondContact O-N 2.81Å; L203-D205 VanDerWaalsContact C-N 3.28Å; L203-D205 PolarHBondContact O-N 3.36Å
206	V	92.5	Very high	92.6	Very high	12 Å²	12	64.1 Å²	64.1	7%	0.073	34%	0.343	C	S	.	.	S	Bend	trans	-86.8	148.5	-172.1	-53.3	0	0	0	0	112.9	S202 L203 L204 H212 V232	S202-V206 WeakPolarHBondContact O-CG1 3.13Å; L203-V206 WeakPolarHBondContact O-CG2 3.49Å; L203-V206 PolarHBondContact O-N 3.06Å; L204-V206 VanDerWaalsContact C-N 3.33Å; L204-V206 PolarHBondContact O-N 3.29Å; V206-H212 WeakPolarHBondContact CB-NE2 3.5Å; V206-H212 WeakPolarHBondContact CG1-NE2 3.44Å; V206-H212 WeakPolarHBondContact CG2-NE2 3.12Å; V206-V232 HydrophobicContact CG2-CB 3.88Å; V206-V232 HydrophobicContact CG2-CG1 3.95Å; V206-V232 HydrophobicContact CG2-CG2 3.87Å
207	P	93.2	Very high	92.4	Very high	89 Å²	89	65.1 Å²	65.1	58%	0.578	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-63.5	148.9	173.8	-19.1	31.5	0	0	0	112.1	T210	P207-T210 HydrophobicContact CB-CG2 3.94Å; P207-T210 HydrophobicContact CG-CG2 4.44Å; P207-T210 WeakPolarHBondContact O-CG2 3.26Å; P207-T210 PolarHBondContact O-OG1 2.79Å
208	S	95.2	Very high	92.3	Very high	42 Å²	42	62.7 Å²	62.7	29%	0.294	34%	0.338	S	S	.	.	S	Bend	trans	-61.3	149.8	171.4	-174.1	0	0	0	0	111.6	V232 R234	S208-V232 CarbonylContact C-O 3.57Å; S208-R234 PolarHBondContact OG-N 3.44Å
209	H	95.6	Very high	91.9	Very high	109 Å²	109	63.7 Å²	63.7	51%	0.505	34%	0.344	S	S	.	.	S	Bend	trans	61.1	45.3	-178.9	-59	61.9	0	0	0	113.4	V232 K237	H209-V232 WeakPolarHBondContact CA-O 3.24Å; H209-V232 PolarHBondContact N-O 3.32Å; H209-K237 PolarHBondContact CE1-O 3.37Å; H209-K237 PolarHBondContact NE2-O 2.85Å
210	T	95.8	Very high	91.8	Very high	36 Å²	36	67.1 Å²	67.1	22%	0.221	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	158.2	177.2	60.9	0	0	0	0	111.2	P207 H212 S231 V232	P207-T210 HydrophobicContact CB-CG2 3.94Å; P207-T210 HydrophobicContact CG-CG2 4.44Å; P207-T210 WeakPolarHBondContact O-CG2 3.26Å; P207-T210 PolarHBondContact O-OG1 2.79Å; T210-H212 PolarHBondContact OG1-CE1 2.95Å; T210-H212 PolarHBondContact OG1-NE2 3.3Å; T210-S231 CarbonylContact O-C 3.51Å; T210-S231 VanDerWaalsContact O-CA 3.31Å; T210-S231 WeakPolarHBondContact O-CA 3.41Å; T210-V232 PolarHBondContact N-O 3.48Å; T210-V232 PolarHBondContact O-N 2.99Å
211	I	96.1	Very high	91.8	Very high	100 Å²	100	63.1 Å²	63.1	51%	0.513	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.5	179.8	-50.3	179.8	0	0	0	109.1	M229 V230	I211-M229 HydrophobicContact CG2-CB 3.9Å; I211-M229 HydrophobicContact CG2-CE 3.61Å; I211-V230 CarbonylContact C-O 3.53Å; I211-V230 WeakPolarHBondContact CA-O 3.47Å
212	H	96	Very high	91.5	Very high	17 Å²	17	65.2 Å²	65.2	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	123.1	-172.7	-59.4	-35.4	0	0	0	112.7	Y196 K201 L203 V206 T210 M229 V230	Y196-H212 WeakPolarHBondContact OH-CB 3.21Å; K201-H212 PolarHBondContact NZ-CE1 2.95Å; K201-H212 PolarHBondContact NZ-ND1 2.99Å; L203-H212 HydrophobicContact CD2-CB 4.23Å; V206-H212 WeakPolarHBondContact CB-NE2 3.5Å; V206-H212 WeakPolarHBondContact CG1-NE2 3.44Å; V206-H212 WeakPolarHBondContact CG2-NE2 3.12Å; T210-H212 PolarHBondContact OG1-CE1 2.95Å; T210-H212 PolarHBondContact OG1-NE2 3.3Å; H212-M229 CarbonylContact O-C 3.6Å; H212-M229 WeakPolarHBondContact O-CA 3.44Å; H212-V230 PolarHBondContact N-O 3.3Å; H212-V230 PolarHBondContact O-N 3.13Å
213	Y	95.9	Very high	91.3	Very high	117 Å²	117	70.4 Å²	70.4	46%	0.459	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	134.7	174.2	168.9	-96.9	0	0	0	111.5	Y196 S198 E227	Y196-Y213 VanDerWaalsContact OH-C 3.28Å; Y196-Y213 PolarHBondContact OH-O 3Å; S198-Y213 WeakPolarHBondContact CB-O 3.16Å; S198-Y213 PolarHBondContact OG-O 3.28Å; Y213-E227 HydrophobicContact CE2-CG 3.59Å; Y213-E227 WeakPolarHBondContact CE2-OE1 3.34Å; Y213-E227 PolarHBondContact OH-OE1 3.32Å
214	G	94.5	Very high	91.1	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	-164.2	173.7	0	0	0	0	0	112.2	H197 V228	H197-G214 WeakPolarHBondContact O-CA 3.37Å; G214-V228 PolarHBondContact N-O 2.94Å; G214-V228 PolarHBondContact O-N 3.21Å; G214-V228 VanDerWaalsContact O-O 3.14Å
215	H	95.8	Very high	90.9	Very high	62 Å²	62	72.3 Å²	72.3	29%	0.287	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	142.2	-179.9	-60.6	77.5	0	0	0	109.5	H197 I217 V224 D226	H197-H215 PolarHBondContact N-O 3.32Å; H197-H215 PolarHBondContact O-N 2.85Å; H215-I217 HydrophobicContact CB-CG1 4.29Å; H215-V224 HydrophobicContact CB-CG1 4.17Å; H215-D226 WeakPolarHBondContact CA-O 3.2Å
216	I	94.4	Very high	91	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.6	164.7	-59.1	-60.6	0	0	0	107.9	V195 V225 D226 V228 I247 L259 L262	V195-I216 HydrophobicContact CB-CG2 4.24Å; V195-I216 HydrophobicContact CG2-CD1 4.13Å; V195-I216 HydrophobicContact CG2-CG2 4.42Å; V195-I216 WeakPolarHBondContact O-CA 3.31Å; I216-V225 HydrophobicContact CB-CB 4.4Å; I216-V225 HydrophobicContact CG2-CB 4.2Å; I216-V225 HydrophobicContact CG2-CG2 4.37Å; I216-V225 PolarHBondContact O-N 2.74Å; I216-D226 PolarHBondContact N-O 2.87Å; I216-V228 HydrophobicContact CD1-CG2 3.84Å; I216-V228 HydrophobicContact CG1-CB 4.29Å; I216-V228 HydrophobicContact CG1-CG1 3.7Å; I216-V228 HydrophobicContact CG1-CG2 3.61Å; I216-I247 HydrophobicContact CD1-CD1 4.04Å; I216-I247 HydrophobicContact CD1-CG2 4.16Å; I216-I247 HydrophobicContact CG1-CG2 4.16Å; I216-L259 HydrophobicContact CB-CD1 4.08Å; I216-L259 HydrophobicContact CD1-CD1 4.29Å; I216-L259 HydrophobicContact CG1-CD1 3.71Å; I216-L259 HydrophobicContact CG2-CD1 3.63Å; I216-L262 HydrophobicContact CG2-CD2 3.53Å
217	I	91.8	Very high	91	Very high	26 Å²	26	70.3 Å²	70.3	13%	0.133	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.5	-179.1	-55.3	-174.2	0	0	0	108	V195 H197 H215 P219 E223 V224	V195-I217 PolarHBondContact O-N 3.49Å; H197-I217 HydrophobicContact CB-CD1 3.64Å; H197-I217 HydrophobicContact CB-CG1 4.15Å; H215-I217 HydrophobicContact CB-CG1 4.29Å; I217-P219 WeakPolarHBondContact O-CD 3.32Å; I217-E223 WeakPolarHBondContact CA-O 3.43Å; I217-E223 WeakPolarHBondContact CG2-O 3.45Å; I217-V224 HydrophobicContact CD1-CG2 4.35Å; I217-V224 HydrophobicContact CG1-CG2 4.21Å
218	D	88.2	Confident	91.2	Very high	28 Å²	28	66.2 Å²	66.2	15%	0.15	33%	0.33	C	S	.	.			trans	-70	117.9	169.6	-169.8	-37	0	0	0	108.7	E220 E221 Q222 E223 V225 L262	D218-E220 PolarHBondContact O-N 2.83Å; D218-E220 PolarHBondContact OD1-N 3.3Å; D218-E221 HydrophobicContact CB-CB 4.46Å; D218-Q222 VanDerWaalsContact O-CA 3.23Å; D218-Q222 WeakPolarHBondContact O-CA 3.42Å; D218-Q222 PolarHBondContact O-N 2.86Å; D218-E223 PolarHBondContact N-O 3.49Å; D218-V225 HydrophobicContact CB-CG2 4.35Å; D218-L262 HydrophobicContact CB-CD1 4.36Å
219	P	80.7	Confident	91.3	Very high	60 Å²	60	68.9 Å²	68.9	39%	0.39	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.8	-177.1	26.1	-30.5	0	0	0	112.9	I217 Q222	I217-P219 WeakPolarHBondContact O-CD 3.32Å; P219-Q222 PolarHBondContact O-NE2 3.4Å
220	E	83.2	Confident	91.3	Very high	152 Å²	152	63.8 Å²	63.8	71%	0.71	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-51.5	179.3	-63.7	-171.5	158	0	0	111.8	D218	D218-E220 PolarHBondContact O-N 2.83Å; D218-E220 PolarHBondContact OD1-N 3.3Å
221	E	81.6	Confident	91.4	Very high	136 Å²	136	62.8 Å²	62.8	64%	0.636	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-14.8	-176.3	-61.7	-67.6	159.2	0	0	113	D218 E223	D218-E221 HydrophobicContact CB-CB 4.46Å; E221-E223 HydrophobicContact CB-CB 4.45Å; E221-E223 HydrophobicContact CB-CG 4.21Å; E221-E223 PolarHBondContact O-N 3.4Å
222	Q	81.2	Confident	91.5	Very high	134 Å²	134	58 Å²	58	63%	0.626	29%	0.285	S	S	*	.			trans	56	25.2	-172.6	-64.9	-72	-55.4	0	0	113.5	D218 P219	D218-Q222 VanDerWaalsContact O-CA 3.23Å; D218-Q222 WeakPolarHBondContact O-CA 3.42Å; D218-Q222 PolarHBondContact O-N 2.86Å; P219-Q222 PolarHBondContact O-NE2 3.4Å
223	E	86.5	Confident	91.5	Very high	136 Å²	136	59 Å²	59	64%	0.636	29%	0.29	S	S	*	.			trans	-94.2	141.2	176.4	-67.9	-166.4	158.7	0	0	111.3	I217 D218 E221 V225	I217-E223 WeakPolarHBondContact CA-O 3.43Å; I217-E223 WeakPolarHBondContact CG2-O 3.45Å; D218-E223 PolarHBondContact N-O 3.49Å; E221-E223 HydrophobicContact CB-CB 4.45Å; E221-E223 HydrophobicContact CB-CG 4.21Å; E221-E223 PolarHBondContact O-N 3.4Å; E223-V225 PolarHBondContact O-N 2.93Å
224	V	88.7	Confident	91.6	Very high	90 Å²	90	56.5 Å²	56.5	55%	0.545	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	116.7	173.5	177	0	0	0	0	108.5	H215 I217	H215-V224 HydrophobicContact CB-CG1 4.17Å; I217-V224 HydrophobicContact CD1-CG2 4.35Å; I217-V224 HydrophobicContact CG1-CG2 4.21Å
225	V	88.7	Confident	91.5	Very high	30 Å²	30	58.7 Å²	58.7	18%	0.182	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-49.5	176.2	-179.9	0	0	0	0	110.1	I216 D218 E223 Q258 L262	I216-V225 HydrophobicContact CB-CB 4.4Å; I216-V225 HydrophobicContact CG2-CB 4.2Å; I216-V225 HydrophobicContact CG2-CG2 4.37Å; I216-V225 PolarHBondContact O-N 2.74Å; D218-V225 HydrophobicContact CB-CG2 4.35Å; E223-V225 PolarHBondContact O-N 2.93Å; V225-Q258 HydrophobicContact CG1-CB 4.13Å; V225-L262 HydrophobicContact CG2-CD2 4.2Å
226	D	94.8	Very high	91.3	Very high	19 Å²	19	60.1 Å²	60.1	10%	0.102	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	160.9	179	-159.2	14	0	0	0	112.6	H215 I216 V228 C249 H250 V255	H215-D226 WeakPolarHBondContact CA-O 3.2Å; I216-D226 PolarHBondContact N-O 2.87Å; D226-V228 HydrophobicContact CB-CG1 4.05Å; D226-C249 VanDerWaalsContact OD2-CB 3.29Å; D226-C249 WeakPolarHBondContact OD2-CB 3.44Å; D226-H250 IonicContact OD1-CE1 2.82Å; D226-H250 IonicContact OD1-CG 2.81Å; D226-H250 IonicContact OD1-ND1 3.36Å; D226-H250 PolarHBondContact OD1-ND1 3.31Å; D226-H250 IonicContact OD2-CG 3.83Å; D226-H250 PolarHBondContact OD2-N 3.41Å; D226-H250 IonicContact OD2-ND1 3.49Å; D226-H250 PolarHBondContact OD2-ND1 3.09Å; D226-V255 HydrophobicContact CB-CG1 3.7Å; D226-V255 WeakPolarHBondContact OD2-CG1 3.26Å
227	E	94	Very high	91.2	Very high	93 Å²	93	68 Å²	68	44%	0.435	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.5	165.4	-177.2	179.6	-158.5	0	0	109.2	Y213	Y213-E227 HydrophobicContact CE2-CG 3.59Å; Y213-E227 WeakPolarHBondContact CE2-OE1 3.34Å; Y213-E227 PolarHBondContact OH-OE1 3.32Å
228	V	96.2	Very high	91.2	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.024	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	161.5	-167.5	-58.2	0	0	0	0	113.7	Y196 G214 I216 D226 V230 I247 N248 C249	Y196-V228 HydrophobicContact CD2-CG2 4.47Å; G214-V228 PolarHBondContact N-O 2.94Å; G214-V228 PolarHBondContact O-N 3.21Å; G214-V228 VanDerWaalsContact O-O 3.14Å; I216-V228 HydrophobicContact CD1-CG2 3.84Å; I216-V228 HydrophobicContact CG1-CB 4.29Å; I216-V228 HydrophobicContact CG1-CG1 3.7Å; I216-V228 HydrophobicContact CG1-CG2 3.61Å; D226-V228 HydrophobicContact CB-CG1 4.05Å; V228-V230 HydrophobicContact CG2-CG2 3.8Å; V228-I247 HydrophobicContact CB-CG2 3.88Å; V228-I247 HydrophobicContact CG1-CG2 3.86Å; V228-I247 HydrophobicContact CG2-CG2 4.04Å; V228-N248 VanDerWaalsContact CA-O 3.27Å; V228-N248 WeakPolarHBondContact CA-O 3.47Å; V228-N248 VanDerWaalsContact CB-O 3.29Å; V228-N248 WeakPolarHBondContact CB-O 3.43Å; V228-C249 HydrophobicContact CG1-CB 3.75Å
229	M	96.9	Very high	91.4	Very high	98 Å²	98	69.3 Å²	69.3	48%	0.483	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.3	162.1	-62.9	-174.3	80.8	0	0	109.8	I211 H212 N248	I211-M229 HydrophobicContact CG2-CB 3.9Å; I211-M229 HydrophobicContact CG2-CE 3.61Å; H212-M229 CarbonylContact O-C 3.6Å; H212-M229 WeakPolarHBondContact O-CA 3.44Å; M229-N248 HydrophobicContact CB-CB 4.26Å; M229-N248 PolarHBondContact N-O 3.22Å; M229-N248 WeakPolarHBondContact O-CB 3.32Å; M229-N248 PolarHBondContact O-N 2.93Å; M229-N248 PolarHBondContact O-ND2 3.42Å
230	V	97.2	Very high	91.9	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.006	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.6	-179.7	-175.1	0	0	0	0	110.5	Y196 L203 I211 H212 V228 V232 V245 E246 I247	Y196-V230 HydrophobicContact CD2-CB 4.34Å; Y196-V230 HydrophobicContact CD2-CG2 3.48Å; Y196-V230 VanDerWaalsContact CD2-CG2 3.48Å; Y196-V230 HydrophobicContact CE2-CB 4.31Å; Y196-V230 HydrophobicContact CE2-CG2 3.75Å; Y196-V230 HydrophobicContact CG-CG2 4.39Å; L203-V230 HydrophobicContact CD1-CB 4.45Å; L203-V230 HydrophobicContact CD1-CG1 3.8Å; L203-V230 HydrophobicContact CD2-CB 4.44Å; L203-V230 HydrophobicContact CD2-CG1 4.32Å; I211-V230 CarbonylContact C-O 3.53Å; I211-V230 WeakPolarHBondContact CA-O 3.47Å; H212-V230 PolarHBondContact N-O 3.3Å; H212-V230 PolarHBondContact O-N 3.13Å; V228-V230 HydrophobicContact CG2-CG2 3.8Å; V230-V232 HydrophobicContact CG1-CG2 4.24Å; V230-V245 HydrophobicContact CG1-CG1 3.37Å; V230-E246 CarbonylContact C-O 3.56Å; V230-E246 WeakPolarHBondContact CA-O 3.35Å; V230-I247 HydrophobicContact CG1-CG1 4.39Å; V230-I247 HydrophobicContact CG2-CG1 4.29Å; V230-I247 HydrophobicContact CG2-CG2 4.3Å
231	S	97.5	Very high	92.4	Very high	15 Å²	15	64.3 Å²	64.3	11%	0.105	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.9	171.2	-53.3	0	0	0	0	110	T210 V245 E246	T210-S231 CarbonylContact O-C 3.51Å; T210-S231 VanDerWaalsContact O-CA 3.31Å; T210-S231 WeakPolarHBondContact O-CA 3.41Å; S231-V245 WeakPolarHBondContact O-CA 3.44Å; S231-E246 PolarHBondContact N-O 3Å; S231-E246 PolarHBondContact O-N 3.36Å
232	V	97.4	Very high	93	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.6	178.8	-179	0	0	0	0	109.7	V189 L203 V206 S208 H209 T210 V230	V189-V232 HydrophobicContact CG1-CG1 4.22Å; V189-V232 HydrophobicContact CG2-CG1 4.02Å; L203-V232 HydrophobicContact CB-CG2 4.39Å; L203-V232 HydrophobicContact CD2-CG2 4.05Å; V206-V232 HydrophobicContact CG2-CB 3.88Å; V206-V232 HydrophobicContact CG2-CG1 3.95Å; V206-V232 HydrophobicContact CG2-CG2 3.87Å; S208-V232 CarbonylContact C-O 3.57Å; H209-V232 WeakPolarHBondContact CA-O 3.24Å; H209-V232 PolarHBondContact N-O 3.32Å; T210-V232 PolarHBondContact N-O 3.48Å; T210-V232 PolarHBondContact O-N 2.99Å; V230-V232 HydrophobicContact CG1-CG2 4.24Å
233	M	97.4	Very high	93.7	Very high	37 Å²	37	53.6 Å²	53.6	18%	0.182	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.2	177.8	-62.2	170.5	-79.7	0	0	109.1	T238 I244 E246	M233-T238 HydrophobicContact CB-CG2 3.79Å; M233-T238 WeakPolarHBondContact O-CG2 3.35Å; M233-I244 HydrophobicContact CB-CB 4.41Å; M233-I244 HydrophobicContact CE-CB 4.1Å; M233-I244 HydrophobicContact CE-CG2 3.54Å; M233-I244 PolarHBondContact N-O 3.49Å; M233-I244 PolarHBondContact O-N 3.44Å; M233-E246 HydrophobicContact CE-CG 3.92Å
234	R	96.1	Very high	94.3	Very high	65 Å²	65	47.2 Å²	47.2	25%	0.245	24%	0.239	C	C	.	.			trans	-95.6	146.9	-178.4	-60.7	-175.7	173	-80.5	8.4	113	L204 S208 K237 T238 D243	L204-R234 PolarHBondContact O-NH2 3.22Å; S208-R234 PolarHBondContact OG-N 3.44Å; R234-K237 PolarHBondContact O-N 2.89Å; R234-T238 WeakPolarHBondContact O-CG2 3.47Å; R234-D243 WeakPolarHBondContact CA-OD1 3.34Å; R234-D243 WeakPolarHBondContact CB-OD1 3.42Å; R234-D243 IonicContact NH1-OD2 2.99Å; R234-D243 PolarHBondContact NH1-OD2 3.07Å
235	A	92.5	Very high	94.7	Very high	46 Å²	46	42.9 Å²	42.9	38%	0.38	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	152.3	171.4	0	0	0	0	0	112.3	K237 R241 D243	A235-K237 VanDerWaalsContact C-N 3.3Å; A235-R241 WeakPolarHBondContact CB-O 3.49Å; A235-D243 PolarHBondContact N-OD1 2.76Å
236	P	91.7	Very high	95.1	Very high	92 Å²	92	43 Å²	43	60%	0.597	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86.4	5	-8.5	35.7	-35.8	0	0	0	112.6	T238 R241	P236-T238 PolarHBondContact O-N 3.2Å; P236-R241 HydrophobicContact CB-CB 4.47Å; P236-R241 HydrophobicContact CB-CG 4.47Å; P236-R241 WeakPolarHBondContact O-CG 3.12Å
237	K	92.3	Very high	95.3	Very high	165 Å²	165	42.1 Å²	42.1	72%	0.717	21%	0.207	S	C	*	.	S	Bend	trans	-83.2	48.4	-173.1	-67.6	-176.2	-179.6	178	0	112.1	H209 R234 A235	H209-K237 PolarHBondContact CE1-O 3.37Å; H209-K237 PolarHBondContact NE2-O 2.85Å; R234-K237 PolarHBondContact O-N 2.89Å; A235-K237 VanDerWaalsContact C-N 3.3Å
238	T	93.5	Very high	95.4	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.055	20%	0.195	C	C	.	.	S	Bend	trans	-129.6	175.6	-179.8	68	0	0	0	0	110.4	M233 R234 P236 R241 E242 I244	M233-T238 HydrophobicContact CB-CG2 3.79Å; M233-T238 WeakPolarHBondContact O-CG2 3.35Å; R234-T238 WeakPolarHBondContact O-CG2 3.47Å; P236-T238 PolarHBondContact O-N 3.2Å; T238-R241 WeakPolarHBondContact OG1-CA 3.1Å; T238-R241 PolarHBondContact OG1-N 2.83Å; T238-E242 VanDerWaalsContact CB-O 3.27Å; T238-E242 WeakPolarHBondContact CB-O 3.25Å; T238-E242 WeakPolarHBondContact CG2-O 3.48Å; T238-E242 PolarHBondContact OG1-N 2.89Å; T238-E242 PolarHBondContact OG1-O 3Å; T238-I244 HydrophobicContact CG2-CB 4.39Å; T238-I244 HydrophobicContact CG2-CG1 4.23Å
239	F	90.6	Very high	95.3	Very high	73 Å²	73	39.4 Å²	39.4	32%	0.32	20%	0.195	S	C	.	.	S	Bend	trans	-65.2	-41.5	176.1	-179.3	-107.6	0	0	0	112.1	I244 T277 A280 R285	F239-I244 HydrophobicContact CB-CD1 4.09Å; F239-T277 HydrophobicContact CZ-CG2 4.25Å; F239-A280 HydrophobicContact CD1-CB 4.07Å; F239-A280 HydrophobicContact CE1-CB 3.82Å; F239-A280 HydrophobicContact CE2-CB 4.44Å; F239-A280 HydrophobicContact CZ-CB 4.01Å; F239-A280 WeakPolarHBondContact O-CB 3.49Å; F239-R285 WeakPolarHBondContact O-CG 3.39Å
240	T	93	Very high	95.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-88.9	-8.8	179.4	55.2	0	0	0	0	113.3	S184 E242 I244 F276 R279 N283	S184-T240 WeakPolarHBondContact OG-CB 3.49Å; S184-T240 VanDerWaalsContact OG-CG2 3.31Å; S184-T240 WeakPolarHBondContact OG-CG2 3.42Å; S184-T240 PolarHBondContact OG-OG1 2.94Å; T240-E242 PolarHBondContact O-N 3.22Å; T240-E242 PolarHBondContact OG1-N 2.97Å; T240-I244 HydrophobicContact CG2-CD1 4.16Å; T240-I244 WeakPolarHBondContact OG1-CD1 3.45Å; T240-F276 HydrophobicContact CG2-CB 4.36Å; T240-F276 HydrophobicContact CG2-CD1 4.21Å; T240-F276 WeakPolarHBondContact CG2-O 3.43Å; T240-R279 HydrophobicContact CG2-CB 4.08Å; T240-N283 WeakPolarHBondContact O-CB 3.32Å; T240-N283 PolarHBondContact O-ND2 2.91Å
241	R	93.1	Very high	94.7	Very high	107 Å²	107	39.6 Å²	39.6	40%	0.404	20%	0.196	S	C	.	.	S	Bend	trans	63.9	5.8	-163.2	-69.6	174.3	167.6	-175.4	2.4	115.2	A235 P236 T238 N283 G284 R285	A235-R241 WeakPolarHBondContact CB-O 3.49Å; P236-R241 HydrophobicContact CB-CB 4.47Å; P236-R241 HydrophobicContact CB-CG 4.47Å; P236-R241 WeakPolarHBondContact O-CG 3.12Å; T238-R241 WeakPolarHBondContact OG1-CA 3.1Å; T238-R241 PolarHBondContact OG1-N 2.83Å; R241-N283 HydrophobicContact CB-CB 4.04Å; R241-N283 WeakPolarHBondContact CD-O 3.42Å; R241-N283 PolarHBondContact NH1-O 3.13Å; R241-G284 PolarHBondContact NH1-O 3.31Å; R241-G284 PolarHBondContact NH2-O 3.38Å; R241-G284 VanDerWaalsContact NH2-O 3.09Å; R241-R285 HydrophobicContact CG-CB 3.96Å; R241-R285 HydrophobicContact CG-CG 4.34Å
242	E	94.7	Very high	94.3	Very high	22 Å²	22	40.3 Å²	40.3	10%	0.103	21%	0.205	C	C	.	.	S	Bend	trans	-97.4	171.7	170.7	-56.7	170.1	137.2	0	0	110	S184 T238 T240 I244 R279	S184-E242 PolarHBondContact OG-OE2 3.43Å; T238-E242 VanDerWaalsContact CB-O 3.27Å; T238-E242 WeakPolarHBondContact CB-O 3.25Å; T238-E242 WeakPolarHBondContact CG2-O 3.48Å; T238-E242 PolarHBondContact OG1-N 2.89Å; T238-E242 PolarHBondContact OG1-O 3Å; T240-E242 PolarHBondContact O-N 3.22Å; T240-E242 PolarHBondContact OG1-N 2.97Å; E242-I244 PolarHBondContact O-N 2.69Å; E242-R279 IonicContact OE1-CZ 2.75Å; E242-R279 IonicContact OE1-NH1 3.89Å; E242-R279 PolarHBondContact OE1-NH1 3.46Å; E242-R279 WeakPolarHBondContact OE2-CD 3.43Å; E242-R279 IonicContact OE2-NH1 2.71Å; E242-R279 PolarHBondContact OE2-NH1 3.31Å
243	D	96.1	Very high	93.7	Very high	23 Å²	23	44.3 Å²	44.3	12%	0.123	23%	0.226	C	C	.	.			trans	-62.2	128.9	166.2	-84.3	13.8	0	0	0	109	S184 G185 A188 V189 R234 A235	S184-D243 WeakPolarHBondContact CA-O 3.41Å; G185-D243 PolarHBondContact N-O 3.49Å; A188-D243 HydrophobicContact CB-CB 4.37Å; A188-D243 VanDerWaalsContact CB-O 3.31Å; A188-D243 WeakPolarHBondContact CB-O 3.42Å; V189-D243 HydrophobicContact CG2-CB 4.08Å; V189-D243 WeakPolarHBondContact CG2-OD2 3.35Å; R234-D243 WeakPolarHBondContact CA-OD1 3.34Å; R234-D243 WeakPolarHBondContact CB-OD1 3.42Å; R234-D243 IonicContact NH1-OD2 2.99Å; R234-D243 PolarHBondContact NH1-OD2 3.07Å; A235-D243 PolarHBondContact N-OD1 2.76Å
244	I	97.4	Very high	93.3	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.1	178	-62.7	-173.8	0	0	0	109.2	R182 L183 M233 T238 F239 T240 E242 E246	R182-I244 HydrophobicContact CG-CG2 3.91Å; L183-I244 VanDerWaalsContact O-CA 3.27Å; L183-I244 WeakPolarHBondContact O-CA 3.46Å; L183-I244 WeakPolarHBondContact O-CG2 3.1Å; M233-I244 HydrophobicContact CB-CB 4.41Å; M233-I244 HydrophobicContact CE-CB 4.1Å; M233-I244 HydrophobicContact CE-CG2 3.54Å; M233-I244 PolarHBondContact N-O 3.49Å; M233-I244 PolarHBondContact O-N 3.44Å; T238-I244 HydrophobicContact CG2-CB 4.39Å; T238-I244 HydrophobicContact CG2-CG1 4.23Å; F239-I244 HydrophobicContact CB-CD1 4.09Å; T240-I244 HydrophobicContact CG2-CD1 4.16Å; T240-I244 WeakPolarHBondContact OG1-CD1 3.45Å; E242-I244 PolarHBondContact O-N 2.69Å; I244-E246 HydrophobicContact CG2-CG 4.25Å
245	V	97.9	Very high	93	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.4	167.9	-179.6	0	0	0	0	109.6	R182 L183 A188 V189 A192 V230 S231 I247	R182-V245 CarbonylContact C-O 3.51Å; R182-V245 WeakPolarHBondContact CA-O 3.48Å; L183-V245 HydrophobicContact CB-CB 4.41Å; L183-V245 HydrophobicContact CD1-CB 4.35Å; L183-V245 PolarHBondContact N-O 2.85Å; L183-V245 PolarHBondContact O-N 3.41Å; L183-V245 VanDerWaalsContact O-N 3.1Å; A188-V245 HydrophobicContact CB-CG2 4.32Å; V189-V245 HydrophobicContact CB-CG2 4.38Å; V189-V245 HydrophobicContact CG2-CG2 3.95Å; A192-V245 HydrophobicContact CB-CB 4.09Å; A192-V245 HydrophobicContact CB-CG1 3.61Å; A192-V245 HydrophobicContact CB-CG2 4.07Å; V230-V245 HydrophobicContact CG1-CG1 3.37Å; S231-V245 WeakPolarHBondContact O-CA 3.44Å; V245-I247 HydrophobicContact CG1-CG1 4.24Å
246	E	97.8	Very high	92.9	Very high	32 Å²	32	44 Å²	44	15%	0.15	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.5	172.6	-63.2	-179.3	162.2	0	0	110	I180 R182 V230 S231 M233 I244	I180-E246 HydrophobicContact CG2-CB 3.89Å; I180-E246 HydrophobicContact CG2-CG 4.2Å; R182-E246 HydrophobicContact CB-CG 4.4Å; R182-E246 HydrophobicContact CG-CG 4.08Å; R182-E246 IonicContact CZ-OE1 4Å; R182-E246 IonicContact NE-OE1 3.97Å; R182-E246 PolarHBondContact NE-OE1 2.95Å; R182-E246 IonicContact NH2-OE1 3.02Å; R182-E246 PolarHBondContact NH2-OE1 3.22Å; V230-E246 CarbonylContact C-O 3.56Å; V230-E246 WeakPolarHBondContact CA-O 3.35Å; S231-E246 PolarHBondContact N-O 3Å; S231-E246 PolarHBondContact O-N 3.36Å; M233-E246 HydrophobicContact CE-CG 3.92Å; I244-E246 HydrophobicContact CG2-CG 4.25Å
247	I	97.5	Very high	92.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	107.6	176.6	-51.7	-173.5	0	0	0	107.9	I180 V181 L183 I216 V228 V230 V245 L259 I263	I180-I247 WeakPolarHBondContact CA-O 3.31Å; V181-I247 PolarHBondContact N-O 2.86Å; V181-I247 PolarHBondContact O-N 2.67Å; L183-I247 HydrophobicContact CD1-CD1 4.3Å; L183-I247 HydrophobicContact CD1-CG1 4.38Å; I216-I247 HydrophobicContact CD1-CD1 4.04Å; I216-I247 HydrophobicContact CD1-CG2 4.16Å; I216-I247 HydrophobicContact CG1-CG2 4.16Å; V228-I247 HydrophobicContact CB-CG2 3.88Å; V228-I247 HydrophobicContact CG1-CG2 3.86Å; V228-I247 HydrophobicContact CG2-CG2 4.04Å; V230-I247 HydrophobicContact CG1-CG1 4.39Å; V230-I247 HydrophobicContact CG2-CG1 4.29Å; V230-I247 HydrophobicContact CG2-CG2 4.3Å; V245-I247 HydrophobicContact CG1-CG1 4.24Å; I247-L259 HydrophobicContact CB-CD2 4.15Å; I247-L259 HydrophobicContact CD1-CD1 4.32Å; I247-L259 HydrophobicContact CG2-CD1 4.32Å; I247-L259 HydrophobicContact CG2-CD2 3.69Å; I247-I263 HydrophobicContact CD1-CD1 3.89Å; I247-I263 HydrophobicContact CD1-CG1 4.45Å
248	N	96.6	Very high	92.8	Very high	35 Å²	35	40.2 Å²	40.2	19%	0.187	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	113	174.8	-53.6	-80.9	0	0	0	108.5	I178 S179 I180 V228 M229	I178-N248 HydrophobicContact CG2-CB 4.31Å; S179-N248 WeakPolarHBondContact O-CA 3.49Å; I180-N248 WeakPolarHBondContact CG1-OD1 3.41Å; V228-N248 VanDerWaalsContact CA-O 3.27Å; V228-N248 WeakPolarHBondContact CA-O 3.47Å; V228-N248 VanDerWaalsContact CB-O 3.29Å; V228-N248 WeakPolarHBondContact CB-O 3.43Å; M229-N248 HydrophobicContact CB-CB 4.26Å; M229-N248 PolarHBondContact N-O 3.22Å; M229-N248 WeakPolarHBondContact O-CB 3.32Å; M229-N248 PolarHBondContact O-N 2.93Å; M229-N248 PolarHBondContact O-ND2 3.42Å
249	C	94.4	Very high	92.8	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.034	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	171.3	-174.8	61	0	0	0	0	110.8	I178 S179 D226 V228 G251 L259	I178-C249 WeakPolarHBondContact CA-O 3.35Å; S179-C249 PolarHBondContact N-O 3.37Å; S179-C249 PolarHBondContact O-N 2.99Å; S179-C249 PolarHBondContact O-SG 3.25Å; S179-C249 VanDerWaalsContact O-SG 3.33Å; D226-C249 VanDerWaalsContact OD2-CB 3.29Å; D226-C249 WeakPolarHBondContact OD2-CB 3.44Å; V228-C249 HydrophobicContact CG1-CB 3.75Å; C249-G251 PolarHBondContact O-N 2.82Å; C249-L259 HydrophobicContact CB-CD2 3.88Å; C249-L259 VanDerWaalsContact SG-CD2 3.58Å
250	H	93.3	Very high	92.9	Very high	100 Å²	100	36.9 Å²	36.9	46%	0.463	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	130.3	172.9	-68.9	91.6	0	0	0	110.3	D226 G252 V256	D226-H250 IonicContact OD1-CE1 2.82Å; D226-H250 IonicContact OD1-CG 2.81Å; D226-H250 IonicContact OD1-ND1 3.36Å; D226-H250 PolarHBondContact OD1-ND1 3.31Å; D226-H250 IonicContact OD2-CG 3.83Å; D226-H250 PolarHBondContact OD2-N 3.41Å; D226-H250 IonicContact OD2-ND1 3.49Å; D226-H250 PolarHBondContact OD2-ND1 3.09Å; H250-G252 PolarHBondContact O-N 3.45Å; H250-V256 WeakPolarHBondContact O-CG2 3.38Å
251	G	89	Confident	92.9	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.031	21%	0.213	C	C	.	.			trans	-76.4	28.8	-173.4	0	0	0	0	0	115.8	G176 A177 C249	G176-G251 PolarHBondContact N-O 3.22Å; G176-G251 CarbonylContact O-C 3.56Å; G176-G251 WeakPolarHBondContact O-CA 3.33Å; G176-G251 PolarHBondContact O-N 3.11Å; A177-G251 PolarHBondContact O-N 3.09Å; C249-G251 PolarHBondContact O-N 2.82Å
252	G	88	Confident	92.9	Very high	30 Å²	30	36.6 Å²	36.6	31%	0.309	20%	0.196	S	C	.	.			trans	-77.6	130.9	172.7	0	0	0	0	0	111.1	H250 V254 V255 V256	H250-G252 PolarHBondContact O-N 3.45Å; G252-V254 PolarHBondContact O-N 3.4Å; G252-V255 PolarHBondContact O-N 3.25Å; G252-V256 WeakPolarHBondContact O-CG2 3.45Å; G252-V256 PolarHBondContact O-N 3.39Å
253	I	84.7	Confident	92.9	Very high	85 Å²	85	35.5 Å²	35.5	44%	0.436	19%	0.191	S	C	.	.	H	α-helix	trans	-52.3	-38.1	-174.1	-62	171.9	0	0	0	112.6	E175 N257	E175-I253 HydrophobicContact CG-CD1 4.16Å; E175-I253 HydrophobicContact CG-CG1 4.32Å; I253-N257 WeakPolarHBondContact CG2-ND2 3.41Å; I253-N257 WeakPolarHBondContact O-CB 3.33Å; I253-N257 PolarHBondContact O-N 3.16Å; I253-N257 PolarHBondContact O-ND2 2.76Å
254	V	88.7	Confident	92.7	Very high	98 Å²	98	36.2 Å²	36.2	59%	0.594	19%	0.194	S	C	*	.	H	α-helix	trans	-69.6	-48.4	179.8	-179.8	0	0	0	0	111.4	G252 N257 Q258	G252-V254 PolarHBondContact O-N 3.4Å; V254-N257 PolarHBondContact O-N 3.07Å; V254-Q258 HydrophobicContact CG1-CG 4.4Å; V254-Q258 WeakPolarHBondContact O-CB 3.39Å; V254-Q258 WeakPolarHBondContact O-CG 3.2Å; V254-Q258 PolarHBondContact O-N 3.08Å
255	V	89.6	Confident	92.4	Very high	35 Å²	35	44.2 Å²	44.2	21%	0.212	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-47.8	-178.1	177.7	0	0	0	0	110.5	D226 G252 N257 Q258 L259	D226-V255 HydrophobicContact CB-CG1 3.7Å; D226-V255 WeakPolarHBondContact OD2-CG1 3.26Å; G252-V255 PolarHBondContact O-N 3.25Å; V255-N257 PolarHBondContact O-N 3.45Å; V255-Q258 PolarHBondContact O-N 2.98Å; V255-L259 WeakPolarHBondContact O-CB 3.48Å; V255-L259 PolarHBondContact O-N 2.97Å
256	V	91.1	Very high	92	Very high	8 Å²	8	45.9 Å²	45.9	5%	0.048	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-43	-179.6	-179.5	0	0	0	0	111.5	I169 S179 V181 H250 G252 L259 L260	I169-V256 HydrophobicContact CB-CG1 4.44Å; I169-V256 HydrophobicContact CD1-CG1 3.56Å; I169-V256 HydrophobicContact CG1-CG1 3.59Å; I169-V256 HydrophobicContact CG2-CG1 3.98Å; S179-V256 WeakPolarHBondContact OG-CG1 3.38Å; S179-V256 WeakPolarHBondContact OG-CG2 3.36Å; V181-V256 HydrophobicContact CG2-CG1 4.17Å; H250-V256 WeakPolarHBondContact O-CG2 3.38Å; G252-V256 WeakPolarHBondContact O-CG2 3.45Å; G252-V256 PolarHBondContact O-N 3.39Å; V256-L259 PolarHBondContact O-N 2.88Å; V256-L260 WeakPolarHBondContact O-CB 3.25Å; V256-L260 PolarHBondContact O-N 3.16Å
257	N	90.1	Very high	91.6	Very high	74 Å²	74	47 Å²	47	40%	0.396	26%	0.256	S	S	.	.	H	α-helix	trans	-67.9	-40.8	177.3	-80.7	-46.7	0	0	0	112	I253 V254 V255 L260 Q261	I253-N257 WeakPolarHBondContact CG2-ND2 3.41Å; I253-N257 WeakPolarHBondContact O-CB 3.33Å; I253-N257 PolarHBondContact O-N 3.16Å; I253-N257 PolarHBondContact O-ND2 2.76Å; V254-N257 PolarHBondContact O-N 3.07Å; V255-N257 PolarHBondContact O-N 3.45Å; N257-L260 PolarHBondContact O-N 2.69Å; N257-Q261 WeakPolarHBondContact O-CB 3.15Å; N257-Q261 WeakPolarHBondContact O-CG 3.46Å; N257-Q261 PolarHBondContact O-N 3.49Å
258	Q	91.1	Very high	91.4	Very high	104 Å²	104	47.4 Å²	47.4	49%	0.486	26%	0.26	S	S	.	.	H	α-helix	trans	-60.9	-46.7	175	-78.2	179.6	-17.6	0	0	111.2	V225 V254 V255 L260 Q261 L262	V225-Q258 HydrophobicContact CG1-CB 4.13Å; V254-Q258 HydrophobicContact CG1-CG 4.4Å; V254-Q258 WeakPolarHBondContact O-CB 3.39Å; V254-Q258 WeakPolarHBondContact O-CG 3.2Å; V254-Q258 PolarHBondContact O-N 3.08Å; V255-Q258 PolarHBondContact O-N 2.98Å; Q258-L260 PolarHBondContact O-N 3.31Å; Q258-Q261 PolarHBondContact O-N 2.77Å; Q258-L262 WeakPolarHBondContact O-CB 3.49Å; Q258-L262 PolarHBondContact O-N 2.74Å
259	L	93.5	Very high	91.3	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.2	-48.4	176	177.8	64	0	0	0	111.9	V181 I216 I247 C249 V255 V256 L262 I263	V181-L259 HydrophobicContact CB-CD2 4.08Å; V181-L259 HydrophobicContact CB-CG 4.48Å; V181-L259 HydrophobicContact CG2-CD2 3.67Å; V181-L259 HydrophobicContact CG2-CG 4.09Å; I216-L259 HydrophobicContact CB-CD1 4.08Å; I216-L259 HydrophobicContact CD1-CD1 4.29Å; I216-L259 HydrophobicContact CG1-CD1 3.71Å; I216-L259 HydrophobicContact CG2-CD1 3.63Å; I247-L259 HydrophobicContact CB-CD2 4.15Å; I247-L259 HydrophobicContact CD1-CD1 4.32Å; I247-L259 HydrophobicContact CG2-CD1 4.32Å; I247-L259 HydrophobicContact CG2-CD2 3.69Å; C249-L259 HydrophobicContact CB-CD2 3.88Å; C249-L259 VanDerWaalsContact SG-CD2 3.58Å; V255-L259 WeakPolarHBondContact O-CB 3.48Å; V255-L259 PolarHBondContact O-N 2.97Å; V256-L259 PolarHBondContact O-N 2.88Å; L259-L262 WeakPolarHBondContact O-CB 3.48Å; L259-L262 PolarHBondContact O-N 3.1Å; L259-I263 HydrophobicContact CD1-CD1 4.11Å; L259-I263 HydrophobicContact CG-CD1 3.97Å; L259-I263 WeakPolarHBondContact O-CD1 3.36Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 2.92Å
260	L	93.7	Very high	91.2	Very high	11 Å²	11	54.3 Å²	54.3	6%	0.058	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-48.1	177	178.2	66.8	0	0	0	111	A167 I169 V181 V256 N257 Q258 L262 I263 L264 L270	A167-L260 HydrophobicContact CB-CD1 4.2Å; I169-L260 HydrophobicContact CD1-CD2 4.05Å; I169-L260 HydrophobicContact CG1-CD2 4.07Å; V181-L260 HydrophobicContact CG1-CD1 3.96Å; V256-L260 WeakPolarHBondContact O-CB 3.25Å; V256-L260 PolarHBondContact O-N 3.16Å; N257-L260 PolarHBondContact O-N 2.69Å; Q258-L260 PolarHBondContact O-N 3.31Å; L260-L262 VanDerWaalsContact C-N 3.27Å; L260-L262 PolarHBondContact O-N 3.03Å; L260-I263 PolarHBondContact O-N 2.83Å; L260-L264 HydrophobicContact CD1-CD1 4.48Å; L260-L264 HydrophobicContact CD1-CG 4.35Å; L260-L264 HydrophobicContact CG-CD1 4.12Å; L260-L264 HydrophobicContact CG-CG 4.38Å; L260-L264 VanDerWaalsContact O-CG 3.26Å; L260-L264 WeakPolarHBondContact O-CG 3.39Å; L260-L264 PolarHBondContact O-N 3.03Å; L260-L270 HydrophobicContact CD1-CD1 4.35Å; L260-L270 HydrophobicContact CD2-CD1 3.97Å
261	Q	92.2	Very high	91.2	Very high	94 Å²	94	50.2 Å²	50.2	44%	0.439	27%	0.272	S	S	.	.	H	α-helix	trans	-60.1	-38.8	178.7	-71.3	-62.6	-43.1	0	0	112.1	N257 Q258 L264 R265	N257-Q261 WeakPolarHBondContact O-CB 3.15Å; N257-Q261 WeakPolarHBondContact O-CG 3.46Å; N257-Q261 PolarHBondContact O-N 3.49Å; Q258-Q261 PolarHBondContact O-N 2.77Å; Q261-L264 PolarHBondContact O-N 2.86Å; Q261-R265 VanDerWaalsContact O-CG 3.3Å; Q261-R265 WeakPolarHBondContact O-CG 3.23Å; Q261-R265 PolarHBondContact O-N 2.87Å
262	L	93.1	Very high	91.1	Very high	7 Å²	7	55.6 Å²	55.6	4%	0.037	30%	0.297	C	S	.	.	H	α-helix	trans	-63.4	-44.8	176.4	179.6	62.6	0	0	0	111.9	V195 I216 D218 V225 Q258 L259 L260 L264 R265 S266	V195-L262 HydrophobicContact CB-CD2 4.01Å; V195-L262 HydrophobicContact CB-CG 4.41Å; V195-L262 HydrophobicContact CG1-CD1 4.18Å; V195-L262 HydrophobicContact CG1-CD2 3.88Å; V195-L262 HydrophobicContact CG1-CG 3.75Å; I216-L262 HydrophobicContact CG2-CD2 3.53Å; D218-L262 HydrophobicContact CB-CD1 4.36Å; V225-L262 HydrophobicContact CG2-CD2 4.2Å; Q258-L262 WeakPolarHBondContact O-CB 3.49Å; Q258-L262 PolarHBondContact O-N 2.74Å; L259-L262 WeakPolarHBondContact O-CB 3.48Å; L259-L262 PolarHBondContact O-N 3.1Å; L260-L262 VanDerWaalsContact C-N 3.27Å; L260-L262 PolarHBondContact O-N 3.03Å; L262-L264 VanDerWaalsContact C-N 3.34Å; L262-L264 PolarHBondContact O-N 2.84Å; L262-R265 PolarHBondContact O-N 2.79Å; L262-S266 WeakPolarHBondContact O-CB 3.27Å; L262-S266 PolarHBondContact O-N 2.93Å; L262-S266 PolarHBondContact O-OG 2.95Å
263	I	94.5	Very high	90.9	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.8	-42.2	175.2	-70.8	158.4	0	0	0	111.3	A167 V181 L183 I191 I247 L259 L260 S266 A268	A167-I263 HydrophobicContact CB-CG2 3.59Å; V181-I263 HydrophobicContact CB-CD1 4.12Å; V181-I263 HydrophobicContact CG1-CD1 3.47Å; V181-I263 VanDerWaalsContact CG1-CD1 3.47Å; L183-I263 HydrophobicContact CD1-CD1 4.02Å; L183-I263 HydrophobicContact CD1-CG2 4.26Å; L183-I263 HydrophobicContact CD2-CG2 3.57Å; L183-I263 HydrophobicContact CG-CG2 3.86Å; I191-I263 HydrophobicContact CG2-CG2 4.21Å; I247-I263 HydrophobicContact CD1-CD1 3.89Å; I247-I263 HydrophobicContact CD1-CG1 4.45Å; L259-I263 HydrophobicContact CD1-CD1 4.11Å; L259-I263 HydrophobicContact CG-CD1 3.97Å; L259-I263 WeakPolarHBondContact O-CD1 3.36Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 2.92Å; L260-I263 PolarHBondContact O-N 2.83Å; I263-S266 PolarHBondContact O-N 3Å; I263-A268 HydrophobicContact CG2-CB 3.62Å; I263-A268 WeakPolarHBondContact O-CB 3.23Å; I263-A268 PolarHBondContact O-N 3.13Å
264	L	93.3	Very high	90.9	Very high	37 Å²	37	59.2 Å²	59.2	19%	0.194	33%	0.33	C	S	.	.	H	α-helix	trans	-63.5	-43.6	177.9	-67	176.6	0	0	0	111.8	A167 L260 Q261 L262 S266 G267 A268 L270	A167-L264 HydrophobicContact CB-CD2 4.47Å; L260-L264 HydrophobicContact CD1-CD1 4.48Å; L260-L264 HydrophobicContact CD1-CG 4.35Å; L260-L264 HydrophobicContact CG-CD1 4.12Å; L260-L264 HydrophobicContact CG-CG 4.38Å; L260-L264 VanDerWaalsContact O-CG 3.26Å; L260-L264 WeakPolarHBondContact O-CG 3.39Å; L260-L264 PolarHBondContact O-N 3.03Å; Q261-L264 PolarHBondContact O-N 2.86Å; L262-L264 VanDerWaalsContact C-N 3.34Å; L262-L264 PolarHBondContact O-N 2.84Å; L264-S266 PolarHBondContact O-N 3.49Å; L264-G267 PolarHBondContact O-N 3.36Å; L264-A268 VanDerWaalsContact CA-O 3.31Å; L264-A268 WeakPolarHBondContact CA-O 3.45Å; L264-A268 HydrophobicContact CD2-CB 4.42Å; L264-A268 VanDerWaalsContact CD2-O 3.3Å; L264-A268 WeakPolarHBondContact CD2-O 3.41Å; L264-A268 VanDerWaalsContact O-O 3.14Å; L264-L270 HydrophobicContact CD1-CB 4.41Å; L264-L270 HydrophobicContact CD2-CB 4.14Å
265	R	90.5	Very high	91	Very high	170 Å²	170	55.3 Å²	55.3	64%	0.642	31%	0.305	S	S	*	.	H	α-helix	trans	-63.5	-28.5	174.9	-71	175	-170.4	-176.2	4	112.9	Q261 L262 G267	Q261-R265 VanDerWaalsContact O-CG 3.3Å; Q261-R265 WeakPolarHBondContact O-CG 3.23Å; Q261-R265 PolarHBondContact O-N 2.87Å; L262-R265 PolarHBondContact O-N 2.79Å; R265-G267 PolarHBondContact O-N 3.4Å
266	S	90.1	Very high	91.1	Very high	36 Å²	36	54.6 Å²	54.6	25%	0.252	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	2.6	179.9	-56.7	0	0	0	0	113.6	V195 L262 I263 L264	V195-S266 WeakPolarHBondContact CG1-OG 3.38Å; L262-S266 WeakPolarHBondContact O-CB 3.27Å; L262-S266 PolarHBondContact O-N 2.93Å; L262-S266 PolarHBondContact O-OG 2.95Å; I263-S266 PolarHBondContact O-N 3Å; L264-S266 PolarHBondContact O-N 3.49Å
267	G	89.5	Confident	91.1	Very high	55 Å²	55	55.8 Å²	55.8	57%	0.567	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.1	0	172.4	0	0	0	0	0	115.1	L264 R265	L264-G267 PolarHBondContact O-N 3.36Å; R265-G267 PolarHBondContact O-N 3.4Å
268	A	93.4	Very high	91.1	Very high	9 Å²	9	57.6 Å²	57.6	7%	0.074	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-83.3	152.1	173.7	0	0	0	0	0	112	T165 A167 I191 I263 L264	T165-A268 CarbonylContact O-C 3.01Å; T165-A268 WeakPolarHBondContact O-CA 3.23Å; A167-A268 HydrophobicContact CB-CB 3.86Å; I191-A268 HydrophobicContact CD1-CB 4.3Å; I263-A268 HydrophobicContact CG2-CB 3.62Å; I263-A268 WeakPolarHBondContact O-CB 3.23Å; I263-A268 PolarHBondContact O-N 3.13Å; L264-A268 VanDerWaalsContact CA-O 3.31Å; L264-A268 WeakPolarHBondContact CA-O 3.45Å; L264-A268 HydrophobicContact CD2-CB 4.42Å; L264-A268 VanDerWaalsContact CD2-O 3.3Å; L264-A268 WeakPolarHBondContact CD2-O 3.41Å; L264-A268 VanDerWaalsContact O-O 3.14Å
269	R	93.9	Very high	91	Very high	90 Å²	90	53.7 Å²	53.7	34%	0.34	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	149	168.9	-175.9	-178.5	54.6	78.4	-6.2	110.6	D164 T165 I166 A167 A271 E275	D164-R269 IonicContact OD1-NH2 3.77Å; D164-R269 IonicContact OD2-CZ 3.2Å; D164-R269 IonicContact OD2-NE 3.74Å; D164-R269 PolarHBondContact OD2-NE 3.45Å; D164-R269 IonicContact OD2-NH2 2.76Å; D164-R269 PolarHBondContact OD2-NH2 2.88Å; T165-R269 PolarHBondContact O-N 3.3Å; I166-R269 CarbonylContact C-O 3.57Å; I166-R269 VanDerWaalsContact CA-O 3.26Å; I166-R269 WeakPolarHBondContact CA-O 3.47Å; A167-R269 PolarHBondContact N-O 3.11Å; R269-A271 PolarHBondContact O-N 3.36Å; R269-E275 IonicContact CZ-OE1 3.58Å; R269-E275 IonicContact CZ-OE2 3.75Å; R269-E275 IonicContact NH1-OE1 3.18Å; R269-E275 IonicContact NH1-OE2 3.64Å; R269-E275 PolarHBondContact NH1-OE2 3.44Å; R269-E275 IonicContact NH2-OE1 3.61Å; R269-E275 PolarHBondContact NH2-OE1 3.33Å; R269-E275 IonicContact NH2-OE2 3.22Å; R269-E275 PolarHBondContact NH2-OE2 3.01Å
270	L	92.9	Very high	90.9	Very high	94 Å²	94	53.7 Å²	53.7	49%	0.492	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	126.9	171.4	-173.2	67.3	0	0	0	110.2	A167 L260 L264	A167-L270 WeakPolarHBondContact O-CA 3.46Å; L260-L270 HydrophobicContact CD1-CD1 4.35Å; L260-L270 HydrophobicContact CD2-CD1 3.97Å; L264-L270 HydrophobicContact CD1-CB 4.41Å; L264-L270 HydrophobicContact CD2-CB 4.14Å
271	A	92.1	Very high	90.7	Very high	14 Å²	14	57.1 Å²	57.1	12%	0.116	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-69	142.6	178.2	0	0	0	0	0	111.6	I166 A167 A168 R269 E275 F276	I166-A271 HydrophobicContact CB-CB 3.99Å; I166-A271 HydrophobicContact CD1-CB 4.01Å; I166-A271 HydrophobicContact CG2-CB 4.49Å; A167-A271 PolarHBondContact O-N 3.45Å; A168-A271 HydrophobicContact CB-CB 3.91Å; R269-A271 PolarHBondContact O-N 3.36Å; A271-E275 WeakPolarHBondContact CA-OE2 3.39Å; A271-E275 HydrophobicContact CB-CB 4.22Å; A271-F276 HydrophobicContact CB-CD2 4.26Å; A271-F276 HydrophobicContact CB-CE2 3.63Å; A271-F276 HydrophobicContact CB-CZ 4.26Å
272	E	88.2	Confident	90.5	Very high	117 Å²	117	58.1 Å²	58.1	55%	0.547	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-69	155.6	167.2	-62.9	-177.4	163.2	0	0	110.8	G274 E275	E272-G274 PolarHBondContact O-N 3.02Å; E272-G274 VanDerWaalsContact O-N 3.07Å; E272-E275 HydrophobicContact CB-CB 4.15Å; E272-E275 PolarHBondContact N-OE2 3.09Å; E272-E275 VanDerWaalsContact O-CB 3.24Å; E272-E275 WeakPolarHBondContact O-CB 3.32Å; E272-E275 PolarHBondContact O-N 3.26Å
273	P	82.8	Confident	90.4	Very high	140 Å²	140	60.9 Å²	60.9	91%	0.909	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	118.6	174.2	-26.7	35.5	0	0	0	111.9	E275	P273-E275 VanDerWaalsContact C-N 3.34Å
274	G	85.3	Confident	90	Very high	51 Å²	51	63 Å²	63	53%	0.526	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	5.1	-178.8	0	0	0	0	0	115.5	E272 F276 T277 K278	E272-G274 PolarHBondContact O-N 3.02Å; E272-G274 VanDerWaalsContact O-N 3.07Å; G274-F276 VanDerWaalsContact C-N 3.31Å; G274-F276 PolarHBondContact O-N 2.86Å; G274-T277 PolarHBondContact O-N 3.4Å; G274-K278 PolarHBondContact O-N 3.35Å
275	E	90.3	Very high	89.8	Confident	16 Å²	16	67.3 Å²	67.3	8%	0.075	37%	0.365	C	S	.	.	H	α-helix	trans	-60.6	-36.4	-175.7	-164.8	179.9	158.6	0	0	113.1	I166 R269 A271 E272 P273 T277 K278 R279	I166-E275 HydrophobicContact CD1-CB 4.23Å; I166-E275 HydrophobicContact CD1-CG 4.01Å; I166-E275 WeakPolarHBondContact CG2-OE1 3.31Å; R269-E275 IonicContact CZ-OE1 3.58Å; R269-E275 IonicContact CZ-OE2 3.75Å; R269-E275 IonicContact NH1-OE1 3.18Å; R269-E275 IonicContact NH1-OE2 3.64Å; R269-E275 PolarHBondContact NH1-OE2 3.44Å; R269-E275 IonicContact NH2-OE1 3.61Å; R269-E275 PolarHBondContact NH2-OE1 3.33Å; R269-E275 IonicContact NH2-OE2 3.22Å; R269-E275 PolarHBondContact NH2-OE2 3.01Å; A271-E275 WeakPolarHBondContact CA-OE2 3.39Å; A271-E275 HydrophobicContact CB-CB 4.22Å; E272-E275 HydrophobicContact CB-CB 4.15Å; E272-E275 PolarHBondContact N-OE2 3.09Å; E272-E275 VanDerWaalsContact O-CB 3.24Å; E272-E275 WeakPolarHBondContact O-CB 3.32Å; E272-E275 PolarHBondContact O-N 3.26Å; P273-E275 VanDerWaalsContact C-N 3.34Å; E275-T277 VanDerWaalsContact C-N 3.31Å; E275-T277 PolarHBondContact O-N 3.16Å; E275-K278 CarbonylContact O-C 3.44Å; E275-K278 WeakPolarHBondContact O-CA 3.36Å; E275-K278 WeakPolarHBondContact O-CB 3.48Å; E275-K278 PolarHBondContact O-N 3.13Å; E275-K278 VanDerWaalsContact O-N 3.13Å; E275-R279 WeakPolarHBondContact O-CG 3.42Å; E275-R279 PolarHBondContact O-N 3.09Å; E275-R279 IonicContact OE1-CZ 3.35Å; E275-R279 IonicContact OE1-NE 2.67Å; E275-R279 PolarHBondContact OE1-NE 2.9Å; E275-R279 IonicContact OE1-NH2 3.88Å; E275-R279 PolarHBondContact OE1-NH2 3.01Å
276	F	92.3	Very high	89.8	Confident	20 Å²	20	60.2 Å²	60.2	9%	0.088	34%	0.34	C	S	.	.	H	α-helix	trans	-58.4	-42.9	174.5	-67.8	-87	0	0	0	112	I166 A168 R182 T240 A271 G274 R279 A280	I166-F276 HydrophobicContact CD1-CD1 3.97Å; I166-F276 HydrophobicContact CD1-CD2 4.32Å; I166-F276 HydrophobicContact CD1-CE1 3.9Å; I166-F276 HydrophobicContact CD1-CE2 4.23Å; I166-F276 HydrophobicContact CD1-CG 4.19Å; I166-F276 HydrophobicContact CD1-CZ 4.03Å; I166-F276 HydrophobicContact CG1-CE1 4.09Å; I166-F276 HydrophobicContact CG1-CZ 4.21Å; A168-F276 HydrophobicContact CB-CE2 3.84Å; A168-F276 HydrophobicContact CB-CZ 4.44Å; R182-F276 HydrophobicContact CB-CE1 4.38Å; R182-F276 HydrophobicContact CB-CZ 4.27Å; R182-F276 HydrophobicContact CG-CD1 4.4Å; R182-F276 HydrophobicContact CG-CE1 3.8Å; R182-F276 HydrophobicContact CG-CZ 4.2Å; T240-F276 HydrophobicContact CG2-CB 4.36Å; T240-F276 HydrophobicContact CG2-CD1 4.21Å; T240-F276 WeakPolarHBondContact CG2-O 3.43Å; A271-F276 HydrophobicContact CB-CD2 4.26Å; A271-F276 HydrophobicContact CB-CE2 3.63Å; A271-F276 HydrophobicContact CB-CZ 4.26Å; G274-F276 VanDerWaalsContact C-N 3.31Å; G274-F276 PolarHBondContact O-N 2.86Å; F276-R279 PolarHBondContact O-N 3.19Å; F276-A280 PolarHBondContact O-N 3.28Å
277	T	90.4	Very high	89.8	Confident	32 Å²	32	60.3 Å²	60.3	20%	0.196	34%	0.337	C	S	.	.	H	α-helix	trans	-69.7	-37.1	176.4	-48.8	0	0	0	0	111.1	F239 G274 E275 A280 F281 A291 V294	F239-T277 HydrophobicContact CZ-CG2 4.25Å; G274-T277 PolarHBondContact O-N 3.4Å; E275-T277 VanDerWaalsContact C-N 3.31Å; E275-T277 PolarHBondContact O-N 3.16Å; T277-A280 WeakPolarHBondContact O-CB 3.45Å; T277-A280 PolarHBondContact O-N 2.62Å; T277-F281 PolarHBondContact O-N 3.04Å; T277-A291 HydrophobicContact CG2-CB 3.62Å; T277-V294 HydrophobicContact CG2-CG2 4.42Å
278	K	89.3	Confident	89.6	Confident	113 Å²	113	61.3 Å²	61.3	49%	0.491	33%	0.33	S	S	.	.	H	α-helix	trans	-59.4	-44.8	172.6	-177	-175.2	175.8	-173.5	0	111.4	G274 E275 F281 L282	G274-K278 PolarHBondContact O-N 3.35Å; E275-K278 CarbonylContact O-C 3.44Å; E275-K278 WeakPolarHBondContact O-CA 3.36Å; E275-K278 WeakPolarHBondContact O-CB 3.48Å; E275-K278 PolarHBondContact O-N 3.13Å; E275-K278 VanDerWaalsContact O-N 3.13Å; K278-F281 WeakPolarHBondContact O-CB 3.37Å; K278-F281 PolarHBondContact O-N 3.01Å; K278-L282 HydrophobicContact CG-CD1 4.04Å; K278-L282 HydrophobicContact CG-CG 4.45Å; K278-L282 VanDerWaalsContact O-CG 3.32Å; K278-L282 WeakPolarHBondContact O-CG 3.45Å; K278-L282 PolarHBondContact O-N 3.44Å
279	R	89.7	Confident	89.4	Confident	21 Å²	21	61.4 Å²	61.4	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-64.6	-41.2	175.5	-69.1	-165.3	-174.2	-149.9	-3.3	112.3	D164 T240 E242 E275 F276 F281 L282 N283	D164-R279 PolarHBondContact O-NH1 2.77Å; D164-R279 PolarHBondContact O-NH2 3.03Å; D164-R279 IonicContact OD1-CZ 2.72Å; D164-R279 IonicContact OD1-NH1 2.91Å; D164-R279 IonicContact OD1-NH2 2.82Å; D164-R279 PolarHBondContact OD1-NH2 2.92Å; D164-R279 IonicContact OD2-NH2 3.24Å; T240-R279 HydrophobicContact CG2-CB 4.08Å; E242-R279 IonicContact OE1-CZ 2.75Å; E242-R279 IonicContact OE1-NH1 3.89Å; E242-R279 PolarHBondContact OE1-NH1 3.46Å; E242-R279 WeakPolarHBondContact OE2-CD 3.43Å; E242-R279 IonicContact OE2-NH1 2.71Å; E242-R279 PolarHBondContact OE2-NH1 3.31Å; E275-R279 WeakPolarHBondContact O-CG 3.42Å; E275-R279 PolarHBondContact O-N 3.09Å; E275-R279 IonicContact OE1-CZ 3.35Å; E275-R279 IonicContact OE1-NE 2.67Å; E275-R279 PolarHBondContact OE1-NE 2.9Å; E275-R279 IonicContact OE1-NH2 3.88Å; E275-R279 PolarHBondContact OE1-NH2 3.01Å; F276-R279 PolarHBondContact O-N 3.19Å; R279-F281 PolarHBondContact O-N 3.49Å; R279-L282 PolarHBondContact O-N 2.94Å; R279-N283 VanDerWaalsContact O-CB 3.32Å; R279-N283 WeakPolarHBondContact O-CB 3.3Å; R279-N283 PolarHBondContact O-N 3.4Å; R279-N283 PolarHBondContact O-ND2 3.44Å
280	A	90.7	Very high	89.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-56.3	-40.9	173	0	0	0	0	0	112	F239 F276 T277 G284 R285 V286	F239-A280 HydrophobicContact CD1-CB 4.07Å; F239-A280 HydrophobicContact CE1-CB 3.82Å; F239-A280 HydrophobicContact CE2-CB 4.44Å; F239-A280 HydrophobicContact CZ-CB 4.01Å; F239-A280 WeakPolarHBondContact O-CB 3.49Å; F276-A280 PolarHBondContact O-N 3.28Å; T277-A280 WeakPolarHBondContact O-CB 3.45Å; T277-A280 PolarHBondContact O-N 2.62Å; A280-G284 PolarHBondContact O-N 3.12Å; A280-R285 HydrophobicContact CB-CB 4.4Å; A280-R285 WeakPolarHBondContact O-CA 3.4Å; A280-R285 VanDerWaalsContact O-CB 3.25Å; A280-R285 WeakPolarHBondContact O-CB 3.41Å; A280-R285 PolarHBondContact O-N 2.96Å; A280-V286 HydrophobicContact CB-CG2 3.83Å; A280-V286 PolarHBondContact O-N 2.98Å
281	F	90.2	Very high	89	Confident	83 Å²	83	54.8 Å²	54.8	36%	0.364	30%	0.302	S	S	.	.	H	α-helix	trans	-66.8	-52.2	174.4	171	-110.1	0	0	0	112.5	T277 K278 R279 N283 G284 V286 L288	T277-F281 PolarHBondContact O-N 3.04Å; K278-F281 WeakPolarHBondContact O-CB 3.37Å; K278-F281 PolarHBondContact O-N 3.01Å; R279-F281 PolarHBondContact O-N 3.49Å; F281-N283 VanDerWaalsContact C-N 3.28Å; F281-N283 PolarHBondContact O-N 3.37Å; F281-G284 WeakPolarHBondContact O-CA 3.48Å; F281-G284 PolarHBondContact O-N 2.85Å; F281-V286 WeakPolarHBondContact CA-O 3.48Å; F281-V286 HydrophobicContact CB-CG2 4.4Å; F281-V286 WeakPolarHBondContact CD2-O 3.03Å; F281-L288 HydrophobicContact CD2-CB 4.3Å; F281-L288 HydrophobicContact CE2-CB 3.9Å; F281-L288 HydrophobicContact CZ-CB 4.28Å
282	L	88.6	Confident	88.8	Confident	116 Å²	116	55.2 Å²	55.2	61%	0.607	30%	0.302	S	S	*	.	H	α-helix	trans	-60.9	-36.2	-178	-69.7	174	0	0	0	112.6	K278 R279 G284	K278-L282 HydrophobicContact CG-CD1 4.04Å; K278-L282 HydrophobicContact CG-CG 4.45Å; K278-L282 VanDerWaalsContact O-CG 3.32Å; K278-L282 WeakPolarHBondContact O-CG 3.45Å; K278-L282 PolarHBondContact O-N 3.44Å; R279-L282 PolarHBondContact O-N 2.94Å; L282-G284 PolarHBondContact O-N 2.87Å
283	N	89.5	Confident	88.8	Confident	65 Å²	65	49.7 Å²	49.7	35%	0.348	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	5.9	177.2	-65.9	-22	0	0	0	112.8	T240 R241 R279 F281 R285	T240-N283 WeakPolarHBondContact O-CB 3.32Å; T240-N283 PolarHBondContact O-ND2 2.91Å; R241-N283 HydrophobicContact CB-CB 4.04Å; R241-N283 WeakPolarHBondContact CD-O 3.42Å; R241-N283 PolarHBondContact NH1-O 3.13Å; R279-N283 VanDerWaalsContact O-CB 3.32Å; R279-N283 WeakPolarHBondContact O-CB 3.3Å; R279-N283 PolarHBondContact O-N 3.4Å; R279-N283 PolarHBondContact O-ND2 3.44Å; F281-N283 VanDerWaalsContact C-N 3.28Å; F281-N283 PolarHBondContact O-N 3.37Å; N283-R285 VanDerWaalsContact C-N 3.33Å; N283-R285 PolarHBondContact O-N 2.87Å
284	G	86.8	Confident	89.1	Confident	45 Å²	45	44.5 Å²	44.5	46%	0.464	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	24.3	175.3	0	0	0	0	0	114.3	R241 A280 F281 L282	R241-G284 PolarHBondContact NH1-O 3.31Å; R241-G284 PolarHBondContact NH2-O 3.38Å; R241-G284 VanDerWaalsContact NH2-O 3.09Å; A280-G284 PolarHBondContact O-N 3.12Å; F281-G284 WeakPolarHBondContact O-CA 3.48Å; F281-G284 PolarHBondContact O-N 2.85Å; L282-G284 PolarHBondContact O-N 2.87Å
285	R	89.3	Confident	89	Confident	127 Å²	127	46.5 Å²	46.5	48%	0.479	24%	0.238	S	C	.	.	S	Bend	trans	-78.5	-36.2	176.5	-177.3	58.3	-174	86.4	-0.8	112.4	F239 R241 A280 N283	F239-R285 WeakPolarHBondContact O-CG 3.39Å; R241-R285 HydrophobicContact CG-CB 3.96Å; R241-R285 HydrophobicContact CG-CG 4.34Å; A280-R285 HydrophobicContact CB-CB 4.4Å; A280-R285 WeakPolarHBondContact O-CA 3.4Å; A280-R285 VanDerWaalsContact O-CB 3.25Å; A280-R285 WeakPolarHBondContact O-CB 3.41Å; A280-R285 PolarHBondContact O-N 2.96Å; N283-R285 VanDerWaalsContact C-N 3.33Å; N283-R285 PolarHBondContact O-N 2.87Å
286	V	90.3	Very high	88.7	Confident	20 Å²	20	46.5 Å²	46.5	12%	0.121	24%	0.239	C	C	.	.	S	Bend	trans	-137.4	155.4	178.4	-64.9	0	0	0	0	108.4	A280 F281 Q290 A291	A280-V286 HydrophobicContact CB-CG2 3.83Å; A280-V286 PolarHBondContact O-N 2.98Å; F281-V286 WeakPolarHBondContact CA-O 3.48Å; F281-V286 HydrophobicContact CB-CG2 4.4Å; F281-V286 WeakPolarHBondContact CD2-O 3.03Å; V286-Q290 HydrophobicContact CB-CB 3.97Å; V286-Q290 HydrophobicContact CG1-CB 4.45Å; V286-A291 HydrophobicContact CG2-CB 4.47Å
287	D	89.8	Confident	88.5	Confident	38 Å²	38	48.5 Å²	48.5	20%	0.203	25%	0.25	C	C	.	.			trans	-89.5	175.5	166.9	64.8	68	0	0	0	112.1	S289 Q290 A291 S318	D287-S289 VanDerWaalsContact C-N 3.3Å; D287-S289 PolarHBondContact O-N 3.23Å; D287-S289 WeakPolarHBondContact OD1-CA 3.43Å; D287-S289 WeakPolarHBondContact OD1-CB 3.38Å; D287-S289 PolarHBondContact OD1-N 3.45Å; D287-S289 PolarHBondContact OD1-OG 3.19Å; D287-Q290 PolarHBondContact O-N 3.45Å; D287-Q290 PolarHBondContact OD1-N 2.7Å; D287-Q290 PolarHBondContact OD2-OE1 3.45Å; D287-Q290 VanDerWaalsContact OD2-OE1 3.09Å; D287-A291 PolarHBondContact O-N 3.3Å; D287-S318 PolarHBondContact OD1-OG 3.41Å; D287-S318 VanDerWaalsContact OD1-OG 3.13Å; D287-S318 WeakPolarHBondContact OD2-CB 3.47Å; D287-S318 PolarHBondContact OD2-OG 3Å
288	L	86.1	Confident	88.2	Confident	77 Å²	77	53.6 Å²	53.6	40%	0.403	28%	0.275	S	S	.	.	H	α-helix	trans	-63.5	-35	-176.5	-175.2	61.2	0	0	0	112.6	F281 A291 E292	F281-L288 HydrophobicContact CD2-CB 4.3Å; F281-L288 HydrophobicContact CE2-CB 3.9Å; F281-L288 HydrophobicContact CZ-CB 4.28Å; L288-A291 PolarHBondContact O-N 2.89Å; L288-E292 WeakPolarHBondContact O-CG 3.3Å; L288-E292 PolarHBondContact O-N 2.95Å
289	S	88.1	Confident	87.8	Confident	10 Å²	10	56.4 Å²	56.4	7%	0.07	28%	0.282	C	S	.	.	H	α-helix	trans	-71.8	-34.7	179.6	77.4	0	0	0	0	111.7	D287 A293 Q312 S318	D287-S289 VanDerWaalsContact C-N 3.3Å; D287-S289 PolarHBondContact O-N 3.23Å; D287-S289 WeakPolarHBondContact OD1-CA 3.43Å; D287-S289 WeakPolarHBondContact OD1-CB 3.38Å; D287-S289 PolarHBondContact OD1-N 3.45Å; D287-S289 PolarHBondContact OD1-OG 3.19Å; S289-A293 WeakPolarHBondContact O-CB 3.19Å; S289-A293 PolarHBondContact O-N 3.08Å; S289-A293 VanDerWaalsContact O-N 3.09Å; S289-Q312 PolarHBondContact O-NE2 2.96Å; S289-S318 PolarHBondContact OG-OG 2.9Å
290	Q	90.4	Very high	87.6	Confident	33 Å²	33	56.4 Å²	56.4	15%	0.154	29%	0.286	C	S	.	.	H	α-helix	trans	-68.4	-41.2	171.3	-67.2	179	-55.9	0	0	111.3	V286 D287 E292 A293 V294 L313	V286-Q290 HydrophobicContact CB-CB 3.97Å; V286-Q290 HydrophobicContact CG1-CB 4.45Å; D287-Q290 PolarHBondContact O-N 3.45Å; D287-Q290 PolarHBondContact OD1-N 2.7Å; D287-Q290 PolarHBondContact OD2-OE1 3.45Å; D287-Q290 VanDerWaalsContact OD2-OE1 3.09Å; Q290-E292 VanDerWaalsContact C-N 3.34Å; Q290-E292 PolarHBondContact O-N 2.52Å; Q290-A293 WeakPolarHBondContact O-CB 3.32Å; Q290-A293 PolarHBondContact O-N 2.81Å; Q290-A293 VanDerWaalsContact O-N 3.13Å; Q290-V294 PolarHBondContact O-N 2.99Å; Q290-V294 VanDerWaalsContact O-N 3.16Å; Q290-L313 PolarHBondContact NE2-O 2.72Å; Q290-L313 VanDerWaalsContact O-CD2 3.26Å; Q290-L313 WeakPolarHBondContact O-CD2 3.31Å
291	A	87.9	Confident	87.2	Confident	12 Å²	12	58.6 Å²	58.6	10%	0.099	30%	0.296	C	S	.	.	H	α-helix	trans	-59.2	-43.2	175.5	0	0	0	0	0	112.3	T277 V286 D287 L288 A293 V294	T277-A291 HydrophobicContact CG2-CB 3.62Å; V286-A291 HydrophobicContact CG2-CB 4.47Å; D287-A291 PolarHBondContact O-N 3.3Å; L288-A291 PolarHBondContact O-N 2.89Å; A291-A293 VanDerWaalsContact C-N 3.33Å; A291-V294 WeakPolarHBondContact O-CB 3.45Å; A291-V294 PolarHBondContact O-N 3.44Å
292	E	88	Confident	86.7	Confident	24 Å²	24	55 Å²	55	11%	0.112	28%	0.28	C	S	.	.	H	α-helix	trans	-63.9	-38.7	173.5	-71.8	175.6	171.7	0	0	112.1	L288 Q290 V294 M295 D296 N555 R557 H558	L288-E292 WeakPolarHBondContact O-CG 3.3Å; L288-E292 PolarHBondContact O-N 2.95Å; Q290-E292 VanDerWaalsContact C-N 3.34Å; Q290-E292 PolarHBondContact O-N 2.52Å; E292-V294 PolarHBondContact O-N 3.18Å; E292-M295 WeakPolarHBondContact O-CB 3.45Å; E292-M295 PolarHBondContact O-N 2.92Å; E292-D296 PolarHBondContact O-N 3.15Å; E292-D296 VanDerWaalsContact O-N 3.09Å; E292-N555 PolarHBondContact OE1-ND2 3.23Å; E292-N555 PolarHBondContact OE2-ND2 3.38Å; E292-R557 VanDerWaalsContact CD-NH2 3.28Å; E292-R557 IonicContact OE1-CZ 2.95Å; E292-R557 IonicContact OE1-NE 2.79Å; E292-R557 PolarHBondContact OE1-NE 3.23Å; E292-R557 VanDerWaalsContact OE1-NE 3.14Å; E292-R557 IonicContact OE1-NH2 3.22Å; E292-R557 PolarHBondContact OE1-NH2 2.83Å; E292-R557 IonicContact OE2-NH2 3.13Å; E292-R557 PolarHBondContact OE2-NH2 2.76Å; E292-H558 IonicContact OE2-CE1 3.08Å; E292-H558 PolarHBondContact OE2-CE1 3.35Å; E292-H558 IonicContact OE2-ND1 3.26Å; E292-H558 IonicContact OE2-NE2 3.39Å; E292-H558 PolarHBondContact OE2-NE2 2.97Å
293	A	89.2	Confident	86.4	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.4	-23.5	179.3	0	0	0	0	0	113.2	S289 Q290 A291 M295 D296 L297 Q312 L313	S289-A293 WeakPolarHBondContact O-CB 3.19Å; S289-A293 PolarHBondContact O-N 3.08Å; S289-A293 VanDerWaalsContact O-N 3.09Å; Q290-A293 WeakPolarHBondContact O-CB 3.32Å; Q290-A293 PolarHBondContact O-N 2.81Å; Q290-A293 VanDerWaalsContact O-N 3.13Å; A291-A293 VanDerWaalsContact C-N 3.33Å; A293-M295 VanDerWaalsContact C-N 3.34Å; A293-D296 PolarHBondContact O-N 3.02Å; A293-L297 VanDerWaalsContact O-CB 3.3Å; A293-L297 WeakPolarHBondContact O-CB 3.26Å; A293-L297 PolarHBondContact O-N 3.35Å; A293-Q312 HydrophobicContact CB-CB 3.78Å; A293-Q312 HydrophobicContact CB-CG 3.77Å; A293-L313 HydrophobicContact CB-CB 4.43Å; A293-L313 HydrophobicContact CB-CD2 4.09Å; A293-L313 HydrophobicContact CB-CG 3.66Å
294	V	88.2	Confident	85.9	Confident	31 Å²	31	57.2 Å²	57.2	19%	0.188	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-45.8	169.6	-179.1	0	0	0	0	110.3	T277 Q290 A291 E292 L297 I298 L313	T277-V294 HydrophobicContact CG2-CG2 4.42Å; Q290-V294 PolarHBondContact O-N 2.99Å; Q290-V294 VanDerWaalsContact O-N 3.16Å; A291-V294 WeakPolarHBondContact O-CB 3.45Å; A291-V294 PolarHBondContact O-N 3.44Å; E292-V294 PolarHBondContact O-N 3.18Å; V294-L297 PolarHBondContact O-N 3.41Å; V294-I298 HydrophobicContact CG1-CD1 4.05Å; V294-I298 VanDerWaalsContact O-CG1 3.31Å; V294-I298 WeakPolarHBondContact O-CG1 3.3Å; V294-I298 PolarHBondContact O-N 3.45Å; V294-I298 VanDerWaalsContact O-N 3.11Å; V294-L313 HydrophobicContact CB-CD2 4.33Å; V294-L313 HydrophobicContact CG2-CD2 3.49Å; V294-L313 VanDerWaalsContact CG2-CD2 3.49Å
295	M	83.7	Confident	85.8	Confident	93 Å²	93	55.5 Å²	55.5	46%	0.458	27%	0.266	S	S	.	.	H	α-helix	trans	-68	-40.7	178.4	-71.2	-167.6	-71.6	0	0	111.5	E292 A293 L297 I298 R299	E292-M295 WeakPolarHBondContact O-CB 3.45Å; E292-M295 PolarHBondContact O-N 2.92Å; A293-M295 VanDerWaalsContact C-N 3.34Å; M295-L297 VanDerWaalsContact C-N 3.28Å; M295-L297 PolarHBondContact O-N 3.46Å; M295-I298 PolarHBondContact O-N 2.79Å; M295-R299 WeakPolarHBondContact O-CB 3.34Å; M295-R299 VanDerWaalsContact O-CG 3.32Å; M295-R299 WeakPolarHBondContact O-CG 3.46Å; M295-R299 PolarHBondContact O-N 3.03Å
296	D	85.3	Confident	85.6	Confident	17 Å²	17	53 Å²	53	9%	0.091	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-36.5	178.3	-66.5	-12.6	0	0	0	110.9	E292 A293 R299 A300 A309 R380	E292-D296 PolarHBondContact O-N 3.15Å; E292-D296 VanDerWaalsContact O-N 3.09Å; A293-D296 PolarHBondContact O-N 3.02Å; D296-R299 PolarHBondContact O-N 2.79Å; D296-A300 WeakPolarHBondContact O-CA 3.16Å; D296-A300 WeakPolarHBondContact O-CB 3.47Å; D296-A300 PolarHBondContact O-N 2.94Å; D296-A309 HydrophobicContact CB-CB 4.04Å; D296-R380 IonicContact OD1-CZ 3.49Å; D296-R380 IonicContact OD1-NE 3.85Å; D296-R380 PolarHBondContact OD1-NE 3.23Å; D296-R380 IonicContact OD1-NH2 2.62Å; D296-R380 PolarHBondContact OD1-NH2 3.49Å; D296-R380 IonicContact OD2-CZ 2.94Å; D296-R380 IonicContact OD2-NE 2.79Å; D296-R380 PolarHBondContact OD2-NE 3.09Å; D296-R380 IonicContact OD2-NH2 3.08Å
297	L	88.1	Confident	85.4	Confident	61 Å²	61	54.8 Å²	54.8	32%	0.319	27%	0.274	S	S	.	.	H	α-helix	trans	-63.8	-46.3	174.2	-179.4	62.6	0	0	0	111.9	A293 V294 M295 R299 A300 M306 A309 I310 L313	A293-L297 VanDerWaalsContact O-CB 3.3Å; A293-L297 WeakPolarHBondContact O-CB 3.26Å; A293-L297 PolarHBondContact O-N 3.35Å; V294-L297 PolarHBondContact O-N 3.41Å; M295-L297 VanDerWaalsContact C-N 3.28Å; M295-L297 PolarHBondContact O-N 3.46Å; L297-R299 VanDerWaalsContact C-N 3.26Å; L297-R299 PolarHBondContact O-N 3.02Å; L297-A300 PolarHBondContact O-N 3.06Å; L297-M306 HydrophobicContact CD1-CG 3.67Å; L297-A309 HydrophobicContact CB-CB 3.93Å; L297-A309 HydrophobicContact CD1-CB 4.37Å; L297-I310 HydrophobicContact CD1-CD1 4.33Å; L297-I310 HydrophobicContact CD1-CG1 3.77Å; L297-L313 HydrophobicContact CB-CD1 3.87Å; L297-L313 HydrophobicContact CD2-CD1 3.46Å; L297-L313 VanDerWaalsContact CD2-CD1 3.46Å; L297-L313 HydrophobicContact CG-CD1 4.22Å
298	I	82.6	Confident	85.1	Confident	139 Å²	139	53.9 Å²	53.9	71%	0.713	27%	0.27	S	S	*	.	H	α-helix	trans	-63.5	-35.5	178.2	-67.6	165.5	0	0	0	111	V294 M295	V294-I298 HydrophobicContact CG1-CD1 4.05Å; V294-I298 VanDerWaalsContact O-CG1 3.31Å; V294-I298 WeakPolarHBondContact O-CG1 3.3Å; V294-I298 PolarHBondContact O-N 3.45Å; V294-I298 VanDerWaalsContact O-N 3.11Å; M295-I298 PolarHBondContact O-N 2.79Å
299	R	81.7	Confident	85.1	Confident	173 Å²	173	50.4 Å²	50.4	65%	0.653	25%	0.252	S	S	*	.	H	α-helix	trans	-90.7	-9.1	-176.2	-68.2	178.8	178.3	-166.9	-0.7	114	M295 D296 L297 K301	M295-R299 WeakPolarHBondContact O-CB 3.34Å; M295-R299 VanDerWaalsContact O-CG 3.32Å; M295-R299 WeakPolarHBondContact O-CG 3.46Å; M295-R299 PolarHBondContact O-N 3.03Å; D296-R299 PolarHBondContact O-N 2.79Å; L297-R299 VanDerWaalsContact C-N 3.26Å; L297-R299 PolarHBondContact O-N 3.02Å; R299-K301 WeakPolarHBondContact O-CD 3.01Å; R299-K301 WeakPolarHBondContact O-CE 3.45Å; R299-K301 WeakPolarHBondContact O-CG 3.3Å; R299-K301 PolarHBondContact O-N 3.3Å
300	A	85.1	Confident	85.2	Confident	20 Å²	20	53 Å²	53	17%	0.165	27%	0.265	C	S	.	.			trans	-53.6	128.4	-175	0	0	0	0	0	111.9	D296 L297 A305 M306	D296-A300 WeakPolarHBondContact O-CA 3.16Å; D296-A300 WeakPolarHBondContact O-CB 3.47Å; D296-A300 PolarHBondContact O-N 2.94Å; L297-A300 PolarHBondContact O-N 3.06Å; A300-A305 HydrophobicContact CB-CB 4.2Å; A300-M306 HydrophobicContact CB-CB 3.89Å
301	K	81.6	Confident	85	Confident	47 Å²	47	54 Å²	54	20%	0.204	27%	0.271	C	S	.	.			trans	-104.6	-9.3	-177.7	-56.4	-56.8	-175.3	175.9	0	113.9	R299 I409 Y424 P431	R299-K301 WeakPolarHBondContact O-CD 3.01Å; R299-K301 WeakPolarHBondContact O-CE 3.45Å; R299-K301 WeakPolarHBondContact O-CG 3.3Å; R299-K301 PolarHBondContact O-N 3.3Å; K301-I409 HydrophobicContact CD-CB 4.43Å; K301-I409 HydrophobicContact CD-CD1 4.06Å; K301-Y424 HydrophobicContact CB-CD1 4.4Å; K301-Y424 HydrophobicContact CD-CG 4.36Å; K301-Y424 HydrophobicContact CG-CD1 3.95Å; K301-Y424 HydrophobicContact CG-CE1 4.4Å; K301-Y424 HydrophobicContact CG-CG 3.99Å; K301-P431 HydrophobicContact CB-CB 4.18Å
302	T	81.2	Confident	84.9	Confident	6 Å²	6	53.7 Å²	53.7	4%	0.037	27%	0.268	C	S	.	.	S	Bend	trans	-139.4	156.6	177.9	73.1	0	0	0	0	110.5	R304 A305 M306 N426 G429 P431	T302-R304 PolarHBondContact O-N 2.91Å; T302-A305 PolarHBondContact O-N 3.32Å; T302-A305 VanDerWaalsContact O-N 3.14Å; T302-A305 PolarHBondContact OG1-N 3.06Å; T302-M306 PolarHBondContact O-N 3.12Å; T302-N426 HydrophobicContact CG2-CB 4Å; T302-N426 VanDerWaalsContact CG2-OD1 3.3Å; T302-N426 WeakPolarHBondContact CG2-OD1 3.28Å; T302-G429 WeakPolarHBondContact CB-O 3.36Å; T302-G429 WeakPolarHBondContact CG2-O 3.33Å; T302-G429 PolarHBondContact OG1-O 3.45Å; T302-G429 VanDerWaalsContact OG1-O 3.05Å; T302-P431 HydrophobicContact CG2-CB 3.8Å; T302-P431 HydrophobicContact CG2-CG 4.11Å
303	D	81.9	Confident	84.9	Confident	111 Å²	111	54.5 Å²	54.5	59%	0.594	27%	0.272	S	S	*	.	H	α-helix	trans	-58.6	-31.6	177.4	-66	-33.4	0	0	0	112.4	S307	D303-S307 WeakPolarHBondContact O-CB 3.3Å; D303-S307 PolarHBondContact O-N 2.88Å; D303-S307 PolarHBondContact O-OG 3.02Å
304	R	79.3	Confident	84.9	Confident	117 Å²	117	59.7 Å²	59.7	44%	0.442	30%	0.3	S	S	.	.	H	α-helix	trans	-69.4	-47.1	175.4	-75.8	-172.3	174.9	169.1	2.8	112	T302 M306 S307 V308 L379 F541	T302-R304 PolarHBondContact O-N 2.91Å; R304-M306 VanDerWaalsContact C-N 3.28Å; R304-M306 PolarHBondContact O-N 2.94Å; R304-S307 PolarHBondContact O-N 3.09Å; R304-V308 WeakPolarHBondContact O-CG2 3.3Å; R304-V308 PolarHBondContact O-N 2.9Å; R304-L379 HydrophobicContact CB-CD2 4.1Å; R304-F541 VanDerWaalsContact NH1-CE1 3.33Å
305	A	83.3	Confident	84.8	Confident	10 Å²	10	58.2 Å²	58.2	8%	0.083	29%	0.291	C	S	.	.	H	α-helix	trans	-60.2	-41.9	175.9	0	0	0	0	0	111.2	A300 T302 V308 A309 L379	A300-A305 HydrophobicContact CB-CB 4.2Å; T302-A305 PolarHBondContact O-N 3.32Å; T302-A305 VanDerWaalsContact O-N 3.14Å; T302-A305 PolarHBondContact OG1-N 3.06Å; A305-V308 PolarHBondContact O-N 3.45Å; A305-A309 PolarHBondContact O-N 3.36Å; A305-L379 HydrophobicContact CB-CB 4.41Å; A305-L379 VanDerWaalsContact CB-O 3.29Å; A305-L379 WeakPolarHBondContact CB-O 3.35Å
306	M	86	Confident	84.9	Confident	74 Å²	74	56.8 Å²	56.8	37%	0.365	29%	0.286	S	S	.	.	H	α-helix	trans	-60.5	-46.5	174.2	-175.8	-178	67	0	0	111.4	L297 A300 T302 R304 V308 A309 I310	L297-M306 HydrophobicContact CD1-CG 3.67Å; A300-M306 HydrophobicContact CB-CB 3.89Å; T302-M306 PolarHBondContact O-N 3.12Å; R304-M306 VanDerWaalsContact C-N 3.28Å; R304-M306 PolarHBondContact O-N 2.94Å; M306-V308 PolarHBondContact O-N 3.23Å; M306-A309 PolarHBondContact O-N 3.06Å; M306-I310 HydrophobicContact CG-CD1 3.97Å; M306-I310 WeakPolarHBondContact O-CG1 3.15Å; M306-I310 PolarHBondContact O-N 2.86Å
307	S	85.2	Confident	85	Confident	58 Å²	58	56.4 Å²	56.4	41%	0.406	28%	0.283	S	S	.	.	H	α-helix	trans	-61.6	-41.9	178.8	-59.2	0	0	0	0	112.1	D303 R304 I310 N311	D303-S307 WeakPolarHBondContact O-CB 3.3Å; D303-S307 PolarHBondContact O-N 2.88Å; D303-S307 PolarHBondContact O-OG 3.02Å; R304-S307 PolarHBondContact O-N 3.09Å; S307-I310 PolarHBondContact O-N 3.24Å; S307-N311 WeakPolarHBondContact O-CB 3.45Å; S307-N311 VanDerWaalsContact O-CG 3.23Å; S307-N311 PolarHBondContact O-N 2.83Å; S307-N311 PolarHBondContact O-ND2 2.78Å
308	V	83.5	Confident	84.9	Confident	19 Å²	19	54 Å²	54	12%	0.115	27%	0.272	C	S	.	.	H	α-helix	trans	-61.8	-45.1	174.9	170.8	0	0	0	0	111	R304 A305 M306 N311 Q312 L379 Y552	R304-V308 WeakPolarHBondContact O-CG2 3.3Å; R304-V308 PolarHBondContact O-N 2.9Å; A305-V308 PolarHBondContact O-N 3.45Å; M306-V308 PolarHBondContact O-N 3.23Å; V308-N311 PolarHBondContact O-N 3.07Å; V308-Q312 WeakPolarHBondContact O-CB 3.46Å; V308-Q312 PolarHBondContact O-N 2.83Å; V308-L379 HydrophobicContact CG2-CD1 4.17Å; V308-Y552 HydrophobicContact CG2-CD2 3.69Å; V308-Y552 HydrophobicContact CG2-CE2 4.41Å; V308-Y552 HydrophobicContact CG2-CG 4.08Å
309	A	86.5	Confident	85.3	Confident	3 Å²	3	52.3 Å²	52.3	3%	0.025	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-40.8	178.1	0	0	0	0	0	112.5	D296 L297 A305 M306 Q312 L313	D296-A309 HydrophobicContact CB-CB 4.04Å; L297-A309 HydrophobicContact CB-CB 3.93Å; L297-A309 HydrophobicContact CD1-CB 4.37Å; A305-A309 PolarHBondContact O-N 3.36Å; M306-A309 PolarHBondContact O-N 3.06Å; A309-Q312 PolarHBondContact O-N 2.95Å; A309-L313 WeakPolarHBondContact O-CB 3.48Å; A309-L313 WeakPolarHBondContact O-CG 3.36Å; A309-L313 PolarHBondContact O-N 3.25Å
310	I	89.7	Confident	85.5	Confident	65 Å²	65	45.4 Å²	45.4	33%	0.333	24%	0.236	S	C	.	.	H	α-helix	trans	-61.4	-49	174.3	-69.3	169.8	0	0	0	110.5	L297 M306 S307 Q312 L313 D314	L297-I310 HydrophobicContact CD1-CD1 4.33Å; L297-I310 HydrophobicContact CD1-CG1 3.77Å; M306-I310 HydrophobicContact CG-CD1 3.97Å; M306-I310 WeakPolarHBondContact O-CG1 3.15Å; M306-I310 PolarHBondContact O-N 2.86Å; S307-I310 PolarHBondContact O-N 3.24Å; I310-Q312 VanDerWaalsContact C-N 3.27Å; I310-Q312 PolarHBondContact O-N 3.2Å; I310-L313 WeakPolarHBondContact O-CB 3.42Å; I310-L313 PolarHBondContact O-N 3.16Å; I310-L313 VanDerWaalsContact O-N 3.12Å; I310-D314 PolarHBondContact O-N 2.86Å
311	N	86.5	Confident	85.8	Confident	54 Å²	54	47.8 Å²	47.8	29%	0.289	25%	0.246	S	C	.	.	H	α-helix	trans	-60.5	-36.9	179.2	-75.4	-12.9	0	0	0	112.4	S307 V308 G315 N316	S307-N311 WeakPolarHBondContact O-CB 3.45Å; S307-N311 VanDerWaalsContact O-CG 3.23Å; S307-N311 PolarHBondContact O-N 2.83Å; S307-N311 PolarHBondContact O-ND2 2.78Å; V308-N311 PolarHBondContact O-N 3.07Å; N311-G315 PolarHBondContact O-N 2.8Å; N311-N316 VanDerWaalsContact O-CB 3.3Å; N311-N316 WeakPolarHBondContact O-CB 3.29Å; N311-N316 VanDerWaalsContact O-CG 3.29Å; N311-N316 PolarHBondContact O-N 3.21Å; N311-N316 VanDerWaalsContact O-N 3.15Å
312	Q	86.7	Confident	86.2	Confident	6 Å²	6	51 Å²	51	3%	0.028	26%	0.256	C	S	.	.	H	α-helix	trans	-73.4	-37.5	175.3	-170.2	177.5	-26.5	0	0	111.9	S289 A293 V308 A309 I310 D314 G315 L317	S289-Q312 PolarHBondContact O-NE2 2.96Å; A293-Q312 HydrophobicContact CB-CB 3.78Å; A293-Q312 HydrophobicContact CB-CG 3.77Å; V308-Q312 WeakPolarHBondContact O-CB 3.46Å; V308-Q312 PolarHBondContact O-N 2.83Å; A309-Q312 PolarHBondContact O-N 2.95Å; I310-Q312 VanDerWaalsContact C-N 3.27Å; I310-Q312 PolarHBondContact O-N 3.2Å; Q312-D314 VanDerWaalsContact C-N 3.29Å; Q312-D314 PolarHBondContact O-N 3.39Å; Q312-G315 WeakPolarHBondContact O-CA 3.23Å; Q312-G315 PolarHBondContact O-N 2.92Å; Q312-L317 HydrophobicContact CG-CB 4.4Å
313	L	87.6	Confident	86.7	Confident	41 Å²	41	58.2 Å²	58.2	22%	0.215	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-38.5	171.2	-84.6	165.7	0	0	0	112.3	Q290 A293 V294 L297 A309 I310 G315	Q290-L313 PolarHBondContact NE2-O 2.72Å; Q290-L313 VanDerWaalsContact O-CD2 3.26Å; Q290-L313 WeakPolarHBondContact O-CD2 3.31Å; A293-L313 HydrophobicContact CB-CB 4.43Å; A293-L313 HydrophobicContact CB-CD2 4.09Å; A293-L313 HydrophobicContact CB-CG 3.66Å; V294-L313 HydrophobicContact CB-CD2 4.33Å; V294-L313 HydrophobicContact CG2-CD2 3.49Å; V294-L313 VanDerWaalsContact CG2-CD2 3.49Å; L297-L313 HydrophobicContact CB-CD1 3.87Å; L297-L313 HydrophobicContact CD2-CD1 3.46Å; L297-L313 VanDerWaalsContact CD2-CD1 3.46Å; L297-L313 HydrophobicContact CG-CD1 4.22Å; A309-L313 WeakPolarHBondContact O-CB 3.48Å; A309-L313 WeakPolarHBondContact O-CG 3.36Å; A309-L313 PolarHBondContact O-N 3.25Å; I310-L313 WeakPolarHBondContact O-CB 3.42Å; I310-L313 PolarHBondContact O-N 3.16Å; I310-L313 VanDerWaalsContact O-N 3.12Å; L313-G315 PolarHBondContact O-N 3Å
314	D	88.7	Confident	87.2	Confident	108 Å²	108	53.4 Å²	53.4	58%	0.578	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-9	174.5	-73.9	-19.1	0	0	0	112.9	I310 Q312	I310-D314 PolarHBondContact O-N 2.86Å; Q312-D314 VanDerWaalsContact C-N 3.29Å; Q312-D314 PolarHBondContact O-N 3.39Å
315	G	87.3	Confident	87.8	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.01	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.5	16.2	171	0	0	0	0	0	114.7	N311 Q312 L313 L317 S318 H319	N311-G315 PolarHBondContact O-N 2.8Å; Q312-G315 WeakPolarHBondContact O-CA 3.23Å; Q312-G315 PolarHBondContact O-N 2.92Å; L313-G315 PolarHBondContact O-N 3Å; G315-L317 PolarHBondContact O-N 3.14Å; G315-S318 CarbonylContact O-C 3.57Å; G315-S318 WeakPolarHBondContact O-CB 3.4Å; G315-S318 PolarHBondContact O-N 3.37Å; G315-S318 VanDerWaalsContact O-N 3.08Å; G315-H319 PolarHBondContact O-CD2 2.7Å; G315-H319 PolarHBondContact O-N 2.71Å
316	N	85.8	Confident	88.2	Confident	63 Å²	63	58.5 Å²	58.5	34%	0.337	28%	0.278	S	S	.	.	H	α-helix	trans	-53.4	-50.8	-177.4	-78.8	-2.1	0	0	0	112.9	N311 S318 H319 L320	N311-N316 VanDerWaalsContact O-CB 3.3Å; N311-N316 WeakPolarHBondContact O-CB 3.29Å; N311-N316 VanDerWaalsContact O-CG 3.29Å; N311-N316 PolarHBondContact O-N 3.21Å; N311-N316 VanDerWaalsContact O-N 3.15Å; N316-S318 VanDerWaalsContact C-N 3.34Å; N316-S318 PolarHBondContact O-N 2.94Å; N316-H319 PolarHBondContact O-N 3.19Å; N316-L320 PolarHBondContact O-N 3.2Å; N316-L320 VanDerWaalsContact O-N 3.09Å
317	L	86.9	Confident	88.4	Confident	8 Å²	8	56.6 Å²	56.6	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-45.1	177	-177.2	59.6	0	0	0	110.7	Q312 G315 H319 L320 I321 V553	Q312-L317 HydrophobicContact CG-CB 4.4Å; G315-L317 PolarHBondContact O-N 3.14Å; L317-H319 PolarHBondContact O-N 3.34Å; L317-L320 PolarHBondContact O-N 3.04Å; L317-I321 HydrophobicContact CD1-CD1 4.3Å; L317-I321 HydrophobicContact CD1-CG1 3.97Å; L317-I321 HydrophobicContact CG-CG1 4.23Å; L317-I321 VanDerWaalsContact O-CG1 3.31Å; L317-I321 WeakPolarHBondContact O-CG1 3.34Å; L317-I321 PolarHBondContact O-N 3.43Å; L317-V553 HydrophobicContact CD1-CG2 4.15Å
318	S	86.8	Confident	88.6	Confident	11 Å²	11	57.6 Å²	57.6	8%	0.077	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-42.3	179.6	-43.8	0	0	0	0	113.3	D287 S289 G315 N316 R322	D287-S318 PolarHBondContact OD1-OG 3.41Å; D287-S318 VanDerWaalsContact OD1-OG 3.13Å; D287-S318 WeakPolarHBondContact OD2-CB 3.47Å; D287-S318 PolarHBondContact OD2-OG 3Å; S289-S318 PolarHBondContact OG-OG 2.9Å; G315-S318 CarbonylContact O-C 3.57Å; G315-S318 WeakPolarHBondContact O-CB 3.4Å; G315-S318 PolarHBondContact O-N 3.37Å; G315-S318 VanDerWaalsContact O-N 3.08Å; N316-S318 VanDerWaalsContact C-N 3.34Å; N316-S318 PolarHBondContact O-N 2.94Å; S318-R322 WeakPolarHBondContact O-CB 3.49Å; S318-R322 PolarHBondContact O-N 3.38Å
319	H	89.1	Confident	88.9	Confident	104 Å²	104	60.6 Å²	60.6	48%	0.481	28%	0.283	S	S	.	.	H	α-helix	trans	-66.1	-40.7	177.2	-72.8	-61.9	0	0	0	111.6	G315 N316 L317 R322 R323	G315-H319 PolarHBondContact O-CD2 2.7Å; G315-H319 PolarHBondContact O-N 2.71Å; N316-H319 PolarHBondContact O-N 3.19Å; L317-H319 PolarHBondContact O-N 3.34Å; H319-R322 PolarHBondContact ND1-NH1 3.23Å; H319-R322 VanDerWaalsContact ND1-NH1 3.18Å; H319-R323 PolarHBondContact O-N 3.14Å; H319-R323 VanDerWaalsContact O-N 3.09Å
320	L	87.8	Confident	88.9	Confident	27 Å²	27	65.9 Å²	65.9	14%	0.141	31%	0.308	C	S	.	.	H	α-helix	trans	-65.4	-51.4	176.5	-176.9	62.7	0	0	0	111.4	N316 L317 R322 R323 L324 L369	N316-L320 PolarHBondContact O-N 3.2Å; N316-L320 VanDerWaalsContact O-N 3.09Å; L317-L320 PolarHBondContact O-N 3.04Å; L320-R322 VanDerWaalsContact C-N 3.3Å; L320-R322 PolarHBondContact O-N 3.41Å; L320-R323 WeakPolarHBondContact O-CB 3.3Å; L320-R323 PolarHBondContact O-N 3.05Å; L320-R323 VanDerWaalsContact O-N 3.1Å; L320-L324 HydrophobicContact CG-CD1 4.47Å; L320-L324 WeakPolarHBondContact O-CG 3.44Å; L320-L324 PolarHBondContact O-N 3.35Å; L320-L369 HydrophobicContact CD2-CD1 3.69Å; L320-L369 HydrophobicContact CD2-CD2 3.59Å; L320-L369 HydrophobicContact CD2-CG 3.98Å
321	I	90.5	Very high	88.6	Confident	70 Å²	70	63.4 Å²	63.4	36%	0.359	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-39.7	178.6	-63.4	-58.8	0	0	0	111.3	L317 R323 L324 R325 L562	L317-I321 HydrophobicContact CD1-CD1 4.3Å; L317-I321 HydrophobicContact CD1-CG1 3.97Å; L317-I321 HydrophobicContact CG-CG1 4.23Å; L317-I321 VanDerWaalsContact O-CG1 3.31Å; L317-I321 WeakPolarHBondContact O-CG1 3.34Å; L317-I321 PolarHBondContact O-N 3.43Å; I321-R323 VanDerWaalsContact C-N 3.3Å; I321-R323 PolarHBondContact O-N 2.95Å; I321-L324 PolarHBondContact O-N 3.47Å; I321-R325 VanDerWaalsContact O-CB 3.23Å; I321-R325 WeakPolarHBondContact O-CB 3.37Å; I321-R325 PolarHBondContact O-N 2.87Å; I321-L562 HydrophobicContact CD1-CD2 4.05Å
322	R	89.9	Confident	88.6	Confident	114 Å²	114	64.7 Å²	64.7	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-38.3	176.5	-168.9	-177.8	-58.8	111	1.2	111.8	S318 H319 L320 Q326	S318-R322 WeakPolarHBondContact O-CB 3.49Å; S318-R322 PolarHBondContact O-N 3.38Å; H319-R322 PolarHBondContact ND1-NH1 3.23Å; H319-R322 VanDerWaalsContact ND1-NH1 3.18Å; L320-R322 VanDerWaalsContact C-N 3.3Å; L320-R322 PolarHBondContact O-N 3.41Å; R322-Q326 WeakPolarHBondContact O-CB 3.41Å; R322-Q326 PolarHBondContact O-N 2.96Å
323	R	91.7	Very high	88.4	Confident	159 Å²	159	66.6 Å²	66.6	60%	0.6	32%	0.319	S	S	*	.	H	α-helix	trans	-65.8	-51	175.4	-173.3	-173.5	-56.7	169.4	3.5	111.4	H319 L320 I321 R325 Q326 E327	H319-R323 PolarHBondContact O-N 3.14Å; H319-R323 VanDerWaalsContact O-N 3.09Å; L320-R323 WeakPolarHBondContact O-CB 3.3Å; L320-R323 PolarHBondContact O-N 3.05Å; L320-R323 VanDerWaalsContact O-N 3.1Å; I321-R323 VanDerWaalsContact C-N 3.3Å; I321-R323 PolarHBondContact O-N 2.95Å; R323-R325 VanDerWaalsContact C-N 3.29Å; R323-R325 PolarHBondContact O-N 3.39Å; R323-Q326 WeakPolarHBondContact O-CB 3.37Å; R323-Q326 PolarHBondContact O-N 3.1Å; R323-Q326 VanDerWaalsContact O-N 3.08Å; R323-E327 PolarHBondContact O-N 2.85Å
324	L	91.7	Very high	87.9	Confident	9 Å²	9	68.5 Å²	68.5	5%	0.047	33%	0.326	C	S	.	.	H	α-helix	trans	-59.5	-42.4	177.9	-62.9	-179.6	0	0	0	111.4	L320 I321 Q326 E327 I328 V362 Q365 I366	L320-L324 HydrophobicContact CG-CD1 4.47Å; L320-L324 WeakPolarHBondContact O-CG 3.44Å; L320-L324 PolarHBondContact O-N 3.35Å; I321-L324 PolarHBondContact O-N 3.47Å; L324-Q326 VanDerWaalsContact C-N 3.32Å; L324-Q326 PolarHBondContact O-N 3.09Å; L324-E327 PolarHBondContact O-N 3.23Å; L324-I328 WeakPolarHBondContact O-CG1 3.49Å; L324-I328 PolarHBondContact O-N 3.44Å; L324-V362 HydrophobicContact CB-CG1 4.4Å; L324-V362 HydrophobicContact CD2-CG1 4.28Å; L324-Q365 HydrophobicContact CD1-CB 4.21Å; L324-Q365 HydrophobicContact CD2-CB 3.77Å; L324-Q365 HydrophobicContact CD2-CG 3.95Å; L324-I366 HydrophobicContact CD1-CG1 4.45Å
325	R	93	Very high	87.3	Confident	145 Å²	145	64.7 Å²	64.7	55%	0.547	31%	0.307	S	S	.	.	H	α-helix	trans	-60.8	-41.9	174.8	-173.6	-176.3	68.9	175.8	5.8	111.8	I321 R323 I328 L329	I321-R325 VanDerWaalsContact O-CB 3.23Å; I321-R325 WeakPolarHBondContact O-CB 3.37Å; I321-R325 PolarHBondContact O-N 2.87Å; R323-R325 VanDerWaalsContact C-N 3.29Å; R323-R325 PolarHBondContact O-N 3.39Å; R325-I328 PolarHBondContact O-N 3.41Å; R325-L329 HydrophobicContact CG-CD1 4.04Å; R325-L329 HydrophobicContact CG-CG 4.41Å; R325-L329 WeakPolarHBondContact O-CB 3.33Å; R325-L329 VanDerWaalsContact O-CG 3.3Å; R325-L329 WeakPolarHBondContact O-CG 3.34Å; R325-L329 PolarHBondContact O-N 3.36Å
326	Q	91.4	Very high	86.7	Confident	90 Å²	90	69.5 Å²	69.5	42%	0.421	33%	0.33	S	S	.	.	H	α-helix	trans	-63.5	-43.7	177.5	-174.4	62.2	35.7	0	0	111.2	R322 R323 L324 I328 L329 E330	R322-Q326 WeakPolarHBondContact O-CB 3.41Å; R322-Q326 PolarHBondContact O-N 2.96Å; R323-Q326 WeakPolarHBondContact O-CB 3.37Å; R323-Q326 PolarHBondContact O-N 3.1Å; R323-Q326 VanDerWaalsContact O-N 3.08Å; L324-Q326 VanDerWaalsContact C-N 3.32Å; L324-Q326 PolarHBondContact O-N 3.09Å; Q326-I328 VanDerWaalsContact C-N 3.33Å; Q326-I328 PolarHBondContact O-N 3.09Å; Q326-L329 PolarHBondContact O-N 2.9Å; Q326-E330 WeakPolarHBondContact CG-OE1 3.3Å; Q326-E330 PolarHBondContact NE2-OE1 3.43Å; Q326-E330 WeakPolarHBondContact O-CB 3.36Å; Q326-E330 WeakPolarHBondContact O-CG 3.26Å; Q326-E330 PolarHBondContact O-N 3.37Å
327	E	89.3	Confident	86	Confident	34 Å²	34	69.9 Å²	69.9	16%	0.159	33%	0.334	C	S	.	.	H	α-helix	trans	-60.5	-41.5	175.5	-69.8	177.5	-165.3	0	0	111.9	R323 L324 T331 Q361 V362	R323-E327 PolarHBondContact O-N 2.85Å; L324-E327 PolarHBondContact O-N 3.23Å; E327-T331 WeakPolarHBondContact O-CB 3.39Å; E327-T331 PolarHBondContact O-N 2.89Å; E327-T331 PolarHBondContact O-OG1 3.08Å; E327-Q361 PolarHBondContact OE2-NE2 2.97Å; E327-V362 HydrophobicContact CB-CG2 4.41Å
328	I	89.9	Confident	85	Confident	79 Å²	79	70.4 Å²	70.4	41%	0.405	34%	0.337	S	S	.	.	H	α-helix	trans	-64.5	-45.9	175.2	-66.3	166.1	0	0	0	110.8	L324 R325 Q326 T331 L332 V362	L324-I328 WeakPolarHBondContact O-CG1 3.49Å; L324-I328 PolarHBondContact O-N 3.44Å; R325-I328 PolarHBondContact O-N 3.41Å; Q326-I328 VanDerWaalsContact C-N 3.33Å; Q326-I328 PolarHBondContact O-N 3.09Å; I328-T331 PolarHBondContact O-N 2.96Å; I328-L332 WeakPolarHBondContact O-CB 3.44Å; I328-L332 PolarHBondContact O-N 2.89Å; I328-V362 HydrophobicContact CD1-CG1 4.15Å; I328-V362 HydrophobicContact CG1-CG1 4.37Å; I328-V362 HydrophobicContact CG1-CG2 4.36Å
329	L	89.4	Confident	83.9	Confident	81 Å²	81	75.5 Å²	75.5	42%	0.424	36%	0.362	S	S	.	.	H	α-helix	trans	-64.5	-40	-179.6	-75.3	170.7	0	0	0	112.3	R325 Q326 T331 L332 A333	R325-L329 HydrophobicContact CG-CD1 4.04Å; R325-L329 HydrophobicContact CG-CG 4.41Å; R325-L329 WeakPolarHBondContact O-CB 3.33Å; R325-L329 VanDerWaalsContact O-CG 3.3Å; R325-L329 WeakPolarHBondContact O-CG 3.34Å; R325-L329 PolarHBondContact O-N 3.36Å; Q326-L329 PolarHBondContact O-N 2.9Å; L329-T331 VanDerWaalsContact C-N 3.35Å; L329-L332 PolarHBondContact O-N 3.07Å; L329-A333 WeakPolarHBondContact O-CB 3.48Å; L329-A333 PolarHBondContact O-N 2.96Å
330	E	87	Confident	82.9	Confident	115 Å²	115	76 Å²	76	54%	0.537	37%	0.368	S	S	.	.	H	α-helix	trans	-64.4	-41.4	175	-74.7	169.5	-170.3	0	0	111.6	Q326 Q334	Q326-E330 WeakPolarHBondContact CG-OE1 3.3Å; Q326-E330 PolarHBondContact NE2-OE1 3.43Å; Q326-E330 WeakPolarHBondContact O-CB 3.36Å; Q326-E330 WeakPolarHBondContact O-CG 3.26Å; Q326-E330 PolarHBondContact O-N 3.37Å; E330-Q334 PolarHBondContact O-N 3.17Å; E330-Q334 VanDerWaalsContact O-N 3.09Å
331	T	84.6	Confident	81.8	Confident	12 Å²	12	81.5 Å²	81.5	7%	0.074	39%	0.388	C	S	.	.	H	α-helix	trans	-65.3	-43.9	175.4	-51.2	0	0	0	0	110.8	E327 I328 L329 Q334 V335 L354 L355 K358	E327-T331 WeakPolarHBondContact O-CB 3.39Å; E327-T331 PolarHBondContact O-N 2.89Å; E327-T331 PolarHBondContact O-OG1 3.08Å; I328-T331 PolarHBondContact O-N 2.96Å; L329-T331 VanDerWaalsContact C-N 3.35Å; T331-Q334 WeakPolarHBondContact O-CB 3.26Å; T331-Q334 PolarHBondContact O-N 2.91Å; T331-V335 WeakPolarHBondContact O-CG2 3.4Å; T331-V335 PolarHBondContact O-N 3.38Å; T331-L354 HydrophobicContact CG2-CG 4.39Å; T331-L355 HydrophobicContact CG2-CD2 3.74Å; T331-L355 HydrophobicContact CG2-CG 4.32Å; T331-K358 HydrophobicContact CG2-CB 4.08Å; T331-K358 HydrophobicContact CG2-CG 4.19Å; T331-K358 WeakPolarHBondContact OG1-CG 3.47Å
332	L	85.1	Confident	80.1	Confident	81 Å²	81	82.5 Å²	82.5	42%	0.424	40%	0.399	S	S	.	.	H	α-helix	trans	-61.8	-45.9	177.6	180	63.6	0	0	0	111.4	I328 L329 Q334 V335 E336	I328-L332 WeakPolarHBondContact O-CB 3.44Å; I328-L332 PolarHBondContact O-N 2.89Å; L329-L332 PolarHBondContact O-N 3.07Å; L332-Q334 VanDerWaalsContact C-N 3.25Å; L332-Q334 PolarHBondContact O-N 3.44Å; L332-V335 CarbonylContact O-C 3.34Å; L332-V335 WeakPolarHBondContact O-CA 3.36Å; L332-V335 WeakPolarHBondContact O-CB 3.21Å; L332-V335 PolarHBondContact O-N 3.45Å; L332-E336 HydrophobicContact CD1-CG 4.5Å; L332-E336 HydrophobicContact CG-CG 4.49Å; L332-E336 WeakPolarHBondContact O-CG 3.5Å; L332-E336 PolarHBondContact O-N 3.26Å
333	A	83.1	Confident	78.3	Confident	47 Å²	47	85.2 Å²	85.2	39%	0.388	42%	0.417	S	S	.	.	H	α-helix	trans	-58.8	-39.5	176.1	0	0	0	0	0	111.5	L329 V335 E336 V337	L329-A333 WeakPolarHBondContact O-CB 3.48Å; L329-A333 PolarHBondContact O-N 2.96Å; A333-V335 VanDerWaalsContact C-N 3.33Å; A333-V335 PolarHBondContact O-N 3.45Å; A333-E336 PolarHBondContact O-N 2.89Å; A333-V337 VanDerWaalsContact O-CG2 3.28Å; A333-V337 WeakPolarHBondContact O-CG2 3.29Å; A333-V337 PolarHBondContact O-N 2.97Å
334	Q	76.8	Confident	76.6	Confident	80 Å²	80	85.3 Å²	85.3	37%	0.374	42%	0.418	S	S	.	.	H	α-helix	trans	-65.6	-37.1	175.4	-169.7	61.3	69.1	0	0	112.2	E330 T331 L332 N338 L354	E330-Q334 PolarHBondContact O-N 3.17Å; E330-Q334 VanDerWaalsContact O-N 3.09Å; T331-Q334 WeakPolarHBondContact O-CB 3.26Å; T331-Q334 PolarHBondContact O-N 2.91Å; L332-Q334 VanDerWaalsContact C-N 3.25Å; L332-Q334 PolarHBondContact O-N 3.44Å; Q334-N338 VanDerWaalsContact O-CG 3.27Å; Q334-N338 PolarHBondContact O-N 3.18Å; Q334-N338 PolarHBondContact O-ND2 2.77Å; Q334-N338 PolarHBondContact O-OD1 2.99Å; Q334-L354 HydrophobicContact CB-CD2 4Å; Q334-L354 HydrophobicContact CG-CD2 3.69Å
335	V	76.2	Confident	74.4	Confident	29 Å²	29	90.5 Å²	90.5	18%	0.176	45%	0.446	C	S	.	.	H	α-helix	trans	-67.7	-45.5	175.1	174.6	0	0	0	0	111.4	T331 L332 A333 V337 N338 I339 T351 L355	T331-V335 WeakPolarHBondContact O-CG2 3.4Å; T331-V335 PolarHBondContact O-N 3.38Å; L332-V335 CarbonylContact O-C 3.34Å; L332-V335 WeakPolarHBondContact O-CA 3.36Å; L332-V335 WeakPolarHBondContact O-CB 3.21Å; L332-V335 PolarHBondContact O-N 3.45Å; A333-V335 VanDerWaalsContact C-N 3.33Å; A333-V335 PolarHBondContact O-N 3.45Å; V335-V337 VanDerWaalsContact C-N 3.29Å; V335-V337 PolarHBondContact O-N 2.95Å; V335-N338 WeakPolarHBondContact O-CB 3.33Å; V335-N338 PolarHBondContact O-N 2.9Å; V335-I339 HydrophobicContact CG1-CD1 3.97Å; V335-I339 HydrophobicContact CG1-CG1 4.42Å; V335-I339 WeakPolarHBondContact O-CG1 3.06Å; V335-I339 PolarHBondContact O-N 3.32Å; V335-T351 HydrophobicContact CB-CG2 4.4Å; V335-T351 HydrophobicContact CG2-CG2 3.64Å; V335-L355 HydrophobicContact CG2-CD1 3.76Å; V335-L355 HydrophobicContact CG2-CD2 3.79Å; V335-L355 HydrophobicContact CG2-CG 3.77Å
336	E	75.6	Confident	72.4	Confident	102 Å²	102	89.8 Å²	89.8	48%	0.477	45%	0.453	S	S	.	.	H	α-helix	trans	-57	-43	176.8	-75.9	177.3	169.1	0	0	111.3	L332 A333 N338 I339 D340	L332-E336 HydrophobicContact CD1-CG 4.5Å; L332-E336 HydrophobicContact CG-CG 4.49Å; L332-E336 WeakPolarHBondContact O-CG 3.5Å; L332-E336 PolarHBondContact O-N 3.26Å; A333-E336 PolarHBondContact O-N 2.89Å; E336-N338 PolarHBondContact O-N 3.37Å; E336-I339 PolarHBondContact O-N 3.26Å; E336-I339 VanDerWaalsContact O-N 3.11Å; E336-D340 PolarHBondContact O-N 3.3Å
337	V	70.4	Confident	70.6	Confident	70 Å²	70	87.4 Å²	87.4	42%	0.424	44%	0.444	S	S	.	.	H	α-helix	trans	-56.5	-35.9	174.4	168.9	0	0	0	0	112	A333 V335 Y341	A333-V337 VanDerWaalsContact O-CG2 3.28Å; A333-V337 WeakPolarHBondContact O-CG2 3.29Å; A333-V337 PolarHBondContact O-N 2.97Å; V335-V337 VanDerWaalsContact C-N 3.29Å; V335-V337 PolarHBondContact O-N 2.95Å; V337-Y341 HydrophobicContact CG1-CD2 4.34Å; V337-Y341 WeakPolarHBondContact O-CB 3.39Å; V337-Y341 VanDerWaalsContact O-CD2 3.31Å; V337-Y341 WeakPolarHBondContact O-CD2 3.39Å; V337-Y341 PolarHBondContact O-N 3.05Å
338	N	66.2	Low	69	Low	20 Å²	20	91 Å²	91	11%	0.107	46%	0.461	C	S	.	.	H	α-helix	trans	-80	-31.4	178.8	-48.8	-36.1	0	0	0	113.1	Q334 V335 E336 D340 Y341 P342 V347 T351	Q334-N338 VanDerWaalsContact O-CG 3.27Å; Q334-N338 PolarHBondContact O-N 3.18Å; Q334-N338 PolarHBondContact O-ND2 2.77Å; Q334-N338 PolarHBondContact O-OD1 2.99Å; V335-N338 WeakPolarHBondContact O-CB 3.33Å; V335-N338 PolarHBondContact O-N 2.9Å; E336-N338 PolarHBondContact O-N 3.37Å; N338-D340 VanDerWaalsContact C-N 3.26Å; N338-Y341 CarbonylContact O-C 3.59Å; N338-P342 WeakPolarHBondContact O-CA 3.49Å; N338-V347 WeakPolarHBondContact OD1-CG1 3.44Å; N338-T351 WeakPolarHBondContact ND2-CB 3.47Å; N338-T351 WeakPolarHBondContact ND2-CG2 3.38Å; N338-T351 PolarHBondContact ND2-OG1 3.46Å
339	I	63.3	Low	67.2	Low	117 Å²	117	91.9 Å²	91.9	60%	0.6	46%	0.464	S	S	*	.	H	α-helix	trans	-63	-41.7	173.5	-67	171.9	0	0	0	108.9	V335 E336	V335-I339 HydrophobicContact CG1-CD1 3.97Å; V335-I339 HydrophobicContact CG1-CG1 4.42Å; V335-I339 WeakPolarHBondContact O-CG1 3.06Å; V335-I339 PolarHBondContact O-N 3.32Å; E336-I339 PolarHBondContact O-N 3.26Å; E336-I339 VanDerWaalsContact O-N 3.11Å
340	D	68.1	Low	65.7	Low	116 Å²	116	93.2 Å²	93.2	62%	0.62	47%	0.471	S	S	*	.	H	α-helix	trans	-76.6	-32.1	-179.8	-71.7	-15.7	0	0	0	113.1	E336 N338 P342	E336-D340 PolarHBondContact O-N 3.3Å; N338-D340 VanDerWaalsContact C-N 3.26Å; D340-P342 VanDerWaalsContact C-CD 3.47Å
341	Y	64.4	Low	65	Low	141 Å²	141	88.1 Å²	88.1	55%	0.553	45%	0.448	S	S	*	.			trans	-128.5	63.6	-176.5	-55	-80.3	0	0	0	113.2	V337 N338 E343	V337-Y341 HydrophobicContact CG1-CD2 4.34Å; V337-Y341 WeakPolarHBondContact O-CB 3.39Å; V337-Y341 VanDerWaalsContact O-CD2 3.31Å; V337-Y341 WeakPolarHBondContact O-CD2 3.39Å; V337-Y341 PolarHBondContact O-N 3.05Å; N338-Y341 CarbonylContact O-C 3.59Å; Y341-E343 PolarHBondContact O-N 3.42Å; Y341-E343 VanDerWaalsContact O-N 3.1Å
342	P	54.1	Low	64.2	Low	91 Å²	91	89.7 Å²	89.7	59%	0.591	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-7.7	-176.4	29.3	-36.2	0	0	0	114	N338 D340 Y344	N338-P342 WeakPolarHBondContact O-CA 3.49Å; D340-P342 VanDerWaalsContact C-CD 3.47Å; P342-Y344 PolarHBondContact O-N 2.92Å
343	E	53.2	Low	63.4	Low	172 Å²	172	91.9 Å²	91.9	80%	0.804	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.4	-173.9	-48.6	-171	-135.1	0	0	113.8	Y341 D345	Y341-E343 PolarHBondContact O-N 3.42Å; Y341-E343 VanDerWaalsContact O-N 3.1Å; E343-D345 PolarHBondContact O-N 3.5Å
344	Y	55.7	Low	63.2	Low	161 Å²	161	92 Å²	92	63%	0.631	46%	0.459	S	S	*	.			trans	-90.8	103.1	-179.4	-68.8	-85	0	0	0	110.7	P342 D346 V347	P342-Y344 PolarHBondContact O-N 2.92Å; Y344-D346 VanDerWaalsContact C-N 3.29Å; Y344-D346 PolarHBondContact O-N 2.66Å; Y344-D346 VanDerWaalsContact O-N 3.11Å; Y344-V347 VanDerWaalsContact CB-CG2 3.41Å; Y344-V347 HydrophobicContact CG-CG2 4.49Å; Y344-V347 WeakPolarHBondContact O-CG2 3.39Å; Y344-V347 PolarHBondContact O-N 2.76Å; Y344-V347 VanDerWaalsContact O-N 3.13Å
345	D	46.2	Very low	63.5	Low	117 Å²	117	90.3 Å²	90.3	63%	0.626	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-36	-170.3	-80.7	-40.3	0	0	0	115.7	E343 K721	E343-D345 PolarHBondContact O-N 3.5Å; D345-K721 IonicContact OD1-NZ 3.46Å; D345-K721 PolarHBondContact OD1-NZ 3.49Å
346	D	49.7	Very low	63.6	Low	131 Å²	131	90.7 Å²	90.7	70%	0.701	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-11.8	-174	-64.3	-27.3	0	0	0	113.5	Y344 L350	Y344-D346 VanDerWaalsContact C-N 3.29Å; Y344-D346 PolarHBondContact O-N 2.66Å; Y344-D346 VanDerWaalsContact O-N 3.11Å; D346-L350 VanDerWaalsContact O-CD1 3.29Å; D346-L350 WeakPolarHBondContact O-CD1 3.42Å; D346-L350 VanDerWaalsContact O-CG 3.32Å; D346-L350 WeakPolarHBondContact O-CG 3.26Å
347	V	54.7	Low	64	Low	39 Å²	39	91.4 Å²	91.4	24%	0.236	46%	0.457	C	S	.	.	H	α-helix	trans	-83.8	-28	-165.2	-156.5	0	0	0	0	112.2	N338 Y344 T351	N338-V347 WeakPolarHBondContact OD1-CG1 3.44Å; Y344-V347 VanDerWaalsContact CB-CG2 3.41Å; Y344-V347 HydrophobicContact CG-CG2 4.49Å; Y344-V347 WeakPolarHBondContact O-CG2 3.39Å; Y344-V347 PolarHBondContact O-N 2.76Å; Y344-V347 VanDerWaalsContact O-N 3.13Å; V347-T351 VanDerWaalsContact O-CB 3.29Å; V347-T351 WeakPolarHBondContact O-CB 3.49Å; V347-T351 PolarHBondContact O-N 3.41Å; V347-T351 PolarHBondContact O-OG1 2.89Å
348	E	54.8	Low	64.8	Low	109 Å²	109	90.4 Å²	90.4	51%	0.509	45%	0.447	S	S	.	.	H	α-helix	trans	-72.6	-44.3	-176.9	-163.5	174.5	-160.6	0	0	113.1	T351 T352 Q717	E348-T351 PolarHBondContact O-N 3.23Å; E348-T352 PolarHBondContact O-N 3.34Å; E348-T352 PolarHBondContact O-OG1 2.91Å; E348-T352 VanDerWaalsContact O-OG1 3.1Å; E348-Q717 PolarHBondContact OE1-NE2 3.32Å; E348-Q717 PolarHBondContact OE1-OE1 3.15Å; E348-Q717 VanDerWaalsContact OE1-OE1 3.14Å
349	E	53.5	Low	65.7	Low	98 Å²	98	89.7 Å²	89.7	46%	0.458	44%	0.443	S	S	.	.	H	α-helix	trans	-65	-43.8	175.6	-76.2	-166.8	174.8	0	0	111.4	T351 T352 Q353 T681	E349-T351 PolarHBondContact O-N 2.91Å; E349-T352 PolarHBondContact O-N 3.24Å; E349-Q353 WeakPolarHBondContact O-CG 3.27Å; E349-Q353 PolarHBondContact O-N 2.93Å; E349-Q353 VanDerWaalsContact O-N 3.08Å; E349-T681 WeakPolarHBondContact OE1-CG2 3.34Å
350	L	57.6	Low	66.7	Low	109 Å²	109	87.9 Å²	87.9	57%	0.571	43%	0.432	S	S	*	.	H	α-helix	trans	-57.3	-37.1	175.1	-77.6	170.9	0	0	0	111.3	D346 L354	D346-L350 VanDerWaalsContact O-CD1 3.29Å; D346-L350 WeakPolarHBondContact O-CD1 3.42Å; D346-L350 VanDerWaalsContact O-CG 3.32Å; D346-L350 WeakPolarHBondContact O-CG 3.26Å; L350-L354 WeakPolarHBondContact O-CB 3.4Å; L350-L354 PolarHBondContact O-N 3.48Å
351	T	70.8	Confident	67.7	Low	9 Å²	9	85.3 Å²	85.3	6%	0.055	42%	0.416	C	S	.	.	H	α-helix	trans	-76.7	-38.5	-177.7	-60.5	0	0	0	0	112.5	V335 N338 V347 E348 E349 Q353 L354 L355	V335-T351 HydrophobicContact CB-CG2 4.4Å; V335-T351 HydrophobicContact CG2-CG2 3.64Å; N338-T351 WeakPolarHBondContact ND2-CB 3.47Å; N338-T351 WeakPolarHBondContact ND2-CG2 3.38Å; N338-T351 PolarHBondContact ND2-OG1 3.46Å; V347-T351 VanDerWaalsContact O-CB 3.29Å; V347-T351 WeakPolarHBondContact O-CB 3.49Å; V347-T351 PolarHBondContact O-N 3.41Å; V347-T351 PolarHBondContact O-OG1 2.89Å; E348-T351 PolarHBondContact O-N 3.23Å; E349-T351 PolarHBondContact O-N 2.91Å; T351-Q353 VanDerWaalsContact C-N 3.33Å; T351-Q353 PolarHBondContact O-N 3.34Å; T351-L354 PolarHBondContact O-N 2.95Å; T351-L355 HydrophobicContact CG2-CD1 4.21Å; T351-L355 HydrophobicContact CG2-CG 4.43Å; T351-L355 VanDerWaalsContact O-CB 3.28Å; T351-L355 WeakPolarHBondContact O-CB 3.35Å; T351-L355 WeakPolarHBondContact O-CG 3.4Å; T351-L355 PolarHBondContact O-N 2.88Å
352	T	68.4	Low	69	Low	45 Å²	45	78.7 Å²	78.7	28%	0.276	39%	0.391	S	S	.	.	H	α-helix	trans	-64.4	-41.6	176.1	-57.7	0	0	0	0	110.9	E348 E349 L356 I576	E348-T352 PolarHBondContact O-N 3.34Å; E348-T352 PolarHBondContact O-OG1 2.91Å; E348-T352 VanDerWaalsContact O-OG1 3.1Å; E349-T352 PolarHBondContact O-N 3.24Å; T352-L356 WeakPolarHBondContact O-CB 3.18Å; T352-L356 PolarHBondContact O-N 2.95Å; T352-I576 HydrophobicContact CG2-CB 4.45Å; T352-I576 HydrophobicContact CG2-CG1 4.27Å; T352-I576 HydrophobicContact CG2-CG2 3.45Å; T352-I576 VanDerWaalsContact CG2-CG2 3.45Å
353	Q	69.4	Low	70.7	Confident	127 Å²	127	74.8 Å²	74.8	59%	0.593	37%	0.367	S	S	*	.	H	α-helix	trans	-64.4	-46.8	173.9	-69.4	-179.9	12	0	0	111.6	E349 T351 L355 L356 E357	E349-Q353 WeakPolarHBondContact O-CG 3.27Å; E349-Q353 PolarHBondContact O-N 2.93Å; E349-Q353 VanDerWaalsContact O-N 3.08Å; T351-Q353 VanDerWaalsContact C-N 3.33Å; T351-Q353 PolarHBondContact O-N 3.34Å; Q353-L355 PolarHBondContact O-N 2.81Å; Q353-L356 PolarHBondContact O-N 3.34Å; Q353-E357 WeakPolarHBondContact O-CB 3.31Å; Q353-E357 PolarHBondContact O-N 3.15Å
354	L	79.2	Confident	72.3	Confident	48 Å²	48	72.8 Å²	72.8	25%	0.251	36%	0.358	S	S	.	.	H	α-helix	trans	-57.8	-46.8	176.4	177.7	68	0	0	0	111.5	T331 Q334 L350 T351 L356 E357 K358	T331-L354 HydrophobicContact CG2-CG 4.39Å; Q334-L354 HydrophobicContact CB-CD2 4Å; Q334-L354 HydrophobicContact CG-CD2 3.69Å; L350-L354 WeakPolarHBondContact O-CB 3.4Å; L350-L354 PolarHBondContact O-N 3.48Å; T351-L354 PolarHBondContact O-N 2.95Å; L354-L356 PolarHBondContact O-N 2.87Å; L354-E357 PolarHBondContact O-N 2.87Å; L354-K358 HydrophobicContact CD1-CG 3.84Å; L354-K358 HydrophobicContact CG-CG 4.22Å; L354-K358 VanDerWaalsContact O-CB 3.25Å; L354-K358 WeakPolarHBondContact O-CB 3.29Å; L354-K358 WeakPolarHBondContact O-CG 3.44Å; L354-K358 PolarHBondContact O-N 3.2Å
355	L	81.6	Confident	73.9	Confident	45 Å²	45	69.1 Å²	69.1	24%	0.236	35%	0.347	C	S	.	.	H	α-helix	trans	-59.3	-47.4	177.8	-87.9	171.2	0	0	0	111.6	T331 V335 T351 Q353 K358 A359 V572 I576	T331-L355 HydrophobicContact CG2-CD2 3.74Å; T331-L355 HydrophobicContact CG2-CG 4.32Å; V335-L355 HydrophobicContact CG2-CD1 3.76Å; V335-L355 HydrophobicContact CG2-CD2 3.79Å; V335-L355 HydrophobicContact CG2-CG 3.77Å; T351-L355 HydrophobicContact CG2-CD1 4.21Å; T351-L355 HydrophobicContact CG2-CG 4.43Å; T351-L355 VanDerWaalsContact O-CB 3.28Å; T351-L355 WeakPolarHBondContact O-CB 3.35Å; T351-L355 WeakPolarHBondContact O-CG 3.4Å; T351-L355 PolarHBondContact O-N 2.88Å; Q353-L355 PolarHBondContact O-N 2.81Å; L355-K358 PolarHBondContact O-N 3.29Å; L355-A359 WeakPolarHBondContact O-CB 3.39Å; L355-A359 PolarHBondContact O-N 3.24Å; L355-V572 HydrophobicContact CD2-CG1 4.39Å; L355-I576 HydrophobicContact CB-CD1 3.73Å; L355-I576 HydrophobicContact CD1-CD1 4.5Å
356	L	78.6	Confident	76	Confident	38 Å²	38	63.9 Å²	63.9	20%	0.199	32%	0.318	C	S	.	.	H	α-helix	trans	-64	-46.4	179.9	-173.9	69.2	0	0	0	111.1	T352 Q353 L354 A359 Q360 Q573 I576 M577	T352-L356 WeakPolarHBondContact O-CB 3.18Å; T352-L356 PolarHBondContact O-N 2.95Å; Q353-L356 PolarHBondContact O-N 3.34Å; L354-L356 PolarHBondContact O-N 2.87Å; L356-A359 PolarHBondContact O-N 2.82Å; L356-Q360 WeakPolarHBondContact O-CB 3.15Å; L356-Q360 VanDerWaalsContact O-CG 3.26Å; L356-Q360 WeakPolarHBondContact O-CG 3.32Å; L356-Q360 PolarHBondContact O-N 2.77Å; L356-Q573 HydrophobicContact CD1-CB 4.2Å; L356-Q573 HydrophobicContact CD1-CG 4.05Å; L356-I576 HydrophobicContact CB-CD1 4.29Å; L356-M577 HydrophobicContact CD1-CE 4.1Å; L356-M577 HydrophobicContact CD2-CE 4.13Å
357	E	84	Confident	77.7	Confident	117 Å²	117	62.3 Å²	62.3	55%	0.547	31%	0.31	S	S	.	.	H	α-helix	trans	-59.7	-48.8	177.3	-174.9	-175.6	167.1	0	0	111	Q353 L354 Q360 Q361	Q353-E357 WeakPolarHBondContact O-CB 3.31Å; Q353-E357 PolarHBondContact O-N 3.15Å; L354-E357 PolarHBondContact O-N 2.87Å; E357-Q360 PolarHBondContact O-N 3.09Å; E357-Q361 VanDerWaalsContact O-CB 3.28Å; E357-Q361 WeakPolarHBondContact O-CB 3.36Å; E357-Q361 PolarHBondContact O-N 2.77Å
358	K	87.5	Confident	79.1	Confident	49 Å²	49	62.7 Å²	62.7	21%	0.213	32%	0.317	C	S	.	.	H	α-helix	trans	-68	-40.4	-179.2	-68.1	-73.3	164.3	-157.1	0	112.1	T331 L354 L355 Q360 Q361 V362	T331-K358 HydrophobicContact CG2-CB 4.08Å; T331-K358 HydrophobicContact CG2-CG 4.19Å; T331-K358 WeakPolarHBondContact OG1-CG 3.47Å; L354-K358 HydrophobicContact CD1-CG 3.84Å; L354-K358 HydrophobicContact CG-CG 4.22Å; L354-K358 VanDerWaalsContact O-CB 3.25Å; L354-K358 WeakPolarHBondContact O-CB 3.29Å; L354-K358 WeakPolarHBondContact O-CG 3.44Å; L354-K358 PolarHBondContact O-N 3.2Å; L355-K358 PolarHBondContact O-N 3.29Å; K358-Q360 VanDerWaalsContact C-N 3.33Å; K358-Q360 PolarHBondContact O-N 2.8Å; K358-Q361 PolarHBondContact O-N 2.8Å; K358-V362 WeakPolarHBondContact O-CB 3.44Å; K358-V362 VanDerWaalsContact O-CG2 3.3Å; K358-V362 WeakPolarHBondContact O-CG2 3.28Å; K358-V362 PolarHBondContact O-N 2.91Å
359	A	85	Confident	80.6	Confident	5 Å²	5	57.8 Å²	57.8	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-63.2	-40.3	175.6	0	0	0	0	0	111.7	L355 L356 G363 L569 V572 Q573	L355-A359 WeakPolarHBondContact O-CB 3.39Å; L355-A359 PolarHBondContact O-N 3.24Å; L356-A359 PolarHBondContact O-N 2.82Å; A359-G363 WeakPolarHBondContact O-CA 3.42Å; A359-G363 PolarHBondContact O-N 2.86Å; A359-L569 HydrophobicContact CB-CD2 4.28Å; A359-V572 HydrophobicContact CB-CG1 4.37Å; A359-Q573 HydrophobicContact CB-CG 3.85Å; A359-Q573 PolarHBondContact O-NE2 3.42Å
360	Q	84.3	Confident	82	Confident	78 Å²	78	55 Å²	55	36%	0.364	28%	0.283	S	S	.	.	H	α-helix	trans	-68.1	-44.8	174.9	-73.3	175.5	-3.2	0	0	111.8	L356 E357 K358 G363 Q364	L356-Q360 WeakPolarHBondContact O-CB 3.15Å; L356-Q360 VanDerWaalsContact O-CG 3.26Å; L356-Q360 WeakPolarHBondContact O-CG 3.32Å; L356-Q360 PolarHBondContact O-N 2.77Å; E357-Q360 PolarHBondContact O-N 3.09Å; K358-Q360 VanDerWaalsContact C-N 3.33Å; K358-Q360 PolarHBondContact O-N 2.8Å; Q360-G363 PolarHBondContact O-N 3.16Å; Q360-Q364 VanDerWaalsContact O-CG 3.28Å; Q360-Q364 WeakPolarHBondContact O-CG 3.49Å; Q360-Q364 PolarHBondContact O-N 3.2Å
361	Q	89	Confident	83	Confident	62 Å²	62	54.8 Å²	54.8	29%	0.29	28%	0.281	S	S	.	.	H	α-helix	trans	-59.7	-52.3	179.4	-175.8	-169.4	-17.4	0	0	111.3	E327 E357 K358 Q364 Q365	E327-Q361 PolarHBondContact OE2-NE2 2.97Å; E357-Q361 VanDerWaalsContact O-CB 3.28Å; E357-Q361 WeakPolarHBondContact O-CB 3.36Å; E357-Q361 PolarHBondContact O-N 2.77Å; K358-Q361 PolarHBondContact O-N 2.8Å; Q361-Q364 PolarHBondContact O-N 2.84Å; Q361-Q365 WeakPolarHBondContact O-CG 3.33Å; Q361-Q365 PolarHBondContact O-N 3.39Å
362	V	91.9	Very high	83.3	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-67.6	-39.3	179.7	178.9	0	0	0	0	110.6	L324 E327 I328 K358 Q364 Q365 I366 L569	L324-V362 HydrophobicContact CB-CG1 4.4Å; L324-V362 HydrophobicContact CD2-CG1 4.28Å; E327-V362 HydrophobicContact CB-CG2 4.41Å; I328-V362 HydrophobicContact CD1-CG1 4.15Å; I328-V362 HydrophobicContact CG1-CG1 4.37Å; I328-V362 HydrophobicContact CG1-CG2 4.36Å; K358-V362 WeakPolarHBondContact O-CB 3.44Å; K358-V362 VanDerWaalsContact O-CG2 3.3Å; K358-V362 WeakPolarHBondContact O-CG2 3.28Å; K358-V362 PolarHBondContact O-N 2.91Å; V362-Q364 PolarHBondContact O-N 2.94Å; V362-Q365 PolarHBondContact O-N 3.15Å; V362-I366 HydrophobicContact CG1-CD1 4.13Å; V362-I366 WeakPolarHBondContact O-CG1 3.31Å; V362-I366 PolarHBondContact O-N 2.86Å; V362-L569 HydrophobicContact CB-CD1 3.87Å; V362-L569 HydrophobicContact CG1-CD1 3.61Å
363	G	89.4	Confident	83.7	Confident	9 Å²	9	53.7 Å²	53.7	9%	0.093	27%	0.274	C	S	.	.	H	α-helix	trans	-57.1	-47.2	176.1	0	0	0	0	0	112.4	A359 Q360 Q365 I366 D367	A359-G363 WeakPolarHBondContact O-CA 3.42Å; A359-G363 PolarHBondContact O-N 2.86Å; Q360-G363 PolarHBondContact O-N 3.16Å; G363-Q365 VanDerWaalsContact C-N 3.3Å; G363-Q365 PolarHBondContact O-N 2.96Å; G363-I366 WeakPolarHBondContact O-CB 3.49Å; G363-I366 PolarHBondContact O-N 3.06Å; G363-I366 VanDerWaalsContact O-N 3.13Å; G363-D367 PolarHBondContact O-N 3.01Å
364	Q	87.1	Confident	84	Confident	130 Å²	130	54.7 Å²	54.7	61%	0.607	28%	0.277	S	S	*	.	H	α-helix	trans	-60.9	-36.5	176.7	-73.4	173.1	13.6	0	0	113.1	Q360 Q361 V362 D367 A368	Q360-Q364 VanDerWaalsContact O-CG 3.28Å; Q360-Q364 WeakPolarHBondContact O-CG 3.49Å; Q360-Q364 PolarHBondContact O-N 3.2Å; Q361-Q364 PolarHBondContact O-N 2.84Å; V362-Q364 PolarHBondContact O-N 2.94Å; Q364-D367 PolarHBondContact O-N 3.42Å; Q364-A368 WeakPolarHBondContact O-CB 3.47Å; Q364-A368 PolarHBondContact O-N 2.92Å
365	Q	89.2	Confident	83.9	Confident	84 Å²	84	53.8 Å²	53.8	39%	0.393	27%	0.271	S	S	.	.	H	α-helix	trans	-68.5	-38.6	176.4	-65.4	-66.8	-44.4	0	0	111.6	L324 Q361 V362 G363 L369	L324-Q365 HydrophobicContact CD1-CB 4.21Å; L324-Q365 HydrophobicContact CD2-CB 3.77Å; L324-Q365 HydrophobicContact CD2-CG 3.95Å; Q361-Q365 WeakPolarHBondContact O-CG 3.33Å; Q361-Q365 PolarHBondContact O-N 3.39Å; V362-Q365 PolarHBondContact O-N 3.15Å; G363-Q365 VanDerWaalsContact C-N 3.3Å; G363-Q365 PolarHBondContact O-N 2.96Å; Q365-L369 WeakPolarHBondContact O-CG 3.26Å; Q365-L369 PolarHBondContact O-N 3.46Å
366	I	90	Very high	83.8	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-45.7	174.1	-69.4	175.2	0	0	0	110.4	L324 V362 G363 A368 L369 L370 L562 A565 L569	L324-I366 HydrophobicContact CD1-CG1 4.45Å; V362-I366 HydrophobicContact CG1-CD1 4.13Å; V362-I366 WeakPolarHBondContact O-CG1 3.31Å; V362-I366 PolarHBondContact O-N 2.86Å; G363-I366 WeakPolarHBondContact O-CB 3.49Å; G363-I366 PolarHBondContact O-N 3.06Å; G363-I366 VanDerWaalsContact O-N 3.13Å; I366-A368 VanDerWaalsContact C-N 3.31Å; I366-A368 PolarHBondContact O-N 3.04Å; I366-L369 WeakPolarHBondContact O-CB 3.46Å; I366-L369 PolarHBondContact O-N 2.87Å; I366-L370 HydrophobicContact CG2-CD1 3.86Å; I366-L370 HydrophobicContact CG2-CG 4.28Å; I366-L370 WeakPolarHBondContact O-CG 3.3Å; I366-L370 PolarHBondContact O-N 3.36Å; I366-L562 HydrophobicContact CG1-CD2 4.14Å; I366-L562 HydrophobicContact CG2-CB 4.14Å; I366-L562 HydrophobicContact CG2-CD2 4.29Å; I366-L562 WeakPolarHBondContact CG2-O 3.48Å; I366-A565 HydrophobicContact CD1-CB 3.83Å; I366-L569 HydrophobicContact CD1-CD1 3.84Å
367	D	85.9	Confident	83.9	Confident	98 Å²	98	54 Å²	54	52%	0.524	27%	0.268	S	S	.	.	H	α-helix	trans	-60.6	-41	178.3	-71.4	-23	0	0	0	111.7	G363 Q364 L369 L370 L371	G363-D367 PolarHBondContact O-N 3.01Å; Q364-D367 PolarHBondContact O-N 3.42Å; D367-L369 VanDerWaalsContact C-N 3.3Å; D367-L369 PolarHBondContact O-N 2.92Å; D367-L370 PolarHBondContact O-N 3.35Å; D367-L371 WeakPolarHBondContact O-CB 3.43Å; D367-L371 PolarHBondContact O-N 2.99Å
368	A	84.4	Confident	83.8	Confident	47 Å²	47	50.3 Å²	50.3	39%	0.388	25%	0.252	S	S	.	.	H	α-helix	trans	-60.7	-37.4	174.2	0	0	0	0	0	112.5	Q364 I366 N372	Q364-A368 WeakPolarHBondContact O-CB 3.47Å; Q364-A368 PolarHBondContact O-N 2.92Å; I366-A368 VanDerWaalsContact C-N 3.31Å; I366-A368 PolarHBondContact O-N 3.04Å; A368-N372 PolarHBondContact O-ND2 3.37Å
369	L	85.1	Confident	83.5	Confident	7 Å²	7	48.7 Å²	48.7	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-69.9	-42.3	174.5	-70.3	171.1	0	0	0	112.4	L320 Q365 I366 D367 L371 N372 A373 T551 V553 L562	L320-L369 HydrophobicContact CD2-CD1 3.69Å; L320-L369 HydrophobicContact CD2-CD2 3.59Å; L320-L369 HydrophobicContact CD2-CG 3.98Å; Q365-L369 WeakPolarHBondContact O-CG 3.26Å; Q365-L369 PolarHBondContact O-N 3.46Å; I366-L369 WeakPolarHBondContact O-CB 3.46Å; I366-L369 PolarHBondContact O-N 2.87Å; D367-L369 VanDerWaalsContact C-N 3.3Å; D367-L369 PolarHBondContact O-N 2.92Å; L369-L371 VanDerWaalsContact C-N 3.34Å; L369-N372 PolarHBondContact O-N 3.35Å; L369-A373 PolarHBondContact O-N 2.97Å; L369-T551 HydrophobicContact CD2-CG2 4.09Å; L369-V553 HydrophobicContact CB-CG2 4.03Å; L369-V553 HydrophobicContact CD2-CG2 3.92Å; L369-V553 HydrophobicContact CG-CG2 4.44Å; L369-L562 HydrophobicContact CB-CD1 4.03Å; L369-L562 HydrophobicContact CD1-CD1 4.11Å; L369-L562 HydrophobicContact CD1-CD2 4.08Å
370	L	83.7	Confident	83.2	Confident	40 Å²	40	52.3 Å²	52.3	21%	0.209	26%	0.258	C	S	.	.	H	α-helix	trans	-67.8	-33.9	179.4	-71.3	175.8	0	0	0	112.3	I366 D367 N372 A373 I559 L562 E563	I366-L370 HydrophobicContact CG2-CD1 3.86Å; I366-L370 HydrophobicContact CG2-CG 4.28Å; I366-L370 WeakPolarHBondContact O-CG 3.3Å; I366-L370 PolarHBondContact O-N 3.36Å; D367-L370 PolarHBondContact O-N 3.35Å; L370-N372 VanDerWaalsContact C-N 3.27Å; L370-N372 PolarHBondContact O-N 3.09Å; L370-A373 WeakPolarHBondContact O-CB 3.29Å; L370-A373 PolarHBondContact O-N 2.68Å; L370-I559 HydrophobicContact CD2-CG2 3.87Å; L370-L562 HydrophobicContact CD2-CB 3.84Å; L370-L562 HydrophobicContact CG-CB 4.23Å; L370-E563 HydrophobicContact CD1-CG 3.96Å; L370-E563 HydrophobicContact CD2-CG 3.86Å
371	L	78.6	Confident	83.1	Confident	104 Å²	104	52.6 Å²	52.6	55%	0.545	26%	0.259	S	S	.	.	H	α-helix	trans	-58.6	-41.8	174.6	-169.5	64.6	0	0	0	111.6	D367 L369 A373	D367-L371 WeakPolarHBondContact O-CB 3.43Å; D367-L371 PolarHBondContact O-N 2.99Å; L369-L371 VanDerWaalsContact C-N 3.34Å; L371-A373 VanDerWaalsContact C-N 3.27Å; L371-A373 PolarHBondContact O-N 3.38Å
372	N	77.3	Confident	82.8	Confident	25 Å²	25	50 Å²	50	13%	0.134	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.3	177.6	-65.5	-29.1	0	0	0	113.2	A368 L369 L370 K374 Q375 G376 Y552	A368-N372 PolarHBondContact O-ND2 3.37Å; L369-N372 PolarHBondContact O-N 3.35Å; L370-N372 VanDerWaalsContact C-N 3.27Å; L370-N372 PolarHBondContact O-N 3.09Å; N372-K374 PolarHBondContact O-N 3.3Å; N372-Q375 PolarHBondContact O-N 2.99Å; N372-G376 PolarHBondContact O-N 2.72Å; N372-Y552 HydrophobicContact CB-CD1 4.15Å; N372-Y552 HydrophobicContact CB-CE1 4.49Å
373	A	77.5	Confident	82.5	Confident	5 Å²	5	50 Å²	50	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-67.6	-37.3	-172.3	0	0	0	0	0	113.3	L369 L370 L371 Q375 G376 K377 V553 I559	L369-A373 PolarHBondContact O-N 2.97Å; L370-A373 WeakPolarHBondContact O-CB 3.29Å; L370-A373 PolarHBondContact O-N 2.68Å; L371-A373 VanDerWaalsContact C-N 3.27Å; L371-A373 PolarHBondContact O-N 3.38Å; A373-Q375 VanDerWaalsContact C-N 3.33Å; A373-Q375 PolarHBondContact O-N 2.86Å; A373-G376 PolarHBondContact O-N 2.81Å; A373-K377 WeakPolarHBondContact O-CB 3.35Å; A373-K377 PolarHBondContact O-N 3.3Å; A373-V553 VanDerWaalsContact CA-O 3.29Å; A373-V553 WeakPolarHBondContact CA-O 3.42Å; A373-I559 HydrophobicContact CB-CD1 3.7Å; A373-I559 HydrophobicContact CB-CG1 3.74Å
374	K	74	Confident	82.3	Confident	149 Å²	149	50.9 Å²	50.9	65%	0.648	25%	0.254	S	S	*	.	H	α-helix	trans	-61.9	-42.6	177.8	-173.2	175.5	-176.6	171.8	0	111.7	N372 I378	N372-K374 PolarHBondContact O-N 3.3Å; K374-I378 WeakPolarHBondContact O-CG1 3.29Å; K374-I378 PolarHBondContact O-N 3.05Å
375	Q	77.2	Confident	82.4	Confident	29 Å²	29	44.7 Å²	44.7	14%	0.136	23%	0.225	C	C	.	.	H	α-helix	trans	-69.6	-42.6	176.4	-67.2	179.2	-6.8	0	0	111.1	N372 A373 K377 I378 L379 Y552	N372-Q375 PolarHBondContact O-N 2.99Å; A373-Q375 VanDerWaalsContact C-N 3.33Å; A373-Q375 PolarHBondContact O-N 2.86Å; Q375-K377 VanDerWaalsContact C-N 3.33Å; Q375-K377 PolarHBondContact O-N 3.23Å; Q375-I378 PolarHBondContact O-N 3.11Å; Q375-L379 WeakPolarHBondContact O-CG 3.33Å; Q375-L379 PolarHBondContact O-N 2.92Å; Q375-Y552 HydrophobicContact CB-CD1 4.33Å; Q375-Y552 HydrophobicContact CB-CE1 4.08Å
376	G	80.2	Confident	82.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58	-43.4	175.3	0	0	0	0	0	112.8	N372 A373 L379 R380 S554	N372-G376 PolarHBondContact O-N 2.72Å; A373-G376 PolarHBondContact O-N 2.81Å; G376-L379 PolarHBondContact O-N 3.07Å; G376-R380 PolarHBondContact O-N 3.33Å; G376-S554 WeakPolarHBondContact O-CB 3.43Å
377	K	81.7	Confident	81.9	Confident	86 Å²	86	41.7 Å²	41.7	37%	0.374	21%	0.212	S	C	.	.	H	α-helix	trans	-60.4	-46.9	176.9	-175.4	-179.5	175.3	-176.1	0	111.6	A373 Q375 R380 E381	A373-K377 WeakPolarHBondContact O-CB 3.35Å; A373-K377 PolarHBondContact O-N 3.3Å; Q375-K377 VanDerWaalsContact C-N 3.33Å; Q375-K377 PolarHBondContact O-N 3.23Å; K377-R380 PolarHBondContact O-N 3.39Å; K377-R380 VanDerWaalsContact O-N 3.15Å; K377-E381 VanDerWaalsContact CE-CD 3.44Å; K377-E381 WeakPolarHBondContact CE-OE1 3.48Å; K377-E381 WeakPolarHBondContact CE-OE2 2.89Å; K377-E381 HydrophobicContact CG-CG 4.47Å; K377-E381 IonicContact NZ-OE2 3.14Å; K377-E381 PolarHBondContact O-N 3.43Å
378	I	79.9	Confident	81.8	Confident	41 Å²	41	37.3 Å²	37.3	21%	0.21	19%	0.188	C	C	.	.	H	α-helix	trans	-64.9	-41.6	179	-66.2	167.2	0	0	0	111.3	K374 Q375 R380 G382 L383 P431 F540	K374-I378 WeakPolarHBondContact O-CG1 3.29Å; K374-I378 PolarHBondContact O-N 3.05Å; Q375-I378 PolarHBondContact O-N 3.11Å; I378-R380 PolarHBondContact O-N 3.21Å; I378-G382 CarbonylContact O-C 3.46Å; I378-G382 VanDerWaalsContact O-CA 3.26Å; I378-G382 WeakPolarHBondContact O-CA 3.34Å; I378-G382 PolarHBondContact O-N 2.83Å; I378-L383 HydrophobicContact CG2-CB 3.94Å; I378-L383 HydrophobicContact CG2-CD1 4.48Å; I378-P431 WeakPolarHBondContact O-CG 3.32Å; I378-F540 HydrophobicContact CD1-CD1 4.48Å
379	L	81.9	Confident	81.7	Confident	14 Å²	14	35.3 Å²	35.3	7%	0.073	17%	0.172	C	C	.	.	H	α-helix	trans	-59.1	-29	175.8	-73.9	174.4	0	0	0	112.5	R304 A305 V308 Q375 G376	R304-L379 HydrophobicContact CB-CD2 4.1Å; A305-L379 HydrophobicContact CB-CB 4.41Å; A305-L379 VanDerWaalsContact CB-O 3.29Å; A305-L379 WeakPolarHBondContact CB-O 3.35Å; V308-L379 HydrophobicContact CG2-CD1 4.17Å; Q375-L379 WeakPolarHBondContact O-CG 3.33Å; Q375-L379 PolarHBondContact O-N 2.92Å; G376-L379 PolarHBondContact O-N 3.07Å
380	R	80.1	Confident	81.6	Confident	82 Å²	82	37.4 Å²	37.4	31%	0.309	18%	0.179	S	C	.	.	H	α-helix	trans	-87.7	-50.1	-179.6	-173.8	-173.7	-169	-161	9.9	113.4	D296 G376 K377 I378	D296-R380 IonicContact OD1-CZ 3.49Å; D296-R380 IonicContact OD1-NE 3.85Å; D296-R380 PolarHBondContact OD1-NE 3.23Å; D296-R380 IonicContact OD1-NH2 2.62Å; D296-R380 PolarHBondContact OD1-NH2 3.49Å; D296-R380 IonicContact OD2-CZ 2.94Å; D296-R380 IonicContact OD2-NE 2.79Å; D296-R380 PolarHBondContact OD2-NE 3.09Å; D296-R380 IonicContact OD2-NH2 3.08Å; G376-R380 PolarHBondContact O-N 3.33Å; K377-R380 PolarHBondContact O-N 3.39Å; K377-R380 VanDerWaalsContact O-N 3.15Å; I378-R380 PolarHBondContact O-N 3.21Å
381	E	80.8	Confident	81.2	Confident	83 Å²	83	37.2 Å²	37.2	39%	0.388	18%	0.18	S	C	.	.	H	α-helix	trans	-86.5	-23.3	-173.5	-67.3	178.6	-175.8	0	0	112.6	K377 Y424	K377-E381 VanDerWaalsContact CE-CD 3.44Å; K377-E381 WeakPolarHBondContact CE-OE1 3.48Å; K377-E381 WeakPolarHBondContact CE-OE2 2.89Å; K377-E381 HydrophobicContact CG-CG 4.47Å; K377-E381 IonicContact NZ-OE2 3.14Å; K377-E381 PolarHBondContact O-N 3.43Å; E381-Y424 PolarHBondContact O-OH 3.05Å
382	G	82.9	Confident	81.3	Confident	7 Å²	7	38.6 Å²	38.6	7%	0.072	19%	0.188	C	C	.	.			trans	89.3	160.3	-165	0	0	0	0	0	112.2	I378 P431	I378-G382 CarbonylContact O-C 3.46Å; I378-G382 VanDerWaalsContact O-CA 3.26Å; I378-G382 WeakPolarHBondContact O-CA 3.34Å; I378-G382 PolarHBondContact O-N 2.83Å; G382-P431 CarbonylContact C-O 3.51Å; G382-P431 WeakPolarHBondContact CA-O 3.48Å
383	L	85.7	Confident	81.7	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.026	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	115.5	170.3	179.4	80.6	0	0	0	109.7	I378 T385 P431 L432 K433 D463 L464 F540	I378-L383 HydrophobicContact CG2-CB 3.94Å; I378-L383 HydrophobicContact CG2-CD1 4.48Å; L383-T385 PolarHBondContact O-N 3.44Å; L383-T385 PolarHBondContact O-OG1 3.41Å; L383-P431 PolarHBondContact N-O 3.29Å; L383-L432 HydrophobicContact CB-CD2 4.35Å; L383-L432 HydrophobicContact CD2-CD2 3.67Å; L383-K433 PolarHBondContact O-N 2.91Å; L383-D463 HydrophobicContact CD1-CB 3.67Å; L383-D463 HydrophobicContact CG-CB 4.38Å; L383-L464 HydrophobicContact CD2-CB 3.8Å; L383-L464 HydrophobicContact CD2-CD2 3.76Å; L383-L464 HydrophobicContact CD2-CG 4.42Å; L383-L464 HydrophobicContact CG-CB 4.33Å; L383-F540 HydrophobicContact CD1-CD1 4.07Å; L383-F540 HydrophobicContact CD1-CE1 3.31Å; L383-F540 HydrophobicContact CD1-CZ 3.81Å; L383-F540 HydrophobicContact CD2-CD1 4.18Å; L383-F540 HydrophobicContact CD2-CD2 4.08Å; L383-F540 HydrophobicContact CD2-CE1 3.37Å; L383-F540 HydrophobicContact CD2-CE2 3.3Å; L383-F540 HydrophobicContact CD2-CZ 2.93Å; L383-F540 HydrophobicContact CG-CE1 3.92Å; L383-F540 HydrophobicContact CG-CZ 3.94Å
384	S	86.2	Confident	82	Confident	26 Å²	26	37.8 Å²	37.8	18%	0.182	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	109.3	179.4	-42.8	0	0	0	0	109.8	D463 L464	S384-D463 VanDerWaalsContact CB-OD2 3.26Å; S384-D463 WeakPolarHBondContact CB-OD2 3.47Å; S384-D463 PolarHBondContact N-OD2 2.76Å; S384-D463 PolarHBondContact O-N 3.32Å; S384-D463 PolarHBondContact OG-OD2 2.76Å; S384-L464 PolarHBondContact O-N 3.15Å; S384-L464 VanDerWaalsContact O-N 3.08Å
385	T	87.4	Confident	82.4	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.7	-171.3	-54.7	0	0	0	0	110.3	L383 K433 I435 L464 L466	L383-T385 PolarHBondContact O-N 3.44Å; L383-T385 PolarHBondContact O-OG1 3.41Å; T385-K433 PolarHBondContact N-O 3.38Å; T385-I435 PolarHBondContact O-N 3.16Å; T385-I435 VanDerWaalsContact O-N 3.09Å; T385-L464 VanDerWaalsContact CA-O 3.3Å; T385-L464 WeakPolarHBondContact CA-O 3.48Å; T385-L464 HydrophobicContact CG2-CB 4.37Å; T385-L464 HydrophobicContact CG2-CD2 4.03Å; T385-L464 HydrophobicContact CG2-CG 4.22Å; T385-L466 HydrophobicContact CG2-CD1 4.18Å; T385-L466 HydrophobicContact CG2-CG 4.03Å
386	A	85.1	Confident	82.1	Confident	1 Å²	1	34 Å²	34	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.5	175.8	0	0	0	0	0	111	I388 A458 A462 L464 L466	A386-I388 HydrophobicContact CB-CD1 4Å; A386-I388 HydrophobicContact CB-CG1 4.05Å; A386-A458 HydrophobicContact CB-CB 4.33Å; A386-A462 HydrophobicContact CB-CB 3.72Å; A386-L464 PolarHBondContact N-O 3.31Å; A386-L466 PolarHBondContact O-N 3.47Å
387	I	84.7	Confident	82.1	Confident	26 Å²	26	37 Å²	37	13%	0.133	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	109.2	173.6	-53.4	-179.5	0	0	0	108.4	K395 L398 L399 L402 L434 L466 V468	I387-K395 HydrophobicContact CG2-CB 4.17Å; I387-K395 HydrophobicContact CG2-CG 4.18Å; I387-L398 HydrophobicContact CG2-CD2 4.25Å; I387-L399 HydrophobicContact CD1-CB 4.15Å; I387-L399 HydrophobicContact CD1-CD1 4.42Å; I387-L402 HydrophobicContact CD1-CD1 4.08Å; I387-L434 HydrophobicContact CD1-CD2 4.33Å; I387-L466 HydrophobicContact CG1-CB 4.36Å; I387-L466 HydrophobicContact CG1-CD1 4.23Å; I387-V468 HydrophobicContact CG2-CG2 3.95Å
388	I	84.2	Confident	82.2	Confident	6 Å²	6	33 Å²	33	3%	0.031	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	150.5	-169.9	-57	178.8	0	0	0	109.8	A386 L459 I465 L466 L467 V468 L482	A386-I388 HydrophobicContact CB-CD1 4Å; A386-I388 HydrophobicContact CB-CG1 4.05Å; I388-L459 HydrophobicContact CD1-CD2 3.31Å; I388-L459 HydrophobicContact CD1-CG 3.74Å; I388-I465 HydrophobicContact CB-CG2 4.5Å; I388-I465 HydrophobicContact CD1-CG2 3.99Å; I388-I465 HydrophobicContact CG1-CG2 4.41Å; I388-L466 PolarHBondContact N-O 3.13Å; I388-L467 HydrophobicContact CG2-CD1 4.41Å; I388-L467 CarbonylContact O-C 3.28Å; I388-L467 WeakPolarHBondContact O-CA 3.4Å; I388-V468 PolarHBondContact O-N 2.87Å; I388-L482 HydrophobicContact CG2-CD1 4.16Å; I388-L482 HydrophobicContact CG2-CD2 3.69Å; I388-L482 HydrophobicContact CG2-CG 4.47Å
389	G	81.8	Confident	82.1	Confident	4 Å²	4	31.4 Å²	31.4	4%	0.041	17%	0.172	C	C	.	.			trans	159.7	161.2	-177.5	0	0	0	0	0	110.1	K395	G389-K395 WeakPolarHBondContact O-CD 3.08Å; G389-K395 VanDerWaalsContact O-CE 3.26Å; G389-K395 WeakPolarHBondContact O-CE 3.11Å; G389-K395 PolarHBondContact O-NZ 3.46Å
390	R	82.8	Confident	81.8	Confident	51 Å²	51	34.2 Å²	34.2	19%	0.192	19%	0.187	C	C	.	.			trans	-65.1	165	175.3	62.6	-175.4	-105.6	78.1	1.1	112	V393 E473 E478 D479	R390-V393 HydrophobicContact CB-CG1 4.37Å; R390-V393 HydrophobicContact CG-CG1 3.19Å; R390-V393 VanDerWaalsContact O-CG2 3.29Å; R390-V393 WeakPolarHBondContact O-CG2 3.39Å; R390-E473 IonicContact NE-OE2 3.04Å; R390-E473 IonicContact NH2-OE2 2.81Å; R390-E473 PolarHBondContact NH2-OE2 3Å; R390-E478 IonicContact NH1-OE2 3.95Å; R390-E478 PolarHBondContact NH1-OE2 3.48Å; R390-D479 VanDerWaalsContact CD-CG 3.41Å; R390-D479 WeakPolarHBondContact CD-OD1 3.12Å; R390-D479 VanDerWaalsContact CD-OD2 3.23Å; R390-D479 WeakPolarHBondContact CD-OD2 3.29Å; R390-D479 WeakPolarHBondContact CG-OD1 2.88Å; R390-D479 IonicContact NE-OD2 3.34Å
391	P	75.4	Confident	81.9	Confident	36 Å²	36	31.3 Å²	31.3	23%	0.234	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	145.6	171.9	-31.1	38.9	0	0	0	112.7	V393 E448	P391-V393 VanDerWaalsContact C-N 3.27Å; P391-V393 PolarHBondContact O-N 3.2Å; P391-E448 WeakPolarHBondContact CB-OE2 3.35Å; P391-E448 HydrophobicContact CG-CB 4.46Å
392	N	81.2	Confident	81.7	Confident	134 Å²	134	27.8 Å²	27.8	72%	0.717	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	13.8	175.4	-57.6	-47.6	0	0	0	117.4	G394 K497	N392-G394 VanDerWaalsContact C-N 3.25Å; N392-G394 PolarHBondContact O-N 3.38Å; N392-K497 VanDerWaalsContact O-CE 3.23Å; N392-K497 WeakPolarHBondContact O-CE 3.26Å; N392-K497 PolarHBondContact O-NZ 3.02Å
393	V	85.7	Confident	81.3	Confident	1 Å²	1	29 Å²	29	1%	0.006	17%	0.165	C	C	.	.	S	Bend	trans	-75.6	-12.6	170.9	-59.1	0	0	0	0	113.8	R390 P391 K395 V468 N470 N496	R390-V393 HydrophobicContact CB-CG1 4.37Å; R390-V393 HydrophobicContact CG-CG1 3.19Å; R390-V393 VanDerWaalsContact O-CG2 3.29Å; R390-V393 WeakPolarHBondContact O-CG2 3.39Å; P391-V393 VanDerWaalsContact C-N 3.27Å; P391-V393 PolarHBondContact O-N 3.2Å; V393-K395 HydrophobicContact CG2-CD 4.36Å; V393-K395 HydrophobicContact CG2-CG 3.65Å; V393-V468 HydrophobicContact CB-CG1 4.1Å; V393-V468 HydrophobicContact CG2-CB 3.81Å; V393-V468 HydrophobicContact CG2-CG1 3.74Å; V393-V468 WeakPolarHBondContact CG2-O 3.37Å; V393-N470 HydrophobicContact CB-CB 4.38Å; V393-N470 HydrophobicContact CG1-CB 4.06Å; V393-N496 PolarHBondContact O-ND2 2.94Å
394	G	83.4	Confident	80.4	Confident	12 Å²	12	35.8 Å²	35.8	12%	0.124	20%	0.196	C	C	.	.	S	Bend	trans	101.6	21.1	-177.9	0	0	0	0	0	115.3	N392 S396 S397 L398	N392-G394 VanDerWaalsContact C-N 3.25Å; N392-G394 PolarHBondContact O-N 3.38Å; G394-S396 PolarHBondContact O-N 3.39Å; G394-S397 PolarHBondContact O-N 3.05Å; G394-L398 PolarHBondContact O-N 3.09Å
395	K	81.6	Confident	78.9	Confident	40 Å²	40	38.8 Å²	38.8	17%	0.174	21%	0.207	C	C	.	.	H	α-helix	trans	-53.4	-50.3	172.9	-63.4	-179.8	-66.8	-175.6	0	112.3	I387 G389 V393 S397 L398 L399 V468	I387-K395 HydrophobicContact CG2-CB 4.17Å; I387-K395 HydrophobicContact CG2-CG 4.18Å; G389-K395 WeakPolarHBondContact O-CD 3.08Å; G389-K395 VanDerWaalsContact O-CE 3.26Å; G389-K395 WeakPolarHBondContact O-CE 3.11Å; G389-K395 PolarHBondContact O-NZ 3.46Å; V393-K395 HydrophobicContact CG2-CD 4.36Å; V393-K395 HydrophobicContact CG2-CG 3.65Å; K395-S397 VanDerWaalsContact C-N 3.33Å; K395-S397 PolarHBondContact O-N 3.04Å; K395-L398 PolarHBondContact O-N 3.22Å; K395-L399 WeakPolarHBondContact O-CB 3.45Å; K395-L399 PolarHBondContact O-N 3.13Å; K395-V468 HydrophobicContact CG-CB 4.42Å; K395-V468 HydrophobicContact CG-CG2 4.45Å
396	S	71.8	Confident	77.1	Confident	57 Å²	57	44.8 Å²	44.8	40%	0.399	24%	0.235	S	C	.	.	H	α-helix	trans	-64.5	-38.2	-178.9	-43.3	0	0	0	0	111.9	G394 L399 N400	G394-S396 PolarHBondContact O-N 3.39Å; S396-L399 PolarHBondContact O-N 2.73Å; S396-N400 WeakPolarHBondContact O-CB 3.48Å; S396-N400 VanDerWaalsContact O-CG 3.24Å; S396-N400 PolarHBondContact O-N 2.8Å; S396-N400 PolarHBondContact O-ND2 2.96Å
397	S	80.4	Confident	75.1	Confident	65 Å²	65	53.7 Å²	53.7	46%	0.455	27%	0.274	S	S	.	.	H	α-helix	trans	-63.8	-43.6	174.1	-51.3	0	0	0	0	111.5	G394 K395 N400 Y401 V523	G394-S397 PolarHBondContact O-N 3.05Å; K395-S397 VanDerWaalsContact C-N 3.33Å; K395-S397 PolarHBondContact O-N 3.04Å; S397-N400 PolarHBondContact O-N 3.33Å; S397-Y401 WeakPolarHBondContact O-CB 3.33Å; S397-Y401 PolarHBondContact O-N 3.28Å; S397-V523 WeakPolarHBondContact O-CG1 3.41Å
398	L	83.7	Confident	73	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.2	-43.9	178.1	178.7	64.1	0	0	0	111.3	I387 G394 K395 Y401 L402 V468 L494 I521 V523 L529 L532	I387-L398 HydrophobicContact CG2-CD2 4.25Å; G394-L398 PolarHBondContact O-N 3.09Å; K395-L398 PolarHBondContact O-N 3.22Å; L398-Y401 WeakPolarHBondContact O-CB 3.27Å; L398-Y401 PolarHBondContact O-N 2.89Å; L398-L402 HydrophobicContact CD1-CG 4.48Å; L398-L402 HydrophobicContact CG-CD1 4.3Å; L398-L402 WeakPolarHBondContact O-CB 3.45Å; L398-L402 WeakPolarHBondContact O-CG 3.31Å; L398-L402 PolarHBondContact O-N 3.35Å; L398-V468 HydrophobicContact CD2-CG2 3.81Å; L398-L494 HydrophobicContact CD2-CD1 3.52Å; L398-I521 HydrophobicContact CD1-CD1 4.31Å; L398-V523 HydrophobicContact CB-CG2 4.06Å; L398-V523 HydrophobicContact CD1-CG2 4.14Å; L398-L529 HydrophobicContact CD1-CD2 4Å; L398-L532 HydrophobicContact CD1-CD2 4.08Å
399	L	77.2	Confident	71.1	Confident	9 Å²	9	56.7 Å²	56.7	5%	0.047	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-46.3	176.4	-178.3	145.6	0	0	0	111.2	I387 K395 S396 Y401 L402 L403 L434 T437 I440	I387-L399 HydrophobicContact CD1-CB 4.15Å; I387-L399 HydrophobicContact CD1-CD1 4.42Å; K395-L399 WeakPolarHBondContact O-CB 3.45Å; K395-L399 PolarHBondContact O-N 3.13Å; S396-L399 PolarHBondContact O-N 2.73Å; L399-Y401 VanDerWaalsContact C-N 3.31Å; L399-Y401 PolarHBondContact O-N 3.43Å; L399-L402 PolarHBondContact O-N 2.93Å; L399-L403 HydrophobicContact CD2-CD1 3.44Å; L399-L403 VanDerWaalsContact CD2-CD1 3.44Å; L399-L403 HydrophobicContact CD2-CG 4.19Å; L399-L403 HydrophobicContact CG-CD1 4.35Å; L399-L403 WeakPolarHBondContact O-CG 3.16Å; L399-L403 PolarHBondContact O-N 2.86Å; L399-L434 HydrophobicContact CD1-CD1 4.06Å; L399-L434 HydrophobicContact CG-CD1 4.26Å; L399-T437 HydrophobicContact CD1-CG2 4.25Å; L399-I440 HydrophobicContact CD1-CD1 3.63Å; L399-I440 HydrophobicContact CD1-CG2 4.43Å; L399-I440 HydrophobicContact CD2-CG2 4.31Å
400	N	76.2	Confident	69.1	Low	73 Å²	73	59.9 Å²	59.9	39%	0.39	31%	0.311	S	S	.	.	H	α-helix	trans	-62.2	-38.9	175.5	-73.6	-15.4	0	0	0	111.8	S396 S397 L403 H404	S396-N400 WeakPolarHBondContact O-CB 3.48Å; S396-N400 VanDerWaalsContact O-CG 3.24Å; S396-N400 PolarHBondContact O-N 2.8Å; S396-N400 PolarHBondContact O-ND2 2.96Å; S397-N400 PolarHBondContact O-N 3.33Å; N400-L403 PolarHBondContact O-N 3.17Å; N400-H404 VanDerWaalsContact O-CB 3.28Å; N400-H404 WeakPolarHBondContact O-CB 3.49Å; N400-H404 PolarHBondContact O-CD2 2.99Å; N400-H404 PolarHBondContact O-N 2.93Å
401	Y	80.9	Confident	67	Low	21 Å²	21	60.3 Å²	60.3	8%	0.082	32%	0.319	C	S	.	.	H	α-helix	trans	-58.5	-51.5	173.6	172.3	-96.2	0	0	0	111.4	S397 L398 L399 L403 H404 E405 K526 L529	S397-Y401 WeakPolarHBondContact O-CB 3.33Å; S397-Y401 PolarHBondContact O-N 3.28Å; L398-Y401 WeakPolarHBondContact O-CB 3.27Å; L398-Y401 PolarHBondContact O-N 2.89Å; L399-Y401 VanDerWaalsContact C-N 3.31Å; L399-Y401 PolarHBondContact O-N 3.43Å; Y401-L403 VanDerWaalsContact C-N 3.28Å; Y401-L403 PolarHBondContact O-N 3.28Å; Y401-H404 PolarHBondContact O-N 3.39Å; Y401-H404 VanDerWaalsContact O-N 3.16Å; Y401-E405 HydrophobicContact CD2-CG 4.15Å; Y401-E405 HydrophobicContact CE2-CG 3.65Å; Y401-E405 WeakPolarHBondContact CE2-OE2 3.4Å; Y401-E405 PolarHBondContact O-N 3.37Å; Y401-E405 PolarHBondContact OH-OE2 3.06Å; Y401-K526 HydrophobicContact CE2-CD 4.34Å; Y401-K526 HydrophobicContact CE2-CG 4.43Å; Y401-L529 HydrophobicContact CD1-CB 4.5Å; Y401-L529 HydrophobicContact CD1-CD1 3.77Å; Y401-L529 HydrophobicContact CD1-CD2 4.23Å; Y401-L529 HydrophobicContact CD1-CG 4.39Å; Y401-L529 HydrophobicContact CD2-CD1 3.56Å; Y401-L529 HydrophobicContact CE1-CB 3.69Å; Y401-L529 HydrophobicContact CE1-CD1 3.61Å; Y401-L529 HydrophobicContact CE1-CD2 4.23Å; Y401-L529 HydrophobicContact CE1-CG 4.03Å; Y401-L529 HydrophobicContact CE2-CB 4.49Å; Y401-L529 HydrophobicContact CE2-CD1 3.4Å; Y401-L529 VanDerWaalsContact CE2-CD1 3.4Å; Y401-L529 HydrophobicContact CG-CD1 3.75Å; Y401-L529 VanDerWaalsContact CZ-CD1 3.43Å
402	L	78.4	Confident	65.3	Low	9 Å²	9	66.4 Å²	66.4	5%	0.047	34%	0.344	C	S	.	.	H	α-helix	trans	-59.2	-37.7	178.2	-72.4	177.7	0	0	0	111.9	I387 L398 L399 V425 V427 L466	I387-L402 HydrophobicContact CD1-CD1 4.08Å; L398-L402 HydrophobicContact CD1-CG 4.48Å; L398-L402 HydrophobicContact CG-CD1 4.3Å; L398-L402 WeakPolarHBondContact O-CB 3.45Å; L398-L402 WeakPolarHBondContact O-CG 3.31Å; L398-L402 PolarHBondContact O-N 3.35Å; L399-L402 PolarHBondContact O-N 2.93Å; L402-V425 HydrophobicContact CB-CG1 4.06Å; L402-V425 HydrophobicContact CB-CG2 4.31Å; L402-V425 WeakPolarHBondContact O-CG1 3.4Å; L402-V427 HydrophobicContact CD2-CG2 3.99Å; L402-L466 HydrophobicContact CD1-CD1 4.47Å
403	L	73.1	Confident	63.3	Low	32 Å²	32	64.9 Å²	64.9	17%	0.168	34%	0.335	C	S	.	.	H	α-helix	trans	-71.5	-34.6	176.6	-73.2	174.3	0	0	0	113.7	L399 N400 Y401 A408 V425	L399-L403 HydrophobicContact CD2-CD1 3.44Å; L399-L403 VanDerWaalsContact CD2-CD1 3.44Å; L399-L403 HydrophobicContact CD2-CG 4.19Å; L399-L403 HydrophobicContact CG-CD1 4.35Å; L399-L403 WeakPolarHBondContact O-CG 3.16Å; L399-L403 PolarHBondContact O-N 2.86Å; N400-L403 PolarHBondContact O-N 3.17Å; Y401-L403 VanDerWaalsContact C-N 3.28Å; Y401-L403 PolarHBondContact O-N 3.28Å; L403-A408 HydrophobicContact CB-CB 4.37Å; L403-A408 HydrophobicContact CD2-CB 3.49Å; L403-A408 VanDerWaalsContact CD2-CB 3.49Å; L403-V425 HydrophobicContact CD2-CG2 3.79Å; L403-V425 HydrophobicContact CG-CG2 4.35Å
404	H	66.5	Low	60.8	Low	147 Å²	147	69.3 Å²	69.3	68%	0.681	37%	0.372	S	S	*	.	H	α-helix	trans	-88.4	-29.9	-168.3	-73.8	-45.8	0	0	0	115	N400 Y401	N400-H404 VanDerWaalsContact O-CB 3.28Å; N400-H404 WeakPolarHBondContact O-CB 3.49Å; N400-H404 PolarHBondContact O-CD2 2.99Å; N400-H404 PolarHBondContact O-N 2.93Å; Y401-H404 PolarHBondContact O-N 3.39Å; Y401-H404 VanDerWaalsContact O-N 3.16Å
405	E	55.5	Low	58.6	Low	89 Å²	89	71.4 Å²	71.4	42%	0.416	39%	0.393	S	S	.	.	H	α-helix	trans	-76	-32.2	-170.5	-74.6	-141.6	150	0	0	115.3	Y401 K526	Y401-E405 HydrophobicContact CD2-CG 4.15Å; Y401-E405 HydrophobicContact CE2-CG 3.65Å; Y401-E405 WeakPolarHBondContact CE2-OE2 3.4Å; Y401-E405 PolarHBondContact O-N 3.37Å; Y401-E405 PolarHBondContact OH-OE2 3.06Å; E405-K526 IonicContact OE1-NZ 3.41Å; E405-K526 PolarHBondContact OE1-NZ 2.96Å
406	E	49.4	Very low	56.5	Low	128 Å²	128	74.8 Å²	74.8	60%	0.598	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.4	97.3	172.5	-72	-167.5	161.2	0	0	111.6	A408	E406-A408 PolarHBondContact O-N 3.22Å
407	K	44.1	Very low	54.7	Low	188 Å²	188	78.4 Å²	78.4	82%	0.817	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.3	68.7	163.8	-66.9	179.3	178.3	175.1	0	113.5	I409	K407-I409 PolarHBondContact O-N 3.34Å
408	A	40.3	Very low	52.4	Low	18 Å²	18	86.6 Å²	86.6	15%	0.149	46%	0.458	C	S	.	.			trans	-54.1	116.1	151.9	0	0	0	0	0	106.7	L403 E406 V410	L403-A408 HydrophobicContact CB-CB 4.37Å; L403-A408 HydrophobicContact CD2-CB 3.49Å; L403-A408 VanDerWaalsContact CD2-CB 3.49Å; E406-A408 PolarHBondContact O-N 3.22Å; A408-V410 HydrophobicContact CB-CG2 3.95Å; A408-V410 PolarHBondContact O-N 3.12Å
409	I	44.1	Very low	50.2	Low	76 Å²	76	92.9 Å²	92.9	39%	0.39	49%	0.492	S	S	.	.			trans	-73.5	77.7	169.5	-51.9	179.6	0	0	0	105.1	K301 K407 T411	K301-I409 HydrophobicContact CD-CB 4.43Å; K301-I409 HydrophobicContact CD-CD1 4.06Å; K407-I409 PolarHBondContact O-N 3.34Å; I409-T411 HydrophobicContact CG2-CG2 4Å; I409-T411 PolarHBondContact O-N 3.37Å
410	V	39.1	Very low	48.5	Very low	72 Å²	72	98.2 Å²	98.2	44%	0.436	53%	0.525	S	S	.	.			trans	-67.5	101.2	168.3	-174.3	0	0	0	0	105	A408 E412	A408-V410 HydrophobicContact CB-CG2 3.95Å; A408-V410 PolarHBondContact O-N 3.12Å; V410-E412 HydrophobicContact CG1-CG 4.22Å; V410-E412 PolarHBondContact O-N 3.25Å; V410-E412 VanDerWaalsContact O-N 3.13Å
411	T	39.5	Very low	47.1	Very low	59 Å²	59	99.8 Å²	99.8	36%	0.362	53%	0.532	S	S	.	.			trans	-77.8	99.2	172.9	61.7	0	0	0	0	107.1	I409 I413	I409-T411 HydrophobicContact CG2-CG2 4Å; I409-T411 PolarHBondContact O-N 3.37Å; T411-I413 PolarHBondContact O-N 3.02Å
412	E	38.4	Very low	46	Very low	164 Å²	164	102.6 Å²	102.6	77%	0.766	55%	0.546	S	S	*	.			trans	-75.1	10.8	172.5	-73.3	-156.7	148.9	0	0	113.5	V410 A414	V410-E412 HydrophobicContact CG1-CG 4.22Å; V410-E412 PolarHBondContact O-N 3.25Å; V410-E412 VanDerWaalsContact O-N 3.13Å; E412-A414 PolarHBondContact O-N 2.84Å
413	I	40.7	Very low	45.6	Very low	103 Å²	103	103.3 Å²	103.3	53%	0.528	55%	0.549	S	S	.	.			trans	-79.7	91.5	-168	-51.6	179.7	0	0	0	110.6	T411 G415	T411-I413 PolarHBondContact O-N 3.02Å; I413-G415 PolarHBondContact O-N 3.28Å
414	A	32.8	Very low	45.8	Very low	94 Å²	94	103.2 Å²	103.2	78%	0.777	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	123	153.1	0	0	0	0	0	109.5	E412	E412-A414 PolarHBondContact O-N 2.84Å
415	G	36.8	Very low	46.5	Very low	56 Å²	56	96.3 Å²	96.3	58%	0.577	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	151.6	-22	170.4	0	0	0	0	0	117	I413 T417	I413-G415 PolarHBondContact O-N 3.28Å; G415-T417 PolarHBondContact O-N 3.09Å
416	T	37.2	Very low	47.8	Very low	111 Å²	111	93.3 Å²	93.3	68%	0.681	50%	0.502	S	S	*	.	S	Bend	trans	-81.4	100.8	163.8	46.8	0	0	0	0	107.9	R418	T416-R418 PolarHBondContact O-N 3.38Å
417	T	33.6	Very low	49.4	Very low	133 Å²	133	87.3 Å²	87.3	82%	0.816	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	98.1	173.4	50.4	0	0	0	0	109.7	G415	G415-T417 PolarHBondContact O-N 3.09Å
418	R	32.9	Very low	51.1	Low	236 Å²	236	84.6 Å²	84.6	89%	0.891	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	134.1	-4.1	147.1	-74.1	178.3	173.8	179.8	-0.8	118.1	T416	T416-R418 PolarHBondContact O-N 3.38Å
419	D	37.2	Very low	52.9	Low	133 Å²	133	84.1 Å²	84.1	71%	0.711	46%	0.455	S	S	*	.			trans	-101.2	134.9	-177.4	-62.9	-35.8	0	0	0	112.6
420	V	41.1	Very low	54.8	Low	121 Å²	121	80.6 Å²	80.6	73%	0.733	44%	0.437	S	S	*	.			trans	-46.8	137	173.4	177.3	0	0	0	0	109	E422	V420-E422 VanDerWaalsContact C-N 3.33Å; V420-E422 PolarHBondContact O-N 3.13Å
421	I	47.2	Very low	57	Low	105 Å²	105	77.2 Å²	77.2	54%	0.538	42%	0.417	S	S	.	.			trans	-63.4	100.3	170.7	-61.5	173.1	0	0	0	106.4
422	E	58.9	Low	59.2	Low	80 Å²	80	74.4 Å²	74.4	37%	0.374	40%	0.4	S	S	.	.			trans	-82.7	120.6	174.4	-62.2	-173.6	163.6	0	0	108.5	V420 Y424 K433	V420-E422 VanDerWaalsContact C-N 3.33Å; V420-E422 PolarHBondContact O-N 3.13Å; E422-Y424 HydrophobicContact CB-CD2 4.38Å; E422-Y424 HydrophobicContact CB-CE2 3.82Å; E422-Y424 PolarHBondContact OE2-OH 3.35Å; E422-K433 VanDerWaalsContact OE1-CE 3.29Å; E422-K433 WeakPolarHBondContact OE1-CE 3.28Å; E422-K433 IonicContact OE1-NZ 3.02Å; E422-K433 PolarHBondContact OE1-NZ 3.47Å; E422-K433 WeakPolarHBondContact OE2-CE 3.36Å; E422-K433 IonicContact OE2-NZ 2.69Å; E422-K433 PolarHBondContact OE2-NZ 2.96Å
423	E	69.8	Low	61.4	Low	24 Å²	24	68.9 Å²	68.9	11%	0.112	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.1	178.2	-75.6	177.3	-147.9	0	0	110.4	L434 T437	E423-L434 HydrophobicContact CB-CB 4.41Å; E423-L434 HydrophobicContact CB-CD1 4.39Å; E423-L434 PolarHBondContact O-N 3.48Å; E423-T437 HydrophobicContact CB-CG2 4.14Å; E423-T437 HydrophobicContact CG-CG2 4.38Å; E423-T437 WeakPolarHBondContact OE1-CB 3.42Å; E423-T437 PolarHBondContact OE1-OG1 2.94Å; E423-T437 WeakPolarHBondContact OE2-CG2 3.35Å
424	Y	77.3	Confident	63.2	Low	30 Å²	30	64.5 Å²	64.5	12%	0.118	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.8	179	-75.8	-95.5	0	0	0	110.8	K301 E381 E422 P431 L432 K433	K301-Y424 HydrophobicContact CB-CD1 4.4Å; K301-Y424 HydrophobicContact CD-CG 4.36Å; K301-Y424 HydrophobicContact CG-CD1 3.95Å; K301-Y424 HydrophobicContact CG-CE1 4.4Å; K301-Y424 HydrophobicContact CG-CG 3.99Å; E381-Y424 PolarHBondContact O-OH 3.05Å; E422-Y424 HydrophobicContact CB-CD2 4.38Å; E422-Y424 HydrophobicContact CB-CE2 3.82Å; E422-Y424 PolarHBondContact OE2-OH 3.35Å; Y424-P431 HydrophobicContact CD1-CB 4.36Å; Y424-L432 VanDerWaalsContact CA-O 3.3Å; Y424-L432 WeakPolarHBondContact CA-O 3.42Å; Y424-K433 HydrophobicContact CD1-CB 4.2Å; Y424-K433 HydrophobicContact CE1-CB 3.76Å; Y424-K433 HydrophobicContact CE1-CD 4.47Å; Y424-K433 HydrophobicContact CE1-CG 4.18Å
425	V	79.8	Confident	65.1	Low	2 Å²	2	61.5 Å²	61.5	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.9	170.5	177.1	0	0	0	0	109.7	L402 L403 V427 L432 L434	L402-V425 HydrophobicContact CB-CG1 4.06Å; L402-V425 HydrophobicContact CB-CG2 4.31Å; L402-V425 WeakPolarHBondContact O-CG1 3.4Å; L403-V425 HydrophobicContact CD2-CG2 3.79Å; L403-V425 HydrophobicContact CG-CG2 4.35Å; V425-V427 HydrophobicContact CG1-CG2 3.85Å; V425-L432 PolarHBondContact N-O 2.78Å; V425-L432 PolarHBondContact O-N 3.44Å; V425-L434 HydrophobicContact CG2-CD1 3.97Å
426	N	82.7	Confident	66.2	Low	27 Å²	27	63.5 Å²	63.5	14%	0.144	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	114.4	170	177.9	19.8	0	0	0	109.9	T302 G429	T302-N426 HydrophobicContact CG2-CB 4Å; T302-N426 VanDerWaalsContact CG2-OD1 3.3Å; T302-N426 WeakPolarHBondContact CG2-OD1 3.28Å; N426-G429 WeakPolarHBondContact OD1-CA 3.13Å; N426-G429 PolarHBondContact OD1-N 3.17Å
427	V	83.6	Confident	66.8	Low	1 Å²	1	59 Å²	59	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	103.8	173.2	-179.9	0	0	0	0	108.9	L402 V425 G429 V430 L432 E533 I536	L402-V427 HydrophobicContact CD2-CG2 3.99Å; V425-V427 HydrophobicContact CG1-CG2 3.85Å; V427-G429 PolarHBondContact O-N 3.33Å; V427-V430 PolarHBondContact N-O 3.28Å; V427-V430 WeakPolarHBondContact O-CB 3.3Å; V427-V430 PolarHBondContact O-N 3.28Å; V427-L432 HydrophobicContact CB-CD1 4.14Å; V427-L432 HydrophobicContact CB-CG 4.36Å; V427-L432 HydrophobicContact CG2-CD1 3.43Å; V427-L432 VanDerWaalsContact CG2-CD1 3.43Å; V427-L432 HydrophobicContact CG2-CG 3.97Å; V427-E533 HydrophobicContact CG1-CB 3.73Å; V427-E533 HydrophobicContact CG1-CG 3.81Å; V427-I536 HydrophobicContact CB-CG2 4.33Å; V427-I536 HydrophobicContact CG1-CB 4.24Å; V427-I536 HydrophobicContact CG1-CD1 4.22Å; V427-I536 HydrophobicContact CG1-CG2 4.04Å
428	R	79.6	Confident	67.3	Low	131 Å²	131	56.9 Å²	56.9	49%	0.494	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	35.6	178.9	-60.2	-74	176.4	160.2	3.4	113.5	D530 E533 A537	R428-D530 IonicContact NH2-OD1 2.72Å; R428-D530 PolarHBondContact NH2-OD1 2.93Å; R428-E533 HydrophobicContact CG-CB 3.82Å; R428-E533 IonicContact CZ-OE2 3.94Å; R428-E533 IonicContact NE-OE2 3.1Å; R428-E533 PolarHBondContact NE-OE2 2.96Å; R428-E533 IonicContact NH2-OE2 2.87Å; R428-E533 PolarHBondContact NH2-OE2 2.73Å; R428-A537 HydrophobicContact CB-CB 3.88Å
429	G	78.2	Confident	67.6	Low	9 Å²	9	47.8 Å²	47.8	9%	0.093	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-4.1	-179	0	0	0	0	0	115.2	T302 N426 V427	T302-G429 WeakPolarHBondContact CB-O 3.36Å; T302-G429 WeakPolarHBondContact CG2-O 3.33Å; T302-G429 PolarHBondContact OG1-O 3.45Å; T302-G429 VanDerWaalsContact OG1-O 3.05Å; N426-G429 WeakPolarHBondContact OD1-CA 3.13Å; N426-G429 PolarHBondContact OD1-N 3.17Å; V427-G429 PolarHBondContact O-N 3.33Å
430	V	83.6	Confident	67.8	Low	2 Å²	2	44.1 Å²	44.1	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120	173	-172.1	0	0	0	0	109.5	V427 L432 I536 F540 F541	V427-V430 PolarHBondContact N-O 3.28Å; V427-V430 WeakPolarHBondContact O-CB 3.3Å; V427-V430 PolarHBondContact O-N 3.28Å; V430-L432 HydrophobicContact CG1-CD2 3.86Å; V430-L432 PolarHBondContact O-N 3.39Å; V430-I536 HydrophobicContact CB-CG2 4.43Å; V430-I536 HydrophobicContact CG2-CG2 4.43Å; V430-F540 HydrophobicContact CB-CD2 4.48Å; V430-F540 HydrophobicContact CG1-CD2 3.74Å; V430-F540 HydrophobicContact CG1-CE2 4.43Å; V430-F540 HydrophobicContact CG1-CG 4.12Å; V430-F540 HydrophobicContact CG2-CB 4.19Å; V430-F540 HydrophobicContact CG2-CD2 4.03Å; V430-F540 HydrophobicContact CG2-CG 4.41Å; V430-F541 HydrophobicContact CG2-CD2 4.14Å; V430-F541 HydrophobicContact CG2-CE2 3.3Å; V430-F541 HydrophobicContact CG2-CZ 3.74Å
431	P	85.4	Confident	67.7	Low	1 Å²	1	46.5 Å²	46.5	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	107.7	170.9	25.2	-26.3	0	0	0	110.1	K301 T302 I378 G382 L383 Y424	K301-P431 HydrophobicContact CB-CB 4.18Å; T302-P431 HydrophobicContact CG2-CB 3.8Å; T302-P431 HydrophobicContact CG2-CG 4.11Å; I378-P431 WeakPolarHBondContact O-CG 3.32Å; G382-P431 CarbonylContact C-O 3.51Å; G382-P431 WeakPolarHBondContact CA-O 3.48Å; L383-P431 PolarHBondContact N-O 3.29Å; Y424-P431 HydrophobicContact CD1-CB 4.36Å
432	L	86.1	Confident	67.3	Low	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	118.7	170.7	-55.1	-174.2	0	0	0	109.2	L383 Y424 V425 V427 V430 I536	L383-L432 HydrophobicContact CB-CD2 4.35Å; L383-L432 HydrophobicContact CD2-CD2 3.67Å; Y424-L432 VanDerWaalsContact CA-O 3.3Å; Y424-L432 WeakPolarHBondContact CA-O 3.42Å; V425-L432 PolarHBondContact N-O 2.78Å; V425-L432 PolarHBondContact O-N 3.44Å; V427-L432 HydrophobicContact CB-CD1 4.14Å; V427-L432 HydrophobicContact CB-CG 4.36Å; V427-L432 HydrophobicContact CG2-CD1 3.43Å; V427-L432 VanDerWaalsContact CG2-CD1 3.43Å; V427-L432 HydrophobicContact CG2-CG 3.97Å; V430-L432 HydrophobicContact CG1-CD2 3.86Å; V430-L432 PolarHBondContact O-N 3.39Å; L432-I536 HydrophobicContact CD1-CD1 4.25Å; L432-I536 HydrophobicContact CD2-CG2 4.02Å
433	K	84.2	Confident	66.1	Low	47 Å²	47	51.8 Å²	51.8	20%	0.204	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	107.1	172	177.9	178.1	176.1	155.6	0	108.2	L383 T385 E422 Y424 I435	L383-K433 PolarHBondContact O-N 2.91Å; T385-K433 PolarHBondContact N-O 3.38Å; E422-K433 VanDerWaalsContact OE1-CE 3.29Å; E422-K433 WeakPolarHBondContact OE1-CE 3.28Å; E422-K433 IonicContact OE1-NZ 3.02Å; E422-K433 PolarHBondContact OE1-NZ 3.47Å; E422-K433 WeakPolarHBondContact OE2-CE 3.36Å; E422-K433 IonicContact OE2-NZ 2.69Å; E422-K433 PolarHBondContact OE2-NZ 2.96Å; Y424-K433 HydrophobicContact CD1-CB 4.2Å; Y424-K433 HydrophobicContact CE1-CB 3.76Å; Y424-K433 HydrophobicContact CE1-CD 4.47Å; Y424-K433 HydrophobicContact CE1-CG 4.18Å; K433-I435 PolarHBondContact O-N 2.94Å
434	L	79.5	Confident	64.5	Low	11 Å²	11	59.3 Å²	59.3	6%	0.058	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	119.2	-177.4	-60	179.1	0	0	0	110.1	I387 L399 E423 V425 T437	I387-L434 HydrophobicContact CD1-CD2 4.33Å; L399-L434 HydrophobicContact CD1-CD1 4.06Å; L399-L434 HydrophobicContact CG-CD1 4.26Å; E423-L434 HydrophobicContact CB-CB 4.41Å; E423-L434 HydrophobicContact CB-CD1 4.39Å; E423-L434 PolarHBondContact O-N 3.48Å; V425-L434 HydrophobicContact CG2-CD1 3.97Å; L434-T437 HydrophobicContact CB-CG2 3.79Å; L434-T437 HydrophobicContact CD1-CG2 4.3Å
435	I	72.5	Confident	62.7	Low	31 Å²	31	62.7 Å²	62.7	16%	0.159	33%	0.332	C	S	.	.	S	Bend	trans	-81.9	125.4	176.2	-60.6	164	0	0	0	109.2	T385 K433 A458 E461 A462	T385-I435 PolarHBondContact O-N 3.16Å; T385-I435 VanDerWaalsContact O-N 3.09Å; K433-I435 PolarHBondContact O-N 2.94Å; I435-A458 HydrophobicContact CG2-CB 4.48Å; I435-E461 HydrophobicContact CD1-CB 4.04Å; I435-E461 WeakPolarHBondContact CD1-O 3.37Å; I435-A462 VanDerWaalsContact CD1-CA 3.49Å; I435-A462 HydrophobicContact CD1-CB 3.71Å
436	D	60.4	Low	60.6	Low	99 Å²	99	68 Å²	68	53%	0.529	37%	0.365	S	S	.	.			trans	66.5	60	168.2	-156.9	13.9	0	0	0	116.4	A438	D436-A438 VanDerWaalsContact C-N 3.32Å
437	T	48.9	Very low	58.6	Low	16 Å²	16	69.4 Å²	69.4	10%	0.098	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-81.3	-5.1	175.4	61.8	0	0	0	0	114.5	L399 E423 L434 G439 I440	L399-T437 HydrophobicContact CD1-CG2 4.25Å; E423-T437 HydrophobicContact CB-CG2 4.14Å; E423-T437 HydrophobicContact CG-CG2 4.38Å; E423-T437 WeakPolarHBondContact OE1-CB 3.42Å; E423-T437 PolarHBondContact OE1-OG1 2.94Å; E423-T437 WeakPolarHBondContact OE2-CG2 3.35Å; L434-T437 HydrophobicContact CB-CG2 3.79Å; L434-T437 HydrophobicContact CD1-CG2 4.3Å; T437-G439 PolarHBondContact O-N 3.16Å; T437-I440 PolarHBondContact O-N 2.93Å
438	A	44.2	Very low	56.7	Low	89 Å²	89	74.3 Å²	74.3	74%	0.736	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-59.7	-20	-177.1	0	0	0	0	0	113.6	D436	D436-A438 VanDerWaalsContact C-N 3.32Å
439	G	40.4	Very low	54.9	Low	44 Å²	44	78.7 Å²	78.7	45%	0.454	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-97.1	-1.6	178.1	0	0	0	0	0	116.5	T437	T437-G439 PolarHBondContact O-N 3.16Å
440	I	40.6	Very low	52.9	Low	56 Å²	56	82.2 Å²	82.2	29%	0.287	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-10.3	-173.2	-56.1	174.7	0	0	0	112.3	L399 T437 E442	L399-I440 HydrophobicContact CD1-CD1 3.63Å; L399-I440 HydrophobicContact CD1-CG2 4.43Å; L399-I440 HydrophobicContact CD2-CG2 4.31Å; T437-I440 PolarHBondContact O-N 2.93Å; I440-E442 PolarHBondContact O-N 3.32Å
441	R	39.6	Very low	51.1	Low	171 Å²	171	83.6 Å²	83.6	65%	0.645	44%	0.444	S	S	*	.	S	Bend	trans	-63.6	127.4	162	-71.7	-171.7	-178.6	-155	-1.7	108.5	T443	R441-T443 PolarHBondContact O-N 3Å; R441-T443 PolarHBondContact O-OG1 3.49Å
442	E	37	Very low	49.4	Very low	199 Å²	199	85.7 Å²	85.7	93%	0.93	46%	0.457	S	S	*	.			trans	-38.2	94.8	178.1	-72.6	179.2	155.5	0	0	111.1	I440	I440-E442 PolarHBondContact O-N 3.32Å
443	T	34	Very low	47.9	Very low	98 Å²	98	92.7 Å²	92.7	60%	0.601	49%	0.489	S	S	*	.			trans	-126.2	114.8	166.6	40.3	0	0	0	0	104.1	R441 D445	R441-T443 PolarHBondContact O-N 3Å; R441-T443 PolarHBondContact O-OG1 3.49Å; T443-D445 PolarHBondContact O-N 3.14Å
444	D	37.4	Very low	46.5	Very low	181 Å²	181	95.9 Å²	95.9	97%	0.968	50%	0.5	S	S	*	.			trans	-66.1	31.5	177	-74	-42.4	0	0	0	112.2
445	D	39.3	Very low	45.6	Very low	101 Å²	101	96.2 Å²	96.2	54%	0.54	50%	0.503	S	S	.	.			trans	-100	141.6	-161.1	-144.3	-16	0	0	0	112	T443 V447	T443-D445 PolarHBondContact O-N 3.14Å; D445-V447 HydrophobicContact CB-CB 4.46Å; D445-V447 HydrophobicContact CB-CG2 3.93Å; D445-V447 PolarHBondContact O-N 2.84Å
446	V	36.3	Very low	45.2	Very low	115 Å²	115	102.4 Å²	102.4	70%	0.697	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-62	4.7	-177.3	176.8	0	0	0	0	112.7	E448 R449	V446-E448 VanDerWaalsContact C-N 3.33Å; V446-E448 PolarHBondContact O-N 2.96Å; V446-R449 PolarHBondContact O-N 3.32Å
447	V	38.9	Very low	45.6	Very low	56 Å²	56	104.6 Å²	104.6	34%	0.339	53%	0.529	S	S	.	.	G	3₁₀ helix	trans	-73.4	-16.9	-176.3	-176.5	0	0	0	0	112.9	D445 R449 I450	D445-V447 HydrophobicContact CB-CB 4.46Å; D445-V447 HydrophobicContact CB-CG2 3.93Å; D445-V447 PolarHBondContact O-N 2.84Å; V447-R449 PolarHBondContact O-N 2.96Å; V447-R449 VanDerWaalsContact O-N 3.11Å; V447-I450 PolarHBondContact O-N 3.45Å
448	E	43.8	Very low	46.4	Very low	103 Å²	103	104.5 Å²	104.5	48%	0.481	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-62.4	-17.3	173.3	-96	-162	141.3	0	0	113.5	P391 V446 I450 G451	P391-E448 WeakPolarHBondContact CB-OE2 3.35Å; P391-E448 HydrophobicContact CG-CB 4.46Å; V446-E448 VanDerWaalsContact C-N 3.33Å; V446-E448 PolarHBondContact O-N 2.96Å; E448-I450 PolarHBondContact O-N 3.44Å; E448-I450 VanDerWaalsContact O-N 3.08Å; E448-G451 WeakPolarHBondContact O-CA 3.42Å; E448-G451 PolarHBondContact O-N 3.36Å
449	R	41.9	Very low	47.8	Very low	223 Å²	223	101 Å²	101	84%	0.842	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-68.5	-6.6	179.5	-135.6	-178.7	70.2	-164.4	-0.3	114.5	V446 V447 G451	V446-R449 PolarHBondContact O-N 3.32Å; V447-R449 PolarHBondContact O-N 2.96Å; V447-R449 VanDerWaalsContact O-N 3.11Å; R449-G451 VanDerWaalsContact C-N 3.31Å
450	I	36.8	Very low	49.3	Very low	84 Å²	84	102.3 Å²	102.3	43%	0.431	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-97	14.8	171.7	-43.1	-179.8	0	0	0	110.5	V447 E448 V452 E453 R454	V447-I450 PolarHBondContact O-N 3.45Å; E448-I450 PolarHBondContact O-N 3.44Å; E448-I450 VanDerWaalsContact O-N 3.08Å; I450-V452 VanDerWaalsContact C-N 3.31Å; I450-V452 PolarHBondContact O-N 3.25Å; I450-E453 HydrophobicContact CG2-CB 4.2Å; I450-E453 PolarHBondContact O-N 3.5Å; I450-R454 HydrophobicContact CB-CG 4.45Å; I450-R454 HydrophobicContact CG2-CG 4.11Å; I450-R454 WeakPolarHBondContact O-CB 3.47Å; I450-R454 WeakPolarHBondContact O-CG 3.49Å; I450-R454 PolarHBondContact O-N 3.19Å
451	G	46.6	Very low	50.7	Low	31 Å²	31	104.9 Å²	104.9	32%	0.32	52%	0.523	S	S	.	.	H	α-helix	trans	-54.8	-37.6	-174.6	0	0	0	0	0	114.6	E448 R449 S455	E448-G451 WeakPolarHBondContact O-CA 3.42Å; E448-G451 PolarHBondContact O-N 3.36Å; R449-G451 VanDerWaalsContact C-N 3.31Å; G451-S455 WeakPolarHBondContact O-CB 3.45Å; G451-S455 PolarHBondContact O-N 3.32Å; G451-S455 PolarHBondContact O-OG 3.03Å
452	V	49.8	Very low	52.6	Low	45 Å²	45	97.6 Å²	97.6	27%	0.273	50%	0.499	S	S	.	.	H	α-helix	trans	-75.9	-45.7	-177.5	-176.6	0	0	0	0	112.3	I450 S455 R456	I450-V452 VanDerWaalsContact C-N 3.31Å; I450-V452 PolarHBondContact O-N 3.25Å; V452-S455 PolarHBondContact O-N 3.05Å; V452-R456 PolarHBondContact O-N 3.15Å
453	E	53.1	Low	54.9	Low	146 Å²	146	92.5 Å²	92.5	68%	0.682	48%	0.479	S	S	*	.	H	α-helix	trans	-66.9	-39.5	176.7	-77.7	-168.3	167.7	0	0	112.2	I450 R456 K457	I450-E453 HydrophobicContact CG2-CB 4.2Å; I450-E453 PolarHBondContact O-N 3.5Å; E453-R456 WeakPolarHBondContact O-CB 3.4Å; E453-R456 PolarHBondContact O-N 3.5Å; E453-K457 PolarHBondContact O-N 3.3Å
454	R	55.8	Low	57.5	Low	115 Å²	115	87.8 Å²	87.8	43%	0.434	45%	0.45	S	S	.	.	H	α-helix	trans	-63.9	-41.3	173.3	-75.6	-176.4	178.9	-176.9	-0.9	111.8	I450 R456 K457 A458	I450-R454 HydrophobicContact CB-CG 4.45Å; I450-R454 HydrophobicContact CG2-CG 4.11Å; I450-R454 WeakPolarHBondContact O-CB 3.47Å; I450-R454 WeakPolarHBondContact O-CG 3.49Å; I450-R454 PolarHBondContact O-N 3.19Å; R454-R456 VanDerWaalsContact C-N 3.28Å; R454-R456 PolarHBondContact O-N 2.98Å; R454-K457 PolarHBondContact O-N 3.5Å; R454-K457 VanDerWaalsContact O-N 3.15Å; R454-A458 PolarHBondContact O-N 3.34Å
455	S	59.2	Low	59.9	Low	17 Å²	17	79.3 Å²	79.3	12%	0.119	40%	0.404	C	S	.	.	H	α-helix	trans	-57.9	-43.3	173.9	-63.3	0	0	0	0	110.4	G451 V452 K457 A458 L459	G451-S455 WeakPolarHBondContact O-CB 3.45Å; G451-S455 PolarHBondContact O-N 3.32Å; G451-S455 PolarHBondContact O-OG 3.03Å; V452-S455 PolarHBondContact O-N 3.05Å; S455-K457 VanDerWaalsContact C-N 3.31Å; S455-K457 PolarHBondContact O-N 2.85Å; S455-A458 PolarHBondContact O-N 3.06Å; S455-L459 WeakPolarHBondContact O-CB 3.42Å; S455-L459 WeakPolarHBondContact O-CG 3.3Å; S455-L459 PolarHBondContact O-N 3.26Å
456	R	66.1	Low	62.2	Low	162 Å²	162	74.5 Å²	74.5	61%	0.611	38%	0.379	S	S	*	.	H	α-helix	trans	-60.2	-36.4	177	-73.3	-178.1	-178.6	177.7	1.5	113.9	V452 E453 R454 G460	V452-R456 PolarHBondContact O-N 3.15Å; E453-R456 WeakPolarHBondContact O-CB 3.4Å; E453-R456 PolarHBondContact O-N 3.5Å; R454-R456 VanDerWaalsContact C-N 3.28Å; R454-R456 PolarHBondContact O-N 2.98Å; R456-G460 PolarHBondContact O-N 3.49Å
457	K	66.7	Low	64.8	Low	145 Å²	145	69 Å²	69	63%	0.63	35%	0.345	S	S	*	.	H	α-helix	trans	-68.3	-47.1	175.2	-167.8	-174.3	174.3	-164	0	111.2	E453 R454 S455 L459 G460	E453-K457 PolarHBondContact O-N 3.3Å; R454-K457 PolarHBondContact O-N 3.5Å; R454-K457 VanDerWaalsContact O-N 3.15Å; S455-K457 VanDerWaalsContact C-N 3.31Å; S455-K457 PolarHBondContact O-N 2.85Å; K457-L459 VanDerWaalsContact C-N 3.27Å; K457-L459 PolarHBondContact O-N 2.91Å; K457-G460 PolarHBondContact O-N 3.26Å; K457-G460 VanDerWaalsContact O-N 3.14Å
458	A	67	Low	67.2	Low	14 Å²	14	66.3 Å²	66.3	12%	0.116	33%	0.329	C	S	.	.	H	α-helix	trans	-61.3	-35.7	177.2	0	0	0	0	0	112.4	A386 I435 R454 S455 G460 E461 A462	A386-A458 HydrophobicContact CB-CB 4.33Å; I435-A458 HydrophobicContact CG2-CB 4.48Å; R454-A458 PolarHBondContact O-N 3.34Å; S455-A458 PolarHBondContact O-N 3.06Å; A458-G460 VanDerWaalsContact C-N 3.27Å; A458-G460 PolarHBondContact O-N 3.39Å; A458-E461 PolarHBondContact O-N 3.21Å; A458-A462 WeakPolarHBondContact O-CB 3.44Å; A458-A462 PolarHBondContact O-N 3.39Å; A458-A462 VanDerWaalsContact O-N 3.1Å
459	L	72.6	Confident	69.5	Low	16 Å²	16	61.5 Å²	61.5	8%	0.084	31%	0.307	C	S	.	.	H	α-helix	trans	-61.3	-33.1	175.6	-73.3	174.4	0	0	0	113.2	I388 S455 K457 E461 I465 A485 T486 L489	I388-L459 HydrophobicContact CD1-CD2 3.31Å; I388-L459 HydrophobicContact CD1-CG 3.74Å; S455-L459 WeakPolarHBondContact O-CB 3.42Å; S455-L459 WeakPolarHBondContact O-CG 3.3Å; S455-L459 PolarHBondContact O-N 3.26Å; K457-L459 VanDerWaalsContact C-N 3.27Å; K457-L459 PolarHBondContact O-N 2.91Å; L459-E461 VanDerWaalsContact C-N 3.31Å; L459-I465 HydrophobicContact CD2-CD1 3.34Å; L459-I465 HydrophobicContact CD2-CG1 3.81Å; L459-I465 HydrophobicContact CD2-CG2 4.33Å; L459-A485 HydrophobicContact CD1-CB 4.07Å; L459-T486 HydrophobicContact CD1-CG2 4.19Å; L459-T486 HydrophobicContact CD2-CG2 3.49Å; L459-T486 VanDerWaalsContact CD2-CG2 3.49Å; L459-L489 HydrophobicContact CB-CD1 4.35Å; L459-L489 HydrophobicContact CD2-CD1 4.06Å
460	G	71.7	Confident	71.8	Confident	71 Å²	71	51.2 Å²	51.2	73%	0.732	27%	0.268	S	S	*	.	H	α-helix	trans	-73.7	-22.8	179	0	0	0	0	0	113.9	R456 K457 A458	R456-G460 PolarHBondContact O-N 3.49Å; K457-G460 PolarHBondContact O-N 3.26Å; K457-G460 VanDerWaalsContact O-N 3.14Å; A458-G460 VanDerWaalsContact C-N 3.27Å; A458-G460 PolarHBondContact O-N 3.39Å
461	E	71.7	Confident	74.4	Confident	109 Å²	109	47.8 Å²	47.8	51%	0.509	25%	0.251	S	S	.	.	H	α-helix	trans	-102.9	-14.6	-176.4	-66	175.9	-165.6	0	0	112.8	I435 A458 L459	I435-E461 HydrophobicContact CD1-CB 4.04Å; I435-E461 WeakPolarHBondContact CD1-O 3.37Å; A458-E461 PolarHBondContact O-N 3.21Å; L459-E461 VanDerWaalsContact C-N 3.31Å
462	A	79.3	Confident	76.4	Confident	18 Å²	18	47.2 Å²	47.2	15%	0.149	24%	0.242	C	C	.	.			trans	-88.2	131.6	-173.8	0	0	0	0	0	113.8	A386 I435 A458 I465	A386-A462 HydrophobicContact CB-CB 3.72Å; I435-A462 VanDerWaalsContact CD1-CA 3.49Å; I435-A462 HydrophobicContact CD1-CB 3.71Å; A458-A462 WeakPolarHBondContact O-CB 3.44Å; A458-A462 PolarHBondContact O-N 3.39Å; A458-A462 VanDerWaalsContact O-N 3.1Å; A462-I465 HydrophobicContact CB-CG1 4.25Å
463	D	84.9	Confident	78.3	Confident	92 Å²	92	48.6 Å²	48.6	49%	0.492	25%	0.245	S	C	.	.	S	Bend	trans	-81.8	-26.3	170.7	-61.5	-60.6	0	0	0	112	L383 S384	L383-D463 HydrophobicContact CD1-CB 3.67Å; L383-D463 HydrophobicContact CG-CB 4.38Å; S384-D463 VanDerWaalsContact CB-OD2 3.26Å; S384-D463 WeakPolarHBondContact CB-OD2 3.47Å; S384-D463 PolarHBondContact N-OD2 2.76Å; S384-D463 PolarHBondContact O-N 3.32Å; S384-D463 PolarHBondContact OG-OD2 2.76Å
464	L	87.6	Confident	79.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135.7	177.1	175.5	67.9	0	0	0	111.1	L383 S384 T385 A386 L466 I492 I536 F540	L383-L464 HydrophobicContact CD2-CB 3.8Å; L383-L464 HydrophobicContact CD2-CD2 3.76Å; L383-L464 HydrophobicContact CD2-CG 4.42Å; L383-L464 HydrophobicContact CG-CB 4.33Å; S384-L464 PolarHBondContact O-N 3.15Å; S384-L464 VanDerWaalsContact O-N 3.08Å; T385-L464 VanDerWaalsContact CA-O 3.3Å; T385-L464 WeakPolarHBondContact CA-O 3.48Å; T385-L464 HydrophobicContact CG2-CB 4.37Å; T385-L464 HydrophobicContact CG2-CD2 4.03Å; T385-L464 HydrophobicContact CG2-CG 4.22Å; A386-L464 PolarHBondContact N-O 3.31Å; L464-L466 HydrophobicContact CD2-CD2 4.23Å; L464-L466 HydrophobicContact CG-CD2 4.42Å; L464-I492 HydrophobicContact CD1-CD1 4.19Å; L464-I492 HydrophobicContact CD1-CG1 4.19Å; L464-I536 HydrophobicContact CD2-CG1 4.43Å; L464-F540 HydrophobicContact CB-CZ 4.34Å; L464-F540 HydrophobicContact CD2-CE2 3.93Å; L464-F540 HydrophobicContact CD2-CZ 3.9Å; L464-F540 HydrophobicContact CG-CZ 4.48Å
465	I	88.3	Confident	81.2	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.4	177.2	-62.9	151.1	0	0	0	110.2	I388 L459 A462 L467 T486 L489 K490 R491 I492	I388-I465 HydrophobicContact CB-CG2 4.5Å; I388-I465 HydrophobicContact CD1-CG2 3.99Å; I388-I465 HydrophobicContact CG1-CG2 4.41Å; L459-I465 HydrophobicContact CD2-CD1 3.34Å; L459-I465 HydrophobicContact CD2-CG1 3.81Å; L459-I465 HydrophobicContact CD2-CG2 4.33Å; A462-I465 HydrophobicContact CB-CG1 4.25Å; I465-L467 HydrophobicContact CG2-CB 4.49Å; I465-T486 HydrophobicContact CD1-CG2 4.28Å; I465-T486 HydrophobicContact CG2-CG2 4.03Å; I465-L489 HydrophobicContact CD1-CB 3.6Å; I465-L489 HydrophobicContact CD1-CD1 3.53Å; I465-L489 HydrophobicContact CD1-CG 4.21Å; I465-K490 PolarHBondContact N-O 3.02Å; I465-R491 HydrophobicContact CB-CB 3.99Å; I465-R491 HydrophobicContact CG2-CB 4.32Å; I465-R491 CarbonylContact O-C 3.44Å; I465-R491 WeakPolarHBondContact O-CA 3.42Å; I465-I492 PolarHBondContact O-N 3.43Å
466	L	88.8	Confident	82.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	98.9	168.2	-58.7	-174.7	0	0	0	108.4	T385 A386 I387 I388 L402 L464 I492 L494 L532 I536	T385-L466 HydrophobicContact CG2-CD1 4.18Å; T385-L466 HydrophobicContact CG2-CG 4.03Å; A386-L466 PolarHBondContact O-N 3.47Å; I387-L466 HydrophobicContact CG1-CB 4.36Å; I387-L466 HydrophobicContact CG1-CD1 4.23Å; I388-L466 PolarHBondContact N-O 3.13Å; L402-L466 HydrophobicContact CD1-CD1 4.47Å; L464-L466 HydrophobicContact CD2-CD2 4.23Å; L464-L466 HydrophobicContact CG-CD2 4.42Å; L466-I492 HydrophobicContact CD2-CB 3.91Å; L466-I492 HydrophobicContact CD2-CD1 4.15Å; L466-I492 HydrophobicContact CD2-CG1 4.44Å; L466-L494 HydrophobicContact CB-CD1 4.3Å; L466-L532 HydrophobicContact CD2-CD1 4.29Å; L466-I536 HydrophobicContact CD1-CD1 4.5Å; L466-I536 HydrophobicContact CD2-CD1 4.43Å
467	L	89.4	Confident	83.2	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	108.2	-179.4	178.1	61.6	0	0	0	110.1	I388 I465 L469 L482 L483 I492 V493 L494	I388-L467 HydrophobicContact CG2-CD1 4.41Å; I388-L467 CarbonylContact O-C 3.28Å; I388-L467 WeakPolarHBondContact O-CA 3.4Å; I465-L467 HydrophobicContact CG2-CB 4.49Å; L467-L469 HydrophobicContact CD1-CD2 4.45Å; L467-L469 HydrophobicContact CG-CD2 4.34Å; L467-L469 HydrophobicContact CG-CG 4.49Å; L467-L482 HydrophobicContact CD1-CB 4.04Å; L467-L482 HydrophobicContact CD1-CD1 4.39Å; L467-L483 HydrophobicContact CD2-CD2 3.57Å; L467-L483 HydrophobicContact CD2-CG 4.05Å; L467-I492 PolarHBondContact N-O 3.4Å; L467-V493 HydrophobicContact CD2-CG2 4.38Å; L467-V493 CarbonylContact O-C 3.55Å; L467-V493 WeakPolarHBondContact O-CA 3.43Å; L467-L494 PolarHBondContact O-N 2.95Å
468	V	90.2	Very high	83.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	120.7	-178.4	-168.6	0	0	0	0	110.5	I387 I388 V393 K395 L398 L494 N496	I387-V468 HydrophobicContact CG2-CG2 3.95Å; I388-V468 PolarHBondContact O-N 2.87Å; V393-V468 HydrophobicContact CB-CG1 4.1Å; V393-V468 HydrophobicContact CG2-CB 3.81Å; V393-V468 HydrophobicContact CG2-CG1 3.74Å; V393-V468 WeakPolarHBondContact CG2-O 3.37Å; K395-V468 HydrophobicContact CG-CB 4.42Å; K395-V468 HydrophobicContact CG-CG2 4.45Å; L398-V468 HydrophobicContact CD2-CG2 3.81Å; V468-L494 WeakPolarHBondContact CA-O 3.34Å; V468-L494 HydrophobicContact CG2-CB 4.45Å; V468-L494 HydrophobicContact CG2-CD1 4.21Å; V468-N496 HydrophobicContact CG1-CB 3.72Å
469	L	91.2	Very high	84.8	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	143.2	175.3	-58.8	179.1	0	0	0	109.9	L467 Q471 L475 D479 L483 V493 L494 L495 N496 L509	L467-L469 HydrophobicContact CD1-CD2 4.45Å; L467-L469 HydrophobicContact CG-CD2 4.34Å; L467-L469 HydrophobicContact CG-CG 4.49Å; L469-Q471 PolarHBondContact O-N 3.32Å; L469-L475 HydrophobicContact CD1-CD2 4.25Å; L469-D479 HydrophobicContact CD2-CB 4Å; L469-L483 HydrophobicContact CD1-CD1 4.4Å; L469-L483 HydrophobicContact CD1-CD2 4.44Å; L469-V493 HydrophobicContact CD1-CG1 3.9Å; L469-V493 HydrophobicContact CG-CG1 4.4Å; L469-L494 PolarHBondContact N-O 3.41Å; L469-L495 HydrophobicContact CB-CD2 4.16Å; L469-L495 HydrophobicContact CD1-CD2 4.14Å; L469-N496 PolarHBondContact O-N 3.16Å; L469-L509 HydrophobicContact CD1-CD2 4.07Å
470	N	91.6	Very high	85.4	Confident	7 Å²	7	37.6 Å²	37.6	4%	0.037	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	109.5	171.8	-175.8	3.7	0	0	0	109.9	V393 S472 E473 K497	V393-N470 HydrophobicContact CB-CB 4.38Å; V393-N470 HydrophobicContact CG1-CB 4.06Å; N470-S472 PolarHBondContact ND2-OG 2.99Å; N470-S472 PolarHBondContact O-N 3.45Å; N470-S472 PolarHBondContact OD1-N 3.46Å; N470-S472 VanDerWaalsContact OD1-N 3.08Å; N470-S472 PolarHBondContact OD1-OG 2.89Å; N470-E473 PolarHBondContact ND2-OE1 2.99Å; N470-E473 PolarHBondContact O-N 3.17Å; N470-K497 PolarHBondContact ND2-NZ 2.9Å; N470-K497 VanDerWaalsContact ND2-NZ 3.12Å; N470-K497 WeakPolarHBondContact OD1-CD 3.29Å
471	Q	91.5	Very high	85.9	Confident	13 Å²	13	38.6 Å²	38.6	6%	0.061	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-17.8	-177.5	77.9	82.4	34.5	0	0	114.5	L469 E473 L495 N496 K497 T498 L500 S502 H503 L504	L469-Q471 PolarHBondContact O-N 3.32Å; Q471-E473 PolarHBondContact O-N 3.03Å; Q471-L495 HydrophobicContact CB-CB 4.08Å; Q471-N496 WeakPolarHBondContact CG-O 3.39Å; Q471-N496 PolarHBondContact N-O 3.06Å; Q471-K497 PolarHBondContact NE2-O 3.18Å; Q471-T498 HydrophobicContact CG-CG2 4.12Å; Q471-L500 PolarHBondContact NE2-O 3.32Å; Q471-S502 PolarHBondContact OE1-OG 3.49Å; Q471-H503 PolarHBondContact O-N 3.14Å; Q471-L504 VanDerWaalsContact CA-CD1 3.47Å; Q471-L504 HydrophobicContact CB-CD1 3.9Å
472	S	88.5	Confident	86.4	Confident	19 Å²	19	33.8 Å²	33.8	13%	0.133	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-0.5	179.2	83.8	0	0	0	0	113.3	N470 P501 H503	N470-S472 PolarHBondContact ND2-OG 2.99Å; N470-S472 PolarHBondContact O-N 3.45Å; N470-S472 PolarHBondContact OD1-N 3.46Å; N470-S472 VanDerWaalsContact OD1-N 3.08Å; N470-S472 PolarHBondContact OD1-OG 2.89Å; S472-P501 WeakPolarHBondContact CA-O 3.46Å; S472-H503 PolarHBondContact O-CD2 3.35Å
473	E	88.1	Confident	86.7	Confident	74 Å²	74	32.9 Å²	32.9	35%	0.346	18%	0.181	S	C	.	.	S	Bend	trans	-125.9	155.6	-179.6	-73.4	170.3	-144.4	0	0	109.6	R390 N470 Q471 L504	R390-E473 IonicContact NE-OE2 3.04Å; R390-E473 IonicContact NH2-OE2 2.81Å; R390-E473 PolarHBondContact NH2-OE2 3Å; N470-E473 PolarHBondContact ND2-OE1 2.99Å; N470-E473 PolarHBondContact O-N 3.17Å; Q471-E473 PolarHBondContact O-N 3.03Å; E473-L504 WeakPolarHBondContact O-CD2 3Å; E473-L504 WeakPolarHBondContact O-CG 3.5Å
474	A	85.4	Confident	86.6	Confident	66 Å²	66	33.8 Å²	33.8	55%	0.545	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-70.8	148.2	169.8	0	0	0	0	0	110.3	T476	A474-T476 PolarHBondContact O-N 2.93Å; A474-T476 VanDerWaalsContact O-N 3.11Å
475	L	86.4	Confident	86.2	Confident	12 Å²	12	35.8 Å²	35.8	6%	0.063	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-53.3	117.5	177.6	-83.6	167.6	0	0	0	111.1	L469 D479 L483 L504 D508 L509	L469-L475 HydrophobicContact CD1-CD2 4.25Å; L475-D479 HydrophobicContact CD2-CB 3.53Å; L475-L483 HydrophobicContact CD1-CD1 4.45Å; L475-L483 HydrophobicContact CD2-CD1 3.9Å; L475-L504 HydrophobicContact CB-CD2 4.35Å; L475-L504 HydrophobicContact CD1-CD2 4.4Å; L475-L504 HydrophobicContact CD2-CD2 4.24Å; L475-L504 HydrophobicContact CG-CD2 3.6Å; L475-D508 HydrophobicContact CD1-CB 3.86Å; L475-L509 HydrophobicContact CD1-CD2 3.91Å; L475-L509 HydrophobicContact CD1-CG 4.32Å; L475-L509 HydrophobicContact CD2-CD2 4.33Å; L475-L509 HydrophobicContact CG-CD2 4.44Å
476	T	85.4	Confident	85.9	Confident	38 Å²	38	35.7 Å²	35.7	23%	0.233	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-78.1	170	176.1	67.6	0	0	0	0	111.2	A474 E478 D479 R480	A474-T476 PolarHBondContact O-N 2.93Å; A474-T476 VanDerWaalsContact O-N 3.11Å; T476-E478 VanDerWaalsContact C-N 3.28Å; T476-E478 PolarHBondContact O-N 3Å; T476-D479 WeakPolarHBondContact CB-OD2 3.33Å; T476-D479 PolarHBondContact N-OD2 3.08Å; T476-D479 PolarHBondContact O-N 3.43Å; T476-D479 PolarHBondContact OG1-N 3.47Å; T476-D479 PolarHBondContact OG1-OD2 2.61Å; T476-R480 WeakPolarHBondContact O-CG 3.14Å; T476-R480 PolarHBondContact O-N 3.11Å
477	A	81.5	Confident	85.6	Confident	70 Å²	70	41.4 Å²	41.4	58%	0.579	23%	0.225	S	C	*	.	H	α-helix	trans	-60.8	-39.2	172.9	0	0	0	0	0	111.7	R480 E481	A477-R480 PolarHBondContact O-N 2.64Å; A477-E481 PolarHBondContact O-N 3.35Å
478	E	80.7	Confident	85	Confident	85 Å²	85	45.4 Å²	45.4	40%	0.397	27%	0.266	S	S	.	.	H	α-helix	trans	-63.5	-40.8	176.8	-68.5	175.7	-177.2	0	0	112.1	R390 T476 R480 E481 L482	R390-E478 IonicContact NH1-OE2 3.95Å; R390-E478 PolarHBondContact NH1-OE2 3.48Å; T476-E478 VanDerWaalsContact C-N 3.28Å; T476-E478 PolarHBondContact O-N 3Å; E478-R480 VanDerWaalsContact C-N 3.31Å; E478-R480 PolarHBondContact O-N 3.3Å; E478-E481 PolarHBondContact O-N 3.1Å; E478-L482 WeakPolarHBondContact O-CG 3.25Å; E478-L482 PolarHBondContact O-N 3.14Å
479	D	86.2	Confident	84.7	Confident	7 Å²	7	49 Å²	49	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-40.2	177.3	-62.5	-49.5	0	0	0	111.5	R390 L469 L475 T476 L482 L483	R390-D479 VanDerWaalsContact CD-CG 3.41Å; R390-D479 WeakPolarHBondContact CD-OD1 3.12Å; R390-D479 VanDerWaalsContact CD-OD2 3.23Å; R390-D479 WeakPolarHBondContact CD-OD2 3.29Å; R390-D479 WeakPolarHBondContact CG-OD1 2.88Å; R390-D479 IonicContact NE-OD2 3.34Å; L469-D479 HydrophobicContact CD2-CB 4Å; L475-D479 HydrophobicContact CD2-CB 3.53Å; T476-D479 WeakPolarHBondContact CB-OD2 3.33Å; T476-D479 PolarHBondContact N-OD2 3.08Å; T476-D479 PolarHBondContact O-N 3.43Å; T476-D479 PolarHBondContact OG1-N 3.47Å; T476-D479 PolarHBondContact OG1-OD2 2.61Å; D479-L482 PolarHBondContact O-N 3.36Å; D479-L483 WeakPolarHBondContact O-CB 3.48Å; D479-L483 VanDerWaalsContact O-CG 3.28Å; D479-L483 WeakPolarHBondContact O-CG 3.34Å; D479-L483 PolarHBondContact O-N 3.34Å
480	R	85.4	Confident	84.4	Confident	106 Å²	106	55.1 Å²	55.1	40%	0.4	31%	0.312	S	S	.	.	H	α-helix	trans	-65.9	-43.4	176.4	-65.6	173.3	-169.8	-178.8	1.1	111.3	T476 A477 E478 L482 L483 E484 Y512	T476-R480 WeakPolarHBondContact O-CG 3.14Å; T476-R480 PolarHBondContact O-N 3.11Å; A477-R480 PolarHBondContact O-N 2.64Å; E478-R480 VanDerWaalsContact C-N 3.31Å; E478-R480 PolarHBondContact O-N 3.3Å; R480-L482 VanDerWaalsContact C-N 3.31Å; R480-L482 PolarHBondContact O-N 3.15Å; R480-L483 PolarHBondContact O-N 2.93Å; R480-E484 WeakPolarHBondContact O-CG 3.28Å; R480-E484 PolarHBondContact O-N 3.19Å; R480-Y512 HydrophobicContact CG-CE2 4.3Å
481	E	81.9	Confident	84.2	Confident	92 Å²	92	55.4 Å²	55.4	43%	0.43	31%	0.312	S	S	.	.	H	α-helix	trans	-60.3	-40.3	174.6	-76.3	-177.3	-171.2	0	0	112.1	A477 E478 E484 A485	A477-E481 PolarHBondContact O-N 3.35Å; E478-E481 PolarHBondContact O-N 3.1Å; E481-E484 PolarHBondContact O-N 3.06Å; E481-A485 WeakPolarHBondContact O-CB 3.43Å; E481-A485 PolarHBondContact O-N 3.21Å
482	L	81.5	Confident	84.1	Confident	7 Å²	7	54.8 Å²	54.8	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-69.2	-39.3	176	-70.4	175.1	0	0	0	112.1	I388 L467 E478 D479 R480 A485 T486	I388-L482 HydrophobicContact CG2-CD1 4.16Å; I388-L482 HydrophobicContact CG2-CD2 3.69Å; I388-L482 HydrophobicContact CG2-CG 4.47Å; L467-L482 HydrophobicContact CD1-CB 4.04Å; L467-L482 HydrophobicContact CD1-CD1 4.39Å; E478-L482 WeakPolarHBondContact O-CG 3.25Å; E478-L482 PolarHBondContact O-N 3.14Å; D479-L482 PolarHBondContact O-N 3.36Å; R480-L482 VanDerWaalsContact C-N 3.31Å; R480-L482 PolarHBondContact O-N 3.15Å; L482-A485 PolarHBondContact O-N 3.38Å; L482-T486 WeakPolarHBondContact O-CB 3.45Å; L482-T486 VanDerWaalsContact O-CG2 3.3Å; L482-T486 WeakPolarHBondContact O-CG2 2.85Å; L482-T486 PolarHBondContact O-N 2.76Å; L482-T486 PolarHBondContact O-OG1 3.12Å
483	L	85.8	Confident	84.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.8	-40.3	174.2	-78.6	165.5	0	0	0	111.8	L467 L469 L475 D479 R480 T486 Q487 R491 Y512 L513	L467-L483 HydrophobicContact CD2-CD2 3.57Å; L467-L483 HydrophobicContact CD2-CG 4.05Å; L469-L483 HydrophobicContact CD1-CD1 4.4Å; L469-L483 HydrophobicContact CD1-CD2 4.44Å; L475-L483 HydrophobicContact CD1-CD1 4.45Å; L475-L483 HydrophobicContact CD2-CD1 3.9Å; D479-L483 WeakPolarHBondContact O-CB 3.48Å; D479-L483 VanDerWaalsContact O-CG 3.28Å; D479-L483 WeakPolarHBondContact O-CG 3.34Å; D479-L483 PolarHBondContact O-N 3.34Å; R480-L483 PolarHBondContact O-N 2.93Å; L483-T486 PolarHBondContact O-OG1 3.46Å; L483-Q487 PolarHBondContact O-N 3.23Å; L483-R491 PolarHBondContact O-NH1 2.88Å; L483-Y512 HydrophobicContact CB-CD1 4Å; L483-Y512 HydrophobicContact CB-CG 4.03Å; L483-Y512 HydrophobicContact CD1-CD2 4.04Å; L483-Y512 HydrophobicContact CD1-CG 4.07Å; L483-L513 HydrophobicContact CD2-CD2 3.88Å
484	E	83.4	Confident	84.4	Confident	110 Å²	110	50.4 Å²	50.4	51%	0.514	29%	0.287	S	S	.	.	H	α-helix	trans	-70.8	-44.2	174.8	-72.2	176.5	-177.4	0	0	111.4	R480 E481 T486 Q487 Y512	R480-E484 WeakPolarHBondContact O-CG 3.28Å; R480-E484 PolarHBondContact O-N 3.19Å; E481-E484 PolarHBondContact O-N 3.06Å; E484-T486 PolarHBondContact O-N 2.77Å; E484-Q487 VanDerWaalsContact O-CB 3.26Å; E484-Q487 WeakPolarHBondContact O-CB 3.2Å; E484-Q487 PolarHBondContact O-N 3.1Å; E484-Q487 VanDerWaalsContact O-N 3.14Å; E484-Y512 HydrophobicContact CG-CD1 4.13Å; E484-Y512 HydrophobicContact CG-CE1 3.82Å
485	A	79.7	Confident	84.7	Confident	42 Å²	42	48.2 Å²	48.2	35%	0.347	27%	0.266	S	S	.	.	H	α-helix	trans	-66.8	-25	-178.5	0	0	0	0	0	113.5	L459 E481 L482	L459-A485 HydrophobicContact CD1-CB 4.07Å; E481-A485 WeakPolarHBondContact O-CB 3.43Å; E481-A485 PolarHBondContact O-N 3.21Å; L482-A485 PolarHBondContact O-N 3.38Å
486	T	82	Confident	85	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-1.6	177.2	53.9	0	0	0	0	113.1	L459 I465 L482 L483 E484 G488 L489 R491	L459-T486 HydrophobicContact CD1-CG2 4.19Å; L459-T486 HydrophobicContact CD2-CG2 3.49Å; L459-T486 VanDerWaalsContact CD2-CG2 3.49Å; I465-T486 HydrophobicContact CD1-CG2 4.28Å; I465-T486 HydrophobicContact CG2-CG2 4.03Å; L482-T486 WeakPolarHBondContact O-CB 3.45Å; L482-T486 VanDerWaalsContact O-CG2 3.3Å; L482-T486 WeakPolarHBondContact O-CG2 2.85Å; L482-T486 PolarHBondContact O-N 2.76Å; L482-T486 PolarHBondContact O-OG1 3.12Å; L483-T486 PolarHBondContact O-OG1 3.46Å; E484-T486 PolarHBondContact O-N 2.77Å; T486-G488 PolarHBondContact O-N 3.36Å; T486-L489 PolarHBondContact O-N 2.84Å; T486-L489 VanDerWaalsContact O-N 3.16Å; T486-R491 WeakPolarHBondContact OG1-CD 3.13Å; T486-R491 PolarHBondContact OG1-NH1 2.77Å
487	Q	81.3	Confident	85.3	Confident	120 Å²	120	48.5 Å²	48.5	56%	0.561	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	127.9	-179.5	-165.2	173.5	3	0	0	110.6	L483 E484 L489	L483-Q487 PolarHBondContact O-N 3.23Å; E484-Q487 VanDerWaalsContact O-CB 3.26Å; E484-Q487 WeakPolarHBondContact O-CB 3.2Å; E484-Q487 PolarHBondContact O-N 3.1Å; E484-Q487 VanDerWaalsContact O-N 3.14Å; Q487-L489 VanDerWaalsContact C-N 3.34Å
488	G	78.2	Confident	85.6	Confident	84 Å²	84	47.8 Å²	47.8	87%	0.866	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	-5.7	-175.9	0	0	0	0	0	115	T486	T486-G488 PolarHBondContact O-N 3.36Å
489	L	82.6	Confident	86	Confident	77 Å²	77	46.8 Å²	46.8	40%	0.403	25%	0.249	S	C	.	.	S	Bend	trans	-93.1	159	170.7	-56.3	178.6	0	0	0	110.5	L459 I465 T486 Q487 R491	L459-L489 HydrophobicContact CB-CD1 4.35Å; L459-L489 HydrophobicContact CD2-CD1 4.06Å; I465-L489 HydrophobicContact CD1-CB 3.6Å; I465-L489 HydrophobicContact CD1-CD1 3.53Å; I465-L489 HydrophobicContact CD1-CG 4.21Å; T486-L489 PolarHBondContact O-N 2.84Å; T486-L489 VanDerWaalsContact O-N 3.16Å; Q487-L489 VanDerWaalsContact C-N 3.34Å; L489-R491 PolarHBondContact O-N 2.98Å; L489-R491 VanDerWaalsContact O-N 3.1Å
490	K	84.3	Confident	86.2	Confident	129 Å²	129	50.2 Å²	50.2	56%	0.561	27%	0.267	S	S	*	.			trans	-71.6	104.3	173.5	-73	-173	177.4	-171	0	110.1	I465	I465-K490 PolarHBondContact N-O 3.02Å
491	R	88.4	Confident	86.2	Confident	13 Å²	13	49.8 Å²	49.8	5%	0.049	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.4	-178.8	70.5	-177.9	-177.8	-175.3	-3.3	113.1	I465 L483 T486 L489 V493 Y512 D516	I465-R491 HydrophobicContact CB-CB 3.99Å; I465-R491 HydrophobicContact CG2-CB 4.32Å; I465-R491 CarbonylContact O-C 3.44Å; I465-R491 WeakPolarHBondContact O-CA 3.42Å; L483-R491 PolarHBondContact O-NH1 2.88Å; T486-R491 WeakPolarHBondContact OG1-CD 3.13Å; T486-R491 PolarHBondContact OG1-NH1 2.77Å; L489-R491 PolarHBondContact O-N 2.98Å; L489-R491 VanDerWaalsContact O-N 3.1Å; R491-V493 HydrophobicContact CG-CG2 4.34Å; R491-Y512 PolarHBondContact NH2-O 2.78Å; R491-D516 WeakPolarHBondContact CG-OD1 3.24Å; R491-D516 IonicContact CZ-OD1 2.73Å; R491-D516 IonicContact CZ-OD2 2.87Å; R491-D516 VanDerWaalsContact NE-CG 3.29Å; R491-D516 IonicContact NE-OD1 3.11Å; R491-D516 PolarHBondContact NE-OD1 3.37Å; R491-D516 IonicContact NE-OD2 3.31Å; R491-D516 PolarHBondContact NE-OD2 2.95Å; R491-D516 IonicContact NH2-OD1 3.09Å; R491-D516 PolarHBondContact NH2-OD1 3.32Å; R491-D516 IonicContact NH2-OD2 2.68Å; R491-D516 PolarHBondContact NH2-OD2 3.07Å
492	I	89.6	Confident	86.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.8	165.7	-61.9	173.6	0	0	0	106.8	L464 I465 L466 L467 L494 F519 L532 I536 L539	L464-I492 HydrophobicContact CD1-CD1 4.19Å; L464-I492 HydrophobicContact CD1-CG1 4.19Å; I465-I492 PolarHBondContact O-N 3.43Å; L466-I492 HydrophobicContact CD2-CB 3.91Å; L466-I492 HydrophobicContact CD2-CD1 4.15Å; L466-I492 HydrophobicContact CD2-CG1 4.44Å; L467-I492 PolarHBondContact N-O 3.4Å; I492-L494 HydrophobicContact CG2-CD2 3.87Å; I492-F519 HydrophobicContact CG2-CD2 3.52Å; I492-F519 HydrophobicContact CG2-CE2 3.78Å; I492-L532 HydrophobicContact CD1-CD1 4.43Å; I492-L532 HydrophobicContact CG2-CD1 3.99Å; I492-I536 HydrophobicContact CD1-CG1 3.88Å; I492-L539 HydrophobicContact CD1-CD1 4.37Å; I492-L539 HydrophobicContact CG1-CD1 4.39Å
493	V	90.6	Very high	86.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.9	-177.4	-176.8	0	0	0	0	109.4	L467 L469 R491 L513 D516 E517 V518 F519	L467-V493 HydrophobicContact CD2-CG2 4.38Å; L467-V493 CarbonylContact O-C 3.55Å; L467-V493 WeakPolarHBondContact O-CA 3.43Å; L469-V493 HydrophobicContact CD1-CG1 3.9Å; L469-V493 HydrophobicContact CG-CG1 4.4Å; R491-V493 HydrophobicContact CG-CG2 4.34Å; V493-L513 HydrophobicContact CG2-CD2 3.84Å; V493-D516 HydrophobicContact CG2-CB 4.24Å; V493-E517 PolarHBondContact N-O 3.33Å; V493-V518 HydrophobicContact CB-CG1 4.49Å; V493-V518 HydrophobicContact CB-CG2 4.29Å; V493-V518 HydrophobicContact CG1-CG1 4.49Å; V493-V518 CarbonylContact O-C 3.59Å; V493-V518 VanDerWaalsContact O-CA 3.31Å; V493-V518 WeakPolarHBondContact O-CA 3.29Å; V493-F519 PolarHBondContact O-N 3.24Å
494	L	92.3	Very high	86.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	110.5	-176.1	-56.8	178.9	0	0	0	109.8	L398 L466 L467 V468 L469 I492 N496 F519 I521 L532	L398-L494 HydrophobicContact CD2-CD1 3.52Å; L466-L494 HydrophobicContact CB-CD1 4.3Å; L467-L494 PolarHBondContact O-N 2.95Å; V468-L494 WeakPolarHBondContact CA-O 3.34Å; V468-L494 HydrophobicContact CG2-CB 4.45Å; V468-L494 HydrophobicContact CG2-CD1 4.21Å; L469-L494 PolarHBondContact N-O 3.41Å; I492-L494 HydrophobicContact CG2-CD2 3.87Å; L494-N496 PolarHBondContact O-N 3.04Å; L494-F519 CarbonylContact C-O 3.5Å; L494-F519 WeakPolarHBondContact CA-O 3.48Å; L494-F519 HydrophobicContact CD2-CB 3.98Å; L494-F519 HydrophobicContact CD2-CD2 4.44Å; L494-I521 HydrophobicContact CB-CD1 3.91Å; L494-I521 HydrophobicContact CB-CG1 4.34Å; L494-I521 HydrophobicContact CD1-CD1 4.03Å; L494-I521 HydrophobicContact CD2-CD1 4.39Å; L494-I521 HydrophobicContact CG-CD1 4.33Å; L494-L532 HydrophobicContact CD1-CD1 4.31Å; L494-L532 HydrophobicContact CD1-CD2 3.66Å; L494-L532 HydrophobicContact CD2-CD1 3.69Å; L494-L532 HydrophobicContact CD2-CD2 3.97Å; L494-L532 HydrophobicContact CD2-CG 4.28Å; L494-L532 HydrophobicContact CG-CD2 4.5Å
495	L	91.5	Very high	86	Confident	21 Å²	21	52.3 Å²	52.3	11%	0.11	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	91.5	170.5	-58.3	-176.1	0	0	0	108.4	L469 Q471 L504 L509 V518 F519 I521	L469-L495 HydrophobicContact CB-CD2 4.16Å; L469-L495 HydrophobicContact CD1-CD2 4.14Å; Q471-L495 HydrophobicContact CB-CB 4.08Å; L495-L504 HydrophobicContact CD2-CD1 3.88Å; L495-L509 HydrophobicContact CD1-CD1 4.28Å; L495-L509 HydrophobicContact CD2-CD1 4.26Å; L495-V518 HydrophobicContact CD1-CG1 3.87Å; L495-V518 HydrophobicContact CD2-CG1 4.49Å; L495-V518 HydrophobicContact CG-CG1 3.83Å; L495-F519 PolarHBondContact N-O 2.87Å; L495-I521 PolarHBondContact O-N 3.02Å; L495-I521 VanDerWaalsContact O-O 3.13Å
496	N	92.8	Very high	85.5	Confident	6 Å²	6	58.7 Å²	58.7	3%	0.032	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	163	-177.7	-168.5	28.5	0	0	0	112.6	V393 V468 L469 Q471 L494 I521 V523	V393-N496 PolarHBondContact O-ND2 2.94Å; V468-N496 HydrophobicContact CG1-CB 3.72Å; L469-N496 PolarHBondContact O-N 3.16Å; Q471-N496 WeakPolarHBondContact CG-O 3.39Å; Q471-N496 PolarHBondContact N-O 3.06Å; L494-N496 PolarHBondContact O-N 3.04Å; N496-I521 CarbonylContact C-O 3.59Å; N496-I521 VanDerWaalsContact CA-O 3.29Å; N496-I521 WeakPolarHBondContact CA-O 3.48Å; N496-I521 HydrophobicContact CB-CD1 4.45Å; N496-I521 HydrophobicContact CB-CG1 4.08Å; N496-I521 PolarHBondContact OD1-O 3.31Å; N496-V523 WeakPolarHBondContact OD1-CG2 3.29Å; N496-V523 PolarHBondContact OD1-N 2.9Å
497	K	91.7	Very high	85.1	Confident	50 Å²	50	63.7 Å²	63.7	22%	0.217	36%	0.356	C	S	.	.			trans	69.9	39.5	-177.5	-48.9	-166.5	-166.1	165.3	0	114.4	N392 N470 Q471 D499 L500 I521	N392-K497 VanDerWaalsContact O-CE 3.23Å; N392-K497 WeakPolarHBondContact O-CE 3.26Å; N392-K497 PolarHBondContact O-NZ 3.02Å; N470-K497 PolarHBondContact ND2-NZ 2.9Å; N470-K497 VanDerWaalsContact ND2-NZ 3.12Å; N470-K497 WeakPolarHBondContact OD1-CD 3.29Å; Q471-K497 PolarHBondContact NE2-O 3.18Å; K497-D499 VanDerWaalsContact C-OD1 3.28Å; K497-D499 VanDerWaalsContact CA-OD1 3.24Å; K497-D499 WeakPolarHBondContact CA-OD1 3.43Å; K497-D499 PolarHBondContact O-N 3.05Å; K497-D499 VanDerWaalsContact O-N 3.16Å; K497-L500 HydrophobicContact CB-CD1 4.4Å; K497-L500 HydrophobicContact CD-CD1 4.3Å; K497-L500 PolarHBondContact O-N 3.02Å; K497-I521 PolarHBondContact N-O 3.37Å
498	T	88.5	Confident	84.7	Confident	54 Å²	54	61.3 Å²	61.3	33%	0.331	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-8.5	175.8	55.7	0	0	0	0	114	Q471 L500 I521 S522	Q471-T498 HydrophobicContact CG-CG2 4.12Å; T498-L500 PolarHBondContact O-N 3.13Å; T498-I521 WeakPolarHBondContact CG2-O 3.47Å; T498-I521 PolarHBondContact N-O 3.28Å; T498-I521 VanDerWaalsContact OG1-C 3.25Å; T498-I521 PolarHBondContact OG1-O 3.49Å; T498-S522 VanDerWaalsContact OG1-CB 3.3Å; T498-S522 WeakPolarHBondContact OG1-CB 3.44Å; T498-S522 PolarHBondContact OG1-N 3.36Å
499	D	88.1	Confident	84.6	Confident	64 Å²	64	58 Å²	58	34%	0.342	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.7	166.4	49.9	-73.1	0	0	0	113.4	K497 S522 E525	K497-D499 VanDerWaalsContact C-OD1 3.28Å; K497-D499 VanDerWaalsContact CA-OD1 3.24Å; K497-D499 WeakPolarHBondContact CA-OD1 3.43Å; K497-D499 PolarHBondContact O-N 3.05Å; K497-D499 VanDerWaalsContact O-N 3.16Å; D499-S522 PolarHBondContact OD1-OG 3.35Å; D499-E525 HydrophobicContact CB-CG 4.04Å
500	L	89.6	Confident	84.3	Confident	79 Å²	79	58 Å²	58	41%	0.414	32%	0.316	S	S	.	.	S	Bend	trans	-101	158	176.7	-62.8	176.3	0	0	0	112.1	Q471 K497 T498 S502	Q471-L500 PolarHBondContact NE2-O 3.32Å; K497-L500 HydrophobicContact CB-CD1 4.4Å; K497-L500 HydrophobicContact CD-CD1 4.3Å; K497-L500 PolarHBondContact O-N 3.02Å; T498-L500 PolarHBondContact O-N 3.13Å; L500-S502 PolarHBondContact O-N 3.16Å
501	P	86.3	Confident	83.9	Confident	97 Å²	97	55.4 Å²	55.4	63%	0.63	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-58.8	138.2	172.6	-22.2	33.3	0	0	0	112.1	S472 H503	S472-P501 WeakPolarHBondContact CA-O 3.46Å; P501-H503 PolarHBondContact O-CD2 3.13Å
502	S	86.7	Confident	83.4	Confident	74 Å²	74	56.8 Å²	56.8	52%	0.517	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-73.8	131.7	-179.5	-160.6	0	0	0	0	112.6	Q471 L500	Q471-S502 PolarHBondContact OE1-OG 3.49Å; L500-S502 PolarHBondContact O-N 3.16Å
503	H	85	Confident	82.8	Confident	127 Å²	127	58.1 Å²	58.1	59%	0.588	33%	0.331	S	S	*	.			trans	-117.7	7.1	172.1	-74.1	-83.5	0	0	0	112.6	Q471 S472 P501	Q471-H503 PolarHBondContact O-N 3.14Å; S472-H503 PolarHBondContact O-CD2 3.35Å; P501-H503 PolarHBondContact O-CD2 3.13Å
504	L	81.5	Confident	81.5	Confident	24 Å²	24	63.3 Å²	63.3	13%	0.126	37%	0.368	C	S	.	.			trans	-87.7	125.6	172.8	-75.6	178.3	0	0	0	110.7	Q471 E473 L475 L495 L509	Q471-L504 VanDerWaalsContact CA-CD1 3.47Å; Q471-L504 HydrophobicContact CB-CD1 3.9Å; E473-L504 WeakPolarHBondContact O-CD2 3Å; E473-L504 WeakPolarHBondContact O-CG 3.5Å; L475-L504 HydrophobicContact CB-CD2 4.35Å; L475-L504 HydrophobicContact CD1-CD2 4.4Å; L475-L504 HydrophobicContact CD2-CD2 4.24Å; L475-L504 HydrophobicContact CG-CD2 3.6Å; L495-L504 HydrophobicContact CD2-CD1 3.88Å; L504-L509 HydrophobicContact CB-CD1 4.4Å; L504-L509 HydrophobicContact CD1-CD1 4.23Å
505	S	74.6	Confident	80.3	Confident	38 Å²	38	72.1 Å²	72.1	27%	0.266	41%	0.409	S	S	.	.			trans	-83.1	137.6	168.8	93.3	0	0	0	0	110.2	T507 D508 L509	S505-T507 PolarHBondContact O-N 3.08Å; S505-T507 PolarHBondContact OG-OG1 3.32Å; S505-D508 WeakPolarHBondContact CB-OD2 3.46Å; S505-D508 PolarHBondContact O-N 2.82Å; S505-D508 VanDerWaalsContact O-N 3.08Å; S505-D508 PolarHBondContact OG-N 3.14Å; S505-D508 VanDerWaalsContact OG-N 3.09Å; S505-D508 PolarHBondContact OG-OD2 2.81Å; S505-L509 PolarHBondContact O-N 3.34Å
506	Q	70.7	Confident	79.1	Confident	175 Å²	175	73.1 Å²	73.1	82%	0.818	41%	0.414	S	S	*	.	H	α-helix	trans	-59.4	-32.5	176	-126.6	166.5	29.2	0	0	111.7	L509 S510	Q506-L509 PolarHBondContact O-N 3.15Å; Q506-S510 WeakPolarHBondContact O-CB 3.23Å; Q506-S510 PolarHBondContact O-N 3.49Å; Q506-S510 PolarHBondContact O-OG 2.98Å
507	T	72.2	Confident	78.2	Confident	106 Å²	106	76.1 Å²	76.1	65%	0.65	43%	0.428	S	S	*	.	H	α-helix	trans	-62.4	-36.3	174.6	20.5	0	0	0	0	113.6	S505 S510	S505-T507 PolarHBondContact O-N 3.08Å; S505-T507 PolarHBondContact OG-OG1 3.32Å; T507-S510 WeakPolarHBondContact CA-OG 3.37Å; T507-S510 PolarHBondContact O-OG 2.89Å
508	D	72.6	Confident	77.9	Confident	69 Å²	69	76.6 Å²	76.6	37%	0.369	44%	0.435	S	S	.	.	H	α-helix	trans	-73.7	-33.4	179.7	-62.3	-45.6	0	0	0	111.4	L475 S505 Y512	L475-D508 HydrophobicContact CD1-CB 3.86Å; S505-D508 WeakPolarHBondContact CB-OD2 3.46Å; S505-D508 PolarHBondContact O-N 2.82Å; S505-D508 VanDerWaalsContact O-N 3.08Å; S505-D508 PolarHBondContact OG-N 3.14Å; S505-D508 VanDerWaalsContact OG-N 3.09Å; S505-D508 PolarHBondContact OG-OD2 2.81Å; D508-Y512 WeakPolarHBondContact O-CD2 3.35Å; D508-Y512 WeakPolarHBondContact O-CE2 3.47Å
509	L	77.6	Confident	77.9	Confident	14 Å²	14	75.8 Å²	75.8	7%	0.073	43%	0.427	C	S	.	.	H	α-helix	trans	-77.3	-38	177.9	-71.6	168.9	0	0	0	112.4	L469 L475 L495 L504 S505 Q506 A511 Y512 L513	L469-L509 HydrophobicContact CD1-CD2 4.07Å; L475-L509 HydrophobicContact CD1-CD2 3.91Å; L475-L509 HydrophobicContact CD1-CG 4.32Å; L475-L509 HydrophobicContact CD2-CD2 4.33Å; L475-L509 HydrophobicContact CG-CD2 4.44Å; L495-L509 HydrophobicContact CD1-CD1 4.28Å; L495-L509 HydrophobicContact CD2-CD1 4.26Å; L504-L509 HydrophobicContact CB-CD1 4.4Å; L504-L509 HydrophobicContact CD1-CD1 4.23Å; S505-L509 PolarHBondContact O-N 3.34Å; Q506-L509 PolarHBondContact O-N 3.15Å; L509-A511 PolarHBondContact O-N 2.61Å; L509-Y512 PolarHBondContact O-N 2.96Å; L509-L513 HydrophobicContact CB-CD1 3.86Å; L509-L513 HydrophobicContact CD2-CD1 3.99Å; L509-L513 HydrophobicContact CG-CD1 4.38Å; L509-L513 WeakPolarHBondContact O-CG 3.29Å; L509-L513 PolarHBondContact O-N 2.89Å
510	S	76.3	Confident	78	Confident	77 Å²	77	76 Å²	76	54%	0.538	43%	0.434	S	S	.	.	H	α-helix	trans	-60.9	-19.2	-178.1	56.7	0	0	0	0	114.2	Q506 T507 Y512	Q506-S510 WeakPolarHBondContact O-CB 3.23Å; Q506-S510 PolarHBondContact O-N 3.49Å; Q506-S510 PolarHBondContact O-OG 2.98Å; T507-S510 WeakPolarHBondContact CA-OG 3.37Å; T507-S510 PolarHBondContact O-OG 2.89Å; S510-Y512 PolarHBondContact O-N 3.2Å
511	A	76	Confident	78.1	Confident	75 Å²	75	72.3 Å²	72.3	62%	0.62	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.9	174.2	0	0	0	0	0	113.2	L509	L509-A511 PolarHBondContact O-N 2.61Å
512	Y	78.1	Confident	78.3	Confident	43 Å²	43	67.7 Å²	67.7	17%	0.169	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-19.6	-175.9	-53.6	-86.3	0	0	0	113.3	R480 L483 E484 R491 D508 L509 S510	R480-Y512 HydrophobicContact CG-CE2 4.3Å; L483-Y512 HydrophobicContact CB-CD1 4Å; L483-Y512 HydrophobicContact CB-CG 4.03Å; L483-Y512 HydrophobicContact CD1-CD2 4.04Å; L483-Y512 HydrophobicContact CD1-CG 4.07Å; E484-Y512 HydrophobicContact CG-CD1 4.13Å; E484-Y512 HydrophobicContact CG-CE1 3.82Å; R491-Y512 PolarHBondContact NH2-O 2.78Å; D508-Y512 WeakPolarHBondContact O-CD2 3.35Å; D508-Y512 WeakPolarHBondContact O-CE2 3.47Å; L509-Y512 PolarHBondContact O-N 2.96Å; S510-Y512 PolarHBondContact O-N 3.2Å
513	L	76	Confident	78.2	Confident	28 Å²	28	65 Å²	65	15%	0.147	36%	0.364	C	S	.	.			trans	-113.6	93.8	-172.4	-53.1	179.4	0	0	0	110.5	L483 V493 L509 D516 V518	L483-L513 HydrophobicContact CD2-CD2 3.88Å; V493-L513 HydrophobicContact CG2-CD2 3.84Å; L509-L513 HydrophobicContact CB-CD1 3.86Å; L509-L513 HydrophobicContact CD2-CD1 3.99Å; L509-L513 HydrophobicContact CG-CD1 4.38Å; L509-L513 WeakPolarHBondContact O-CG 3.29Å; L509-L513 PolarHBondContact O-N 2.89Å; L513-D516 WeakPolarHBondContact CA-OD2 3.46Å; L513-D516 HydrophobicContact CD2-CB 4.05Å; L513-D516 WeakPolarHBondContact CD2-OD2 3.33Å; L513-V518 HydrophobicContact CD1-CG2 3.71Å
514	S	64	Low	78.3	Confident	109 Å²	109	65.1 Å²	65.1	76%	0.762	37%	0.369	S	S	*	.	S	Bend	trans	-107	-33.3	177	59.6	0	0	0	0	113.7
515	E	66.1	Low	78.5	Confident	185 Å²	185	70.5 Å²	70.5	86%	0.864	39%	0.393	S	S	*	.	S	Bend	trans	-132.3	5.9	-177.1	-63.8	-172	170.2	0	0	113
516	D	65.8	Low	78.9	Confident	41 Å²	41	74.3 Å²	74.3	22%	0.219	41%	0.405	C	S	.	.			trans	-80	143.3	-173.8	-59.1	-70.5	0	0	0	112.7	R491 V493 L513 V518	R491-D516 WeakPolarHBondContact CG-OD1 3.24Å; R491-D516 IonicContact CZ-OD1 2.73Å; R491-D516 IonicContact CZ-OD2 2.87Å; R491-D516 VanDerWaalsContact NE-CG 3.29Å; R491-D516 IonicContact NE-OD1 3.11Å; R491-D516 PolarHBondContact NE-OD1 3.37Å; R491-D516 IonicContact NE-OD2 3.31Å; R491-D516 PolarHBondContact NE-OD2 2.95Å; R491-D516 IonicContact NH2-OD1 3.09Å; R491-D516 PolarHBondContact NH2-OD1 3.32Å; R491-D516 IonicContact NH2-OD2 2.68Å; R491-D516 PolarHBondContact NH2-OD2 3.07Å; V493-D516 HydrophobicContact CG2-CB 4.24Å; L513-D516 WeakPolarHBondContact CA-OD2 3.46Å; L513-D516 HydrophobicContact CD2-CB 4.05Å; L513-D516 WeakPolarHBondContact CD2-OD2 3.33Å; D516-V518 PolarHBondContact O-N 3.34Å
517	E	75	Confident	79.7	Confident	70 Å²	70	68.1 Å²	68.1	33%	0.327	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	111.3	169.1	-62.2	-163.6	169.3	0	0	110	V493 F519	V493-E517 PolarHBondContact N-O 3.33Å; E517-F519 HydrophobicContact CB-CD2 4.48Å; E517-F519 HydrophobicContact CB-CE2 3.63Å; E517-F519 HydrophobicContact CB-CZ 4.19Å
518	V	86.2	Confident	80.3	Confident	59 Å²	59	64 Å²	64	36%	0.358	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.6	-177.9	-171.1	0	0	0	0	110.1	V493 L495 L513 D516	V493-V518 HydrophobicContact CB-CG1 4.49Å; V493-V518 HydrophobicContact CB-CG2 4.29Å; V493-V518 HydrophobicContact CG1-CG1 4.49Å; V493-V518 CarbonylContact O-C 3.59Å; V493-V518 VanDerWaalsContact O-CA 3.31Å; V493-V518 WeakPolarHBondContact O-CA 3.29Å; L495-V518 HydrophobicContact CD1-CG1 3.87Å; L495-V518 HydrophobicContact CD2-CG1 4.49Å; L495-V518 HydrophobicContact CG-CG1 3.83Å; L513-V518 HydrophobicContact CD1-CG2 3.71Å; D516-V518 PolarHBondContact O-N 3.34Å
519	F	87.8	Confident	80.9	Confident	38 Å²	38	60.8 Å²	60.8	17%	0.167	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.6	177.7	-61.7	-85.9	0	0	0	111.4	I492 V493 L494 L495 E517 I521 Q531 A535	I492-F519 HydrophobicContact CG2-CD2 3.52Å; I492-F519 HydrophobicContact CG2-CE2 3.78Å; V493-F519 PolarHBondContact O-N 3.24Å; L494-F519 CarbonylContact C-O 3.5Å; L494-F519 WeakPolarHBondContact CA-O 3.48Å; L494-F519 HydrophobicContact CD2-CB 3.98Å; L494-F519 HydrophobicContact CD2-CD2 4.44Å; L495-F519 PolarHBondContact N-O 2.87Å; E517-F519 HydrophobicContact CB-CD2 4.48Å; E517-F519 HydrophobicContact CB-CE2 3.63Å; E517-F519 HydrophobicContact CB-CZ 4.19Å; F519-I521 HydrophobicContact CB-CG2 4.29Å; F519-Q531 HydrophobicContact CD1-CB 4.07Å; F519-Q531 HydrophobicContact CE1-CB 4.33Å; F519-A535 HydrophobicContact CD2-CB 4.46Å; F519-A535 HydrophobicContact CE1-CB 4.06Å; F519-A535 HydrophobicContact CE2-CB 3.47Å; F519-A535 VanDerWaalsContact CE2-CB 3.47Å; F519-A535 HydrophobicContact CZ-CB 3.25Å
520	S	89.6	Confident	81.3	Confident	69 Å²	69	64.8 Å²	64.8	48%	0.483	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	115.2	172.9	-67.4	0	0	0	0	109.4
521	I	92.1	Very high	81.8	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	37%	0.365	C	S	.	.			trans	-125.4	151.1	-176.1	67.3	171.1	0	0	0	111.4	L398 L494 L495 N496 K497 T498 F519 V523 A527 L529	L398-I521 HydrophobicContact CD1-CD1 4.31Å; L494-I521 HydrophobicContact CB-CD1 3.91Å; L494-I521 HydrophobicContact CB-CG1 4.34Å; L494-I521 HydrophobicContact CD1-CD1 4.03Å; L494-I521 HydrophobicContact CD2-CD1 4.39Å; L494-I521 HydrophobicContact CG-CD1 4.33Å; L495-I521 PolarHBondContact O-N 3.02Å; L495-I521 VanDerWaalsContact O-O 3.13Å; N496-I521 CarbonylContact C-O 3.59Å; N496-I521 VanDerWaalsContact CA-O 3.29Å; N496-I521 WeakPolarHBondContact CA-O 3.48Å; N496-I521 HydrophobicContact CB-CD1 4.45Å; N496-I521 HydrophobicContact CB-CG1 4.08Å; N496-I521 PolarHBondContact OD1-O 3.31Å; K497-I521 PolarHBondContact N-O 3.37Å; T498-I521 WeakPolarHBondContact CG2-O 3.47Å; T498-I521 PolarHBondContact N-O 3.28Å; T498-I521 VanDerWaalsContact OG1-C 3.25Å; T498-I521 PolarHBondContact OG1-O 3.49Å; F519-I521 HydrophobicContact CB-CG2 4.29Å; I521-V523 HydrophobicContact CD1-CG2 4.02Å; I521-A527 CarbonylContact C-O 3.55Å; I521-A527 VanDerWaalsContact CA-O 3.29Å; I521-A527 WeakPolarHBondContact CA-O 3.36Å; I521-L529 HydrophobicContact CB-CD2 4.31Å; I521-L529 HydrophobicContact CD1-CD2 4.08Å; I521-L529 HydrophobicContact CG2-CD2 4.5Å
522	S	90.8	Very high	82.3	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.007	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-122.4	108.9	158.2	175.8	0	0	0	0	107.1	T498 D499 L524 E525 K526 A527	T498-S522 VanDerWaalsContact OG1-CB 3.3Å; T498-S522 WeakPolarHBondContact OG1-CB 3.44Å; T498-S522 PolarHBondContact OG1-N 3.36Å; D499-S522 PolarHBondContact OD1-OG 3.35Å; S522-L524 PolarHBondContact O-N 3.27Å; S522-L524 PolarHBondContact OG-N 3.47Å; S522-E525 PolarHBondContact OG-N 3.32Å; S522-E525 VanDerWaalsContact OG-N 3.13Å; S522-K526 CarbonylContact O-C 3.57Å; S522-K526 VanDerWaalsContact O-CA 3.29Å; S522-K526 WeakPolarHBondContact O-CA 3.3Å; S522-K526 PolarHBondContact O-N 3.42Å; S522-A527 PolarHBondContact N-O 3.17Å; S522-A527 PolarHBondContact O-N 2.89Å
523	V	84.9	Confident	82.7	Confident	16 Å²	16	62 Å²	62	10%	0.097	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-31.4	174	-178.6	0	0	0	0	110.9	S397 L398 N496 I521 L529	S397-V523 WeakPolarHBondContact O-CG1 3.41Å; L398-V523 HydrophobicContact CB-CG2 4.06Å; L398-V523 HydrophobicContact CD1-CG2 4.14Å; N496-V523 WeakPolarHBondContact OD1-CG2 3.29Å; N496-V523 PolarHBondContact OD1-N 2.9Å; I521-V523 HydrophobicContact CD1-CG2 4.02Å; V523-L529 HydrophobicContact CG2-CD2 4.31Å
524	L	86.1	Confident	83.2	Confident	131 Å²	131	67.1 Å²	67.1	69%	0.686	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-50.1	-179.8	-175.6	67.8	0	0	0	111.9	S522 K526	S522-L524 PolarHBondContact O-N 3.27Å; S522-L524 PolarHBondContact OG-N 3.47Å; L524-K526 VanDerWaalsContact C-N 3.27Å; L524-K526 PolarHBondContact O-N 2.92Å
525	E	86.7	Confident	84.2	Confident	136 Å²	136	62.2 Å²	62.2	64%	0.636	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	3.2	179.5	-64.1	-64.4	154.7	0	0	112.9	D499 S522 A527	D499-E525 HydrophobicContact CB-CG 4.04Å; S522-E525 PolarHBondContact OG-N 3.32Å; S522-E525 VanDerWaalsContact OG-N 3.13Å; E525-A527 PolarHBondContact O-N 3.29Å
526	K	81.7	Confident	85.1	Confident	119 Å²	119	53.4 Å²	53.4	52%	0.517	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	31.4	-172	-60.2	-174	170.6	-163.1	0	114	Y401 E405 S522 L524 L529	Y401-K526 HydrophobicContact CE2-CD 4.34Å; Y401-K526 HydrophobicContact CE2-CG 4.43Å; E405-K526 IonicContact OE1-NZ 3.41Å; E405-K526 PolarHBondContact OE1-NZ 2.96Å; S522-K526 CarbonylContact O-C 3.57Å; S522-K526 VanDerWaalsContact O-CA 3.29Å; S522-K526 WeakPolarHBondContact O-CA 3.3Å; S522-K526 PolarHBondContact O-N 3.42Å; L524-K526 VanDerWaalsContact C-N 3.27Å; L524-K526 PolarHBondContact O-N 2.92Å; K526-L529 HydrophobicContact CB-CD1 4.14Å; K526-L529 HydrophobicContact CG-CD1 4.4Å
527	A	87.9	Confident	85.9	Confident	45 Å²	45	52.2 Å²	52.2	37%	0.372	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-90	136	-179.8	0	0	0	0	0	111	I521 S522 E525 L529	I521-A527 CarbonylContact C-O 3.55Å; I521-A527 VanDerWaalsContact CA-O 3.29Å; I521-A527 WeakPolarHBondContact CA-O 3.36Å; S522-A527 PolarHBondContact N-O 3.17Å; S522-A527 PolarHBondContact O-N 2.89Å; E525-A527 PolarHBondContact O-N 3.29Å; A527-L529 VanDerWaalsContact C-N 3.25Å; A527-L529 PolarHBondContact O-N 3.13Å
528	G	84.6	Confident	86.2	Confident	19 Å²	19	55.4 Å²	55.4	20%	0.196	29%	0.29	C	S	.	.	S	Bend	trans	78.5	-2.6	176	0	0	0	0	0	115.5	Q531 L532	G528-Q531 WeakPolarHBondContact O-CB 3.23Å; G528-Q531 PolarHBondContact O-N 3.31Å; G528-L532 PolarHBondContact O-N 2.77Å
529	L	85.4	Confident	85.8	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-70.5	-39.1	-178	-62.6	172.2	0	0	0	112.5	L398 Y401 I521 V523 K526 A527 Q531 L532 E533	L398-L529 HydrophobicContact CD1-CD2 4Å; Y401-L529 HydrophobicContact CD1-CB 4.5Å; Y401-L529 HydrophobicContact CD1-CD1 3.77Å; Y401-L529 HydrophobicContact CD1-CD2 4.23Å; Y401-L529 HydrophobicContact CD1-CG 4.39Å; Y401-L529 HydrophobicContact CD2-CD1 3.56Å; Y401-L529 HydrophobicContact CE1-CB 3.69Å; Y401-L529 HydrophobicContact CE1-CD1 3.61Å; Y401-L529 HydrophobicContact CE1-CD2 4.23Å; Y401-L529 HydrophobicContact CE1-CG 4.03Å; Y401-L529 HydrophobicContact CE2-CB 4.49Å; Y401-L529 HydrophobicContact CE2-CD1 3.4Å; Y401-L529 VanDerWaalsContact CE2-CD1 3.4Å; Y401-L529 HydrophobicContact CG-CD1 3.75Å; Y401-L529 VanDerWaalsContact CZ-CD1 3.43Å; I521-L529 HydrophobicContact CB-CD2 4.31Å; I521-L529 HydrophobicContact CD1-CD2 4.08Å; I521-L529 HydrophobicContact CG2-CD2 4.5Å; V523-L529 HydrophobicContact CG2-CD2 4.31Å; K526-L529 HydrophobicContact CB-CD1 4.14Å; K526-L529 HydrophobicContact CG-CD1 4.4Å; A527-L529 VanDerWaalsContact C-N 3.25Å; A527-L529 PolarHBondContact O-N 3.13Å; L529-Q531 PolarHBondContact O-N 2.79Å; L529-L532 WeakPolarHBondContact O-CB 3.31Å; L529-L532 PolarHBondContact O-N 3.25Å; L529-E533 WeakPolarHBondContact O-CG 3.26Å; L529-E533 PolarHBondContact O-N 2.77Å
530	D	86.5	Confident	85.1	Confident	98 Å²	98	55 Å²	55	52%	0.524	29%	0.286	S	S	.	.	H	α-helix	trans	-55	-38	172.7	-77.8	-49.3	0	0	0	112.5	R428 E533 E534	R428-D530 IonicContact NH2-OD1 2.72Å; R428-D530 PolarHBondContact NH2-OD1 2.93Å; D530-E533 PolarHBondContact O-N 2.79Å; D530-E534 WeakPolarHBondContact O-CB 3.24Å; D530-E534 PolarHBondContact O-N 3.33Å
531	Q	85.8	Confident	84.4	Confident	109 Å²	109	53.7 Å²	53.7	51%	0.509	27%	0.272	S	S	.	.	H	α-helix	trans	-69.8	-36.8	179.5	-64.1	171	-8.7	0	0	111.4	F519 G528 L529 E534 A535	F519-Q531 HydrophobicContact CD1-CB 4.07Å; F519-Q531 HydrophobicContact CE1-CB 4.33Å; G528-Q531 WeakPolarHBondContact O-CB 3.23Å; G528-Q531 PolarHBondContact O-N 3.31Å; L529-Q531 PolarHBondContact O-N 2.79Å; Q531-E534 PolarHBondContact O-N 3.29Å; Q531-A535 VanDerWaalsContact O-CB 3.26Å; Q531-A535 WeakPolarHBondContact O-CB 3.48Å; Q531-A535 PolarHBondContact O-N 2.89Å
532	L	88.2	Confident	82.9	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.01	30%	0.301	C	S	.	.	H	α-helix	trans	-63	-45.8	172.5	169.9	57.6	0	0	0	111	L398 L466 I492 L494 G528 L529 E534 A535 I536	L398-L532 HydrophobicContact CD1-CD2 4.08Å; L466-L532 HydrophobicContact CD2-CD1 4.29Å; I492-L532 HydrophobicContact CD1-CD1 4.43Å; I492-L532 HydrophobicContact CG2-CD1 3.99Å; L494-L532 HydrophobicContact CD1-CD1 4.31Å; L494-L532 HydrophobicContact CD1-CD2 3.66Å; L494-L532 HydrophobicContact CD2-CD1 3.69Å; L494-L532 HydrophobicContact CD2-CD2 3.97Å; L494-L532 HydrophobicContact CD2-CG 4.28Å; L494-L532 HydrophobicContact CG-CD2 4.5Å; G528-L532 PolarHBondContact O-N 2.77Å; L529-L532 WeakPolarHBondContact O-CB 3.31Å; L529-L532 PolarHBondContact O-N 3.25Å; L532-E534 VanDerWaalsContact C-N 3.34Å; L532-E534 PolarHBondContact O-N 2.88Å; L532-A535 WeakPolarHBondContact O-CB 3.32Å; L532-A535 PolarHBondContact O-N 2.74Å; L532-I536 HydrophobicContact CD1-CD1 3.82Å; L532-I536 HydrophobicContact CD1-CG1 4.11Å; L532-I536 HydrophobicContact CG-CD1 4.05Å; L532-I536 WeakPolarHBondContact O-CG1 3.41Å; L532-I536 PolarHBondContact O-N 3.07Å
533	E	86.1	Confident	81.1	Confident	25 Å²	25	59.4 Å²	59.4	12%	0.117	33%	0.331	C	S	.	.	H	α-helix	trans	-62.5	-41.5	177.5	-62.9	-171.6	166.7	0	0	112.5	V427 R428 L529 D530 A535 I536 A537	V427-E533 HydrophobicContact CG1-CB 3.73Å; V427-E533 HydrophobicContact CG1-CG 3.81Å; R428-E533 HydrophobicContact CG-CB 3.82Å; R428-E533 IonicContact CZ-OE2 3.94Å; R428-E533 IonicContact NE-OE2 3.1Å; R428-E533 PolarHBondContact NE-OE2 2.96Å; R428-E533 IonicContact NH2-OE2 2.87Å; R428-E533 PolarHBondContact NH2-OE2 2.73Å; L529-E533 WeakPolarHBondContact O-CG 3.26Å; L529-E533 PolarHBondContact O-N 2.77Å; D530-E533 PolarHBondContact O-N 2.79Å; E533-A535 VanDerWaalsContact C-N 3.35Å; E533-I536 PolarHBondContact O-N 3.37Å; E533-A537 WeakPolarHBondContact O-CB 3.48Å; E533-A537 PolarHBondContact O-N 3.01Å
534	E	85.5	Confident	79.6	Confident	137 Å²	137	62.8 Å²	62.8	64%	0.64	35%	0.346	S	S	*	.	H	α-helix	trans	-65.7	-38.7	175.9	-170.8	174.2	-167.5	0	0	111.5	D530 Q531 L532 A537 K538	D530-E534 WeakPolarHBondContact O-CB 3.24Å; D530-E534 PolarHBondContact O-N 3.33Å; Q531-E534 PolarHBondContact O-N 3.29Å; L532-E534 VanDerWaalsContact C-N 3.34Å; L532-E534 PolarHBondContact O-N 2.88Å; E534-A537 PolarHBondContact O-N 3.27Å; E534-K538 WeakPolarHBondContact O-CB 3.5Å; E534-K538 PolarHBondContact O-N 3.01Å
535	A	84.6	Confident	77.6	Confident	5 Å²	5	62.9 Å²	62.9	4%	0.041	35%	0.352	C	S	.	.	H	α-helix	trans	-63.5	-46.2	175.5	0	0	0	0	0	111.8	F519 Q531 L532 E533 K538 L539	F519-A535 HydrophobicContact CD2-CB 4.46Å; F519-A535 HydrophobicContact CE1-CB 4.06Å; F519-A535 HydrophobicContact CE2-CB 3.47Å; F519-A535 VanDerWaalsContact CE2-CB 3.47Å; F519-A535 HydrophobicContact CZ-CB 3.25Å; Q531-A535 VanDerWaalsContact O-CB 3.26Å; Q531-A535 WeakPolarHBondContact O-CB 3.48Å; Q531-A535 PolarHBondContact O-N 2.89Å; L532-A535 WeakPolarHBondContact O-CB 3.32Å; L532-A535 PolarHBondContact O-N 2.74Å; E533-A535 VanDerWaalsContact C-N 3.35Å; A535-K538 PolarHBondContact O-N 3.26Å; A535-L539 VanDerWaalsContact O-CB 3.24Å; A535-L539 WeakPolarHBondContact O-CB 3.27Å; A535-L539 PolarHBondContact O-N 2.96Å
536	I	85.7	Confident	75.5	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-56.7	-55.5	172.9	-70.4	167.9	0	0	0	108.7	V427 V430 L432 L464 L466 I492 L532 E533 K538 L539 F540	V427-I536 HydrophobicContact CB-CG2 4.33Å; V427-I536 HydrophobicContact CG1-CB 4.24Å; V427-I536 HydrophobicContact CG1-CD1 4.22Å; V427-I536 HydrophobicContact CG1-CG2 4.04Å; V430-I536 HydrophobicContact CB-CG2 4.43Å; V430-I536 HydrophobicContact CG2-CG2 4.43Å; L432-I536 HydrophobicContact CD1-CD1 4.25Å; L432-I536 HydrophobicContact CD2-CG2 4.02Å; L464-I536 HydrophobicContact CD2-CG1 4.43Å; L466-I536 HydrophobicContact CD1-CD1 4.5Å; L466-I536 HydrophobicContact CD2-CD1 4.43Å; I492-I536 HydrophobicContact CD1-CG1 3.88Å; L532-I536 HydrophobicContact CD1-CD1 3.82Å; L532-I536 HydrophobicContact CD1-CG1 4.11Å; L532-I536 HydrophobicContact CG-CD1 4.05Å; L532-I536 WeakPolarHBondContact O-CG1 3.41Å; L532-I536 PolarHBondContact O-N 3.07Å; E533-I536 PolarHBondContact O-N 3.37Å; I536-K538 VanDerWaalsContact C-N 3.29Å; I536-K538 PolarHBondContact O-N 3.04Å; I536-L539 PolarHBondContact O-N 3.35Å; I536-L539 VanDerWaalsContact O-N 3.13Å; I536-F540 HydrophobicContact CG2-CD2 3.92Å; I536-F540 HydrophobicContact CG2-CE2 3.8Å; I536-F540 WeakPolarHBondContact O-CD2 3.37Å; I536-F540 WeakPolarHBondContact O-CE2 3.09Å; I536-F540 PolarHBondContact O-N 3.14Å
537	A	82.4	Confident	74	Confident	16 Å²	16	60.6 Å²	60.6	13%	0.132	36%	0.361	C	S	.	.	H	α-helix	trans	-55.6	-43.2	179.7	0	0	0	0	0	112.6	R428 E533 E534 F540 F541	R428-A537 HydrophobicContact CB-CB 3.88Å; E533-A537 WeakPolarHBondContact O-CB 3.48Å; E533-A537 PolarHBondContact O-N 3.01Å; E534-A537 PolarHBondContact O-N 3.27Å; A537-F540 PolarHBondContact O-N 2.76Å; A537-F541 HydrophobicContact CB-CD2 4.2Å; A537-F541 VanDerWaalsContact O-CB 3.29Å; A537-F541 WeakPolarHBondContact O-CB 3.49Å; A537-F541 WeakPolarHBondContact O-CD2 3.39Å; A537-F541 PolarHBondContact O-N 2.88Å
538	K	82.3	Confident	72.2	Confident	137 Å²	137	67.6 Å²	67.6	60%	0.596	38%	0.383	S	S	*	.	H	α-helix	trans	-69.6	-37.8	178.9	-174.8	-174.2	175.3	-165	0	112.2	E534 A535 I536 F540 G542	E534-K538 WeakPolarHBondContact O-CB 3.5Å; E534-K538 PolarHBondContact O-N 3.01Å; A535-K538 PolarHBondContact O-N 3.26Å; I536-K538 VanDerWaalsContact C-N 3.29Å; I536-K538 PolarHBondContact O-N 3.04Å; K538-F540 PolarHBondContact O-N 3.33Å; K538-G542 WeakPolarHBondContact O-CA 3.24Å; K538-G542 PolarHBondContact O-N 3.01Å
539	L	78	Confident	70.7	Confident	57 Å²	57	73.5 Å²	73.5	30%	0.298	41%	0.41	S	S	.	.	H	α-helix	trans	-62.8	-31.2	177.4	-165.2	146	0	0	0	111.1	I492 A535 I536	I492-L539 HydrophobicContact CD1-CD1 4.37Å; I492-L539 HydrophobicContact CG1-CD1 4.39Å; A535-L539 VanDerWaalsContact O-CB 3.24Å; A535-L539 WeakPolarHBondContact O-CB 3.27Å; A535-L539 PolarHBondContact O-N 2.96Å; I536-L539 PolarHBondContact O-N 3.35Å; I536-L539 VanDerWaalsContact O-N 3.13Å
540	F	73.2	Confident	69.5	Low	33 Å²	33	74.3 Å²	74.3	15%	0.145	42%	0.416	C	S	.	.	H	α-helix	trans	-91.2	-45.2	177.9	-63.5	-62.5	0	0	0	114.2	I378 L383 V430 L464 I536 A537 K538	I378-F540 HydrophobicContact CD1-CD1 4.48Å; L383-F540 HydrophobicContact CD1-CD1 4.07Å; L383-F540 HydrophobicContact CD1-CE1 3.31Å; L383-F540 HydrophobicContact CD1-CZ 3.81Å; L383-F540 HydrophobicContact CD2-CD1 4.18Å; L383-F540 HydrophobicContact CD2-CD2 4.08Å; L383-F540 HydrophobicContact CD2-CE1 3.37Å; L383-F540 HydrophobicContact CD2-CE2 3.3Å; L383-F540 HydrophobicContact CD2-CZ 2.93Å; L383-F540 HydrophobicContact CG-CE1 3.92Å; L383-F540 HydrophobicContact CG-CZ 3.94Å; V430-F540 HydrophobicContact CB-CD2 4.48Å; V430-F540 HydrophobicContact CG1-CD2 3.74Å; V430-F540 HydrophobicContact CG1-CE2 4.43Å; V430-F540 HydrophobicContact CG1-CG 4.12Å; V430-F540 HydrophobicContact CG2-CB 4.19Å; V430-F540 HydrophobicContact CG2-CD2 4.03Å; V430-F540 HydrophobicContact CG2-CG 4.41Å; L464-F540 HydrophobicContact CB-CZ 4.34Å; L464-F540 HydrophobicContact CD2-CE2 3.93Å; L464-F540 HydrophobicContact CD2-CZ 3.9Å; L464-F540 HydrophobicContact CG-CZ 4.48Å; I536-F540 HydrophobicContact CG2-CD2 3.92Å; I536-F540 HydrophobicContact CG2-CE2 3.8Å; I536-F540 WeakPolarHBondContact O-CD2 3.37Å; I536-F540 WeakPolarHBondContact O-CE2 3.09Å; I536-F540 PolarHBondContact O-N 3.14Å; A537-F540 PolarHBondContact O-N 2.76Å; K538-F540 PolarHBondContact O-N 3.33Å
541	F	72.9	Confident	68.6	Low	41 Å²	41	71.4 Å²	71.4	18%	0.18	40%	0.402	C	S	.	.	H	α-helix	trans	-95.2	-8.6	-175.7	-57.8	-60.4	0	0	0	113.7	R304 V430 A537 G543 Q544	R304-F541 VanDerWaalsContact NH1-CE1 3.33Å; V430-F541 HydrophobicContact CG2-CD2 4.14Å; V430-F541 HydrophobicContact CG2-CE2 3.3Å; V430-F541 HydrophobicContact CG2-CZ 3.74Å; A537-F541 HydrophobicContact CB-CD2 4.2Å; A537-F541 VanDerWaalsContact O-CB 3.29Å; A537-F541 WeakPolarHBondContact O-CB 3.49Å; A537-F541 WeakPolarHBondContact O-CD2 3.39Å; A537-F541 PolarHBondContact O-N 2.88Å; F541-G543 PolarHBondContact O-N 3.32Å; F541-Q544 PolarHBondContact O-N 2.91Å
542	G	60.7	Low	68.1	Low	59 Å²	59	68.3 Å²	68.3	61%	0.608	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-1.2	-173.8	0	0	0	0	0	115.6	K538	K538-G542 WeakPolarHBondContact O-CA 3.24Å; K538-G542 PolarHBondContact O-N 3.01Å
543	G	54.8	Low	67.5	Low	62 Å²	62	68.3 Å²	68.3	64%	0.639	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-23	176.9	0	0	0	0	0	115	F541	F541-G543 PolarHBondContact O-N 3.32Å
544	Q	52.1	Low	66.9	Low	87 Å²	87	67.3 Å²	67.3	41%	0.407	38%	0.382	S	S	.	.	S	Bend	trans	-165	126	-178.4	-104.7	146.9	36.7	0	0	110.6	F541 G546	F541-Q544 PolarHBondContact O-N 2.91Å; Q544-G546 PolarHBondContact O-N 3.3Å; Q544-G546 VanDerWaalsContact O-N 3.15Å
545	T	43.7	Very low	66.7	Low	133 Å²	133	61.4 Å²	61.4	82%	0.816	36%	0.355	S	S	*	.			trans	-53.4	112.2	174.7	37.2	0	0	0	0	110.9	E547	T545-E547 PolarHBondContact O-N 2.86Å
546	G	43.5	Very low	66.4	Low	66 Å²	66	64.7 Å²	64.7	68%	0.68	38%	0.375	S	S	*	.				49.8	14.4	112.3	0	0	0	0	0	120.1	Q544 K548	Q544-G546 PolarHBondContact O-N 3.3Å; Q544-G546 VanDerWaalsContact O-N 3.15Å; G546-K548 PolarHBondContact O-N 2.83Å
547	E	50.5	Low	66.2	Low	141 Å²	141	69 Å²	69	66%	0.659	39%	0.391	S	S	*	.			trans	-68.7	102.7	167.4	-80.9	-169.5	167.9	0	0	107.2	T545 D549 A550	T545-E547 PolarHBondContact O-N 2.86Å; E547-D549 PolarHBondContact O-N 3.38Å; E547-A550 HydrophobicContact CB-CB 4.21Å; E547-A550 PolarHBondContact O-N 3.21Å; E547-A550 VanDerWaalsContact O-N 3.09Å
548	K	49.5	Very low	66.5	Low	192 Å²	192	69.1 Å²	69.1	84%	0.835	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-17.7	174.2	-76.1	-177.1	171.9	-176.7	0	112.7	G546	G546-K548 PolarHBondContact O-N 2.83Å
549	D	53.3	Low	66.5	Low	143 Å²	143	63.7 Å²	63.7	77%	0.765	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	2.4	-175.9	-59.4	-27.1	0	0	0	113.6	E547 T551	E547-D549 PolarHBondContact O-N 3.38Å; D549-T551 PolarHBondContact O-N 3.06Å
550	A	60.8	Low	66.6	Low	17 Å²	17	63.4 Å²	63.4	14%	0.14	37%	0.372	C	S	.	.			trans	-62.3	131.2	177.1	0	0	0	0	0	110.7	E547 Y552	E547-A550 HydrophobicContact CB-CB 4.21Å; E547-A550 PolarHBondContact O-N 3.21Å; E547-A550 VanDerWaalsContact O-N 3.09Å; A550-Y552 HydrophobicContact CB-CE2 3.9Å; A550-Y552 WeakPolarHBondContact O-CD2 3.16Å; A550-Y552 WeakPolarHBondContact O-CE2 3.26Å; A550-Y552 PolarHBondContact O-N 2.66Å
551	T	67.9	Low	67.3	Low	38 Å²	38	66.4 Å²	66.4	23%	0.233	39%	0.389	C	S	.	.			trans	-79.8	111.8	174	-59.3	0	0	0	0	108.5	L369 D549	L369-T551 HydrophobicContact CD2-CG2 4.09Å; D549-T551 PolarHBondContact O-N 3.06Å
552	Y	74.2	Confident	68	Low	44 Å²	44	65 Å²	65	17%	0.173	38%	0.383	C	S	.	.			trans	-89.9	134.6	177.2	-68.1	-93.8	0	0	0	110.4	V308 N372 Q375 A550	V308-Y552 HydrophobicContact CG2-CD2 3.69Å; V308-Y552 HydrophobicContact CG2-CE2 4.41Å; V308-Y552 HydrophobicContact CG2-CG 4.08Å; N372-Y552 HydrophobicContact CB-CD1 4.15Å; N372-Y552 HydrophobicContact CB-CE1 4.49Å; Q375-Y552 HydrophobicContact CB-CD1 4.33Å; Q375-Y552 HydrophobicContact CB-CE1 4.08Å; A550-Y552 HydrophobicContact CB-CE2 3.9Å; A550-Y552 WeakPolarHBondContact O-CD2 3.16Å; A550-Y552 WeakPolarHBondContact O-CE2 3.26Å; A550-Y552 PolarHBondContact O-N 2.66Å
553	V	76.9	Confident	69	Low	1 Å²	1	66.9 Å²	66.9	1%	0.006	38%	0.376	C	S	.	.			trans	-102.6	106.1	169.7	-176.3	0	0	0	0	108.3	L317 L369 A373 H558 I559 L562	L317-V553 HydrophobicContact CD1-CG2 4.15Å; L369-V553 HydrophobicContact CB-CG2 4.03Å; L369-V553 HydrophobicContact CD2-CG2 3.92Å; L369-V553 HydrophobicContact CG-CG2 4.44Å; A373-V553 VanDerWaalsContact CA-O 3.29Å; A373-V553 WeakPolarHBondContact CA-O 3.42Å; V553-H558 HydrophobicContact CG1-CB 3.43Å; V553-H558 VanDerWaalsContact CG1-CB 3.43Å; V553-I559 HydrophobicContact CG1-CG1 3.97Å; V553-L562 HydrophobicContact CG1-CD1 4.17Å; V553-L562 HydrophobicContact CG2-CD1 3.96Å
554	S	72.7	Confident	70.2	Confident	4 Å²	4	70.6 Å²	70.6	3%	0.028	38%	0.375	C	S	.	.			trans	-94.4	-24.5	-177.1	59.7	0	0	0	0	114	G376	G376-S554 WeakPolarHBondContact O-CB 3.43Å
555	N	81.6	Confident	71.9	Confident	14 Å²	14	68.3 Å²	68.3	8%	0.075	37%	0.371	C	S	.	.			trans	-86.1	124.5	-172.1	-168.2	-33.3	0	0	0	112	E292 R557 H558 I559	E292-N555 PolarHBondContact OE1-ND2 3.23Å; E292-N555 PolarHBondContact OE2-ND2 3.38Å; N555-R557 PolarHBondContact O-N 2.95Å; N555-R557 VanDerWaalsContact O-N 3.16Å; N555-R557 WeakPolarHBondContact OD1-CB 3.46Å; N555-R557 PolarHBondContact OD1-N 3.47Å; N555-H558 HydrophobicContact CB-CB 4.31Å; N555-H558 WeakPolarHBondContact O-CA 3.05Å; N555-H558 WeakPolarHBondContact O-CB 3.49Å; N555-H558 PolarHBondContact O-N 2.69Å; N555-I559 WeakPolarHBondContact O-CG1 3.17Å; N555-I559 PolarHBondContact O-N 3.21Å
556	T	76.9	Confident	73.9	Confident	74 Å²	74	62.4 Å²	62.4	45%	0.454	34%	0.336	S	S	.	.	H	α-helix	trans	-51.4	-37.5	174.9	-41.7	0	0	0	0	113.2	I559 A560	T556-I559 PolarHBondContact O-N 3.45Å; T556-A560 WeakPolarHBondContact O-CB 3.32Å; T556-A560 PolarHBondContact O-N 3.07Å
557	R	83.5	Confident	75.3	Confident	90 Å²	90	65.1 Å²	65.1	34%	0.34	33%	0.331	S	S	.	.	H	α-helix	trans	-63	-43.3	176.1	-173.1	-178.3	63.5	69.2	2.3	111.5	E292 N555 L561	E292-R557 VanDerWaalsContact CD-NH2 3.28Å; E292-R557 IonicContact OE1-CZ 2.95Å; E292-R557 IonicContact OE1-NE 2.79Å; E292-R557 PolarHBondContact OE1-NE 3.23Å; E292-R557 VanDerWaalsContact OE1-NE 3.14Å; E292-R557 IonicContact OE1-NH2 3.22Å; E292-R557 PolarHBondContact OE1-NH2 2.83Å; E292-R557 IonicContact OE2-NH2 3.13Å; E292-R557 PolarHBondContact OE2-NH2 2.76Å; N555-R557 PolarHBondContact O-N 2.95Å; N555-R557 VanDerWaalsContact O-N 3.16Å; N555-R557 WeakPolarHBondContact OD1-CB 3.46Å; N555-R557 PolarHBondContact OD1-N 3.47Å; R557-L561 HydrophobicContact CG-CD1 4.24Å; R557-L561 VanDerWaalsContact O-CG 3.27Å; R557-L561 WeakPolarHBondContact O-CG 3.47Å; R557-L561 PolarHBondContact O-N 2.87Å; R557-L561 VanDerWaalsContact O-N 3.15Å
558	H	87	Confident	76.9	Confident	19 Å²	19	61.1 Å²	61.1	9%	0.088	32%	0.319	C	S	.	.	H	α-helix	trans	-66.1	-41.4	176.5	-64.1	156.6	0	0	0	111.2	E292 V553 N555 L561 L562	E292-H558 IonicContact OE2-CE1 3.08Å; E292-H558 PolarHBondContact OE2-CE1 3.35Å; E292-H558 IonicContact OE2-ND1 3.26Å; E292-H558 IonicContact OE2-NE2 3.39Å; E292-H558 PolarHBondContact OE2-NE2 2.97Å; V553-H558 HydrophobicContact CG1-CB 3.43Å; V553-H558 VanDerWaalsContact CG1-CB 3.43Å; N555-H558 HydrophobicContact CB-CB 4.31Å; N555-H558 WeakPolarHBondContact O-CA 3.05Å; N555-H558 WeakPolarHBondContact O-CB 3.49Å; N555-H558 PolarHBondContact O-N 2.69Å; H558-L561 PolarHBondContact O-N 3.36Å; H558-L562 WeakPolarHBondContact O-CB 3.35Å; H558-L562 VanDerWaalsContact O-CG 3.31Å; H558-L562 WeakPolarHBondContact O-CG 3.33Å; H558-L562 PolarHBondContact O-N 2.87Å
559	I	83.2	Confident	78.5	Confident	22 Å²	22	53.2 Å²	53.2	11%	0.113	29%	0.285	C	S	.	.	H	α-helix	trans	-59	-52.3	177.3	-61.7	168.5	0	0	0	110.3	L370 A373 V553 N555 T556 L561 L562 E563	L370-I559 HydrophobicContact CD2-CG2 3.87Å; A373-I559 HydrophobicContact CB-CD1 3.7Å; A373-I559 HydrophobicContact CB-CG1 3.74Å; V553-I559 HydrophobicContact CG1-CG1 3.97Å; N555-I559 WeakPolarHBondContact O-CG1 3.17Å; N555-I559 PolarHBondContact O-N 3.21Å; T556-I559 PolarHBondContact O-N 3.45Å; I559-L561 VanDerWaalsContact C-N 3.31Å; I559-L561 PolarHBondContact O-N 3.43Å; I559-L562 PolarHBondContact O-N 2.97Å; I559-L562 VanDerWaalsContact O-N 3.14Å; I559-E563 HydrophobicContact CG2-CG 4.39Å; I559-E563 WeakPolarHBondContact O-CG 3.26Å; I559-E563 PolarHBondContact O-N 2.81Å
560	A	79.6	Confident	79.4	Confident	51 Å²	51	50.3 Å²	50.3	42%	0.421	27%	0.27	S	S	.	.	H	α-helix	trans	-61	-37.7	-179.8	0	0	0	0	0	112.9	T556 K564	T556-A560 WeakPolarHBondContact O-CB 3.32Å; T556-A560 PolarHBondContact O-N 3.07Å; A560-K564 WeakPolarHBondContact O-CB 3.49Å; A560-K564 PolarHBondContact O-N 2.85Å
561	L	87.2	Confident	79.8	Confident	97 Å²	97	55.4 Å²	55.4	51%	0.508	29%	0.291	S	S	.	.	H	α-helix	trans	-69.8	-37.6	176.3	-71.3	170.5	0	0	0	112.3	R557 H558 I559 A565	R557-L561 HydrophobicContact CG-CD1 4.24Å; R557-L561 VanDerWaalsContact O-CG 3.27Å; R557-L561 WeakPolarHBondContact O-CG 3.47Å; R557-L561 PolarHBondContact O-N 2.87Å; R557-L561 VanDerWaalsContact O-N 3.15Å; H558-L561 PolarHBondContact O-N 3.36Å; I559-L561 VanDerWaalsContact C-N 3.31Å; I559-L561 PolarHBondContact O-N 3.43Å; L561-A565 WeakPolarHBondContact O-CB 3.36Å; L561-A565 PolarHBondContact O-N 3.36Å
562	L	87.9	Confident	80	Confident	12 Å²	12	56.4 Å²	56.4	6%	0.063	30%	0.297	C	S	.	.	H	α-helix	trans	-68	-42.5	174.7	-76.3	170.9	0	0	0	111.5	I321 I366 L369 L370 V553 H558 I559 K564 A565 G566	I321-L562 HydrophobicContact CD1-CD2 4.05Å; I366-L562 HydrophobicContact CG1-CD2 4.14Å; I366-L562 HydrophobicContact CG2-CB 4.14Å; I366-L562 HydrophobicContact CG2-CD2 4.29Å; I366-L562 WeakPolarHBondContact CG2-O 3.48Å; L369-L562 HydrophobicContact CB-CD1 4.03Å; L369-L562 HydrophobicContact CD1-CD1 4.11Å; L369-L562 HydrophobicContact CD1-CD2 4.08Å; L370-L562 HydrophobicContact CD2-CB 3.84Å; L370-L562 HydrophobicContact CG-CB 4.23Å; V553-L562 HydrophobicContact CG1-CD1 4.17Å; V553-L562 HydrophobicContact CG2-CD1 3.96Å; H558-L562 WeakPolarHBondContact O-CB 3.35Å; H558-L562 VanDerWaalsContact O-CG 3.31Å; H558-L562 WeakPolarHBondContact O-CG 3.33Å; H558-L562 PolarHBondContact O-N 2.87Å; I559-L562 PolarHBondContact O-N 2.97Å; I559-L562 VanDerWaalsContact O-N 3.14Å; L562-K564 VanDerWaalsContact C-N 3.35Å; L562-K564 PolarHBondContact O-N 3.04Å; L562-A565 PolarHBondContact O-N 3.28Å; L562-G566 PolarHBondContact O-N 3.48Å
563	E	82.2	Confident	79.9	Confident	98 Å²	98	55.8 Å²	55.8	46%	0.458	30%	0.296	S	S	.	.	H	α-helix	trans	-59	-45.9	173.2	-73.8	174.4	166	0	0	111.2	L370 I559 A565 G566 Q567	L370-E563 HydrophobicContact CD1-CG 3.96Å; L370-E563 HydrophobicContact CD2-CG 3.86Å; I559-E563 HydrophobicContact CG2-CG 4.39Å; I559-E563 WeakPolarHBondContact O-CG 3.26Å; I559-E563 PolarHBondContact O-N 2.81Å; E563-A565 PolarHBondContact O-N 3.5Å; E563-G566 PolarHBondContact O-N 3.5Å; E563-Q567 WeakPolarHBondContact O-CG 2.87Å; E563-Q567 PolarHBondContact O-N 3.41Å
564	K	81.3	Confident	79	Confident	139 Å²	139	61 Å²	61	60%	0.604	32%	0.323	S	S	*	.	H	α-helix	trans	-60.6	-44.5	175.4	-174.1	175.8	-178.8	176.9	0	111.8	A560 L562 Q567 S568	A560-K564 WeakPolarHBondContact O-CB 3.49Å; A560-K564 PolarHBondContact O-N 2.85Å; L562-K564 VanDerWaalsContact C-N 3.35Å; L562-K564 PolarHBondContact O-N 3.04Å; K564-Q567 PolarHBondContact O-N 2.9Å; K564-S568 PolarHBondContact O-N 3.1Å; K564-S568 PolarHBondContact O-OG 2.92Å
565	A	87.2	Confident	78.6	Confident	40 Å²	40	62.4 Å²	62.4	33%	0.331	34%	0.339	S	S	.	.	H	α-helix	trans	-63	-42.3	176.9	0	0	0	0	0	112.1	I366 L561 L562 E563 Q567 S568 L569	I366-A565 HydrophobicContact CD1-CB 3.83Å; L561-A565 WeakPolarHBondContact O-CB 3.36Å; L561-A565 PolarHBondContact O-N 3.36Å; L562-A565 PolarHBondContact O-N 3.28Å; E563-A565 PolarHBondContact O-N 3.5Å; A565-Q567 PolarHBondContact O-N 2.79Å; A565-S568 PolarHBondContact O-N 3.45Å; A565-L569 WeakPolarHBondContact O-CG 3.43Å; A565-L569 PolarHBondContact O-N 3.35Å
566	G	84.5	Confident	77.8	Confident	9 Å²	9	64.1 Å²	64.1	9%	0.093	35%	0.347	C	S	.	.	H	α-helix	trans	-62.1	-40.6	175	0	0	0	0	0	112.7	L562 E563 L569 N570	L562-G566 PolarHBondContact O-N 3.48Å; E563-G566 PolarHBondContact O-N 3.5Å; G566-L569 PolarHBondContact O-N 3.47Å; G566-N570 PolarHBondContact O-N 2.84Å
567	Q	74.6	Confident	76.9	Confident	123 Å²	123	65.8 Å²	65.8	58%	0.575	35%	0.351	S	S	*	.	H	α-helix	trans	-60.1	-48	173.4	-74	172.1	2	0	0	111.8	E563 K564 A565 L569 N570 E571	E563-Q567 WeakPolarHBondContact O-CG 2.87Å; E563-Q567 PolarHBondContact O-N 3.41Å; K564-Q567 PolarHBondContact O-N 2.9Å; A565-Q567 PolarHBondContact O-N 2.79Å; Q567-L569 VanDerWaalsContact C-N 3.3Å; Q567-L569 PolarHBondContact O-N 3.24Å; Q567-N570 WeakPolarHBondContact O-CB 3.48Å; Q567-N570 PolarHBondContact O-N 3.04Å; Q567-N570 VanDerWaalsContact O-N 3.14Å; Q567-E571 WeakPolarHBondContact O-CG 3.5Å; Q567-E571 PolarHBondContact O-N 3.28Å
568	S	82.5	Confident	75.5	Confident	56 Å²	56	63 Å²	63	39%	0.392	35%	0.348	S	S	.	.	H	α-helix	trans	-61.2	-35.7	177.2	-61.1	0	0	0	0	113	K564 A565 E571 V572	K564-S568 PolarHBondContact O-N 3.1Å; K564-S568 PolarHBondContact O-OG 2.92Å; A565-S568 PolarHBondContact O-N 3.45Å; S568-E571 WeakPolarHBondContact O-CB 3.49Å; S568-E571 PolarHBondContact O-N 2.98Å; S568-V572 PolarHBondContact O-N 3.24Å
569	L	83.3	Confident	74.8	Confident	26 Å²	26	65.3 Å²	65.3	14%	0.136	36%	0.361	C	S	.	.	H	α-helix	trans	-68.5	-39.1	174.2	-67.7	174.4	0	0	0	112.3	A359 V362 I366 A565 G566 Q567 E571 V572 Q573	A359-L569 HydrophobicContact CB-CD2 4.28Å; V362-L569 HydrophobicContact CB-CD1 3.87Å; V362-L569 HydrophobicContact CG1-CD1 3.61Å; I366-L569 HydrophobicContact CD1-CD1 3.84Å; A565-L569 WeakPolarHBondContact O-CG 3.43Å; A565-L569 PolarHBondContact O-N 3.35Å; G566-L569 PolarHBondContact O-N 3.47Å; Q567-L569 VanDerWaalsContact C-N 3.3Å; Q567-L569 PolarHBondContact O-N 3.24Å; L569-E571 VanDerWaalsContact C-N 3.28Å; L569-E571 PolarHBondContact O-N 3.08Å; L569-V572 WeakPolarHBondContact O-CB 3.29Å; L569-V572 PolarHBondContact O-N 3.33Å; L569-Q573 WeakPolarHBondContact O-CG 3.13Å; L569-Q573 PolarHBondContact O-N 3.31Å
570	N	73.3	Confident	74.7	Confident	82 Å²	82	68.1 Å²	68.1	44%	0.439	37%	0.374	S	S	.	.	H	α-helix	trans	-63.4	-35.9	173.9	-77.2	-26.3	0	0	0	111.7	G566 Q567 Q573 N574	G566-N570 PolarHBondContact O-N 2.84Å; Q567-N570 WeakPolarHBondContact O-CB 3.48Å; Q567-N570 PolarHBondContact O-N 3.04Å; Q567-N570 VanDerWaalsContact O-N 3.14Å; N570-Q573 PolarHBondContact O-N 3.47Å; N570-N574 VanDerWaalsContact O-CB 3.29Å; N570-N574 WeakPolarHBondContact O-CB 3.28Å; N570-N574 PolarHBondContact O-N 3.11Å; N570-N574 PolarHBondContact O-ND2 3.13Å; N570-N574 VanDerWaalsContact O-ND2 3.13Å
571	E	68.9	Low	75.2	Confident	125 Å²	125	67 Å²	67	58%	0.584	36%	0.363	S	S	*	.	H	α-helix	trans	-62.1	-40.9	173.5	-71.4	171.9	175.7	0	0	112.2	Q567 S568 L569 N574 G575	Q567-E571 WeakPolarHBondContact O-CG 3.5Å; Q567-E571 PolarHBondContact O-N 3.28Å; S568-E571 WeakPolarHBondContact O-CB 3.49Å; S568-E571 PolarHBondContact O-N 2.98Å; L569-E571 VanDerWaalsContact C-N 3.28Å; L569-E571 PolarHBondContact O-N 3.08Å; E571-N574 PolarHBondContact O-N 3Å; E571-G575 PolarHBondContact O-N 3.22Å
572	V	72.6	Confident	75.3	Confident	58 Å²	58	64 Å²	64	35%	0.352	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-49.3	173.9	173.4	0	0	0	0	110.8	L355 A359 S568 L569 N574 G575 I576	L355-V572 HydrophobicContact CD2-CG1 4.39Å; A359-V572 HydrophobicContact CB-CG1 4.37Å; S568-V572 PolarHBondContact O-N 3.24Å; L569-V572 WeakPolarHBondContact O-CB 3.29Å; L569-V572 PolarHBondContact O-N 3.33Å; V572-N574 PolarHBondContact O-N 3.01Å; V572-G575 PolarHBondContact O-N 3.21Å; V572-I576 HydrophobicContact CG1-CD1 3.87Å; V572-I576 WeakPolarHBondContact O-CG1 3.4Å; V572-I576 PolarHBondContact O-N 3.34Å
573	Q	70.3	Confident	75.4	Confident	32 Å²	32	66.6 Å²	66.6	15%	0.15	36%	0.362	C	S	.	.	H	α-helix	trans	-60.8	-45.9	179.5	-64.8	179.7	16.7	0	0	111.6	L356 A359 L569 N570 G575 I576 M577	L356-Q573 HydrophobicContact CD1-CB 4.2Å; L356-Q573 HydrophobicContact CD1-CG 4.05Å; A359-Q573 HydrophobicContact CB-CG 3.85Å; A359-Q573 PolarHBondContact O-NE2 3.42Å; L569-Q573 WeakPolarHBondContact O-CG 3.13Å; L569-Q573 PolarHBondContact O-N 3.31Å; N570-Q573 PolarHBondContact O-N 3.47Å; Q573-G575 VanDerWaalsContact C-N 3.32Å; Q573-G575 PolarHBondContact O-N 2.6Å; Q573-I576 PolarHBondContact O-N 3.34Å; Q573-M577 WeakPolarHBondContact O-CB 3.4Å; Q573-M577 WeakPolarHBondContact O-CG 3.28Å; Q573-M577 PolarHBondContact O-N 2.93Å
574	N	59	Low	75.8	Confident	109 Å²	109	62 Å²	62	58%	0.583	34%	0.341	S	S	*	.	H	α-helix	trans	-64.2	-37.9	177.8	-72.5	-29.2	0	0	0	111.8	N570 E571 V572 M577 A578	N570-N574 VanDerWaalsContact O-CB 3.29Å; N570-N574 WeakPolarHBondContact O-CB 3.28Å; N570-N574 PolarHBondContact O-N 3.11Å; N570-N574 PolarHBondContact O-ND2 3.13Å; N570-N574 VanDerWaalsContact O-ND2 3.13Å; E571-N574 PolarHBondContact O-N 3Å; V572-N574 PolarHBondContact O-N 3.01Å; N574-M577 CarbonylContact O-C 3.52Å; N574-M577 PolarHBondContact O-N 2.86Å; N574-A578 VanDerWaalsContact O-CA 3.23Å; N574-A578 WeakPolarHBondContact O-CA 3.46Å; N574-A578 VanDerWaalsContact O-CB 3.23Å; N574-A578 WeakPolarHBondContact O-CB 3.37Å; N574-A578 PolarHBondContact O-N 3.42Å
575	G	64.3	Low	76	Confident	35 Å²	35	56.5 Å²	56.5	36%	0.361	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-40.7	175.5	0	0	0	0	0	112.5	E571 V572 Q573 A578	E571-G575 PolarHBondContact O-N 3.22Å; V572-G575 PolarHBondContact O-N 3.21Å; Q573-G575 VanDerWaalsContact C-N 3.32Å; Q573-G575 PolarHBondContact O-N 2.6Å; G575-A578 WeakPolarHBondContact O-CB 3.29Å
576	I	64.4	Low	76.1	Confident	49 Å²	49	56.1 Å²	56.1	25%	0.251	31%	0.314	S	S	.	.	H	α-helix	trans	-69.3	-43.9	175.8	-67.5	166.8	0	0	0	111.2	T352 L355 L356 V572 Q573 A578	T352-I576 HydrophobicContact CG2-CB 4.45Å; T352-I576 HydrophobicContact CG2-CG1 4.27Å; T352-I576 HydrophobicContact CG2-CG2 3.45Å; T352-I576 VanDerWaalsContact CG2-CG2 3.45Å; L355-I576 HydrophobicContact CB-CD1 3.73Å; L355-I576 HydrophobicContact CD1-CD1 4.5Å; L356-I576 HydrophobicContact CB-CD1 4.29Å; V572-I576 HydrophobicContact CG1-CD1 3.87Å; V572-I576 WeakPolarHBondContact O-CG1 3.4Å; V572-I576 PolarHBondContact O-N 3.34Å; Q573-I576 PolarHBondContact O-N 3.34Å; I576-A578 PolarHBondContact O-N 2.85Å
577	M	57.3	Low	76.5	Confident	109 Å²	109	57.2 Å²	57.2	54%	0.537	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	0.7	-179.1	-69.6	-174.1	160.6	0	0	113.4	L356 Q573 N574 D579	L356-M577 HydrophobicContact CD1-CE 4.1Å; L356-M577 HydrophobicContact CD2-CE 4.13Å; Q573-M577 WeakPolarHBondContact O-CB 3.4Å; Q573-M577 WeakPolarHBondContact O-CG 3.28Å; Q573-M577 PolarHBondContact O-N 2.93Å; N574-M577 CarbonylContact O-C 3.52Å; N574-M577 PolarHBondContact O-N 2.86Å; M577-D579 PolarHBondContact O-N 3.32Å
578	A	55.4	Low	77.5	Confident	33 Å²	33	51.4 Å²	51.4	27%	0.273	29%	0.29	S	S	.	.			trans	-60.6	110.7	-164.3	0	0	0	0	0	111.2	N574 G575 I576 M580	N574-A578 VanDerWaalsContact O-CA 3.23Å; N574-A578 WeakPolarHBondContact O-CA 3.46Å; N574-A578 VanDerWaalsContact O-CB 3.23Å; N574-A578 WeakPolarHBondContact O-CB 3.37Å; N574-A578 PolarHBondContact O-N 3.42Å; G575-A578 WeakPolarHBondContact O-CB 3.29Å; I576-A578 PolarHBondContact O-N 2.85Å; A578-M580 HydrophobicContact CB-CE 3.55Å; A578-M580 PolarHBondContact O-N 3.21Å
579	D	71.9	Confident	78.1	Confident	66 Å²	66	49 Å²	49	35%	0.353	27%	0.274	S	S	.	.			trans	-69.3	118.6	166.8	-164.6	-30.5	0	0	0	108.9	M577 V581 K648	M577-D579 PolarHBondContact O-N 3.32Å; D579-V581 VanDerWaalsContact OD1-CB 3.3Å; D579-V581 WeakPolarHBondContact OD1-CB 3.45Å; D579-V581 VanDerWaalsContact OD1-CG2 3.25Å; D579-V581 WeakPolarHBondContact OD1-CG2 3.32Å; D579-V581 PolarHBondContact OD1-N 3.39Å; D579-K648 WeakPolarHBondContact OD2-CD 3.13Å; D579-K648 WeakPolarHBondContact OD2-CE 3.47Å; D579-K648 IonicContact OD2-NZ 3.98Å; D579-K648 PolarHBondContact OD2-NZ 2.74Å
580	M	80.4	Confident	78.8	Confident	81 Å²	81	47.8 Å²	47.8	40%	0.399	27%	0.267	S	S	.	.			trans	-94.2	0.9	-176.8	-69.6	-69	163.7	0	0	113	A578 A582 F583	A578-M580 HydrophobicContact CB-CE 3.55Å; A578-M580 PolarHBondContact O-N 3.21Å; M580-A582 PolarHBondContact O-N 3.33Å; M580-A582 VanDerWaalsContact O-N 3.12Å; M580-F583 PolarHBondContact O-N 2.97Å; M580-F583 HydrophobicContact SD-CB 4.21Å; M580-F583 HydrophobicContact SD-CD1 3.69Å; M580-F583 HydrophobicContact SD-CE1 4.23Å; M580-F583 HydrophobicContact SD-CG 4.08Å
581	V	89.9	Confident	79.8	Confident	29 Å²	29	44.2 Å²	44.2	18%	0.176	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	118.3	178.8	175.9	0	0	0	0	109.6	D579 F583 A644 K648 I651 L659	D579-V581 VanDerWaalsContact OD1-CB 3.3Å; D579-V581 WeakPolarHBondContact OD1-CB 3.45Å; D579-V581 VanDerWaalsContact OD1-CG2 3.25Å; D579-V581 WeakPolarHBondContact OD1-CG2 3.32Å; D579-V581 PolarHBondContact OD1-N 3.39Å; V581-F583 PolarHBondContact O-N 3.08Å; V581-A644 WeakPolarHBondContact O-CB 3.5Å; V581-K648 HydrophobicContact CB-CB 4.29Å; V581-K648 HydrophobicContact CG1-CB 3.95Å; V581-I651 HydrophobicContact CG1-CD1 3.66Å; V581-L659 HydrophobicContact CG2-CD1 4.18Å; V581-L659 HydrophobicContact CG2-CD2 4.38Å
582	A	91	Very high	81	Confident	32 Å²	32	38.4 Å²	38.4	26%	0.264	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	27.1	-179.6	0	0	0	0	0	114.8	M580 Y643 M647	M580-A582 PolarHBondContact O-N 3.33Å; M580-A582 VanDerWaalsContact O-N 3.12Å; A582-Y643 HydrophobicContact CB-CD1 4.13Å; A582-Y643 HydrophobicContact CB-CE1 3.97Å; A582-M647 HydrophobicContact CB-CB 3.53Å; A582-M647 HydrophobicContact CB-CG 3.61Å
583	F	88.8	Confident	81.8	Confident	67 Å²	67	38.8 Å²	38.8	29%	0.294	23%	0.227	S	C	.	.			trans	-63.3	137.3	176.5	-176.9	-120.9	0	0	0	111.7	M580 V581 P585 N714	M580-F583 PolarHBondContact O-N 2.97Å; M580-F583 HydrophobicContact SD-CB 4.21Å; M580-F583 HydrophobicContact SD-CD1 3.69Å; M580-F583 HydrophobicContact SD-CE1 4.23Å; M580-F583 HydrophobicContact SD-CG 4.08Å; V581-F583 PolarHBondContact O-N 3.08Å; F583-P585 VanDerWaalsContact C-CD 3.48Å; F583-P585 HydrophobicContact CD1-CB 4.02Å; F583-P585 HydrophobicContact CD1-CG 4.41Å; F583-P585 HydrophobicContact CE1-CB 3.8Å; F583-P585 WeakPolarHBondContact O-CD 3.49Å; F583-N714 HydrophobicContact CE1-CB 4.14Å; F583-N714 WeakPolarHBondContact CE1-ND2 3.41Å; F583-N714 HydrophobicContact CZ-CB 4.15Å; F583-N714 WeakPolarHBondContact CZ-ND2 3.4Å
584	M	91.8	Very high	82.8	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.01	22%	0.221	C	C	.	.			trans	-107.6	81.2	-179.7	-61	-176.2	82.1	0	0	110.6	C586 I590 A638 K640 Y643 Y917	M584-C586 PolarHBondContact O-N 2.69Å; M584-C586 VanDerWaalsContact O-N 3.12Å; M584-I590 HydrophobicContact CE-CD1 3.95Å; M584-I590 HydrophobicContact CE-CG1 3.99Å; M584-A638 HydrophobicContact CE-CB 4.14Å; M584-A638 HydrophobicContact SD-CB 3.81Å; M584-K640 HydrophobicContact CB-CD 4.01Å; M584-K640 HydrophobicContact CB-CG 3.95Å; M584-K640 WeakPolarHBondContact O-CD 3.28Å; M584-K640 WeakPolarHBondContact O-CE 3.4Å; M584-K640 PolarHBondContact O-NZ 3.46Å; M584-K640 HydrophobicContact SD-CG 4.23Å; M584-Y643 HydrophobicContact CG-CD1 4.23Å; M584-Y643 HydrophobicContact SD-CD1 4Å; M584-Y643 HydrophobicContact SD-CG 4.04Å; M584-Y917 HydrophobicContact CB-CE2 4.37Å; M584-Y917 HydrophobicContact CE-CD2 3.84Å; M584-Y917 HydrophobicContact CE-CE2 3.68Å; M584-Y917 HydrophobicContact CG-CE2 4.44Å
585	P	85.2	Confident	84.5	Confident	24 Å²	24	33.4 Å²	33.4	16%	0.156	20%	0.198	C	C	.	.	S	Bend	trans	-67.2	-18.8	-171.9	25.9	-36.9	0	0	0	114.4	F583 P713 R743 Y917	F583-P585 VanDerWaalsContact C-CD 3.48Å; F583-P585 HydrophobicContact CD1-CB 4.02Å; F583-P585 HydrophobicContact CD1-CG 4.41Å; F583-P585 HydrophobicContact CE1-CB 3.8Å; F583-P585 WeakPolarHBondContact O-CD 3.49Å; P585-P713 HydrophobicContact CB-CB 3.53Å; P585-P713 HydrophobicContact CB-CG 4.19Å; P585-P713 HydrophobicContact CG-CB 4.1Å; P585-P713 HydrophobicContact CG-CG 4.36Å; P585-R743 PolarHBondContact O-NH2 3.05Å; P585-R743 VanDerWaalsContact O-NH2 3.07Å; P585-Y917 HydrophobicContact CG-CE1 4.48Å
586	C	88	Confident	86	Confident	32 Å²	32	31.8 Å²	31.8	22%	0.216	18%	0.181	C	C	.	.	S	Bend	trans	-114.8	-116.9	-171.6	-163.7	0	0	0	0	109.9	M584 K640 T740 R743 Y848 Y917	M584-C586 PolarHBondContact O-N 2.69Å; M584-C586 VanDerWaalsContact O-N 3.12Å; C586-K640 WeakPolarHBondContact O-CE 3.5Å; C586-K640 PolarHBondContact O-NZ 2.63Å; C586-T740 PolarHBondContact SG-OG1 2.97Å; C586-T740 VanDerWaalsContact SG-OG1 3.42Å; C586-R743 PolarHBondContact O-NH2 2.95Å; C586-Y848 WeakPolarHBondContact O-CD2 3.37Å; C586-Y848 WeakPolarHBondContact O-CE2 3.25Å; C586-Y848 PolarHBondContact SG-OH 2.95Å; C586-Y917 WeakPolarHBondContact CA-OH 3.18Å; C586-Y917 WeakPolarHBondContact CB-OH 3.29Å; C586-Y917 PolarHBondContact N-OH 2.89Å
587	N	93	Very high	87.5	Confident	32 Å²	32	29.7 Å²	29.7	17%	0.171	17%	0.171	C	C	.	.			trans	-73.7	145.4	-177.1	67.3	85.1	0	0	0	112	S589 Y848	N587-S589 PolarHBondContact O-N 2.83Å; N587-S589 PolarHBondContact OD1-N 3.23Å; N587-S589 PolarHBondContact OD1-O 2.91Å; N587-S589 VanDerWaalsContact OD1-O 3.07Å; N587-S589 PolarHBondContact OD1-OG 3.23Å; N587-Y848 HydrophobicContact CB-CD1 4.36Å; N587-Y848 HydrophobicContact CB-CE1 3.7Å; N587-Y848 HydrophobicContact CB-CE2 4.42Å
588	P	95.5	Very high	89.4	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-82	49	175.4	35	-36.5	0	0	0	111.1	Q637 A638 K640 E838 E840 Y848	P588-Q637 HydrophobicContact CG-CG 4.44Å; P588-Q637 CarbonylContact O-C 3.51Å; P588-Q637 VanDerWaalsContact O-CA 3.3Å; P588-Q637 WeakPolarHBondContact O-CA 3.19Å; P588-Q637 WeakPolarHBondContact O-CG 3.33Å; P588-A638 PolarHBondContact O-N 3.16Å; P588-K640 HydrophobicContact CB-CD 4.36Å; P588-K640 HydrophobicContact CB-CG 3.94Å; P588-E838 HydrophobicContact CG-CB 4.02Å; P588-E840 HydrophobicContact CB-CB 4.46Å; P588-E840 HydrophobicContact CB-CG 4.38Å; P588-E840 HydrophobicContact CG-CG 4.29Å; P588-Y848 HydrophobicContact CG-CG 4.49Å
589	S	95.5	Very high	91.5	Very high	6 Å²	6	22.9 Å²	22.9	4%	0.042	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	151.1	-178.2	70.6	0	0	0	0	115.5	N587 R635 A636	N587-S589 PolarHBondContact O-N 2.83Å; N587-S589 PolarHBondContact OD1-N 3.23Å; N587-S589 PolarHBondContact OD1-O 2.91Å; N587-S589 VanDerWaalsContact OD1-O 3.07Å; N587-S589 PolarHBondContact OD1-OG 3.23Å; S589-R635 PolarHBondContact OG-NE 3.45Å; S589-R635 PolarHBondContact OG-NH2 2.86Å; S589-A636 CarbonylContact C-O 3.56Å; S589-A636 WeakPolarHBondContact CA-O 3.23Å; S589-A636 VanDerWaalsContact CB-O 3.26Å; S589-A636 WeakPolarHBondContact CB-O 2.95Å
590	I	97.8	Very high	92.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.5	175.3	-65.5	-66.1	0	0	0	108.9	M584 V599 M609 I613 A636 Y643 Y917 E918	M584-I590 HydrophobicContact CE-CD1 3.95Å; M584-I590 HydrophobicContact CE-CG1 3.99Å; I590-V599 HydrophobicContact CG2-CG1 4.22Å; I590-V599 HydrophobicContact CG2-CG2 3.6Å; I590-M609 HydrophobicContact CD1-CE 4.2Å; I590-M609 HydrophobicContact CG2-CG 4.36Å; I590-M609 HydrophobicContact CG2-SD 4.43Å; I590-I613 HydrophobicContact CB-CB 4.44Å; I590-I613 HydrophobicContact CB-CD1 3.98Å; I590-I613 HydrophobicContact CB-CG1 3.91Å; I590-I613 HydrophobicContact CG1-CD1 3.91Å; I590-I613 HydrophobicContact CG1-CG1 4.25Å; I590-I613 HydrophobicContact CG2-CB 4.34Å; I590-I613 HydrophobicContact CG2-CG1 4.23Å; I590-I613 HydrophobicContact CG2-CG2 4.35Å; I590-A636 PolarHBondContact N-O 2.77Å; I590-A636 PolarHBondContact O-N 2.93Å; I590-Y643 HydrophobicContact CG1-CE2 4.15Å; I590-Y917 HydrophobicContact CD1-CD2 3.95Å; I590-Y917 HydrophobicContact CD1-CG 4.35Å; I590-E918 HydrophobicContact CG2-CG 4.49Å
591	G	95.3	Very high	93.6	Very high	7 Å²	7	16.5 Å²	16.5	7%	0.072	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.4	-142.2	176.5	0	0	0	0	0	113.9	K595 E918	G591-K595 VanDerWaalsContact O-CB 3.28Å; G591-K595 WeakPolarHBondContact O-CB 3.37Å; G591-E918 PolarHBondContact N-OE1 2.82Å
592	G	92.7	Very high	94	Very high	3 Å²	3	15.4 Å²	15.4	3%	0.031	9%	0.092	C	C	.	.			trans	90	-170.9	-168.7	0	0	0	0	0	113.2	A594 K595 G596 A633 L634	G592-A594 PolarHBondContact O-N 2.76Å; G592-K595 PolarHBondContact O-N 2.78Å; G592-G596 PolarHBondContact O-N 3.35Å; G592-A633 WeakPolarHBondContact O-CB 3.28Å; G592-L634 PolarHBondContact N-O 3.43Å
593	P	90.5	Very high	94.3	Very high	67 Å²	67	14.1 Å²	14.1	44%	0.435	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	131.7	-173.1	-25	35.6	0	0	0	112.1	K595 L623	P593-K595 PolarHBondContact O-N 2.71Å; P593-L623 HydrophobicContact CG-CD1 4.47Å
594	A	91	Very high	94.8	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.008	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	-49.6	-170.7	0	0	0	0	0	115	G592 G596 V597 V598 Y949 L968 T970	G592-A594 PolarHBondContact O-N 2.76Å; A594-G596 PolarHBondContact O-N 3.32Å; A594-V597 VanDerWaalsContact O-CB 3.31Å; A594-V597 WeakPolarHBondContact O-CB 3.16Å; A594-V597 PolarHBondContact O-N 2.77Å; A594-V597 VanDerWaalsContact O-N 3.14Å; A594-V598 PolarHBondContact O-N 2.71Å; A594-Y949 HydrophobicContact CB-CD1 3.89Å; A594-Y949 HydrophobicContact CB-CE1 3.57Å; A594-L968 HydrophobicContact CB-CD2 4.44Å; A594-L968 HydrophobicContact CB-CG 4.02Å; A594-T970 HydrophobicContact CB-CG2 3.82Å
595	K	94.9	Very high	95.1	Very high	27 Å²	27	11 Å²	11	12%	0.117	7%	0.067	C	C	.	.	H	α-helix	trans	-61.3	-41.9	-179.2	-75	169.9	162.1	-125.6	0	113.5	G591 G592 P593 V597 V598 V599 E918	G591-K595 VanDerWaalsContact O-CB 3.28Å; G591-K595 WeakPolarHBondContact O-CB 3.37Å; G592-K595 PolarHBondContact O-N 2.78Å; P593-K595 PolarHBondContact O-N 2.71Å; K595-V597 PolarHBondContact O-N 3.25Å; K595-V598 WeakPolarHBondContact O-CA 3.32Å; K595-V598 WeakPolarHBondContact O-CB 3.3Å; K595-V598 PolarHBondContact O-N 3.01Å; K595-V599 WeakPolarHBondContact O-CG2 3.45Å; K595-V599 PolarHBondContact O-N 3.49Å; K595-E918 HydrophobicContact CB-CB 4.21Å; K595-E918 HydrophobicContact CB-CG 3.92Å; K595-E918 WeakPolarHBondContact CD-OE2 3.48Å; K595-E918 WeakPolarHBondContact CE-OE2 3.34Å; K595-E918 HydrophobicContact CG-CB 4.38Å; K595-E918 HydrophobicContact CG-CG 4.36Å; K595-E918 IonicContact NZ-OE1 2.89Å; K595-E918 IonicContact NZ-OE2 3.83Å; K595-E918 PolarHBondContact NZ-OE2 3.46Å
596	G	95.4	Very high	95.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.3	-27.1	176.8	0	0	0	0	0	112.9	G592 A594 R600	G592-G596 PolarHBondContact O-N 3.35Å; A594-G596 PolarHBondContact O-N 3.32Å; G596-R600 PolarHBondContact O-N 3.04Å
597	V	96.3	Very high	96	Very high	5 Å²	5	9.4 Å²	9.4	3%	0.03	6%	0.06	C	C	.	.	H	α-helix	trans	-67.6	-43.8	170.1	-173.3	0	0	0	0	109.8	A594 K595 V599 R600 E601 Y949 H981	A594-V597 VanDerWaalsContact O-CB 3.31Å; A594-V597 WeakPolarHBondContact O-CB 3.16Å; A594-V597 PolarHBondContact O-N 2.77Å; A594-V597 VanDerWaalsContact O-N 3.14Å; K595-V597 PolarHBondContact O-N 3.25Å; V597-V599 PolarHBondContact O-N 3Å; V597-R600 WeakPolarHBondContact O-CB 3.48Å; V597-R600 PolarHBondContact O-N 3.25Å; V597-E601 HydrophobicContact CG1-CG 4.35Å; V597-E601 VanDerWaalsContact O-CG 3.27Å; V597-E601 WeakPolarHBondContact O-CG 3.21Å; V597-E601 PolarHBondContact O-N 3.05Å; V597-Y949 HydrophobicContact CB-CD2 4.23Å; V597-Y949 HydrophobicContact CB-CE2 4.5Å; V597-Y949 HydrophobicContact CB-CG 4.36Å; V597-Y949 HydrophobicContact CG1-CD2 3.73Å; V597-Y949 HydrophobicContact CG1-CE2 4.13Å; V597-Y949 HydrophobicContact CG1-CG 4.22Å; V597-Y949 HydrophobicContact CG2-CE2 4.49Å; V597-H981 HydrophobicContact CG2-CB 4.13Å
598	V	97.7	Very high	96.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.8	-42.3	176.6	174.9	0	0	0	0	111.9	A594 K595 R600 E601 I602 E918 I950 L968	A594-V598 PolarHBondContact O-N 2.71Å; K595-V598 WeakPolarHBondContact O-CA 3.32Å; K595-V598 WeakPolarHBondContact O-CB 3.3Å; K595-V598 PolarHBondContact O-N 3.01Å; V598-R600 VanDerWaalsContact C-N 3.31Å; V598-R600 PolarHBondContact O-N 3.1Å; V598-E601 WeakPolarHBondContact O-CB 3.5Å; V598-E601 PolarHBondContact O-N 3.08Å; V598-E601 VanDerWaalsContact O-N 3.08Å; V598-I602 HydrophobicContact CG1-CD1 3.86Å; V598-I602 HydrophobicContact CG1-CG1 4.28Å; V598-I602 VanDerWaalsContact O-CG1 3.32Å; V598-I602 WeakPolarHBondContact O-CG1 3.49Å; V598-I602 PolarHBondContact O-N 3.34Å; V598-E918 HydrophobicContact CB-CB 4.38Å; V598-E918 HydrophobicContact CG1-CB 4.23Å; V598-E918 VanDerWaalsContact CG1-O 3.25Å; V598-E918 WeakPolarHBondContact CG1-O 3.38Å; V598-I950 HydrophobicContact CG1-CD1 4.25Å; V598-I950 HydrophobicContact CG1-CG1 3.77Å; V598-I950 HydrophobicContact CG2-CG1 4.4Å; V598-L968 HydrophobicContact CG2-CD2 3.34Å
599	V	98.5	Very high	96.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.5	-43.7	176.9	-178.3	0	0	0	0	111.2	I590 K595 V597 E601 I602 D603 M609 F766 E918	I590-V599 HydrophobicContact CG2-CG1 4.22Å; I590-V599 HydrophobicContact CG2-CG2 3.6Å; K595-V599 WeakPolarHBondContact O-CG2 3.45Å; K595-V599 PolarHBondContact O-N 3.49Å; V597-V599 PolarHBondContact O-N 3Å; V599-E601 VanDerWaalsContact C-N 3.33Å; V599-E601 PolarHBondContact O-N 2.62Å; V599-I602 PolarHBondContact O-N 3.03Å; V599-D603 PolarHBondContact O-N 2.9Å; V599-M609 HydrophobicContact CG1-CG 4.12Å; V599-M609 HydrophobicContact CG2-SD 4.03Å; V599-F766 HydrophobicContact CB-CD1 3.6Å; V599-F766 HydrophobicContact CB-CE1 3.8Å; V599-F766 HydrophobicContact CB-CG 4.38Å; V599-F766 HydrophobicContact CG1-CB 3.85Å; V599-F766 HydrophobicContact CG1-CD1 3.34Å; V599-F766 HydrophobicContact CG1-CD2 4.46Å; V599-F766 HydrophobicContact CG1-CE1 3.95Å; V599-F766 HydrophobicContact CG1-CG 3.64Å; V599-F766 HydrophobicContact CG2-CD1 4.44Å; V599-F766 HydrophobicContact CG2-CE1 4.23Å; V599-E918 HydrophobicContact CG2-CB 4.14Å; V599-E918 HydrophobicContact CG2-CG 3.55Å
600	R	97.8	Very high	96.4	Very high	13 Å²	13	11.3 Å²	11.3	5%	0.049	7%	0.068	C	C	.	.	H	α-helix	trans	-65.1	-34.6	174.2	-78.4	-84	-176.7	-176.6	18.9	113	G596 V597 V598 A604 H765 F766 S767 H981 A984	G596-R600 PolarHBondContact O-N 3.04Å; V597-R600 WeakPolarHBondContact O-CB 3.48Å; V597-R600 PolarHBondContact O-N 3.25Å; V598-R600 VanDerWaalsContact C-N 3.31Å; V598-R600 PolarHBondContact O-N 3.1Å; R600-A604 VanDerWaalsContact O-CB 3.23Å; R600-A604 WeakPolarHBondContact O-CB 3.11Å; R600-A604 PolarHBondContact O-N 2.93Å; R600-H765 PolarHBondContact NE-O 2.83Å; R600-H765 PolarHBondContact NH2-O 3.47Å; R600-F766 WeakPolarHBondContact CD-O 3.31Å; R600-F766 HydrophobicContact CG-CD1 4.36Å; R600-F766 PolarHBondContact NE-O 2.86Å; R600-F766 PolarHBondContact NH1-O 2.81Å; R600-S767 VanDerWaalsContact NH1-C 3.32Å; R600-S767 PolarHBondContact NH1-O 3.11Å; R600-S767 VanDerWaalsContact NH1-O 3.13Å; R600-H981 PolarHBondContact NE-CE1 3.47Å; R600-A984 HydrophobicContact CB-CB 3.86Å
601	E	98.4	Very high	96.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-69.8	-39.7	175.5	-70.6	176.5	172.4	0	0	112	V597 V598 V599 A604 L605 G948 Y949 I950 A984 R987 L988	V597-E601 HydrophobicContact CG1-CG 4.35Å; V597-E601 VanDerWaalsContact O-CG 3.27Å; V597-E601 WeakPolarHBondContact O-CG 3.21Å; V597-E601 PolarHBondContact O-N 3.05Å; V598-E601 WeakPolarHBondContact O-CB 3.5Å; V598-E601 PolarHBondContact O-N 3.08Å; V598-E601 VanDerWaalsContact O-N 3.08Å; V599-E601 VanDerWaalsContact C-N 3.33Å; V599-E601 PolarHBondContact O-N 2.62Å; E601-A604 PolarHBondContact O-N 3.01Å; E601-L605 WeakPolarHBondContact O-CB 3.48Å; E601-L605 WeakPolarHBondContact O-CG 3.35Å; E601-L605 PolarHBondContact O-N 3.04Å; E601-G948 WeakPolarHBondContact OE1-CA 3.42Å; E601-Y949 VanDerWaalsContact CD-N 3.28Å; E601-Y949 PolarHBondContact OE1-N 3.34Å; E601-Y949 WeakPolarHBondContact OE2-CA 3.21Å; E601-Y949 PolarHBondContact OE2-N 3.26Å; E601-I950 HydrophobicContact CB-CD1 3.86Å; E601-I950 HydrophobicContact CB-CG1 4.45Å; E601-I950 PolarHBondContact OE2-N 3.34Å; E601-A984 HydrophobicContact CG-CB 4.05Å; E601-R987 IonicContact OE1-CZ 2.65Å; E601-R987 IonicContact OE1-NH1 3.71Å; E601-R987 PolarHBondContact OE1-NH1 3.34Å; E601-R987 IonicContact OE1-NH2 2.76Å; E601-R987 PolarHBondContact OE1-NH2 3.44Å; E601-L988 HydrophobicContact CB-CD1 3.62Å; E601-L988 HydrophobicContact CG-CD1 3.61Å
602	I	98.6	Very high	96.6	Very high	5 Å²	5	12.9 Å²	12.9	3%	0.026	7%	0.072	C	C	.	.	H	α-helix	trans	-59.3	-52	172.5	-69.8	163.9	0	0	0	109.5	V598 V599 A604 L605 G606 G607 M609 A921 L925 I950	V598-I602 HydrophobicContact CG1-CD1 3.86Å; V598-I602 HydrophobicContact CG1-CG1 4.28Å; V598-I602 VanDerWaalsContact O-CG1 3.32Å; V598-I602 WeakPolarHBondContact O-CG1 3.49Å; V598-I602 PolarHBondContact O-N 3.34Å; V599-I602 PolarHBondContact O-N 3.03Å; I602-A604 PolarHBondContact O-N 2.94Å; I602-L605 PolarHBondContact O-N 3.41Å; I602-G606 PolarHBondContact O-N 3.29Å; I602-G607 PolarHBondContact O-N 2.92Å; I602-M609 HydrophobicContact CD1-CB 4.48Å; I602-M609 HydrophobicContact CD1-SD 4.01Å; I602-M609 HydrophobicContact CG2-CB 4.04Å; I602-A921 HydrophobicContact CD1-CB 3.64Å; I602-L925 HydrophobicContact CB-CD2 4.44Å; I602-L925 HydrophobicContact CG1-CD2 4.39Å; I602-L925 HydrophobicContact CG2-CD2 4.27Å; I602-I950 HydrophobicContact CG1-CD1 4.04Å
603	D	98.1	Very high	96.8	Very high	6 Å²	6	12.8 Å²	12.8	3%	0.032	7%	0.07	C	C	.	.	H	α-helix	trans	-59.6	-46.2	178.6	-179.2	81.6	0	0	0	112.1	V599 L605 G606 R611 S767 Y768	V599-D603 PolarHBondContact O-N 2.9Å; D603-L605 VanDerWaalsContact C-N 3.25Å; D603-L605 PolarHBondContact O-N 3.26Å; D603-G606 WeakPolarHBondContact O-CA 3.31Å; D603-G606 PolarHBondContact O-N 3.23Å; D603-R611 IonicContact OD1-NH1 3.5Å; D603-S767 VanDerWaalsContact CG-CA 3.46Å; D603-S767 WeakPolarHBondContact OD1-CA 3.43Å; D603-S767 WeakPolarHBondContact OD1-CB 3.3Å; D603-S767 PolarHBondContact OD1-OG 3.34Å; D603-S767 VanDerWaalsContact OD2-CA 3.31Å; D603-S767 WeakPolarHBondContact OD2-CA 3.32Å; D603-S767 PolarHBondContact OD2-OG 3.12Å; D603-Y768 VanDerWaalsContact OD2-CD2 3.28Å; D603-Y768 WeakPolarHBondContact OD2-CD2 3.39Å; D603-Y768 PolarHBondContact OD2-N 3.39Å
604	A	98.1	Very high	97.2	Very high	3 Å²	3	9.8 Å²	9.8	3%	0.025	5%	0.051	C	C	.	.	H	α-helix	trans	-61.9	-31.7	178.7	0	0	0	0	0	113.1	R600 E601 I602 G606 Y768 A984 L988 T989	R600-A604 VanDerWaalsContact O-CB 3.23Å; R600-A604 WeakPolarHBondContact O-CB 3.11Å; R600-A604 PolarHBondContact O-N 2.93Å; E601-A604 PolarHBondContact O-N 3.01Å; I602-A604 PolarHBondContact O-N 2.94Å; A604-G606 VanDerWaalsContact C-N 3.3Å; A604-Y768 HydrophobicContact CB-CE2 4.33Å; A604-A984 HydrophobicContact CB-CB 4.17Å; A604-L988 HydrophobicContact CB-CB 3.99Å; A604-T989 VanDerWaalsContact O-CA 3.24Å; A604-T989 WeakPolarHBondContact O-CA 3.23Å; A604-T989 PolarHBondContact O-OG1 3.35Å
605	L	98.1	Very high	97.5	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-79.4	-10.7	174.2	-74.4	169.1	0	0	0	113.3	E601 I602 D603 L925 M926 I950 L988 I991 L997	E601-L605 WeakPolarHBondContact O-CB 3.48Å; E601-L605 WeakPolarHBondContact O-CG 3.35Å; E601-L605 PolarHBondContact O-N 3.04Å; I602-L605 PolarHBondContact O-N 3.41Å; D603-L605 VanDerWaalsContact C-N 3.25Å; D603-L605 PolarHBondContact O-N 3.26Å; L605-L925 HydrophobicContact CB-CD2 3.88Å; L605-L925 HydrophobicContact CD1-CD2 4Å; L605-M926 HydrophobicContact CD1-CE 4.13Å; L605-I950 HydrophobicContact CD1-CD1 4.4Å; L605-L988 HydrophobicContact CD1-CD1 4.33Å; L605-L988 HydrophobicContact CD2-CB 3.98Å; L605-L988 HydrophobicContact CG-CB 4.06Å; L605-L988 HydrophobicContact CG-CD1 4.16Å; L605-I991 HydrophobicContact CD2-CB 4.41Å; L605-I991 HydrophobicContact CD2-CG2 4.23Å; L605-L997 VanDerWaalsContact O-CB 3.22Å; L605-L997 WeakPolarHBondContact O-CB 3.47Å
606	G	96.6	Very high	97.6	Very high	12 Å²	12	14.2 Å²	14.2	12%	0.124	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.3	10	179.9	0	0	0	0	0	115.3	I602 D603 A604 R611	I602-G606 PolarHBondContact O-N 3.29Å; D603-G606 WeakPolarHBondContact O-CA 3.31Å; D603-G606 PolarHBondContact O-N 3.23Å; A604-G606 VanDerWaalsContact C-N 3.3Å; G606-R611 PolarHBondContact O-NH2 3.33Å
607	G	97	Very high	97.7	Very high	10 Å²	10	14.7 Å²	14.7	10%	0.103	7%	0.073	C	C	.	.			trans	-82.8	158.5	178.4	0	0	0	0	0	114.7	I602 R611	I602-G607 PolarHBondContact O-N 2.92Å; G607-R611 PolarHBondContact O-NH2 3.02Å
608	E	96.8	Very high	97.8	Very high	60 Å²	60	14.5 Å²	14.5	28%	0.28	7%	0.071	S	C	.	.	S	Bend	trans	-82	-18.8	-168.5	-71.1	-53.5	130.5	0	0	116.4	G610 R611 N612 M647 T650	E608-G610 VanDerWaalsContact C-N 3.26Å; E608-G610 PolarHBondContact O-N 2.9Å; E608-G610 VanDerWaalsContact O-N 3.12Å; E608-R611 PolarHBondContact O-N 3.46Å; E608-R611 VanDerWaalsContact O-N 3.08Å; E608-R611 IonicContact OE1-CZ 3.68Å; E608-R611 VanDerWaalsContact OE1-CZ 3.32Å; E608-R611 IonicContact OE1-NE 3.46Å; E608-R611 PolarHBondContact OE1-NE 2.75Å; E608-R611 VanDerWaalsContact OE1-NE 3.15Å; E608-R611 IonicContact OE1-NH2 3.55Å; E608-R611 PolarHBondContact OE1-NH2 3.25Å; E608-R611 IonicContact OE2-CZ 2.76Å; E608-R611 IonicContact OE2-NE 2.72Å; E608-R611 PolarHBondContact OE2-NE 3.1Å; E608-R611 IonicContact OE2-NH2 2.66Å; E608-N612 PolarHBondContact O-N 3.22Å; E608-M647 HydrophobicContact CB-CE 4.08Å; E608-M647 HydrophobicContact CB-SD 4.1Å; E608-T650 HydrophobicContact CG-CG2 4.01Å
609	M	98.1	Very high	97.8	Very high	18 Å²	18	14.7 Å²	14.7	9%	0.089	7%	0.072	C	C	.	.	H	α-helix	trans	-55.6	-39.5	-169.6	179.1	170.4	-91.6	0	0	113.4	I590 V599 I602 I613 E918 A921	I590-M609 HydrophobicContact CD1-CE 4.2Å; I590-M609 HydrophobicContact CG2-CG 4.36Å; I590-M609 HydrophobicContact CG2-SD 4.43Å; V599-M609 HydrophobicContact CG1-CG 4.12Å; V599-M609 HydrophobicContact CG2-SD 4.03Å; I602-M609 HydrophobicContact CD1-CB 4.48Å; I602-M609 HydrophobicContact CD1-SD 4.01Å; I602-M609 HydrophobicContact CG2-CB 4.04Å; M609-I613 VanDerWaalsContact O-CG2 3.32Å; M609-I613 WeakPolarHBondContact O-CG2 3.37Å; M609-I613 PolarHBondContact O-N 2.79Å; M609-E918 HydrophobicContact SD-CB 4.4Å; M609-E918 HydrophobicContact SD-CG 4.27Å; M609-A921 HydrophobicContact CE-CB 3.38Å; M609-A921 HydrophobicContact SD-CB 3.78Å
610	G	97.7	Very high	97.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-69.4	-41.4	178.8	0	0	0	0	0	113.4	E608 I613 D614	E608-G610 VanDerWaalsContact C-N 3.26Å; E608-G610 PolarHBondContact O-N 2.9Å; E608-G610 VanDerWaalsContact O-N 3.12Å; G610-I613 VanDerWaalsContact O-CG2 3.28Å; G610-I613 WeakPolarHBondContact O-CG2 3.47Å; G610-D614 PolarHBondContact O-N 3.42Å
611	R	97.3	Very high	97.6	Very high	39 Å²	39	17.8 Å²	17.8	15%	0.147	8%	0.084	C	C	.	.	H	α-helix	trans	-66.9	-42.3	175.5	-71.1	-174.1	-82.1	-90.9	0.7	111.8	D603 G606 G607 E608 D614 K615	D603-R611 IonicContact OD1-NH1 3.5Å; G606-R611 PolarHBondContact O-NH2 3.33Å; G607-R611 PolarHBondContact O-NH2 3.02Å; E608-R611 PolarHBondContact O-N 3.46Å; E608-R611 VanDerWaalsContact O-N 3.08Å; E608-R611 IonicContact OE1-CZ 3.68Å; E608-R611 VanDerWaalsContact OE1-CZ 3.32Å; E608-R611 IonicContact OE1-NE 3.46Å; E608-R611 PolarHBondContact OE1-NE 2.75Å; E608-R611 VanDerWaalsContact OE1-NE 3.15Å; E608-R611 IonicContact OE1-NH2 3.55Å; E608-R611 PolarHBondContact OE1-NH2 3.25Å; E608-R611 IonicContact OE2-CZ 2.76Å; E608-R611 IonicContact OE2-NE 2.72Å; E608-R611 PolarHBondContact OE2-NE 3.1Å; E608-R611 IonicContact OE2-NH2 2.66Å; R611-D614 PolarHBondContact O-N 3.08Å; R611-K615 WeakPolarHBondContact O-CG 3.31Å; R611-K615 PolarHBondContact O-N 3.36Å
612	N	98.2	Very high	97.4	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.011	9%	0.091	C	C	.	.	H	α-helix	trans	-65.2	-46	-178.3	-162.9	65.8	0	0	0	112.3	E608 D614 K615 T616 Y643 E646 M647	E608-N612 PolarHBondContact O-N 3.22Å; N612-D614 VanDerWaalsContact C-N 3.3Å; N612-D614 PolarHBondContact O-N 2.75Å; N612-K615 PolarHBondContact O-N 3.17Å; N612-T616 PolarHBondContact O-N 2.86Å; N612-T616 PolarHBondContact O-OG1 3.36Å; N612-Y643 HydrophobicContact CB-CE2 4.16Å; N612-Y643 WeakPolarHBondContact ND2-CD2 3.28Å; N612-Y643 WeakPolarHBondContact ND2-CE2 3.39Å; N612-Y643 PolarHBondContact ND2-O 3.32Å; N612-E646 WeakPolarHBondContact OD1-CB 3.29Å; N612-E646 WeakPolarHBondContact OD1-CG 3.32Å; N612-M647 HydrophobicContact CB-CE 3.44Å; N612-M647 VanDerWaalsContact CB-CE 3.44Å; N612-M647 WeakPolarHBondContact OD1-CA 3.33Å; N612-M647 PolarHBondContact OD1-N 3.32Å; N612-M647 VanDerWaalsContact OD1-N 3.13Å
613	I	98.2	Very high	97.1	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65.7	-35.3	179.2	-171.6	61.1	0	0	0	112	I590 M609 G610 K615 T616 Y617 A636 A638 Y643 F766	I590-I613 HydrophobicContact CB-CB 4.44Å; I590-I613 HydrophobicContact CB-CD1 3.98Å; I590-I613 HydrophobicContact CB-CG1 3.91Å; I590-I613 HydrophobicContact CG1-CD1 3.91Å; I590-I613 HydrophobicContact CG1-CG1 4.25Å; I590-I613 HydrophobicContact CG2-CB 4.34Å; I590-I613 HydrophobicContact CG2-CG1 4.23Å; I590-I613 HydrophobicContact CG2-CG2 4.35Å; M609-I613 VanDerWaalsContact O-CG2 3.32Å; M609-I613 WeakPolarHBondContact O-CG2 3.37Å; M609-I613 PolarHBondContact O-N 2.79Å; G610-I613 VanDerWaalsContact O-CG2 3.28Å; G610-I613 WeakPolarHBondContact O-CG2 3.47Å; I613-K615 PolarHBondContact O-N 2.79Å; I613-T616 PolarHBondContact O-N 2.86Å; I613-T616 VanDerWaalsContact O-N 3.14Å; I613-Y617 WeakPolarHBondContact O-CB 3.47Å; I613-Y617 WeakPolarHBondContact O-CD1 3.28Å; I613-Y617 PolarHBondContact O-N 2.86Å; I613-A636 HydrophobicContact CD1-CB 3.75Å; I613-A636 HydrophobicContact CG1-CB 3.36Å; I613-A638 HydrophobicContact CD1-CB 3.65Å; I613-Y643 HydrophobicContact CB-CD2 4.47Å; I613-Y643 HydrophobicContact CB-CE2 3.96Å; I613-Y643 HydrophobicContact CD1-CD2 3.98Å; I613-Y643 HydrophobicContact CD1-CE2 4.13Å; I613-F766 HydrophobicContact CG1-CD2 4.4Å; I613-F766 HydrophobicContact CG2-CB 3.85Å; I613-F766 HydrophobicContact CG2-CD2 3.44Å; I613-F766 VanDerWaalsContact CG2-CD2 3.44Å; I613-F766 HydrophobicContact CG2-CE2 4.26Å; I613-F766 HydrophobicContact CG2-CG 3.91Å
614	D	98.3	Very high	96.8	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-62.8	-26.3	177.7	-77.8	-16.5	0	0	0	113.1	G610 R611 N612 Y617 H765 F766 S767 T770	G610-D614 PolarHBondContact O-N 3.42Å; R611-D614 PolarHBondContact O-N 3.08Å; N612-D614 VanDerWaalsContact C-N 3.3Å; N612-D614 PolarHBondContact O-N 2.75Å; D614-Y617 VanDerWaalsContact O-CD1 3.29Å; D614-Y617 WeakPolarHBondContact O-CD1 3.39Å; D614-Y617 WeakPolarHBondContact O-CE1 3.42Å; D614-H765 WeakPolarHBondContact OD1-CA 3.4Å; D614-H765 IonicContact OD1-ND1 2.76Å; D614-H765 WeakPolarHBondContact OD2-CB 3.49Å; D614-H765 IonicContact OD2-CG 2.73Å; D614-H765 IonicContact OD2-ND1 3.12Å; D614-F766 PolarHBondContact OD1-N 3.13Å; D614-F766 PolarHBondContact OD2-N 3.35Å; D614-S767 VanDerWaalsContact OD2-CB 3.29Å; D614-S767 WeakPolarHBondContact OD2-CB 3.07Å; D614-S767 PolarHBondContact OD2-N 2.9Å; D614-T770 HydrophobicContact CB-CG2 4.08Å; D614-T770 WeakPolarHBondContact OD2-CB 3.38Å; D614-T770 PolarHBondContact OD2-OG1 3.26Å
615	K	97.2	Very high	96.2	Very high	112 Å²	112	27.3 Å²	27.3	49%	0.487	14%	0.137	S	C	.	.	H	α-helix	trans	-84.2	-22	176.6	-65.2	171.4	-177.5	174.2	0	113.6	R611 N612 I613 E646	R611-K615 WeakPolarHBondContact O-CG 3.31Å; R611-K615 PolarHBondContact O-N 3.36Å; N612-K615 PolarHBondContact O-N 3.17Å; I613-K615 PolarHBondContact O-N 2.79Å; K615-E646 HydrophobicContact CB-CG 4.4Å; K615-E646 HydrophobicContact CD-CG 3.76Å; K615-E646 WeakPolarHBondContact CD-OE1 3.39Å; K615-E646 WeakPolarHBondContact CE-OE1 3.32Å; K615-E646 IonicContact NZ-OE1 3.7Å; K615-E646 PolarHBondContact NZ-OE1 3.21Å
616	T	97.3	Very high	95.5	Very high	10 Å²	10	31.1 Å²	31.1	6%	0.061	18%	0.176	C	C	.	.	H	α-helix	trans	-125.8	-0.1	-160.8	56.3	0	0	0	0	114.1	N612 I613 D639 A642 Y643 E646	N612-T616 PolarHBondContact O-N 2.86Å; N612-T616 PolarHBondContact O-OG1 3.36Å; I613-T616 PolarHBondContact O-N 2.86Å; I613-T616 VanDerWaalsContact O-N 3.14Å; T616-D639 WeakPolarHBondContact O-CB 3.18Å; T616-D639 PolarHBondContact O-N 3.14Å; T616-A642 HydrophobicContact CG2-CB 4.03Å; T616-A642 WeakPolarHBondContact CG2-O 3.29Å; T616-Y643 WeakPolarHBondContact OG1-CD2 3.27Å; T616-E646 HydrophobicContact CG2-CB 3.77Å; T616-E646 HydrophobicContact CG2-CG 4.22Å
617	Y	97.7	Very high	95	Very high	10 Å²	10	36.8 Å²	36.8	4%	0.039	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	150.5	176.4	77.3	-81.1	0	0	0	113	I613 D614 M620 Q637 Y775 L776	I613-Y617 WeakPolarHBondContact O-CB 3.47Å; I613-Y617 WeakPolarHBondContact O-CD1 3.28Å; I613-Y617 PolarHBondContact O-N 2.86Å; D614-Y617 VanDerWaalsContact O-CD1 3.29Å; D614-Y617 WeakPolarHBondContact O-CD1 3.39Å; D614-Y617 WeakPolarHBondContact O-CE1 3.42Å; Y617-M620 HydrophobicContact CD1-CE 3.68Å; Y617-M620 HydrophobicContact CD2-CB 3.86Å; Y617-M620 HydrophobicContact CD2-CE 3.84Å; Y617-M620 HydrophobicContact CE1-CE 3.91Å; Y617-M620 HydrophobicContact CE2-CB 3.67Å; Y617-M620 HydrophobicContact CE2-CE 4.05Å; Y617-M620 HydrophobicContact CG-CE 3.62Å; Y617-Q637 CarbonylContact C-O 3.55Å; Y617-Q637 VanDerWaalsContact CA-O 3.27Å; Y617-Q637 WeakPolarHBondContact CA-O 3.44Å; Y617-Q637 WeakPolarHBondContact CB-O 3.24Å; Y617-Y775 WeakPolarHBondContact OH-CA 3.45Å; Y617-Y775 WeakPolarHBondContact OH-CD2 3.25Å; Y617-L776 HydrophobicContact CD2-CD2 4.22Å; Y617-L776 HydrophobicContact CE1-CB 4.49Å; Y617-L776 HydrophobicContact CE2-CB 3.69Å; Y617-L776 HydrophobicContact CE2-CD2 3.9Å; Y617-L776 HydrophobicContact CE2-CG 4.49Å; Y617-L776 VanDerWaalsContact OH-CB 3.29Å; Y617-L776 WeakPolarHBondContact OH-CB 3.47Å; Y617-L776 PolarHBondContact OH-N 3.34Å
618	I	97.7	Very high	94.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-21	171	62.2	176.1	0	0	0	112.1	Q637 D639 Q779 I780 P839 R842	I618-Q637 HydrophobicContact CD1-CG 4.1Å; I618-Q637 HydrophobicContact CG1-CB 4.13Å; I618-Q637 HydrophobicContact CG1-CG 3.99Å; I618-Q637 PolarHBondContact N-O 3.23Å; I618-D639 HydrophobicContact CG2-CB 3.84Å; I618-Q779 CarbonylContact O-C 3.54Å; I618-Q779 VanDerWaalsContact O-CA 3.28Å; I618-Q779 WeakPolarHBondContact O-CA 3.39Å; I618-Q779 WeakPolarHBondContact O-CB 3.04Å; I618-I780 HydrophobicContact CB-CB 4.36Å; I618-I780 HydrophobicContact CB-CD1 4.37Å; I618-I780 HydrophobicContact CB-CG1 4.46Å; I618-I780 HydrophobicContact CD1-CB 4.44Å; I618-I780 PolarHBondContact O-N 3.35Å; I618-P839 HydrophobicContact CD1-CB 4.13Å; I618-P839 WeakPolarHBondContact CD1-O 3.37Å; I618-R842 HydrophobicContact CG2-CG 3.59Å
619	Q	97.4	Very high	93.9	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.023	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	142.7	174.7	-161.2	-161.4	125.9	0	0	111.1	A636 Q637 Q779 I780 P781	Q619-A636 CarbonylContact O-C 3.57Å; Q619-A636 VanDerWaalsContact O-CA 3.29Å; Q619-A636 WeakPolarHBondContact O-CA 3.27Å; Q619-Q637 HydrophobicContact CB-CB 3.9Å; Q619-Q637 PolarHBondContact N-O 2.78Å; Q619-Q637 PolarHBondContact O-N 2.92Å; Q619-Q779 VanDerWaalsContact CA-OE1 3.3Å; Q619-Q779 HydrophobicContact CG-CB 4.5Å; Q619-I780 WeakPolarHBondContact CB-O 3.47Å; Q619-I780 WeakPolarHBondContact CG-O 3.34Å; Q619-I780 PolarHBondContact NE2-O 2.87Å; Q619-P781 VanDerWaalsContact NE2-C 3.33Å
620	M	96.7	Very high	93.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.1	177.2	-168.3	74.3	64.3	0	0	109.9	Y617 L634 A636 G759 D760 N764 F766 Y775 Q779	Y617-M620 HydrophobicContact CD1-CE 3.68Å; Y617-M620 HydrophobicContact CD2-CB 3.86Å; Y617-M620 HydrophobicContact CD2-CE 3.84Å; Y617-M620 HydrophobicContact CE1-CE 3.91Å; Y617-M620 HydrophobicContact CE2-CB 3.67Å; Y617-M620 HydrophobicContact CE2-CE 4.05Å; Y617-M620 HydrophobicContact CG-CE 3.62Å; M620-L634 HydrophobicContact CG-CD1 3.73Å; M620-L634 HydrophobicContact CG-CD2 4.27Å; M620-L634 HydrophobicContact CG-CG 4.12Å; M620-L634 HydrophobicContact SD-CD1 3.86Å; M620-L634 HydrophobicContact SD-CD2 3.57Å; M620-L634 VanDerWaalsContact SD-CD2 3.57Å; M620-L634 HydrophobicContact SD-CG 3.54Å; M620-L634 VanDerWaalsContact SD-CG 3.54Å; M620-A636 HydrophobicContact CE-CB 3.74Å; M620-A636 HydrophobicContact SD-CB 3.66Å; M620-G759 CarbonylContact O-C 3.49Å; M620-G759 WeakPolarHBondContact O-CA 3.42Å; M620-D760 PolarHBondContact O-N 3.01Å; M620-N764 HydrophobicContact CG-CB 4.32Å; M620-N764 WeakPolarHBondContact CG-O 3.48Å; M620-F766 HydrophobicContact CE-CD2 4.35Å; M620-F766 HydrophobicContact SD-CD2 4.18Å; M620-F766 HydrophobicContact SD-CE2 3.95Å; M620-Y775 HydrophobicContact CB-CE2 3.98Å; M620-Y775 HydrophobicContact CG-CE2 4.1Å; M620-Q779 PolarHBondContact O-OE1 3.35Å
621	R	95.1	Very high	92.9	Very high	78 Å²	78	37 Å²	37	29%	0.294	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	132.1	180	-167.3	173.7	178.9	-175.4	4	113.1	L623 R635	R621-L623 HydrophobicContact CG-CD2 4.25Å; R621-R635 PolarHBondContact N-O 3.24Å; R621-R635 PolarHBondContact O-N 3.47Å
622	M	94.6	Very high	92.6	Very high	30 Å²	30	38.8 Å²	38.8	15%	0.148	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	117.5	170.2	-172.3	61.3	72.2	0	0	110	T625 R632 A633 L634 D760	M622-T625 HydrophobicContact CB-CG2 3.88Å; M622-T625 HydrophobicContact CG-CG2 3.66Å; M622-T625 WeakPolarHBondContact O-CG2 3.2Å; M622-R632 HydrophobicContact SD-CB 4.12Å; M622-A633 VanDerWaalsContact SD-C 3.52Å; M622-L634 HydrophobicContact CB-CD1 4.44Å; M622-L634 HydrophobicContact CE-CB 4.23Å; M622-L634 HydrophobicContact CE-CD1 4.02Å; M622-L634 HydrophobicContact SD-CB 4.47Å; M622-D760 WeakPolarHBondContact CB-OD2 3.27Å; M622-D760 PolarHBondContact N-OD2 2.98Å
623	L	93.4	Very high	92.3	Very high	43 Å²	43	38.7 Å²	38.7	23%	0.225	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	154.5	179.8	-56.2	-179.9	0	0	0	111.4	P593 R621 T625 R632 A633 R635	P593-L623 HydrophobicContact CG-CD1 4.47Å; R621-L623 HydrophobicContact CG-CD2 4.25Å; L623-T625 VanDerWaalsContact C-N 3.3Å; L623-T625 PolarHBondContact O-N 2.85Å; L623-R632 WeakPolarHBondContact O-CA 3.5Å; L623-A633 WeakPolarHBondContact CB-O 3.31Å; L623-A633 PolarHBondContact N-O 3.22Å; L623-A633 PolarHBondContact O-N 3.33Å; L623-R635 HydrophobicContact CD1-CB 3.92Å; L623-R635 HydrophobicContact CG-CB 4.25Å
624	N	90.9	Very high	92.2	Very high	57 Å²	57	38.7 Å²	38.7	31%	0.305	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	32.2	179.5	-61.1	-55.2	0	0	0	114.9	G626 K627 V631	N624-G626 VanDerWaalsContact C-N 3.25Å; N624-G626 PolarHBondContact O-N 3.13Å; N624-K627 HydrophobicContact CB-CB 4.4Å; N624-K627 HydrophobicContact CB-CD 4.34Å; N624-K627 PolarHBondContact O-N 2.87Å; N624-V631 HydrophobicContact CB-CG2 4.13Å; N624-V631 WeakPolarHBondContact CB-O 3.3Å; N624-V631 PolarHBondContact ND2-O 3.5Å
625	T	86	Confident	92.2	Very high	83 Å²	83	40.1 Å²	40.1	51%	0.509	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-33.8	178.7	50.2	0	0	0	0	113.6	M622 L623 K627 R632	M622-T625 HydrophobicContact CB-CG2 3.88Å; M622-T625 HydrophobicContact CG-CG2 3.66Å; M622-T625 WeakPolarHBondContact O-CG2 3.2Å; L623-T625 VanDerWaalsContact C-N 3.3Å; L623-T625 PolarHBondContact O-N 2.85Å; T625-K627 PolarHBondContact O-N 3.36Å; T625-R632 PolarHBondContact O-NH2 3.48Å
626	G	83.6	Confident	92.2	Very high	81 Å²	81	34.8 Å²	34.8	84%	0.835	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-3.9	173.9	0	0	0	0	0	115.1	N624	N624-G626 VanDerWaalsContact C-N 3.25Å; N624-G626 PolarHBondContact O-N 3.13Å
627	K	85.9	Confident	92.2	Very high	130 Å²	130	34.4 Å²	34.4	57%	0.565	20%	0.196	S	C	*	.	S	Bend	trans	-110.2	170.1	173.7	-62.4	178	-176.7	165.6	0	110.1	N624 T625 V631 R632	N624-K627 HydrophobicContact CB-CB 4.4Å; N624-K627 HydrophobicContact CB-CD 4.34Å; N624-K627 PolarHBondContact O-N 2.87Å; T625-K627 PolarHBondContact O-N 3.36Å; K627-V631 HydrophobicContact CB-CG2 3.39Å; K627-V631 HydrophobicContact CD-CG2 3.9Å; K627-V631 HydrophobicContact CG-CG2 4.28Å; K627-R632 PolarHBondContact O-NE 2.88Å
628	G	85.1	Confident	92.2	Very high	33 Å²	33	33.9 Å²	33.9	34%	0.34	19%	0.194	S	C	.	.			trans	-62	162.2	178.8	0	0	0	0	0	113.5	A630 V631	G628-A630 PolarHBondContact O-N 2.87Å; G628-V631 WeakPolarHBondContact O-CG2 3.5Å; G628-V631 PolarHBondContact O-N 3.43Å
629	P	86.4	Confident	92.2	Very high	8 Å²	8	34.7 Å²	34.7	5%	0.052	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-60.8	-25.1	-172.5	25.5	-35.7	0	0	0	113.7	V631 R632 I1083 Y1087	P629-V631 PolarHBondContact O-N 2.83Å; P629-V631 VanDerWaalsContact O-N 3.1Å; P629-R632 PolarHBondContact O-N 2.83Å; P629-I1083 HydrophobicContact CB-CD1 3.78Å; P629-I1083 HydrophobicContact CB-CG1 4.28Å; P629-I1083 HydrophobicContact CG-CD1 4.24Å; P629-I1083 HydrophobicContact CG-CG1 4.21Å; P629-I1083 HydrophobicContact CG-CG2 4.09Å; P629-Y1087 HydrophobicContact CG-CD2 4.32Å; P629-Y1087 HydrophobicContact CG-CE2 3.79Å
630	A	86.8	Confident	92	Very high	20 Å²	20	35.6 Å²	35.6	17%	0.165	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-63.4	-13.8	179	0	0	0	0	0	115.7	G628 R976 L977	G628-A630 PolarHBondContact O-N 2.87Å; A630-R976 HydrophobicContact CB-CB 4.18Å; A630-L977 HydrophobicContact CB-CD2 3.91Å; A630-L977 HydrophobicContact CB-CG 4.23Å
631	V	87.1	Confident	91.7	Very high	31 Å²	31	42.2 Å²	42.2	19%	0.188	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-123.9	0.5	179.7	-62.5	0	0	0	0	113.5	N624 K627 G628 P629	N624-V631 HydrophobicContact CB-CG2 4.13Å; N624-V631 WeakPolarHBondContact CB-O 3.3Å; N624-V631 PolarHBondContact ND2-O 3.5Å; K627-V631 HydrophobicContact CB-CG2 3.39Å; K627-V631 HydrophobicContact CD-CG2 3.9Å; K627-V631 HydrophobicContact CG-CG2 4.28Å; G628-V631 WeakPolarHBondContact O-CG2 3.5Å; G628-V631 PolarHBondContact O-N 3.43Å; P629-V631 PolarHBondContact O-N 2.83Å; P629-V631 VanDerWaalsContact O-N 3.1Å
632	R	90.6	Very high	91.7	Very high	77 Å²	77	39.8 Å²	39.8	29%	0.291	23%	0.23	S	C	.	.			trans	-70.6	139.4	174	-68.4	-179.1	-174.8	178	-7	109.2	M622 L623 T625 K627 P629 E1079	M622-R632 HydrophobicContact SD-CB 4.12Å; L623-R632 WeakPolarHBondContact O-CA 3.5Å; T625-R632 PolarHBondContact O-NH2 3.48Å; K627-R632 PolarHBondContact O-NE 2.88Å; P629-R632 PolarHBondContact O-N 2.83Å; R632-E1079 IonicContact NH1-OE1 2.77Å
633	A	92.4	Very high	91.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	135	176	0	0	0	0	0	109.9	G592 M622 L623	G592-A633 WeakPolarHBondContact O-CB 3.28Å; M622-A633 VanDerWaalsContact SD-C 3.52Å; L623-A633 WeakPolarHBondContact CB-O 3.31Å; L623-A633 PolarHBondContact N-O 3.22Å; L623-A633 PolarHBondContact O-N 3.33Å
634	L	96.2	Very high	91.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	146	173.6	-164.4	64	0	0	0	110.2	G592 M620 M622 N764 H765 F766 H981	G592-L634 PolarHBondContact N-O 3.43Å; M620-L634 HydrophobicContact CG-CD1 3.73Å; M620-L634 HydrophobicContact CG-CD2 4.27Å; M620-L634 HydrophobicContact CG-CG 4.12Å; M620-L634 HydrophobicContact SD-CD1 3.86Å; M620-L634 HydrophobicContact SD-CD2 3.57Å; M620-L634 VanDerWaalsContact SD-CD2 3.57Å; M620-L634 HydrophobicContact SD-CG 3.54Å; M620-L634 VanDerWaalsContact SD-CG 3.54Å; M622-L634 HydrophobicContact CB-CD1 4.44Å; M622-L634 HydrophobicContact CE-CB 4.23Å; M622-L634 HydrophobicContact CE-CD1 4.02Å; M622-L634 HydrophobicContact SD-CB 4.47Å; L634-N764 HydrophobicContact CD1-CB 3.53Å; L634-N764 HydrophobicContact CD2-CB 4.11Å; L634-N764 HydrophobicContact CG-CB 4.5Å; L634-H765 VanDerWaalsContact CD2-C 3.48Å; L634-H765 WeakPolarHBondContact CD2-O 3.12Å; L634-F766 HydrophobicContact CB-CD1 4.5Å; L634-F766 HydrophobicContact CB-CE1 3.83Å; L634-F766 HydrophobicContact CB-CE2 4.37Å; L634-F766 HydrophobicContact CB-CZ 3.78Å; L634-F766 HydrophobicContact CD2-CD1 4.19Å; L634-F766 HydrophobicContact CD2-CD2 3.89Å; L634-F766 HydrophobicContact CD2-CE1 4.21Å; L634-F766 HydrophobicContact CD2-CE2 3.93Å; L634-F766 HydrophobicContact CD2-CG 4.05Å; L634-F766 HydrophobicContact CD2-CZ 4.11Å; L634-F766 HydrophobicContact CG-CD2 4.46Å; L634-F766 HydrophobicContact CG-CE1 4.28Å; L634-F766 HydrophobicContact CG-CE2 3.99Å; L634-F766 HydrophobicContact CG-CZ 3.91Å; L634-F766 WeakPolarHBondContact O-CZ 3.38Å; L634-H981 WeakPolarHBondContact CB-NE2 3.09Å; L634-H981 PolarHBondContact N-CD2 3.29Å; L634-H981 PolarHBondContact N-NE2 3Å
635	R	97.2	Very high	91.9	Very high	33 Å²	33	40.5 Å²	40.5	13%	0.125	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	129.6	170	-176.6	-176.5	179.9	-117.2	2.1	108.6	S589 R621 L623 E838 Q850	S589-R635 PolarHBondContact OG-NE 3.45Å; S589-R635 PolarHBondContact OG-NH2 2.86Å; R621-R635 PolarHBondContact N-O 3.24Å; R621-R635 PolarHBondContact O-N 3.47Å; L623-R635 HydrophobicContact CD1-CB 3.92Å; L623-R635 HydrophobicContact CG-CB 4.25Å; R635-E838 IonicContact CZ-OE1 3.93Å; R635-E838 IonicContact CZ-OE2 3.32Å; R635-E838 IonicContact NH1-OE1 3.15Å; R635-E838 PolarHBondContact NH1-OE1 2.81Å; R635-E838 IonicContact NH2-OE1 2.97Å; R635-E838 PolarHBondContact NH2-OE1 3.01Å; R635-E838 IonicContact NH2-OE2 3.85Å; R635-E838 PolarHBondContact NH2-OE2 3.44Å; R635-Q850 VanDerWaalsContact NH2-NE2 3.11Å
636	A	97.9	Very high	92.4	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133	169.1	0	0	0	0	0	109.6	S589 I590 I613 Q619 M620 F766	S589-A636 CarbonylContact C-O 3.56Å; S589-A636 WeakPolarHBondContact CA-O 3.23Å; S589-A636 VanDerWaalsContact CB-O 3.26Å; S589-A636 WeakPolarHBondContact CB-O 2.95Å; I590-A636 PolarHBondContact N-O 2.77Å; I590-A636 PolarHBondContact O-N 2.93Å; I613-A636 HydrophobicContact CD1-CB 3.75Å; I613-A636 HydrophobicContact CG1-CB 3.36Å; Q619-A636 CarbonylContact O-C 3.57Å; Q619-A636 VanDerWaalsContact O-CA 3.29Å; Q619-A636 WeakPolarHBondContact O-CA 3.27Å; M620-A636 HydrophobicContact CE-CB 3.74Å; M620-A636 HydrophobicContact SD-CB 3.66Å; A636-F766 HydrophobicContact CB-CD2 4.32Å; A636-F766 HydrophobicContact CB-CE2 3.69Å
637	Q	97.9	Very high	93	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.7	160.6	-167.6	175.8	-32.7	0	0	107.6	P588 Y617 I618 Q619 P839	P588-Q637 HydrophobicContact CG-CG 4.44Å; P588-Q637 CarbonylContact O-C 3.51Å; P588-Q637 VanDerWaalsContact O-CA 3.3Å; P588-Q637 WeakPolarHBondContact O-CA 3.19Å; P588-Q637 WeakPolarHBondContact O-CG 3.33Å; Y617-Q637 CarbonylContact C-O 3.55Å; Y617-Q637 VanDerWaalsContact CA-O 3.27Å; Y617-Q637 WeakPolarHBondContact CA-O 3.44Å; Y617-Q637 WeakPolarHBondContact CB-O 3.24Å; I618-Q637 HydrophobicContact CD1-CG 4.1Å; I618-Q637 HydrophobicContact CG1-CB 4.13Å; I618-Q637 HydrophobicContact CG1-CG 3.99Å; I618-Q637 PolarHBondContact N-O 3.23Å; Q619-Q637 HydrophobicContact CB-CB 3.9Å; Q619-Q637 PolarHBondContact N-O 2.78Å; Q619-Q637 PolarHBondContact O-N 2.92Å; Q637-P839 VanDerWaalsContact NE2-CD 3.29Å; Q637-P839 VanDerWaalsContact NE2-N 3.16Å; Q637-P839 PolarHBondContact NE2-O 2.72Å
638	A	97.5	Very high	93.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	146.9	-175.2	0	0	0	0	0	110.9	M584 P588 I613 K640	M584-A638 HydrophobicContact CE-CB 4.14Å; M584-A638 HydrophobicContact SD-CB 3.81Å; P588-A638 PolarHBondContact O-N 3.16Å; I613-A638 HydrophobicContact CD1-CB 3.65Å; A638-K640 PolarHBondContact O-N 3.2Å
639	D	97.5	Very high	93.8	Very high	17 Å²	17	35.3 Å²	35.3	9%	0.091	17%	0.173	C	C	.	.			trans	-74.6	113.7	150.8	-173.3	-55	0	0	0	107.6	T616 I618 H641 A642 Y643 G841 R842	T616-D639 WeakPolarHBondContact O-CB 3.18Å; T616-D639 PolarHBondContact O-N 3.14Å; I618-D639 HydrophobicContact CG2-CB 3.84Å; D639-H641 VanDerWaalsContact C-N 3.32Å; D639-H641 PolarHBondContact O-N 3.26Å; D639-H641 PolarHBondContact OD1-N 2.73Å; D639-H641 VanDerWaalsContact OD1-N 3.07Å; D639-A642 HydrophobicContact CB-CB 3.88Å; D639-A642 PolarHBondContact O-N 3.5Å; D639-A642 PolarHBondContact OD1-N 2.97Å; D639-Y643 VanDerWaalsContact O-CB 3.26Å; D639-Y643 WeakPolarHBondContact O-CB 3.1Å; D639-Y643 PolarHBondContact O-N 3.41Å; D639-G841 VanDerWaalsContact OD2-CA 3.25Å; D639-G841 WeakPolarHBondContact OD2-CA 3.18Å; D639-R842 PolarHBondContact OD2-N 3.42Å
640	K	93.4	Very high	94.3	Very high	24 Å²	24	36.1 Å²	36.1	10%	0.104	18%	0.177	C	C	.	.	H	α-helix	trans	-62.6	-39	-173.9	-72.8	-170.1	175.7	177.9	0	113.1	M584 C586 P588 A638 A644 E840	M584-K640 HydrophobicContact CB-CD 4.01Å; M584-K640 HydrophobicContact CB-CG 3.95Å; M584-K640 WeakPolarHBondContact O-CD 3.28Å; M584-K640 WeakPolarHBondContact O-CE 3.4Å; M584-K640 PolarHBondContact O-NZ 3.46Å; M584-K640 HydrophobicContact SD-CG 4.23Å; C586-K640 WeakPolarHBondContact O-CE 3.5Å; C586-K640 PolarHBondContact O-NZ 2.63Å; P588-K640 HydrophobicContact CB-CD 4.36Å; P588-K640 HydrophobicContact CB-CG 3.94Å; A638-K640 PolarHBondContact O-N 3.2Å; K640-A644 PolarHBondContact O-N 2.76Å; K640-E840 HydrophobicContact CD-CB 4.29Å; K640-E840 VanDerWaalsContact CD-OE2 3.3Å; K640-E840 WeakPolarHBondContact CD-OE2 3.16Å; K640-E840 VanDerWaalsContact CE-OE2 3.32Å; K640-E840 WeakPolarHBondContact CE-OE2 3.38Å; K640-E840 PolarHBondContact N-O 2.75Å; K640-E840 IonicContact NZ-OE1 3.6Å; K640-E840 PolarHBondContact NZ-OE1 2.91Å; K640-E840 IonicContact NZ-OE2 3.5Å; K640-E840 PolarHBondContact NZ-OE2 2.73Å
641	H	90.7	Very high	94.7	Very high	139 Å²	139	37.3 Å²	37.3	64%	0.644	18%	0.181	S	C	*	.	H	α-helix	trans	-70.6	-49.4	-178.3	-174.5	73	0	0	0	109.7	D639 Y643 A644 E645	D639-H641 VanDerWaalsContact C-N 3.32Å; D639-H641 PolarHBondContact O-N 3.26Å; D639-H641 PolarHBondContact OD1-N 2.73Å; D639-H641 VanDerWaalsContact OD1-N 3.07Å; H641-Y643 VanDerWaalsContact C-N 3.3Å; H641-Y643 PolarHBondContact O-N 2.89Å; H641-A644 PolarHBondContact O-N 2.84Å; H641-E645 IonicContact CD2-OE2 3.85Å; H641-E645 IonicContact NE2-OE2 3.85Å; H641-E645 WeakPolarHBondContact O-CB 3.42Å; H641-E645 PolarHBondContact O-N 3.5Å
642	A	94.6	Very high	94.9	Very high	27 Å²	27	41.1 Å²	41.1	22%	0.223	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-37.1	178.7	0	0	0	0	0	112.2	T616 D639 E645 E646	T616-A642 HydrophobicContact CG2-CB 4.03Å; T616-A642 WeakPolarHBondContact CG2-O 3.29Å; D639-A642 HydrophobicContact CB-CB 3.88Å; D639-A642 PolarHBondContact O-N 3.5Å; D639-A642 PolarHBondContact OD1-N 2.97Å; A642-E645 PolarHBondContact O-N 3.37Å; A642-E646 VanDerWaalsContact O-CB 3.28Å; A642-E646 WeakPolarHBondContact O-CB 3.4Å; A642-E646 PolarHBondContact O-N 2.94Å
643	Y	97	Very high	95.1	Very high	9 Å²	9	44.1 Å²	44.1	4%	0.035	21%	0.212	C	C	.	.	H	α-helix	trans	-60.5	-46.4	176.7	-172.5	-87.6	0	0	0	112.1	A582 M584 I590 N612 I613 T616 D639 H641 M647	A582-Y643 HydrophobicContact CB-CD1 4.13Å; A582-Y643 HydrophobicContact CB-CE1 3.97Å; M584-Y643 HydrophobicContact CG-CD1 4.23Å; M584-Y643 HydrophobicContact SD-CD1 4Å; M584-Y643 HydrophobicContact SD-CG 4.04Å; I590-Y643 HydrophobicContact CG1-CE2 4.15Å; N612-Y643 HydrophobicContact CB-CE2 4.16Å; N612-Y643 WeakPolarHBondContact ND2-CD2 3.28Å; N612-Y643 WeakPolarHBondContact ND2-CE2 3.39Å; N612-Y643 PolarHBondContact ND2-O 3.32Å; I613-Y643 HydrophobicContact CB-CD2 4.47Å; I613-Y643 HydrophobicContact CB-CE2 3.96Å; I613-Y643 HydrophobicContact CD1-CD2 3.98Å; I613-Y643 HydrophobicContact CD1-CE2 4.13Å; T616-Y643 WeakPolarHBondContact OG1-CD2 3.27Å; D639-Y643 VanDerWaalsContact O-CB 3.26Å; D639-Y643 WeakPolarHBondContact O-CB 3.1Å; D639-Y643 PolarHBondContact O-N 3.41Å; H641-Y643 VanDerWaalsContact C-N 3.3Å; H641-Y643 PolarHBondContact O-N 2.89Å; Y643-M647 WeakPolarHBondContact O-CB 3.26Å; Y643-M647 PolarHBondContact O-N 3.11Å
644	A	93.2	Very high	95.3	Very high	17 Å²	17	49 Å²	49	14%	0.14	23%	0.234	C	C	.	.	H	α-helix	trans	-66.7	-46.8	178.3	0	0	0	0	0	111.5	V581 K640 H641 M647 K648	V581-A644 WeakPolarHBondContact O-CB 3.5Å; K640-A644 PolarHBondContact O-N 2.76Å; H641-A644 PolarHBondContact O-N 2.84Å; A644-M647 PolarHBondContact O-N 3.44Å; A644-K648 WeakPolarHBondContact O-CB 3.42Å; A644-K648 PolarHBondContact O-N 2.96Å
645	E	92.3	Very high	95.2	Very high	119 Å²	119	56.5 Å²	56.5	56%	0.556	27%	0.269	S	S	*	.	H	α-helix	trans	-60.5	-48.9	179.8	-172.5	-177.7	-172.4	0	0	112.2	H641 A642 M647 K648 H649	H641-E645 IonicContact CD2-OE2 3.85Å; H641-E645 IonicContact NE2-OE2 3.85Å; H641-E645 WeakPolarHBondContact O-CB 3.42Å; H641-E645 PolarHBondContact O-N 3.5Å; A642-E645 PolarHBondContact O-N 3.37Å; E645-M647 PolarHBondContact O-N 3.22Å; E645-K648 PolarHBondContact O-N 3.35Å; E645-H649 WeakPolarHBondContact O-CB 3.19Å; E645-H649 PolarHBondContact O-N 3.11Å
646	E	96.4	Very high	94.9	Very high	51 Å²	51	64.8 Å²	64.8	24%	0.238	31%	0.306	C	S	.	.	H	α-helix	trans	-66.3	-37.9	-179.9	-178.8	62	-162.4	0	0	111.8	N612 K615 T616 A642 H649 T650	N612-E646 WeakPolarHBondContact OD1-CB 3.29Å; N612-E646 WeakPolarHBondContact OD1-CG 3.32Å; K615-E646 HydrophobicContact CB-CG 4.4Å; K615-E646 HydrophobicContact CD-CG 3.76Å; K615-E646 WeakPolarHBondContact CD-OE1 3.39Å; K615-E646 WeakPolarHBondContact CE-OE1 3.32Å; K615-E646 IonicContact NZ-OE1 3.7Å; K615-E646 PolarHBondContact NZ-OE1 3.21Å; T616-E646 HydrophobicContact CG2-CB 3.77Å; T616-E646 HydrophobicContact CG2-CG 4.22Å; A642-E646 VanDerWaalsContact O-CB 3.28Å; A642-E646 WeakPolarHBondContact O-CB 3.4Å; A642-E646 PolarHBondContact O-N 2.94Å; E646-H649 PolarHBondContact O-N 3.38Å; E646-T650 WeakPolarHBondContact O-CB 3.36Å; E646-T650 PolarHBondContact O-N 3.12Å; E646-T650 PolarHBondContact O-OG1 3.46Å
647	M	96.2	Very high	94.8	Very high	24 Å²	24	69.1 Å²	69.1	12%	0.118	33%	0.329	C	S	.	.	H	α-helix	trans	-69.1	-40.6	177.4	-172.9	61.7	76.7	0	0	111.1	A582 E608 N612 Y643 A644 E645 T650 I651	A582-M647 HydrophobicContact CB-CB 3.53Å; A582-M647 HydrophobicContact CB-CG 3.61Å; E608-M647 HydrophobicContact CB-CE 4.08Å; E608-M647 HydrophobicContact CB-SD 4.1Å; N612-M647 HydrophobicContact CB-CE 3.44Å; N612-M647 VanDerWaalsContact CB-CE 3.44Å; N612-M647 WeakPolarHBondContact OD1-CA 3.33Å; N612-M647 PolarHBondContact OD1-N 3.32Å; N612-M647 VanDerWaalsContact OD1-N 3.13Å; Y643-M647 WeakPolarHBondContact O-CB 3.26Å; Y643-M647 PolarHBondContact O-N 3.11Å; A644-M647 PolarHBondContact O-N 3.44Å; E645-M647 PolarHBondContact O-N 3.22Å; M647-T650 WeakPolarHBondContact O-CB 3.43Å; M647-T650 PolarHBondContact O-N 3.05Å; M647-I651 HydrophobicContact CG-CD1 4.04Å; M647-I651 WeakPolarHBondContact O-CG1 3.28Å; M647-I651 PolarHBondContact O-N 3.14Å
648	K	93.7	Very high	94.6	Very high	65 Å²	65	74.2 Å²	74.2	28%	0.283	36%	0.36	S	S	.	.	H	α-helix	trans	-58.4	-50.4	174.2	-178.5	-169.7	-178.6	168.1	0	110.8	D579 V581 A644 E645 T650 I651 E652 L659	D579-K648 WeakPolarHBondContact OD2-CD 3.13Å; D579-K648 WeakPolarHBondContact OD2-CE 3.47Å; D579-K648 IonicContact OD2-NZ 3.98Å; D579-K648 PolarHBondContact OD2-NZ 2.74Å; V581-K648 HydrophobicContact CB-CB 4.29Å; V581-K648 HydrophobicContact CG1-CB 3.95Å; A644-K648 WeakPolarHBondContact O-CB 3.42Å; A644-K648 PolarHBondContact O-N 2.96Å; E645-K648 PolarHBondContact O-N 3.35Å; K648-T650 VanDerWaalsContact C-N 3.25Å; K648-T650 PolarHBondContact O-N 3.34Å; K648-I651 WeakPolarHBondContact O-CB 3.5Å; K648-I651 PolarHBondContact O-N 2.66Å; K648-I651 VanDerWaalsContact O-N 3.1Å; K648-E652 WeakPolarHBondContact CE-OE1 3.41Å; K648-E652 HydrophobicContact CG-CG 4.38Å; K648-E652 WeakPolarHBondContact O-CG 3.5Å; K648-E652 PolarHBondContact O-N 3.46Å; K648-L659 HydrophobicContact CG-CD2 4.36Å
649	H	94.9	Very high	94.3	Very high	78 Å²	78	77.6 Å²	77.6	36%	0.361	38%	0.378	S	S	.	.	H	α-helix	trans	-58.9	-38.8	177.4	-174.8	58.3	0	0	0	112.5	E645 E646 E652 K653	E645-H649 WeakPolarHBondContact O-CB 3.19Å; E645-H649 PolarHBondContact O-N 3.11Å; E646-H649 PolarHBondContact O-N 3.38Å; H649-E652 PolarHBondContact O-N 2.99Å; H649-K653 WeakPolarHBondContact CE1-CE 3.39Å; H649-K653 PolarHBondContact CE1-NZ 3.29Å; H649-K653 VanDerWaalsContact CE1-NZ 3.27Å; H649-K653 WeakPolarHBondContact NE2-CE 3.35Å; H649-K653 PolarHBondContact NE2-NZ 3.21Å; H649-K653 WeakPolarHBondContact O-CB 3.15Å; H649-K653 WeakPolarHBondContact O-CG 3.36Å; H649-K653 PolarHBondContact O-N 3.28Å; H649-K653 VanDerWaalsContact O-N 3.16Å
650	T	96.1	Very high	93.8	Very high	24 Å²	24	83.8 Å²	83.8	15%	0.147	40%	0.404	C	S	.	.	H	α-helix	trans	-61.8	-46.9	174.6	-59.7	0	0	0	0	110.8	E608 E646 M647 K648 K653 E654	E608-T650 HydrophobicContact CG-CG2 4.01Å; E646-T650 WeakPolarHBondContact O-CB 3.36Å; E646-T650 PolarHBondContact O-N 3.12Å; E646-T650 PolarHBondContact O-OG1 3.46Å; M647-T650 WeakPolarHBondContact O-CB 3.43Å; M647-T650 PolarHBondContact O-N 3.05Å; K648-T650 VanDerWaalsContact C-N 3.25Å; K648-T650 PolarHBondContact O-N 3.34Å; T650-K653 PolarHBondContact O-N 3.43Å; T650-E654 PolarHBondContact O-N 2.71Å; T650-E654 VanDerWaalsContact O-N 3.11Å
651	I	95.4	Very high	93.3	Very high	45 Å²	45	90.9 Å²	90.9	23%	0.231	44%	0.438	C	S	.	.	H	α-helix	trans	-63	-41.9	177.3	-74.4	166.8	0	0	0	112.1	V581 M647 K648 K653 E654 L657 L659	V581-I651 HydrophobicContact CG1-CD1 3.66Å; M647-I651 HydrophobicContact CG-CD1 4.04Å; M647-I651 WeakPolarHBondContact O-CG1 3.28Å; M647-I651 PolarHBondContact O-N 3.14Å; K648-I651 WeakPolarHBondContact O-CB 3.5Å; K648-I651 PolarHBondContact O-N 2.66Å; K648-I651 VanDerWaalsContact O-N 3.1Å; I651-K653 PolarHBondContact O-N 3.02Å; I651-E654 PolarHBondContact O-N 2.97Å; I651-L657 HydrophobicContact CB-CD2 4.31Å; I651-L657 HydrophobicContact CG1-CD2 4.41Å; I651-L657 HydrophobicContact CG2-CD2 3.76Å; I651-L657 HydrophobicContact CG2-CG 4.46Å; I651-L659 HydrophobicContact CG2-CB 4.22Å; I651-L659 HydrophobicContact CG2-CD1 4.19Å; I651-L659 HydrophobicContact CG2-CD2 4.15Å; I651-L659 HydrophobicContact CG2-CG 4.42Å
652	E	92.2	Very high	92.8	Very high	112 Å²	112	86.7 Å²	86.7	52%	0.523	43%	0.432	S	S	.	.	H	α-helix	trans	-66.3	-26.9	179.8	-73.3	177.8	159.1	0	0	112.9	K648 H649 L659	K648-E652 WeakPolarHBondContact CE-OE1 3.41Å; K648-E652 HydrophobicContact CG-CG 4.38Å; K648-E652 WeakPolarHBondContact O-CG 3.5Å; K648-E652 PolarHBondContact O-N 3.46Å; H649-E652 PolarHBondContact O-N 2.99Å; E652-L659 HydrophobicContact CG-CD2 4Å
653	K	94.8	Very high	92.3	Very high	140 Å²	140	88 Å²	88	61%	0.609	44%	0.437	S	S	*	.	H	α-helix	trans	-89.8	-17.4	177.6	-75.9	178.7	169.3	176.5	0	114.2	H649 T650 I651 E655	H649-K653 WeakPolarHBondContact CE1-CE 3.39Å; H649-K653 PolarHBondContact CE1-NZ 3.29Å; H649-K653 VanDerWaalsContact CE1-NZ 3.27Å; H649-K653 WeakPolarHBondContact NE2-CE 3.35Å; H649-K653 PolarHBondContact NE2-NZ 3.21Å; H649-K653 WeakPolarHBondContact O-CB 3.15Å; H649-K653 WeakPolarHBondContact O-CG 3.36Å; H649-K653 PolarHBondContact O-N 3.28Å; H649-K653 VanDerWaalsContact O-N 3.16Å; T650-K653 PolarHBondContact O-N 3.43Å; I651-K653 PolarHBondContact O-N 3.02Å; K653-E655 PolarHBondContact O-N 2.87Å
654	E	95.2	Very high	92	Very high	103 Å²	103	89.5 Å²	89.5	48%	0.481	45%	0.448	S	S	.	.	S	Bend	trans	-64.7	123.2	-175.8	-175.2	57.1	-147.2	0	0	110.9	T650 I651 K656 L657	T650-E654 PolarHBondContact O-N 2.71Å; T650-E654 VanDerWaalsContact O-N 3.11Å; I651-E654 PolarHBondContact O-N 2.97Å; E654-K656 PolarHBondContact O-N 2.92Å; E654-L657 HydrophobicContact CB-CB 3.97Å; E654-L657 HydrophobicContact CB-CD2 3.96Å; E654-L657 HydrophobicContact CG-CB 4.05Å; E654-L657 HydrophobicContact CG-CD2 4.15Å; E654-L657 WeakPolarHBondContact O-CB 3.39Å; E654-L657 PolarHBondContact O-N 3.16Å
655	E	94.3	Very high	91.7	Very high	157 Å²	157	89.9 Å²	89.9	73%	0.734	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	138.7	-177.5	-69.8	-167.6	171.8	0	0	111.3	K653 L657	K653-E655 PolarHBondContact O-N 2.87Å; E655-L657 PolarHBondContact O-N 3.16Å
656	K	92.8	Very high	91.8	Very high	207 Å²	207	90.2 Å²	90.2	90%	0.9	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	8.9	-179.5	-47.6	165.3	-172.9	159.5	0	114.1	E654	E654-K656 PolarHBondContact O-N 2.92Å
657	L	95	Very high	91.9	Very high	91 Å²	91	88.1 Å²	88.1	48%	0.476	43%	0.434	S	S	.	.			trans	-95	143.1	167.3	-167.7	56.9	0	0	0	109.6	I651 E654 E655	I651-L657 HydrophobicContact CB-CD2 4.31Å; I651-L657 HydrophobicContact CG1-CD2 4.41Å; I651-L657 HydrophobicContact CG2-CD2 3.76Å; I651-L657 HydrophobicContact CG2-CG 4.46Å; E654-L657 HydrophobicContact CB-CB 3.97Å; E654-L657 HydrophobicContact CB-CD2 3.96Å; E654-L657 HydrophobicContact CG-CB 4.05Å; E654-L657 HydrophobicContact CG-CD2 4.15Å; E654-L657 WeakPolarHBondContact O-CB 3.39Å; E654-L657 PolarHBondContact O-N 3.16Å; E655-L657 PolarHBondContact O-N 3.16Å
658	T	92.6	Very high	92	Very high	109 Å²	109	88.5 Å²	88.5	67%	0.669	44%	0.437	S	S	*	.			trans	-129.3	117	175.5	-60.9	0	0	0	0	108.4	K660	T658-K660 HydrophobicContact CG2-CG 4.25Å
659	L	91.2	Very high	92.2	Very high	72 Å²	72	87.4 Å²	87.4	38%	0.377	44%	0.436	S	S	.	.			trans	-88.2	131.7	175.8	-174.8	60.7	0	0	0	110.2	V581 K648 I651 E652	V581-L659 HydrophobicContact CG2-CD1 4.18Å; V581-L659 HydrophobicContact CG2-CD2 4.38Å; K648-L659 HydrophobicContact CG-CD2 4.36Å; I651-L659 HydrophobicContact CG2-CB 4.22Å; I651-L659 HydrophobicContact CG2-CD1 4.19Å; I651-L659 HydrophobicContact CG2-CD2 4.15Å; I651-L659 HydrophobicContact CG2-CG 4.42Å; E652-L659 HydrophobicContact CG-CD2 4Å
660	K	87.1	Confident	92.2	Very high	147 Å²	147	88.3 Å²	88.3	64%	0.639	44%	0.44	S	S	*	.			trans	-138.8	139	176.6	-66.9	-65	178.7	-174.3	0	109.8	T658	T658-K660 HydrophobicContact CG2-CG 4.25Å
661	Q	84.3	Confident	92.1	Very high	172 Å²	172	96.2 Å²	96.2	80%	0.804	48%	0.476	S	S	*	.			trans	-93.5	137.1	171.3	-173.6	179.9	14	0	0	109.4
662	G	80.7	Confident	91.9	Very high	52 Å²	52	95.9 Å²	95.9	54%	0.536	48%	0.483	S	S	.	.			trans	169.7	157.7	175.2	0	0	0	0	0	111.5
663	V	84	Confident	92.1	Very high	53 Å²	53	92.9 Å²	92.9	32%	0.321	47%	0.47	S	S	.	.			trans	-92.4	127.1	172.2	-177.8	0	0	0	0	108	T679 S680	V663-T679 CarbonylContact O-C 3.55Å; V663-T679 WeakPolarHBondContact O-CA 3.35Å; V663-T679 VanDerWaalsContact O-CB 3.25Å; V663-T679 WeakPolarHBondContact O-CB 3.48Å; V663-S680 PolarHBondContact O-N 2.74Å
664	V	88.8	Confident	92.3	Very high	42 Å²	42	86.2 Å²	86.2	26%	0.255	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	121.4	173.7	174.4	0	0	0	0	108.1	V677 S719 L722	V664-V677 HydrophobicContact CG1-CB 3.81Å; V664-V677 HydrophobicContact CG1-CG1 4.07Å; V664-V677 HydrophobicContact CG2-CB 4.28Å; V664-V677 HydrophobicContact CG2-CG2 4.19Å; V664-S719 PolarHBondContact O-OG 2.89Å; V664-L722 HydrophobicContact CB-CD2 4.49Å; V664-L722 HydrophobicContact CG1-CD1 4.2Å; V664-L722 HydrophobicContact CG1-CD2 4.31Å; V664-L722 WeakPolarHBondContact O-CB 3.47Å
665	D	87.7	Confident	92.4	Very high	24 Å²	24	85 Å²	85	13%	0.128	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-38.1	178.9	-79.9	-0.4	0	0	0	111.6	V678 S680 K721 L722	D665-V678 PolarHBondContact N-O 3.4Å; D665-S680 VanDerWaalsContact OD2-CA 3.31Å; D665-S680 WeakPolarHBondContact OD2-CA 3.46Å; D665-K721 HydrophobicContact CB-CB 3.97Å; D665-K721 HydrophobicContact CB-CD 4.14Å; D665-K721 VanDerWaalsContact CG-CD 3.42Å; D665-K721 CarbonylContact O-C 3.48Å; D665-K721 VanDerWaalsContact O-C 3.24Å; D665-K721 WeakPolarHBondContact OD2-CD 3.23Å; D665-K721 IonicContact OD2-NZ 2.66Å; D665-L722 WeakPolarHBondContact O-CA 3.07Å; D665-L722 PolarHBondContact O-N 3.38Å; D665-L722 VanDerWaalsContact O-N 3.14Å
666	R	95.2	Very high	92.6	Very high	126 Å²	126	77.5 Å²	77.5	48%	0.475	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	159.4	-174	-56.4	-175.5	70.1	140	8.8	112.6	V677 V678 H725 E728	R666-V677 CarbonylContact O-C 3.52Å; R666-V677 WeakPolarHBondContact O-CA 3.38Å; R666-V678 HydrophobicContact CB-CB 4.21Å; R666-V678 HydrophobicContact CB-CG2 4.46Å; R666-V678 PolarHBondContact N-O 2.72Å; R666-V678 PolarHBondContact O-N 3.46Å; R666-H725 PolarHBondContact NE-NE2 3.48Å; R666-H725 PolarHBondContact NH2-CD2 2.88Å; R666-H725 VanDerWaalsContact NH2-CD2 3.29Å; R666-H725 PolarHBondContact NH2-NE2 2.77Å; R666-E728 IonicContact NH2-OE2 3.34Å
667	L	97.7	Very high	92.8	Very high	8 Å²	8	68.9 Å²	68.9	4%	0.042	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	146.7	168.4	-58	-179.5	0	0	0	109.6	V669 V677 V690 I692 L722 H725 L726 L729 L905	L667-V669 HydrophobicContact CB-CG2 3.96Å; L667-V669 PolarHBondContact O-N 3.12Å; L667-V677 HydrophobicContact CD2-CG1 3.84Å; L667-V690 HydrophobicContact CD2-CG1 4.15Å; L667-I692 HydrophobicContact CD1-CD1 4.23Å; L667-I692 HydrophobicContact CD2-CD1 4.36Å; L667-L722 HydrophobicContact CD2-CD1 4.22Å; L667-L722 HydrophobicContact CG-CD1 4.17Å; L667-H725 PolarHBondContact N-CE1 2.95Å; L667-H725 PolarHBondContact N-ND1 2.85Å; L667-H725 VanDerWaalsContact N-ND1 3.19Å; L667-H725 PolarHBondContact O-CE1 3.22Å; L667-L726 HydrophobicContact CD1-CD2 3.81Å; L667-L729 HydrophobicContact CB-CD1 4.31Å; L667-L729 HydrophobicContact CD1-CD1 4.04Å; L667-L905 HydrophobicContact CD1-CD1 3.78Å; L667-L905 HydrophobicContact CD1-CD2 3.68Å; L667-L905 HydrophobicContact CD1-CG 4.39Å
668	V	98	Very high	92.8	Very high	32 Å²	32	66.2 Å²	66.2	19%	0.194	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	104.9	168.2	-177.2	0	0	0	0	107.3	K675 G676 V678 V684	V668-K675 HydrophobicContact CG1-CB 4.31Å; V668-K675 PolarHBondContact O-N 2.86Å; V668-G676 PolarHBondContact N-O 3.33Å; V668-V678 HydrophobicContact CG2-CG2 3.77Å; V668-V684 HydrophobicContact CG2-CG1 3.97Å
669	V	97.4	Very high	92.5	Very high	41 Å²	41	61.6 Å²	61.6	25%	0.248	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.8	179.1	-176.7	0	0	0	0	109.3	L667 I673 L729 I902	L667-V669 HydrophobicContact CB-CG2 3.96Å; L667-V669 PolarHBondContact O-N 3.12Å; V669-I673 WeakPolarHBondContact CA-O 3.47Å; V669-L729 HydrophobicContact CB-CD2 3.99Å; V669-L729 HydrophobicContact CG1-CD2 4.29Å; V669-L729 HydrophobicContact CG2-CD1 3.83Å; V669-L729 HydrophobicContact CG2-CD2 3.91Å; V669-I902 HydrophobicContact CG1-CG2 4.07Å; V669-I902 HydrophobicContact CG2-CD1 4.48Å; V669-I902 HydrophobicContact CG2-CG2 4.27Å
670	E	96	Very high	91.9	Very high	98 Å²	98	60.7 Å²	60.7	46%	0.458	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.1	177.9	-67.1	174.5	-162.4	0	0	108.4	G672 I673 K675	E670-G672 PolarHBondContact O-N 3.26Å; E670-I673 PolarHBondContact N-O 2.92Å; E670-I673 WeakPolarHBondContact O-CB 3.03Å; E670-I673 PolarHBondContact O-N 2.83Å; E670-K675 HydrophobicContact CB-CD 4.06Å; E670-K675 HydrophobicContact CG-CD 4.26Å; E670-K675 WeakPolarHBondContact OE2-CD 3.5Å; E670-K675 WeakPolarHBondContact OE2-CE 3.41Å; E670-K675 IonicContact OE2-NZ 2.69Å; E670-K675 PolarHBondContact OE2-NZ 3.11Å
671	E	92.8	Very high	91.5	Very high	190 Å²	190	58.2 Å²	58.2	89%	0.888	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	37.9	179.5	-57.1	180	167.2	0	0	113.3	I673	E671-I673 VanDerWaalsContact C-N 3.26Å; E671-I673 PolarHBondContact O-N 2.91Å
672	G	92	Very high	91.5	Very high	37 Å²	37	52.5 Å²	52.5	38%	0.381	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	7.5	-179	0	0	0	0	0	114.9	E670 I902 E903	E670-G672 PolarHBondContact O-N 3.26Å; G672-I902 WeakPolarHBondContact O-CG2 3.37Å; G672-E903 PolarHBondContact O-N 3.46Å
673	I	97.5	Very high	91.7	Very high	49 Å²	49	51.6 Å²	51.6	25%	0.251	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.7	179.6	-55.9	170.2	0	0	0	109.5	V669 E670 E671 K675 E903 N904	V669-I673 WeakPolarHBondContact CA-O 3.47Å; E670-I673 PolarHBondContact N-O 2.92Å; E670-I673 WeakPolarHBondContact O-CB 3.03Å; E670-I673 PolarHBondContact O-N 2.83Å; E671-I673 VanDerWaalsContact C-N 3.26Å; E671-I673 PolarHBondContact O-N 2.91Å; I673-K675 HydrophobicContact CG2-CG 4.4Å; I673-K675 PolarHBondContact O-N 2.81Å; I673-E903 HydrophobicContact CG1-CB 4.15Å; I673-N904 HydrophobicContact CG2-CB 4.43Å; I673-N904 WeakPolarHBondContact CG2-ND2 3.48Å
674	C	98.2	Very high	92.2	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.007	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123	173.3	-171.1	0	0	0	0	110.7	V690 I902 E903 L905	C674-V690 VanDerWaalsContact SG-CG2 3.55Å; C674-I902 HydrophobicContact CB-CG2 3.9Å; C674-E903 PolarHBondContact N-O 3.31Å; C674-L905 HydrophobicContact CB-CB 4Å
675	K	97.8	Very high	92.5	Very high	77 Å²	77	56.5 Å²	56.5	34%	0.335	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	4	-175.2	-64.9	-173.2	-175.7	175.5	0	114	V668 E670 I673 S686 A687	V668-K675 HydrophobicContact CG1-CB 4.31Å; V668-K675 PolarHBondContact O-N 2.86Å; E670-K675 HydrophobicContact CB-CD 4.06Å; E670-K675 HydrophobicContact CG-CD 4.26Å; E670-K675 WeakPolarHBondContact OE2-CD 3.5Å; E670-K675 WeakPolarHBondContact OE2-CE 3.41Å; E670-K675 IonicContact OE2-NZ 2.69Å; E670-K675 PolarHBondContact OE2-NZ 3.11Å; I673-K675 HydrophobicContact CG2-CG 4.4Å; I673-K675 PolarHBondContact O-N 2.81Å; K675-S686 CarbonylContact O-C 3.38Å; K675-S686 WeakPolarHBondContact O-CA 3.33Å; K675-A687 CarbonylContact C-O 3.55Å; K675-A687 WeakPolarHBondContact CA-O 3.46Å; K675-A687 PolarHBondContact O-N 2.87Å
676	G	98	Very high	93	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.5	-166.9	179.6	0	0	0	0	0	114.4	V668 Y685	V668-G676 PolarHBondContact N-O 3.33Å; G676-Y685 CarbonylContact C-O 3.16Å; G676-Y685 WeakPolarHBondContact CA-O 3.35Å
677	V	97.3	Very high	93.1	Very high	25 Å²	25	56.6 Å²	56.6	15%	0.152	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155.3	178.8	-58.2	0	0	0	0	111.1	V664 R666 L667 Y685 V690	V664-V677 HydrophobicContact CG1-CB 3.81Å; V664-V677 HydrophobicContact CG1-CG1 4.07Å; V664-V677 HydrophobicContact CG2-CB 4.28Å; V664-V677 HydrophobicContact CG2-CG2 4.19Å; R666-V677 CarbonylContact O-C 3.52Å; R666-V677 WeakPolarHBondContact O-CA 3.38Å; L667-V677 HydrophobicContact CD2-CG1 3.84Å; V677-Y685 HydrophobicContact CG2-CD2 4.33Å; V677-Y685 PolarHBondContact N-O 3.44Å; V677-Y685 PolarHBondContact O-N 2.73Å; V677-V690 HydrophobicContact CG1-CG1 3.78Å; V677-V690 HydrophobicContact CG1-CG2 4.21Å
678	V	94.5	Very high	93.1	Very high	36 Å²	36	63.3 Å²	63.3	22%	0.218	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.6	172.3	-171.5	0	0	0	0	107.9	D665 R666 V668 A683 V684	D665-V678 PolarHBondContact N-O 3.4Å; R666-V678 HydrophobicContact CB-CB 4.21Å; R666-V678 HydrophobicContact CB-CG2 4.46Å; R666-V678 PolarHBondContact N-O 2.72Å; R666-V678 PolarHBondContact O-N 3.46Å; V668-V678 HydrophobicContact CG2-CG2 3.77Å; V678-A683 WeakPolarHBondContact CA-O 3.34Å; V678-V684 HydrophobicContact CG1-CG2 4.35Å; V678-V684 HydrophobicContact CG2-CG2 4.21Å
679	T	86.1	Confident	93.1	Very high	12 Å²	12	62.7 Å²	62.7	7%	0.074	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	163.8	177.2	60.1	0	0	0	0	111.8	V663 T681 G682 A683 Y685	V663-T679 CarbonylContact O-C 3.55Å; V663-T679 WeakPolarHBondContact O-CA 3.35Å; V663-T679 VanDerWaalsContact O-CB 3.25Å; V663-T679 WeakPolarHBondContact O-CB 3.48Å; T679-T681 PolarHBondContact O-N 3.29Å; T679-T681 PolarHBondContact OG1-OG1 3.18Å; T679-G682 WeakPolarHBondContact O-CA 3.44Å; T679-G682 PolarHBondContact O-N 3.41Å; T679-A683 PolarHBondContact N-O 2.79Å; T679-A683 WeakPolarHBondContact OG1-CB 3.35Å; T679-A683 PolarHBondContact OG1-N 2.86Å; T679-A683 PolarHBondContact OG1-O 3.08Å; T679-Y685 HydrophobicContact CG2-CD2 4.03Å; T679-Y685 HydrophobicContact CG2-CE2 3.75Å
680	S	79.4	Confident	93.1	Very high	52 Å²	52	61.5 Å²	61.5	36%	0.364	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.3	175.8	60.4	0	0	0	0	113.2	V663 D665 G682	V663-S680 PolarHBondContact O-N 2.74Å; D665-S680 VanDerWaalsContact OD2-CA 3.31Å; D665-S680 WeakPolarHBondContact OD2-CA 3.46Å; S680-G682 PolarHBondContact O-N 2.86Å; S680-G682 VanDerWaalsContact O-N 3.12Å
681	T	79.1	Confident	93.3	Very high	96 Å²	96	59.6 Å²	59.6	59%	0.589	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	1.4	174	58.9	0	0	0	0	114.4	E349 T679 A683	E349-T681 WeakPolarHBondContact OE1-CG2 3.34Å; T679-T681 PolarHBondContact O-N 3.29Å; T679-T681 PolarHBondContact OG1-OG1 3.18Å; T681-A683 VanDerWaalsContact C-N 3.28Å; T681-A683 PolarHBondContact O-N 3.12Å
682	G	82.7	Confident	93.5	Very high	51 Å²	51	51 Å²	51	53%	0.526	31%	0.31	S	S	.	.	S	Bend	trans	78.5	2	-176.6	0	0	0	0	0	115	T679 S680	T679-G682 WeakPolarHBondContact O-CA 3.44Å; T679-G682 PolarHBondContact O-N 3.41Å; S680-G682 PolarHBondContact O-N 2.86Å; S680-G682 VanDerWaalsContact O-N 3.12Å
683	A	85.6	Confident	93.6	Very high	34 Å²	34	53.6 Å²	53.6	28%	0.281	32%	0.318	S	S	.	.			trans	-70.2	135.5	177.2	0	0	0	0	0	111.2	V678 T679 T681 Y685	V678-A683 WeakPolarHBondContact CA-O 3.34Å; T679-A683 PolarHBondContact N-O 2.79Å; T679-A683 WeakPolarHBondContact OG1-CB 3.35Å; T679-A683 PolarHBondContact OG1-N 2.86Å; T679-A683 PolarHBondContact OG1-O 3.08Å; T681-A683 VanDerWaalsContact C-N 3.28Å; T681-A683 PolarHBondContact O-N 3.12Å; A683-Y685 HydrophobicContact CB-CE2 3.87Å
684	V	94.5	Very high	93.3	Very high	88 Å²	88	52.6 Å²	52.6	53%	0.533	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	121	179.8	-175.4	0	0	0	0	109.7	V668 V678	V668-V684 HydrophobicContact CG2-CG1 3.97Å; V678-V684 HydrophobicContact CG1-CG2 4.35Å; V678-V684 HydrophobicContact CG2-CG2 4.21Å
685	Y	94.9	Very high	92.9	Very high	110 Å²	110	53.4 Å²	53.4	43%	0.431	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	107.9	176.5	-66.5	-89.9	0	0	0	109.9	G676 V677 T679 A683	G676-Y685 CarbonylContact C-O 3.16Å; G676-Y685 WeakPolarHBondContact CA-O 3.35Å; V677-Y685 HydrophobicContact CG2-CD2 4.33Å; V677-Y685 PolarHBondContact N-O 3.44Å; V677-Y685 PolarHBondContact O-N 2.73Å; T679-Y685 HydrophobicContact CG2-CD2 4.03Å; T679-Y685 HydrophobicContact CG2-CE2 3.75Å; A683-Y685 HydrophobicContact CB-CE2 3.87Å
686	S	97.4	Very high	92.5	Very high	110 Å²	110	50.6 Å²	50.6	77%	0.769	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	136.1	176.1	-53	0	0	0	0	111.6	K675	K675-S686 CarbonylContact O-C 3.38Å; K675-S686 WeakPolarHBondContact O-CA 3.33Å
687	A	97.3	Very high	91.9	Very high	41 Å²	41	51.5 Å²	51.5	34%	0.339	32%	0.322	S	S	.	.			trans	-144.5	152.5	179	0	0	0	0	0	111	K675 A689 V690	K675-A687 CarbonylContact C-O 3.55Å; K675-A687 WeakPolarHBondContact CA-O 3.46Å; K675-A687 PolarHBondContact O-N 2.87Å; A687-A689 VanDerWaalsContact C-N 3.35Å; A687-A689 WeakPolarHBondContact CB-O 3.41Å; A687-V690 HydrophobicContact CB-CG2 4.2Å
688	K	97.8	Very high	91.5	Very high	150 Å²	150	50.3 Å²	50.3	65%	0.652	32%	0.315	S	S	*	.	S	Bend	trans	-79.8	-20.5	174.2	-66.6	-178.1	178.2	-179.1	0	113.1	N904 I935	K688-N904 WeakPolarHBondContact O-CB 3.36Å; K688-N904 VanDerWaalsContact O-CG 3.28Å; K688-N904 PolarHBondContact O-ND2 3.2Å; K688-I935 HydrophobicContact CB-CD1 3.87Å; K688-I935 HydrophobicContact CB-CG1 3.81Å; K688-I935 HydrophobicContact CD-CG1 4.47Å; K688-I935 HydrophobicContact CD-CG2 3.82Å
689	A	98.4	Very high	91.1	Very high	19 Å²	19	51.5 Å²	51.5	16%	0.157	32%	0.315	C	S	.	.			trans	-150.6	148.5	172.4	0	0	0	0	0	109.1	A687 N904 Y906 A931 I935	A687-A689 VanDerWaalsContact C-N 3.35Å; A687-A689 WeakPolarHBondContact CB-O 3.41Å; A689-N904 WeakPolarHBondContact CA-O 3.27Å; A689-N904 HydrophobicContact CB-CB 4.42Å; A689-Y906 HydrophobicContact CB-CE2 4.34Å; A689-A931 HydrophobicContact CB-CB 4.01Å; A689-I935 HydrophobicContact CB-CD1 3.92Å; A689-I935 HydrophobicContact CB-CG1 4.45Å
690	V	98.7	Very high	91	Very high	15 Å²	15	50.9 Å²	50.9	9%	0.091	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134.3	178.6	176.6	0	0	0	0	108.5	L667 C674 V677 A687 N904 L905 Y906	L667-V690 HydrophobicContact CD2-CG1 4.15Å; C674-V690 VanDerWaalsContact SG-CG2 3.55Å; V677-V690 HydrophobicContact CG1-CG1 3.78Å; V677-V690 HydrophobicContact CG1-CG2 4.21Å; A687-V690 HydrophobicContact CB-CG2 4.2Å; V690-N904 PolarHBondContact N-O 3.25Å; V690-L905 HydrophobicContact CB-CD1 4.18Å; V690-L905 HydrophobicContact CG1-CD1 4.15Å; V690-Y906 PolarHBondContact O-N 2.97Å
691	I	98.5	Very high	91.2	Very high	58 Å²	58	50.5 Å²	50.5	30%	0.297	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116.9	177.7	-47.2	179.2	0	0	0	108.4	T693 Y906 A927 A931	I691-T693 HydrophobicContact CG2-CG2 4.27Å; I691-Y906 CarbonylContact C-O 3.5Å; I691-Y906 WeakPolarHBondContact CA-O 3.43Å; I691-Y906 HydrophobicContact CG1-CG 4.48Å; I691-A927 HydrophobicContact CD1-CB 4.22Å; I691-A927 HydrophobicContact CG2-CB 3.83Å; I691-A931 HydrophobicContact CD1-CB 4.03Å; I691-A931 HydrophobicContact CG1-CB 4.4Å
692	I	97.2	Very high	91.4	Very high	11 Å²	11	46 Å²	46	6%	0.056	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.6	176.8	-58.4	178.5	0	0	0	109.5	L667 A694 L726 L905 Y906 T907 A908 T911	L667-I692 HydrophobicContact CD1-CD1 4.23Å; L667-I692 HydrophobicContact CD2-CD1 4.36Å; I692-A694 HydrophobicContact CG2-CB 4Å; I692-L726 HydrophobicContact CD1-CD1 4.16Å; I692-L726 HydrophobicContact CD1-CD2 3.73Å; I692-L905 HydrophobicContact CD1-CD1 3.9Å; I692-L905 HydrophobicContact CG1-CD1 4.06Å; I692-Y906 PolarHBondContact N-O 2.8Å; I692-T907 HydrophobicContact CB-CG2 4.26Å; I692-T907 WeakPolarHBondContact O-CA 3.31Å; I692-A908 PolarHBondContact O-N 2.95Å; I692-T911 HydrophobicContact CG2-CG2 4.11Å
693	T	94.9	Very high	91.5	Very high	91 Å²	91	43.5 Å²	43.5	56%	0.558	25%	0.251	S	S	*	.			trans	-130.6	47.3	177.1	47.9	0	0	0	0	110.3	I691 G695 A908	I691-T693 HydrophobicContact CG2-CG2 4.27Å; T693-G695 PolarHBondContact O-N 2.89Å; T693-A908 HydrophobicContact CG2-CB 3.84Å
694	A	90.9	Very high	91.5	Very high	27 Å²	27	43.2 Å²	43.2	22%	0.223	25%	0.245	C	C	.	.			trans	-66.6	0.8	-169.8	0	0	0	0	0	115.2	I692 T696 A697 L698 T911	I692-A694 HydrophobicContact CG2-CB 4Å; A694-T696 PolarHBondContact O-N 2.94Å; A694-A697 WeakPolarHBondContact O-CB 3.35Å; A694-A697 PolarHBondContact O-N 2.86Å; A694-L698 HydrophobicContact CB-CB 4.29Å; A694-T911 PolarHBondContact N-OG1 3.28Å
695	G	90.9	Very high	91	Very high	18 Å²	18	39 Å²	39	19%	0.186	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-132.9	-176.6	0	0	0	0	0	111	T693 Q910	T693-G695 PolarHBondContact O-N 2.89Å; G695-Q910 WeakPolarHBondContact O-CB 3.29Å
696	T	88	Confident	90.2	Very high	18 Å²	18	38.4 Å²	38.4	11%	0.11	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	17.4	175.2	59.8	0	0	0	0	112.6	A694 I883 Y885 Q910	A694-T696 PolarHBondContact O-N 2.94Å; T696-I883 HydrophobicContact CG2-CG2 4.49Å; T696-Y885 HydrophobicContact CG2-CD1 3.69Å; T696-Y885 HydrophobicContact CG2-CD2 4.33Å; T696-Y885 HydrophobicContact CG2-CE1 3.73Å; T696-Y885 HydrophobicContact CG2-CE2 4.36Å; T696-Y885 HydrophobicContact CG2-CG 4.01Å; T696-Y885 WeakPolarHBondContact O-CB 3.41Å; T696-Q910 HydrophobicContact CG2-CB 4.28Å; T696-Q910 HydrophobicContact CG2-CG 4.02Å
697	A	86.3	Confident	89.3	Confident	19 Å²	19	38 Å²	38	16%	0.157	21%	0.209	C	C	.	.			trans	-86.2	-19.9	-177.7	0	0	0	0	0	113.1	A694 R699 G700 P718 S719	A694-A697 WeakPolarHBondContact O-CB 3.35Å; A694-A697 PolarHBondContact O-N 2.86Å; A697-R699 PolarHBondContact O-N 3.42Å; A697-G700 PolarHBondContact O-N 3.07Å; A697-P718 WeakPolarHBondContact O-CA 3.39Å; A697-S719 PolarHBondContact O-N 3.48Å
698	L	87.7	Confident	88.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-65.1	108.8	-178.6	-161.5	72.3	0	0	0	109.8	A694 G700 L722 A723 L726 D886	A694-L698 HydrophobicContact CB-CB 4.29Å; L698-G700 PolarHBondContact O-N 2.96Å; L698-G700 VanDerWaalsContact O-N 3.16Å; L698-L722 HydrophobicContact CD1-CB 4.18Å; L698-L722 HydrophobicContact CD1-CD2 4.23Å; L698-L722 HydrophobicContact CD1-CG 4.09Å; L698-A723 HydrophobicContact CD1-CB 3.75Å; L698-A723 HydrophobicContact CD2-CB 4.41Å; L698-A723 HydrophobicContact CG-CB 3.67Å; L698-L726 HydrophobicContact CD1-CD1 4.24Å; L698-L726 HydrophobicContact CD2-CD1 3.97Å; L698-D886 HydrophobicContact CB-CB 4.26Å; L698-D886 HydrophobicContact CD2-CB 3.86Å; L698-D886 HydrophobicContact CG-CB 4Å; L698-D886 PolarHBondContact O-N 2.82Å
699	R	85.8	Confident	87.4	Confident	61 Å²	61	35.2 Å²	35.2	23%	0.23	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.4	46.4	-169.2	-151.9	-167.8	-45.2	-126.5	-13.5	113	A697 S719 A723 D724 R735 D886	A697-R699 PolarHBondContact O-N 3.42Å; R699-S719 PolarHBondContact N-O 3.5Å; R699-A723 HydrophobicContact CB-CB 3.98Å; R699-D724 IonicContact CZ-OD1 3.29Å; R699-D724 IonicContact NH1-OD1 2.96Å; R699-D724 PolarHBondContact NH1-OD1 3.31Å; R699-D724 IonicContact NH2-OD1 3.78Å; R699-D724 PolarHBondContact NH2-OD1 2.97Å; R699-R735 PolarHBondContact O-NH2 2.76Å; R699-D886 HydrophobicContact CB-CB 4.42Å; R699-D886 WeakPolarHBondContact CB-OD2 3.45Å; R699-D886 IonicContact CZ-OD2 2.63Å; R699-D886 IonicContact NE-OD1 3.94Å; R699-D886 IonicContact NE-OD2 3.64Å; R699-D886 PolarHBondContact NE-OD2 3.38Å; R699-D886 IonicContact NH2-OD2 2.81Å; R699-D886 PolarHBondContact NH2-OD2 2.65Å
700	G	85.9	Confident	86.4	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.			trans	-65.8	136.9	-177.8	0	0	0	0	0	112	A697 L698 S711 E884	A697-G700 PolarHBondContact O-N 3.07Å; L698-G700 PolarHBondContact O-N 2.96Å; L698-G700 VanDerWaalsContact O-N 3.16Å; G700-S711 CarbonylContact C-O 3.58Å; G700-S711 WeakPolarHBondContact CA-O 3.42Å; G700-S711 CarbonylContact O-C 3.48Å; G700-S711 PolarHBondContact O-N 2.8Å; G700-S711 VanDerWaalsContact O-O 3.09Å; G700-E884 CarbonylContact C-O 3.43Å; G700-E884 VanDerWaalsContact CA-O 3.27Å; G700-E884 WeakPolarHBondContact CA-O 3.38Å
701	E	83.7	Confident	85.4	Confident	44 Å²	44	36.7 Å²	36.7	21%	0.206	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	128.3	172.3	-70.6	-178.2	128.1	0	0	110.9	K708 Y709 S711 R735 I883 E884	E701-K708 WeakPolarHBondContact OE1-CE 3.22Å; E701-K708 WeakPolarHBondContact OE2-CE 3.29Å; E701-K708 IonicContact OE2-NZ 3.37Å; E701-K708 PolarHBondContact OE2-NZ 3.04Å; E701-Y709 CarbonylContact C-O 3.59Å; E701-Y709 VanDerWaalsContact CA-O 3.29Å; E701-Y709 WeakPolarHBondContact CA-O 3.35Å; E701-S711 PolarHBondContact N-O 3.1Å; E701-R735 IonicContact OE2-CZ 3.7Å; E701-R735 IonicContact OE2-NH1 2.73Å; E701-R735 PolarHBondContact OE2-NH1 3.19Å; E701-R735 IonicContact OE2-NH2 3.95Å; E701-R735 PolarHBondContact OE2-NH2 2.97Å; E701-I883 CarbonylContact O-C 3.56Å; E701-I883 VanDerWaalsContact O-CA 3.28Å; E701-I883 WeakPolarHBondContact O-CA 3.46Å; E701-E884 HydrophobicContact CB-CB 4.49Å; E701-E884 PolarHBondContact N-O 2.84Å; E701-E884 PolarHBondContact O-N 2.93Å
702	I	82.8	Confident	84.3	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	139.3	174.3	-71.4	178.4	0	0	0	109.4	I704 K708 Y709 G712 Y881 A882	I702-I704 HydrophobicContact CG2-CD1 4.23Å; I702-I704 HydrophobicContact CG2-CG1 4.11Å; I702-K708 VanDerWaalsContact O-CA 3.32Å; I702-K708 WeakPolarHBondContact O-CA 3.02Å; I702-Y709 HydrophobicContact CB-CD1 4.46Å; I702-Y709 HydrophobicContact CB-CE1 3.93Å; I702-Y709 HydrophobicContact CB-CE2 4.02Å; I702-Y709 HydrophobicContact CD1-CE2 4.14Å; I702-Y709 HydrophobicContact CG2-CE1 3.67Å; I702-Y709 HydrophobicContact CG2-CE2 4.45Å; I702-Y709 WeakPolarHBondContact CG2-OH 3.39Å; I702-Y709 PolarHBondContact N-O 3.37Å; I702-Y709 PolarHBondContact O-N 2.92Å; I702-G712 WeakPolarHBondContact CD1-O 3.11Å; I702-Y881 HydrophobicContact CD1-CD2 4.31Å; I702-Y881 HydrophobicContact CD1-CE2 4.12Å; I702-Y881 HydrophobicContact CG1-CD2 4.02Å; I702-Y881 HydrophobicContact CG1-CE2 4.1Å; I702-Y881 HydrophobicContact CG2-CD2 3.94Å; I702-Y881 HydrophobicContact CG2-CG 3.95Å; I702-A882 CarbonylContact C-O 3.24Å; I702-A882 WeakPolarHBondContact CA-O 3.41Å
703	I	84.6	Confident	83.4	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.6	178.9	-48.1	177.4	0	0	0	110.3	L707 K708 P803 V809 A882 E884	I703-L707 WeakPolarHBondContact CA-O 3.14Å; I703-K708 HydrophobicContact CD1-CD 4.26Å; I703-K708 HydrophobicContact CG1-CB 4.44Å; I703-K708 HydrophobicContact CG1-CD 4.24Å; I703-K708 HydrophobicContact CG1-CG 4.07Å; I703-P803 HydrophobicContact CB-CG 4.47Å; I703-P803 HydrophobicContact CG2-CB 3.83Å; I703-P803 HydrophobicContact CG2-CG 3.33Å; I703-V809 HydrophobicContact CD1-CG2 4.08Å; I703-A882 HydrophobicContact CB-CB 4.48Å; I703-A882 PolarHBondContact N-O 3.39Å; I703-A882 PolarHBondContact O-N 3.33Å; I703-E884 HydrophobicContact CD1-CG 3.71Å
704	I	84.5	Confident	82.2	Confident	28 Å²	28	31.5 Å²	31.5	14%	0.144	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	98.6	176.8	-56.4	172.3	0	0	0	108.1	I702 E706 L707 T879	I702-I704 HydrophobicContact CG2-CD1 4.23Å; I702-I704 HydrophobicContact CG2-CG1 4.11Å; I704-E706 PolarHBondContact O-N 2.95Å; I704-L707 PolarHBondContact N-O 3.45Å; I704-L707 WeakPolarHBondContact O-CB 3.33Å; I704-L707 PolarHBondContact O-N 2.97Å; I704-T879 HydrophobicContact CD1-CG2 4.35Å; I704-T879 HydrophobicContact CG2-CG2 3.87Å
705	G	85.1	Confident	81.2	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	-118.7	-176.7	0	0	0	0	0	111.7	P803 S855	G705-P803 WeakPolarHBondContact O-CG 3.2Å; G705-S855 WeakPolarHBondContact CA-O 3.49Å; G705-S855 PolarHBondContact N-O 3.21Å
706	E	78.8	Confident	80.2	Confident	96 Å²	96	34.8 Å²	34.8	45%	0.449	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-13.6	176.6	-52	85	172	0	0	112.9	I704 R801 P857	I704-E706 PolarHBondContact O-N 2.95Å; E706-R801 VanDerWaalsContact OE1-CB 3.31Å; E706-R801 WeakPolarHBondContact OE1-CB 3.44Å; E706-R801 VanDerWaalsContact OE1-CG 3.27Å; E706-R801 WeakPolarHBondContact OE1-CG 3.26Å; E706-R801 IonicContact OE1-CZ 3.85Å; E706-R801 IonicContact OE1-NE 3.36Å; E706-R801 PolarHBondContact OE1-NE 3.34Å; E706-R801 IonicContact OE1-NH2 3Å; E706-R801 IonicContact OE2-NH2 3.8Å; E706-P857 WeakPolarHBondContact OE2-CG 3.38Å
707	L	76.6	Confident	79.4	Confident	101 Å²	101	38.5 Å²	38.5	53%	0.529	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129.3	178.2	-179.8	66.7	0	0	0	110.7	I703 I704 Y709	I703-L707 WeakPolarHBondContact CA-O 3.14Å; I704-L707 PolarHBondContact N-O 3.45Å; I704-L707 WeakPolarHBondContact O-CB 3.33Å; I704-L707 PolarHBondContact O-N 2.97Å; L707-Y709 HydrophobicContact CD1-CD1 4.45Å; L707-Y709 HydrophobicContact CD2-CD1 4.18Å; L707-Y709 HydrophobicContact CD2-CE1 4.09Å; L707-Y709 HydrophobicContact CG-CD1 4.02Å; L707-Y709 HydrophobicContact CG-CE1 4.36Å
708	K	77.9	Confident	78.9	Confident	59 Å²	59	38.6 Å²	38.6	26%	0.257	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	131.1	173.7	178	169.9	-179.1	170	0	109.6	E701 I702 I703 I808 D810 E884	E701-K708 WeakPolarHBondContact OE1-CE 3.22Å; E701-K708 WeakPolarHBondContact OE2-CE 3.29Å; E701-K708 IonicContact OE2-NZ 3.37Å; E701-K708 PolarHBondContact OE2-NZ 3.04Å; I702-K708 VanDerWaalsContact O-CA 3.32Å; I702-K708 WeakPolarHBondContact O-CA 3.02Å; I703-K708 HydrophobicContact CD1-CD 4.26Å; I703-K708 HydrophobicContact CG1-CB 4.44Å; I703-K708 HydrophobicContact CG1-CD 4.24Å; I703-K708 HydrophobicContact CG1-CG 4.07Å; K708-I808 HydrophobicContact CB-CG2 4.3Å; K708-I808 HydrophobicContact CD-CG2 3.81Å; K708-I808 PolarHBondContact NZ-O 3.12Å; K708-D810 IonicContact NZ-OD2 3.09Å; K708-E884 IonicContact NZ-OE2 2.71Å; K708-E884 PolarHBondContact NZ-OE2 2.9Å
709	Y	78.1	Confident	78.5	Confident	74 Å²	74	39.3 Å²	39.3	29%	0.29	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	153.7	178.4	62.2	-85.2	0	0	0	112.1	E701 I702 L707 S711 N715	E701-Y709 CarbonylContact C-O 3.59Å; E701-Y709 VanDerWaalsContact CA-O 3.29Å; E701-Y709 WeakPolarHBondContact CA-O 3.35Å; I702-Y709 HydrophobicContact CB-CD1 4.46Å; I702-Y709 HydrophobicContact CB-CE1 3.93Å; I702-Y709 HydrophobicContact CB-CE2 4.02Å; I702-Y709 HydrophobicContact CD1-CE2 4.14Å; I702-Y709 HydrophobicContact CG2-CE1 3.67Å; I702-Y709 HydrophobicContact CG2-CE2 4.45Å; I702-Y709 WeakPolarHBondContact CG2-OH 3.39Å; I702-Y709 PolarHBondContact N-O 3.37Å; I702-Y709 PolarHBondContact O-N 2.92Å; L707-Y709 HydrophobicContact CD1-CD1 4.45Å; L707-Y709 HydrophobicContact CD2-CD1 4.18Å; L707-Y709 HydrophobicContact CD2-CE1 4.09Å; L707-Y709 HydrophobicContact CG-CD1 4.02Å; L707-Y709 HydrophobicContact CG-CE1 4.36Å; Y709-S711 PolarHBondContact O-N 2.95Å; Y709-N715 WeakPolarHBondContact CE2-OD1 3.49Å; Y709-N715 PolarHBondContact OH-OD1 3.45Å
710	S	77.5	Confident	78.3	Confident	58 Å²	58	39.6 Å²	39.6	41%	0.406	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	118.6	179.6	-172.6	0	0	0	0	110.9	P718	S710-P718 WeakPolarHBondContact OG-CG 3.23Å
711	S	77	Confident	78.2	Confident	8 Å²	8	44 Å²	44	6%	0.056	22%	0.224	C	C	.	.			trans	-169.2	147.7	179.3	-160.4	0	0	0	0	113.4	G700 E701 Y709 N715 S716	G700-S711 CarbonylContact C-O 3.58Å; G700-S711 WeakPolarHBondContact CA-O 3.42Å; G700-S711 CarbonylContact O-C 3.48Å; G700-S711 PolarHBondContact O-N 2.8Å; G700-S711 VanDerWaalsContact O-O 3.09Å; E701-S711 PolarHBondContact N-O 3.1Å; Y709-S711 PolarHBondContact O-N 2.95Å; S711-N715 WeakPolarHBondContact OG-CA 3.42Å; S711-S716 PolarHBondContact OG-O 3.22Å
712	G	75.7	Confident	78.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-78.1	179.3	163.1	0	0	0	0	0	112.1	I702 N714 N715 S716	I702-G712 WeakPolarHBondContact CD1-O 3.11Å; G712-N714 PolarHBondContact O-N 2.83Å; G712-N715 PolarHBondContact O-N 2.81Å; G712-S716 VanDerWaalsContact C-OG 3.25Å; G712-S716 WeakPolarHBondContact CA-O 3.41Å; G712-S716 VanDerWaalsContact CA-OG 3.23Å; G712-S716 WeakPolarHBondContact CA-OG 3.39Å; G712-S716 PolarHBondContact N-O 2.92Å; G712-S716 PolarHBondContact O-N 3.31Å
713	P	77.5	Confident	78.9	Confident	17 Å²	17	42.4 Å²	42.4	11%	0.11	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	135.9	-176	26.6	-33.9	0	0	0	111.9	P585 S716 I883	P585-P713 HydrophobicContact CB-CB 3.53Å; P585-P713 HydrophobicContact CB-CG 4.19Å; P585-P713 HydrophobicContact CG-CB 4.1Å; P585-P713 HydrophobicContact CG-CG 4.36Å; P713-S716 WeakPolarHBondContact CD-OG 3.15Å; P713-S716 WeakPolarHBondContact O-CB 3.35Å; P713-S716 PolarHBondContact O-N 2.73Å; P713-S716 PolarHBondContact O-OG 2.88Å; P713-I883 HydrophobicContact CB-CD1 4.33Å
714	N	71.1	Confident	79.2	Confident	33 Å²	33	44.9 Å²	44.9	18%	0.176	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	43.6	-177.2	-67.8	-21.4	0	0	0	113.9	F583 G712 S716 Y881	F583-N714 HydrophobicContact CE1-CB 4.14Å; F583-N714 WeakPolarHBondContact CE1-ND2 3.41Å; F583-N714 HydrophobicContact CZ-CB 4.15Å; F583-N714 WeakPolarHBondContact CZ-ND2 3.4Å; G712-N714 PolarHBondContact O-N 2.83Å; N714-S716 PolarHBondContact O-N 2.96Å; N714-Y881 PolarHBondContact N-OH 3.19Å; N714-Y881 PolarHBondContact OD1-OH 3.04Å
715	N	68.8	Low	79.7	Confident	102 Å²	102	44.2 Å²	44.2	55%	0.545	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	27.9	178.4	-57.6	-39.4	0	0	0	113.4	Y709 S711 G712	Y709-N715 WeakPolarHBondContact CE2-OD1 3.49Å; Y709-N715 PolarHBondContact OH-OD1 3.45Å; S711-N715 WeakPolarHBondContact OG-CA 3.42Å; G712-N715 PolarHBondContact O-N 2.81Å
716	S	70.3	Confident	80.2	Confident	13 Å²	13	44.2 Å²	44.2	9%	0.091	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-76.6	163.4	175.2	76.4	0	0	0	0	111.4	S711 G712 P713 N714 P718	S711-S716 PolarHBondContact OG-O 3.22Å; G712-S716 VanDerWaalsContact C-OG 3.25Å; G712-S716 WeakPolarHBondContact CA-O 3.41Å; G712-S716 VanDerWaalsContact CA-OG 3.23Å; G712-S716 WeakPolarHBondContact CA-OG 3.39Å; G712-S716 PolarHBondContact N-O 2.92Å; G712-S716 PolarHBondContact O-N 3.31Å; P713-S716 WeakPolarHBondContact CD-OG 3.15Å; P713-S716 WeakPolarHBondContact O-CB 3.35Å; P713-S716 PolarHBondContact O-N 2.73Å; P713-S716 PolarHBondContact O-OG 2.88Å; N714-S716 PolarHBondContact O-N 2.96Å; S716-P718 WeakPolarHBondContact O-CD 3.23Å
717	Q	72.6	Confident	80.9	Confident	96 Å²	96	43.8 Å²	43.8	45%	0.449	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-59.6	122.8	174	-78.7	-67.1	-13.1	0	0	111.6	E348	E348-Q717 PolarHBondContact OE1-NE2 3.32Å; E348-Q717 PolarHBondContact OE1-OE1 3.15Å; E348-Q717 VanDerWaalsContact OE1-OE1 3.14Å
718	P	75.9	Confident	81.8	Confident	21 Å²	21	45.5 Å²	45.5	14%	0.136	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-77	155.6	171.1	32.1	-31.7	0	0	0	110.6	A697 S710 S716 I720	A697-P718 WeakPolarHBondContact O-CA 3.39Å; S710-P718 WeakPolarHBondContact OG-CG 3.23Å; S716-P718 WeakPolarHBondContact O-CD 3.23Å; P718-I720 HydrophobicContact CB-CG1 4.37Å; P718-I720 HydrophobicContact CG-CD1 4.36Å; P718-I720 HydrophobicContact CG-CG1 4.34Å
719	S	78.2	Confident	82.6	Confident	14 Å²	14	44.9 Å²	44.9	10%	0.098	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-106.8	91.4	174.4	-173.9	0	0	0	0	109.1	V664 A697 R699 L722	V664-S719 PolarHBondContact O-OG 2.89Å; A697-S719 PolarHBondContact O-N 3.48Å; R699-S719 PolarHBondContact N-O 3.5Å; S719-L722 VanDerWaalsContact OG-CB 3.27Å; S719-L722 WeakPolarHBondContact OG-CB 3.33Å
720	I	80.9	Confident	83.3	Confident	68 Å²	68	43.7 Å²	43.7	35%	0.349	24%	0.239	S	C	.	.			trans	-86.3	-55.1	-176.7	-56.3	173	0	0	0	110.2	P718 L722 A723 D724	P718-I720 HydrophobicContact CB-CG1 4.37Å; P718-I720 HydrophobicContact CG-CD1 4.36Å; P718-I720 HydrophobicContact CG-CG1 4.34Å; I720-L722 VanDerWaalsContact C-N 3.27Å; I720-L722 PolarHBondContact O-N 2.95Å; I720-A723 WeakPolarHBondContact O-CA 3.45Å; I720-A723 VanDerWaalsContact O-CB 3.25Å; I720-A723 WeakPolarHBondContact O-CB 3.23Å; I720-A723 PolarHBondContact O-N 3.49Å; I720-D724 PolarHBondContact O-N 3.42Å; I720-D724 VanDerWaalsContact O-N 3.15Å
721	K	85.1	Confident	84.1	Confident	93 Å²	93	41.2 Å²	41.2	40%	0.404	22%	0.221	S	C	.	.	H	α-helix	trans	-54.9	-40	-177.2	-71	175.8	171.6	177.7	0	112.9	D345 D665 A723 D724 H725	D345-K721 IonicContact OD1-NZ 3.46Å; D345-K721 PolarHBondContact OD1-NZ 3.49Å; D665-K721 HydrophobicContact CB-CB 3.97Å; D665-K721 HydrophobicContact CB-CD 4.14Å; D665-K721 VanDerWaalsContact CG-CD 3.42Å; D665-K721 CarbonylContact O-C 3.48Å; D665-K721 VanDerWaalsContact O-C 3.24Å; D665-K721 WeakPolarHBondContact OD2-CD 3.23Å; D665-K721 IonicContact OD2-NZ 2.66Å; K721-A723 PolarHBondContact O-N 2.93Å; K721-D724 PolarHBondContact O-N 3.08Å; K721-H725 WeakPolarHBondContact O-CB 3.27Å; K721-H725 PolarHBondContact O-N 2.92Å
722	L	92.1	Very high	84.9	Confident	9 Å²	9	44.3 Å²	44.3	5%	0.047	23%	0.234	C	C	.	.	H	α-helix	trans	-65	-39.2	175.8	-176	57.8	0	0	0	112.3	V664 D665 L667 L698 S719 I720 H725 L726	V664-L722 HydrophobicContact CB-CD2 4.49Å; V664-L722 HydrophobicContact CG1-CD1 4.2Å; V664-L722 HydrophobicContact CG1-CD2 4.31Å; V664-L722 WeakPolarHBondContact O-CB 3.47Å; D665-L722 WeakPolarHBondContact O-CA 3.07Å; D665-L722 PolarHBondContact O-N 3.38Å; D665-L722 VanDerWaalsContact O-N 3.14Å; L667-L722 HydrophobicContact CD2-CD1 4.22Å; L667-L722 HydrophobicContact CG-CD1 4.17Å; L698-L722 HydrophobicContact CD1-CB 4.18Å; L698-L722 HydrophobicContact CD1-CD2 4.23Å; L698-L722 HydrophobicContact CD1-CG 4.09Å; S719-L722 VanDerWaalsContact OG-CB 3.27Å; S719-L722 WeakPolarHBondContact OG-CB 3.33Å; I720-L722 VanDerWaalsContact C-N 3.27Å; I720-L722 PolarHBondContact O-N 2.95Å; L722-H725 PolarHBondContact O-N 3.2Å; L722-L726 HydrophobicContact CD1-CG 4.44Å; L722-L726 HydrophobicContact CG-CD1 4.35Å; L722-L726 VanDerWaalsContact O-CG 3.23Å; L722-L726 WeakPolarHBondContact O-CG 3.25Å; L722-L726 PolarHBondContact O-N 3.14Å
723	A	89.2	Confident	85.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-46.3	179.7	0	0	0	0	0	111	L698 R699 I720 K721 L726 Q727	L698-A723 HydrophobicContact CD1-CB 3.75Å; L698-A723 HydrophobicContact CD2-CB 4.41Å; L698-A723 HydrophobicContact CG-CB 3.67Å; R699-A723 HydrophobicContact CB-CB 3.98Å; I720-A723 WeakPolarHBondContact O-CA 3.45Å; I720-A723 VanDerWaalsContact O-CB 3.25Å; I720-A723 WeakPolarHBondContact O-CB 3.23Å; I720-A723 PolarHBondContact O-N 3.49Å; K721-A723 PolarHBondContact O-N 2.93Å; A723-L726 PolarHBondContact O-N 3.33Å; A723-Q727 PolarHBondContact O-N 2.87Å
724	D	91.1	Very high	86.3	Confident	53 Å²	53	47.7 Å²	47.7	28%	0.283	25%	0.249	S	C	.	.	H	α-helix	trans	-63.8	-43.5	176.7	-65.6	-33.2	0	0	0	111	R699 I720 K721 L726 Q727 E728	R699-D724 IonicContact CZ-OD1 3.29Å; R699-D724 IonicContact NH1-OD1 2.96Å; R699-D724 PolarHBondContact NH1-OD1 3.31Å; R699-D724 IonicContact NH2-OD1 3.78Å; R699-D724 PolarHBondContact NH2-OD1 2.97Å; I720-D724 PolarHBondContact O-N 3.42Å; I720-D724 VanDerWaalsContact O-N 3.15Å; K721-D724 PolarHBondContact O-N 3.08Å; D724-L726 VanDerWaalsContact C-N 3.3Å; D724-L726 PolarHBondContact O-N 3.49Å; D724-Q727 WeakPolarHBondContact O-CB 3.43Å; D724-Q727 PolarHBondContact O-N 3.22Å; D724-Q727 VanDerWaalsContact O-N 3.08Å; D724-E728 WeakPolarHBondContact O-CG 3.22Å; D724-E728 PolarHBondContact O-N 3.39Å
725	H	94.7	Very high	87.2	Confident	14 Å²	14	48.4 Å²	48.4	7%	0.065	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-35	177.2	-166.6	-117.7	0	0	0	113	R666 L667 K721 L722 Q727 E728 L729	R666-H725 PolarHBondContact NE-NE2 3.48Å; R666-H725 PolarHBondContact NH2-CD2 2.88Å; R666-H725 VanDerWaalsContact NH2-CD2 3.29Å; R666-H725 PolarHBondContact NH2-NE2 2.77Å; L667-H725 PolarHBondContact N-CE1 2.95Å; L667-H725 PolarHBondContact N-ND1 2.85Å; L667-H725 VanDerWaalsContact N-ND1 3.19Å; L667-H725 PolarHBondContact O-CE1 3.22Å; K721-H725 WeakPolarHBondContact O-CB 3.27Å; K721-H725 PolarHBondContact O-N 2.92Å; L722-H725 PolarHBondContact O-N 3.2Å; H725-Q727 VanDerWaalsContact C-N 3.35Å; H725-E728 IonicContact CD2-OE2 3.99Å; H725-E728 PolarHBondContact CD2-OE2 3.3Å; H725-E728 PolarHBondContact O-N 2.97Å; H725-L729 WeakPolarHBondContact O-CB 3.37Å; H725-L729 WeakPolarHBondContact O-CD1 3.48Å; H725-L729 WeakPolarHBondContact O-CG 3.47Å; H725-L729 PolarHBondContact O-N 3.12Å
726	L	95.6	Very high	88.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-39.2	174.2	-69.2	170.2	0	0	0	111.7	L667 I692 L698 L722 A723 D724 L729 G730 L731 I733 L905	L667-L726 HydrophobicContact CD1-CD2 3.81Å; I692-L726 HydrophobicContact CD1-CD1 4.16Å; I692-L726 HydrophobicContact CD1-CD2 3.73Å; L698-L726 HydrophobicContact CD1-CD1 4.24Å; L698-L726 HydrophobicContact CD2-CD1 3.97Å; L722-L726 HydrophobicContact CD1-CG 4.44Å; L722-L726 HydrophobicContact CG-CD1 4.35Å; L722-L726 VanDerWaalsContact O-CG 3.23Å; L722-L726 WeakPolarHBondContact O-CG 3.25Å; L722-L726 PolarHBondContact O-N 3.14Å; A723-L726 PolarHBondContact O-N 3.33Å; D724-L726 VanDerWaalsContact C-N 3.3Å; D724-L726 PolarHBondContact O-N 3.49Å; L726-L729 PolarHBondContact O-N 3.29Å; L726-G730 PolarHBondContact O-N 2.87Å; L726-L731 HydrophobicContact CB-CD1 4.02Å; L726-L731 HydrophobicContact CD2-CD1 3.53Å; L726-L731 HydrophobicContact CG-CD1 4.31Å; L726-L731 WeakPolarHBondContact O-CB 3.31Å; L726-L731 PolarHBondContact O-N 3.22Å; L726-L731 VanDerWaalsContact O-N 3.11Å; L726-I733 HydrophobicContact CB-CD1 4.46Å; L726-L905 HydrophobicContact CD2-CD2 4.32Å
727	Q	93.1	Very high	89.1	Confident	87 Å²	87	43.7 Å²	43.7	41%	0.407	22%	0.222	S	C	.	.	H	α-helix	trans	-66.4	-43.6	173.9	-69.1	-179.3	-17.6	0	0	111.6	A723 D724 H725 L729 G730 I733	A723-Q727 PolarHBondContact O-N 2.87Å; D724-Q727 WeakPolarHBondContact O-CB 3.43Å; D724-Q727 PolarHBondContact O-N 3.22Å; D724-Q727 VanDerWaalsContact O-N 3.08Å; H725-Q727 VanDerWaalsContact C-N 3.35Å; Q727-L729 PolarHBondContact O-N 3.45Å; Q727-G730 WeakPolarHBondContact O-CA 3.41Å; Q727-G730 PolarHBondContact O-N 2.87Å; Q727-I733 HydrophobicContact CG-CB 4.06Å; Q727-I733 HydrophobicContact CG-CG1 3.46Å; Q727-I733 VanDerWaalsContact CG-CG1 3.46Å
728	E	94.9	Very high	89.8	Confident	137 Å²	137	41 Å²	41	64%	0.64	21%	0.213	S	C	*	.	H	α-helix	trans	-57.5	-37.8	175.4	-72.7	177	-176.2	0	0	112.1	R666 D724 H725 G730	R666-E728 IonicContact NH2-OE2 3.34Å; D724-E728 WeakPolarHBondContact O-CG 3.22Å; D724-E728 PolarHBondContact O-N 3.39Å; H725-E728 IonicContact CD2-OE2 3.99Å; H725-E728 PolarHBondContact CD2-OE2 3.3Å; H725-E728 PolarHBondContact O-N 2.97Å; E728-G730 PolarHBondContact O-N 3.24Å
729	L	95.5	Very high	90.4	Very high	45 Å²	45	41.3 Å²	41.3	24%	0.236	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	1.5	176	-67.4	168	0	0	0	113.8	L667 V669 H725 L726 Q727 I902	L667-L729 HydrophobicContact CB-CD1 4.31Å; L667-L729 HydrophobicContact CD1-CD1 4.04Å; V669-L729 HydrophobicContact CB-CD2 3.99Å; V669-L729 HydrophobicContact CG1-CD2 4.29Å; V669-L729 HydrophobicContact CG2-CD1 3.83Å; V669-L729 HydrophobicContact CG2-CD2 3.91Å; H725-L729 WeakPolarHBondContact O-CB 3.37Å; H725-L729 WeakPolarHBondContact O-CD1 3.48Å; H725-L729 WeakPolarHBondContact O-CG 3.47Å; H725-L729 PolarHBondContact O-N 3.12Å; L726-L729 PolarHBondContact O-N 3.29Å; Q727-L729 PolarHBondContact O-N 3.45Å; L729-I902 HydrophobicContact CB-CD1 3.64Å; L729-I902 HydrophobicContact CD1-CD1 3.79Å; L729-I902 HydrophobicContact CD2-CD1 4.44Å; L729-I902 HydrophobicContact CG-CD1 4.18Å
730	G	92.7	Very high	91	Very high	50 Å²	50	40.8 Å²	40.8	52%	0.515	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	13.1	172.9	0	0	0	0	0	115.7	L726 Q727 E728	L726-G730 PolarHBondContact O-N 2.87Å; Q727-G730 WeakPolarHBondContact O-CA 3.41Å; Q727-G730 PolarHBondContact O-N 2.87Å; E728-G730 PolarHBondContact O-N 3.24Å
731	L	94.8	Very high	91.7	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.031	20%	0.199	C	C	.	.			trans	-78.5	128.8	175.1	-68.8	161.8	0	0	0	111.2	L726 I733 V888 T899 V901 I902 L905	L726-L731 HydrophobicContact CB-CD1 4.02Å; L726-L731 HydrophobicContact CD2-CD1 3.53Å; L726-L731 HydrophobicContact CG-CD1 4.31Å; L726-L731 WeakPolarHBondContact O-CB 3.31Å; L726-L731 PolarHBondContact O-N 3.22Å; L726-L731 VanDerWaalsContact O-N 3.11Å; L731-I733 HydrophobicContact CB-CD1 4.45Å; L731-I733 PolarHBondContact O-N 3.38Å; L731-V888 HydrophobicContact CD2-CG1 4.07Å; L731-T899 HydrophobicContact CD2-CG2 4.33Å; L731-V901 HydrophobicContact CD2-CB 4.03Å; L731-V901 HydrophobicContact CD2-CG2 4Å; L731-I902 HydrophobicContact CD1-CD1 4.49Å; L731-L905 HydrophobicContact CD1-CD2 4.18Å
732	E	93.8	Very high	92.2	Very high	72 Å²	72	33.2 Å²	33.2	34%	0.336	18%	0.18	S	C	.	.			trans	-67.1	117.5	170.3	-172.6	179.8	177.1	0	0	109.3	H734 A889 H891 Q892 K1131	E732-H734 IonicContact OE1-CE1 2.87Å; E732-H734 PolarHBondContact OE1-CE1 2.88Å; E732-H734 IonicContact OE1-NE2 3.46Å; E732-H734 PolarHBondContact OE1-NE2 2.96Å; E732-A889 HydrophobicContact CB-CB 4.12Å; E732-A889 HydrophobicContact CG-CB 4.15Å; E732-A889 WeakPolarHBondContact O-CB 3.4Å; E732-A889 PolarHBondContact O-N 3.37Å; E732-H891 IonicContact OE2-CE1 3.96Å; E732-H891 PolarHBondContact OE2-CE1 3.13Å; E732-H891 IonicContact OE2-NE2 3.97Å; E732-H891 PolarHBondContact OE2-NE2 3.42Å; E732-Q892 PolarHBondContact O-NE2 3.07Å; E732-K1131 IonicContact OE1-NZ 2.92Å; E732-K1131 PolarHBondContact OE1-NZ 3.34Å; E732-K1131 IonicContact OE2-NZ 3.86Å; E732-K1131 PolarHBondContact OE2-NZ 2.9Å; E732-K1131 VanDerWaalsContact OE2-NZ 3.12Å
733	I	91.9	Very high	92.4	Very high	25 Å²	25	32.9 Å²	32.9	13%	0.128	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141.7	178.4	-60.5	-56.8	0	0	0	110.2	L726 Q727 L731 D886 M887 V888	L726-I733 HydrophobicContact CB-CD1 4.46Å; Q727-I733 HydrophobicContact CG-CB 4.06Å; Q727-I733 HydrophobicContact CG-CG1 3.46Å; Q727-I733 VanDerWaalsContact CG-CG1 3.46Å; L731-I733 HydrophobicContact CB-CD1 4.45Å; L731-I733 PolarHBondContact O-N 3.38Å; I733-D886 HydrophobicContact CG2-CB 3.59Å; I733-M887 CarbonylContact C-O 3.54Å; I733-M887 VanDerWaalsContact CA-O 3.3Å; I733-M887 WeakPolarHBondContact CA-O 3.25Å; I733-V888 HydrophobicContact CD1-CB 4.38Å; I733-V888 HydrophobicContact CD1-CG2 3.68Å
734	H	91	Very high	92.8	Very high	64 Å²	64	32.9 Å²	32.9	30%	0.296	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	155.3	171.4	-60.6	-44.2	0	0	0	110.7	E732 D886 M887 A889	E732-H734 IonicContact OE1-CE1 2.87Å; E732-H734 PolarHBondContact OE1-CE1 2.88Å; E732-H734 IonicContact OE1-NE2 3.46Å; E732-H734 PolarHBondContact OE1-NE2 2.96Å; H734-D886 CarbonylContact O-C 3.47Å; H734-D886 WeakPolarHBondContact O-CA 3.49Å; H734-M887 HydrophobicContact CB-CE 3.99Å; H734-M887 HydrophobicContact CB-CG 4.26Å; H734-M887 HydrophobicContact CB-SD 3.95Å; H734-M887 PolarHBondContact N-O 3.08Å; H734-M887 PolarHBondContact O-N 3.25Å; H734-A889 WeakPolarHBondContact NE2-CB 3.07Å
735	R	89.6	Confident	93.1	Very high	48 Å²	48	33.8 Å²	33.8	18%	0.181	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.3	175	-83.1	-168.3	130.8	-160.5	-9.8	112.7	R699 E701 D810 G811 V812 E884 Y885 D886	R699-R735 PolarHBondContact O-NH2 2.76Å; E701-R735 IonicContact OE2-CZ 3.7Å; E701-R735 IonicContact OE2-NH1 2.73Å; E701-R735 PolarHBondContact OE2-NH1 3.19Å; E701-R735 IonicContact OE2-NH2 3.95Å; E701-R735 PolarHBondContact OE2-NH2 2.97Å; R735-D810 IonicContact NH1-OD2 2.62Å; R735-G811 WeakPolarHBondContact O-CA 3.3Å; R735-V812 PolarHBondContact O-N 3.31Å; R735-E884 IonicContact NH1-OE2 2.77Å; R735-Y885 WeakPolarHBondContact CA-O 3.44Å; R735-D886 WeakPolarHBondContact CG-OD1 3.38Å; R735-D886 IonicContact NE-OD1 2.76Å; R735-D886 PolarHBondContact NE-OD1 2.89Å
736	F	91.1	Very high	93.1	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.013	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	156	175.9	-81.5	-3	0	0	0	111.4	V812 E884 Y885 M887 T962 N963 E964 P965	F736-V812 HydrophobicContact CD1-CB 4.43Å; F736-E884 CarbonylContact O-C 3.57Å; F736-E884 VanDerWaalsContact O-CA 3.28Å; F736-E884 WeakPolarHBondContact O-CA 3.33Å; F736-Y885 HydrophobicContact CB-CE1 4.18Å; F736-Y885 HydrophobicContact CB-CE2 4.24Å; F736-Y885 PolarHBondContact N-O 3.49Å; F736-Y885 PolarHBondContact O-N 2.97Å; F736-M887 HydrophobicContact CD2-CE 4.13Å; F736-M887 HydrophobicContact CD2-CG 3.9Å; F736-M887 HydrophobicContact CE1-CE 3.79Å; F736-M887 HydrophobicContact CE2-CE 3.33Å; F736-M887 HydrophobicContact CE2-CG 4.06Å; F736-M887 HydrophobicContact CG-CG 4.22Å; F736-M887 HydrophobicContact CZ-CE 3.11Å; F736-M887 HydrophobicContact CZ-CG 4.48Å; F736-T962 HydrophobicContact CE2-CG2 3.74Å; F736-T962 HydrophobicContact CZ-CG2 3.82Å; F736-N963 WeakPolarHBondContact CE1-O 3.35Å; F736-E964 WeakPolarHBondContact CE2-O 3.06Å; F736-E964 VanDerWaalsContact CZ-N 3.27Å; F736-E964 VanDerWaalsContact CZ-O 3.28Å; F736-E964 WeakPolarHBondContact CZ-O 3.37Å; F736-P965 HydrophobicContact CB-CG 4.04Å; F736-P965 HydrophobicContact CD2-CB 4.38Å; F736-P965 HydrophobicContact CD2-CG 4.07Å; F736-P965 HydrophobicContact CG-CG 4.13Å
737	K	87.5	Confident	93.1	Very high	12 Å²	12	37.6 Å²	37.6	5%	0.052	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131.9	179	-178.5	-171.9	177.8	-178.1	0	111	V809 V812 S855 A882 I883 E884 P965	K737-V809 HydrophobicContact CD-CG1 3.8Å; K737-V809 HydrophobicContact CD-CG2 4.42Å; K737-V812 PolarHBondContact N-O 3.36Å; K737-V812 VanDerWaalsContact N-O 3.1Å; K737-S855 PolarHBondContact NZ-OG 3.49Å; K737-A882 HydrophobicContact CD-CB 4.2Å; K737-A882 HydrophobicContact CG-CB 4.09Å; K737-I883 WeakPolarHBondContact CA-O 3.39Å; K737-E884 HydrophobicContact CB-CG 4.28Å; K737-E884 HydrophobicContact CG-CG 4.34Å; K737-P965 WeakPolarHBondContact O-CG 3.41Å
738	T	87.4	Confident	93.3	Very high	40 Å²	40	34.7 Å²	34.7	25%	0.245	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	171.2	166	61.8	0	0	0	0	110.6	A882 I883 Y885 P965	T738-A882 CarbonylContact O-C 3.51Å; T738-A882 VanDerWaalsContact O-CA 3.24Å; T738-A882 WeakPolarHBondContact O-CA 3.46Å; T738-A882 WeakPolarHBondContact O-CB 3.37Å; T738-I883 PolarHBondContact N-O 3.03Å; T738-I883 PolarHBondContact O-N 2.94Å; T738-I883 WeakPolarHBondContact OG1-CG2 3.24Å; T738-Y885 HydrophobicContact CG2-CE1 3.98Å; T738-P965 HydrophobicContact CG2-CB 4.13Å; T738-P965 HydrophobicContact CG2-CG 3.93Å
739	G	87.7	Confident	93.4	Very high	27 Å²	27	28.9 Å²	28.9	28%	0.278	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	152.1	-176.8	0	0	0	0	0	114.2	S853 Y881	G739-S853 PolarHBondContact O-OG 2.92Å; G739-Y881 CarbonylContact C-O 3.49Å; G739-Y881 WeakPolarHBondContact CA-O 3.47Å
740	T	92.3	Very high	93.5	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.025	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.1	-174.9	-153.2	0	0	0	0	109.4	C586 R743 G880 Y881	C586-T740 PolarHBondContact SG-OG1 2.97Å; C586-T740 VanDerWaalsContact SG-OG1 3.42Å; T740-R743 PolarHBondContact OG1-NH1 3.06Å; T740-R743 PolarHBondContact OG1-NH2 3.05Å; T740-G880 VanDerWaalsContact O-CA 3.28Å; T740-G880 WeakPolarHBondContact O-CA 3.29Å; T740-Y881 HydrophobicContact CG2-CD1 3.62Å; T740-Y881 HydrophobicContact CG2-CD2 4.15Å; T740-Y881 HydrophobicContact CG2-CE1 3.51Å; T740-Y881 HydrophobicContact CG2-CE2 4.04Å; T740-Y881 HydrophobicContact CG2-CG 3.93Å; T740-Y881 PolarHBondContact N-O 3.46Å; T740-Y881 PolarHBondContact O-N 3.44Å; T740-Y881 VanDerWaalsContact O-N 3.17Å
741	P	95.4	Very high	93.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.171	C	C	.	.			trans	-77.1	168.4	177.9	33.5	-36.3	0	0	0	111.6	R743 Y848 V849 L852	P741-R743 PolarHBondContact O-NH1 2.77Å; P741-Y848 WeakPolarHBondContact CD-OH 3.26Å; P741-Y848 HydrophobicContact CG-CD1 4.06Å; P741-Y848 HydrophobicContact CG-CD2 3.81Å; P741-Y848 HydrophobicContact CG-CE1 3.6Å; P741-Y848 HydrophobicContact CG-CE2 3.31Å; P741-Y848 HydrophobicContact CG-CG 4.15Å; P741-V849 HydrophobicContact CB-CB 4.44Å; P741-V849 WeakPolarHBondContact CB-O 3.42Å; P741-V849 WeakPolarHBondContact CG-O 3.4Å; P741-L852 WeakPolarHBondContact CA-O 3.4Å; P741-L852 HydrophobicContact CB-CB 4.27Å; P741-L852 WeakPolarHBondContact CB-O 3.4Å
742	P	95.8	Very high	93.8	Very high	1 Å²	1	39 Å²	39	1%	0.006	21%	0.211	C	C	.	.			trans	-62.9	158.2	166.2	28	-35.7	0	0	0	111.9	V849 L852 L865 M876 R878	P742-V849 PolarHBondContact O-N 3.34Å; P742-L852 HydrophobicContact CG-CD2 4.1Å; P742-L865 HydrophobicContact CB-CD1 4.24Å; P742-L865 HydrophobicContact CG-CD1 4.13Å; P742-L865 HydrophobicContact CG-CD2 4.07Å; P742-L865 HydrophobicContact CG-CG 4.3Å; P742-M876 HydrophobicContact CB-CE 4.44Å; P742-M876 HydrophobicContact CB-CG 4.09Å; P742-M876 HydrophobicContact CB-SD 4.13Å; P742-R878 CarbonylContact C-O 3.55Å; P742-R878 WeakPolarHBondContact CA-O 3.47Å; P742-R878 VanDerWaalsContact CB-O 3.31Å; P742-R878 WeakPolarHBondContact CB-O 3.38Å
743	R	96.1	Very high	94	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.8	166.4	-79.1	56.8	167.7	-171.6	-7.6	108.6	P585 C586 T740 P741 E840 V847 Y848 M877 R878	P585-R743 PolarHBondContact O-NH2 3.05Å; P585-R743 VanDerWaalsContact O-NH2 3.07Å; C586-R743 PolarHBondContact O-NH2 2.95Å; T740-R743 PolarHBondContact OG1-NH1 3.06Å; T740-R743 PolarHBondContact OG1-NH2 3.05Å; P741-R743 PolarHBondContact O-NH1 2.77Å; R743-E840 IonicContact CZ-OE1 2.77Å; R743-E840 IonicContact NE-OE1 3.04Å; R743-E840 PolarHBondContact NE-OE1 2.94Å; R743-E840 IonicContact NH2-OE1 2.97Å; R743-E840 PolarHBondContact NH2-OE1 3.49Å; R743-V847 WeakPolarHBondContact CA-O 3.28Å; R743-Y848 VanDerWaalsContact CZ-CE2 3.5Å; R743-M877 PolarHBondContact O-N 3.29Å; R743-R878 HydrophobicContact CB-CB 4.02Å; R743-R878 HydrophobicContact CB-CG 4.25Å; R743-R878 PolarHBondContact N-O 2.78Å; R743-R878 PolarHBondContact O-N 2.79Å
744	V	97.4	Very high	94.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	156	178.2	-63.7	0	0	0	0	110.3	I749 V847 V849 L865 L871 A874 E875	V744-I749 HydrophobicContact CG2-CD1 3.71Å; V744-I749 HydrophobicContact CG2-CG1 4.22Å; V744-V847 HydrophobicContact CG2-CB 4.12Å; V744-V847 HydrophobicContact CG2-CG1 4.49Å; V744-V847 PolarHBondContact N-O 3.4Å; V744-V847 WeakPolarHBondContact O-CB 3.33Å; V744-V847 PolarHBondContact O-N 2.9Å; V744-V849 HydrophobicContact CG1-CG2 4.17Å; V744-V849 HydrophobicContact CG2-CG2 3.84Å; V744-L865 HydrophobicContact CG1-CD1 3.73Å; V744-L865 HydrophobicContact CG1-CD2 3.97Å; V744-L865 HydrophobicContact CG1-CG 4.49Å; V744-L871 HydrophobicContact CG2-CD2 4.47Å; V744-A874 HydrophobicContact CB-CB 4.29Å; V744-A874 HydrophobicContact CG1-CB 4.17Å; V744-E875 CarbonylContact C-O 3.58Å; V744-E875 VanDerWaalsContact CA-O 3.25Å; V744-E875 WeakPolarHBondContact CA-O 3.37Å
745	K	96.7	Very high	94.5	Very high	73 Å²	73	41.3 Å²	41.3	32%	0.317	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	125.6	179.8	-171.4	179.4	-178.4	172.1	0	111.5	G747 S748 E845 E875 M877	K745-G747 PolarHBondContact O-N 2.94Å; K745-S748 WeakPolarHBondContact O-CB 3.48Å; K745-S748 PolarHBondContact O-N 2.75Å; K745-S748 PolarHBondContact O-OG 3.31Å; K745-E845 CarbonylContact C-O 3.58Å; K745-E845 WeakPolarHBondContact CA-O 3.35Å; K745-E845 HydrophobicContact CG-CB 4.01Å; K745-E875 HydrophobicContact CB-CB 4.11Å; K745-E875 HydrophobicContact CD-CB 4.39Å; K745-E875 WeakPolarHBondContact CD-OE2 3.48Å; K745-E875 PolarHBondContact N-O 2.87Å; K745-E875 IonicContact NZ-OE1 3.95Å; K745-E875 IonicContact NZ-OE2 3.91Å; K745-E875 PolarHBondContact NZ-OE2 3.31Å; K745-M877 VanDerWaalsContact CA-SD 3.55Å; K745-M877 HydrophobicContact CB-CG 3.87Å; K745-M877 HydrophobicContact CB-SD 3.66Å; K745-M877 HydrophobicContact CG-SD 4.02Å
746	S	95.5	Very high	94.9	Very high	28 Å²	28	43.8 Å²	43.8	20%	0.196	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-53.7	-49.5	-176.6	-174.6	0	0	0	0	112.6	S748 I749 Y751 E845	S746-S748 PolarHBondContact O-N 3.48Å; S746-I749 PolarHBondContact O-N 3.13Å; S746-I749 VanDerWaalsContact O-N 3.08Å; S746-Y751 PolarHBondContact OG-OH 2.81Å; S746-E845 WeakPolarHBondContact CB-O 3.23Å; S746-E845 PolarHBondContact N-O 3.26Å
747	G	94.6	Very high	95.1	Very high	66 Å²	66	44.6 Å²	44.6	68%	0.68	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-63	-10.8	178.9	0	0	0	0	0	116	K745 E845	K745-G747 PolarHBondContact O-N 2.94Å; G747-E845 PolarHBondContact N-OE2 3.49Å
748	S	97	Very high	95.5	Very high	26 Å²	26	47.6 Å²	47.6	18%	0.182	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-94.3	-5.8	176.7	72.3	0	0	0	0	114.1	K745 S746 A874 E875	K745-S748 WeakPolarHBondContact O-CB 3.48Å; K745-S748 PolarHBondContact O-N 2.75Å; K745-S748 PolarHBondContact O-OG 3.31Å; S746-S748 PolarHBondContact O-N 3.48Å; S748-A874 WeakPolarHBondContact OG-CA 3.38Å; S748-E875 PolarHBondContact OG-N 3.19Å
749	I	97.7	Very high	95.8	Very high	14 Å²	14	46.5 Å²	46.5	7%	0.072	26%	0.258	C	S	.	.			trans	-90.3	131.7	-176.8	-57.2	177	0	0	0	110.6	V744 S746 Y751 L837 V847 L871	V744-I749 HydrophobicContact CG2-CD1 3.71Å; V744-I749 HydrophobicContact CG2-CG1 4.22Å; S746-I749 PolarHBondContact O-N 3.13Å; S746-I749 VanDerWaalsContact O-N 3.08Å; I749-Y751 HydrophobicContact CB-CD2 4.3Å; I749-Y751 HydrophobicContact CB-CE1 4.16Å; I749-Y751 HydrophobicContact CB-CE2 3.95Å; I749-Y751 HydrophobicContact CD1-CE1 4.22Å; I749-Y751 HydrophobicContact CG2-CD1 3.76Å; I749-Y751 HydrophobicContact CG2-CD2 4.28Å; I749-Y751 HydrophobicContact CG2-CE1 3.7Å; I749-Y751 HydrophobicContact CG2-CE2 4.24Å; I749-Y751 HydrophobicContact CG2-CG 4.08Å; I749-Y751 PolarHBondContact O-N 2.82Å; I749-Y751 VanDerWaalsContact O-N 3.16Å; I749-L837 HydrophobicContact CD1-CD1 4.35Å; I749-L837 HydrophobicContact CG2-CD1 3.95Å; I749-V847 HydrophobicContact CD1-CB 4.07Å; I749-V847 HydrophobicContact CD1-CG1 4.01Å; I749-V847 HydrophobicContact CD1-CG2 4.05Å; I749-L871 HydrophobicContact CB-CD2 4.41Å; I749-L871 HydrophobicContact CD1-CD2 4.14Å; I749-L871 HydrophobicContact CG1-CD2 3.84Å; I749-L871 HydrophobicContact CG2-CD2 3.97Å
750	D	97.8	Very high	96.1	Very high	61 Å²	61	47.1 Å²	47.1	33%	0.326	26%	0.255	S	S	.	.			trans	-85.6	81.9	169.6	-173.8	5	0	0	0	110.7	K752 K753 G870	D750-K752 PolarHBondContact O-N 2.97Å; D750-K752 WeakPolarHBondContact OD1-CB 3.38Å; D750-K752 PolarHBondContact OD1-N 2.72Å; D750-K753 PolarHBondContact O-N 2.91Å; D750-K753 VanDerWaalsContact O-N 3.11Å; D750-K753 VanDerWaalsContact OD2-CE 3.32Å; D750-K753 WeakPolarHBondContact OD2-CE 3.41Å; D750-G870 PolarHBondContact N-O 3.38Å
751	Y	97.3	Very high	96	Very high	53 Å²	53	56 Å²	56	21%	0.208	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-60.6	-14.9	179.3	-66.1	-71.1	0	0	0	114.4	S746 I749 K753 T754 W783	S746-Y751 PolarHBondContact OG-OH 2.81Å; I749-Y751 HydrophobicContact CB-CD2 4.3Å; I749-Y751 HydrophobicContact CB-CE1 4.16Å; I749-Y751 HydrophobicContact CB-CE2 3.95Å; I749-Y751 HydrophobicContact CD1-CE1 4.22Å; I749-Y751 HydrophobicContact CG2-CD1 3.76Å; I749-Y751 HydrophobicContact CG2-CD2 4.28Å; I749-Y751 HydrophobicContact CG2-CE1 3.7Å; I749-Y751 HydrophobicContact CG2-CE2 4.24Å; I749-Y751 HydrophobicContact CG2-CG 4.08Å; I749-Y751 PolarHBondContact O-N 2.82Å; I749-Y751 VanDerWaalsContact O-N 3.16Å; Y751-K753 PolarHBondContact O-N 3.02Å; Y751-T754 WeakPolarHBondContact CA-OG1 3.42Å; Y751-T754 PolarHBondContact O-N 2.97Å; Y751-T754 PolarHBondContact O-OG1 3.36Å; Y751-T754 VanDerWaalsContact O-OG1 3.07Å; Y751-W783 HydrophobicContact CD1-CB 4.3Å; Y751-W783 AromaticContact CD1-CD1 3.59Å; Y751-W783 AromaticContact CD1-CD2 3.36Å; Y751-W783 HydrophobicContact CD1-CD2 3.36Å; Y751-W783 AromaticContact CD1-CE2 3.37Å; Y751-W783 AromaticContact CD1-CE3 3.92Å; Y751-W783 HydrophobicContact CD1-CE3 3.92Å; Y751-W783 AromaticContact CD1-CG 3.52Å; Y751-W783 HydrophobicContact CD1-CG 3.52Å; Y751-W783 HydrophobicContact CD1-CH2 4.44Å; Y751-W783 AromaticContact CD1-CZ2 3.95Å; Y751-W783 HydrophobicContact CD1-CZ2 3.95Å; Y751-W783 HydrophobicContact CD1-CZ3 4.42Å; Y751-W783 AromaticContact CD1-NE1 3.49Å; Y751-W783 AromaticContact CE1-CD2 3.36Å; Y751-W783 HydrophobicContact CE1-CD2 3.36Å; Y751-W783 AromaticContact CE1-CE2 3.63Å; Y751-W783 AromaticContact CE1-CE3 3.38Å; Y751-W783 HydrophobicContact CE1-CE3 3.38Å; Y751-W783 AromaticContact CE1-CG 3.91Å; Y751-W783 HydrophobicContact CE1-CG 3.91Å; Y751-W783 AromaticContact CE1-CH2 3.95Å; Y751-W783 HydrophobicContact CE1-CH2 3.95Å; Y751-W783 AromaticContact CE1-CZ2 3.93Å; Y751-W783 HydrophobicContact CE1-CZ2 3.93Å; Y751-W783 AromaticContact CE1-CZ3 3.68Å; Y751-W783 HydrophobicContact CE1-CZ3 3.68Å; Y751-W783 HydrophobicContact CG-CD2 4.42Å; Y751-W783 HydrophobicContact CG-CZ2 4.36Å; Y751-W783 AromaticContact CG-NE1 3.95Å
752	K	96.6	Very high	95.7	Very high	200 Å²	200	64.1 Å²	64.1	87%	0.87	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-68.5	-22.3	176.8	-62.1	176.8	-179.1	171.9	0	112.2	D750	D750-K752 PolarHBondContact O-N 2.97Å; D750-K752 WeakPolarHBondContact OD1-CB 3.38Å; D750-K752 PolarHBondContact OD1-N 2.72Å
753	K	96.6	Very high	95.5	Very high	87 Å²	87	66.5 Å²	66.5	38%	0.378	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-92.3	-1.1	177.1	-62.1	-179.7	179.3	172.1	0	113.4	D750 Y751 E869 E872	D750-K753 PolarHBondContact O-N 2.91Å; D750-K753 VanDerWaalsContact O-N 3.11Å; D750-K753 VanDerWaalsContact OD2-CE 3.32Å; D750-K753 WeakPolarHBondContact OD2-CE 3.41Å; Y751-K753 PolarHBondContact O-N 3.02Å; K753-E869 HydrophobicContact CB-CG 3.85Å; K753-E869 HydrophobicContact CD-CG 4.13Å; K753-E872 IonicContact NZ-OE1 2.65Å; K753-E872 PolarHBondContact NZ-OE1 2.81Å; K753-E872 IonicContact NZ-OE2 3.92Å; K753-E872 PolarHBondContact NZ-OE2 2.81Å
754	T	97.3	Very high	95.2	Very high	18 Å²	18	68.2 Å²	68.2	11%	0.11	36%	0.356	C	S	.	.	S	Bend	trans	-111.3	159.7	-179.7	68.6	0	0	0	0	110.8	Y751 W783 L837	Y751-T754 WeakPolarHBondContact CA-OG1 3.42Å; Y751-T754 PolarHBondContact O-N 2.97Å; Y751-T754 PolarHBondContact O-OG1 3.36Å; Y751-T754 VanDerWaalsContact O-OG1 3.07Å; T754-W783 WeakPolarHBondContact OG1-CB 3.46Å; T754-L837 HydrophobicContact CG2-CD1 4.06Å
755	E	97.5	Very high	95.1	Very high	105 Å²	105	68.2 Å²	68.2	49%	0.491	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.9	178.3	178.2	-170.6	161.6	0	0	110	Q757 W783 L784	E755-Q757 PolarHBondContact OE1-NE2 3.12Å; E755-W783 CarbonylContact O-C 3.59Å; E755-W783 WeakPolarHBondContact O-CA 3.48Å; E755-L784 HydrophobicContact CB-CB 4.14Å; E755-L784 PolarHBondContact N-O 2.94Å; E755-L784 WeakPolarHBondContact O-CB 3.3Å; E755-L784 PolarHBondContact O-N 3.5Å
756	I	97.1	Very high	95.2	Very high	100 Å²	100	64.7 Å²	64.7	51%	0.513	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	137.3	177.3	-162.9	175.3	0	0	0	111.6	P781	I756-P781 HydrophobicContact CD1-CB 4.03Å; I756-P781 HydrophobicContact CD1-CG 3.91Å; I756-P781 HydrophobicContact CG1-CB 3.68Å; I756-P781 HydrophobicContact CG1-CG 4Å
757	Q	95.2	Very high	95.2	Very high	20 Å²	20	63.4 Å²	63.4	9%	0.093	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	93.8	176.8	-66.2	-62.8	-48.9	0	0	108.3	E755 C782 L784 F836	E755-Q757 PolarHBondContact OE1-NE2 3.12Å; Q757-C782 WeakPolarHBondContact CA-O 3.47Å; Q757-C782 WeakPolarHBondContact CB-O 3.28Å; Q757-C782 WeakPolarHBondContact CB-SG 3.27Å; Q757-C782 PolarHBondContact N-O 2.76Å; Q757-C782 PolarHBondContact O-N 3.17Å; Q757-L784 HydrophobicContact CG-CB 4Å; Q757-F836 HydrophobicContact CG-CE1 4.38Å
758	P	95.7	Very high	95.2	Very high	75 Å²	75	62.9 Å²	62.9	49%	0.487	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-74.3	159.9	-179.1	31.5	-35.1	0	0	0	111.9
759	G	93.9	Very high	94.9	Very high	17 Å²	17	65.2 Å²	65.2	18%	0.175	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-72	169.8	166.4	0	0	0	0	0	112.6	M620	M620-G759 CarbonylContact O-C 3.49Å; M620-G759 WeakPolarHBondContact O-CA 3.42Å
760	D	94	Very high	94.7	Very high	40 Å²	40	65.3 Å²	65.3	21%	0.214	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-75.4	135.3	178	-73.4	-18.5	0	0	0	110.9	M620 M622 K762 Y775 Q779	M620-D760 PolarHBondContact O-N 3.01Å; M622-D760 WeakPolarHBondContact CB-OD2 3.27Å; M622-D760 PolarHBondContact N-OD2 2.98Å; D760-K762 VanDerWaalsContact C-N 3.33Å; D760-Y775 VanDerWaalsContact O-CE1 3.27Å; D760-Y775 WeakPolarHBondContact O-CE1 3.46Å; D760-Y775 PolarHBondContact O-OH 3.44Å; D760-Q779 PolarHBondContact O-NE2 2.92Å
761	E	90.3	Very high	94.4	Very high	189 Å²	189	65.1 Å²	65.1	88%	0.883	32%	0.321	S	S	*	.	S	Bend	trans	-71.4	-29.7	173.2	-64	178.3	178	0	0	112.5
762	K	89.2	Confident	94.2	Very high	171 Å²	171	66.3 Å²	66.3	74%	0.743	33%	0.331	S	S	*	.	S	Bend	trans	-82.3	131.5	-178	-70.9	-175.4	179.7	-179.5	0	110.4	D760 N764 Y775	D760-K762 VanDerWaalsContact C-N 3.33Å; K762-N764 PolarHBondContact O-N 2.62Å; K762-N764 PolarHBondContact O-ND2 3.39Å; K762-Y775 PolarHBondContact O-OH 3Å
763	P	90.9	Very high	94	Very high	52 Å²	52	62 Å²	62	34%	0.338	33%	0.326	S	S	.	.			trans	-53.3	125.3	179.1	-30.2	36.4	0	0	0	113.9	D772 Y775	P763-D772 HydrophobicContact CB-CB 3.74Å; P763-D772 HydrophobicContact CG-CB 4.08Å; P763-Y775 VanDerWaalsContact CA-CG 3.49Å; P763-Y775 HydrophobicContact CB-CD1 4.11Å; P763-Y775 HydrophobicContact CB-CD2 4.07Å; P763-Y775 HydrophobicContact CB-CG 3.73Å; P763-Y775 HydrophobicContact CG-CD1 3.95Å; P763-Y775 HydrophobicContact CG-CG 3.98Å
764	N	91	Very high	93.8	Very high	37 Å²	37	63.1 Å²	63.1	20%	0.198	33%	0.332	C	S	.	.			trans	-138.8	130.3	169	-72.1	-78.5	0	0	0	108.4	M620 L634 K762 Y775	M620-N764 HydrophobicContact CG-CB 4.32Å; M620-N764 WeakPolarHBondContact CG-O 3.48Å; L634-N764 HydrophobicContact CD1-CB 3.53Å; L634-N764 HydrophobicContact CD2-CB 4.11Å; L634-N764 HydrophobicContact CG-CB 4.5Å; K762-N764 PolarHBondContact O-N 2.62Å; K762-N764 PolarHBondContact O-ND2 3.39Å; N764-Y775 VanDerWaalsContact O-CE2 3.22Å; N764-Y775 WeakPolarHBondContact O-CE2 3.45Å
765	H	95.5	Very high	93.7	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.331	C	S	.	.			trans	-120.6	162	178.7	-72.7	-62.1	0	0	0	109.7	R600 D614 L634 T770 P771 D772 Y775	R600-H765 PolarHBondContact NE-O 2.83Å; R600-H765 PolarHBondContact NH2-O 3.47Å; D614-H765 WeakPolarHBondContact OD1-CA 3.4Å; D614-H765 IonicContact OD1-ND1 2.76Å; D614-H765 WeakPolarHBondContact OD2-CB 3.49Å; D614-H765 IonicContact OD2-CG 2.73Å; D614-H765 IonicContact OD2-ND1 3.12Å; L634-H765 VanDerWaalsContact CD2-C 3.48Å; L634-H765 WeakPolarHBondContact CD2-O 3.12Å; H765-T770 HydrophobicContact CB-CG2 4.39Å; H765-T770 WeakPolarHBondContact ND1-CG2 3.18Å; H765-P771 PolarHBondContact NE2-O 2.79Å; H765-D772 IonicContact CD2-OD1 3.02Å; H765-Y775 AromaticContact CE1-CD2 3.73Å; H765-Y775 AromaticContact NE2-CD2 3.83Å
766	F	97.7	Very high	93.5	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.317	C	S	.	.	S	Bend	trans	-85.9	-37.4	167.1	-84.4	-74.5	0	0	0	111.5	V599 R600 I613 D614 M620 L634 A636	V599-F766 HydrophobicContact CB-CD1 3.6Å; V599-F766 HydrophobicContact CB-CE1 3.8Å; V599-F766 HydrophobicContact CB-CG 4.38Å; V599-F766 HydrophobicContact CG1-CB 3.85Å; V599-F766 HydrophobicContact CG1-CD1 3.34Å; V599-F766 HydrophobicContact CG1-CD2 4.46Å; V599-F766 HydrophobicContact CG1-CE1 3.95Å; V599-F766 HydrophobicContact CG1-CG 3.64Å; V599-F766 HydrophobicContact CG2-CD1 4.44Å; V599-F766 HydrophobicContact CG2-CE1 4.23Å; R600-F766 WeakPolarHBondContact CD-O 3.31Å; R600-F766 HydrophobicContact CG-CD1 4.36Å; R600-F766 PolarHBondContact NE-O 2.86Å; R600-F766 PolarHBondContact NH1-O 2.81Å; I613-F766 HydrophobicContact CG1-CD2 4.4Å; I613-F766 HydrophobicContact CG2-CB 3.85Å; I613-F766 HydrophobicContact CG2-CD2 3.44Å; I613-F766 VanDerWaalsContact CG2-CD2 3.44Å; I613-F766 HydrophobicContact CG2-CE2 4.26Å; I613-F766 HydrophobicContact CG2-CG 3.91Å; D614-F766 PolarHBondContact OD1-N 3.13Å; D614-F766 PolarHBondContact OD2-N 3.35Å; M620-F766 HydrophobicContact CE-CD2 4.35Å; M620-F766 HydrophobicContact SD-CD2 4.18Å; M620-F766 HydrophobicContact SD-CE2 3.95Å; L634-F766 HydrophobicContact CB-CD1 4.5Å; L634-F766 HydrophobicContact CB-CE1 3.83Å; L634-F766 HydrophobicContact CB-CE2 4.37Å; L634-F766 HydrophobicContact CB-CZ 3.78Å; L634-F766 HydrophobicContact CD2-CD1 4.19Å; L634-F766 HydrophobicContact CD2-CD2 3.89Å; L634-F766 HydrophobicContact CD2-CE1 4.21Å; L634-F766 HydrophobicContact CD2-CE2 3.93Å; L634-F766 HydrophobicContact CD2-CG 4.05Å; L634-F766 HydrophobicContact CD2-CZ 4.11Å; L634-F766 HydrophobicContact CG-CD2 4.46Å; L634-F766 HydrophobicContact CG-CE1 4.28Å; L634-F766 HydrophobicContact CG-CE2 3.99Å; L634-F766 HydrophobicContact CG-CZ 3.91Å; L634-F766 WeakPolarHBondContact O-CZ 3.38Å; A636-F766 HydrophobicContact CB-CD2 4.32Å; A636-F766 HydrophobicContact CB-CE2 3.69Å
767	S	96.8	Very high	93	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	-76.1	148	174.7	-168.9	0	0	0	0	111.8	R600 D603 D614 Q769 T770	R600-S767 VanDerWaalsContact NH1-C 3.32Å; R600-S767 PolarHBondContact NH1-O 3.11Å; R600-S767 VanDerWaalsContact NH1-O 3.13Å; D603-S767 VanDerWaalsContact CG-CA 3.46Å; D603-S767 WeakPolarHBondContact OD1-CA 3.43Å; D603-S767 WeakPolarHBondContact OD1-CB 3.3Å; D603-S767 PolarHBondContact OD1-OG 3.34Å; D603-S767 VanDerWaalsContact OD2-CA 3.31Å; D603-S767 WeakPolarHBondContact OD2-CA 3.32Å; D603-S767 PolarHBondContact OD2-OG 3.12Å; D614-S767 VanDerWaalsContact OD2-CB 3.29Å; D614-S767 WeakPolarHBondContact OD2-CB 3.07Å; D614-S767 PolarHBondContact OD2-N 2.9Å; S767-Q769 VanDerWaalsContact C-N 3.25Å; S767-Q769 PolarHBondContact OG-N 3.33Å; S767-T770 WeakPolarHBondContact CB-OG1 3.21Å
768	Y	93.3	Very high	92.8	Very high	55 Å²	55	68.1 Å²	68.1	22%	0.216	36%	0.362	C	S	.	.	S	Bend	trans	-78.6	-13.2	167.9	-67.9	-80.9	0	0	0	112.7	D603 A604 H981 D982 A984 D985	D603-Y768 VanDerWaalsContact OD2-CD2 3.28Å; D603-Y768 WeakPolarHBondContact OD2-CD2 3.39Å; D603-Y768 PolarHBondContact OD2-N 3.39Å; A604-Y768 HydrophobicContact CB-CE2 4.33Å; Y768-H981 PolarHBondContact OH-O 3.22Å; Y768-D982 PolarHBondContact OH-O 3.19Å; Y768-A984 HydrophobicContact CE2-CB 4.31Å; Y768-A984 PolarHBondContact OH-N 3.46Å; Y768-D985 HydrophobicContact CD1-CB 4.16Å; Y768-D985 HydrophobicContact CD2-CB 3.9Å; Y768-D985 HydrophobicContact CE1-CB 3.97Å; Y768-D985 VanDerWaalsContact CE1-CG 3.49Å; Y768-D985 WeakPolarHBondContact CE1-OD1 3.5Å; Y768-D985 HydrophobicContact CE2-CB 3.72Å; Y768-D985 HydrophobicContact CG-CB 4.1Å; Y768-D985 PolarHBondContact OH-N 3.45Å; Y768-D985 PolarHBondContact OH-OD1 3.08Å
769	Q	91.2	Very high	92.8	Very high	76 Å²	76	66.3 Å²	66.3	36%	0.355	35%	0.347	S	S	.	.	S	Bend	trans	-96.5	-22.2	-176.4	-64	166.2	-3.3	0	0	112.9	S767 P771 N1002	S767-Q769 VanDerWaalsContact C-N 3.25Å; S767-Q769 PolarHBondContact OG-N 3.33Å; Q769-P771 WeakPolarHBondContact O-CD 3.42Å; Q769-N1002 VanDerWaalsContact CD-OD1 3.31Å; Q769-N1002 PolarHBondContact NE2-ND2 2.93Å; Q769-N1002 PolarHBondContact NE2-OD1 2.78Å; Q769-N1002 VanDerWaalsContact NE2-OD1 3.08Å
770	T	94	Very high	92.9	Very high	15 Å²	15	67.6 Å²	67.6	9%	0.092	35%	0.35	C	S	.	.	S	Bend	trans	-66	120	179.4	-53.1	0	0	0	0	110	D614 H765 S767 Q774	D614-T770 HydrophobicContact CB-CG2 4.08Å; D614-T770 WeakPolarHBondContact OD2-CB 3.38Å; D614-T770 PolarHBondContact OD2-OG1 3.26Å; H765-T770 HydrophobicContact CB-CG2 4.39Å; H765-T770 WeakPolarHBondContact ND1-CG2 3.18Å; S767-T770 WeakPolarHBondContact CB-OG1 3.21Å; T770-Q774 HydrophobicContact CG2-CB 4.08Å
771	P	92.2	Very high	93	Very high	57 Å²	57	67.1 Å²	67.1	37%	0.37	35%	0.348	S	S	.	.			trans	-73.2	143.4	178.2	30.5	-33.9	0	0	0	110.3	H765 Q769 S773 Q774	H765-P771 PolarHBondContact NE2-O 2.79Å; Q769-P771 WeakPolarHBondContact O-CD 3.42Å; P771-S773 PolarHBondContact O-N 3.11Å; P771-Q774 HydrophobicContact CG-CG 3.94Å; P771-Q774 WeakPolarHBondContact O-CB 3.41Å; P771-Q774 PolarHBondContact O-N 3.27Å
772	D	92	Very high	93.2	Very high	79 Å²	79	58.2 Å²	58.2	42%	0.422	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-60.8	-17.3	-178.5	-66.5	-4.1	0	0	0	112.6	P763 H765 Q774 Y775 K1076	P763-D772 HydrophobicContact CB-CB 3.74Å; P763-D772 HydrophobicContact CG-CB 4.08Å; H765-D772 IonicContact CD2-OD1 3.02Å; D772-Q774 PolarHBondContact O-N 3.27Å; D772-Y775 WeakPolarHBondContact O-CB 3.28Å; D772-Y775 PolarHBondContact O-N 3.48Å; D772-Y775 VanDerWaalsContact O-N 3.1Å; D772-K1076 IonicContact OD1-NZ 3.69Å; D772-K1076 PolarHBondContact OD1-NZ 3.01Å
773	S	92.6	Very high	93.6	Very high	110 Å²	110	51.8 Å²	51.8	77%	0.769	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-67.6	-18	172.3	62.5	0	0	0	0	114.1	P771 Y775	P771-S773 PolarHBondContact O-N 3.11Å; S773-Y775 VanDerWaalsContact C-N 3.29Å
774	Q	93.4	Very high	94	Very high	109 Å²	109	49.8 Å²	49.8	51%	0.509	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-89.2	2.8	172.7	-69.9	179.2	25.4	0	0	112	T770 P771 D772 L776	T770-Q774 HydrophobicContact CG2-CB 4.08Å; P771-Q774 HydrophobicContact CG-CG 3.94Å; P771-Q774 WeakPolarHBondContact O-CB 3.41Å; P771-Q774 PolarHBondContact O-N 3.27Å; D772-Q774 PolarHBondContact O-N 3.27Å; Q774-L776 PolarHBondContact O-N 3.37Å
775	Y	94.4	Very high	94.3	Very high	19 Å²	19	48.2 Å²	48.2	8%	0.075	26%	0.256	C	S	.	.	S	Bend	trans	-68.3	132.5	174.7	-164	-107.6	0	0	0	111	Y617 M620 D760 K762 P763 N764 H765 D772 S773 T777 Q779	Y617-Y775 WeakPolarHBondContact OH-CA 3.45Å; Y617-Y775 WeakPolarHBondContact OH-CD2 3.25Å; M620-Y775 HydrophobicContact CB-CE2 3.98Å; M620-Y775 HydrophobicContact CG-CE2 4.1Å; D760-Y775 VanDerWaalsContact O-CE1 3.27Å; D760-Y775 WeakPolarHBondContact O-CE1 3.46Å; D760-Y775 PolarHBondContact O-OH 3.44Å; K762-Y775 PolarHBondContact O-OH 3Å; P763-Y775 VanDerWaalsContact CA-CG 3.49Å; P763-Y775 HydrophobicContact CB-CD1 4.11Å; P763-Y775 HydrophobicContact CB-CD2 4.07Å; P763-Y775 HydrophobicContact CB-CG 3.73Å; P763-Y775 HydrophobicContact CG-CD1 3.95Å; P763-Y775 HydrophobicContact CG-CG 3.98Å; N764-Y775 VanDerWaalsContact O-CE2 3.22Å; N764-Y775 WeakPolarHBondContact O-CE2 3.45Å; H765-Y775 AromaticContact CE1-CD2 3.73Å; H765-Y775 AromaticContact NE2-CD2 3.83Å; D772-Y775 WeakPolarHBondContact O-CB 3.28Å; D772-Y775 PolarHBondContact O-N 3.48Å; D772-Y775 VanDerWaalsContact O-N 3.1Å; S773-Y775 VanDerWaalsContact C-N 3.29Å; Y775-T777 PolarHBondContact O-N 2.8Å; Y775-Q779 VanDerWaalsContact CE1-NE2 3.29Å; Y775-Q779 PolarHBondContact OH-NE2 3.19Å
776	L	92.4	Very high	94.4	Very high	40 Å²	40	51.4 Å²	51.4	21%	0.209	27%	0.269	C	S	.	.			trans	-76.1	118.4	-175.6	177.6	70.1	0	0	0	109.3	Y617 Q774 E778 Q779 R842	Y617-L776 HydrophobicContact CD2-CD2 4.22Å; Y617-L776 HydrophobicContact CE1-CB 4.49Å; Y617-L776 HydrophobicContact CE2-CB 3.69Å; Y617-L776 HydrophobicContact CE2-CD2 3.9Å; Y617-L776 HydrophobicContact CE2-CG 4.49Å; Y617-L776 VanDerWaalsContact OH-CB 3.29Å; Y617-L776 WeakPolarHBondContact OH-CB 3.47Å; Y617-L776 PolarHBondContact OH-N 3.34Å; Q774-L776 PolarHBondContact O-N 3.37Å; L776-E778 WeakPolarHBondContact CG-O 3.17Å; L776-Q779 HydrophobicContact CB-CG 4.32Å; L776-Q779 HydrophobicContact CD2-CB 4.37Å; L776-Q779 HydrophobicContact CD2-CG 3.83Å; L776-Q779 HydrophobicContact CG-CG 3.98Å; L776-Q779 WeakPolarHBondContact O-CG 3.36Å; L776-Q779 PolarHBondContact O-NE2 3.32Å; L776-Q779 VanDerWaalsContact O-NE2 3.13Å; L776-R842 VanDerWaalsContact CD1-NH2 3.32Å
777	T	87.9	Confident	94.4	Very high	133 Å²	133	51.5 Å²	51.5	82%	0.816	27%	0.27	S	S	*	.	S	Bend	trans	-77.8	-41.4	176.6	51.3	0	0	0	0	111.7	Y775 Q779	Y775-T777 PolarHBondContact O-N 2.8Å; T777-Q779 PolarHBondContact O-N 3.19Å
778	E	90.6	Very high	94.3	Very high	157 Å²	157	53.6 Å²	53.6	73%	0.734	28%	0.281	S	S	*	.	S	Bend	trans	-97.7	84.2	-179.7	-66.1	-175.8	-177.6	0	0	110.8	L776	L776-E778 WeakPolarHBondContact CG-O 3.17Å
779	Q	95.4	Very high	94.4	Very high	36 Å²	36	55.1 Å²	55.1	17%	0.168	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-89.2	145.3	178.5	-55	-165.3	26.8	0	0	111.8	I618 Q619 M620 D760 Y775 L776 T777	I618-Q779 CarbonylContact O-C 3.54Å; I618-Q779 VanDerWaalsContact O-CA 3.28Å; I618-Q779 WeakPolarHBondContact O-CA 3.39Å; I618-Q779 WeakPolarHBondContact O-CB 3.04Å; Q619-Q779 VanDerWaalsContact CA-OE1 3.3Å; Q619-Q779 HydrophobicContact CG-CB 4.5Å; M620-Q779 PolarHBondContact O-OE1 3.35Å; D760-Q779 PolarHBondContact O-NE2 2.92Å; Y775-Q779 VanDerWaalsContact CE1-NE2 3.29Å; Y775-Q779 PolarHBondContact OH-NE2 3.19Å; L776-Q779 HydrophobicContact CB-CG 4.32Å; L776-Q779 HydrophobicContact CD2-CB 4.37Å; L776-Q779 HydrophobicContact CD2-CG 3.83Å; L776-Q779 HydrophobicContact CG-CG 3.98Å; L776-Q779 WeakPolarHBondContact O-CG 3.36Å; L776-Q779 PolarHBondContact O-NE2 3.32Å; L776-Q779 VanDerWaalsContact O-NE2 3.13Å; T777-Q779 PolarHBondContact O-N 3.19Å
780	I	95.9	Very high	94.6	Very high	45 Å²	45	57.4 Å²	57.4	23%	0.231	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-87.2	119.8	173.9	-57.7	-179.6	0	0	0	108.2	I618 Q619 P839 R842	I618-I780 HydrophobicContact CB-CB 4.36Å; I618-I780 HydrophobicContact CB-CD1 4.37Å; I618-I780 HydrophobicContact CB-CG1 4.46Å; I618-I780 HydrophobicContact CD1-CB 4.44Å; I618-I780 PolarHBondContact O-N 3.35Å; Q619-I780 WeakPolarHBondContact CB-O 3.47Å; Q619-I780 WeakPolarHBondContact CG-O 3.34Å; Q619-I780 PolarHBondContact NE2-O 2.87Å; I780-P839 HydrophobicContact CG2-CB 4.24Å; I780-P839 HydrophobicContact CG2-CG 3.89Å; I780-R842 HydrophobicContact CD1-CB 4.38Å; I780-R842 HydrophobicContact CD1-CG 3.9Å
781	P	95.9	Very high	94.7	Very high	29 Å²	29	56.7 Å²	56.7	19%	0.188	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-69.3	165.4	179.7	30.9	-35.1	0	0	0	111.2	Q619 I756 W783	Q619-P781 VanDerWaalsContact NE2-C 3.33Å; I756-P781 HydrophobicContact CD1-CB 4.03Å; I756-P781 HydrophobicContact CD1-CG 3.91Å; I756-P781 HydrophobicContact CG1-CB 3.68Å; I756-P781 HydrophobicContact CG1-CG 4Å; P781-W783 HydrophobicContact CG-CH2 4.08Å; P781-W783 HydrophobicContact CG-CZ2 3.84Å; P781-W783 VanDerWaalsContact O-CZ3 3.27Å; P781-W783 WeakPolarHBondContact O-CZ3 3.38Å
782	C	95.3	Very high	94.9	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.02	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	169.2	161.9	58.9	0	0	0	0	108.8	Q757 L837 E838	Q757-C782 WeakPolarHBondContact CA-O 3.47Å; Q757-C782 WeakPolarHBondContact CB-O 3.28Å; Q757-C782 WeakPolarHBondContact CB-SG 3.27Å; Q757-C782 PolarHBondContact N-O 2.76Å; Q757-C782 PolarHBondContact O-N 3.17Å; C782-L837 WeakPolarHBondContact CA-O 3.4Å; C782-L837 WeakPolarHBondContact CB-O 3.23Å; C782-E838 HydrophobicContact CB-CG 4.37Å
783	W	98.1	Very high	95.1	Very high	35 Å²	35	56.4 Å²	56.4	13%	0.133	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153	178	-61.7	-102	0	0	0	111.3	Y751 T754 E755 P781 F836 L837 P839	Y751-W783 HydrophobicContact CD1-CB 4.3Å; Y751-W783 AromaticContact CD1-CD1 3.59Å; Y751-W783 AromaticContact CD1-CD2 3.36Å; Y751-W783 HydrophobicContact CD1-CD2 3.36Å; Y751-W783 AromaticContact CD1-CE2 3.37Å; Y751-W783 AromaticContact CD1-CE3 3.92Å; Y751-W783 HydrophobicContact CD1-CE3 3.92Å; Y751-W783 AromaticContact CD1-CG 3.52Å; Y751-W783 HydrophobicContact CD1-CG 3.52Å; Y751-W783 HydrophobicContact CD1-CH2 4.44Å; Y751-W783 AromaticContact CD1-CZ2 3.95Å; Y751-W783 HydrophobicContact CD1-CZ2 3.95Å; Y751-W783 HydrophobicContact CD1-CZ3 4.42Å; Y751-W783 AromaticContact CD1-NE1 3.49Å; Y751-W783 AromaticContact CE1-CD2 3.36Å; Y751-W783 HydrophobicContact CE1-CD2 3.36Å; Y751-W783 AromaticContact CE1-CE2 3.63Å; Y751-W783 AromaticContact CE1-CE3 3.38Å; Y751-W783 HydrophobicContact CE1-CE3 3.38Å; Y751-W783 AromaticContact CE1-CG 3.91Å; Y751-W783 HydrophobicContact CE1-CG 3.91Å; Y751-W783 AromaticContact CE1-CH2 3.95Å; Y751-W783 HydrophobicContact CE1-CH2 3.95Å; Y751-W783 AromaticContact CE1-CZ2 3.93Å; Y751-W783 HydrophobicContact CE1-CZ2 3.93Å; Y751-W783 AromaticContact CE1-CZ3 3.68Å; Y751-W783 HydrophobicContact CE1-CZ3 3.68Å; Y751-W783 HydrophobicContact CG-CD2 4.42Å; Y751-W783 HydrophobicContact CG-CZ2 4.36Å; Y751-W783 AromaticContact CG-NE1 3.95Å; T754-W783 WeakPolarHBondContact OG1-CB 3.46Å; E755-W783 CarbonylContact O-C 3.59Å; E755-W783 WeakPolarHBondContact O-CA 3.48Å; P781-W783 HydrophobicContact CG-CH2 4.08Å; P781-W783 HydrophobicContact CG-CZ2 3.84Å; P781-W783 VanDerWaalsContact O-CZ3 3.27Å; P781-W783 WeakPolarHBondContact O-CZ3 3.38Å; W783-F836 CarbonylContact O-C 3.51Å; W783-F836 VanDerWaalsContact O-CA 3.27Å; W783-F836 WeakPolarHBondContact O-CA 3.42Å; W783-L837 HydrophobicContact CB-CB 4.19Å; W783-L837 HydrophobicContact CB-CD1 4.34Å; W783-L837 PolarHBondContact N-O 2.89Å; W783-L837 PolarHBondContact O-N 2.75Å; W783-P839 HydrophobicContact CH2-CG 4.39Å; W783-P839 HydrophobicContact CZ3-CG 3.63Å
784	L	97.8	Very high	95.3	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.052	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.4	-177.1	-178.3	62.5	0	0	0	110	E755 Q757 Y786 Q834 L835 F836	E755-L784 HydrophobicContact CB-CB 4.14Å; E755-L784 PolarHBondContact N-O 2.94Å; E755-L784 WeakPolarHBondContact O-CB 3.3Å; E755-L784 PolarHBondContact O-N 3.5Å; Q757-L784 HydrophobicContact CG-CB 4Å; L784-Y786 WeakPolarHBondContact CD2-OH 3.45Å; L784-Y786 HydrophobicContact CG-CE2 4.24Å; L784-Q834 HydrophobicContact CD1-CG 3.19Å; L784-Q834 HydrophobicContact CG-CG 4.35Å; L784-L835 VanDerWaalsContact CD1-O 3.23Å; L784-L835 WeakPolarHBondContact CD1-O 3.46Å; L784-F836 HydrophobicContact CB-CD1 4.41Å; L784-F836 HydrophobicContact CB-CE1 4.36Å; L784-F836 HydrophobicContact CD1-CD1 3.73Å; L784-F836 HydrophobicContact CD1-CD2 4.37Å; L784-F836 HydrophobicContact CD1-CE1 3.46Å; L784-F836 VanDerWaalsContact CD1-CE1 3.46Å; L784-F836 HydrophobicContact CD1-CE2 4.14Å; L784-F836 HydrophobicContact CD1-CG 4.18Å; L784-F836 HydrophobicContact CD1-CZ 3.68Å; L784-F836 HydrophobicContact CG-CE1 4.33Å
785	T	97.8	Very high	95.3	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.025	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	-175.9	173.5	-169.4	0	0	0	0	109.5	L835 L837 I868 E869	T785-L835 HydrophobicContact CG2-CB 3.97Å; T785-L835 HydrophobicContact CG2-CD1 4.42Å; T785-L835 PolarHBondContact N-O 2.6Å; T785-L835 PolarHBondContact O-N 3.09Å; T785-L835 VanDerWaalsContact O-O 3.08Å; T785-L837 HydrophobicContact CG2-CD1 4.41Å; T785-L837 HydrophobicContact CG2-CD2 4.36Å; T785-L837 HydrophobicContact CG2-CG 4.31Å; T785-I868 HydrophobicContact CG2-CG2 3.77Å; T785-E869 PolarHBondContact OG1-O 3.21Å
786	Y	97.9	Very high	95.2	Very high	67 Å²	67	51.1 Å²	51.1	26%	0.263	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	144.5	-173.7	-58.1	-92.5	0	0	0	111.2	L784 H833 Q834	L784-Y786 WeakPolarHBondContact CD2-OH 3.45Å; L784-Y786 HydrophobicContact CG-CE2 4.24Å; Y786-H833 WeakPolarHBondContact CA-O 3.36Å; Y786-Q834 HydrophobicContact CD1-CB 4.18Å; Y786-Q834 HydrophobicContact CE1-CB 3.98Å; Y786-Q834 HydrophobicContact CE1-CG 3.99Å
787	T	97.2	Very high	95.3	Very high	2 Å²	2	54 Å²	54	1%	0.012	27%	0.273	C	S	.	.			trans	-63.3	158.6	157.6	56	0	0	0	0	109.9	H792 I820 R832 H833 L835 L852	T787-H792 PolarHBondContact OG1-NE2 3.05Å; T787-I820 HydrophobicContact CG2-CD1 4.17Å; T787-R832 WeakPolarHBondContact O-CA 3.29Å; T787-R832 WeakPolarHBondContact O-CB 3.28Å; T787-H833 PolarHBondContact N-O 2.94Å; T787-H833 WeakPolarHBondContact OG1-CA 3.38Å; T787-H833 WeakPolarHBondContact OG1-CB 3.27Å; T787-H833 PolarHBondContact OG1-N 2.86Å; T787-H833 PolarHBondContact OG1-O 2.91Å; T787-L835 HydrophobicContact CG2-CD1 3.82Å; T787-L835 HydrophobicContact CG2-CD2 4.37Å; T787-L835 HydrophobicContact CG2-CG 4.24Å; T787-L852 HydrophobicContact CG2-CD1 4.33Å
788	N	95.2	Very high	95.5	Very high	45 Å²	45	49 Å²	49	24%	0.241	24%	0.241	C	C	.	.			trans	-134.8	176.7	178.6	61.7	48.2	0	0	0	110.4	K790 S791 H792 S867	N788-K790 PolarHBondContact O-N 3.1Å; N788-K790 WeakPolarHBondContact OD1-CA 3.19Å; N788-K790 VanDerWaalsContact OD1-CB 3.29Å; N788-K790 WeakPolarHBondContact OD1-CB 3.39Å; N788-K790 PolarHBondContact OD1-N 3.45Å; N788-S791 PolarHBondContact N-OG 3.07Å; N788-S791 VanDerWaalsContact O-CB 3.31Å; N788-S791 WeakPolarHBondContact O-CB 3.48Å; N788-S791 PolarHBondContact O-N 2.9Å; N788-S791 PolarHBondContact OD1-N 2.7Å; N788-S791 PolarHBondContact OD1-OG 3.17Å; N788-H792 PolarHBondContact O-CD2 3.04Å; N788-H792 VanDerWaalsContact O-CD2 3.32Å; N788-H792 PolarHBondContact O-N 2.75Å; N788-S867 PolarHBondContact ND2-O 2.84Å
789	P	95.2	Very high	95.4	Very high	86 Å²	86	43 Å²	43	56%	0.558	21%	0.214	S	C	*	.	H	α-helix	trans	-55.4	-33.4	-179.7	-30.5	37.9	0	0	0	114.5	H792 E793	P789-H792 PolarHBondContact O-N 3.02Å; P789-E793 WeakPolarHBondContact O-CB 3.46Å; P789-E793 PolarHBondContact O-N 3.45Å
790	K	96.2	Very high	94.9	Very high	124 Å²	124	47.3 Å²	47.3	54%	0.539	23%	0.234	S	C	.	.	H	α-helix	trans	-66.2	-43.8	175.2	-175.7	-173.9	176.3	-169.1	0	111.1	N788 H792 E793 I794	N788-K790 PolarHBondContact O-N 3.1Å; N788-K790 WeakPolarHBondContact OD1-CA 3.19Å; N788-K790 VanDerWaalsContact OD1-CB 3.29Å; N788-K790 WeakPolarHBondContact OD1-CB 3.39Å; N788-K790 PolarHBondContact OD1-N 3.45Å; K790-H792 VanDerWaalsContact C-N 3.25Å; K790-H792 PolarHBondContact O-N 2.87Å; K790-E793 PolarHBondContact O-N 2.68Å; K790-I794 HydrophobicContact CG-CD1 4.26Å; K790-I794 WeakPolarHBondContact O-CG1 3.38Å; K790-I794 PolarHBondContact O-N 2.72Å
791	S	96.5	Very high	94.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.5	-41.8	173.2	-43.5	0	0	0	0	111.4	N788 I795 S867	N788-S791 PolarHBondContact N-OG 3.07Å; N788-S791 VanDerWaalsContact O-CB 3.31Å; N788-S791 WeakPolarHBondContact O-CB 3.48Å; N788-S791 PolarHBondContact O-N 2.9Å; N788-S791 PolarHBondContact OD1-N 2.7Å; N788-S791 PolarHBondContact OD1-OG 3.17Å; S791-I795 WeakPolarHBondContact O-CG1 3.37Å; S791-I795 PolarHBondContact O-N 2.99Å; S791-I795 VanDerWaalsContact O-N 3.15Å; S791-S867 VanDerWaalsContact CA-OG 3.26Å; S791-S867 WeakPolarHBondContact CA-OG 3.43Å; S791-S867 VanDerWaalsContact CB-OG 3.24Å; S791-S867 WeakPolarHBondContact CB-OG 3.12Å; S791-S867 PolarHBondContact OG-OG 2.78Å
792	H	96.1	Very high	93.6	Very high	15 Å²	15	46.2 Å²	46.2	7%	0.069	22%	0.223	C	C	.	.	H	α-helix	trans	-69.4	-39.6	-179.3	-64.6	-175.6	0	0	0	111.7	T787 N788 P789 K790 I795 Q796 I824 K830 E831 H833	T787-H792 PolarHBondContact OG1-NE2 3.05Å; N788-H792 PolarHBondContact O-CD2 3.04Å; N788-H792 VanDerWaalsContact O-CD2 3.32Å; N788-H792 PolarHBondContact O-N 2.75Å; P789-H792 PolarHBondContact O-N 3.02Å; K790-H792 VanDerWaalsContact C-N 3.25Å; K790-H792 PolarHBondContact O-N 2.87Å; H792-I795 PolarHBondContact O-N 3.07Å; H792-Q796 VanDerWaalsContact O-CB 3.31Å; H792-Q796 WeakPolarHBondContact O-CB 3.45Å; H792-Q796 VanDerWaalsContact O-CG 3.23Å; H792-Q796 WeakPolarHBondContact O-CG 3.45Å; H792-Q796 PolarHBondContact O-N 3.47Å; H792-I824 HydrophobicContact CB-CD1 4.43Å; H792-I824 HydrophobicContact CB-CG2 4.2Å; H792-I824 VanDerWaalsContact CD2-CD1 3.47Å; H792-I824 WeakPolarHBondContact CD2-CD1 3.48Å; H792-K830 PolarHBondContact CE1-O 2.87Å; H792-K830 VanDerWaalsContact CE1-O 3.29Å; H792-E831 PolarHBondContact CE1-O 3.37Å; H792-H833 AromaticContact CE1-CE1 3.99Å; H792-H833 AromaticContact CE1-ND1 3.58Å; H792-H833 AromaticContact NE2-ND1 3.47Å; H792-H833 PolarHBondContact NE2-ND1 2.94Å
793	E	95	Very high	92.2	Very high	115 Å²	115	46 Å²	46	54%	0.537	22%	0.222	S	C	.	.	H	α-helix	trans	-60.7	-46.8	175.2	-177	179.1	-172.4	0	0	111.6	P789 K790 I795 Q796 N797	P789-E793 WeakPolarHBondContact O-CB 3.46Å; P789-E793 PolarHBondContact O-N 3.45Å; K790-E793 PolarHBondContact O-N 2.68Å; E793-I795 VanDerWaalsContact C-N 3.31Å; E793-I795 PolarHBondContact O-N 3.47Å; E793-Q796 PolarHBondContact O-N 2.81Å; E793-N797 WeakPolarHBondContact O-CB 3.44Å; E793-N797 PolarHBondContact O-N 2.79Å; E793-N797 PolarHBondContact O-ND2 3.34Å
794	I	96.2	Very high	90.5	Very high	26 Å²	26	47.8 Å²	47.8	13%	0.133	23%	0.233	C	C	.	.	H	α-helix	trans	-57.7	-46.6	176.5	-65.9	163.2	0	0	0	110.5	K790 N798 V860 D863 V864	K790-I794 HydrophobicContact CG-CD1 4.26Å; K790-I794 WeakPolarHBondContact O-CG1 3.38Å; K790-I794 PolarHBondContact O-N 2.72Å; I794-N798 PolarHBondContact O-N 3.39Å; I794-N798 PolarHBondContact O-ND2 3.48Å; I794-V860 HydrophobicContact CG2-CG1 4.2Å; I794-D863 HydrophobicContact CD1-CB 4.39Å; I794-D863 HydrophobicContact CG2-CB 3.93Å; I794-V864 HydrophobicContact CB-CG2 4.21Å; I794-V864 HydrophobicContact CG2-CG2 3.63Å
795	I	94.7	Very high	88.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65	-46.3	179.1	-69.7	167.8	0	0	0	110.8	S791 H792 E793 N797 N798 L799 I820 E821 I824 L856 V864	S791-I795 WeakPolarHBondContact O-CG1 3.37Å; S791-I795 PolarHBondContact O-N 2.99Å; S791-I795 VanDerWaalsContact O-N 3.15Å; H792-I795 PolarHBondContact O-N 3.07Å; E793-I795 VanDerWaalsContact C-N 3.31Å; E793-I795 PolarHBondContact O-N 3.47Å; I795-N797 VanDerWaalsContact C-N 3.34Å; I795-N797 PolarHBondContact O-N 2.88Å; I795-N798 CarbonylContact O-C 3.56Å; I795-N798 PolarHBondContact O-N 3.26Å; I795-N798 VanDerWaalsContact O-N 3.09Å; I795-L799 HydrophobicContact CG2-CD2 4.01Å; I795-L799 WeakPolarHBondContact O-CG 3.3Å; I795-L799 PolarHBondContact O-N 2.94Å; I795-I820 HydrophobicContact CD1-CG1 3.87Å; I795-I820 HydrophobicContact CD1-CG2 4.03Å; I795-E821 HydrophobicContact CG2-CB 3.86Å; I795-I824 HydrophobicContact CB-CD1 4.12Å; I795-I824 HydrophobicContact CD1-CD1 3.3Å; I795-I824 HydrophobicContact CG1-CD1 4.28Å; I795-I824 HydrophobicContact CG2-CD1 4.04Å; I795-L856 HydrophobicContact CG1-CD1 4.09Å; I795-L856 HydrophobicContact CG2-CD1 4.36Å; I795-V864 HydrophobicContact CD1-CG1 4.05Å; I795-V864 HydrophobicContact CD1-CG2 4.04Å; I795-V864 HydrophobicContact CG1-CG1 4.47Å; I795-V864 HydrophobicContact CG1-CG2 3.56Å
796	Q	92.3	Very high	86.6	Confident	101 Å²	101	54.6 Å²	54.6	47%	0.472	27%	0.266	S	S	.	.	H	α-helix	trans	-59.9	-43.3	179.5	-77.6	178.6	26.1	0	0	112	H792 E793 N798 L799 I824	H792-Q796 VanDerWaalsContact O-CB 3.31Å; H792-Q796 WeakPolarHBondContact O-CB 3.45Å; H792-Q796 VanDerWaalsContact O-CG 3.23Å; H792-Q796 WeakPolarHBondContact O-CG 3.45Å; H792-Q796 PolarHBondContact O-N 3.47Å; E793-Q796 PolarHBondContact O-N 2.81Å; Q796-N798 PolarHBondContact O-N 3.1Å; Q796-L799 PolarHBondContact O-N 3.42Å; Q796-I824 HydrophobicContact CG-CG2 4.37Å
797	N	93.8	Very high	84.8	Confident	100 Å²	100	54.3 Å²	54.3	54%	0.535	28%	0.284	S	S	.	.	H	α-helix	trans	-66	-22.1	178.3	-69.5	-19.5	0	0	0	112.7	E793 I795 H800	E793-N797 WeakPolarHBondContact O-CB 3.44Å; E793-N797 PolarHBondContact O-N 2.79Å; E793-N797 PolarHBondContact O-ND2 3.34Å; I795-N797 VanDerWaalsContact C-N 3.34Å; I795-N797 PolarHBondContact O-N 2.88Å; N797-H800 PolarHBondContact O-CE1 2.76Å; N797-H800 PolarHBondContact O-ND1 3.11Å; N797-H800 VanDerWaalsContact O-ND1 3.12Å
798	N	92.9	Very high	83.1	Confident	29 Å²	29	56.7 Å²	56.7	16%	0.155	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	9.8	-178.6	-70.8	-79.7	0	0	0	114	I794 I795 Q796 H800 R801 L856 V860	I794-N798 PolarHBondContact O-N 3.39Å; I794-N798 PolarHBondContact O-ND2 3.48Å; I795-N798 CarbonylContact O-C 3.56Å; I795-N798 PolarHBondContact O-N 3.26Å; I795-N798 VanDerWaalsContact O-N 3.09Å; Q796-N798 PolarHBondContact O-N 3.1Å; N798-H800 PolarHBondContact O-N 3.36Å; N798-H800 VanDerWaalsContact O-N 3.16Å; N798-R801 WeakPolarHBondContact O-CB 3.41Å; N798-R801 PolarHBondContact O-N 3.05Å; N798-L856 HydrophobicContact CB-CD2 4.43Å; N798-V860 HydrophobicContact CB-CG1 3.7Å; N798-V860 HydrophobicContact CB-CG2 3.99Å; N798-V860 WeakPolarHBondContact OD1-CG2 3.44Å
799	L	87.9	Confident	81.3	Confident	30 Å²	30	55.9 Å²	55.9	16%	0.157	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-57.2	-34.5	179.4	-69.5	174.7	0	0	0	112.4	I795 Q796 R801 A802 F805 E821 V825	I795-L799 HydrophobicContact CG2-CD2 4.01Å; I795-L799 WeakPolarHBondContact O-CG 3.3Å; I795-L799 PolarHBondContact O-N 2.94Å; Q796-L799 PolarHBondContact O-N 3.42Å; L799-R801 PolarHBondContact O-N 3.24Å; L799-R801 VanDerWaalsContact O-N 3.16Å; L799-A802 WeakPolarHBondContact O-CB 3.32Å; L799-A802 PolarHBondContact O-N 2.71Å; L799-F805 HydrophobicContact CB-CD2 4.03Å; L799-F805 HydrophobicContact CB-CE2 4.08Å; L799-F805 HydrophobicContact CB-CG 4.46Å; L799-F805 HydrophobicContact CD2-CD2 4.39Å; L799-F805 HydrophobicContact CD2-CE2 3.7Å; L799-F805 HydrophobicContact CD2-CZ 4.16Å; L799-F805 HydrophobicContact CG-CE2 4.33Å; L799-F805 WeakPolarHBondContact O-CB 3.42Å; L799-F805 WeakPolarHBondContact O-CD2 3.2Å; L799-F805 WeakPolarHBondContact O-CG 3.26Å; L799-E821 HydrophobicContact CD2-CB 3.92Å; L799-V825 HydrophobicContact CD1-CG2 3.67Å; L799-V825 HydrophobicContact CD2-CG2 4.09Å
800	H	85.7	Confident	79.8	Confident	128 Å²	128	57.4 Å²	57.4	59%	0.593	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-63.2	-17	177.2	68.1	-80.9	0	0	0	114	N797 N798 T806	N797-H800 PolarHBondContact O-CE1 2.76Å; N797-H800 PolarHBondContact O-ND1 3.11Å; N797-H800 VanDerWaalsContact O-ND1 3.12Å; N798-H800 PolarHBondContact O-N 3.36Å; N798-H800 VanDerWaalsContact O-N 3.16Å; H800-T806 WeakPolarHBondContact O-CG2 3.25Å
801	R	85.5	Confident	78.3	Confident	50 Å²	50	51.7 Å²	51.7	19%	0.189	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-95.4	-8.8	173.8	-60.3	179.3	65.5	-159.9	-3.7	112.6	E706 N798 L799 P857 D859	E706-R801 VanDerWaalsContact OE1-CB 3.31Å; E706-R801 WeakPolarHBondContact OE1-CB 3.44Å; E706-R801 VanDerWaalsContact OE1-CG 3.27Å; E706-R801 WeakPolarHBondContact OE1-CG 3.26Å; E706-R801 IonicContact OE1-CZ 3.85Å; E706-R801 IonicContact OE1-NE 3.36Å; E706-R801 PolarHBondContact OE1-NE 3.34Å; E706-R801 IonicContact OE1-NH2 3Å; E706-R801 IonicContact OE2-NH2 3.8Å; N798-R801 WeakPolarHBondContact O-CB 3.41Å; N798-R801 PolarHBondContact O-N 3.05Å; L799-R801 PolarHBondContact O-N 3.24Å; L799-R801 VanDerWaalsContact O-N 3.16Å; R801-P857 HydrophobicContact CB-CG 3.91Å; R801-P857 VanDerWaalsContact CZ-CG 3.46Å; R801-D859 IonicContact CZ-OD1 3.33Å; R801-D859 IonicContact CZ-OD2 2.68Å; R801-D859 IonicContact NH1-OD1 2.8Å; R801-D859 PolarHBondContact NH1-OD1 3.41Å; R801-D859 IonicContact NH1-OD2 2.79Å; R801-D859 PolarHBondContact NH1-OD2 3.34Å; R801-D859 IonicContact NH2-OD1 3.39Å; R801-D859 PolarHBondContact NH2-OD1 3.26Å; R801-D859 IonicContact NH2-OD2 2.72Å
802	A	78.5	Confident	76.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	-80.7	135.2	178	0	0	0	0	0	109.9	L799 M804 F805 T806 E821 L856	L799-A802 WeakPolarHBondContact O-CB 3.32Å; L799-A802 PolarHBondContact O-N 2.71Å; A802-M804 PolarHBondContact O-N 3.39Å; A802-F805 HydrophobicContact CB-CD2 3.96Å; A802-F805 HydrophobicContact CB-CE2 4.45Å; A802-F805 PolarHBondContact O-N 2.91Å; A802-T806 PolarHBondContact O-N 2.76Å; A802-E821 HydrophobicContact CB-CG 4.07Å; A802-L856 HydrophobicContact CB-CD2 3.57Å; A802-L856 HydrophobicContact CB-CG 4.39Å
803	P	65.7	Low	75.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-52.8	-32.5	-174.7	-28.1	30	0	0	0	115.7	I703 G705 F805 T806 G807 V809 S855	I703-P803 HydrophobicContact CB-CG 4.47Å; I703-P803 HydrophobicContact CG2-CB 3.83Å; I703-P803 HydrophobicContact CG2-CG 3.33Å; G705-P803 WeakPolarHBondContact O-CG 3.2Å; P803-F805 PolarHBondContact O-N 3.41Å; P803-T806 VanDerWaalsContact CA-OG1 3.3Å; P803-T806 WeakPolarHBondContact CA-OG1 3.44Å; P803-T806 PolarHBondContact O-N 3.12Å; P803-T806 PolarHBondContact O-OG1 3.31Å; P803-G807 PolarHBondContact O-N 3.05Å; P803-V809 HydrophobicContact CB-CG2 3.2Å; P803-S855 WeakPolarHBondContact CD-O 3.39Å; P803-S855 WeakPolarHBondContact CD-OG 3.47Å
804	M	62.6	Low	73.9	Confident	72 Å²	72	51 Å²	51	36%	0.355	28%	0.283	S	S	.	.	H	α-helix	trans	-62.4	-26.3	177.7	-73.4	-98.7	-71.7	0	0	113.2	A802 D822	A802-M804 PolarHBondContact O-N 3.39Å; M804-D822 HydrophobicContact CE-CB 3.96Å
805	F	58.7	Low	72.3	Confident	100 Å²	100	56.7 Å²	56.7	44%	0.439	30%	0.303	S	S	.	.	H	α-helix	trans	-105	-18	-177.1	-59	-81.8	0	0	0	113	L799 A802 P803 V825	L799-F805 HydrophobicContact CB-CD2 4.03Å; L799-F805 HydrophobicContact CB-CE2 4.08Å; L799-F805 HydrophobicContact CB-CG 4.46Å; L799-F805 HydrophobicContact CD2-CD2 4.39Å; L799-F805 HydrophobicContact CD2-CE2 3.7Å; L799-F805 HydrophobicContact CD2-CZ 4.16Å; L799-F805 HydrophobicContact CG-CE2 4.33Å; L799-F805 WeakPolarHBondContact O-CB 3.42Å; L799-F805 WeakPolarHBondContact O-CD2 3.2Å; L799-F805 WeakPolarHBondContact O-CG 3.26Å; A802-F805 HydrophobicContact CB-CD2 3.96Å; A802-F805 HydrophobicContact CB-CE2 4.45Å; A802-F805 PolarHBondContact O-N 2.91Å; P803-F805 PolarHBondContact O-N 3.41Å; F805-V825 HydrophobicContact CZ-CG2 4.13Å
806	T	55.8	Low	70.4	Confident	56 Å²	56	63.7 Å²	63.7	34%	0.344	33%	0.33	S	S	.	.	H	α-helix	trans	-83.2	-22	174.5	56.7	0	0	0	0	112.9	H800 A802 P803 I808	H800-T806 WeakPolarHBondContact O-CG2 3.25Å; A802-T806 PolarHBondContact O-N 2.76Å; P803-T806 VanDerWaalsContact CA-OG1 3.3Å; P803-T806 WeakPolarHBondContact CA-OG1 3.44Å; P803-T806 PolarHBondContact O-N 3.12Å; P803-T806 PolarHBondContact O-OG1 3.31Å; T806-I808 HydrophobicContact CG2-CD1 4.42Å; T806-I808 WeakPolarHBondContact OG1-CD1 3.42Å; T806-I808 VanDerWaalsContact OG1-CG1 3.28Å; T806-I808 WeakPolarHBondContact OG1-CG1 3.36Å; T806-I808 PolarHBondContact OG1-N 2.99Å
807	G	60	Low	69.2	Low	61 Å²	61	61.5 Å²	61.5	63%	0.629	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	13.5	-175.2	0	0	0	0	0	114.1	P803 V809	P803-G807 PolarHBondContact O-N 3.05Å; G807-V809 PolarHBondContact O-N 2.94Å
808	I	59.7	Low	68.5	Low	53 Å²	53	57.6 Å²	57.6	27%	0.272	31%	0.306	S	S	.	.			trans	-71	-16.5	176.3	-65.9	170.7	0	0	0	112.1	K708 T806	K708-I808 HydrophobicContact CB-CG2 4.3Å; K708-I808 HydrophobicContact CD-CG2 3.81Å; K708-I808 PolarHBondContact NZ-O 3.12Å; T806-I808 HydrophobicContact CG2-CD1 4.42Å; T806-I808 WeakPolarHBondContact OG1-CD1 3.42Å; T806-I808 VanDerWaalsContact OG1-CG1 3.28Å; T806-I808 WeakPolarHBondContact OG1-CG1 3.36Å; T806-I808 PolarHBondContact OG1-N 2.99Å
809	V	57.9	Low	68.3	Low	27 Å²	27	57.2 Å²	57.2	16%	0.164	31%	0.306	C	S	.	.			trans	-96.5	120.7	-173.9	174.4	0	0	0	0	110.3	I703 K737 P803 G807 G811 E884	I703-V809 HydrophobicContact CD1-CG2 4.08Å; K737-V809 HydrophobicContact CD-CG1 3.8Å; K737-V809 HydrophobicContact CD-CG2 4.42Å; P803-V809 HydrophobicContact CB-CG2 3.2Å; G807-V809 PolarHBondContact O-N 2.94Å; V809-G811 WeakPolarHBondContact CG1-O 3Å; V809-E884 VanDerWaalsContact CA-OE1 3.26Å; V809-E884 WeakPolarHBondContact CA-OE1 3.19Å; V809-E884 WeakPolarHBondContact CG1-OE1 3.25Å
810	D	63.5	Low	68.5	Low	118 Å²	118	55.9 Å²	55.9	63%	0.631	30%	0.299	S	S	*	.			trans	-89.3	-29.7	169.3	-62.7	-48.3	0	0	0	111.2	K708 R735 E884	K708-D810 IonicContact NZ-OD2 3.09Å; R735-D810 IonicContact NH1-OD2 2.62Å; D810-E884 PolarHBondContact N-OE1 2.92Å
811	G	64.9	Low	68.7	Low	5 Å²	5	49.8 Å²	49.8	5%	0.052	27%	0.271	C	S	.	.	S	Bend	trans	-79.9	135.8	-169.7	0	0	0	0	0	114	R735 V809 G813 E884	R735-G811 WeakPolarHBondContact O-CA 3.3Å; V809-G811 WeakPolarHBondContact CG1-O 3Å; G811-G813 PolarHBondContact O-N 2.62Å; G811-E884 PolarHBondContact N-OE1 3.38Å
812	V	67.3	Low	68.8	Low	75 Å²	75	48.1 Å²	48.1	46%	0.455	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	121.7	178	-173.1	0	0	0	0	110.4	R735 F736 K737 N963 E964 P965	R735-V812 PolarHBondContact O-N 3.31Å; F736-V812 HydrophobicContact CD1-CB 4.43Å; K737-V812 PolarHBondContact N-O 3.36Å; K737-V812 VanDerWaalsContact N-O 3.1Å; V812-N963 WeakPolarHBondContact CB-O 3.06Å; V812-N963 WeakPolarHBondContact CG1-O 3.36Å; V812-E964 HydrophobicContact CG1-CB 4.11Å; V812-P965 VanDerWaalsContact O-CD 3.29Å; V812-P965 WeakPolarHBondContact O-CD 3.1Å
813	G	63.6	Low	69.3	Low	23 Å²	23	50.6 Å²	50.6	24%	0.237	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	155.3	175.9	0	0	0	0	0	113.9	G811	G811-G813 PolarHBondContact O-N 2.62Å
814	A	64.2	Low	70.3	Confident	17 Å²	17	50.7 Å²	50.7	14%	0.14	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-75	128.4	-178.4	0	0	0	0	0	113.4	Y816 P965	A814-Y816 PolarHBondContact O-N 2.97Å; A814-P965 HydrophobicContact CB-CB 4.15Å; A814-P965 HydrophobicContact CB-CG 4.13Å
815	R	63.6	Low	71.5	Confident	146 Å²	146	50.4 Å²	50.4	55%	0.551	28%	0.279	S	S	*	.	S	Bend	trans	-70.7	-30.2	-179.9	-72.8	176.1	-64.4	176.5	-2.8	115.8	R826 E964	R815-R826 VanDerWaalsContact CA-NH1 3.28Å; R815-R826 PolarHBondContact O-NH1 2.8Å; R815-E964 WeakPolarHBondContact CB-OE2 3.27Å; R815-E964 WeakPolarHBondContact CG-OE2 2.98Å; R815-E964 IonicContact CZ-OE1 2.82Å; R815-E964 VanDerWaalsContact CZ-OE1 3.24Å; R815-E964 IonicContact CZ-OE2 3.8Å; R815-E964 PolarHBondContact N-OE2 3.34Å; R815-E964 VanDerWaalsContact NE-CD 3.31Å; R815-E964 IonicContact NE-OE1 2.87Å; R815-E964 PolarHBondContact NE-OE1 3.5Å; R815-E964 IonicContact NE-OE2 3.63Å; R815-E964 PolarHBondContact NE-OE2 3.06Å; R815-E964 IonicContact NH2-OE1 3.18Å; R815-E964 PolarHBondContact NH2-OE1 2.89Å
816	Y	54.9	Low	72.7	Confident	146 Å²	146	50.7 Å²	50.7	57%	0.573	28%	0.277	S	S	*	.	S	Bend	trans	-88.9	-14.2	-173.3	-69.4	-81.6	0	0	0	113.8	A814 L969	A814-Y816 PolarHBondContact O-N 2.97Å; Y816-L969 HydrophobicContact CD1-CD1 4.18Å; Y816-L969 HydrophobicContact CE1-CD1 4.21Å; Y816-L969 HydrophobicContact CG-CD1 4.39Å
817	C	65.8	Low	74.2	Confident	56 Å²	56	52 Å²	52	38%	0.378	28%	0.278	S	S	.	.	S	Bend	trans	-138.9	64.3	173.6	-168.7	0	0	0	0	109.3	R967	C817-R967 PolarHBondContact SG-NH1 3.36Å
818	P	80.4	Confident	75.4	Confident	17 Å²	17	52.6 Å²	52.6	11%	0.11	28%	0.277	C	S	.	.			trans	-64.4	158	179.8	29.6	-34.8	0	0	0	110.1	D822 K823	P818-D822 HydrophobicContact CB-CB 3.83Å; P818-D822 WeakPolarHBondContact CB-OD2 3.41Å; P818-K823 HydrophobicContact CB-CB 4.48Å; P818-K823 HydrophobicContact CG-CB 3.83Å; P818-K823 HydrophobicContact CG-CG 4.09Å
819	S	88.8	Confident	76.7	Confident	22 Å²	22	56.4 Å²	56.4	15%	0.154	30%	0.298	C	S	.	.			trans	-60.9	159.1	165	57.1	0	0	0	0	110.3	E821 D822 K823 S853	S819-E821 WeakPolarHBondContact CB-OE1 3.37Å; S819-E821 VanDerWaalsContact CB-OE2 3.27Å; S819-E821 WeakPolarHBondContact CB-OE2 3.12Å; S819-E821 PolarHBondContact O-N 3.44Å; S819-E821 WeakPolarHBondContact OG-CG 3.5Å; S819-E821 PolarHBondContact OG-OE1 3.09Å; S819-E821 PolarHBondContact OG-OE2 3.07Å; S819-D822 PolarHBondContact O-N 3.44Å; S819-D822 VanDerWaalsContact O-N 3.1Å; S819-K823 WeakPolarHBondContact O-CB 3.38Å; S819-K823 PolarHBondContact O-N 2.96Å; S819-S853 CarbonylContact C-O 3.57Å; S819-S853 WeakPolarHBondContact CA-O 3.34Å; S819-S853 VanDerWaalsContact CB-O 3.3Å; S819-S853 WeakPolarHBondContact CB-O 3.32Å
820	I	91.9	Very high	78.1	Confident	2 Å²	2	60 Å²	60	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-59.1	-36.1	-173.8	-170.9	68.2	0	0	0	111.5	T787 I795 K823 I824 H833 L852 S853	T787-I820 HydrophobicContact CG2-CD1 4.17Å; I795-I820 HydrophobicContact CD1-CG1 3.87Å; I795-I820 HydrophobicContact CD1-CG2 4.03Å; I820-K823 HydrophobicContact CD1-CD 4.39Å; I820-K823 PolarHBondContact O-N 3.3Å; I820-I824 HydrophobicContact CD1-CD1 4.24Å; I820-I824 HydrophobicContact CD1-CG1 4.41Å; I820-I824 HydrophobicContact CG1-CD1 3.81Å; I820-I824 HydrophobicContact CG1-CG1 4.39Å; I820-I824 WeakPolarHBondContact O-CB 3.46Å; I820-I824 VanDerWaalsContact O-CG1 3.31Å; I820-I824 WeakPolarHBondContact O-CG1 3.5Å; I820-I824 PolarHBondContact O-N 2.82Å; I820-H833 HydrophobicContact CD1-CB 4.42Å; I820-L852 HydrophobicContact CB-CD1 4.16Å; I820-L852 HydrophobicContact CD1-CD1 4.37Å; I820-L852 HydrophobicContact CG1-CD1 3.85Å; I820-L852 HydrophobicContact CG2-CD1 4.09Å; I820-S853 PolarHBondContact N-O 3.37Å
821	E	90.4	Very high	79.3	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.5	-45.2	175.1	63	-83.7	-167.8	0	0	112.7	I795 L799 A802 S819 V825 T854 S855 L856	I795-E821 HydrophobicContact CG2-CB 3.86Å; L799-E821 HydrophobicContact CD2-CB 3.92Å; A802-E821 HydrophobicContact CB-CG 4.07Å; S819-E821 WeakPolarHBondContact CB-OE1 3.37Å; S819-E821 VanDerWaalsContact CB-OE2 3.27Å; S819-E821 WeakPolarHBondContact CB-OE2 3.12Å; S819-E821 PolarHBondContact O-N 3.44Å; S819-E821 WeakPolarHBondContact OG-CG 3.5Å; S819-E821 PolarHBondContact OG-OE1 3.09Å; S819-E821 PolarHBondContact OG-OE2 3.07Å; E821-V825 WeakPolarHBondContact O-CG2 3.42Å; E821-V825 PolarHBondContact O-N 2.98Å; E821-T854 WeakPolarHBondContact OE2-CA 3.44Å; E821-T854 PolarHBondContact OE2-OG1 2.58Å; E821-S855 PolarHBondContact OE1-N 3.09Å; E821-S855 VanDerWaalsContact OE1-N 3.08Å; E821-S855 PolarHBondContact OE1-OG 3.3Å; E821-L856 HydrophobicContact CB-CD1 4.44Å
822	D	87.5	Confident	80.7	Confident	15 Å²	15	69 Å²	69	8%	0.08	34%	0.342	C	S	.	.	H	α-helix	trans	-72.5	-34.4	176.3	-179	33.4	0	0	0	111.3	M804 P818 S819 V825 R826	M804-D822 HydrophobicContact CE-CB 3.96Å; P818-D822 HydrophobicContact CB-CB 3.83Å; P818-D822 WeakPolarHBondContact CB-OD2 3.41Å; S819-D822 PolarHBondContact O-N 3.44Å; S819-D822 VanDerWaalsContact O-N 3.1Å; D822-V825 PolarHBondContact O-N 2.75Å; D822-R826 VanDerWaalsContact CG-NE 3.27Å; D822-R826 WeakPolarHBondContact O-CB 3.46Å; D822-R826 VanDerWaalsContact O-CG 3.28Å; D822-R826 WeakPolarHBondContact O-CG 3.31Å; D822-R826 PolarHBondContact O-N 2.94Å; D822-R826 IonicContact OD1-CZ 2.76Å; D822-R826 IonicContact OD1-NE 3.63Å; D822-R826 PolarHBondContact OD1-NE 3.33Å; D822-R826 IonicContact OD1-NH2 3.62Å; D822-R826 PolarHBondContact OD1-NH2 2.95Å; D822-R826 IonicContact OD2-CZ 3.24Å; D822-R826 IonicContact OD2-NE 3.51Å; D822-R826 PolarHBondContact OD2-NE 2.87Å; D822-R826 VanDerWaalsContact OD2-NE 3.12Å; D822-R826 IonicContact OD2-NH1 3.61Å; D822-R826 IonicContact OD2-NH2 2.82Å; D822-R826 PolarHBondContact OD2-NH2 3.25Å
823	K	87.6	Confident	82	Confident	52 Å²	52	65.9 Å²	65.9	23%	0.226	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-45.1	176.3	-162.8	177.8	-177.2	-177.6	0	111.8	P818 S819 I820 R826 F827	P818-K823 HydrophobicContact CB-CB 4.48Å; P818-K823 HydrophobicContact CG-CB 3.83Å; P818-K823 HydrophobicContact CG-CG 4.09Å; S819-K823 WeakPolarHBondContact O-CB 3.38Å; S819-K823 PolarHBondContact O-N 2.96Å; I820-K823 HydrophobicContact CD1-CD 4.39Å; I820-K823 PolarHBondContact O-N 3.3Å; K823-R826 PolarHBondContact O-N 2.89Å; K823-F827 HydrophobicContact CG-CD2 3.86Å; K823-F827 HydrophobicContact CG-CE2 4.32Å; K823-F827 WeakPolarHBondContact O-CB 3.03Å; K823-F827 VanDerWaalsContact O-CD2 3.31Å; K823-F827 WeakPolarHBondContact O-CD2 3.4Å; K823-F827 PolarHBondContact O-N 3.22Å
824	I	88.1	Confident	83.5	Confident	1 Å²	1	69 Å²	69	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-66.8	-38.9	179.9	-73.9	165.5	0	0	0	110.9	H792 I795 Q796 I820 F827 A828	H792-I824 HydrophobicContact CB-CD1 4.43Å; H792-I824 HydrophobicContact CB-CG2 4.2Å; H792-I824 VanDerWaalsContact CD2-CD1 3.47Å; H792-I824 WeakPolarHBondContact CD2-CD1 3.48Å; I795-I824 HydrophobicContact CB-CD1 4.12Å; I795-I824 HydrophobicContact CD1-CD1 3.3Å; I795-I824 HydrophobicContact CG1-CD1 4.28Å; I795-I824 HydrophobicContact CG2-CD1 4.04Å; Q796-I824 HydrophobicContact CG-CG2 4.37Å; I820-I824 HydrophobicContact CD1-CD1 4.24Å; I820-I824 HydrophobicContact CD1-CG1 4.41Å; I820-I824 HydrophobicContact CG1-CD1 3.81Å; I820-I824 HydrophobicContact CG1-CG1 4.39Å; I820-I824 WeakPolarHBondContact O-CB 3.46Å; I820-I824 VanDerWaalsContact O-CG1 3.31Å; I820-I824 WeakPolarHBondContact O-CG1 3.5Å; I820-I824 PolarHBondContact O-N 2.82Å; I824-F827 CarbonylContact O-C 3.58Å; I824-A828 VanDerWaalsContact O-CA 3.23Å; I824-A828 WeakPolarHBondContact O-CA 3.43Å; I824-A828 PolarHBondContact O-N 2.83Å; I824-A828 VanDerWaalsContact O-N 3.11Å
825	V	87.1	Confident	85	Confident	66 Å²	66	68.2 Å²	68.2	40%	0.4	32%	0.324	S	S	.	.	H	α-helix	trans	-66.9	-44.3	176	172.9	0	0	0	0	111.4	L799 F805 E821 D822	L799-V825 HydrophobicContact CD1-CG2 3.67Å; L799-V825 HydrophobicContact CD2-CG2 4.09Å; F805-V825 HydrophobicContact CZ-CG2 4.13Å; E821-V825 WeakPolarHBondContact O-CG2 3.42Å; E821-V825 PolarHBondContact O-N 2.98Å; D822-V825 PolarHBondContact O-N 2.75Å
826	R	84.6	Confident	86.6	Confident	106 Å²	106	63.3 Å²	63.3	40%	0.4	31%	0.306	S	S	.	.	H	α-helix	trans	-71.5	-33	-178.7	-72.3	179.4	-171.4	-164.1	5	114.1	R815 D822 K823	R815-R826 VanDerWaalsContact CA-NH1 3.28Å; R815-R826 PolarHBondContact O-NH1 2.8Å; D822-R826 VanDerWaalsContact CG-NE 3.27Å; D822-R826 WeakPolarHBondContact O-CB 3.46Å; D822-R826 VanDerWaalsContact O-CG 3.28Å; D822-R826 WeakPolarHBondContact O-CG 3.31Å; D822-R826 PolarHBondContact O-N 2.94Å; D822-R826 IonicContact OD1-CZ 2.76Å; D822-R826 IonicContact OD1-NE 3.63Å; D822-R826 PolarHBondContact OD1-NE 3.33Å; D822-R826 IonicContact OD1-NH2 3.62Å; D822-R826 PolarHBondContact OD1-NH2 2.95Å; D822-R826 IonicContact OD2-CZ 3.24Å; D822-R826 IonicContact OD2-NE 3.51Å; D822-R826 PolarHBondContact OD2-NE 2.87Å; D822-R826 VanDerWaalsContact OD2-NE 3.12Å; D822-R826 IonicContact OD2-NH1 3.61Å; D822-R826 IonicContact OD2-NH2 2.82Å; D822-R826 PolarHBondContact OD2-NH2 3.25Å; K823-R826 PolarHBondContact O-N 2.89Å
827	F	87.3	Confident	88.7	Confident	84 Å²	84	56.3 Å²	56.3	37%	0.368	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	46.6	-178.7	-55.2	-70.8	0	0	0	110.5	K823 I824 D829 K830	K823-F827 HydrophobicContact CG-CD2 3.86Å; K823-F827 HydrophobicContact CG-CE2 4.32Å; K823-F827 WeakPolarHBondContact O-CB 3.03Å; K823-F827 VanDerWaalsContact O-CD2 3.31Å; K823-F827 WeakPolarHBondContact O-CD2 3.4Å; K823-F827 PolarHBondContact O-N 3.22Å; I824-F827 CarbonylContact O-C 3.58Å; F827-D829 WeakPolarHBondContact CA-OD1 3.28Å; F827-D829 PolarHBondContact O-N 3.42Å; F827-D829 VanDerWaalsContact O-N 3.12Å; F827-K830 HydrophobicContact CB-CD 4.22Å; F827-K830 HydrophobicContact CB-CG 4.34Å; F827-K830 WeakPolarHBondContact O-CB 3.47Å; F827-K830 PolarHBondContact O-N 3.42Å
828	A	83.7	Confident	90.2	Very high	74 Å²	74	53.7 Å²	53.7	61%	0.612	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-17	-178.7	0	0	0	0	0	113.4	I824 K830	I824-A828 VanDerWaalsContact O-CA 3.23Å; I824-A828 WeakPolarHBondContact O-CA 3.43Å; I824-A828 PolarHBondContact O-N 2.83Å; I824-A828 VanDerWaalsContact O-N 3.11Å; A828-K830 PolarHBondContact O-N 2.89Å
829	D	87.7	Confident	91.1	Very high	132 Å²	132	53.3 Å²	53.3	71%	0.706	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-15	173	64.3	-54.8	0	0	0	113.4	F827	F827-D829 WeakPolarHBondContact CA-OD1 3.28Å; F827-D829 PolarHBondContact O-N 3.42Å; F827-D829 VanDerWaalsContact O-N 3.12Å
830	K	87.8	Confident	91.4	Very high	102 Å²	102	53.1 Å²	53.1	44%	0.443	26%	0.255	S	S	.	.			trans	-96.8	118.5	-178.8	-64	-170.3	-179.7	179.2	0	111.6	H792 F827 A828 R832	H792-K830 PolarHBondContact CE1-O 2.87Å; H792-K830 VanDerWaalsContact CE1-O 3.29Å; F827-K830 HydrophobicContact CB-CD 4.22Å; F827-K830 HydrophobicContact CB-CG 4.34Å; F827-K830 WeakPolarHBondContact O-CB 3.47Å; F827-K830 PolarHBondContact O-N 3.42Å; A828-K830 PolarHBondContact O-N 2.89Å; K830-R832 PolarHBondContact O-N 2.8Å
831	E	88.8	Confident	91.5	Very high	155 Å²	155	53.2 Å²	53.2	72%	0.724	26%	0.257	S	S	*	.	S	Bend	trans	-67.7	-17.3	178.2	-61	-174.9	160.9	0	0	114.5	H792	H792-E831 PolarHBondContact CE1-O 3.37Å
832	R	93.4	Very high	91.5	Very high	159 Å²	159	58.3 Å²	58.3	60%	0.6	28%	0.276	S	S	*	.			trans	-152.5	150.9	179.9	61	178.4	-176.7	177.7	1.2	113	T787 K830	T787-R832 WeakPolarHBondContact O-CA 3.29Å; T787-R832 WeakPolarHBondContact O-CB 3.28Å; K830-R832 PolarHBondContact O-N 2.8Å
833	H	94.2	Very high	91.6	Very high	8 Å²	8	65.3 Å²	65.3	4%	0.037	31%	0.313	C	S	.	.			trans	-124.3	135.7	174.6	-64.5	96	0	0	0	110.5	Y786 T787 H792 I820	Y786-H833 WeakPolarHBondContact CA-O 3.36Å; T787-H833 PolarHBondContact N-O 2.94Å; T787-H833 WeakPolarHBondContact OG1-CA 3.38Å; T787-H833 WeakPolarHBondContact OG1-CB 3.27Å; T787-H833 PolarHBondContact OG1-N 2.86Å; T787-H833 PolarHBondContact OG1-O 2.91Å; H792-H833 AromaticContact CE1-CE1 3.99Å; H792-H833 AromaticContact CE1-ND1 3.58Å; H792-H833 AromaticContact NE2-ND1 3.47Å; H792-H833 PolarHBondContact NE2-ND1 2.94Å; I820-H833 HydrophobicContact CD1-CB 4.42Å
834	Q	95.2	Very high	91.7	Very high	89 Å²	89	65.4 Å²	65.4	42%	0.416	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	137.4	179.6	-170	176.1	62.9	0	0	112	L784 Y786 F836	L784-Q834 HydrophobicContact CD1-CG 3.19Å; L784-Q834 HydrophobicContact CG-CG 4.35Å; Y786-Q834 HydrophobicContact CD1-CB 4.18Å; Y786-Q834 HydrophobicContact CE1-CB 3.98Å; Y786-Q834 HydrophobicContact CE1-CG 3.99Å; Q834-F836 HydrophobicContact CG-CE2 3.94Å; Q834-F836 HydrophobicContact CG-CZ 4.19Å; Q834-F836 VanDerWaalsContact OE1-CE2 3.26Å
835	L	97	Very high	91.9	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.8	175.5	-57.4	177.8	0	0	0	109.9	L784 T785 T787 Q850 L852 I868	L784-L835 VanDerWaalsContact CD1-O 3.23Å; L784-L835 WeakPolarHBondContact CD1-O 3.46Å; T785-L835 HydrophobicContact CG2-CB 3.97Å; T785-L835 HydrophobicContact CG2-CD1 4.42Å; T785-L835 PolarHBondContact N-O 2.6Å; T785-L835 PolarHBondContact O-N 3.09Å; T785-L835 VanDerWaalsContact O-O 3.08Å; T787-L835 HydrophobicContact CG2-CD1 3.82Å; T787-L835 HydrophobicContact CG2-CD2 4.37Å; T787-L835 HydrophobicContact CG2-CG 4.24Å; L835-Q850 CarbonylContact C-O 3.53Å; L835-Q850 VanDerWaalsContact CA-O 3.28Å; L835-Q850 WeakPolarHBondContact CA-O 3.49Å; L835-L852 HydrophobicContact CD1-CD1 4.34Å; L835-L852 HydrophobicContact CD2-CB 4.03Å; L835-L852 HydrophobicContact CD2-CD1 4.28Å; L835-I868 HydrophobicContact CD1-CD1 3.53Å; L835-I868 HydrophobicContact CD1-CG1 4.2Å; L835-I868 HydrophobicContact CD1-CG2 4.25Å
836	F	97.3	Very high	92.3	Very high	43 Å²	43	67.8 Å²	67.8	19%	0.189	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.9	171.4	-63.6	-91.3	0	0	0	110.2	Q757 W783 L784 Q834 E838 V849 Q850	Q757-F836 HydrophobicContact CG-CE1 4.38Å; W783-F836 CarbonylContact O-C 3.51Å; W783-F836 VanDerWaalsContact O-CA 3.27Å; W783-F836 WeakPolarHBondContact O-CA 3.42Å; L784-F836 HydrophobicContact CB-CD1 4.41Å; L784-F836 HydrophobicContact CB-CE1 4.36Å; L784-F836 HydrophobicContact CD1-CD1 3.73Å; L784-F836 HydrophobicContact CD1-CD2 4.37Å; L784-F836 HydrophobicContact CD1-CE1 3.46Å; L784-F836 VanDerWaalsContact CD1-CE1 3.46Å; L784-F836 HydrophobicContact CD1-CE2 4.14Å; L784-F836 HydrophobicContact CD1-CG 4.18Å; L784-F836 HydrophobicContact CD1-CZ 3.68Å; L784-F836 HydrophobicContact CG-CE1 4.33Å; Q834-F836 HydrophobicContact CG-CE2 3.94Å; Q834-F836 HydrophobicContact CG-CZ 4.19Å; Q834-F836 VanDerWaalsContact OE1-CE2 3.26Å; F836-E838 HydrophobicContact CB-CG 4.01Å; F836-V849 CarbonylContact O-C 3.5Å; F836-Q850 HydrophobicContact CB-CB 4.09Å; F836-Q850 PolarHBondContact N-O 2.8Å; F836-Q850 WeakPolarHBondContact O-CB 3.49Å; F836-Q850 PolarHBondContact O-N 3.32Å
837	L	98.2	Very high	92.9	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	107.7	173.5	-53.7	-179.5	0	0	0	107.3	I749 T754 C782 W783 T785 V847 V849 L871	I749-L837 HydrophobicContact CD1-CD1 4.35Å; I749-L837 HydrophobicContact CG2-CD1 3.95Å; T754-L837 HydrophobicContact CG2-CD1 4.06Å; C782-L837 WeakPolarHBondContact CA-O 3.4Å; C782-L837 WeakPolarHBondContact CB-O 3.23Å; W783-L837 HydrophobicContact CB-CB 4.19Å; W783-L837 HydrophobicContact CB-CD1 4.34Å; W783-L837 PolarHBondContact N-O 2.89Å; W783-L837 PolarHBondContact O-N 2.75Å; T785-L837 HydrophobicContact CG2-CD1 4.41Å; T785-L837 HydrophobicContact CG2-CD2 4.36Å; T785-L837 HydrophobicContact CG2-CG 4.31Å; L837-V847 HydrophobicContact CB-CG1 3.78Å; L837-V849 HydrophobicContact CD2-CB 4.48Å; L837-V849 HydrophobicContact CD2-CG1 3.99Å; L837-V849 HydrophobicContact CD2-CG2 4.24Å; L837-L871 HydrophobicContact CD1-CD2 4.13Å; L837-L871 HydrophobicContact CD2-CD1 4.19Å; L837-L871 HydrophobicContact CD2-CD2 4.3Å
838	E	98	Very high	93.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	108.2	-171.3	-53.4	-165.6	141.4	0	0	110.2	P588 R635 C782 F836 E840 Y848 Q850	P588-E838 HydrophobicContact CG-CB 4.02Å; R635-E838 IonicContact CZ-OE1 3.93Å; R635-E838 IonicContact CZ-OE2 3.32Å; R635-E838 IonicContact NH1-OE1 3.15Å; R635-E838 PolarHBondContact NH1-OE1 2.81Å; R635-E838 IonicContact NH2-OE1 2.97Å; R635-E838 PolarHBondContact NH2-OE1 3.01Å; R635-E838 IonicContact NH2-OE2 3.85Å; R635-E838 PolarHBondContact NH2-OE2 3.44Å; C782-E838 HydrophobicContact CB-CG 4.37Å; F836-E838 HydrophobicContact CB-CG 4.01Å; E838-E840 PolarHBondContact O-N 2.87Å; E838-Y848 PolarHBondContact N-O 3.46Å; E838-Y848 WeakPolarHBondContact O-CB 3.4Å; E838-Y848 PolarHBondContact O-N 2.92Å; E838-Q850 HydrophobicContact CG-CB 4.31Å; E838-Q850 PolarHBondContact OE1-NE2 3.4Å; E838-Q850 PolarHBondContact OE1-OE1 2.91Å; E838-Q850 PolarHBondContact OE2-NE2 3.07Å; E838-Q850 VanDerWaalsContact OE2-NE2 3.1Å
839	P	97.6	Very high	94	Very high	10 Å²	10	55.6 Å²	55.6	7%	0.065	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.4	134.3	170.2	-30.8	35.6	0	0	0	112.4	I618 Q637 I780 W783 G841	I618-P839 HydrophobicContact CD1-CB 4.13Å; I618-P839 WeakPolarHBondContact CD1-O 3.37Å; Q637-P839 VanDerWaalsContact NE2-CD 3.29Å; Q637-P839 VanDerWaalsContact NE2-N 3.16Å; Q637-P839 PolarHBondContact NE2-O 2.72Å; I780-P839 HydrophobicContact CG2-CB 4.24Å; I780-P839 HydrophobicContact CG2-CG 3.89Å; W783-P839 HydrophobicContact CH2-CG 4.39Å; W783-P839 HydrophobicContact CZ3-CG 3.63Å; P839-G841 VanDerWaalsContact C-N 3.35Å
840	E	96.2	Very high	94.4	Very high	17 Å²	17	51.6 Å²	51.6	8%	0.079	24%	0.238	C	C	.	.			trans	-82.9	-11.1	-179.2	-64.6	-151.4	160.1	0	0	113.8	P588 K640 R743 E838 T844 E846 Y848	P588-E840 HydrophobicContact CB-CB 4.46Å; P588-E840 HydrophobicContact CB-CG 4.38Å; P588-E840 HydrophobicContact CG-CG 4.29Å; K640-E840 HydrophobicContact CD-CB 4.29Å; K640-E840 VanDerWaalsContact CD-OE2 3.3Å; K640-E840 WeakPolarHBondContact CD-OE2 3.16Å; K640-E840 VanDerWaalsContact CE-OE2 3.32Å; K640-E840 WeakPolarHBondContact CE-OE2 3.38Å; K640-E840 PolarHBondContact N-O 2.75Å; K640-E840 IonicContact NZ-OE1 3.6Å; K640-E840 PolarHBondContact NZ-OE1 2.91Å; K640-E840 IonicContact NZ-OE2 3.5Å; K640-E840 PolarHBondContact NZ-OE2 2.73Å; R743-E840 IonicContact CZ-OE1 2.77Å; R743-E840 IonicContact NE-OE1 3.04Å; R743-E840 PolarHBondContact NE-OE1 2.94Å; R743-E840 IonicContact NH2-OE1 2.97Å; R743-E840 PolarHBondContact NH2-OE1 3.49Å; E838-E840 PolarHBondContact O-N 2.87Å; E840-T844 HydrophobicContact CB-CG2 4.3Å; E840-E846 HydrophobicContact CB-CB 4.36Å; E840-E846 HydrophobicContact CG-CB 4.33Å; E840-E846 PolarHBondContact N-O 2.85Å; E840-Y848 WeakPolarHBondContact OE1-CD2 3.49Å
841	G	94.2	Very high	94.6	Very high	4 Å²	4	48 Å²	48	4%	0.041	23%	0.23	C	C	.	.			trans	179.4	-177.9	178	0	0	0	0	0	112.6	D639 P839	D639-G841 VanDerWaalsContact OD2-CA 3.25Å; D639-G841 WeakPolarHBondContact OD2-CA 3.18Å; P839-G841 VanDerWaalsContact C-N 3.35Å
842	R	90.1	Very high	94.9	Very high	107 Å²	107	40.9 Å²	40.9	40%	0.404	20%	0.197	S	C	.	.	S	Bend	trans	-82.6	-34.8	180	-59.8	-174.2	178.4	-93.3	-1.9	113.2	I618 D639 L776 I780	I618-R842 HydrophobicContact CG2-CG 3.59Å; D639-R842 PolarHBondContact OD2-N 3.42Å; L776-R842 VanDerWaalsContact CD1-NH2 3.32Å; I780-R842 HydrophobicContact CD1-CB 4.38Å; I780-R842 HydrophobicContact CD1-CG 3.9Å
843	N	89.9	Confident	94.9	Very high	162 Å²	162	34 Å²	34	87%	0.866	17%	0.174	S	C	*	.	S	Bend	trans	-108.7	36.3	-173.7	-61.4	-31.4	0	0	0	111.2
844	T	88.3	Confident	94.9	Very high	54 Å²	54	33.9 Å²	33.9	33%	0.331	17%	0.173	S	C	.	.			trans	-142.7	147.6	176.9	-176.9	0	0	0	0	110.2	E840 E846	E840-T844 HydrophobicContact CB-CG2 4.3Å; T844-E846 VanDerWaalsContact C-N 3.3Å; T844-E846 HydrophobicContact CG2-CB 4.46Å; T844-E846 PolarHBondContact OG1-N 2.91Å; T844-E846 VanDerWaalsContact OG1-N 3.08Å
845	E	93.2	Very high	94.6	Very high	93 Å²	93	29.7 Å²	29.7	44%	0.435	15%	0.154	S	C	.	.			trans	-86.3	-3.3	170.2	-72.5	-71.5	114.8	0	0	111.9	K745 S746 G747 V847 M877	K745-E845 CarbonylContact C-O 3.58Å; K745-E845 WeakPolarHBondContact CA-O 3.35Å; K745-E845 HydrophobicContact CG-CB 4.01Å; S746-E845 WeakPolarHBondContact CB-O 3.23Å; S746-E845 PolarHBondContact N-O 3.26Å; G747-E845 PolarHBondContact N-OE2 3.49Å; E845-V847 PolarHBondContact O-N 2.78Å; E845-M877 HydrophobicContact CB-SD 4.45Å
846	E	94.6	Very high	94.5	Very high	24 Å²	24	29.8 Å²	29.8	11%	0.112	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	126.3	-178	-69.5	-166.3	-157.3	0	0	112.4	E840 T844 M877 R878	E840-E846 HydrophobicContact CB-CB 4.36Å; E840-E846 HydrophobicContact CG-CB 4.33Å; E840-E846 PolarHBondContact N-O 2.85Å; T844-E846 VanDerWaalsContact C-N 3.3Å; T844-E846 HydrophobicContact CG2-CB 4.46Å; T844-E846 PolarHBondContact OG1-N 2.91Å; T844-E846 VanDerWaalsContact OG1-N 3.08Å; E846-M877 HydrophobicContact CG-CE 3.76Å; E846-M877 HydrophobicContact CG-SD 3.86Å; E846-R878 VanDerWaalsContact CD-NE 3.32Å; E846-R878 IonicContact OE1-CZ 3.18Å; E846-R878 IonicContact OE1-NE 3.62Å; E846-R878 PolarHBondContact OE1-NE 3.18Å; E846-R878 IonicContact OE1-NH2 3.44Å; E846-R878 PolarHBondContact OE1-NH2 3.13Å; E846-R878 IonicContact OE2-CZ 3.9Å; E846-R878 IonicContact OE2-NE 3.81Å; E846-R878 PolarHBondContact OE2-NE 3.46Å; E846-R878 IonicContact OE2-NH2 2.89Å
847	V	97.9	Very high	94.2	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.7	174.5	179.6	0	0	0	0	109.7	R743 V744 I749 L837 E845	R743-V847 WeakPolarHBondContact CA-O 3.28Å; V744-V847 HydrophobicContact CG2-CB 4.12Å; V744-V847 HydrophobicContact CG2-CG1 4.49Å; V744-V847 PolarHBondContact N-O 3.4Å; V744-V847 WeakPolarHBondContact O-CB 3.33Å; V744-V847 PolarHBondContact O-N 2.9Å; I749-V847 HydrophobicContact CD1-CB 4.07Å; I749-V847 HydrophobicContact CD1-CG1 4.01Å; I749-V847 HydrophobicContact CD1-CG2 4.05Å; L837-V847 HydrophobicContact CB-CG1 3.78Å; E845-V847 PolarHBondContact O-N 2.78Å
848	Y	97.8	Very high	93.9	Very high	7 Å²	7	33.5 Å²	33.5	3%	0.027	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.1	177.1	-175.7	-93.5	0	0	0	110.8	C586 N587 P588 P741 R743 E838 E840 Q850	C586-Y848 WeakPolarHBondContact O-CD2 3.37Å; C586-Y848 WeakPolarHBondContact O-CE2 3.25Å; C586-Y848 PolarHBondContact SG-OH 2.95Å; N587-Y848 HydrophobicContact CB-CD1 4.36Å; N587-Y848 HydrophobicContact CB-CE1 3.7Å; N587-Y848 HydrophobicContact CB-CE2 4.42Å; P588-Y848 HydrophobicContact CG-CG 4.49Å; P741-Y848 WeakPolarHBondContact CD-OH 3.26Å; P741-Y848 HydrophobicContact CG-CD1 4.06Å; P741-Y848 HydrophobicContact CG-CD2 3.81Å; P741-Y848 HydrophobicContact CG-CE1 3.6Å; P741-Y848 HydrophobicContact CG-CE2 3.31Å; P741-Y848 HydrophobicContact CG-CG 4.15Å; R743-Y848 VanDerWaalsContact CZ-CE2 3.5Å; E838-Y848 PolarHBondContact N-O 3.46Å; E838-Y848 WeakPolarHBondContact O-CB 3.4Å; E838-Y848 PolarHBondContact O-N 2.92Å; E840-Y848 WeakPolarHBondContact OE1-CD2 3.49Å; Y848-Q850 VanDerWaalsContact C-N 3.32Å; Y848-Q850 HydrophobicContact CD1-CB 3.73Å; Y848-Q850 HydrophobicContact CE1-CB 3.72Å; Y848-Q850 HydrophobicContact CE1-CG 4.1Å; Y848-Q850 PolarHBondContact O-N 3.41Å
849	V	97.5	Very high	93.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	71.8	-179.1	-168	0	0	0	0	110.4	P741 P742 V744 F836 L837 G851 L852 L865 L871	P741-V849 HydrophobicContact CB-CB 4.44Å; P741-V849 WeakPolarHBondContact CB-O 3.42Å; P741-V849 WeakPolarHBondContact CG-O 3.4Å; P742-V849 PolarHBondContact O-N 3.34Å; V744-V849 HydrophobicContact CG1-CG2 4.17Å; V744-V849 HydrophobicContact CG2-CG2 3.84Å; F836-V849 CarbonylContact O-C 3.5Å; L837-V849 HydrophobicContact CD2-CB 4.48Å; L837-V849 HydrophobicContact CD2-CG1 3.99Å; L837-V849 HydrophobicContact CD2-CG2 4.24Å; V849-G851 PolarHBondContact O-N 3.14Å; V849-L852 HydrophobicContact CB-CB 4.32Å; V849-L852 HydrophobicContact CG1-CB 3.8Å; V849-L852 HydrophobicContact CG1-CD2 3.9Å; V849-L852 WeakPolarHBondContact O-CB 3.17Å; V849-L852 PolarHBondContact O-N 2.96Å; V849-L852 VanDerWaalsContact O-N 3.11Å; V849-L865 HydrophobicContact CG2-CD2 4.27Å; V849-L871 HydrophobicContact CG1-CD1 4.48Å
850	Q	95.2	Very high	93.7	Very high	49 Å²	49	37.1 Å²	37.1	23%	0.229	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	130.8	-177.4	-173.9	-178.7	83.8	0	0	111.6	R635 L835 F836 E838 Y848	R635-Q850 VanDerWaalsContact NH2-NE2 3.11Å; L835-Q850 CarbonylContact C-O 3.53Å; L835-Q850 VanDerWaalsContact CA-O 3.28Å; L835-Q850 WeakPolarHBondContact CA-O 3.49Å; F836-Q850 HydrophobicContact CB-CB 4.09Å; F836-Q850 PolarHBondContact N-O 2.8Å; F836-Q850 WeakPolarHBondContact O-CB 3.49Å; F836-Q850 PolarHBondContact O-N 3.32Å; E838-Q850 HydrophobicContact CG-CB 4.31Å; E838-Q850 PolarHBondContact OE1-NE2 3.4Å; E838-Q850 PolarHBondContact OE1-OE1 2.91Å; E838-Q850 PolarHBondContact OE2-NE2 3.07Å; E838-Q850 VanDerWaalsContact OE2-NE2 3.1Å; Y848-Q850 VanDerWaalsContact C-N 3.32Å; Y848-Q850 HydrophobicContact CD1-CB 3.73Å; Y848-Q850 HydrophobicContact CE1-CB 3.72Å; Y848-Q850 HydrophobicContact CE1-CG 4.1Å; Y848-Q850 PolarHBondContact O-N 3.41Å
851	G	92.8	Very high	93.7	Very high	27 Å²	27	36.5 Å²	36.5	28%	0.278	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	-9.3	-178.3	0	0	0	0	0	113.9	V849	V849-G851 PolarHBondContact O-N 3.14Å
852	L	95.2	Very high	93.9	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	20%	0.201	C	C	.	.			trans	-104.1	28.5	174.8	-157.6	69.6	0	0	0	112.5	P741 P742 T787 I820 L835 V849 T854 V864 L865 I868	P741-L852 WeakPolarHBondContact CA-O 3.4Å; P741-L852 HydrophobicContact CB-CB 4.27Å; P741-L852 WeakPolarHBondContact CB-O 3.4Å; P742-L852 HydrophobicContact CG-CD2 4.1Å; T787-L852 HydrophobicContact CG2-CD1 4.33Å; I820-L852 HydrophobicContact CB-CD1 4.16Å; I820-L852 HydrophobicContact CD1-CD1 4.37Å; I820-L852 HydrophobicContact CG1-CD1 3.85Å; I820-L852 HydrophobicContact CG2-CD1 4.09Å; L835-L852 HydrophobicContact CD1-CD1 4.34Å; L835-L852 HydrophobicContact CD2-CB 4.03Å; L835-L852 HydrophobicContact CD2-CD1 4.28Å; V849-L852 HydrophobicContact CB-CB 4.32Å; V849-L852 HydrophobicContact CG1-CB 3.8Å; V849-L852 HydrophobicContact CG1-CD2 3.9Å; V849-L852 WeakPolarHBondContact O-CB 3.17Å; V849-L852 PolarHBondContact O-N 2.96Å; V849-L852 VanDerWaalsContact O-N 3.11Å; L852-T854 PolarHBondContact O-N 3.47Å; L852-V864 HydrophobicContact CD1-CG1 4.03Å; L852-V864 HydrophobicContact CD2-CG1 4.43Å; L852-L865 HydrophobicContact CD2-CD2 3.7Å; L852-L865 HydrophobicContact CD2-CG 4.4Å; L852-I868 HydrophobicContact CD1-CD1 4.26Å; L852-I868 HydrophobicContact CD2-CD1 3.99Å
853	S	92.8	Very high	94.2	Very high	16 Å²	16	37.9 Å²	37.9	11%	0.112	20%	0.203	C	C	.	.			trans	-56.6	129	173.8	-66.3	0	0	0	0	109	G739 S819 I820	G739-S853 PolarHBondContact O-OG 2.92Å; S819-S853 CarbonylContact C-O 3.57Å; S819-S853 WeakPolarHBondContact CA-O 3.34Å; S819-S853 VanDerWaalsContact CB-O 3.3Å; S819-S853 WeakPolarHBondContact CB-O 3.32Å; I820-S853 PolarHBondContact N-O 3.37Å
854	T	93.5	Very high	94.6	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.031	16%	0.163	C	C	.	.			trans	-149.9	156.7	-170.4	-178.1	0	0	0	0	110.4	E821 L852 L856 Q861 Y881	E821-T854 WeakPolarHBondContact OE2-CA 3.44Å; E821-T854 PolarHBondContact OE2-OG1 2.58Å; L852-T854 PolarHBondContact O-N 3.47Å; T854-L856 WeakPolarHBondContact OG1-CB 3.39Å; T854-L856 PolarHBondContact OG1-N 3.28Å; T854-Q861 HydrophobicContact CG2-CG 3.7Å; T854-Y881 CarbonylContact O-C 3.6Å; T854-Y881 WeakPolarHBondContact O-CA 3.46Å; T854-Y881 PolarHBondContact O-N 2.96Å
855	S	90.2	Very high	95.1	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	15%	0.147	C	C	.	.			trans	-123.2	17.5	168.1	54.6	0	0	0	0	112.1	G705 K737 P803 E821	G705-S855 WeakPolarHBondContact CA-O 3.49Å; G705-S855 PolarHBondContact N-O 3.21Å; K737-S855 PolarHBondContact NZ-OG 3.49Å; P803-S855 WeakPolarHBondContact CD-O 3.39Å; P803-S855 WeakPolarHBondContact CD-OG 3.47Å; E821-S855 PolarHBondContact OE1-N 3.09Å; E821-S855 VanDerWaalsContact OE1-N 3.08Å; E821-S855 PolarHBondContact OE1-OG 3.3Å
856	L	93.3	Very high	95.3	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	14%	0.141	C	C	.	.	S	Bend	trans	-68.5	157.4	174.6	-71.9	166.7	0	0	0	111.2	I795 N798 A802 E821 T854 V860 Q861	I795-L856 HydrophobicContact CG1-CD1 4.09Å; I795-L856 HydrophobicContact CG2-CD1 4.36Å; N798-L856 HydrophobicContact CB-CD2 4.43Å; A802-L856 HydrophobicContact CB-CD2 3.57Å; A802-L856 HydrophobicContact CB-CG 4.39Å; E821-L856 HydrophobicContact CB-CD1 4.44Å; T854-L856 WeakPolarHBondContact OG1-CB 3.39Å; T854-L856 PolarHBondContact OG1-N 3.28Å; L856-V860 HydrophobicContact CB-CB 4.3Å; L856-V860 HydrophobicContact CB-CG1 4.27Å; L856-V860 HydrophobicContact CD1-CG1 3.96Å; L856-V860 HydrophobicContact CD2-CG1 4.44Å; L856-V860 HydrophobicContact CG-CG1 4.46Å; L856-Q861 HydrophobicContact CB-CG 4.27Å; L856-Q861 PolarHBondContact O-NE2 3.48Å
857	P	91.9	Very high	95.4	Very high	6 Å²	6	25.8 Å²	25.8	4%	0.039	14%	0.139	C	C	.	.			trans	-56.2	152.3	172.1	-22.6	31.6	0	0	0	113.2	E706 R801 D859 V860 Q861	E706-P857 WeakPolarHBondContact OE2-CG 3.38Å; R801-P857 HydrophobicContact CB-CG 3.91Å; R801-P857 VanDerWaalsContact CZ-CG 3.46Å; P857-D859 VanDerWaalsContact C-N 3.34Å; P857-D859 WeakPolarHBondContact CB-OD1 3.28Å; P857-D859 PolarHBondContact O-N 2.8Å; P857-V860 HydrophobicContact CB-CG2 4.24Å; P857-V860 HydrophobicContact CG-CG2 4.27Å; P857-V860 PolarHBondContact O-N 3.49Å; P857-V860 VanDerWaalsContact O-N 3.13Å; P857-Q861 WeakPolarHBondContact O-CG 3.43Å; P857-Q861 PolarHBondContact O-N 3.25Å
858	E	92.2	Very high	95.5	Very high	115 Å²	115	25.8 Å²	25.8	54%	0.537	14%	0.139	S	C	.	.	H	α-helix	trans	-56.8	-42.8	-175.9	-174.4	170.1	141.1	0	0	113.5	V860 Q861 N862 M876 T879	E858-V860 VanDerWaalsContact C-N 3.31Å; E858-V860 PolarHBondContact O-N 3.11Å; E858-Q861 WeakPolarHBondContact O-CB 3.5Å; E858-Q861 PolarHBondContact O-N 2.79Å; E858-Q861 VanDerWaalsContact O-N 3.17Å; E858-N862 PolarHBondContact O-N 3.09Å; E858-M876 HydrophobicContact CG-SD 4.27Å; E858-T879 HydrophobicContact CB-CG2 3.86Å; E858-T879 HydrophobicContact CG-CG2 3.98Å; E858-T879 WeakPolarHBondContact CG-OG1 3.31Å; E858-T879 PolarHBondContact OE2-OG1 2.75Å
859	D	94.8	Very high	95.4	Very high	84 Å²	84	30.7 Å²	30.7	45%	0.449	16%	0.162	S	C	.	.	H	α-helix	trans	-58.6	-43.7	178.1	62.3	-58.3	0	0	0	111.5	R801 P857 N862 D863	R801-D859 IonicContact CZ-OD1 3.33Å; R801-D859 IonicContact CZ-OD2 2.68Å; R801-D859 IonicContact NH1-OD1 2.8Å; R801-D859 PolarHBondContact NH1-OD1 3.41Å; R801-D859 IonicContact NH1-OD2 2.79Å; R801-D859 PolarHBondContact NH1-OD2 3.34Å; R801-D859 IonicContact NH2-OD1 3.39Å; R801-D859 PolarHBondContact NH2-OD1 3.26Å; R801-D859 IonicContact NH2-OD2 2.72Å; P857-D859 VanDerWaalsContact C-N 3.34Å; P857-D859 WeakPolarHBondContact CB-OD1 3.28Å; P857-D859 PolarHBondContact O-N 2.8Å; D859-N862 PolarHBondContact O-N 3.34Å; D859-D863 PolarHBondContact O-N 2.86Å; D859-D863 VanDerWaalsContact O-N 3.07Å
860	V	95.5	Very high	95.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-68.6	-39.7	177.5	-175.6	0	0	0	0	111.1	I794 N798 L856 P857 E858 N862 D863 V864	I794-V860 HydrophobicContact CG2-CG1 4.2Å; N798-V860 HydrophobicContact CB-CG1 3.7Å; N798-V860 HydrophobicContact CB-CG2 3.99Å; N798-V860 WeakPolarHBondContact OD1-CG2 3.44Å; L856-V860 HydrophobicContact CB-CB 4.3Å; L856-V860 HydrophobicContact CB-CG1 4.27Å; L856-V860 HydrophobicContact CD1-CG1 3.96Å; L856-V860 HydrophobicContact CD2-CG1 4.44Å; L856-V860 HydrophobicContact CG-CG1 4.46Å; P857-V860 HydrophobicContact CB-CG2 4.24Å; P857-V860 HydrophobicContact CG-CG2 4.27Å; P857-V860 PolarHBondContact O-N 3.49Å; P857-V860 VanDerWaalsContact O-N 3.13Å; E858-V860 VanDerWaalsContact C-N 3.31Å; E858-V860 PolarHBondContact O-N 3.11Å; V860-N862 VanDerWaalsContact C-N 3.27Å; V860-N862 PolarHBondContact O-N 2.91Å; V860-D863 PolarHBondContact O-N 3.1Å; V860-V864 HydrophobicContact CG1-CG2 4.45Å; V860-V864 VanDerWaalsContact O-CG2 3.27Å; V860-V864 WeakPolarHBondContact O-CG2 3.44Å; V860-V864 PolarHBondContact O-N 3.03Å
861	Q	97.2	Very high	95.5	Very high	5 Å²	5	28.4 Å²	28.4	2%	0.023	15%	0.152	C	C	.	.	H	α-helix	trans	-60.5	-41.2	176.3	-68.3	-171.1	45.6	0	0	111.3	T854 L856 P857 E858 V864 L865 M876 T879 G880	T854-Q861 HydrophobicContact CG2-CG 3.7Å; L856-Q861 HydrophobicContact CB-CG 4.27Å; L856-Q861 PolarHBondContact O-NE2 3.48Å; P857-Q861 WeakPolarHBondContact O-CG 3.43Å; P857-Q861 PolarHBondContact O-N 3.25Å; E858-Q861 WeakPolarHBondContact O-CB 3.5Å; E858-Q861 PolarHBondContact O-N 2.79Å; E858-Q861 VanDerWaalsContact O-N 3.17Å; Q861-V864 PolarHBondContact O-N 2.9Å; Q861-L865 WeakPolarHBondContact O-CG 3.39Å; Q861-L865 PolarHBondContact O-N 2.84Å; Q861-M876 HydrophobicContact CB-CE 3.6Å; Q861-T879 VanDerWaalsContact NE2-CG2 3.34Å; Q861-G880 PolarHBondContact NE2-O 3.32Å; Q861-G880 VanDerWaalsContact OE1-CA 3.31Å
862	N	97.1	Very high	95.7	Very high	54 Å²	54	30 Å²	30	29%	0.289	15%	0.152	S	C	.	.	H	α-helix	trans	-64.5	-44.8	177.8	-166.4	53.6	0	0	0	111.5	E858 D859 V860 V864 L865 H866 M876	E858-N862 PolarHBondContact O-N 3.09Å; D859-N862 PolarHBondContact O-N 3.34Å; V860-N862 VanDerWaalsContact C-N 3.27Å; V860-N862 PolarHBondContact O-N 2.91Å; N862-V864 VanDerWaalsContact C-N 3.3Å; N862-V864 PolarHBondContact O-N 3.05Å; N862-L865 WeakPolarHBondContact O-CB 3.37Å; N862-L865 PolarHBondContact O-N 3.31Å; N862-H866 PolarHBondContact O-N 2.97Å; N862-H866 PolarHBondContact OD1-CE1 3.27Å; N862-M876 HydrophobicContact CB-CE 3.87Å
863	D	97.9	Very high	95.8	Very high	86 Å²	86	36.3 Å²	36.3	46%	0.46	19%	0.185	S	C	.	.	H	α-helix	trans	-59.2	-41.1	174.4	-77	-12.8	0	0	0	112.2	I794 D859 V860 S867	I794-D863 HydrophobicContact CD1-CB 4.39Å; I794-D863 HydrophobicContact CG2-CB 3.93Å; D859-D863 PolarHBondContact O-N 2.86Å; D859-D863 VanDerWaalsContact O-N 3.07Å; V860-D863 PolarHBondContact O-N 3.1Å; D863-S867 PolarHBondContact O-N 2.8Å; D863-S867 VanDerWaalsContact O-N 3.14Å
864	V	97.6	Very high	95.9	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.024	18%	0.181	C	C	.	.	H	α-helix	trans	-65.6	-44.9	176	173.6	0	0	0	0	110.9	I794 I795 L852 V860 Q861 N862 H866 S867 I868	I794-V864 HydrophobicContact CB-CG2 4.21Å; I794-V864 HydrophobicContact CG2-CG2 3.63Å; I795-V864 HydrophobicContact CD1-CG1 4.05Å; I795-V864 HydrophobicContact CD1-CG2 4.04Å; I795-V864 HydrophobicContact CG1-CG1 4.47Å; I795-V864 HydrophobicContact CG1-CG2 3.56Å; L852-V864 HydrophobicContact CD1-CG1 4.03Å; L852-V864 HydrophobicContact CD2-CG1 4.43Å; V860-V864 HydrophobicContact CG1-CG2 4.45Å; V860-V864 VanDerWaalsContact O-CG2 3.27Å; V860-V864 WeakPolarHBondContact O-CG2 3.44Å; V860-V864 PolarHBondContact O-N 3.03Å; Q861-V864 PolarHBondContact O-N 2.9Å; N862-V864 VanDerWaalsContact C-N 3.3Å; N862-V864 PolarHBondContact O-N 3.05Å; V864-H866 PolarHBondContact O-N 3.42Å; V864-S867 WeakPolarHBondContact O-CB 3.45Å; V864-S867 PolarHBondContact O-N 2.96Å; V864-S867 VanDerWaalsContact O-N 3.16Å; V864-S867 PolarHBondContact O-OG 2.87Å; V864-I868 HydrophobicContact CG1-CD1 4.32Å; V864-I868 WeakPolarHBondContact O-CG1 3.37Å
865	L	97.9	Very high	96	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56.9	-50.5	176.3	-76.1	172.7	0	0	0	111.1	P742 V744 V849 L852 Q861 N862 S867 I868 L871 M876	P742-L865 HydrophobicContact CB-CD1 4.24Å; P742-L865 HydrophobicContact CG-CD1 4.13Å; P742-L865 HydrophobicContact CG-CD2 4.07Å; P742-L865 HydrophobicContact CG-CG 4.3Å; V744-L865 HydrophobicContact CG1-CD1 3.73Å; V744-L865 HydrophobicContact CG1-CD2 3.97Å; V744-L865 HydrophobicContact CG1-CG 4.49Å; V849-L865 HydrophobicContact CG2-CD2 4.27Å; L852-L865 HydrophobicContact CD2-CD2 3.7Å; L852-L865 HydrophobicContact CD2-CG 4.4Å; Q861-L865 WeakPolarHBondContact O-CG 3.39Å; Q861-L865 PolarHBondContact O-N 2.84Å; N862-L865 WeakPolarHBondContact O-CB 3.37Å; N862-L865 PolarHBondContact O-N 3.31Å; L865-S867 PolarHBondContact O-N 2.81Å; L865-S867 VanDerWaalsContact O-N 3.13Å; L865-I868 WeakPolarHBondContact O-CB 3.23Å; L865-I868 PolarHBondContact O-N 3.05Å; L865-L871 HydrophobicContact CD2-CD1 3.97Å; L865-L871 VanDerWaalsContact O-CB 3.29Å; L865-L871 WeakPolarHBondContact O-CB 3.46Å; L865-M876 HydrophobicContact CD1-CB 4.14Å; L865-M876 HydrophobicContact CD1-CE 3.45Å; L865-M876 VanDerWaalsContact CD1-CE 3.45Å; L865-M876 HydrophobicContact CD1-CG 4.09Å
866	H	98.4	Very high	96.2	Very high	66 Å²	66	42 Å²	42	31%	0.306	21%	0.21	S	C	.	.	H	α-helix	trans	-69.8	-9.8	-179	-65.9	171.7	0	0	0	113.9	N862 V864 L871 A874	N862-H866 PolarHBondContact O-N 2.97Å; N862-H866 PolarHBondContact OD1-CE1 3.27Å; V864-H866 PolarHBondContact O-N 3.42Å; H866-L871 PolarHBondContact CD2-O 3.01Å; H866-A874 PolarHBondContact NE2-O 2.83Å
867	S	97.7	Very high	96.1	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-83.8	-18.3	170.9	80.5	0	0	0	0	113.8	N788 S791 D863 V864 L865	N788-S867 PolarHBondContact ND2-O 2.84Å; S791-S867 VanDerWaalsContact CA-OG 3.26Å; S791-S867 WeakPolarHBondContact CA-OG 3.43Å; S791-S867 VanDerWaalsContact CB-OG 3.24Å; S791-S867 WeakPolarHBondContact CB-OG 3.12Å; S791-S867 PolarHBondContact OG-OG 2.78Å; D863-S867 PolarHBondContact O-N 2.8Å; D863-S867 VanDerWaalsContact O-N 3.14Å; V864-S867 WeakPolarHBondContact O-CB 3.45Å; V864-S867 PolarHBondContact O-N 2.96Å; V864-S867 VanDerWaalsContact O-N 3.16Å; V864-S867 PolarHBondContact O-OG 2.87Å; L865-S867 PolarHBondContact O-N 2.81Å; L865-S867 VanDerWaalsContact O-N 3.13Å
868	I	97.9	Very high	96	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-86.1	137.7	-174.6	-67.4	158.8	0	0	0	110	T785 L835 L852 V864 L865 G870 L871	T785-I868 HydrophobicContact CG2-CG2 3.77Å; L835-I868 HydrophobicContact CD1-CD1 3.53Å; L835-I868 HydrophobicContact CD1-CG1 4.2Å; L835-I868 HydrophobicContact CD1-CG2 4.25Å; L852-I868 HydrophobicContact CD1-CD1 4.26Å; L852-I868 HydrophobicContact CD2-CD1 3.99Å; V864-I868 HydrophobicContact CG1-CD1 4.32Å; V864-I868 WeakPolarHBondContact O-CG1 3.37Å; L865-I868 WeakPolarHBondContact O-CB 3.23Å; L865-I868 PolarHBondContact O-N 3.05Å; I868-G870 PolarHBondContact O-N 2.69Å; I868-L871 HydrophobicContact CB-CB 4.23Å; I868-L871 HydrophobicContact CB-CD1 4.1Å; I868-L871 HydrophobicContact CB-CG 4.42Å; I868-L871 HydrophobicContact CD1-CD1 4.34Å; I868-L871 HydrophobicContact CG2-CB 4.42Å; I868-L871 HydrophobicContact CG2-CD1 3.85Å; I868-L871 HydrophobicContact CG2-CG 4.12Å; I868-L871 PolarHBondContact O-N 2.79Å
869	E	96.7	Very high	96	Very high	111 Å²	111	45.9 Å²	45.9	52%	0.519	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	125.7	179.9	-177.6	167.4	-163.7	0	0	111.2	K753 T785 L871	K753-E869 HydrophobicContact CB-CG 3.85Å; K753-E869 HydrophobicContact CD-CG 4.13Å; T785-E869 PolarHBondContact OG1-O 3.21Å; E869-L871 VanDerWaalsContact C-N 3.34Å
870	G	96.8	Very high	95.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.01	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	-13	-173.5	0	0	0	0	0	114.4	D750 I868 E872	D750-G870 PolarHBondContact N-O 3.38Å; I868-G870 PolarHBondContact O-N 2.69Å; G870-E872 WeakPolarHBondContact CA-OE2 3.41Å; G870-E872 PolarHBondContact N-OE2 2.79Å
871	L	98.3	Very high	95.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.			trans	-113	14.9	-178.4	-59.2	-176.5	0	0	0	113	V744 I749 L837 V849 L865 H866 I868 E869 N873 A874	V744-L871 HydrophobicContact CG2-CD2 4.47Å; I749-L871 HydrophobicContact CB-CD2 4.41Å; I749-L871 HydrophobicContact CD1-CD2 4.14Å; I749-L871 HydrophobicContact CG1-CD2 3.84Å; I749-L871 HydrophobicContact CG2-CD2 3.97Å; L837-L871 HydrophobicContact CD1-CD2 4.13Å; L837-L871 HydrophobicContact CD2-CD1 4.19Å; L837-L871 HydrophobicContact CD2-CD2 4.3Å; V849-L871 HydrophobicContact CG1-CD1 4.48Å; L865-L871 HydrophobicContact CD2-CD1 3.97Å; L865-L871 VanDerWaalsContact O-CB 3.29Å; L865-L871 WeakPolarHBondContact O-CB 3.46Å; H866-L871 PolarHBondContact CD2-O 3.01Å; I868-L871 HydrophobicContact CB-CB 4.23Å; I868-L871 HydrophobicContact CB-CD1 4.1Å; I868-L871 HydrophobicContact CB-CG 4.42Å; I868-L871 HydrophobicContact CD1-CD1 4.34Å; I868-L871 HydrophobicContact CG2-CB 4.42Å; I868-L871 HydrophobicContact CG2-CD1 3.85Å; I868-L871 HydrophobicContact CG2-CG 4.12Å; I868-L871 PolarHBondContact O-N 2.79Å; E869-L871 VanDerWaalsContact C-N 3.34Å; L871-N873 PolarHBondContact O-N 2.8Å; L871-N873 VanDerWaalsContact O-N 3.13Å; L871-A874 HydrophobicContact CB-CB 3.88Å; L871-A874 HydrophobicContact CD2-CB 3.98Å; L871-A874 HydrophobicContact CG-CB 4.5Å; L871-A874 VanDerWaalsContact O-CB 3.32Å; L871-A874 WeakPolarHBondContact O-CB 3.45Å; L871-A874 PolarHBondContact O-N 3.27Å
872	E	97.7	Very high	95.2	Very high	61 Å²	61	42.7 Å²	42.7	29%	0.285	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.5	-173.4	-58.7	94.9	149.3	0	0	113.9	K753 G870	K753-E872 IonicContact NZ-OE1 2.65Å; K753-E872 PolarHBondContact NZ-OE1 2.81Å; K753-E872 IonicContact NZ-OE2 3.92Å; K753-E872 PolarHBondContact NZ-OE2 2.81Å; G870-E872 WeakPolarHBondContact CA-OE2 3.41Å; G870-E872 PolarHBondContact N-OE2 2.79Å
873	N	96.4	Very high	94.8	Very high	135 Å²	135	40.4 Å²	40.4	72%	0.722	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.1	17.8	175.4	-55	-66.2	0	0	0	111.9	L871 E875	L871-N873 PolarHBondContact O-N 2.8Å; L871-N873 VanDerWaalsContact O-N 3.13Å; N873-E875 PolarHBondContact O-N 3.38Å
874	A	95.4	Very high	94.4	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.017	18%	0.175	C	C	.	.			trans	-63.7	130	-175.7	0	0	0	0	0	110.5	V744 S748 H866 L871	V744-A874 HydrophobicContact CB-CB 4.29Å; V744-A874 HydrophobicContact CG1-CB 4.17Å; S748-A874 WeakPolarHBondContact OG-CA 3.38Å; H866-A874 PolarHBondContact NE2-O 2.83Å; L871-A874 HydrophobicContact CB-CB 3.88Å; L871-A874 HydrophobicContact CD2-CB 3.98Å; L871-A874 HydrophobicContact CG-CB 4.5Å; L871-A874 VanDerWaalsContact O-CB 3.32Å; L871-A874 WeakPolarHBondContact O-CB 3.45Å; L871-A874 PolarHBondContact O-N 3.27Å
875	E	95.7	Very high	94.1	Very high	103 Å²	103	36.1 Å²	36.1	48%	0.481	17%	0.173	S	C	.	.			trans	-86.4	115.1	174.7	-172.4	-176.6	164.3	0	0	108.1	V744 K745 S748 N873 M877	V744-E875 CarbonylContact C-O 3.58Å; V744-E875 VanDerWaalsContact CA-O 3.25Å; V744-E875 WeakPolarHBondContact CA-O 3.37Å; K745-E875 HydrophobicContact CB-CB 4.11Å; K745-E875 HydrophobicContact CD-CB 4.39Å; K745-E875 WeakPolarHBondContact CD-OE2 3.48Å; K745-E875 PolarHBondContact N-O 2.87Å; K745-E875 IonicContact NZ-OE1 3.95Å; K745-E875 IonicContact NZ-OE2 3.91Å; K745-E875 PolarHBondContact NZ-OE2 3.31Å; S748-E875 PolarHBondContact OG-N 3.19Å; N873-E875 PolarHBondContact O-N 3.38Å; E875-M877 PolarHBondContact O-N 3.39Å
876	M	94.3	Very high	93.9	Very high	36 Å²	36	36.3 Å²	36.3	18%	0.177	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	122.7	174.8	-166.3	-171.3	-57.9	0	0	109.4	P742 E858 Q861 N862 L865	P742-M876 HydrophobicContact CB-CE 4.44Å; P742-M876 HydrophobicContact CB-CG 4.09Å; P742-M876 HydrophobicContact CB-SD 4.13Å; E858-M876 HydrophobicContact CG-SD 4.27Å; Q861-M876 HydrophobicContact CB-CE 3.6Å; N862-M876 HydrophobicContact CB-CE 3.87Å; L865-M876 HydrophobicContact CD1-CB 4.14Å; L865-M876 HydrophobicContact CD1-CE 3.45Å; L865-M876 VanDerWaalsContact CD1-CE 3.45Å; L865-M876 HydrophobicContact CD1-CG 4.09Å
877	M	90.3	Very high	93.6	Very high	79 Å²	79	33.2 Å²	33.2	39%	0.389	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-33.8	176.7	-65.2	-174.4	69.3	0	0	112.1	R743 K745 E845 E846 E875	R743-M877 PolarHBondContact O-N 3.29Å; K745-M877 VanDerWaalsContact CA-SD 3.55Å; K745-M877 HydrophobicContact CB-CG 3.87Å; K745-M877 HydrophobicContact CB-SD 3.66Å; K745-M877 HydrophobicContact CG-SD 4.02Å; E845-M877 HydrophobicContact CB-SD 4.45Å; E846-M877 HydrophobicContact CG-CE 3.76Å; E846-M877 HydrophobicContact CG-SD 3.86Å; E875-M877 PolarHBondContact O-N 3.39Å
878	R	90.3	Very high	93.5	Very high	100 Å²	100	32.8 Å²	32.8	38%	0.377	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	135.2	174.6	-57	-178.5	-174.7	-112.8	-6.8	110.4	P742 R743 E846	P742-R878 CarbonylContact C-O 3.55Å; P742-R878 WeakPolarHBondContact CA-O 3.47Å; P742-R878 VanDerWaalsContact CB-O 3.31Å; P742-R878 WeakPolarHBondContact CB-O 3.38Å; R743-R878 HydrophobicContact CB-CB 4.02Å; R743-R878 HydrophobicContact CB-CG 4.25Å; R743-R878 PolarHBondContact N-O 2.78Å; R743-R878 PolarHBondContact O-N 2.79Å; E846-R878 VanDerWaalsContact CD-NE 3.32Å; E846-R878 IonicContact OE1-CZ 3.18Å; E846-R878 IonicContact OE1-NE 3.62Å; E846-R878 PolarHBondContact OE1-NE 3.18Å; E846-R878 IonicContact OE1-NH2 3.44Å; E846-R878 PolarHBondContact OE1-NH2 3.13Å; E846-R878 IonicContact OE2-CZ 3.9Å; E846-R878 IonicContact OE2-NE 3.81Å; E846-R878 PolarHBondContact OE2-NE 3.46Å; E846-R878 IonicContact OE2-NH2 2.89Å
879	T	91.4	Very high	93.3	Very high	26 Å²	26	32.8 Å²	32.8	16%	0.16	16%	0.157	C	C	.	.			trans	-71	137.2	173.8	-51.7	0	0	0	0	110.1	I704 E858 Q861	I704-T879 HydrophobicContact CD1-CG2 4.35Å; I704-T879 HydrophobicContact CG2-CG2 3.87Å; E858-T879 HydrophobicContact CB-CG2 3.86Å; E858-T879 HydrophobicContact CG-CG2 3.98Å; E858-T879 WeakPolarHBondContact CG-OG1 3.31Å; E858-T879 PolarHBondContact OE2-OG1 2.75Å; Q861-T879 VanDerWaalsContact NE2-CG2 3.34Å
880	G	91.8	Very high	93.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.			trans	-69.6	147.7	170.2	0	0	0	0	0	110.5	T740 Q861	T740-G880 VanDerWaalsContact O-CA 3.28Å; T740-G880 WeakPolarHBondContact O-CA 3.29Å; Q861-G880 PolarHBondContact NE2-O 3.32Å; Q861-G880 VanDerWaalsContact OE1-CA 3.31Å
881	Y	90.4	Very high	92.9	Very high	21 Å²	21	28.4 Å²	28.4	8%	0.082	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	160.9	-179.1	62.1	-96	0	0	0	111.3	I702 N714 G739 T740 T854 I883	I702-Y881 HydrophobicContact CD1-CD2 4.31Å; I702-Y881 HydrophobicContact CD1-CE2 4.12Å; I702-Y881 HydrophobicContact CG1-CD2 4.02Å; I702-Y881 HydrophobicContact CG1-CE2 4.1Å; I702-Y881 HydrophobicContact CG2-CD2 3.94Å; I702-Y881 HydrophobicContact CG2-CG 3.95Å; N714-Y881 PolarHBondContact N-OH 3.19Å; N714-Y881 PolarHBondContact OD1-OH 3.04Å; G739-Y881 CarbonylContact C-O 3.49Å; G739-Y881 WeakPolarHBondContact CA-O 3.47Å; T740-Y881 HydrophobicContact CG2-CD1 3.62Å; T740-Y881 HydrophobicContact CG2-CD2 4.15Å; T740-Y881 HydrophobicContact CG2-CE1 3.51Å; T740-Y881 HydrophobicContact CG2-CE2 4.04Å; T740-Y881 HydrophobicContact CG2-CG 3.93Å; T740-Y881 PolarHBondContact N-O 3.46Å; T740-Y881 PolarHBondContact O-N 3.44Å; T740-Y881 VanDerWaalsContact O-N 3.17Å; T854-Y881 CarbonylContact O-C 3.6Å; T854-Y881 WeakPolarHBondContact O-CA 3.46Å; T854-Y881 PolarHBondContact O-N 2.96Å; Y881-I883 HydrophobicContact CE2-CB 4.38Å
882	A	89.9	Confident	92.6	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.017	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	151	162.8	0	0	0	0	0	111.3	I702 I703 K737 T738	I702-A882 CarbonylContact C-O 3.24Å; I702-A882 WeakPolarHBondContact CA-O 3.41Å; I703-A882 HydrophobicContact CB-CB 4.48Å; I703-A882 PolarHBondContact N-O 3.39Å; I703-A882 PolarHBondContact O-N 3.33Å; K737-A882 HydrophobicContact CD-CB 4.2Å; K737-A882 HydrophobicContact CG-CB 4.09Å; T738-A882 CarbonylContact O-C 3.51Å; T738-A882 VanDerWaalsContact O-CA 3.24Å; T738-A882 WeakPolarHBondContact O-CA 3.46Å; T738-A882 WeakPolarHBondContact O-CB 3.37Å
883	I	87.7	Confident	92.5	Very high	7 Å²	7	26.5 Å²	26.5	4%	0.036	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.9	171.4	-172.1	161.6	0	0	0	109.5	T696 E701 P713 K737 T738 Y881	T696-I883 HydrophobicContact CG2-CG2 4.49Å; E701-I883 CarbonylContact O-C 3.56Å; E701-I883 VanDerWaalsContact O-CA 3.28Å; E701-I883 WeakPolarHBondContact O-CA 3.46Å; P713-I883 HydrophobicContact CB-CD1 4.33Å; K737-I883 WeakPolarHBondContact CA-O 3.39Å; T738-I883 PolarHBondContact N-O 3.03Å; T738-I883 PolarHBondContact O-N 2.94Å; T738-I883 WeakPolarHBondContact OG1-CG2 3.24Å; Y881-I883 HydrophobicContact CE2-CB 4.38Å
884	E	90.1	Very high	92.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	141.8	165.6	-67.1	-171.6	143.1	0	0	109.4	G700 E701 I703 K708 R735 F736 K737 V809 D810 G811	G700-E884 CarbonylContact C-O 3.43Å; G700-E884 VanDerWaalsContact CA-O 3.27Å; G700-E884 WeakPolarHBondContact CA-O 3.38Å; E701-E884 HydrophobicContact CB-CB 4.49Å; E701-E884 PolarHBondContact N-O 2.84Å; E701-E884 PolarHBondContact O-N 2.93Å; I703-E884 HydrophobicContact CD1-CG 3.71Å; K708-E884 IonicContact NZ-OE2 2.71Å; K708-E884 PolarHBondContact NZ-OE2 2.9Å; R735-E884 IonicContact NH1-OE2 2.77Å; F736-E884 CarbonylContact O-C 3.57Å; F736-E884 VanDerWaalsContact O-CA 3.28Å; F736-E884 WeakPolarHBondContact O-CA 3.33Å; K737-E884 HydrophobicContact CB-CG 4.28Å; K737-E884 HydrophobicContact CG-CG 4.34Å; V809-E884 VanDerWaalsContact CA-OE1 3.26Å; V809-E884 WeakPolarHBondContact CA-OE1 3.19Å; V809-E884 WeakPolarHBondContact CG1-OE1 3.25Å; D810-E884 PolarHBondContact N-OE1 2.92Å; G811-E884 PolarHBondContact N-OE1 3.38Å
885	Y	91.2	Very high	92.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	156.3	179.4	61.7	-82.9	0	0	0	111	T696 R735 F736 T738 Q910 T914	T696-Y885 HydrophobicContact CG2-CD1 3.69Å; T696-Y885 HydrophobicContact CG2-CD2 4.33Å; T696-Y885 HydrophobicContact CG2-CE1 3.73Å; T696-Y885 HydrophobicContact CG2-CE2 4.36Å; T696-Y885 HydrophobicContact CG2-CG 4.01Å; T696-Y885 WeakPolarHBondContact O-CB 3.41Å; R735-Y885 WeakPolarHBondContact CA-O 3.44Å; F736-Y885 HydrophobicContact CB-CE1 4.18Å; F736-Y885 HydrophobicContact CB-CE2 4.24Å; F736-Y885 PolarHBondContact N-O 3.49Å; F736-Y885 PolarHBondContact O-N 2.97Å; T738-Y885 HydrophobicContact CG2-CE1 3.98Å; Y885-Q910 HydrophobicContact CE2-CB 3.98Å; Y885-T914 PolarHBondContact OH-O 3Å
886	D	92.8	Very high	92.5	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.021	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	142.6	175.7	-75.5	1.7	0	0	0	111.1	L698 R699 I733 H734 R735	L698-D886 HydrophobicContact CB-CB 4.26Å; L698-D886 HydrophobicContact CD2-CB 3.86Å; L698-D886 HydrophobicContact CG-CB 4Å; L698-D886 PolarHBondContact O-N 2.82Å; R699-D886 HydrophobicContact CB-CB 4.42Å; R699-D886 WeakPolarHBondContact CB-OD2 3.45Å; R699-D886 IonicContact CZ-OD2 2.63Å; R699-D886 IonicContact NE-OD1 3.94Å; R699-D886 IonicContact NE-OD2 3.64Å; R699-D886 PolarHBondContact NE-OD2 3.38Å; R699-D886 IonicContact NH2-OD2 2.81Å; R699-D886 PolarHBondContact NH2-OD2 2.65Å; I733-D886 HydrophobicContact CG2-CB 3.59Å; H734-D886 CarbonylContact O-C 3.47Å; H734-D886 WeakPolarHBondContact O-CA 3.49Å; R735-D886 WeakPolarHBondContact CG-OD1 3.38Å; R735-D886 IonicContact NE-OD1 2.76Å; R735-D886 PolarHBondContact NE-OD1 2.89Å
887	M	93.7	Very high	92.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.3	171.6	70.4	77.2	146.2	0	0	110.3	I733 H734 F736 T911 T962	I733-M887 CarbonylContact C-O 3.54Å; I733-M887 VanDerWaalsContact CA-O 3.3Å; I733-M887 WeakPolarHBondContact CA-O 3.25Å; H734-M887 HydrophobicContact CB-CE 3.99Å; H734-M887 HydrophobicContact CB-CG 4.26Å; H734-M887 HydrophobicContact CB-SD 3.95Å; H734-M887 PolarHBondContact N-O 3.08Å; H734-M887 PolarHBondContact O-N 3.25Å; F736-M887 HydrophobicContact CD2-CE 4.13Å; F736-M887 HydrophobicContact CD2-CG 3.9Å; F736-M887 HydrophobicContact CE1-CE 3.79Å; F736-M887 HydrophobicContact CE2-CE 3.33Å; F736-M887 HydrophobicContact CE2-CG 4.06Å; F736-M887 HydrophobicContact CG-CG 4.22Å; F736-M887 HydrophobicContact CZ-CE 3.11Å; F736-M887 HydrophobicContact CZ-CG 4.48Å; M887-T911 CarbonylContact C-O 3.56Å; M887-T911 WeakPolarHBondContact CA-O 3.18Å; M887-T911 WeakPolarHBondContact CB-O 3.27Å; M887-T962 HydrophobicContact CE-CG2 4.07Å
888	V	94.6	Very high	93.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	125.5	172.2	176.8	0	0	0	0	108.3	L731 I733 P890 T907 T911	L731-V888 HydrophobicContact CD2-CG1 4.07Å; I733-V888 HydrophobicContact CD1-CB 4.38Å; I733-V888 HydrophobicContact CD1-CG2 3.68Å; V888-P890 WeakPolarHBondContact O-CD 3.38Å; V888-T907 HydrophobicContact CG2-CG2 4.27Å; V888-T911 HydrophobicContact CG2-CG2 4.11Å; V888-T911 PolarHBondContact N-O 3.36Å
889	A	93.7	Very high	93.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.052	C	C	.	.			trans	-58.8	116.6	-177.6	0	0	0	0	0	110.2	E732 H734 H891 Q892	E732-A889 HydrophobicContact CB-CB 4.12Å; E732-A889 HydrophobicContact CG-CB 4.15Å; E732-A889 WeakPolarHBondContact O-CB 3.4Å; E732-A889 PolarHBondContact O-N 3.37Å; H734-A889 WeakPolarHBondContact NE2-CB 3.07Å; A889-H891 WeakPolarHBondContact CB-CE1 3.31Å; A889-H891 PolarHBondContact O-N 2.85Å; A889-H891 VanDerWaalsContact O-N 3.09Å; A889-Q892 WeakPolarHBondContact O-CB 3.42Å; A889-Q892 WeakPolarHBondContact O-CG 3.32Å; A889-Q892 PolarHBondContact O-N 2.75Å; A889-Q892 PolarHBondContact O-NE2 3.38Å
890	P	93.9	Very high	93.5	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.006	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-72.1	-14.4	-162.4	24	-34.2	0	0	0	114.3	V888 Q892 L893 L957 V958 T962	V888-P890 WeakPolarHBondContact O-CD 3.38Å; P890-Q892 PolarHBondContact O-N 3.05Å; P890-L893 HydrophobicContact CB-CD1 4.29Å; P890-L893 VanDerWaalsContact O-CB 3.29Å; P890-L893 WeakPolarHBondContact O-CB 3.32Å; P890-L893 WeakPolarHBondContact O-CG 3.41Å; P890-L893 PolarHBondContact O-N 2.63Å; P890-L957 HydrophobicContact CB-CB 3.98Å; P890-L957 HydrophobicContact CG-CB 4.39Å; P890-L957 HydrophobicContact CG-CD2 4.29Å; P890-V958 WeakPolarHBondContact O-CA 3.33Å; P890-T962 HydrophobicContact CG-CG2 4.11Å
891	H	90.5	Very high	93.6	Very high	20 Å²	20	15.7 Å²	15.7	9%	0.093	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-66.8	-18.4	174	69.9	-86.8	0	0	0	112.6	E732 A889 L893 K900 K1131 I1132	E732-H891 IonicContact OE2-CE1 3.96Å; E732-H891 PolarHBondContact OE2-CE1 3.13Å; E732-H891 IonicContact OE2-NE2 3.97Å; E732-H891 PolarHBondContact OE2-NE2 3.42Å; A889-H891 WeakPolarHBondContact CB-CE1 3.31Å; A889-H891 PolarHBondContact O-N 2.85Å; A889-H891 VanDerWaalsContact O-N 3.09Å; H891-L893 PolarHBondContact O-N 3.47Å; H891-K900 PolarHBondContact O-NZ 3.27Å; H891-K1131 WeakPolarHBondContact CE1-CE 3.37Å; H891-K1131 WeakPolarHBondContact NE2-CE 3.47Å; H891-I1132 HydrophobicContact CB-CG1 4.45Å
892	Q	93.1	Very high	93.9	Very high	21 Å²	21	14.9 Å²	14.9	10%	0.098	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-75.9	-3.1	171.6	-59.4	176.3	107.2	0	0	112.5	E732 A889 P890 K900	E732-Q892 PolarHBondContact O-NE2 3.07Å; A889-Q892 WeakPolarHBondContact O-CB 3.42Å; A889-Q892 WeakPolarHBondContact O-CG 3.32Å; A889-Q892 PolarHBondContact O-N 2.75Å; A889-Q892 PolarHBondContact O-NE2 3.38Å; P890-Q892 PolarHBondContact O-N 3.05Å; Q892-K900 VanDerWaalsContact O-CB 3.31Å; Q892-K900 WeakPolarHBondContact O-CB 3.38Å; Q892-K900 VanDerWaalsContact O-CG 3.27Å; Q892-K900 WeakPolarHBondContact O-CG 3.42Å; Q892-K900 PolarHBondContact O-N 3.19Å
893	L	96.2	Very high	94.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-97.6	146.9	179.4	-51.6	176.2	0	0	0	111.1	P890 H891 L897 E898 T899 K900 T907 N912 V958	P890-L893 HydrophobicContact CB-CD1 4.29Å; P890-L893 VanDerWaalsContact O-CB 3.29Å; P890-L893 WeakPolarHBondContact O-CB 3.32Å; P890-L893 WeakPolarHBondContact O-CG 3.41Å; P890-L893 PolarHBondContact O-N 2.63Å; H891-L893 PolarHBondContact O-N 3.47Å; L893-L897 HydrophobicContact CD1-CD2 4.31Å; L893-E898 CarbonylContact C-O 3.6Å; L893-E898 WeakPolarHBondContact CA-O 3.46Å; L893-T899 HydrophobicContact CD2-CG2 3.81Å; L893-K900 WeakPolarHBondContact O-CE 3.46Å; L893-K900 PolarHBondContact O-NZ 3.3Å; L893-T907 WeakPolarHBondContact CD1-OG1 3.13Å; L893-T907 VanDerWaalsContact CD2-OG1 3.31Å; L893-T907 WeakPolarHBondContact CD2-OG1 3.49Å; L893-N912 HydrophobicContact CD1-CB 4.36Å; L893-N912 VanDerWaalsContact CD1-CG 3.49Å; L893-N912 WeakPolarHBondContact CD1-ND2 3.38Å; L893-N912 WeakPolarHBondContact CD1-OD1 3.2Å; L893-V958 HydrophobicContact CB-CG1 3.92Å
894	R	95.5	Very high	94.7	Very high	73 Å²	73	20.2 Å²	20.2	28%	0.275	10%	0.098	S	C	.	.			trans	-75.9	163.3	164.2	-67.1	-177.9	174	-101.6	12.8	109.6	T896 L897 E898 K900 E1111 E1135	R894-T896 WeakPolarHBondContact CB-OG1 3.42Å; R894-T896 PolarHBondContact O-N 3.04Å; R894-L897 WeakPolarHBondContact O-CA 3.35Å; R894-L897 PolarHBondContact O-N 2.87Å; R894-E898 PolarHBondContact N-O 3.38Å; R894-K900 HydrophobicContact CG-CG 3.81Å; R894-E1111 IonicContact CZ-OE1 3.23Å; R894-E1111 IonicContact NH1-OE1 3.46Å; R894-E1111 PolarHBondContact NH1-OE1 2.9Å; R894-E1111 IonicContact NH2-OE1 3.46Å; R894-E1111 PolarHBondContact NH2-OE1 3.32Å; R894-E1135 IonicContact CZ-OE1 3.37Å; R894-E1135 IonicContact NH1-OE1 2.83Å; R894-E1135 PolarHBondContact NH1-OE1 2.79Å
895	P	95	Very high	95.1	Very high	21 Å²	21	20.2 Å²	20.2	14%	0.136	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-16.1	172.1	-25.1	35.9	0	0	0	114.5	L897 I942 V958	P895-L897 PolarHBondContact O-N 3.38Å; P895-I942 HydrophobicContact CB-CD1 3.89Å; P895-I942 HydrophobicContact CB-CG1 4.38Å; P895-I942 HydrophobicContact CB-CG2 3.7Å; P895-V958 HydrophobicContact CG-CG2 4.44Å
896	T	97.1	Very high	95.5	Very high	11 Å²	11	20.3 Å²	20.3	7%	0.067	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-10.2	170.3	52.4	0	0	0	0	114.1	R894 E898 N930 P940 I942	R894-T896 WeakPolarHBondContact CB-OG1 3.42Å; R894-T896 PolarHBondContact O-N 3.04Å; T896-E898 PolarHBondContact O-N 3.45Å; T896-E898 WeakPolarHBondContact OG1-CB 3.49Å; T896-E898 PolarHBondContact OG1-N 3.16Å; T896-N930 HydrophobicContact CG2-CB 4.19Å; T896-P940 HydrophobicContact CG2-CB 3.54Å; T896-P940 HydrophobicContact CG2-CG 4.36Å; T896-I942 HydrophobicContact CG2-CD1 3.44Å; T896-I942 VanDerWaalsContact CG2-CD1 3.44Å
897	L	98.4	Very high	95.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	69.2	9.5	-165.6	-54.9	173.6	0	0	0	115.1	L893 R894 P895 Y906 T907 Q923 M926 A927 I954	L893-L897 HydrophobicContact CD1-CD2 4.31Å; R894-L897 WeakPolarHBondContact O-CA 3.35Å; R894-L897 PolarHBondContact O-N 2.87Å; P895-L897 PolarHBondContact O-N 3.38Å; L897-Y906 VanDerWaalsContact O-CA 3.32Å; L897-Y906 WeakPolarHBondContact O-CA 3.35Å; L897-T907 PolarHBondContact O-N 2.81Å; L897-Q923 HydrophobicContact CD1-CB 3.72Å; L897-Q923 HydrophobicContact CD1-CG 4.04Å; L897-Q923 WeakPolarHBondContact CD1-O 3.34Å; L897-M926 HydrophobicContact CD1-CB 4.15Å; L897-A927 HydrophobicContact CB-CB 4.18Å; L897-A927 HydrophobicContact CD1-CB 4.11Å; L897-I954 HydrophobicContact CD1-CD1 4.05Å; L897-I954 HydrophobicContact CD2-CD1 4.45Å; L897-I954 HydrophobicContact CD2-CG1 4.25Å; L897-I954 HydrophobicContact CD2-CG2 4.03Å; L897-I954 HydrophobicContact CG-CD1 4.29Å
898	E	98.2	Very high	95.9	Very high	17 Å²	17	20.1 Å²	20.1	8%	0.079	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-72.1	140.2	167.6	-165.5	172.6	-157.9	0	0	109.9	L893 R894 T896 N904 L905 Y906 K934	L893-E898 CarbonylContact C-O 3.6Å; L893-E898 WeakPolarHBondContact CA-O 3.46Å; R894-E898 PolarHBondContact N-O 3.38Å; T896-E898 PolarHBondContact O-N 3.45Å; T896-E898 WeakPolarHBondContact OG1-CB 3.49Å; T896-E898 PolarHBondContact OG1-N 3.16Å; E898-N904 WeakPolarHBondContact OE1-CA 3.41Å; E898-N904 PolarHBondContact OE1-N 3.14Å; E898-L905 CarbonylContact C-O 3.44Å; E898-L905 WeakPolarHBondContact CA-O 3.32Å; E898-L905 WeakPolarHBondContact CG-O 3.41Å; E898-Y906 HydrophobicContact CB-CD1 3.88Å; E898-Y906 HydrophobicContact CB-CE1 3.51Å; E898-Y906 HydrophobicContact CB-CE2 4.16Å; E898-Y906 HydrophobicContact CB-CG 4.35Å; E898-Y906 HydrophobicContact CG-CD2 4.3Å; E898-Y906 HydrophobicContact CG-CE1 4.13Å; E898-Y906 HydrophobicContact CG-CE2 3.84Å; E898-Y906 VanDerWaalsContact N-CD1 3.33Å; E898-K934 IonicContact OE1-NZ 3.63Å; E898-K934 PolarHBondContact OE1-NZ 3.03Å; E898-K934 IonicContact OE2-NZ 2.75Å
899	T	97.2	Very high	96	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.018	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-69.5	142.9	173.3	83.6	0	0	0	0	110.4	L731 L893 V901 I902 L905 T907	L731-T899 HydrophobicContact CD2-CG2 4.33Å; L893-T899 HydrophobicContact CD2-CG2 3.81Å; T899-V901 VanDerWaalsContact C-N 3.31Å; T899-I902 WeakPolarHBondContact OG1-CA 3.37Å; T899-I902 PolarHBondContact OG1-N 3.27Å; T899-I902 PolarHBondContact OG1-O 3.14Å; T899-L905 HydrophobicContact CG2-CB 4.2Å; T899-L905 HydrophobicContact CG2-CD2 4.1Å; T899-L905 HydrophobicContact CG2-CG 3.95Å; T899-L905 WeakPolarHBondContact CG2-O 3.48Å; T899-L905 PolarHBondContact N-O 3.28Å; T899-T907 HydrophobicContact CG2-CG2 4.28Å
900	K	93.2	Very high	96	Very high	65 Å²	65	21.4 Å²	21.4	28%	0.283	11%	0.105	S	C	.	.	S	Bend	trans	-76.5	-24.3	173.6	-67.4	168.4	-175.1	158.6	0	112.1	H891 Q892 L893 R894 I1132	H891-K900 PolarHBondContact O-NZ 3.27Å; Q892-K900 VanDerWaalsContact O-CB 3.31Å; Q892-K900 WeakPolarHBondContact O-CB 3.38Å; Q892-K900 VanDerWaalsContact O-CG 3.27Å; Q892-K900 WeakPolarHBondContact O-CG 3.42Å; Q892-K900 PolarHBondContact O-N 3.19Å; L893-K900 WeakPolarHBondContact O-CE 3.46Å; L893-K900 PolarHBondContact O-NZ 3.3Å; R894-K900 HydrophobicContact CG-CG 3.81Å; K900-I1132 PolarHBondContact NZ-O 3.48Å
901	V	93.4	Very high	96	Very high	63 Å²	63	21.4 Å²	21.4	38%	0.382	10%	0.104	S	C	.	.	S	Bend	trans	-79.6	-43.5	-175.8	-175.8	0	0	0	0	111	L731 T899	L731-V901 HydrophobicContact CD2-CB 4.03Å; L731-V901 HydrophobicContact CD2-CG2 4Å; T899-V901 VanDerWaalsContact C-N 3.31Å
902	I	96.6	Very high	96.3	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.021	10%	0.1	C	C	.	.	S	Bend	trans	-126.1	120.3	-176.1	-51.2	177.8	0	0	0	109.3	V669 G672 C674 L729 L731 T899 L905	V669-I902 HydrophobicContact CG1-CG2 4.07Å; V669-I902 HydrophobicContact CG2-CD1 4.48Å; V669-I902 HydrophobicContact CG2-CG2 4.27Å; G672-I902 WeakPolarHBondContact O-CG2 3.37Å; C674-I902 HydrophobicContact CB-CG2 3.9Å; L729-I902 HydrophobicContact CB-CD1 3.64Å; L729-I902 HydrophobicContact CD1-CD1 3.79Å; L729-I902 HydrophobicContact CD2-CD1 4.44Å; L729-I902 HydrophobicContact CG-CD1 4.18Å; L731-I902 HydrophobicContact CD1-CD1 4.49Å; T899-I902 WeakPolarHBondContact OG1-CA 3.37Å; T899-I902 PolarHBondContact OG1-N 3.27Å; T899-I902 PolarHBondContact OG1-O 3.14Å; I902-L905 HydrophobicContact CB-CB 4.05Å; I902-L905 HydrophobicContact CB-CD2 4.16Å; I902-L905 HydrophobicContact CD1-CD2 3.88Å; I902-L905 HydrophobicContact CG2-CB 4.04Å; I902-L905 HydrophobicContact CG2-CD2 4.46Å; I902-L905 PolarHBondContact O-N 2.76Å
903	E	96.8	Very high	96.3	Very high	94 Å²	94	19.5 Å²	19.5	44%	0.439	10%	0.095	S	C	.	.	B	Isolated β-bridge	trans	-67.7	143.7	177.8	-170.3	176.3	169.4	0	0	110.7	G672 I673 C674 L905 K934	G672-E903 PolarHBondContact O-N 3.46Å; I673-E903 HydrophobicContact CG1-CB 4.15Å; C674-E903 PolarHBondContact N-O 3.31Å; E903-L905 PolarHBondContact O-N 3.03Å; E903-K934 WeakPolarHBondContact OE1-CE 3.23Å; E903-K934 IonicContact OE1-NZ 3.23Å; E903-K934 PolarHBondContact OE1-NZ 3.5Å
904	N	98.3	Very high	96.2	Very high	27 Å²	27	19.5 Å²	19.5	14%	0.144	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	7	-178.9	-61.1	-29.1	0	0	0	115.2	I673 K688 A689 V690 E898 K934	I673-N904 HydrophobicContact CG2-CB 4.43Å; I673-N904 WeakPolarHBondContact CG2-ND2 3.48Å; K688-N904 WeakPolarHBondContact O-CB 3.36Å; K688-N904 VanDerWaalsContact O-CG 3.28Å; K688-N904 PolarHBondContact O-ND2 3.2Å; A689-N904 WeakPolarHBondContact CA-O 3.27Å; A689-N904 HydrophobicContact CB-CB 4.42Å; V690-N904 PolarHBondContact N-O 3.25Å; E898-N904 WeakPolarHBondContact OE1-CA 3.41Å; E898-N904 PolarHBondContact OE1-N 3.14Å; N904-K934 WeakPolarHBondContact OD1-CD 2.99Å; N904-K934 VanDerWaalsContact OD1-CE 3.29Å; N904-K934 WeakPolarHBondContact OD1-CE 3.35Å; N904-K934 PolarHBondContact OD1-NZ 3.45Å
905	L	98.6	Very high	95.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.2	168.8	-175.2	61.5	0	0	0	109.9	L667 C674 V690 I692 L726 L731 E898 T899 I902 E903	L667-L905 HydrophobicContact CD1-CD1 3.78Å; L667-L905 HydrophobicContact CD1-CD2 3.68Å; L667-L905 HydrophobicContact CD1-CG 4.39Å; C674-L905 HydrophobicContact CB-CB 4Å; V690-L905 HydrophobicContact CB-CD1 4.18Å; V690-L905 HydrophobicContact CG1-CD1 4.15Å; I692-L905 HydrophobicContact CD1-CD1 3.9Å; I692-L905 HydrophobicContact CG1-CD1 4.06Å; L726-L905 HydrophobicContact CD2-CD2 4.32Å; L731-L905 HydrophobicContact CD1-CD2 4.18Å; E898-L905 CarbonylContact C-O 3.44Å; E898-L905 WeakPolarHBondContact CA-O 3.32Å; E898-L905 WeakPolarHBondContact CG-O 3.41Å; T899-L905 HydrophobicContact CG2-CB 4.2Å; T899-L905 HydrophobicContact CG2-CD2 4.1Å; T899-L905 HydrophobicContact CG2-CG 3.95Å; T899-L905 WeakPolarHBondContact CG2-O 3.48Å; T899-L905 PolarHBondContact N-O 3.28Å; I902-L905 HydrophobicContact CB-CB 4.05Å; I902-L905 HydrophobicContact CB-CD2 4.16Å; I902-L905 HydrophobicContact CD1-CD2 3.88Å; I902-L905 HydrophobicContact CG2-CB 4.04Å; I902-L905 HydrophobicContact CG2-CD2 4.46Å; I902-L905 PolarHBondContact O-N 2.76Å; E903-L905 PolarHBondContact O-N 3.03Å
906	Y	98.7	Very high	95.6	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.008	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	153.3	176.7	-64.9	-110.5	0	0	0	109.3	A689 V690 I691 I692 L897 E898 A927 N930 A931	A689-Y906 HydrophobicContact CB-CE2 4.34Å; V690-Y906 PolarHBondContact O-N 2.97Å; I691-Y906 CarbonylContact C-O 3.5Å; I691-Y906 WeakPolarHBondContact CA-O 3.43Å; I691-Y906 HydrophobicContact CG1-CG 4.48Å; I692-Y906 PolarHBondContact N-O 2.8Å; L897-Y906 VanDerWaalsContact O-CA 3.32Å; L897-Y906 WeakPolarHBondContact O-CA 3.35Å; E898-Y906 HydrophobicContact CB-CD1 3.88Å; E898-Y906 HydrophobicContact CB-CE1 3.51Å; E898-Y906 HydrophobicContact CB-CE2 4.16Å; E898-Y906 HydrophobicContact CB-CG 4.35Å; E898-Y906 HydrophobicContact CG-CD2 4.3Å; E898-Y906 HydrophobicContact CG-CE1 4.13Å; E898-Y906 HydrophobicContact CG-CE2 3.84Å; E898-Y906 VanDerWaalsContact N-CD1 3.33Å; Y906-A927 HydrophobicContact CD1-CB 4.27Å; Y906-N930 HydrophobicContact CE1-CB 4.06Å; Y906-A931 HydrophobicContact CD2-CB 4.24Å; Y906-A931 HydrophobicContact CE1-CB 4.47Å; Y906-A931 HydrophobicContact CE2-CB 3.99Å
907	T	98	Very high	95.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	146.1	174.3	58.6	0	0	0	0	110.1	I692 V888 L893 L897 T899 T911 N912	I692-T907 HydrophobicContact CB-CG2 4.26Å; I692-T907 WeakPolarHBondContact O-CA 3.31Å; V888-T907 HydrophobicContact CG2-CG2 4.27Å; L893-T907 WeakPolarHBondContact CD1-OG1 3.13Å; L893-T907 VanDerWaalsContact CD2-OG1 3.31Å; L893-T907 WeakPolarHBondContact CD2-OG1 3.49Å; L897-T907 PolarHBondContact O-N 2.81Å; T899-T907 HydrophobicContact CG2-CG2 4.28Å; T907-T911 HydrophobicContact CG2-CG2 4.13Å; T907-N912 WeakPolarHBondContact CB-OD1 3.33Å; T907-N912 PolarHBondContact O-ND2 3.2Å; T907-N912 PolarHBondContact O-OD1 3.41Å; T907-N912 PolarHBondContact OG1-OD1 3.23Å
908	A	97.8	Very high	95.4	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.008	9%	0.092	C	C	.	.			trans	-148.8	156.3	-179	0	0	0	0	0	112.5	I692 T693 N912 Q923 A927	I692-A908 PolarHBondContact O-N 2.95Å; T693-A908 HydrophobicContact CG2-CB 3.84Å; A908-N912 WeakPolarHBondContact CA-ND2 3.48Å; A908-Q923 HydrophobicContact CB-CB 3.78Å; A908-A927 HydrophobicContact CB-CB 4.32Å
909	G	95.3	Very high	95.3	Very high	2 Å²	2	17 Å²	17	2%	0.021	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	77.3	-139.1	177.4	0	0	0	0	0	114.3	T911 N912 T914	G909-T911 PolarHBondContact O-N 3.45Å; G909-N912 PolarHBondContact O-N 3.27Å; G909-T914 PolarHBondContact O-N 3.41Å; G909-T914 PolarHBondContact O-OG1 3.42Å
910	Q	94.2	Very high	95.2	Very high	25 Å²	25	17.9 Å²	17.9	12%	0.117	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-64	-26.4	-177.3	-69.1	74.9	6.3	0	0	111.3	G695 T696 Y885 N912 G913 T914	G695-Q910 WeakPolarHBondContact O-CB 3.29Å; T696-Q910 HydrophobicContact CG2-CB 4.28Å; T696-Q910 HydrophobicContact CG2-CG 4.02Å; Y885-Q910 HydrophobicContact CE2-CB 3.98Å; Q910-N912 PolarHBondContact O-N 3.25Å; Q910-N912 VanDerWaalsContact O-N 3.13Å; Q910-G913 WeakPolarHBondContact O-CA 3.17Å; Q910-G913 PolarHBondContact O-N 2.98Å; Q910-T914 WeakPolarHBondContact CG-O 3.1Å
911	T	94.2	Very high	95.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-58.3	-23.2	170.7	-49.2	0	0	0	0	112.7	I692 A694 M887 V888 T907 G909	I692-T911 HydrophobicContact CG2-CG2 4.11Å; A694-T911 PolarHBondContact N-OG1 3.28Å; M887-T911 CarbonylContact C-O 3.56Å; M887-T911 WeakPolarHBondContact CA-O 3.18Å; M887-T911 WeakPolarHBondContact CB-O 3.27Å; V888-T911 HydrophobicContact CG2-CG2 4.11Å; V888-T911 PolarHBondContact N-O 3.36Å; T907-T911 HydrophobicContact CG2-CG2 4.13Å; G909-T911 PolarHBondContact O-N 3.45Å
912	N	96	Very high	95.7	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-98.3	9.9	173.2	-64.8	-6.1	0	0	0	112.8	L893 T907 A908 G909 Q910 Q923	L893-N912 HydrophobicContact CD1-CB 4.36Å; L893-N912 VanDerWaalsContact CD1-CG 3.49Å; L893-N912 WeakPolarHBondContact CD1-ND2 3.38Å; L893-N912 WeakPolarHBondContact CD1-OD1 3.2Å; T907-N912 WeakPolarHBondContact CB-OD1 3.33Å; T907-N912 PolarHBondContact O-ND2 3.2Å; T907-N912 PolarHBondContact O-OD1 3.41Å; T907-N912 PolarHBondContact OG1-OD1 3.23Å; A908-N912 WeakPolarHBondContact CA-ND2 3.48Å; G909-N912 PolarHBondContact O-N 3.27Å; Q910-N912 PolarHBondContact O-N 3.25Å; Q910-N912 VanDerWaalsContact O-N 3.13Å; N912-Q923 VanDerWaalsContact CB-OE1 3.23Å; N912-Q923 PolarHBondContact ND2-OE1 3.04Å
913	G	92.9	Very high	95.8	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	16.5	179.7	0	0	0	0	0	115.2	Q910 P965 Y966	Q910-G913 WeakPolarHBondContact O-CA 3.17Å; Q910-G913 PolarHBondContact O-N 2.98Å; G913-P965 CarbonylContact O-C 3.58Å; G913-P965 WeakPolarHBondContact O-CA 3.22Å; G913-Y966 WeakPolarHBondContact O-CB 3.18Å; G913-Y966 PolarHBondContact O-N 2.97Å
914	T	94.1	Very high	95.9	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-81.3	173.9	170.3	61.3	0	0	0	0	112.3	Y885 G909 Q910 E919 Q923 M953 L957 Y966	Y885-T914 PolarHBondContact OH-O 3Å; G909-T914 PolarHBondContact O-N 3.41Å; G909-T914 PolarHBondContact O-OG1 3.42Å; Q910-T914 WeakPolarHBondContact CG-O 3.1Å; T914-E919 HydrophobicContact CG2-CB 4.12Å; T914-Q923 PolarHBondContact OG1-NE2 3.42Å; T914-Q923 VanDerWaalsContact OG1-NE2 3.12Å; T914-M953 HydrophobicContact CG2-SD 4.19Å; T914-L957 HydrophobicContact CG2-CD1 3.66Å; T914-L957 HydrophobicContact CG2-CD2 4.26Å; T914-Y966 HydrophobicContact CG2-CD1 4.03Å; T914-Y966 HydrophobicContact CG2-CG 4.49Å
915	S	87.2	Confident	95.9	Very high	32 Å²	32	9.7 Å²	9.7	22%	0.224	7%	0.065	C	C	.	.			trans	-124.7	-28.4	-174.7	59.5	0	0	0	0	114.5	E919 Y966	S915-E919 PolarHBondContact N-OE2 3.24Å; S915-E919 VanDerWaalsContact N-OE2 3.11Å; S915-E919 PolarHBondContact OG-OE2 2.76Å; S915-Y966 PolarHBondContact N-O 2.82Å; S915-Y966 PolarHBondContact OG-O 2.77Å; S915-Y966 VanDerWaalsContact OG-O 3.1Å
916	G	90.8	Very high	95.9	Very high	4 Å²	4	9.8 Å²	9.8	4%	0.041	7%	0.065	C	C	.	.	S	Bend	trans	-99	155.6	-174.1	0	0	0	0	0	115.1	E918 E919 A920	G916-E918 VanDerWaalsContact C-N 3.3Å; G916-E918 PolarHBondContact O-N 2.96Å; G916-E919 PolarHBondContact N-OE2 3.03Å; G916-E919 PolarHBondContact O-N 2.87Å; G916-A920 PolarHBondContact O-N 3.43Å
917	Y	94.7	Very high	95.9	Very high	34 Å²	34	9.7 Å²	9.7	13%	0.133	7%	0.065	C	C	.	.	H	α-helix	trans	-59.7	-40.8	174.7	-49.6	-47.8	0	0	0	112.1	M584 P585 C586 I590 E919 A920 A921	M584-Y917 HydrophobicContact CB-CE2 4.37Å; M584-Y917 HydrophobicContact CE-CD2 3.84Å; M584-Y917 HydrophobicContact CE-CE2 3.68Å; M584-Y917 HydrophobicContact CG-CE2 4.44Å; P585-Y917 HydrophobicContact CG-CE1 4.48Å; C586-Y917 WeakPolarHBondContact CA-OH 3.18Å; C586-Y917 WeakPolarHBondContact CB-OH 3.29Å; C586-Y917 PolarHBondContact N-OH 2.89Å; I590-Y917 HydrophobicContact CD1-CD2 3.95Å; I590-Y917 HydrophobicContact CD1-CG 4.35Å; Y917-E919 VanDerWaalsContact C-N 3.34Å; Y917-E919 PolarHBondContact O-N 3.13Å; Y917-A920 PolarHBondContact O-N 3.48Å; Y917-A921 WeakPolarHBondContact O-CB 3.43Å; Y917-A921 PolarHBondContact O-N 3.27Å
918	E	97.1	Very high	95.9	Very high	1 Å²	1	11 Å²	11	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-68.8	-37.4	-177.5	-48.4	85.3	165.6	0	0	111.3	I590 G591 K595 V598 V599 M609 G916 G922	I590-E918 HydrophobicContact CG2-CG 4.49Å; G591-E918 PolarHBondContact N-OE1 2.82Å; K595-E918 HydrophobicContact CB-CB 4.21Å; K595-E918 HydrophobicContact CB-CG 3.92Å; K595-E918 WeakPolarHBondContact CD-OE2 3.48Å; K595-E918 WeakPolarHBondContact CE-OE2 3.34Å; K595-E918 HydrophobicContact CG-CB 4.38Å; K595-E918 HydrophobicContact CG-CG 4.36Å; K595-E918 IonicContact NZ-OE1 2.89Å; K595-E918 IonicContact NZ-OE2 3.83Å; K595-E918 PolarHBondContact NZ-OE2 3.46Å; V598-E918 HydrophobicContact CB-CB 4.38Å; V598-E918 HydrophobicContact CG1-CB 4.23Å; V598-E918 VanDerWaalsContact CG1-O 3.25Å; V598-E918 WeakPolarHBondContact CG1-O 3.38Å; V599-E918 HydrophobicContact CG2-CB 4.14Å; V599-E918 HydrophobicContact CG2-CG 3.55Å; M609-E918 HydrophobicContact SD-CB 4.4Å; M609-E918 HydrophobicContact SD-CG 4.27Å; G916-E918 VanDerWaalsContact C-N 3.3Å; G916-E918 PolarHBondContact O-N 2.96Å; E918-G922 PolarHBondContact O-N 3Å
919	E	96.4	Very high	95.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.8	-40.1	175	-61.8	174.2	137.2	0	0	111	T914 S915 G916 Y917 Q923 M953 R967 L968	T914-E919 HydrophobicContact CG2-CB 4.12Å; S915-E919 PolarHBondContact N-OE2 3.24Å; S915-E919 VanDerWaalsContact N-OE2 3.11Å; S915-E919 PolarHBondContact OG-OE2 2.76Å; G916-E919 PolarHBondContact N-OE2 3.03Å; G916-E919 PolarHBondContact O-N 2.87Å; Y917-E919 VanDerWaalsContact C-N 3.34Å; Y917-E919 PolarHBondContact O-N 3.13Å; E919-Q923 WeakPolarHBondContact O-CG 3.46Å; E919-Q923 PolarHBondContact O-N 3.48Å; E919-Q923 VanDerWaalsContact O-N 3.11Å; E919-Q923 PolarHBondContact O-NE2 2.93Å; E919-Q923 VanDerWaalsContact O-NE2 3.09Å; E919-M953 HydrophobicContact CB-CE 4.41Å; E919-M953 HydrophobicContact CB-SD 3.49Å; E919-M953 WeakPolarHBondContact CB-SD 3.17Å; E919-M953 HydrophobicContact CG-SD 3.7Å; E919-M953 WeakPolarHBondContact O-CE 3.48Å; E919-R967 WeakPolarHBondContact OE1-CA 3.46Å; E919-L968 HydrophobicContact CG-CB 4.29Å; E919-L968 VanDerWaalsContact OE1-CB 3.23Å; E919-L968 WeakPolarHBondContact OE1-CB 3.41Å; E919-L968 PolarHBondContact OE1-N 3.18Å
920	A	96.2	Very high	96	Very high	21 Å²	21	11.5 Å²	11.5	17%	0.174	8%	0.08	C	C	.	.	H	α-helix	trans	-67.1	-46.5	175.8	0	0	0	0	0	112.5	G916 Y917 G922 Q923 G924	G916-A920 PolarHBondContact O-N 3.43Å; Y917-A920 PolarHBondContact O-N 3.48Å; A920-G922 PolarHBondContact O-N 2.83Å; A920-Q923 PolarHBondContact O-N 3.12Å; A920-G924 PolarHBondContact O-N 3.11Å
921	A	97.7	Very high	96.3	Very high	30 Å²	30	10.6 Å²	10.6	25%	0.248	8%	0.077	C	C	.	.	H	α-helix	trans	-64.9	-40.2	177.2	0	0	0	0	0	112.2	I602 M609 Y917 Q923 G924 L925	I602-A921 HydrophobicContact CD1-CB 3.64Å; M609-A921 HydrophobicContact CE-CB 3.38Å; M609-A921 HydrophobicContact SD-CB 3.78Å; Y917-A921 WeakPolarHBondContact O-CB 3.43Å; Y917-A921 PolarHBondContact O-N 3.27Å; A921-Q923 PolarHBondContact O-N 2.68Å; A921-G924 PolarHBondContact O-N 3.16Å; A921-L925 WeakPolarHBondContact O-CB 3.31Å; A921-L925 PolarHBondContact O-N 3.16Å
922	G	98.2	Very high	96.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.8	-42	176.2	0	0	0	0	0	112.5	E918 A920 M926	E918-G922 PolarHBondContact O-N 3Å; A920-G922 PolarHBondContact O-N 2.83Å; G922-M926 VanDerWaalsContact O-CG 3.27Å; G922-M926 WeakPolarHBondContact O-CG 3.48Å; G922-M926 PolarHBondContact O-N 2.91Å
923	Q	98.6	Very high	96.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-69.5	-44.6	173.8	-74.6	174.7	88.2	0	0	112.4	L897 A908 N912 T914 E919 A920 A921 L925 M926 A927 M953 I954	L897-Q923 HydrophobicContact CD1-CB 3.72Å; L897-Q923 HydrophobicContact CD1-CG 4.04Å; L897-Q923 WeakPolarHBondContact CD1-O 3.34Å; A908-Q923 HydrophobicContact CB-CB 3.78Å; N912-Q923 VanDerWaalsContact CB-OE1 3.23Å; N912-Q923 PolarHBondContact ND2-OE1 3.04Å; T914-Q923 PolarHBondContact OG1-NE2 3.42Å; T914-Q923 VanDerWaalsContact OG1-NE2 3.12Å; E919-Q923 WeakPolarHBondContact O-CG 3.46Å; E919-Q923 PolarHBondContact O-N 3.48Å; E919-Q923 VanDerWaalsContact O-N 3.11Å; E919-Q923 PolarHBondContact O-NE2 2.93Å; E919-Q923 VanDerWaalsContact O-NE2 3.09Å; A920-Q923 PolarHBondContact O-N 3.12Å; A921-Q923 PolarHBondContact O-N 2.68Å; Q923-L925 VanDerWaalsContact C-N 3.29Å; Q923-L925 PolarHBondContact O-N 3.15Å; Q923-M926 PolarHBondContact O-N 3.23Å; Q923-M926 VanDerWaalsContact O-N 3.09Å; Q923-A927 WeakPolarHBondContact O-CB 3.43Å; Q923-A927 PolarHBondContact O-N 3.16Å; Q923-M953 HydrophobicContact CG-CE 3.79Å; Q923-I954 HydrophobicContact CG-CG1 4.33Å
924	G	98.1	Very high	96.8	Very high	22 Å²	22	16.3 Å²	16.3	23%	0.227	11%	0.111	C	C	.	.	H	α-helix	trans	-58.2	-42.6	179.5	0	0	0	0	0	111.8	A920 A921 M926 A927 G928	A920-G924 PolarHBondContact O-N 3.11Å; A921-G924 PolarHBondContact O-N 3.16Å; G924-M926 PolarHBondContact O-N 3.3Å; G924-A927 PolarHBondContact O-N 2.73Å; G924-G928 PolarHBondContact O-N 3.11Å
925	L	98.4	Very high	96.9	Very high	29 Å²	29	20.1 Å²	20.1	15%	0.152	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-45.3	174.3	-177.5	63.1	0	0	0	111.7	I602 L605 A921 Q923 G928 I929 L997	I602-L925 HydrophobicContact CB-CD2 4.44Å; I602-L925 HydrophobicContact CG1-CD2 4.39Å; I602-L925 HydrophobicContact CG2-CD2 4.27Å; L605-L925 HydrophobicContact CB-CD2 3.88Å; L605-L925 HydrophobicContact CD1-CD2 4Å; A921-L925 WeakPolarHBondContact O-CB 3.31Å; A921-L925 PolarHBondContact O-N 3.16Å; Q923-L925 VanDerWaalsContact C-N 3.29Å; Q923-L925 PolarHBondContact O-N 3.15Å; L925-G928 PolarHBondContact O-N 3.41Å; L925-I929 HydrophobicContact CD1-CD1 3.95Å; L925-I929 HydrophobicContact CD1-CG1 4.47Å; L925-I929 HydrophobicContact CG-CD1 3.88Å; L925-I929 WeakPolarHBondContact O-CB 3.28Å; L925-I929 WeakPolarHBondContact O-CD1 3.48Å; L925-I929 VanDerWaalsContact O-CG1 3.31Å; L925-I929 WeakPolarHBondContact O-CG1 3.32Å; L925-I929 PolarHBondContact O-N 2.99Å; L925-L997 HydrophobicContact CD1-CD1 4.01Å
926	M	98.6	Very high	97.4	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-68.7	-40.4	179.5	-64.2	-71.9	77.3	0	0	113.2	L605 L897 G922 Q923 G924 I929 N930 F941 M943 I950 I954	L605-M926 HydrophobicContact CD1-CE 4.13Å; L897-M926 HydrophobicContact CD1-CB 4.15Å; G922-M926 VanDerWaalsContact O-CG 3.27Å; G922-M926 WeakPolarHBondContact O-CG 3.48Å; G922-M926 PolarHBondContact O-N 2.91Å; Q923-M926 PolarHBondContact O-N 3.23Å; Q923-M926 VanDerWaalsContact O-N 3.09Å; G924-M926 PolarHBondContact O-N 3.3Å; M926-I929 HydrophobicContact CE-CB 4.47Å; M926-I929 HydrophobicContact CE-CD1 3.32Å; M926-I929 HydrophobicContact CE-CG1 4.44Å; M926-N930 WeakPolarHBondContact O-CB 3.17Å; M926-N930 PolarHBondContact O-N 3.01Å; M926-N930 PolarHBondContact O-ND2 2.82Å; M926-F941 HydrophobicContact CE-CD1 3.78Å; M926-F941 HydrophobicContact CE-CE1 3.65Å; M926-F941 HydrophobicContact SD-CD1 4.01Å; M926-F941 HydrophobicContact SD-CE1 3.74Å; M926-M943 HydrophobicContact SD-CB 3.96Å; M926-M943 HydrophobicContact SD-SD 4.31Å; M926-I950 HydrophobicContact CG-CG2 3.55Å; M926-I950 HydrophobicContact SD-CG2 4.11Å; M926-I954 HydrophobicContact CB-CD1 3.77Å; M926-I954 HydrophobicContact CG-CD1 3.63Å
927	A	98.6	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-45.4	174.2	0	0	0	0	0	110.6	I691 L897 Y906 A908 Q923 G924 N930 A931	I691-A927 HydrophobicContact CD1-CB 4.22Å; I691-A927 HydrophobicContact CG2-CB 3.83Å; L897-A927 HydrophobicContact CB-CB 4.18Å; L897-A927 HydrophobicContact CD1-CB 4.11Å; Y906-A927 HydrophobicContact CD1-CB 4.27Å; A908-A927 HydrophobicContact CB-CB 4.32Å; Q923-A927 WeakPolarHBondContact O-CB 3.43Å; Q923-A927 PolarHBondContact O-N 3.16Å; G924-A927 PolarHBondContact O-N 2.73Å; A927-N930 PolarHBondContact O-N 3.09Å; A927-A931 VanDerWaalsContact O-CB 3.25Å; A927-A931 WeakPolarHBondContact O-CB 3.38Å; A927-A931 PolarHBondContact O-N 3.36Å
928	G	98	Very high	97.7	Very high	28 Å²	28	31 Å²	31	29%	0.289	20%	0.195	S	C	.	.	H	α-helix	trans	-60.7	-48.4	177.9	0	0	0	0	0	113	G924 L925 N930 A931 A932	G924-G928 PolarHBondContact O-N 3.11Å; L925-G928 PolarHBondContact O-N 3.41Å; G928-N930 PolarHBondContact O-N 2.96Å; G928-A931 PolarHBondContact O-N 3.11Å; G928-A932 WeakPolarHBondContact O-CB 3.42Å; G928-A932 PolarHBondContact O-N 3.31Å
929	I	98.4	Very high	97.6	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.051	23%	0.231	C	C	.	.	H	α-helix	trans	-58	-49	176	-75.2	162.4	0	0	0	110.7	L925 M926 A932 L933 F941 I995 L997	L925-I929 HydrophobicContact CD1-CD1 3.95Å; L925-I929 HydrophobicContact CD1-CG1 4.47Å; L925-I929 HydrophobicContact CG-CD1 3.88Å; L925-I929 WeakPolarHBondContact O-CB 3.28Å; L925-I929 WeakPolarHBondContact O-CD1 3.48Å; L925-I929 VanDerWaalsContact O-CG1 3.31Å; L925-I929 WeakPolarHBondContact O-CG1 3.32Å; L925-I929 PolarHBondContact O-N 2.99Å; M926-I929 HydrophobicContact CE-CB 4.47Å; M926-I929 HydrophobicContact CE-CD1 3.32Å; M926-I929 HydrophobicContact CE-CG1 4.44Å; I929-A932 PolarHBondContact O-N 3.03Å; I929-L933 HydrophobicContact CG2-CD1 3.65Å; I929-L933 HydrophobicContact CG2-CG 4.3Å; I929-L933 WeakPolarHBondContact O-CB 3.45Å; I929-L933 VanDerWaalsContact O-CG 3.24Å; I929-L933 WeakPolarHBondContact O-CG 3.47Å; I929-L933 PolarHBondContact O-N 3.16Å; I929-F941 HydrophobicContact CG2-CB 3.98Å; I929-F941 HydrophobicContact CG2-CD1 4.18Å; I929-F941 HydrophobicContact CG2-CG 4.5Å; I929-I995 HydrophobicContact CG1-CG2 4.32Å; I929-I995 HydrophobicContact CG2-CD1 4.18Å; I929-I995 HydrophobicContact CG2-CG2 4.06Å; I929-L997 HydrophobicContact CD1-CD1 3.55Å; I929-L997 HydrophobicContact CG1-CD1 3.65Å
930	N	98.7	Very high	97.5	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.011	25%	0.25	C	C	.	.	H	α-helix	trans	-70.3	-39	-176.3	-77.5	-56.6	0	0	0	112.9	T896 Y906 M926 A927 G928 A932 L933 K934 P940 F941	T896-N930 HydrophobicContact CG2-CB 4.19Å; Y906-N930 HydrophobicContact CE1-CB 4.06Å; M926-N930 WeakPolarHBondContact O-CB 3.17Å; M926-N930 PolarHBondContact O-N 3.01Å; M926-N930 PolarHBondContact O-ND2 2.82Å; A927-N930 PolarHBondContact O-N 3.09Å; G928-N930 PolarHBondContact O-N 2.96Å; N930-A932 VanDerWaalsContact C-N 3.33Å; N930-A932 PolarHBondContact O-N 3.46Å; N930-L933 PolarHBondContact O-N 3.46Å; N930-K934 WeakPolarHBondContact O-CB 3.32Å; N930-K934 PolarHBondContact O-N 3.32Å; N930-P940 WeakPolarHBondContact OD1-CA 3.47Å; N930-P940 WeakPolarHBondContact OD1-CB 3.27Å; N930-F941 PolarHBondContact ND2-O 2.95Å; N930-F941 PolarHBondContact OD1-N 2.91Å; N930-F941 PolarHBondContact OD1-O 3.32Å; N930-F941 VanDerWaalsContact OD1-O 3.14Å
931	A	98.5	Very high	97.6	Very high	6 Å²	6	42.1 Å²	42.1	5%	0.05	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-45.1	173	0	0	0	0	0	111.1	A689 I691 Y906 A927 G928 K934 I935	A689-A931 HydrophobicContact CB-CB 4.01Å; I691-A931 HydrophobicContact CD1-CB 4.03Å; I691-A931 HydrophobicContact CG1-CB 4.4Å; Y906-A931 HydrophobicContact CD2-CB 4.24Å; Y906-A931 HydrophobicContact CE1-CB 4.47Å; Y906-A931 HydrophobicContact CE2-CB 3.99Å; A927-A931 VanDerWaalsContact O-CB 3.25Å; A927-A931 WeakPolarHBondContact O-CB 3.38Å; A927-A931 PolarHBondContact O-N 3.36Å; G928-A931 PolarHBondContact O-N 3.11Å; A931-K934 PolarHBondContact O-N 3.27Å; A931-I935 WeakPolarHBondContact O-CD1 3.44Å; A931-I935 VanDerWaalsContact O-CG1 3.26Å; A931-I935 WeakPolarHBondContact O-CG1 3.46Å; A931-I935 PolarHBondContact O-N 2.87Å
932	A	97.6	Very high	97.4	Very high	42 Å²	42	43 Å²	43	35%	0.347	25%	0.248	S	C	.	.	H	α-helix	trans	-64.4	-45.4	176.8	0	0	0	0	0	112.4	G928 I929 N930 K934 I935 Q936	G928-A932 WeakPolarHBondContact O-CB 3.42Å; G928-A932 PolarHBondContact O-N 3.31Å; I929-A932 PolarHBondContact O-N 3.03Å; N930-A932 VanDerWaalsContact C-N 3.33Å; N930-A932 PolarHBondContact O-N 3.46Å; A932-K934 VanDerWaalsContact C-N 3.34Å; A932-K934 PolarHBondContact O-N 3.42Å; A932-I935 PolarHBondContact O-N 2.83Å; A932-Q936 WeakPolarHBondContact O-CB 3.32Å; A932-Q936 WeakPolarHBondContact O-CG 3.3Å; A932-Q936 PolarHBondContact O-N 3.04Å
933	L	98.1	Very high	97.2	Very high	17 Å²	17	43.6 Å²	43.6	9%	0.089	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-43.5	177	-72.5	170.5	0	0	0	111.4	I929 N930 Q936 G937 K938 F941	I929-L933 HydrophobicContact CG2-CD1 3.65Å; I929-L933 HydrophobicContact CG2-CG 4.3Å; I929-L933 WeakPolarHBondContact O-CB 3.45Å; I929-L933 VanDerWaalsContact O-CG 3.24Å; I929-L933 WeakPolarHBondContact O-CG 3.47Å; I929-L933 PolarHBondContact O-N 3.16Å; N930-L933 PolarHBondContact O-N 3.46Å; L933-Q936 CarbonylContact O-C 3.57Å; L933-Q936 PolarHBondContact O-N 2.94Å; L933-Q936 VanDerWaalsContact O-N 3.16Å; L933-G937 PolarHBondContact O-N 2.94Å; L933-G937 VanDerWaalsContact O-N 3.11Å; L933-K938 HydrophobicContact CB-CB 4.29Å; L933-K938 HydrophobicContact CD2-CB 3.8Å; L933-K938 HydrophobicContact CD2-CD 3.76Å; L933-K938 HydrophobicContact CD2-CG 4.45Å; L933-K938 PolarHBondContact O-N 3.09Å; L933-F941 HydrophobicContact CD1-CB 3.74Å
934	K	97.9	Very high	96.9	Very high	63 Å²	63	46.8 Å²	46.8	27%	0.274	27%	0.265	S	S	.	.	H	α-helix	trans	-60.8	-47.4	176.8	-169.7	178.3	-174.2	-166.3	0	111.7	E898 E903 N904 N930 A931 A932 Q936 G937	E898-K934 IonicContact OE1-NZ 3.63Å; E898-K934 PolarHBondContact OE1-NZ 3.03Å; E898-K934 IonicContact OE2-NZ 2.75Å; E903-K934 WeakPolarHBondContact OE1-CE 3.23Å; E903-K934 IonicContact OE1-NZ 3.23Å; E903-K934 PolarHBondContact OE1-NZ 3.5Å; N904-K934 WeakPolarHBondContact OD1-CD 2.99Å; N904-K934 VanDerWaalsContact OD1-CE 3.29Å; N904-K934 WeakPolarHBondContact OD1-CE 3.35Å; N904-K934 PolarHBondContact OD1-NZ 3.45Å; N930-K934 WeakPolarHBondContact O-CB 3.32Å; N930-K934 PolarHBondContact O-N 3.32Å; A931-K934 PolarHBondContact O-N 3.27Å; A932-K934 VanDerWaalsContact C-N 3.34Å; A932-K934 PolarHBondContact O-N 3.42Å; K934-Q936 PolarHBondContact O-N 2.97Å; K934-G937 PolarHBondContact O-N 2.83Å
935	I	97.7	Very high	96.6	Very high	80 Å²	80	46.3 Å²	46.3	41%	0.41	26%	0.256	S	S	.	.	H	α-helix	trans	-60.4	-33.9	176.3	-69.7	166	0	0	0	111.7	K688 A689 A931 A932 G937	K688-I935 HydrophobicContact CB-CD1 3.87Å; K688-I935 HydrophobicContact CB-CG1 3.81Å; K688-I935 HydrophobicContact CD-CG1 4.47Å; K688-I935 HydrophobicContact CD-CG2 3.82Å; A689-I935 HydrophobicContact CB-CD1 3.92Å; A689-I935 HydrophobicContact CB-CG1 4.45Å; A931-I935 WeakPolarHBondContact O-CD1 3.44Å; A931-I935 VanDerWaalsContact O-CG1 3.26Å; A931-I935 WeakPolarHBondContact O-CG1 3.46Å; A931-I935 PolarHBondContact O-N 2.87Å; A932-I935 PolarHBondContact O-N 2.83Å; I935-G937 VanDerWaalsContact C-N 3.26Å; I935-G937 PolarHBondContact O-N 3.44Å
936	Q	97	Very high	96.3	Very high	111 Å²	111	45.6 Å²	45.6	52%	0.519	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.5	176.9	-68.1	172.9	19.2	0	0	113.5	A932 L933 K934 K938	A932-Q936 WeakPolarHBondContact O-CB 3.32Å; A932-Q936 WeakPolarHBondContact O-CG 3.3Å; A932-Q936 PolarHBondContact O-N 3.04Å; L933-Q936 CarbonylContact O-C 3.57Å; L933-Q936 PolarHBondContact O-N 2.94Å; L933-Q936 VanDerWaalsContact O-N 3.16Å; K934-Q936 PolarHBondContact O-N 2.97Å; Q936-K938 VanDerWaalsContact C-N 3.26Å; Q936-K938 HydrophobicContact CB-CD 4.11Å; Q936-K938 HydrophobicContact CB-CG 4.08Å; Q936-K938 PolarHBondContact O-N 3.47Å; Q936-K938 VanDerWaalsContact OE1-CE 3.29Å
937	G	95.9	Very high	96.1	Very high	72 Å²	72	47.1 Å²	47.1	74%	0.742	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	27.4	-175.8	0	0	0	0	0	113.5	L933 K934 I935	L933-G937 PolarHBondContact O-N 2.94Å; L933-G937 VanDerWaalsContact O-N 3.11Å; K934-G937 PolarHBondContact O-N 2.83Å; I935-G937 VanDerWaalsContact C-N 3.26Å; I935-G937 PolarHBondContact O-N 3.44Å
938	K	96.5	Very high	95.9	Very high	115 Å²	115	47.1 Å²	47.1	50%	0.5	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-100.3	157.8	179.1	-67.4	177.8	-179.7	168.6	0	110.8	L933 Q936	L933-K938 HydrophobicContact CB-CB 4.29Å; L933-K938 HydrophobicContact CD2-CB 3.8Å; L933-K938 HydrophobicContact CD2-CD 3.76Å; L933-K938 HydrophobicContact CD2-CG 4.45Å; L933-K938 PolarHBondContact O-N 3.09Å; Q936-K938 VanDerWaalsContact C-N 3.26Å; Q936-K938 HydrophobicContact CB-CD 4.11Å; Q936-K938 HydrophobicContact CB-CG 4.08Å; Q936-K938 PolarHBondContact O-N 3.47Å; Q936-K938 VanDerWaalsContact OE1-CE 3.29Å
939	E	94.2	Very high	95.8	Very high	164 Å²	164	45.8 Å²	45.8	77%	0.766	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-60.7	140.2	175.1	-70.3	-63.9	142.1	0	0	111.5
940	P	95.6	Very high	95.8	Very high	60 Å²	60	45.3 Å²	45.3	39%	0.39	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-66.9	146.9	179.6	27.2	-33.9	0	0	0	112	T896 N930 I942	T896-P940 HydrophobicContact CG2-CB 3.54Å; T896-P940 HydrophobicContact CG2-CG 4.36Å; N930-P940 WeakPolarHBondContact OD1-CA 3.47Å; N930-P940 WeakPolarHBondContact OD1-CB 3.27Å; P940-I942 HydrophobicContact CB-CD1 4.36Å
941	F	96.4	Very high	95.7	Very high	31 Å²	31	45.2 Å²	45.2	14%	0.136	25%	0.245	C	C	.	.			trans	-93.7	108	172.6	175.5	-116.5	0	0	0	110.5	M926 I929 N930 L933 M943 I991 I995	M926-F941 HydrophobicContact CE-CD1 3.78Å; M926-F941 HydrophobicContact CE-CE1 3.65Å; M926-F941 HydrophobicContact SD-CD1 4.01Å; M926-F941 HydrophobicContact SD-CE1 3.74Å; I929-F941 HydrophobicContact CG2-CB 3.98Å; I929-F941 HydrophobicContact CG2-CD1 4.18Å; I929-F941 HydrophobicContact CG2-CG 4.5Å; N930-F941 PolarHBondContact ND2-O 2.95Å; N930-F941 PolarHBondContact OD1-N 2.91Å; N930-F941 PolarHBondContact OD1-O 3.32Å; N930-F941 VanDerWaalsContact OD1-O 3.14Å; L933-F941 HydrophobicContact CD1-CB 3.74Å; F941-M943 HydrophobicContact CE1-CB 4.11Å; F941-M943 HydrophobicContact CZ-CB 4.07Å; F941-M943 HydrophobicContact CZ-CG 4.33Å; F941-I991 HydrophobicContact CD2-CG2 4.23Å; F941-I991 HydrophobicContact CE1-CG2 4.37Å; F941-I991 HydrophobicContact CE2-CG2 3.54Å; F941-I991 HydrophobicContact CZ-CG2 3.62Å; F941-I995 HydrophobicContact CB-CD1 4.34Å; F941-I995 HydrophobicContact CD1-CD1 3.84Å; F941-I995 HydrophobicContact CD2-CD1 4.25Å; F941-I995 HydrophobicContact CE1-CD1 4.21Å; F941-I995 HydrophobicContact CG-CD1 3.86Å
942	I	94.4	Very high	95.5	Very high	50 Å²	50	45 Å²	45	26%	0.256	24%	0.243	S	C	.	.			trans	-104.6	110.2	174.4	-51.6	-50.3	0	0	0	109.4	P895 T896 P940 K944	P895-I942 HydrophobicContact CB-CD1 3.89Å; P895-I942 HydrophobicContact CB-CG1 4.38Å; P895-I942 HydrophobicContact CB-CG2 3.7Å; T896-I942 HydrophobicContact CG2-CD1 3.44Å; T896-I942 VanDerWaalsContact CG2-CD1 3.44Å; P940-I942 HydrophobicContact CB-CD1 4.36Å; I942-K944 PolarHBondContact O-N 3.36Å
943	M	93.7	Very high	95.5	Very high	12 Å²	12	43 Å²	43	6%	0.059	23%	0.227	C	C	.	.			trans	-74.5	123.3	175.4	-166.3	178.6	-167.9	0	0	110.5	M926 F941 D947 I950 G951 L988	M926-M943 HydrophobicContact SD-CB 3.96Å; M926-M943 HydrophobicContact SD-SD 4.31Å; F941-M943 HydrophobicContact CE1-CB 4.11Å; F941-M943 HydrophobicContact CZ-CB 4.07Å; F941-M943 HydrophobicContact CZ-CG 4.33Å; M943-D947 HydrophobicContact CE-CB 4.33Å; M943-D947 HydrophobicContact CG-CB 3.95Å; M943-I950 HydrophobicContact CE-CB 4.39Å; M943-I950 HydrophobicContact SD-CB 3.54Å; M943-I950 VanDerWaalsContact SD-CB 3.54Å; M943-I950 HydrophobicContact SD-CD1 4.47Å; M943-I950 HydrophobicContact SD-CG2 3.76Å; M943-G951 WeakPolarHBondContact O-CA 3.35Å; M943-L988 HydrophobicContact CE-CD1 3.39Å; M943-L988 HydrophobicContact CE-CD2 3.5Å; M943-L988 HydrophobicContact CE-CG 4.09Å
944	K	92	Very high	95.5	Very high	67 Å²	67	42.6 Å²	42.6	29%	0.291	23%	0.225	S	C	.	.			trans	-83.8	161.4	-176.4	-55.2	166.7	174	-132.9	0	111	I942 S946 D947 G948 E1105	I942-K944 PolarHBondContact O-N 3.36Å; K944-S946 PolarHBondContact O-N 3.26Å; K944-S946 VanDerWaalsContact O-N 3.14Å; K944-D947 HydrophobicContact CB-CB 4.49Å; K944-D947 WeakPolarHBondContact CB-OD2 3.49Å; K944-D947 WeakPolarHBondContact CG-OD2 3.46Å; K944-D947 PolarHBondContact N-OD2 2.89Å; K944-D947 WeakPolarHBondContact O-CB 3.41Å; K944-D947 PolarHBondContact O-N 3.49Å; K944-G948 PolarHBondContact O-N 2.85Å; K944-E1105 VanDerWaalsContact CD-OE2 3.28Å; K944-E1105 WeakPolarHBondContact CD-OE2 3.36Å; K944-E1105 WeakPolarHBondContact CE-OE2 3.4Å; K944-E1105 IonicContact NZ-OE2 3.56Å; K944-E1105 PolarHBondContact NZ-OE2 3.35Å
945	R	92.1	Very high	95.3	Very high	11 Å²	11	40.6 Å²	40.6	4%	0.042	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.2	172.3	-57.6	180	68.4	80.6	11.1	113.1	D947 V952 D955 D956 R972 E974 L979	R945-D947 VanDerWaalsContact C-N 3.35Å; R945-V952 HydrophobicContact CB-CG2 4.04Å; R945-V952 HydrophobicContact CG-CG2 4.49Å; R945-V952 PolarHBondContact NH1-O 3.5Å; R945-D955 WeakPolarHBondContact CD-OD1 3.24Å; R945-D955 HydrophobicContact CG-CB 3.86Å; R945-D955 IonicContact CZ-OD1 3.97Å; R945-D955 IonicContact NE-OD1 2.97Å; R945-D955 IonicContact NH1-OD1 2.69Å; R945-D955 PolarHBondContact NH1-OD1 3.35Å; R945-D956 IonicContact CZ-OD1 2.67Å; R945-D956 IonicContact NH1-OD1 3.97Å; R945-D956 PolarHBondContact NH1-OD1 3.24Å; R945-D956 IonicContact NH2-OD1 2.77Å; R945-R972 PolarHBondContact NH2-O 3.39Å; R945-E974 IonicContact CZ-OE1 3.99Å; R945-E974 VanDerWaalsContact CZ-OE1 3.29Å; R945-E974 IonicContact CZ-OE2 2.62Å; R945-E974 IonicContact NE-OE1 3.81Å; R945-E974 PolarHBondContact NE-OE1 3.18Å; R945-E974 IonicContact NE-OE2 3.95Å; R945-E974 PolarHBondContact NE-OE2 3.38Å; R945-E974 VanDerWaalsContact NH2-CD 3.28Å; R945-E974 IonicContact NH2-OE1 3.34Å; R945-E974 PolarHBondContact NH2-OE1 3.19Å; R945-E974 IonicContact NH2-OE2 2.68Å; R945-E974 PolarHBondContact NH2-OE2 2.66Å; R945-L979 WeakPolarHBondContact O-CD1 3.17Å
946	S	92.1	Very high	95.1	Very high	14 Å²	14	36.9 Å²	36.9	10%	0.098	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-15.5	175.1	57.2	0	0	0	0	114.1	K944 L979 V1098	K944-S946 PolarHBondContact O-N 3.26Å; K944-S946 VanDerWaalsContact O-N 3.14Å; S946-L979 VanDerWaalsContact O-CD2 3.27Å; S946-L979 WeakPolarHBondContact O-CD2 3.35Å; S946-V1098 VanDerWaalsContact CB-CG1 3.47Å
947	D	93.9	Very high	95	Very high	34 Å²	34	31.7 Å²	31.7	18%	0.182	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-35.5	-172.1	-55.4	-18.2	0	0	0	110.2	M943 K944 R945 R987 L988	M943-D947 HydrophobicContact CE-CB 4.33Å; M943-D947 HydrophobicContact CG-CB 3.95Å; K944-D947 HydrophobicContact CB-CB 4.49Å; K944-D947 WeakPolarHBondContact CB-OD2 3.49Å; K944-D947 WeakPolarHBondContact CG-OD2 3.46Å; K944-D947 PolarHBondContact N-OD2 2.89Å; K944-D947 WeakPolarHBondContact O-CB 3.41Å; K944-D947 PolarHBondContact O-N 3.49Å; R945-D947 VanDerWaalsContact C-N 3.35Å; D947-R987 PolarHBondContact O-NH1 3Å; D947-L988 HydrophobicContact CB-CD2 4.41Å
948	G	95.3	Very high	95	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.139	C	C	.	.			trans	-176	172.8	178.5	0	0	0	0	0	115.6	E601 K944 I950 G951 V952	E601-G948 WeakPolarHBondContact OE1-CA 3.42Å; K944-G948 PolarHBondContact O-N 2.85Å; G948-I950 VanDerWaalsContact C-N 3.3Å; G948-G951 PolarHBondContact O-N 3.36Å; G948-V952 PolarHBondContact O-N 2.91Å; G948-V952 VanDerWaalsContact O-N 3.13Å
949	Y	96.8	Very high	94.7	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-65	-32.7	175.6	-90.6	-114.3	0	0	0	112.4	A594 V597 E601 G951 V952 M953 L968 T970 A973 L979	A594-Y949 HydrophobicContact CB-CD1 3.89Å; A594-Y949 HydrophobicContact CB-CE1 3.57Å; V597-Y949 HydrophobicContact CB-CD2 4.23Å; V597-Y949 HydrophobicContact CB-CE2 4.5Å; V597-Y949 HydrophobicContact CB-CG 4.36Å; V597-Y949 HydrophobicContact CG1-CD2 3.73Å; V597-Y949 HydrophobicContact CG1-CE2 4.13Å; V597-Y949 HydrophobicContact CG1-CG 4.22Å; V597-Y949 HydrophobicContact CG2-CE2 4.49Å; E601-Y949 VanDerWaalsContact CD-N 3.28Å; E601-Y949 PolarHBondContact OE1-N 3.34Å; E601-Y949 WeakPolarHBondContact OE2-CA 3.21Å; E601-Y949 PolarHBondContact OE2-N 3.26Å; Y949-G951 VanDerWaalsContact C-N 3.32Å; Y949-G951 PolarHBondContact O-N 3.47Å; Y949-V952 WeakPolarHBondContact O-CB 3.35Å; Y949-V952 PolarHBondContact O-N 3.34Å; Y949-M953 WeakPolarHBondContact O-CB 3.42Å; Y949-M953 PolarHBondContact O-N 3.18Å; Y949-L968 HydrophobicContact CD1-CD1 4.14Å; Y949-L968 HydrophobicContact CD1-CD2 3.94Å; Y949-L968 HydrophobicContact CD1-CG 4.01Å; Y949-T970 HydrophobicContact CE1-CG2 4.36Å; Y949-T970 WeakPolarHBondContact OH-CA 3.18Å; Y949-A973 HydrophobicContact CD2-CB 4.44Å; Y949-A973 HydrophobicContact CE1-CB 4.14Å; Y949-A973 HydrophobicContact CE2-CB 3.8Å; Y949-L979 HydrophobicContact CD2-CB 3.9Å; Y949-L979 HydrophobicContact CD2-CD1 4.2Å; Y949-L979 HydrophobicContact CE2-CB 3.7Å; Y949-L979 HydrophobicContact CE2-CD1 4.36Å; Y949-L979 WeakPolarHBondContact CE2-O 3.23Å
950	I	97.9	Very high	94.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.8	-46.3	171.1	-65.6	168.9	0	0	0	110.5	V598 E601 I602 L605 M926 M943 G948 V952 M953 I954	V598-I950 HydrophobicContact CG1-CD1 4.25Å; V598-I950 HydrophobicContact CG1-CG1 3.77Å; V598-I950 HydrophobicContact CG2-CG1 4.4Å; E601-I950 HydrophobicContact CB-CD1 3.86Å; E601-I950 HydrophobicContact CB-CG1 4.45Å; E601-I950 PolarHBondContact OE2-N 3.34Å; I602-I950 HydrophobicContact CG1-CD1 4.04Å; L605-I950 HydrophobicContact CD1-CD1 4.4Å; M926-I950 HydrophobicContact CG-CG2 3.55Å; M926-I950 HydrophobicContact SD-CG2 4.11Å; M943-I950 HydrophobicContact CE-CB 4.39Å; M943-I950 HydrophobicContact SD-CB 3.54Å; M943-I950 VanDerWaalsContact SD-CB 3.54Å; M943-I950 HydrophobicContact SD-CD1 4.47Å; M943-I950 HydrophobicContact SD-CG2 3.76Å; G948-I950 VanDerWaalsContact C-N 3.3Å; I950-V952 PolarHBondContact O-N 3.4Å; I950-M953 PolarHBondContact O-N 3.44Å; I950-I954 HydrophobicContact CG2-CD1 3.93Å; I950-I954 WeakPolarHBondContact O-CG1 3.31Å; I950-I954 PolarHBondContact O-N 2.78Å
951	G	95.9	Very high	94	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.8	-38.5	175.7	0	0	0	0	0	113.3	M943 G948 Y949 D955	M943-G951 WeakPolarHBondContact O-CA 3.35Å; G948-G951 PolarHBondContact O-N 3.36Å; Y949-G951 VanDerWaalsContact C-N 3.32Å; Y949-G951 PolarHBondContact O-N 3.47Å; G951-D955 VanDerWaalsContact O-CB 3.23Å; G951-D955 WeakPolarHBondContact O-CB 3.44Å; G951-D955 PolarHBondContact O-N 2.85Å
952	V	95.3	Very high	93.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.8	-45.6	173.1	170.7	0	0	0	0	111.5	R945 G948 Y949 I950 D956 R972 A973 L979	R945-V952 HydrophobicContact CB-CG2 4.04Å; R945-V952 HydrophobicContact CG-CG2 4.49Å; R945-V952 PolarHBondContact NH1-O 3.5Å; G948-V952 PolarHBondContact O-N 2.91Å; G948-V952 VanDerWaalsContact O-N 3.13Å; Y949-V952 WeakPolarHBondContact O-CB 3.35Å; Y949-V952 PolarHBondContact O-N 3.34Å; I950-V952 PolarHBondContact O-N 3.4Å; V952-D956 WeakPolarHBondContact O-CB 3.44Å; V952-D956 PolarHBondContact O-N 3.38Å; V952-R972 HydrophobicContact CG1-CB 4.12Å; V952-A973 HydrophobicContact CG2-CB 4.45Å; V952-L979 HydrophobicContact CG2-CD1 4.4Å
953	M	96.8	Very high	93.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.4	-52.4	179.6	173.8	176.4	61.4	0	0	111.8	T914 E919 Q923 Y949 I950 D955 D956 L957 Y966 L968	T914-M953 HydrophobicContact CG2-SD 4.19Å; E919-M953 HydrophobicContact CB-CE 4.41Å; E919-M953 HydrophobicContact CB-SD 3.49Å; E919-M953 WeakPolarHBondContact CB-SD 3.17Å; E919-M953 HydrophobicContact CG-SD 3.7Å; E919-M953 WeakPolarHBondContact O-CE 3.48Å; Q923-M953 HydrophobicContact CG-CE 3.79Å; Y949-M953 WeakPolarHBondContact O-CB 3.42Å; Y949-M953 PolarHBondContact O-N 3.18Å; I950-M953 PolarHBondContact O-N 3.44Å; M953-D955 PolarHBondContact O-N 2.63Å; M953-D956 PolarHBondContact O-N 2.81Å; M953-L957 HydrophobicContact CG-CD1 3.82Å; M953-L957 VanDerWaalsContact O-CG 3.31Å; M953-L957 WeakPolarHBondContact O-CG 3.4Å; M953-L957 PolarHBondContact O-N 3.27Å; M953-Y966 HydrophobicContact CB-CE1 4.19Å; M953-Y966 HydrophobicContact CG-CD1 4.21Å; M953-Y966 HydrophobicContact CG-CE1 3.65Å; M953-Y966 HydrophobicContact SD-CE1 4.41Å; M953-L968 HydrophobicContact CB-CD1 4.12Å
954	I	97.3	Very high	92.8	Very high	9 Å²	9	21.4 Å²	21.4	5%	0.046	11%	0.111	C	C	.	.	H	α-helix	trans	-61.3	-47.2	-178.6	-68.3	175.3	0	0	0	110	L897 Q923 M926 I950 D956 L957 V958	L897-I954 HydrophobicContact CD1-CD1 4.05Å; L897-I954 HydrophobicContact CD2-CD1 4.45Å; L897-I954 HydrophobicContact CD2-CG1 4.25Å; L897-I954 HydrophobicContact CD2-CG2 4.03Å; L897-I954 HydrophobicContact CG-CD1 4.29Å; Q923-I954 HydrophobicContact CG-CG1 4.33Å; M926-I954 HydrophobicContact CB-CD1 3.77Å; M926-I954 HydrophobicContact CG-CD1 3.63Å; I950-I954 HydrophobicContact CG2-CD1 3.93Å; I950-I954 WeakPolarHBondContact O-CG1 3.31Å; I950-I954 PolarHBondContact O-N 2.78Å; I954-D956 VanDerWaalsContact C-N 3.35Å; I954-D956 PolarHBondContact O-N 3.07Å; I954-L957 PolarHBondContact O-N 3.03Å; I954-V958 HydrophobicContact CG2-CG1 4.24Å; I954-V958 WeakPolarHBondContact O-CG1 3.41Å; I954-V958 WeakPolarHBondContact O-CG2 3.46Å; I954-V958 PolarHBondContact O-N 3.26Å
955	D	94.2	Very high	92.6	Very high	22 Å²	22	18.4 Å²	18.4	12%	0.118	10%	0.099	C	C	.	.	H	α-helix	trans	-59.6	-43.9	178	179.8	-81.3	0	0	0	111.7	R945 G951 M953 L957 T959 R1142	R945-D955 WeakPolarHBondContact CD-OD1 3.24Å; R945-D955 HydrophobicContact CG-CB 3.86Å; R945-D955 IonicContact CZ-OD1 3.97Å; R945-D955 IonicContact NE-OD1 2.97Å; R945-D955 IonicContact NH1-OD1 2.69Å; R945-D955 PolarHBondContact NH1-OD1 3.35Å; G951-D955 VanDerWaalsContact O-CB 3.23Å; G951-D955 WeakPolarHBondContact O-CB 3.44Å; G951-D955 PolarHBondContact O-N 2.85Å; M953-D955 PolarHBondContact O-N 2.63Å; D955-L957 PolarHBondContact O-N 3.02Å; D955-T959 WeakPolarHBondContact O-CA 3.25Å; D955-T959 WeakPolarHBondContact O-CB 3.49Å; D955-T959 PolarHBondContact O-N 3.33Å; D955-T959 PolarHBondContact O-OG1 3.1Å; D955-R1142 IonicContact OD1-NE 3.13Å; D955-R1142 PolarHBondContact OD1-NE 3.31Å; D955-R1142 VanDerWaalsContact OD1-NE 3.11Å; D955-R1142 IonicContact OD2-CZ 3.8Å; D955-R1142 VanDerWaalsContact OD2-CZ 3.31Å; D955-R1142 IonicContact OD2-NE 3.02Å; D955-R1142 PolarHBondContact OD2-NE 3.26Å; D955-R1142 VanDerWaalsContact OD2-NE 3.09Å; D955-R1142 IonicContact OD2-NH2 2.85Å; D955-R1142 PolarHBondContact OD2-NH2 3.2Å
956	D	94.3	Very high	92.6	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.011	10%	0.098	C	C	.	.	H	α-helix	trans	-60.2	-46	175.9	-86.5	5.2	0	0	0	111.5	R945 V952 M953 I954 K960 G961 Y966 R972	R945-D956 IonicContact CZ-OD1 2.67Å; R945-D956 IonicContact NH1-OD1 3.97Å; R945-D956 PolarHBondContact NH1-OD1 3.24Å; R945-D956 IonicContact NH2-OD1 2.77Å; V952-D956 WeakPolarHBondContact O-CB 3.44Å; V952-D956 PolarHBondContact O-N 3.38Å; M953-D956 PolarHBondContact O-N 2.81Å; I954-D956 VanDerWaalsContact C-N 3.35Å; I954-D956 PolarHBondContact O-N 3.07Å; D956-K960 WeakPolarHBondContact O-CA 3.45Å; D956-K960 VanDerWaalsContact O-CB 3.28Å; D956-K960 WeakPolarHBondContact O-CB 3.48Å; D956-K960 PolarHBondContact O-N 3.23Å; D956-K960 IonicContact OD1-NZ 3.34Å; D956-K960 PolarHBondContact OD1-NZ 2.56Å; D956-K960 IonicContact OD2-NZ 3.83Å; D956-G961 PolarHBondContact O-N 3.06Å; D956-Y966 HydrophobicContact CB-CE2 3.75Å; D956-Y966 PolarHBondContact OD2-OH 2.94Å; D956-R972 WeakPolarHBondContact OD2-CD 3.39Å; D956-R972 IonicContact OD2-CZ 3.23Å; D956-R972 IonicContact OD2-NE 2.83Å; D956-R972 IonicContact OD2-NH1 3.18Å; D956-R972 PolarHBondContact OD2-NH1 3.01Å
957	L	95.1	Very high	92.4	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-63	-53.2	-180	-71.3	166.6	0	0	0	111.9	P890 T914 M953 I954 D955 T959 G961 T962 Y966	P890-L957 HydrophobicContact CB-CB 3.98Å; P890-L957 HydrophobicContact CG-CB 4.39Å; P890-L957 HydrophobicContact CG-CD2 4.29Å; T914-L957 HydrophobicContact CG2-CD1 3.66Å; T914-L957 HydrophobicContact CG2-CD2 4.26Å; M953-L957 HydrophobicContact CG-CD1 3.82Å; M953-L957 VanDerWaalsContact O-CG 3.31Å; M953-L957 WeakPolarHBondContact O-CG 3.4Å; M953-L957 PolarHBondContact O-N 3.27Å; I954-L957 PolarHBondContact O-N 3.03Å; D955-L957 PolarHBondContact O-N 3.02Å; L957-T959 PolarHBondContact O-N 3.1Å; L957-G961 WeakPolarHBondContact O-CA 3.26Å; L957-G961 PolarHBondContact O-N 3.43Å; L957-G961 VanDerWaalsContact O-N 3.07Å; L957-T962 HydrophobicContact CD2-CG2 4.05Å; L957-Y966 HydrophobicContact CD2-CD1 4.39Å; L957-Y966 HydrophobicContact CD2-CD2 3.95Å; L957-Y966 HydrophobicContact CD2-CG 3.75Å; L957-Y966 HydrophobicContact CG-CD2 4.41Å; L957-Y966 HydrophobicContact CG-CG 4.34Å
958	V	94.5	Very high	92.2	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-78.1	-20.4	-173.3	-51.2	0	0	0	0	113.6	P890 L893 P895 I954	P890-V958 WeakPolarHBondContact O-CA 3.33Å; L893-V958 HydrophobicContact CB-CG1 3.92Å; P895-V958 HydrophobicContact CG-CG2 4.44Å; I954-V958 HydrophobicContact CG2-CG1 4.24Å; I954-V958 WeakPolarHBondContact O-CG1 3.41Å; I954-V958 WeakPolarHBondContact O-CG2 3.46Å; I954-V958 PolarHBondContact O-N 3.26Å
959	T	91.5	Very high	91.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-105.2	-38.6	-175.3	-48.6	0	0	0	0	112.9	D955 L957 I1132 Q1139 R1142 I1143	D955-T959 WeakPolarHBondContact O-CA 3.25Å; D955-T959 WeakPolarHBondContact O-CB 3.49Å; D955-T959 PolarHBondContact O-N 3.33Å; D955-T959 PolarHBondContact O-OG1 3.1Å; L957-T959 PolarHBondContact O-N 3.1Å; T959-I1132 WeakPolarHBondContact O-CD1 3.49Å; T959-Q1139 HydrophobicContact CG2-CG 3.62Å; T959-Q1139 WeakPolarHBondContact CG2-O 3.38Å; T959-Q1139 VanDerWaalsContact OG1-CG 3.3Å; T959-Q1139 WeakPolarHBondContact OG1-CG 3.29Å; T959-Q1139 PolarHBondContact OG1-NE2 3.34Å; T959-Q1139 VanDerWaalsContact OG1-NE2 3.16Å; T959-R1142 HydrophobicContact CG2-CB 4.16Å; T959-I1143 HydrophobicContact CG2-CG1 3.65Å
960	K	88.4	Confident	91.2	Very high	93 Å²	93	24 Å²	24	40%	0.404	12%	0.123	S	C	.	.	H	α-helix	trans	-99.5	-17.9	-179.9	-59.1	172.9	-177	157.8	0	111.9	D956	D956-K960 WeakPolarHBondContact O-CA 3.45Å; D956-K960 VanDerWaalsContact O-CB 3.28Å; D956-K960 WeakPolarHBondContact O-CB 3.48Å; D956-K960 PolarHBondContact O-N 3.23Å; D956-K960 IonicContact OD1-NZ 3.34Å; D956-K960 PolarHBondContact OD1-NZ 2.56Å; D956-K960 IonicContact OD2-NZ 3.83Å
961	G	87	Confident	90.5	Very high	18 Å²	18	28 Å²	28	19%	0.186	15%	0.151	C	C	.	.			trans	68	-174.7	-166.5	0	0	0	0	0	111.3	D956 L957	D956-G961 PolarHBondContact O-N 3.06Å; L957-G961 WeakPolarHBondContact O-CA 3.26Å; L957-G961 PolarHBondContact O-N 3.43Å; L957-G961 VanDerWaalsContact O-N 3.07Å
962	T	86.9	Confident	90	Very high	19 Å²	19	31.9 Å²	31.9	12%	0.117	17%	0.165	C	C	.	.			trans	-148	140.1	169.6	-166.6	0	0	0	0	109.3	F736 M887 P890 L957 E964	F736-T962 HydrophobicContact CE2-CG2 3.74Å; F736-T962 HydrophobicContact CZ-CG2 3.82Å; M887-T962 HydrophobicContact CE-CG2 4.07Å; P890-T962 HydrophobicContact CG-CG2 4.11Å; L957-T962 HydrophobicContact CD2-CG2 4.05Å; T962-E964 PolarHBondContact OG1-O 2.77Å
963	N	84.6	Confident	89.6	Confident	139 Å²	139	32 Å²	32	74%	0.743	17%	0.166	S	C	*	.	S	Bend	trans	-107.5	-1.6	179.8	-64	-10.9	0	0	0	112.1	F736 V812	F736-N963 WeakPolarHBondContact CE1-O 3.35Å; V812-N963 WeakPolarHBondContact CB-O 3.06Å; V812-N963 WeakPolarHBondContact CG1-O 3.36Å
964	E	85.9	Confident	89	Confident	18 Å²	18	36.7 Å²	36.7	8%	0.084	19%	0.188	C	C	.	.	S	Bend	trans	-145.4	165.4	177.3	64.5	-173.2	159	0	0	107.6	F736 V812 R815 T962 Y966	F736-E964 WeakPolarHBondContact CE2-O 3.06Å; F736-E964 VanDerWaalsContact CZ-N 3.27Å; F736-E964 VanDerWaalsContact CZ-O 3.28Å; F736-E964 WeakPolarHBondContact CZ-O 3.37Å; V812-E964 HydrophobicContact CG1-CB 4.11Å; R815-E964 WeakPolarHBondContact CB-OE2 3.27Å; R815-E964 WeakPolarHBondContact CG-OE2 2.98Å; R815-E964 IonicContact CZ-OE1 2.82Å; R815-E964 VanDerWaalsContact CZ-OE1 3.24Å; R815-E964 IonicContact CZ-OE2 3.8Å; R815-E964 PolarHBondContact N-OE2 3.34Å; R815-E964 VanDerWaalsContact NE-CD 3.31Å; R815-E964 IonicContact NE-OE1 2.87Å; R815-E964 PolarHBondContact NE-OE1 3.5Å; R815-E964 IonicContact NE-OE2 3.63Å; R815-E964 PolarHBondContact NE-OE2 3.06Å; R815-E964 IonicContact NH2-OE1 3.18Å; R815-E964 PolarHBondContact NH2-OE1 2.89Å; T962-E964 PolarHBondContact OG1-O 2.77Å; E964-Y966 PolarHBondContact O-N 3.28Å
965	P	88.5	Confident	88.6	Confident	4 Å²	4	37.3 Å²	37.3	3%	0.026	19%	0.19	C	C	.	.			trans	-51.5	115.7	174	-24.4	28.2	0	0	0	111.4	F736 K737 T738 V812 A814 G913 R967	F736-P965 HydrophobicContact CB-CG 4.04Å; F736-P965 HydrophobicContact CD2-CB 4.38Å; F736-P965 HydrophobicContact CD2-CG 4.07Å; F736-P965 HydrophobicContact CG-CG 4.13Å; K737-P965 WeakPolarHBondContact O-CG 3.41Å; T738-P965 HydrophobicContact CG2-CB 4.13Å; T738-P965 HydrophobicContact CG2-CG 3.93Å; V812-P965 VanDerWaalsContact O-CD 3.29Å; V812-P965 WeakPolarHBondContact O-CD 3.1Å; A814-P965 HydrophobicContact CB-CB 4.15Å; A814-P965 HydrophobicContact CB-CG 4.13Å; G913-P965 CarbonylContact O-C 3.58Å; G913-P965 WeakPolarHBondContact O-CA 3.22Å; P965-R967 PolarHBondContact O-N 2.92Å
966	Y	91.8	Very high	88.3	Confident	5 Å²	5	41.3 Å²	41.3	2%	0.02	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-62.7	135.4	-179.8	-179.7	-86.3	0	0	0	109.4	G913 T914 S915 M953 D956 L957 E964 L968 R972	G913-Y966 WeakPolarHBondContact O-CB 3.18Å; G913-Y966 PolarHBondContact O-N 2.97Å; T914-Y966 HydrophobicContact CG2-CD1 4.03Å; T914-Y966 HydrophobicContact CG2-CG 4.49Å; S915-Y966 PolarHBondContact N-O 2.82Å; S915-Y966 PolarHBondContact OG-O 2.77Å; S915-Y966 VanDerWaalsContact OG-O 3.1Å; M953-Y966 HydrophobicContact CB-CE1 4.19Å; M953-Y966 HydrophobicContact CG-CD1 4.21Å; M953-Y966 HydrophobicContact CG-CE1 3.65Å; M953-Y966 HydrophobicContact SD-CE1 4.41Å; D956-Y966 HydrophobicContact CB-CE2 3.75Å; D956-Y966 PolarHBondContact OD2-OH 2.94Å; L957-Y966 HydrophobicContact CD2-CD1 4.39Å; L957-Y966 HydrophobicContact CD2-CD2 3.95Å; L957-Y966 HydrophobicContact CD2-CG 3.75Å; L957-Y966 HydrophobicContact CG-CD2 4.41Å; L957-Y966 HydrophobicContact CG-CG 4.34Å; E964-Y966 PolarHBondContact O-N 3.28Å; Y966-L968 HydrophobicContact CE1-CB 4.08Å; Y966-L968 HydrophobicContact CE1-CD1 4.24Å; Y966-R972 WeakPolarHBondContact OH-CD 3.48Å
967	R	87.7	Confident	88	Confident	87 Å²	87	43.5 Å²	43.5	33%	0.328	22%	0.215	S	C	.	.			trans	-132.9	121.2	177.4	-162.7	170.1	-175.8	129.7	-12.6	109.9	C817 E919 P965 L969	C817-R967 PolarHBondContact SG-NH1 3.36Å; E919-R967 WeakPolarHBondContact OE1-CA 3.46Å; P965-R967 PolarHBondContact O-N 2.92Å; R967-L969 PolarHBondContact O-N 2.89Å
968	L	89.4	Confident	87.8	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.021	22%	0.218	C	C	.	.			trans	-73	123.1	178.9	-170.6	61.5	0	0	0	110.2	A594 V598 E919 Y949 M953 Y966	A594-L968 HydrophobicContact CB-CD2 4.44Å; A594-L968 HydrophobicContact CB-CG 4.02Å; V598-L968 HydrophobicContact CG2-CD2 3.34Å; E919-L968 HydrophobicContact CG-CB 4.29Å; E919-L968 VanDerWaalsContact OE1-CB 3.23Å; E919-L968 WeakPolarHBondContact OE1-CB 3.41Å; E919-L968 PolarHBondContact OE1-N 3.18Å; Y949-L968 HydrophobicContact CD1-CD1 4.14Å; Y949-L968 HydrophobicContact CD1-CD2 3.94Å; Y949-L968 HydrophobicContact CD1-CG 4.01Å; M953-L968 HydrophobicContact CB-CD1 4.12Å; Y966-L968 HydrophobicContact CE1-CB 4.08Å; Y966-L968 HydrophobicContact CE1-CD1 4.24Å
969	L	87.5	Confident	87.8	Confident	49 Å²	49	44.1 Å²	44.1	26%	0.257	22%	0.218	S	C	.	.			trans	-123.8	146.6	179.4	-62.3	176.1	0	0	0	109.4	Y816 R967 S971 R972	Y816-L969 HydrophobicContact CD1-CD1 4.18Å; Y816-L969 HydrophobicContact CE1-CD1 4.21Å; Y816-L969 HydrophobicContact CG-CD1 4.39Å; R967-L969 PolarHBondContact O-N 2.89Å; L969-S971 PolarHBondContact O-N 3.24Å; L969-S971 VanDerWaalsContact O-N 3.16Å; L969-R972 WeakPolarHBondContact O-CB 3.45Å; L969-R972 PolarHBondContact O-N 2.93Å
970	T	84.3	Confident	87.9	Confident	33 Å²	33	44.4 Å²	44.4	20%	0.202	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-60.1	-29.1	177.7	57.5	0	0	0	0	112.3	A594 Y949 R972 A973 R976	A594-T970 HydrophobicContact CB-CG2 3.82Å; Y949-T970 HydrophobicContact CE1-CG2 4.36Å; Y949-T970 WeakPolarHBondContact OH-CA 3.18Å; T970-R972 PolarHBondContact O-N 3.08Å; T970-A973 PolarHBondContact O-N 3.49Å; T970-R976 WeakPolarHBondContact O-CD 3.44Å; T970-R976 WeakPolarHBondContact O-CG 3.41Å
971	S	84.2	Confident	88	Confident	84 Å²	84	40.4 Å²	40.4	59%	0.587	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-64.9	-20.2	176.7	52.7	0	0	0	0	114.5	L969 A973	L969-S971 PolarHBondContact O-N 3.24Å; L969-S971 VanDerWaalsContact O-N 3.16Å; S971-A973 VanDerWaalsContact C-N 3.34Å
972	R	85	Confident	88.3	Confident	81 Å²	81	40.5 Å²	40.5	31%	0.306	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-78.2	-19.9	178.2	-69.6	-178.3	171.9	-95.3	1.4	113.1	R945 V952 D956 Y966 L969 T970	R945-R972 PolarHBondContact NH2-O 3.39Å; V952-R972 HydrophobicContact CG1-CB 4.12Å; D956-R972 WeakPolarHBondContact OD2-CD 3.39Å; D956-R972 IonicContact OD2-CZ 3.23Å; D956-R972 IonicContact OD2-NE 2.83Å; D956-R972 IonicContact OD2-NH1 3.18Å; D956-R972 PolarHBondContact OD2-NH1 3.01Å; Y966-R972 WeakPolarHBondContact OH-CD 3.48Å; L969-R972 WeakPolarHBondContact O-CB 3.45Å; L969-R972 PolarHBondContact O-N 2.93Å; T970-R972 PolarHBondContact O-N 3.08Å
973	A	86.4	Confident	88.7	Confident	3 Å²	3	40.2 Å²	40.2	3%	0.025	20%	0.196	C	C	.	.			trans	-83.4	117.7	176.3	0	0	0	0	0	110.9	Y949 V952 T970 S971 Y975 R976 L979	Y949-A973 HydrophobicContact CD2-CB 4.44Å; Y949-A973 HydrophobicContact CE1-CB 4.14Å; Y949-A973 HydrophobicContact CE2-CB 3.8Å; V952-A973 HydrophobicContact CG2-CB 4.45Å; T970-A973 PolarHBondContact O-N 3.49Å; S971-A973 VanDerWaalsContact C-N 3.34Å; A973-Y975 PolarHBondContact O-N 3.37Å; A973-R976 HydrophobicContact CB-CG 4.03Å; A973-R976 WeakPolarHBondContact O-CG 3.37Å; A973-L979 HydrophobicContact CB-CD1 4.27Å
974	E	84.5	Confident	89.3	Confident	99 Å²	99	33.6 Å²	33.6	46%	0.463	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.3	178.6	-58.7	93.5	143.8	0	0	112.2	R945	R945-E974 IonicContact CZ-OE1 3.99Å; R945-E974 VanDerWaalsContact CZ-OE1 3.29Å; R945-E974 IonicContact CZ-OE2 2.62Å; R945-E974 IonicContact NE-OE1 3.81Å; R945-E974 PolarHBondContact NE-OE1 3.18Å; R945-E974 IonicContact NE-OE2 3.95Å; R945-E974 PolarHBondContact NE-OE2 3.38Å; R945-E974 VanDerWaalsContact NH2-CD 3.28Å; R945-E974 IonicContact NH2-OE1 3.34Å; R945-E974 PolarHBondContact NH2-OE1 3.19Å; R945-E974 IonicContact NH2-OE2 2.68Å; R945-E974 PolarHBondContact NH2-OE2 2.66Å
975	Y	88.1	Confident	89.8	Confident	21 Å²	21	33 Å²	33	8%	0.082	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	38.2	-170.3	-56.1	-64.2	0	0	0	113.6	A973 L977 I978 L979 A1094 K1097 V1098 L1101	A973-Y975 PolarHBondContact O-N 3.37Å; Y975-L977 PolarHBondContact O-N 3.08Å; Y975-I978 HydrophobicContact CD1-CD1 4.3Å; Y975-I978 HydrophobicContact CG-CD1 4.47Å; Y975-I978 WeakPolarHBondContact O-CA 3.07Å; Y975-I978 WeakPolarHBondContact O-CB 3.05Å; Y975-I978 PolarHBondContact O-N 2.87Å; Y975-L979 PolarHBondContact O-N 2.8Å; Y975-A1094 HydrophobicContact CD1-CB 4.44Å; Y975-K1097 HydrophobicContact CE1-CB 4.11Å; Y975-V1098 HydrophobicContact CD1-CG2 3.78Å; Y975-V1098 HydrophobicContact CD2-CG2 4.02Å; Y975-V1098 HydrophobicContact CE1-CG2 3.6Å; Y975-V1098 HydrophobicContact CE2-CG2 3.85Å; Y975-V1098 HydrophobicContact CG-CG2 3.98Å; Y975-L1101 HydrophobicContact CE2-CD1 4.38Å; Y975-L1101 WeakPolarHBondContact OH-CD1 3.27Å
976	R	88.9	Confident	90.2	Very high	106 Å²	106	34.7 Å²	34.7	40%	0.4	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-30.6	-176.8	-72.5	-178.8	-82.8	175.1	2.2	116.3	A630 T970 A973 I978 R980	A630-R976 HydrophobicContact CB-CB 4.18Å; T970-R976 WeakPolarHBondContact O-CD 3.44Å; T970-R976 WeakPolarHBondContact O-CG 3.41Å; A973-R976 HydrophobicContact CB-CG 4.03Å; A973-R976 WeakPolarHBondContact O-CG 3.37Å; R976-I978 VanDerWaalsContact C-N 3.35Å; R976-R980 WeakPolarHBondContact O-CG 3.47Å
977	L	87.7	Confident	90.3	Very high	48 Å²	48	36.3 Å²	36.3	25%	0.251	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-24.7	176.9	-81.8	168.9	0	0	0	113.3	A630 Y975 R980 Y1087 Y1090	A630-L977 HydrophobicContact CB-CD2 3.91Å; A630-L977 HydrophobicContact CB-CG 4.23Å; Y975-L977 PolarHBondContact O-N 3.08Å; L977-R980 WeakPolarHBondContact O-CD 3.43Å; L977-R980 WeakPolarHBondContact O-CG 3.47Å; L977-R980 PolarHBondContact O-NH1 2.71Å; L977-Y1087 HydrophobicContact CD2-CD1 3.97Å; L977-Y1087 HydrophobicContact CD2-CE1 4.42Å; L977-Y1087 HydrophobicContact CD2-CG 4.31Å; L977-Y1090 HydrophobicContact CD1-CG 4.49Å
978	I	90.7	Very high	90.8	Very high	15 Å²	15	32.2 Å²	32.2	8%	0.077	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-44.6	173.6	-60.4	171.6	0	0	0	109.3	Y975 R976 R980 N983 A1094 M1095 V1098	Y975-I978 HydrophobicContact CD1-CD1 4.3Å; Y975-I978 HydrophobicContact CG-CD1 4.47Å; Y975-I978 WeakPolarHBondContact O-CA 3.07Å; Y975-I978 WeakPolarHBondContact O-CB 3.05Å; Y975-I978 PolarHBondContact O-N 2.87Å; R976-I978 VanDerWaalsContact C-N 3.35Å; I978-R980 VanDerWaalsContact C-N 3.35Å; I978-R980 PolarHBondContact O-N 2.91Å; I978-R980 VanDerWaalsContact O-N 3.13Å; I978-N983 PolarHBondContact O-ND2 3.08Å; I978-N983 PolarHBondContact O-OD1 3.01Å; I978-A1094 HydrophobicContact CD1-CB 3.49Å; I978-A1094 VanDerWaalsContact CD1-CB 3.49Å; I978-A1094 HydrophobicContact CG1-CB 3.97Å; I978-M1095 HydrophobicContact CD1-CG 4.04Å; I978-M1095 HydrophobicContact CD1-SD 3.7Å; I978-M1095 HydrophobicContact CG1-SD 4.37Å; I978-M1095 HydrophobicContact CG2-SD 4.37Å; I978-V1098 HydrophobicContact CD1-CG2 4.06Å
979	L	94.1	Very high	91.3	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.159	C	C	.	.	S	Bend	trans	-88	70.4	-176.9	-54.8	-176	0	0	0	110.8	R945 S946 Y949 V952 A973 Y975	R945-L979 WeakPolarHBondContact O-CD1 3.17Å; S946-L979 VanDerWaalsContact O-CD2 3.27Å; S946-L979 WeakPolarHBondContact O-CD2 3.35Å; Y949-L979 HydrophobicContact CD2-CB 3.9Å; Y949-L979 HydrophobicContact CD2-CD1 4.2Å; Y949-L979 HydrophobicContact CE2-CB 3.7Å; Y949-L979 HydrophobicContact CE2-CD1 4.36Å; Y949-L979 WeakPolarHBondContact CE2-O 3.23Å; V952-L979 HydrophobicContact CG2-CD1 4.4Å; A973-L979 HydrophobicContact CB-CD1 4.27Å; Y975-L979 PolarHBondContact O-N 2.8Å
980	R	93.9	Very high	91.8	Very high	6 Å²	6	33.2 Å²	33.2	2%	0.023	16%	0.161	C	C	.	.			trans	-100	162.2	-179.5	-51.5	-171	-54	-84.3	-1.5	111.1	R976 L977 I978 D982 N983 R987	R976-R980 WeakPolarHBondContact O-CG 3.47Å; L977-R980 WeakPolarHBondContact O-CD 3.43Å; L977-R980 WeakPolarHBondContact O-CG 3.47Å; L977-R980 PolarHBondContact O-NH1 2.71Å; I978-R980 VanDerWaalsContact C-N 3.35Å; I978-R980 PolarHBondContact O-N 2.91Å; I978-R980 VanDerWaalsContact O-N 3.13Å; R980-D982 VanDerWaalsContact C-N 3.35Å; R980-D982 WeakPolarHBondContact CB-OD1 3.31Å; R980-D982 IonicContact CZ-OD2 2.67Å; R980-D982 IonicContact NE-OD1 2.86Å; R980-D982 PolarHBondContact NE-OD1 3.23Å; R980-D982 VanDerWaalsContact NE-OD1 3.13Å; R980-D982 IonicContact NE-OD2 3.06Å; R980-D982 PolarHBondContact NE-OD2 2.85Å; R980-D982 IonicContact NH2-OD2 2.75Å; R980-D982 PolarHBondContact NH2-OD2 3.03Å; R980-N983 WeakPolarHBondContact CA-OD1 3.29Å; R980-N983 WeakPolarHBondContact CB-OD1 3.35Å; R980-N983 PolarHBondContact N-OD1 3.14Å; R980-N983 VanDerWaalsContact N-OD1 3.1Å; R980-N983 PolarHBondContact O-OD1 2.67Å; R980-R987 PolarHBondContact O-NH2 3.4Å
981	H	91.4	Very high	92.4	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.037	16%	0.162	C	C	.	.	S	Bend	trans	-62.1	-44.2	173.4	176.8	-66.3	0	0	0	111.7	V597 R600 L634 Y768 N983	V597-H981 HydrophobicContact CG2-CB 4.13Å; R600-H981 PolarHBondContact NE-CE1 3.47Å; L634-H981 WeakPolarHBondContact CB-NE2 3.09Å; L634-H981 PolarHBondContact N-CD2 3.29Å; L634-H981 PolarHBondContact N-NE2 3Å; Y768-H981 PolarHBondContact OH-O 3.22Å; H981-N983 VanDerWaalsContact C-N 3.32Å; H981-N983 PolarHBondContact O-N 2.97Å
982	D	92.9	Very high	93	Very high	21 Å²	21	29.6 Å²	29.6	11%	0.112	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.8	-170.5	55	-80.6	0	0	0	114.3	Y768 R980 Q1080	Y768-D982 PolarHBondContact OH-O 3.19Å; R980-D982 VanDerWaalsContact C-N 3.35Å; R980-D982 WeakPolarHBondContact CB-OD1 3.31Å; R980-D982 IonicContact CZ-OD2 2.67Å; R980-D982 IonicContact NE-OD1 2.86Å; R980-D982 PolarHBondContact NE-OD1 3.23Å; R980-D982 VanDerWaalsContact NE-OD1 3.13Å; R980-D982 IonicContact NE-OD2 3.06Å; R980-D982 PolarHBondContact NE-OD2 2.85Å; R980-D982 IonicContact NH2-OD2 2.75Å; R980-D982 PolarHBondContact NH2-OD2 3.03Å; D982-Q1080 VanDerWaalsContact CB-NE2 3.35Å; D982-Q1080 PolarHBondContact O-NE2 2.82Å; D982-Q1080 PolarHBondContact OD2-NE2 3.47Å; D982-Q1080 PolarHBondContact OD2-OE1 3.46Å
983	N	95.1	Very high	93.6	Very high	13 Å²	13	28.2 Å²	28.2	7%	0.07	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	19.5	-170	79.4	-21.8	0	0	0	114.8	I978 R980 H981 D985 L986 R987	I978-N983 PolarHBondContact O-ND2 3.08Å; I978-N983 PolarHBondContact O-OD1 3.01Å; R980-N983 WeakPolarHBondContact CA-OD1 3.29Å; R980-N983 WeakPolarHBondContact CB-OD1 3.35Å; R980-N983 PolarHBondContact N-OD1 3.14Å; R980-N983 VanDerWaalsContact N-OD1 3.1Å; R980-N983 PolarHBondContact O-OD1 2.67Å; H981-N983 VanDerWaalsContact C-N 3.32Å; H981-N983 PolarHBondContact O-N 2.97Å; N983-D985 PolarHBondContact O-N 2.88Å; N983-L986 HydrophobicContact CB-CB 4.36Å; N983-L986 HydrophobicContact CB-CD1 4.19Å; N983-L986 PolarHBondContact O-N 3.15Å; N983-R987 PolarHBondContact O-N 2.86Å; N983-R987 PolarHBondContact O-NE 3.29Å; N983-R987 PolarHBondContact OD1-NE 2.91Å
984	A	96.7	Very high	94.1	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.8	-37.7	178.9	0	0	0	0	0	112	R600 E601 A604 Y768 R987 L988	R600-A984 HydrophobicContact CB-CB 3.86Å; E601-A984 HydrophobicContact CG-CB 4.05Å; A604-A984 HydrophobicContact CB-CB 4.17Å; Y768-A984 HydrophobicContact CE2-CB 4.31Å; Y768-A984 PolarHBondContact OH-N 3.46Å; A984-R987 PolarHBondContact O-N 2.97Å; A984-R987 VanDerWaalsContact O-N 3.14Å; A984-L988 WeakPolarHBondContact O-CB 3.5Å; A984-L988 PolarHBondContact O-N 2.67Å
985	D	96.8	Very high	94.6	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-48.4	173.5	62.1	-32.8	0	0	0	113	Y768 N983 R987 L988 T989 Y1006 K1009	Y768-D985 HydrophobicContact CD1-CB 4.16Å; Y768-D985 HydrophobicContact CD2-CB 3.9Å; Y768-D985 HydrophobicContact CE1-CB 3.97Å; Y768-D985 VanDerWaalsContact CE1-CG 3.49Å; Y768-D985 WeakPolarHBondContact CE1-OD1 3.5Å; Y768-D985 HydrophobicContact CE2-CB 3.72Å; Y768-D985 HydrophobicContact CG-CB 4.1Å; Y768-D985 PolarHBondContact OH-N 3.45Å; Y768-D985 PolarHBondContact OH-OD1 3.08Å; N983-D985 PolarHBondContact O-N 2.88Å; D985-R987 PolarHBondContact O-N 2.86Å; D985-L988 PolarHBondContact O-N 3.02Å; D985-T989 VanDerWaalsContact CA-OG1 3.24Å; D985-T989 WeakPolarHBondContact CA-OG1 3.45Å; D985-T989 WeakPolarHBondContact CB-OG1 3.34Å; D985-T989 WeakPolarHBondContact O-CB 3.33Å; D985-T989 PolarHBondContact O-N 3.41Å; D985-T989 PolarHBondContact O-OG1 3.49Å; D985-Y1006 HydrophobicContact CB-CD2 4.4Å; D985-Y1006 WeakPolarHBondContact O-CE2 3.34Å; D985-K1009 IonicContact OD1-NZ 3.82Å; D985-K1009 WeakPolarHBondContact OD2-CE 3.35Å; D985-K1009 IonicContact OD2-NZ 2.8Å; D985-K1009 PolarHBondContact OD2-NZ 3.02Å
986	L	96.4	Very high	94.9	Very high	40 Å²	40	34.1 Å²	34.1	21%	0.209	17%	0.173	C	C	.	.	H	α-helix	trans	-59.2	-19.3	175.8	-60.9	-176.6	0	0	0	113.5	N983 Y1006 K1010 I1013 Q1080	N983-L986 HydrophobicContact CB-CB 4.36Å; N983-L986 HydrophobicContact CB-CD1 4.19Å; N983-L986 PolarHBondContact O-N 3.15Å; L986-Y1006 HydrophobicContact CD2-CE2 3.92Å; L986-K1010 HydrophobicContact CD2-CB 4.39Å; L986-I1013 HydrophobicContact CD1-CD1 4.45Å; L986-I1013 HydrophobicContact CD2-CD1 4.47Å; L986-Q1080 HydrophobicContact CD1-CG 4.32Å
987	R	95.6	Very high	95.2	Very high	40 Å²	40	32.6 Å²	32.6	15%	0.151	17%	0.172	C	C	.	.	H	α-helix	trans	-97.2	-40.1	178	-68.1	-178	-73.5	120.4	-8.2	112.7	E601 D947 R980 N983 A984 D985	E601-R987 IonicContact OE1-CZ 2.65Å; E601-R987 IonicContact OE1-NH1 3.71Å; E601-R987 PolarHBondContact OE1-NH1 3.34Å; E601-R987 IonicContact OE1-NH2 2.76Å; E601-R987 PolarHBondContact OE1-NH2 3.44Å; D947-R987 PolarHBondContact O-NH1 3Å; R980-R987 PolarHBondContact O-NH2 3.4Å; N983-R987 PolarHBondContact O-N 2.86Å; N983-R987 PolarHBondContact O-NE 3.29Å; N983-R987 PolarHBondContact OD1-NE 2.91Å; A984-R987 PolarHBondContact O-N 2.97Å; A984-R987 VanDerWaalsContact O-N 3.14Å; D985-R987 PolarHBondContact O-N 2.86Å
988	L	98.1	Very high	95.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-122.2	-20.4	-159.4	-57.1	-180	0	0	0	115	E601 A604 L605 M943 D947 A984 D985 E990 I991 G992	E601-L988 HydrophobicContact CB-CD1 3.62Å; E601-L988 HydrophobicContact CG-CD1 3.61Å; A604-L988 HydrophobicContact CB-CB 3.99Å; L605-L988 HydrophobicContact CD1-CD1 4.33Å; L605-L988 HydrophobicContact CD2-CB 3.98Å; L605-L988 HydrophobicContact CG-CB 4.06Å; L605-L988 HydrophobicContact CG-CD1 4.16Å; M943-L988 HydrophobicContact CE-CD1 3.39Å; M943-L988 HydrophobicContact CE-CD2 3.5Å; M943-L988 HydrophobicContact CE-CG 4.09Å; D947-L988 HydrophobicContact CB-CD2 4.41Å; A984-L988 WeakPolarHBondContact O-CB 3.5Å; A984-L988 PolarHBondContact O-N 2.67Å; D985-L988 PolarHBondContact O-N 3.02Å; L988-E990 VanDerWaalsContact C-N 3.34Å; L988-E990 PolarHBondContact O-N 3.39Å; L988-I991 HydrophobicContact CD2-CD1 4.16Å; L988-I991 WeakPolarHBondContact O-CA 3.4Å; L988-I991 WeakPolarHBondContact O-CB 3.29Å; L988-I991 PolarHBondContact O-N 3.45Å; L988-G992 PolarHBondContact O-N 3.11Å
989	T	98.1	Very high	95.8	Very high	10 Å²	10	36.4 Å²	36.4	6%	0.061	19%	0.189	C	C	.	.	H	α-helix	trans	-63.5	-38.1	-175.4	-62.6	0	0	0	0	113.1	A604 D985 I991 G992 H993 V998 Y1003 Y1006	A604-T989 VanDerWaalsContact O-CA 3.24Å; A604-T989 WeakPolarHBondContact O-CA 3.23Å; A604-T989 PolarHBondContact O-OG1 3.35Å; D985-T989 VanDerWaalsContact CA-OG1 3.24Å; D985-T989 WeakPolarHBondContact CA-OG1 3.45Å; D985-T989 WeakPolarHBondContact CB-OG1 3.34Å; D985-T989 WeakPolarHBondContact O-CB 3.33Å; D985-T989 PolarHBondContact O-N 3.41Å; D985-T989 PolarHBondContact O-OG1 3.49Å; T989-I991 VanDerWaalsContact C-N 3.25Å; T989-I991 PolarHBondContact O-N 3.07Å; T989-G992 PolarHBondContact O-N 3.14Å; T989-H993 PolarHBondContact O-N 3.3Å; T989-V998 HydrophobicContact CG2-CG1 3.98Å; T989-V998 HydrophobicContact CG2-CG2 4.42Å; T989-Y1003 HydrophobicContact CG2-CD2 4.4Å; T989-Y1006 HydrophobicContact CG2-CD1 3.97Å; T989-Y1006 HydrophobicContact CG2-CD2 4.27Å; T989-Y1006 HydrophobicContact CG2-CG 3.75Å
990	E	98	Very high	96	Very high	64 Å²	64	41.1 Å²	41.1	30%	0.299	21%	0.211	S	C	.	.	H	α-helix	trans	-63.8	-32.1	173.3	-173.4	-179.1	157.2	0	0	112.4	L988 K994 Y1003 Y1006	L988-E990 VanDerWaalsContact C-N 3.34Å; L988-E990 PolarHBondContact O-N 3.39Å; E990-K994 HydrophobicContact CG-CD 4.48Å; E990-K994 VanDerWaalsContact O-CG 3.28Å; E990-K994 WeakPolarHBondContact O-CG 3.45Å; E990-K994 PolarHBondContact O-N 3.17Å; E990-K994 VanDerWaalsContact O-N 3.11Å; E990-K994 WeakPolarHBondContact OE1-CE 3.23Å; E990-K994 IonicContact OE1-NZ 2.89Å; E990-K994 PolarHBondContact OE1-NZ 2.9Å; E990-Y1003 HydrophobicContact CB-CE2 4.13Å; E990-Y1003 HydrophobicContact CG-CE2 4.21Å; E990-Y1006 HydrophobicContact CB-CE1 4.41Å
991	I	97.2	Very high	96	Very high	42 Å²	42	48.3 Å²	48.3	22%	0.215	25%	0.245	C	C	.	.	H	α-helix	trans	-72.4	-46.2	175.9	-60.8	174.8	0	0	0	109.8	L605 F941 L988 T989 H993 K994 I995	L605-I991 HydrophobicContact CD2-CB 4.41Å; L605-I991 HydrophobicContact CD2-CG2 4.23Å; F941-I991 HydrophobicContact CD2-CG2 4.23Å; F941-I991 HydrophobicContact CE1-CG2 4.37Å; F941-I991 HydrophobicContact CE2-CG2 3.54Å; F941-I991 HydrophobicContact CZ-CG2 3.62Å; L988-I991 HydrophobicContact CD2-CD1 4.16Å; L988-I991 WeakPolarHBondContact O-CA 3.4Å; L988-I991 WeakPolarHBondContact O-CB 3.29Å; L988-I991 PolarHBondContact O-N 3.45Å; T989-I991 VanDerWaalsContact C-N 3.25Å; T989-I991 PolarHBondContact O-N 3.07Å; I991-H993 VanDerWaalsContact C-N 3.28Å; I991-H993 PolarHBondContact O-N 3.31Å; I991-K994 PolarHBondContact O-N 3.01Å; I991-I995 HydrophobicContact CG2-CD1 3.73Å; I991-I995 HydrophobicContact CG2-CG1 4.42Å; I991-I995 WeakPolarHBondContact O-CG1 3.35Å; I991-I995 PolarHBondContact O-N 2.96Å
992	G	97.5	Very high	96.1	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56.9	-41.1	176	0	0	0	0	0	112.4	L988 T989 I995 G996 L997 V998	L988-G992 PolarHBondContact O-N 3.11Å; T989-G992 PolarHBondContact O-N 3.14Å; G992-I995 PolarHBondContact O-N 3.3Å; G992-G996 PolarHBondContact O-N 2.9Å; G992-L997 PolarHBondContact O-N 2.94Å; G992-V998 PolarHBondContact O-N 2.78Å
993	H	98.1	Very high	96.4	Very high	51 Å²	51	50.6 Å²	50.6	24%	0.236	26%	0.256	C	S	.	.	H	α-helix	trans	-65.2	-46.3	174.7	179.9	-98.3	0	0	0	112.4	T989 I991 I995 G996 V998 E1000 Y1003	T989-H993 PolarHBondContact O-N 3.3Å; I991-H993 VanDerWaalsContact C-N 3.28Å; I991-H993 PolarHBondContact O-N 3.31Å; H993-I995 VanDerWaalsContact C-N 3.27Å; H993-I995 PolarHBondContact O-N 3.28Å; H993-G996 WeakPolarHBondContact O-CA 3.42Å; H993-G996 PolarHBondContact O-N 2.77Å; H993-V998 HydrophobicContact CB-CB 4.17Å; H993-V998 PolarHBondContact CD2-O 3.37Å; H993-E1000 IonicContact CD2-OE2 2.95Å; H993-E1000 IonicContact CE1-OE2 3.31Å; H993-E1000 IonicContact NE2-OE2 2.66Å; H993-E1000 PolarHBondContact NE2-OE2 3.47Å; H993-Y1003 HydrophobicContact CB-CD2 3.76Å; H993-Y1003 HydrophobicContact CB-CE2 4.22Å; H993-Y1003 HydrophobicContact CB-CG 3.96Å; H993-Y1003 AromaticContact CD2-CD1 3.73Å; H993-Y1003 AromaticContact CD2-CG 3.57Å; H993-Y1003 AromaticContact CE1-CD1 3.69Å; H993-Y1003 AromaticContact CE1-CE1 3.9Å; H993-Y1003 AromaticContact CG-CD1 3.82Å; H993-Y1003 AromaticContact CG-CD2 3.9Å; H993-Y1003 AromaticContact CG-CG 3.62Å; H993-Y1003 AromaticContact ND1-CD1 3.82Å; H993-Y1003 AromaticContact ND1-CE1 3.87Å; H993-Y1003 AromaticContact NE2-CD1 3.63Å; H993-Y1003 AromaticContact NE2-CG 3.98Å
994	K	96.3	Very high	96.5	Very high	145 Å²	145	54.2 Å²	54.2	63%	0.63	27%	0.272	S	S	*	.	H	α-helix	trans	-61.1	-33.4	176.8	-76.3	172.4	-173.7	167.2	0	113.4	E990 I991	E990-K994 HydrophobicContact CG-CD 4.48Å; E990-K994 VanDerWaalsContact O-CG 3.28Å; E990-K994 WeakPolarHBondContact O-CG 3.45Å; E990-K994 PolarHBondContact O-N 3.17Å; E990-K994 VanDerWaalsContact O-N 3.11Å; E990-K994 WeakPolarHBondContact OE1-CE 3.23Å; E990-K994 IonicContact OE1-NZ 2.89Å; E990-K994 PolarHBondContact OE1-NZ 2.9Å; I991-K994 PolarHBondContact O-N 3.01Å
995	I	95.2	Very high	96.3	Very high	43 Å²	43	57.1 Å²	57.1	22%	0.221	30%	0.296	C	S	.	.	H	α-helix	trans	-75.4	-31.6	175.6	-66.2	168	0	0	0	110.7	I929 F941 I991 G992 H993 L997	I929-I995 HydrophobicContact CG1-CG2 4.32Å; I929-I995 HydrophobicContact CG2-CD1 4.18Å; I929-I995 HydrophobicContact CG2-CG2 4.06Å; F941-I995 HydrophobicContact CB-CD1 4.34Å; F941-I995 HydrophobicContact CD1-CD1 3.84Å; F941-I995 HydrophobicContact CD2-CD1 4.25Å; F941-I995 HydrophobicContact CE1-CD1 4.21Å; F941-I995 HydrophobicContact CG-CD1 3.86Å; I991-I995 HydrophobicContact CG2-CD1 3.73Å; I991-I995 HydrophobicContact CG2-CG1 4.42Å; I991-I995 WeakPolarHBondContact O-CG1 3.35Å; I991-I995 PolarHBondContact O-N 2.96Å; G992-I995 PolarHBondContact O-N 3.3Å; H993-I995 VanDerWaalsContact C-N 3.27Å; H993-I995 PolarHBondContact O-N 3.28Å; I995-L997 HydrophobicContact CG2-CD1 4.45Å; I995-L997 HydrophobicContact CG2-CG 4.26Å
996	G	94.7	Very high	96.3	Very high	60 Å²	60	57.6 Å²	57.6	62%	0.619	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.9	18.9	178.4	0	0	0	0	0	114.7	G992 H993	G992-G996 PolarHBondContact O-N 2.9Å; H993-G996 WeakPolarHBondContact O-CA 3.42Å; H993-G996 PolarHBondContact O-N 2.77Å
997	L	95.8	Very high	96.3	Very high	73 Å²	73	58.3 Å²	58.3	38%	0.382	30%	0.302	S	S	.	.			trans	-98.5	-20.3	178.2	-66.6	-179.1	0	0	0	113.6	L605 L925 I929 G992 I995	L605-L997 VanDerWaalsContact O-CB 3.22Å; L605-L997 WeakPolarHBondContact O-CB 3.47Å; L925-L997 HydrophobicContact CD1-CD1 4.01Å; I929-L997 HydrophobicContact CD1-CD1 3.55Å; I929-L997 HydrophobicContact CG1-CD1 3.65Å; G992-L997 PolarHBondContact O-N 2.94Å; I995-L997 HydrophobicContact CG2-CD1 4.45Å; I995-L997 HydrophobicContact CG2-CG 4.26Å
998	V	96.6	Very high	96.3	Very high	12 Å²	12	60.1 Å²	60.1	7%	0.073	32%	0.317	C	S	.	.	S	Bend	trans	-100	121.4	172.7	177.1	0	0	0	0	108.3	T989 G992 H993 N1002	T989-V998 HydrophobicContact CG2-CG1 3.98Å; T989-V998 HydrophobicContact CG2-CG2 4.42Å; G992-V998 PolarHBondContact O-N 2.78Å; H993-V998 HydrophobicContact CB-CB 4.17Å; H993-V998 PolarHBondContact CD2-O 3.37Å; V998-N1002 HydrophobicContact CG1-CB 3.91Å
999	E	93.8	Very high	96.2	Very high	131 Å²	131	61.4 Å²	61.4	61%	0.612	32%	0.323	S	S	*	.			trans	-66.7	157.4	177.3	-57.5	-177.1	148.5	0	0	112.7	E1001 N1002 Y1003	E999-E1001 VanDerWaalsContact C-N 3.34Å; E999-E1001 PolarHBondContact O-N 2.88Å; E999-N1002 PolarHBondContact O-N 3.47Å; E999-Y1003 PolarHBondContact O-N 3.04Å
1000	E	96.9	Very high	96.1	Very high	100 Å²	100	63.9 Å²	63.9	47%	0.467	33%	0.332	S	S	.	.	H	α-helix	trans	-58.8	-42.8	-175.6	-173.2	59.4	-153.2	0	0	112.7	H993 N1002 Y1003 Q1004	H993-E1000 IonicContact CD2-OE2 2.95Å; H993-E1000 IonicContact CE1-OE2 3.31Å; H993-E1000 IonicContact NE2-OE2 2.66Å; H993-E1000 PolarHBondContact NE2-OE2 3.47Å; E1000-N1002 VanDerWaalsContact C-N 3.31Å; E1000-N1002 PolarHBondContact O-N 3.37Å; E1000-Y1003 PolarHBondContact O-N 3.02Å; E1000-Q1004 HydrophobicContact CG-CG 4.47Å; E1000-Q1004 WeakPolarHBondContact O-CG 3.5Å; E1000-Q1004 PolarHBondContact O-N 3.34Å; E1000-Q1004 PolarHBondContact OE1-NE2 2.89Å
1001	E	94.9	Very high	96.1	Very high	157 Å²	157	63.2 Å²	63.2	73%	0.734	34%	0.338	S	S	*	.	H	α-helix	trans	-59.9	-43.9	-179.6	-62.9	178.2	-175	0	0	111.7	E999 Q1004 A1005	E999-E1001 VanDerWaalsContact C-N 3.34Å; E999-E1001 PolarHBondContact O-N 2.88Å; E1001-Q1004 PolarHBondContact O-N 2.97Å; E1001-A1005 PolarHBondContact O-N 3.29Å
1002	N	93.9	Very high	96	Very high	44 Å²	44	64.4 Å²	64.4	24%	0.235	34%	0.342	C	S	.	.	H	α-helix	trans	-68.1	-38.2	178.5	-66	-47.1	0	0	0	111.8	Q769 V998 E999 E1000 A1005 Y1006	Q769-N1002 VanDerWaalsContact CD-OD1 3.31Å; Q769-N1002 PolarHBondContact NE2-ND2 2.93Å; Q769-N1002 PolarHBondContact NE2-OD1 2.78Å; Q769-N1002 VanDerWaalsContact NE2-OD1 3.08Å; V998-N1002 HydrophobicContact CG1-CB 3.91Å; E999-N1002 PolarHBondContact O-N 3.47Å; E1000-N1002 VanDerWaalsContact C-N 3.31Å; E1000-N1002 PolarHBondContact O-N 3.37Å; N1002-A1005 PolarHBondContact O-N 2.98Å; N1002-Y1006 PolarHBondContact O-N 3.47Å
1003	Y	97.9	Very high	95.9	Very high	34 Å²	34	64.6 Å²	64.6	13%	0.133	34%	0.343	C	S	.	.	H	α-helix	trans	-66.1	-40.1	174.9	-177.6	-118.5	0	0	0	112	T989 E990 H993 E999 E1000 Y1006 L1007	T989-Y1003 HydrophobicContact CG2-CD2 4.4Å; E990-Y1003 HydrophobicContact CB-CE2 4.13Å; E990-Y1003 HydrophobicContact CG-CE2 4.21Å; H993-Y1003 HydrophobicContact CB-CD2 3.76Å; H993-Y1003 HydrophobicContact CB-CE2 4.22Å; H993-Y1003 HydrophobicContact CB-CG 3.96Å; H993-Y1003 AromaticContact CD2-CD1 3.73Å; H993-Y1003 AromaticContact CD2-CG 3.57Å; H993-Y1003 AromaticContact CE1-CD1 3.69Å; H993-Y1003 AromaticContact CE1-CE1 3.9Å; H993-Y1003 AromaticContact CG-CD1 3.82Å; H993-Y1003 AromaticContact CG-CD2 3.9Å; H993-Y1003 AromaticContact CG-CG 3.62Å; H993-Y1003 AromaticContact ND1-CD1 3.82Å; H993-Y1003 AromaticContact ND1-CE1 3.87Å; H993-Y1003 AromaticContact NE2-CD1 3.63Å; H993-Y1003 AromaticContact NE2-CG 3.98Å; E999-Y1003 PolarHBondContact O-N 3.04Å; E1000-Y1003 PolarHBondContact O-N 3.02Å; Y1003-Y1006 AromaticContact CD2-CD1 3.74Å; Y1003-Y1006 HydrophobicContact CD2-CD1 3.74Å; Y1003-Y1006 HydrophobicContact CD2-CE1 4.29Å; Y1003-Y1006 AromaticContact CE2-CD1 3.75Å; Y1003-Y1006 HydrophobicContact CE2-CD1 3.75Å; Y1003-Y1006 AromaticContact CE2-CE1 3.85Å; Y1003-Y1006 HydrophobicContact CE2-CE1 3.85Å; Y1003-Y1006 WeakPolarHBondContact O-CB 3.42Å; Y1003-Y1006 PolarHBondContact O-N 2.99Å; Y1003-L1007 HydrophobicContact CD1-CD1 4.12Å; Y1003-L1007 HydrophobicContact CE1-CD1 3.69Å; Y1003-L1007 HydrophobicContact CE1-CG 4.18Å; Y1003-L1007 HydrophobicContact CE2-CD2 4.32Å; Y1003-L1007 HydrophobicContact CE2-CG 4.37Å; Y1003-L1007 WeakPolarHBondContact O-CG 3.31Å; Y1003-L1007 PolarHBondContact O-N 2.85Å
1004	Q	97.5	Very high	95.8	Very high	88 Å²	88	67.4 Å²	67.4	41%	0.411	36%	0.356	S	S	.	.	H	α-helix	trans	-64.9	-42.6	175.3	-68.2	-57.1	-34.8	0	0	112.1	E1000 E1001 Y1006 L1007 V1008	E1000-Q1004 HydrophobicContact CG-CG 4.47Å; E1000-Q1004 WeakPolarHBondContact O-CG 3.5Å; E1000-Q1004 PolarHBondContact O-N 3.34Å; E1000-Q1004 PolarHBondContact OE1-NE2 2.89Å; E1001-Q1004 PolarHBondContact O-N 2.97Å; Q1004-Y1006 VanDerWaalsContact C-N 3.27Å; Q1004-Y1006 PolarHBondContact O-N 3.16Å; Q1004-L1007 PolarHBondContact O-N 2.98Å; Q1004-L1007 VanDerWaalsContact O-N 3.12Å; Q1004-V1008 WeakPolarHBondContact O-CG2 3.41Å; Q1004-V1008 PolarHBondContact O-N 3.36Å
1005	A	93.9	Very high	95.8	Very high	62 Å²	62	63.5 Å²	63.5	51%	0.512	35%	0.351	S	S	.	.	H	α-helix	trans	-58.8	-41.4	174.1	0	0	0	0	0	111.8	E1001 N1002 V1008 K1009	E1001-A1005 PolarHBondContact O-N 3.29Å; N1002-A1005 PolarHBondContact O-N 2.98Å; A1005-V1008 PolarHBondContact O-N 3.44Å; A1005-K1009 PolarHBondContact O-N 2.82Å; A1005-K1009 VanDerWaalsContact O-N 3.08Å
1006	Y	95.9	Very high	95.9	Very high	14 Å²	14	61.4 Å²	61.4	6%	0.055	34%	0.341	C	S	.	.	H	α-helix	trans	-60.9	-44.6	172.5	157.1	-103	0	0	0	112.8	D985 L986 T989 E990 N1002 Y1003 Q1004 V1008 K1009 K1010	D985-Y1006 HydrophobicContact CB-CD2 4.4Å; D985-Y1006 WeakPolarHBondContact O-CE2 3.34Å; L986-Y1006 HydrophobicContact CD2-CE2 3.92Å; T989-Y1006 HydrophobicContact CG2-CD1 3.97Å; T989-Y1006 HydrophobicContact CG2-CD2 4.27Å; T989-Y1006 HydrophobicContact CG2-CG 3.75Å; E990-Y1006 HydrophobicContact CB-CE1 4.41Å; N1002-Y1006 PolarHBondContact O-N 3.47Å; Y1003-Y1006 AromaticContact CD2-CD1 3.74Å; Y1003-Y1006 HydrophobicContact CD2-CD1 3.74Å; Y1003-Y1006 HydrophobicContact CD2-CE1 4.29Å; Y1003-Y1006 AromaticContact CE2-CD1 3.75Å; Y1003-Y1006 HydrophobicContact CE2-CD1 3.75Å; Y1003-Y1006 AromaticContact CE2-CE1 3.85Å; Y1003-Y1006 HydrophobicContact CE2-CE1 3.85Å; Y1003-Y1006 WeakPolarHBondContact O-CB 3.42Å; Y1003-Y1006 PolarHBondContact O-N 2.99Å; Q1004-Y1006 VanDerWaalsContact C-N 3.27Å; Q1004-Y1006 PolarHBondContact O-N 3.16Å; Y1006-V1008 VanDerWaalsContact C-N 3.35Å; Y1006-V1008 PolarHBondContact O-N 3.17Å; Y1006-K1009 PolarHBondContact O-N 3.48Å; Y1006-K1010 WeakPolarHBondContact O-CB 3.42Å; Y1006-K1010 PolarHBondContact O-N 3.13Å
1007	L	97.5	Very high	95.9	Very high	55 Å²	55	59.7 Å²	59.7	29%	0.288	32%	0.317	S	S	.	.	H	α-helix	trans	-62.7	-40.6	178.4	-72.2	178.9	0	0	0	112.2	Y1003 Q1004 K1010 A1011	Y1003-L1007 HydrophobicContact CD1-CD1 4.12Å; Y1003-L1007 HydrophobicContact CE1-CD1 3.69Å; Y1003-L1007 HydrophobicContact CE1-CG 4.18Å; Y1003-L1007 HydrophobicContact CE2-CD2 4.32Å; Y1003-L1007 HydrophobicContact CE2-CG 4.37Å; Y1003-L1007 WeakPolarHBondContact O-CG 3.31Å; Y1003-L1007 PolarHBondContact O-N 2.85Å; Q1004-L1007 PolarHBondContact O-N 2.98Å; Q1004-L1007 VanDerWaalsContact O-N 3.12Å; L1007-K1010 PolarHBondContact O-N 3.13Å; L1007-A1011 WeakPolarHBondContact O-CB 3.49Å; L1007-A1011 PolarHBondContact O-N 2.79Å
1008	V	95.5	Very high	95.9	Very high	77 Å²	77	58.9 Å²	58.9	47%	0.467	32%	0.32	S	S	.	.	H	α-helix	trans	-60	-51.4	174.7	171.7	0	0	0	0	110.3	Q1004 A1005 Y1006 K1010 A1011 H1012	Q1004-V1008 WeakPolarHBondContact O-CG2 3.41Å; Q1004-V1008 PolarHBondContact O-N 3.36Å; A1005-V1008 PolarHBondContact O-N 3.44Å; Y1006-V1008 VanDerWaalsContact C-N 3.35Å; Y1006-V1008 PolarHBondContact O-N 3.17Å; V1008-K1010 VanDerWaalsContact C-N 3.32Å; V1008-K1010 PolarHBondContact O-N 3.1Å; V1008-A1011 PolarHBondContact O-N 2.95Å; V1008-A1011 VanDerWaalsContact O-N 3.16Å; V1008-H1012 VanDerWaalsContact CG1-CE1 3.42Å; V1008-H1012 WeakPolarHBondContact CG1-CE1 3.33Å; V1008-H1012 PolarHBondContact O-N 3.19Å
1009	K	95	Very high	95.9	Very high	28 Å²	28	60.9 Å²	60.9	12%	0.122	33%	0.327	C	S	.	.	H	α-helix	trans	-55.3	-47.3	177.1	-179.4	-171.8	174.9	-172.7	0	112	D985 A1005 Y1006 H1012 I1013 E1077	D985-K1009 IonicContact OD1-NZ 3.82Å; D985-K1009 WeakPolarHBondContact OD2-CE 3.35Å; D985-K1009 IonicContact OD2-NZ 2.8Å; D985-K1009 PolarHBondContact OD2-NZ 3.02Å; A1005-K1009 PolarHBondContact O-N 2.82Å; A1005-K1009 VanDerWaalsContact O-N 3.08Å; Y1006-K1009 PolarHBondContact O-N 3.48Å; K1009-H1012 PolarHBondContact O-N 2.98Å; K1009-I1013 HydrophobicContact CG-CD1 4.01Å; K1009-I1013 WeakPolarHBondContact O-CD1 3.44Å; K1009-I1013 WeakPolarHBondContact O-CG1 3.24Å; K1009-I1013 PolarHBondContact O-N 2.9Å; K1009-I1013 VanDerWaalsContact O-N 3.09Å; K1009-E1077 WeakPolarHBondContact CA-OE1 3.5Å; K1009-E1077 HydrophobicContact CG-CG 3.74Å
1010	K	96.4	Very high	96	Very high	62 Å²	62	54.6 Å²	54.6	27%	0.27	30%	0.298	S	S	.	.	H	α-helix	trans	-60.7	-46.5	178.3	-179.6	178.6	174.7	-178.7	0	111.3	L986 Y1006 L1007 V1008 H1012 I1013 E1014	L986-K1010 HydrophobicContact CD2-CB 4.39Å; Y1006-K1010 WeakPolarHBondContact O-CB 3.42Å; Y1006-K1010 PolarHBondContact O-N 3.13Å; L1007-K1010 PolarHBondContact O-N 3.13Å; V1008-K1010 VanDerWaalsContact C-N 3.32Å; V1008-K1010 PolarHBondContact O-N 3.1Å; K1010-H1012 VanDerWaalsContact C-N 3.34Å; K1010-H1012 PolarHBondContact O-N 3.23Å; K1010-I1013 PolarHBondContact O-N 3.38Å; K1010-E1014 WeakPolarHBondContact CE-OE1 3.4Å; K1010-E1014 WeakPolarHBondContact O-CG 3.21Å; K1010-E1014 PolarHBondContact O-N 3.42Å
1011	A	96.8	Very high	95.9	Very high	50 Å²	50	54 Å²	54	41%	0.413	30%	0.295	S	S	.	.	H	α-helix	trans	-62.1	-40.3	178.6	0	0	0	0	0	112.1	L1007 V1008 E1014 A1015	L1007-A1011 WeakPolarHBondContact O-CB 3.49Å; L1007-A1011 PolarHBondContact O-N 2.79Å; V1008-A1011 PolarHBondContact O-N 2.95Å; V1008-A1011 VanDerWaalsContact O-N 3.16Å; A1011-E1014 PolarHBondContact O-N 2.69Å; A1011-A1015 WeakPolarHBondContact O-CB 3.48Å; A1011-A1015 PolarHBondContact O-N 2.83Å
1012	H	96.3	Very high	95.9	Very high	67 Å²	67	50.6 Å²	50.6	31%	0.31	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-46.3	175.4	-69.6	174	0	0	0	112.3	V1008 K1009 K1010 A1015 E1016 L1073 E1077	V1008-H1012 VanDerWaalsContact CG1-CE1 3.42Å; V1008-H1012 WeakPolarHBondContact CG1-CE1 3.33Å; V1008-H1012 PolarHBondContact O-N 3.19Å; K1009-H1012 PolarHBondContact O-N 2.98Å; K1010-H1012 VanDerWaalsContact C-N 3.34Å; K1010-H1012 PolarHBondContact O-N 3.23Å; H1012-A1015 PolarHBondContact O-N 3.44Å; H1012-E1016 WeakPolarHBondContact O-CB 3.43Å; H1012-E1016 PolarHBondContact O-N 3.25Å; H1012-L1073 HydrophobicContact CB-CD2 3.96Å; H1012-E1077 IonicContact CG-OE1 2.84Å; H1012-E1077 IonicContact ND1-OE1 3.18Å; H1012-E1077 PolarHBondContact ND1-OE1 3.38Å; H1012-E1077 IonicContact ND1-OE2 3.11Å
1013	I	95.8	Very high	96	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-61.4	-47.6	178	-67	161.8	0	0	0	110.5	L986 K1009 K1010 E1016 I1017 E1077 Q1080 V1081	L986-I1013 HydrophobicContact CD1-CD1 4.45Å; L986-I1013 HydrophobicContact CD2-CD1 4.47Å; K1009-I1013 HydrophobicContact CG-CD1 4.01Å; K1009-I1013 WeakPolarHBondContact O-CD1 3.44Å; K1009-I1013 WeakPolarHBondContact O-CG1 3.24Å; K1009-I1013 PolarHBondContact O-N 2.9Å; K1009-I1013 VanDerWaalsContact O-N 3.09Å; K1010-I1013 PolarHBondContact O-N 3.38Å; I1013-E1016 PolarHBondContact O-N 3.28Å; I1013-I1017 HydrophobicContact CG2-CD1 3.86Å; I1013-I1017 VanDerWaalsContact O-CG1 3.3Å; I1013-I1017 WeakPolarHBondContact O-CG1 3.45Å; I1013-I1017 PolarHBondContact O-N 3.39Å; I1013-E1077 HydrophobicContact CD1-CG 4.37Å; I1013-E1077 HydrophobicContact CG1-CB 4.03Å; I1013-E1077 HydrophobicContact CG1-CG 4.08Å; I1013-Q1080 HydrophobicContact CD1-CB 3.61Å; I1013-Q1080 HydrophobicContact CD1-CG 3.75Å; I1013-Q1080 HydrophobicContact CG1-CB 4.01Å; I1013-Q1080 HydrophobicContact CG2-CB 4.24Å; I1013-V1081 HydrophobicContact CB-CG2 4.4Å; I1013-V1081 HydrophobicContact CG1-CG2 4.49Å; I1013-V1081 HydrophobicContact CG2-CG2 4.03Å
1014	E	96.2	Very high	95.8	Very high	110 Å²	110	56.9 Å²	56.9	51%	0.514	31%	0.311	S	S	.	.	H	α-helix	trans	-64.4	-43.3	-179.9	-72	176.8	179.8	0	0	111.9	K1010 A1011 E1016 I1017 A1018	K1010-E1014 WeakPolarHBondContact CE-OE1 3.4Å; K1010-E1014 WeakPolarHBondContact O-CG 3.21Å; K1010-E1014 PolarHBondContact O-N 3.42Å; A1011-E1014 PolarHBondContact O-N 2.69Å; E1014-E1016 VanDerWaalsContact C-N 3.35Å; E1014-E1016 PolarHBondContact O-N 2.92Å; E1014-I1017 PolarHBondContact O-N 3.41Å; E1014-A1018 WeakPolarHBondContact O-CB 3.34Å; E1014-A1018 PolarHBondContact O-N 2.88Å
1015	A	95.8	Very high	95.6	Very high	63 Å²	63	53 Å²	53	52%	0.521	29%	0.293	S	S	.	.	H	α-helix	trans	-62.8	-41.2	176.5	0	0	0	0	0	111.8	A1011 H1012 A1018 R1019	A1011-A1015 WeakPolarHBondContact O-CB 3.48Å; A1011-A1015 PolarHBondContact O-N 2.83Å; H1012-A1015 PolarHBondContact O-N 3.44Å; A1015-A1018 PolarHBondContact O-N 3.06Å; A1015-R1019 WeakPolarHBondContact O-CB 3.5Å; A1015-R1019 PolarHBondContact O-N 3.31Å
1016	E	96.7	Very high	95.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.8	-42.6	178.8	-177.8	58.2	-153.8	0	0	112	H1012 I1013 E1014 A1018 R1019 L1020 Y1060 N1070 L1073 V1081	H1012-E1016 WeakPolarHBondContact O-CB 3.43Å; H1012-E1016 PolarHBondContact O-N 3.25Å; I1013-E1016 PolarHBondContact O-N 3.28Å; E1014-E1016 VanDerWaalsContact C-N 3.35Å; E1014-E1016 PolarHBondContact O-N 2.92Å; E1016-A1018 VanDerWaalsContact C-N 3.29Å; E1016-A1018 PolarHBondContact O-N 2.86Å; E1016-R1019 VanDerWaalsContact CD-NE 3.28Å; E1016-R1019 WeakPolarHBondContact O-CB 3.46Å; E1016-R1019 PolarHBondContact O-N 3.13Å; E1016-R1019 VanDerWaalsContact O-N 3.15Å; E1016-R1019 IonicContact OE1-CZ 3.59Å; E1016-R1019 VanDerWaalsContact OE1-CZ 3.23Å; E1016-R1019 IonicContact OE1-NE 2.77Å; E1016-R1019 PolarHBondContact OE1-NE 2.67Å; E1016-R1019 IonicContact OE1-NH2 3.62Å; E1016-R1019 PolarHBondContact OE1-NH2 3.48Å; E1016-R1019 IonicContact OE2-CZ 3.31Å; E1016-R1019 IonicContact OE2-NE 3.89Å; E1016-R1019 PolarHBondContact OE2-NE 2.95Å; E1016-R1019 IonicContact OE2-NH2 2.73Å; E1016-L1020 WeakPolarHBondContact O-CG 3.47Å; E1016-L1020 PolarHBondContact O-N 3.27Å; E1016-L1020 WeakPolarHBondContact OE1-CD2 3.34Å; E1016-L1020 WeakPolarHBondContact OE1-CG 3.43Å; E1016-Y1060 HydrophobicContact CG-CE2 4.13Å; E1016-Y1060 PolarHBondContact OE1-OH 3.43Å; E1016-N1070 PolarHBondContact OE2-ND2 3.25Å; E1016-L1073 HydrophobicContact CB-CD1 3.9Å; E1016-L1073 HydrophobicContact CB-CD2 4.25Å; E1016-L1073 HydrophobicContact CG-CD1 3.49Å; E1016-L1073 VanDerWaalsContact CG-CD1 3.49Å; E1016-V1081 HydrophobicContact CB-CG2 3.9Å; E1016-V1081 HydrophobicContact CG-CB 4.48Å; E1016-V1081 HydrophobicContact CG-CG1 3.92Å; E1016-V1081 HydrophobicContact CG-CG2 3.87Å
1017	I	95.5	Very high	95.4	Very high	24 Å²	24	58.9 Å²	58.9	12%	0.123	31%	0.312	C	S	.	.	H	α-helix	trans	-58.7	-45.1	174.4	-69.7	168.9	0	0	0	110.1	I1013 E1014 R1019 L1020 Q1021 V1081 Q1084 I1085	I1013-I1017 HydrophobicContact CG2-CD1 3.86Å; I1013-I1017 VanDerWaalsContact O-CG1 3.3Å; I1013-I1017 WeakPolarHBondContact O-CG1 3.45Å; I1013-I1017 PolarHBondContact O-N 3.39Å; E1014-I1017 PolarHBondContact O-N 3.41Å; I1017-R1019 VanDerWaalsContact C-N 3.34Å; I1017-R1019 PolarHBondContact O-N 3.14Å; I1017-L1020 PolarHBondContact O-N 3.34Å; I1017-Q1021 VanDerWaalsContact O-CG 3.28Å; I1017-Q1021 WeakPolarHBondContact O-CG 3.49Å; I1017-Q1021 PolarHBondContact O-N 2.92Å; I1017-V1081 HydrophobicContact CG1-CB 4.49Å; I1017-V1081 HydrophobicContact CG1-CG1 4.1Å; I1017-V1081 HydrophobicContact CG1-CG2 4.29Å; I1017-Q1084 HydrophobicContact CD1-CB 3.96Å; I1017-Q1084 VanDerWaalsContact CD1-OE1 3.25Å; I1017-I1085 HydrophobicContact CG1-CD1 4.3Å; I1017-I1085 HydrophobicContact CG1-CG1 4.31Å
1018	A	95.9	Very high	95.1	Very high	55 Å²	55	59.6 Å²	59.6	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-62.4	-40.4	176.1	0	0	0	0	0	112.1	E1014 A1015 E1016 Q1021 S1022	E1014-A1018 WeakPolarHBondContact O-CB 3.34Å; E1014-A1018 PolarHBondContact O-N 2.88Å; A1015-A1018 PolarHBondContact O-N 3.06Å; E1016-A1018 VanDerWaalsContact C-N 3.29Å; E1016-A1018 PolarHBondContact O-N 2.86Å; A1018-Q1021 PolarHBondContact O-N 3.08Å; A1018-S1022 PolarHBondContact O-N 3.04Å
1019	R	95.4	Very high	94.9	Very high	54 Å²	54	59.8 Å²	59.8	20%	0.204	33%	0.328	C	S	.	.	H	α-helix	trans	-59.3	-49.8	175.1	-168.1	-172.3	74.9	99.1	-1.7	111.1	A1015 E1016 I1017 Q1021 S1022 I1023 P1068	A1015-R1019 WeakPolarHBondContact O-CB 3.5Å; A1015-R1019 PolarHBondContact O-N 3.31Å; E1016-R1019 VanDerWaalsContact CD-NE 3.28Å; E1016-R1019 WeakPolarHBondContact O-CB 3.46Å; E1016-R1019 PolarHBondContact O-N 3.13Å; E1016-R1019 VanDerWaalsContact O-N 3.15Å; E1016-R1019 IonicContact OE1-CZ 3.59Å; E1016-R1019 VanDerWaalsContact OE1-CZ 3.23Å; E1016-R1019 IonicContact OE1-NE 2.77Å; E1016-R1019 PolarHBondContact OE1-NE 2.67Å; E1016-R1019 IonicContact OE1-NH2 3.62Å; E1016-R1019 PolarHBondContact OE1-NH2 3.48Å; E1016-R1019 IonicContact OE2-CZ 3.31Å; E1016-R1019 IonicContact OE2-NE 3.89Å; E1016-R1019 PolarHBondContact OE2-NE 2.95Å; E1016-R1019 IonicContact OE2-NH2 2.73Å; I1017-R1019 VanDerWaalsContact C-N 3.34Å; I1017-R1019 PolarHBondContact O-N 3.14Å; R1019-Q1021 PolarHBondContact O-N 3.09Å; R1019-S1022 PolarHBondContact O-N 3.44Å; R1019-S1022 PolarHBondContact O-OG 3.28Å; R1019-I1023 HydrophobicContact CG-CD1 3.97Å; R1019-I1023 PolarHBondContact O-N 3.34Å; R1019-P1068 PolarHBondContact NH1-O 2.95Å
1020	L	96.1	Very high	94.8	Very high	0 Å²	0	64 Å²	64	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-65	-26.2	178.8	-65.7	-174.9	0	0	0	113.4	E1016 I1017 S1022 A1049 S1050 L1053 Y1060 L1063 I1067 V1081 I1085	E1016-L1020 WeakPolarHBondContact O-CG 3.47Å; E1016-L1020 PolarHBondContact O-N 3.27Å; E1016-L1020 WeakPolarHBondContact OE1-CD2 3.34Å; E1016-L1020 WeakPolarHBondContact OE1-CG 3.43Å; I1017-L1020 PolarHBondContact O-N 3.34Å; L1020-S1022 VanDerWaalsContact C-N 3.27Å; L1020-A1049 HydrophobicContact CB-CB 4.4Å; L1020-A1049 HydrophobicContact CD2-CB 4.03Å; L1020-A1049 WeakPolarHBondContact O-CB 3.38Å; L1020-A1049 PolarHBondContact O-N 2.97Å; L1020-S1050 PolarHBondContact O-N 2.9Å; L1020-S1050 VanDerWaalsContact O-N 3.08Å; L1020-L1053 HydrophobicContact CD1-CD2 4.08Å; L1020-Y1060 HydrophobicContact CD1-CD2 4.22Å; L1020-Y1060 HydrophobicContact CD1-CE2 3.97Å; L1020-L1063 HydrophobicContact CD1-CD2 4.18Å; L1020-L1063 HydrophobicContact CD2-CD2 3.85Å; L1020-I1067 HydrophobicContact CD2-CD1 3.35Å; L1020-V1081 HydrophobicContact CD1-CG1 3.81Å; L1020-I1085 HydrophobicContact CB-CD1 4.24Å; L1020-I1085 HydrophobicContact CD1-CD1 3.5Å; L1020-I1085 VanDerWaalsContact CD1-CD1 3.5Å; L1020-I1085 HydrophobicContact CG-CD1 4.49Å
1021	Q	95.8	Very high	94.6	Very high	87 Å²	87	61.2 Å²	61.2	41%	0.407	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-8.8	172.3	-71.6	173.6	-10.8	0	0	113.6	I1017 A1018 R1019 L1048	I1017-Q1021 VanDerWaalsContact O-CG 3.28Å; I1017-Q1021 WeakPolarHBondContact O-CG 3.49Å; I1017-Q1021 PolarHBondContact O-N 2.92Å; A1018-Q1021 PolarHBondContact O-N 3.08Å; R1019-Q1021 PolarHBondContact O-N 3.09Å; Q1021-L1048 VanDerWaalsContact O-CD2 3.28Å; Q1021-L1048 WeakPolarHBondContact O-CD2 3.47Å
1022	S	94.7	Very high	94.4	Very high	86 Å²	86	60 Å²	60	60%	0.601	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-24.9	178.2	76	0	0	0	0	113.8	A1018 R1019 L1020	A1018-S1022 PolarHBondContact O-N 3.04Å; R1019-S1022 PolarHBondContact O-N 3.44Å; R1019-S1022 PolarHBondContact O-OG 3.28Å; L1020-S1022 VanDerWaalsContact C-N 3.27Å
1023	I	94.5	Very high	94.2	Very high	37 Å²	37	59.8 Å²	59.8	19%	0.19	33%	0.333	C	S	.	.			trans	-86	131.2	-176.3	-62.4	169.7	0	0	0	110.3	R1019 L1048 A1049 I1067	R1019-I1023 HydrophobicContact CG-CD1 3.97Å; R1019-I1023 PolarHBondContact O-N 3.34Å; I1023-L1048 CarbonylContact O-C 3.53Å; I1023-L1048 WeakPolarHBondContact O-CA 3.45Å; I1023-A1049 HydrophobicContact CB-CB 4.2Å; I1023-A1049 HydrophobicContact CG2-CB 4.4Å; I1023-A1049 PolarHBondContact O-N 3.43Å; I1023-I1067 HydrophobicContact CD1-CB 4.48Å; I1023-I1067 HydrophobicContact CG2-CB 4.18Å; I1023-I1067 HydrophobicContact CG2-CG2 3.56Å
1024	R	95.1	Very high	94.1	Very high	173 Å²	173	61 Å²	61	65%	0.653	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	126	175.9	-66.8	-174.9	87.8	162.7	6	111.7	G1046 V1047 L1048	R1024-G1046 PolarHBondContact NH2-O 3.39Å; R1024-G1046 VanDerWaalsContact NH2-O 3.14Å; R1024-V1047 CarbonylContact C-O 3.59Å; R1024-V1047 WeakPolarHBondContact CA-O 3.48Å; R1024-L1048 HydrophobicContact CG-CD2 3.9Å
1025	I	93.7	Very high	94	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.1	173.5	-60.1	177.8	0	0	0	108.4	V1031 L1043 G1046 V1047 A1049 F1052 L1063 F1066 I1067	I1025-V1031 HydrophobicContact CG2-CG1 4.19Å; I1025-V1031 HydrophobicContact CG2-CG2 3.82Å; I1025-L1043 HydrophobicContact CG2-CD1 4.35Å; I1025-G1046 CarbonylContact O-C 3.47Å; I1025-G1046 WeakPolarHBondContact O-CA 3.12Å; I1025-V1047 PolarHBondContact N-O 2.95Å; I1025-V1047 PolarHBondContact O-N 2.87Å; I1025-A1049 HydrophobicContact CD1-CB 4.09Å; I1025-A1049 HydrophobicContact CG1-CB 4.35Å; I1025-F1052 HydrophobicContact CD1-CB 3.97Å; I1025-F1052 HydrophobicContact CD1-CD1 3.97Å; I1025-F1052 HydrophobicContact CD1-CD2 4.47Å; I1025-F1052 HydrophobicContact CD1-CG 3.9Å; I1025-L1063 HydrophobicContact CD1-CD1 3.47Å; I1025-L1063 VanDerWaalsContact CD1-CD1 3.47Å; I1025-F1066 HydrophobicContact CD1-CB 4.21Å; I1025-F1066 HydrophobicContact CG2-CB 4.32Å; I1025-I1067 HydrophobicContact CD1-CG2 3.92Å; I1025-I1067 HydrophobicContact CG1-CG2 3.85Å
1026	K	92.6	Very high	93.8	Very high	149 Å²	149	59.9 Å²	59.9	65%	0.648	32%	0.315	S	S	*	.			trans	-89.5	152.1	178.3	-66.8	-178	-177.6	177.2	0	110.9	T1028	K1026-T1028 HydrophobicContact CB-CG2 4.38Å; K1026-T1028 PolarHBondContact O-N 3.12Å
1027	P	91.6	Very high	93.6	Very high	51 Å²	51	63.8 Å²	63.8	33%	0.331	35%	0.348	S	S	.	.			trans	-71.5	64.6	176.8	30.9	-36.9	0	0	0	112.2	L1043	P1027-L1043 HydrophobicContact CB-CB 3.88Å
1028	T	92.7	Very high	93.4	Very high	70 Å²	70	66.3 Å²	66.3	43%	0.429	36%	0.358	S	S	.	.			trans	-74.9	160.6	175.4	64	0	0	0	0	110.7	K1026 N1030 V1031 Q1032	K1026-T1028 HydrophobicContact CB-CG2 4.38Å; K1026-T1028 PolarHBondContact O-N 3.12Å; T1028-N1030 PolarHBondContact O-N 2.89Å; T1028-V1031 PolarHBondContact O-N 2.76Å; T1028-V1031 VanDerWaalsContact O-N 3.12Å; T1028-V1031 WeakPolarHBondContact OG1-CG2 3.48Å; T1028-V1031 PolarHBondContact OG1-N 3.3Å; T1028-Q1032 WeakPolarHBondContact O-CG 3.35Å; T1028-Q1032 PolarHBondContact O-N 3.31Å
1029	A	90.8	Very high	93.1	Very high	80 Å²	80	71.2 Å²	71.2	66%	0.661	38%	0.376	S	S	*	.	H	α-helix	trans	-53.5	-39.6	177.8	0	0	0	0	0	112.2	Q1032 S1033	A1029-Q1032 PolarHBondContact O-N 2.96Å; A1029-S1033 WeakPolarHBondContact O-CB 2.98Å; A1029-S1033 PolarHBondContact O-N 3.22Å; A1029-S1033 PolarHBondContact O-OG 3.03Å
1030	N	91.9	Very high	92.8	Very high	117 Å²	117	69.3 Å²	69.3	63%	0.626	37%	0.371	S	S	*	.	H	α-helix	trans	-64.2	-49	177.7	-67.5	4.6	0	0	0	111.6	T1028 Q1032 S1033 F1034	T1028-N1030 PolarHBondContact O-N 2.89Å; N1030-Q1032 PolarHBondContact O-N 3.21Å; N1030-S1033 WeakPolarHBondContact CA-OG 3.27Å; N1030-S1033 PolarHBondContact O-N 3.42Å; N1030-S1033 PolarHBondContact O-OG 3.44Å; N1030-F1034 PolarHBondContact O-N 2.91Å
1031	V	92	Very high	92.5	Very high	3 Å²	3	72.8 Å²	72.8	2%	0.018	40%	0.4	C	S	.	.	H	α-helix	trans	-60	-45.8	177.9	174.9	0	0	0	0	110.8	I1025 T1028 S1033 F1034 L1035 L1043 F1052 F1066	I1025-V1031 HydrophobicContact CG2-CG1 4.19Å; I1025-V1031 HydrophobicContact CG2-CG2 3.82Å; T1028-V1031 PolarHBondContact O-N 2.76Å; T1028-V1031 VanDerWaalsContact O-N 3.12Å; T1028-V1031 WeakPolarHBondContact OG1-CG2 3.48Å; T1028-V1031 PolarHBondContact OG1-N 3.3Å; V1031-S1033 PolarHBondContact O-N 3Å; V1031-F1034 PolarHBondContact O-N 3.34Å; V1031-L1035 HydrophobicContact CG1-CD1 4.14Å; V1031-L1035 HydrophobicContact CG1-CG 4.47Å; V1031-L1035 VanDerWaalsContact O-CG 3.32Å; V1031-L1035 WeakPolarHBondContact O-CG 3.42Å; V1031-L1035 PolarHBondContact O-N 3.48Å; V1031-L1043 HydrophobicContact CG1-CD1 3.68Å; V1031-L1043 HydrophobicContact CG1-CG 4.44Å; V1031-F1052 HydrophobicContact CG1-CE2 3.92Å; V1031-F1052 HydrophobicContact CG1-CZ 4.15Å; V1031-F1066 HydrophobicContact CB-CD1 4.5Å; V1031-F1066 HydrophobicContact CB-CE1 4.4Å; V1031-F1066 HydrophobicContact CG2-CB 4.42Å; V1031-F1066 HydrophobicContact CG2-CD1 3.4Å; V1031-F1066 HydrophobicContact CG2-CE1 3.73Å; V1031-F1066 HydrophobicContact CG2-CG 3.88Å; V1031-F1066 HydrophobicContact CG2-CZ 4.45Å
1032	Q	92.9	Very high	92.3	Very high	24 Å²	24	72.8 Å²	72.8	11%	0.112	40%	0.4	C	S	.	.	H	α-helix	trans	-64.2	-40.9	178.5	-59.6	-65.7	27.1	0	0	112	T1028 A1029 N1030 F1034 L1035 R1036 E1042 L1043	T1028-Q1032 WeakPolarHBondContact O-CG 3.35Å; T1028-Q1032 PolarHBondContact O-N 3.31Å; A1029-Q1032 PolarHBondContact O-N 2.96Å; N1030-Q1032 PolarHBondContact O-N 3.21Å; Q1032-F1034 PolarHBondContact O-N 2.98Å; Q1032-L1035 PolarHBondContact O-N 3.2Å; Q1032-R1036 WeakPolarHBondContact O-CG 3.48Å; Q1032-R1036 PolarHBondContact O-N 3.41Å; Q1032-E1042 VanDerWaalsContact OE1-CA 3.28Å; Q1032-L1043 PolarHBondContact NE2-O 2.72Å
1033	S	92.2	Very high	92.1	Very high	64 Å²	64	69.1 Å²	69.1	45%	0.448	37%	0.374	S	S	.	.	H	α-helix	trans	-63.2	-40.8	177.6	70.4	0	0	0	0	112.4	A1029 N1030 V1031 R1036 A1037	A1029-S1033 WeakPolarHBondContact O-CB 2.98Å; A1029-S1033 PolarHBondContact O-N 3.22Å; A1029-S1033 PolarHBondContact O-OG 3.03Å; N1030-S1033 WeakPolarHBondContact CA-OG 3.27Å; N1030-S1033 PolarHBondContact O-N 3.42Å; N1030-S1033 PolarHBondContact O-OG 3.44Å; V1031-S1033 PolarHBondContact O-N 3Å; S1033-R1036 PolarHBondContact O-N 3.47Å; S1033-A1037 PolarHBondContact O-N 3.29Å
1034	F	94.1	Very high	91.7	Very high	27 Å²	27	76.5 Å²	76.5	12%	0.118	40%	0.404	C	S	.	.	H	α-helix	trans	-63.5	-45.6	175.1	173.9	-95.3	0	0	0	111.6	N1030 V1031 Q1032 R1036 A1037 K1038 E1062 F1066	N1030-F1034 PolarHBondContact O-N 2.91Å; V1031-F1034 PolarHBondContact O-N 3.34Å; Q1032-F1034 PolarHBondContact O-N 2.98Å; F1034-R1036 PolarHBondContact O-N 3.03Å; F1034-A1037 PolarHBondContact O-N 3.05Å; F1034-K1038 HydrophobicContact CE1-CG 4.12Å; F1034-K1038 HydrophobicContact CE2-CG 4.29Å; F1034-K1038 HydrophobicContact CZ-CG 3.95Å; F1034-K1038 PolarHBondContact O-N 3.45Å; F1034-E1062 HydrophobicContact CE2-CB 4.37Å; F1034-E1062 HydrophobicContact CE2-CG 4.45Å; F1034-E1062 HydrophobicContact CZ-CB 3.85Å; F1034-E1062 HydrophobicContact CZ-CG 4.2Å; F1034-F1066 HydrophobicContact CB-CE2 4.49Å; F1034-F1066 HydrophobicContact CB-CZ 3.67Å; F1034-F1066 AromaticContact CD1-CE2 3.78Å; F1034-F1066 HydrophobicContact CD1-CE2 3.78Å; F1034-F1066 AromaticContact CD1-CZ 3.83Å; F1034-F1066 HydrophobicContact CD1-CZ 3.83Å; F1034-F1066 HydrophobicContact CD2-CZ 4.17Å; F1034-F1066 HydrophobicContact CE1-CE2 4.13Å; F1034-F1066 HydrophobicContact CG-CE2 4.02Å; F1034-F1066 AromaticContact CG-CZ 3.62Å; F1034-F1066 HydrophobicContact CG-CZ 3.62Å
1035	L	93.4	Very high	91.5	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-62.6	-42.1	177.8	-69.4	177.4	0	0	0	112.3	V1031 Q1032 A1037 K1038 N1039 S1040 L1043 F1052 R1055 I1058	V1031-L1035 HydrophobicContact CG1-CD1 4.14Å; V1031-L1035 HydrophobicContact CG1-CG 4.47Å; V1031-L1035 VanDerWaalsContact O-CG 3.32Å; V1031-L1035 WeakPolarHBondContact O-CG 3.42Å; V1031-L1035 PolarHBondContact O-N 3.48Å; Q1032-L1035 PolarHBondContact O-N 3.2Å; L1035-A1037 VanDerWaalsContact C-N 3.34Å; L1035-A1037 PolarHBondContact O-N 3.31Å; L1035-K1038 CarbonylContact O-C 3.55Å; L1035-K1038 PolarHBondContact O-N 2.88Å; L1035-N1039 PolarHBondContact O-N 3.16Å; L1035-N1039 VanDerWaalsContact O-N 3.16Å; L1035-S1040 PolarHBondContact O-N 3.28Å; L1035-L1043 HydrophobicContact CD1-CG 3.84Å; L1035-F1052 HydrophobicContact CD1-CE2 4.08Å; L1035-F1052 HydrophobicContact CD2-CE2 3.84Å; L1035-F1052 HydrophobicContact CD2-CZ 3.77Å; L1035-F1052 HydrophobicContact CG-CE2 4.24Å; L1035-F1052 HydrophobicContact CG-CZ 4.31Å; L1035-R1055 VanDerWaalsContact CD2-NH1 3.27Å; L1035-I1058 HydrophobicContact CD2-CD1 3.85Å
1036	R	92.7	Very high	91.4	Very high	150 Å²	150	75 Å²	75	57%	0.566	41%	0.414	S	S	*	.	H	α-helix	trans	-59.1	-45.2	173.2	-73.2	176.7	-171.4	156.2	11.5	111.7	Q1032 S1033 F1034 K1038 N1039 E1042	Q1032-R1036 WeakPolarHBondContact O-CG 3.48Å; Q1032-R1036 PolarHBondContact O-N 3.41Å; S1033-R1036 PolarHBondContact O-N 3.47Å; F1034-R1036 PolarHBondContact O-N 3.03Å; R1036-K1038 PolarHBondContact O-N 3.23Å; R1036-N1039 PolarHBondContact O-N 3.4Å; R1036-E1042 HydrophobicContact CG-CG 4.46Å; R1036-E1042 IonicContact CZ-OE1 3.23Å; R1036-E1042 IonicContact NE-OE1 3.03Å; R1036-E1042 PolarHBondContact NE-OE1 2.88Å; R1036-E1042 VanDerWaalsContact NH2-CD 3.32Å; R1036-E1042 IonicContact NH2-OE1 2.65Å; R1036-E1042 PolarHBondContact NH2-OE1 2.77Å; R1036-E1042 IonicContact NH2-OE2 2.79Å; R1036-E1042 PolarHBondContact NH2-OE2 3.26Å; R1036-E1042 VanDerWaalsContact NH2-OE2 3.11Å
1037	A	92.7	Very high	91.4	Very high	82 Å²	82	69.9 Å²	69.9	68%	0.678	40%	0.396	S	S	*	.	H	α-helix	trans	-62.3	-30.6	178.5	0	0	0	0	0	112.6	S1033 F1034 L1035 N1039	S1033-A1037 PolarHBondContact O-N 3.29Å; F1034-A1037 PolarHBondContact O-N 3.05Å; L1035-A1037 VanDerWaalsContact C-N 3.34Å; L1035-A1037 PolarHBondContact O-N 3.31Å; A1037-N1039 VanDerWaalsContact C-N 3.34Å
1038	K	90.3	Very high	91.6	Very high	78 Å²	78	70 Å²	70	34%	0.339	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	3.2	175.2	-69.5	-71	-173.2	163.3	0	114.4	F1034 L1035 R1036 S1040 E1057 E1062	F1034-K1038 HydrophobicContact CE1-CG 4.12Å; F1034-K1038 HydrophobicContact CE2-CG 4.29Å; F1034-K1038 HydrophobicContact CZ-CG 3.95Å; F1034-K1038 PolarHBondContact O-N 3.45Å; L1035-K1038 CarbonylContact O-C 3.55Å; L1035-K1038 PolarHBondContact O-N 2.88Å; R1036-K1038 PolarHBondContact O-N 3.23Å; K1038-S1040 PolarHBondContact O-N 3.44Å; K1038-E1057 HydrophobicContact CB-CG 4.39Å; K1038-E1062 WeakPolarHBondContact CE-OE1 3.28Å; K1038-E1062 IonicContact NZ-OE1 3.12Å; K1038-E1062 PolarHBondContact NZ-OE1 3.11Å; K1038-E1062 IonicContact NZ-OE2 3.87Å
1039	N	90.5	Very high	91.7	Very high	157 Å²	157	66.7 Å²	66.7	84%	0.84	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	33.3	-171.3	-61	-48.2	0	0	0	113.3	L1035 R1036 A1037	L1035-N1039 PolarHBondContact O-N 3.16Å; L1035-N1039 VanDerWaalsContact O-N 3.16Å; R1036-N1039 PolarHBondContact O-N 3.4Å; A1037-N1039 VanDerWaalsContact C-N 3.34Å
1040	S	88.8	Confident	91.9	Very high	15 Å²	15	63.1 Å²	63.1	11%	0.105	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-99.2	152.9	179.3	-172	0	0	0	0	111.4	L1035 K1038 E1042 R1055 E1057	L1035-S1040 PolarHBondContact O-N 3.28Å; K1038-S1040 PolarHBondContact O-N 3.44Å; S1040-E1042 PolarHBondContact O-N 2.62Å; S1040-R1055 PolarHBondContact OG-NH1 3.06Å; S1040-E1057 WeakPolarHBondContact CB-OE1 3.24Å; S1040-E1057 PolarHBondContact OG-OE1 3.19Å
1041	A	90.2	Very high	92	Very high	73 Å²	73	60.9 Å²	60.9	60%	0.603	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-67.7	127.9	-179.4	0	0	0	0	0	111.9	R1055	A1041-R1055 VanDerWaalsContact O-CZ 3.29Å; A1041-R1055 PolarHBondContact O-NH1 3.39Å; A1041-R1055 PolarHBondContact O-NH2 3.12Å
1042	E	91.4	Very high	92.1	Very high	87 Å²	87	60.8 Å²	60.8	41%	0.407	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-56.2	150.6	177	-73.7	-173.6	-142.5	0	0	113.2	Q1032 R1036 S1040	Q1032-E1042 VanDerWaalsContact OE1-CA 3.28Å; R1036-E1042 HydrophobicContact CG-CG 4.46Å; R1036-E1042 IonicContact CZ-OE1 3.23Å; R1036-E1042 IonicContact NE-OE1 3.03Å; R1036-E1042 PolarHBondContact NE-OE1 2.88Å; R1036-E1042 VanDerWaalsContact NH2-CD 3.32Å; R1036-E1042 IonicContact NH2-OE1 2.65Å; R1036-E1042 PolarHBondContact NH2-OE1 2.77Å; R1036-E1042 IonicContact NH2-OE2 2.79Å; R1036-E1042 PolarHBondContact NH2-OE2 3.26Å; R1036-E1042 VanDerWaalsContact NH2-OE2 3.11Å; S1040-E1042 PolarHBondContact O-N 2.62Å
1043	L	90.4	Very high	92.3	Very high	9 Å²	9	59.6 Å²	59.6	5%	0.047	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-79.4	128.2	176.1	-65.9	-179.5	0	0	0	110.4	I1025 P1027 V1031 Q1032 L1035 V1047 F1052	I1025-L1043 HydrophobicContact CG2-CD1 4.35Å; P1027-L1043 HydrophobicContact CB-CB 3.88Å; V1031-L1043 HydrophobicContact CG1-CD1 3.68Å; V1031-L1043 HydrophobicContact CG1-CG 4.44Å; Q1032-L1043 PolarHBondContact NE2-O 2.72Å; L1035-L1043 HydrophobicContact CD1-CG 3.84Å; L1043-V1047 HydrophobicContact CD1-CG2 3.92Å; L1043-V1047 HydrophobicContact CD2-CB 4.44Å; L1043-V1047 HydrophobicContact CD2-CG1 3.86Å; L1043-V1047 HydrophobicContact CD2-CG2 3.68Å; L1043-V1047 HydrophobicContact CG-CG2 4.47Å; L1043-F1052 HydrophobicContact CD1-CD2 4.11Å; L1043-F1052 HydrophobicContact CD1-CE2 3.98Å; L1043-F1052 HydrophobicContact CD2-CD2 4.32Å; L1043-F1052 HydrophobicContact CG-CE2 4.42Å
1044	K	86.9	Confident	92.3	Very high	192 Å²	192	60.2 Å²	60.2	84%	0.835	32%	0.319	S	S	*	.	S	Bend	trans	-81.6	-41.1	172.4	-64.5	-177	-179.2	179.8	0	111.9
1045	D	90.4	Very high	92.2	Very high	126 Å²	126	61.3 Å²	61.3	67%	0.674	32%	0.323	S	S	*	.	S	Bend	trans	-134.3	174.4	-178.4	-65.8	-61.9	0	0	0	110.2	V1047	D1045-V1047 PolarHBondContact O-N 2.68Å
1046	G	90.6	Very high	91.9	Very high	21 Å²	21	66.5 Å²	66.5	22%	0.216	36%	0.357	C	S	.	.			trans	-70.5	122.7	175.8	0	0	0	0	0	112.8	R1024 I1025	R1024-G1046 PolarHBondContact NH2-O 3.39Å; R1024-G1046 VanDerWaalsContact NH2-O 3.14Å; I1025-G1046 CarbonylContact O-C 3.47Å; I1025-G1046 WeakPolarHBondContact O-CA 3.12Å
1047	V	93.8	Very high	91.7	Very high	42 Å²	42	62.6 Å²	62.6	26%	0.255	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	159.5	179.2	-62.6	0	0	0	0	111.3	R1024 I1025 L1043 D1045 F1052	R1024-V1047 CarbonylContact C-O 3.59Å; R1024-V1047 WeakPolarHBondContact CA-O 3.48Å; I1025-V1047 PolarHBondContact N-O 2.95Å; I1025-V1047 PolarHBondContact O-N 2.87Å; L1043-V1047 HydrophobicContact CD1-CG2 3.92Å; L1043-V1047 HydrophobicContact CD2-CB 4.44Å; L1043-V1047 HydrophobicContact CD2-CG1 3.86Å; L1043-V1047 HydrophobicContact CD2-CG2 3.68Å; L1043-V1047 HydrophobicContact CG-CG2 4.47Å; D1045-V1047 PolarHBondContact O-N 2.68Å; V1047-F1052 HydrophobicContact CG2-CB 4.13Å; V1047-F1052 HydrophobicContact CG2-CD2 4.06Å
1048	L	95.6	Very high	91.7	Very high	53 Å²	53	58.7 Å²	58.7	28%	0.277	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	150.1	170.6	-66.6	174.2	0	0	0	110.4	Q1021 I1023 R1024 S1050 D1051 F1052	Q1021-L1048 VanDerWaalsContact O-CD2 3.28Å; Q1021-L1048 WeakPolarHBondContact O-CD2 3.47Å; I1023-L1048 CarbonylContact O-C 3.53Å; I1023-L1048 WeakPolarHBondContact O-CA 3.45Å; R1024-L1048 HydrophobicContact CG-CD2 3.9Å; L1048-S1050 PolarHBondContact O-N 3.19Å; L1048-D1051 HydrophobicContact CB-CB 4.33Å; L1048-D1051 PolarHBondContact O-N 2.84Å; L1048-D1051 VanDerWaalsContact O-N 3.11Å; L1048-F1052 PolarHBondContact O-N 3.41Å
1049	A	95.3	Very high	91.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.6	-35.9	175.6	0	0	0	0	0	111.3	L1020 I1023 I1025 F1052 L1053 L1063 I1067	L1020-A1049 HydrophobicContact CB-CB 4.4Å; L1020-A1049 HydrophobicContact CD2-CB 4.03Å; L1020-A1049 WeakPolarHBondContact O-CB 3.38Å; L1020-A1049 PolarHBondContact O-N 2.97Å; I1023-A1049 HydrophobicContact CB-CB 4.2Å; I1023-A1049 HydrophobicContact CG2-CB 4.4Å; I1023-A1049 PolarHBondContact O-N 3.43Å; I1025-A1049 HydrophobicContact CD1-CB 4.09Å; I1025-A1049 HydrophobicContact CG1-CB 4.35Å; A1049-F1052 WeakPolarHBondContact O-CB 3.28Å; A1049-F1052 PolarHBondContact O-N 2.97Å; A1049-L1053 WeakPolarHBondContact O-CB 3.36Å; A1049-L1053 PolarHBondContact O-N 3.4Å; A1049-L1063 HydrophobicContact CB-CD1 4.23Å; A1049-L1063 HydrophobicContact CB-CD2 4.43Å; A1049-I1067 HydrophobicContact CB-CD1 4.36Å; A1049-I1067 HydrophobicContact CB-CG2 4.18Å
1050	S	94.9	Very high	92	Very high	5 Å²	5	50 Å²	50	4%	0.035	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-44.8	171.3	57.4	0	0	0	0	112.9	L1020 L1048 F1052 L1053 K1054 I1085	L1020-S1050 PolarHBondContact O-N 2.9Å; L1020-S1050 VanDerWaalsContact O-N 3.08Å; L1048-S1050 PolarHBondContact O-N 3.19Å; S1050-F1052 VanDerWaalsContact C-N 3.31Å; S1050-F1052 PolarHBondContact O-N 3.49Å; S1050-L1053 PolarHBondContact O-N 3.12Å; S1050-K1054 WeakPolarHBondContact O-CG 3.35Å; S1050-K1054 PolarHBondContact O-N 3.14Å; S1050-I1085 VanDerWaalsContact O-CG2 3.22Å; S1050-I1085 WeakPolarHBondContact O-CG2 3.43Å
1051	D	93.4	Very high	92.1	Very high	71 Å²	71	55 Å²	55	38%	0.38	29%	0.293	S	S	.	.	H	α-helix	trans	-69.8	-30.3	177.7	-66.7	-35.6	0	0	0	112.5	L1048 K1054	L1048-D1051 HydrophobicContact CB-CB 4.33Å; L1048-D1051 PolarHBondContact O-N 2.84Å; L1048-D1051 VanDerWaalsContact O-N 3.11Å; D1051-K1054 IonicContact OD1-NZ 2.94Å; D1051-K1054 PolarHBondContact OD1-NZ 3.02Å
1052	F	94.5	Very high	92.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.8	-45.8	171.2	-165.5	-98.9	0	0	0	110.9	I1025 V1031 L1035 L1043 V1047 L1048 A1049 S1050 K1054 R1055 I1058 L1063 F1066	I1025-F1052 HydrophobicContact CD1-CB 3.97Å; I1025-F1052 HydrophobicContact CD1-CD1 3.97Å; I1025-F1052 HydrophobicContact CD1-CD2 4.47Å; I1025-F1052 HydrophobicContact CD1-CG 3.9Å; V1031-F1052 HydrophobicContact CG1-CE2 3.92Å; V1031-F1052 HydrophobicContact CG1-CZ 4.15Å; L1035-F1052 HydrophobicContact CD1-CE2 4.08Å; L1035-F1052 HydrophobicContact CD2-CE2 3.84Å; L1035-F1052 HydrophobicContact CD2-CZ 3.77Å; L1035-F1052 HydrophobicContact CG-CE2 4.24Å; L1035-F1052 HydrophobicContact CG-CZ 4.31Å; L1043-F1052 HydrophobicContact CD1-CD2 4.11Å; L1043-F1052 HydrophobicContact CD1-CE2 3.98Å; L1043-F1052 HydrophobicContact CD2-CD2 4.32Å; L1043-F1052 HydrophobicContact CG-CE2 4.42Å; V1047-F1052 HydrophobicContact CG2-CB 4.13Å; V1047-F1052 HydrophobicContact CG2-CD2 4.06Å; L1048-F1052 PolarHBondContact O-N 3.41Å; A1049-F1052 WeakPolarHBondContact O-CB 3.28Å; A1049-F1052 PolarHBondContact O-N 2.97Å; S1050-F1052 VanDerWaalsContact C-N 3.31Å; S1050-F1052 PolarHBondContact O-N 3.49Å; F1052-K1054 VanDerWaalsContact C-N 3.28Å; F1052-K1054 PolarHBondContact O-N 3.41Å; F1052-R1055 WeakPolarHBondContact O-CB 3.22Å; F1052-R1055 WeakPolarHBondContact O-CG 3.48Å; F1052-R1055 PolarHBondContact O-N 3.29Å; F1052-I1058 HydrophobicContact CD1-CD1 3.75Å; F1052-I1058 HydrophobicContact CD1-CG2 3.99Å; F1052-I1058 HydrophobicContact CD2-CD1 4.44Å; F1052-I1058 HydrophobicContact CE1-CD1 3.42Å; F1052-I1058 VanDerWaalsContact CE1-CD1 3.42Å; F1052-I1058 HydrophobicContact CE1-CG2 3.88Å; F1052-I1058 HydrophobicContact CE2-CD1 4.14Å; F1052-I1058 HydrophobicContact CG-CD1 4.27Å; F1052-I1058 HydrophobicContact CZ-CD1 3.64Å; F1052-L1063 HydrophobicContact CB-CD1 4.28Å; F1052-L1063 HydrophobicContact CD1-CD1 3.56Å; F1052-L1063 HydrophobicContact CE1-CD1 4.33Å; F1052-L1063 HydrophobicContact CG-CD1 4.32Å; F1052-F1066 HydrophobicContact CE1-CD2 4.06Å; F1052-F1066 HydrophobicContact CE1-CE2 4.19Å; F1052-F1066 HydrophobicContact CZ-CD2 4.34Å; F1052-F1066 HydrophobicContact CZ-CE2 4.28Å
1053	L	95.2	Very high	92.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.2	-22.3	179.3	-172.8	60.2	0	0	0	113.8	L1020 A1049 S1050 R1055 Y1060 L1063 E1082 I1085 K1086	L1020-L1053 HydrophobicContact CD1-CD2 4.08Å; A1049-L1053 WeakPolarHBondContact O-CB 3.36Å; A1049-L1053 PolarHBondContact O-N 3.4Å; S1050-L1053 PolarHBondContact O-N 3.12Å; L1053-R1055 PolarHBondContact O-N 3.09Å; L1053-R1055 VanDerWaalsContact O-N 3.12Å; L1053-Y1060 HydrophobicContact CD2-CD2 4.27Å; L1053-L1063 HydrophobicContact CB-CD2 4.21Å; L1053-L1063 HydrophobicContact CD1-CD2 4.5Å; L1053-L1063 HydrophobicContact CD2-CD2 4.21Å; L1053-E1082 HydrophobicContact CD1-CG 4.32Å; L1053-I1085 HydrophobicContact CB-CG2 4.15Å; L1053-I1085 HydrophobicContact CD2-CB 4.37Å; L1053-I1085 HydrophobicContact CD2-CD1 4.04Å; L1053-I1085 HydrophobicContact CD2-CG2 4.28Å; L1053-I1085 HydrophobicContact CG-CG2 4.33Å; L1053-K1086 VanDerWaalsContact O-CE 3.23Å; L1053-K1086 WeakPolarHBondContact O-CE 3.36Å; L1053-K1086 VanDerWaalsContact O-CG 3.31Å; L1053-K1086 WeakPolarHBondContact O-CG 3.21Å
1054	K	93.8	Very high	92.5	Very high	76 Å²	76	50.5 Å²	50.5	33%	0.33	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.3	173.1	-79.8	175.2	-175.3	167.3	0	113.5	S1050 D1051 F1052 P1056 I1085 E1088	S1050-K1054 WeakPolarHBondContact O-CG 3.35Å; S1050-K1054 PolarHBondContact O-N 3.14Å; D1051-K1054 IonicContact OD1-NZ 2.94Å; D1051-K1054 PolarHBondContact OD1-NZ 3.02Å; F1052-K1054 VanDerWaalsContact C-N 3.28Å; F1052-K1054 PolarHBondContact O-N 3.41Å; K1054-P1056 WeakPolarHBondContact O-CD 3.32Å; K1054-I1085 HydrophobicContact CG-CG2 3.9Å; K1054-I1085 WeakPolarHBondContact CG-O 3.46Å; K1054-E1088 WeakPolarHBondContact CE-OE2 3.43Å; K1054-E1088 IonicContact NZ-OE2 3.37Å; K1054-E1088 PolarHBondContact NZ-OE2 3.41Å
1055	R	91.8	Very high	92.7	Very high	51 Å²	51	47.5 Å²	47.5	19%	0.192	25%	0.249	C	C	.	.	S	Bend	trans	-69.2	120.8	175.9	-66.5	178.3	175.6	-154.3	-1.4	110	L1035 S1040 A1041 F1052 L1053 E1057 I1058	L1035-R1055 VanDerWaalsContact CD2-NH1 3.27Å; S1040-R1055 PolarHBondContact OG-NH1 3.06Å; A1041-R1055 VanDerWaalsContact O-CZ 3.29Å; A1041-R1055 PolarHBondContact O-NH1 3.39Å; A1041-R1055 PolarHBondContact O-NH2 3.12Å; F1052-R1055 WeakPolarHBondContact O-CB 3.22Å; F1052-R1055 WeakPolarHBondContact O-CG 3.48Å; F1052-R1055 PolarHBondContact O-N 3.29Å; L1053-R1055 PolarHBondContact O-N 3.09Å; L1053-R1055 VanDerWaalsContact O-N 3.12Å; R1055-E1057 PolarHBondContact O-N 3.49Å; R1055-E1057 VanDerWaalsContact O-N 3.12Å; R1055-I1058 HydrophobicContact CB-CB 4.35Å; R1055-I1058 HydrophobicContact CB-CD1 3.82Å; R1055-I1058 HydrophobicContact CB-CG1 3.86Å; R1055-I1058 HydrophobicContact CG-CD1 4.31Å; R1055-I1058 PolarHBondContact O-N 3.09Å
1056	P	86.1	Confident	92.8	Very high	109 Å²	109	43.8 Å²	43.8	71%	0.708	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-36.5	-172.6	-28	34.3	0	0	0	114.8	K1054 I1058 K1086	K1054-P1056 WeakPolarHBondContact O-CD 3.32Å; P1056-I1058 VanDerWaalsContact C-N 3.26Å; P1056-I1058 PolarHBondContact O-N 3Å; P1056-K1086 PolarHBondContact O-NZ 3.04Å
1057	E	88.8	Confident	92.8	Very high	68 Å²	68	43.3 Å²	43.3	32%	0.318	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-5.2	-177.1	70.4	-78.8	-174.5	0	0	114.9	K1038 S1040 R1055	K1038-E1057 HydrophobicContact CB-CG 4.39Å; S1040-E1057 WeakPolarHBondContact CB-OE1 3.24Å; S1040-E1057 PolarHBondContact OG-OE1 3.19Å; R1055-E1057 PolarHBondContact O-N 3.49Å; R1055-E1057 VanDerWaalsContact O-N 3.12Å
1058	I	92.9	Very high	92.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.237	C	C	.	.			trans	-109.8	126.5	-178.1	-53.5	-171.2	0	0	0	109.2	L1035 F1052 R1055 P1056 K1086	L1035-I1058 HydrophobicContact CD2-CD1 3.85Å; F1052-I1058 HydrophobicContact CD1-CD1 3.75Å; F1052-I1058 HydrophobicContact CD1-CG2 3.99Å; F1052-I1058 HydrophobicContact CD2-CD1 4.44Å; F1052-I1058 HydrophobicContact CE1-CD1 3.42Å; F1052-I1058 VanDerWaalsContact CE1-CD1 3.42Å; F1052-I1058 HydrophobicContact CE1-CG2 3.88Å; F1052-I1058 HydrophobicContact CE2-CD1 4.14Å; F1052-I1058 HydrophobicContact CG-CD1 4.27Å; F1052-I1058 HydrophobicContact CZ-CD1 3.64Å; R1055-I1058 HydrophobicContact CB-CB 4.35Å; R1055-I1058 HydrophobicContact CB-CD1 3.82Å; R1055-I1058 HydrophobicContact CB-CG1 3.86Å; R1055-I1058 HydrophobicContact CG-CD1 4.31Å; R1055-I1058 PolarHBondContact O-N 3.09Å; P1056-I1058 VanDerWaalsContact C-N 3.26Å; P1056-I1058 PolarHBondContact O-N 3Å; I1058-K1086 WeakPolarHBondContact O-CE 3.36Å; I1058-K1086 PolarHBondContact O-NZ 3Å
1059	T	93.2	Very high	92	Very high	51 Å²	51	45.8 Å²	45.8	31%	0.313	24%	0.244	S	C	.	.			trans	-97.7	162.3	175.6	60.9	0	0	0	0	111.8	Q1061 E1062 L1063	T1059-Q1061 VanDerWaalsContact C-N 3.28Å; T1059-Q1061 PolarHBondContact O-N 3.34Å; T1059-E1062 PolarHBondContact N-OE2 3.13Å; T1059-E1062 PolarHBondContact O-N 2.84Å; T1059-E1062 WeakPolarHBondContact OG1-CG 3.23Å; T1059-E1062 PolarHBondContact OG1-N 2.65Å; T1059-E1062 PolarHBondContact OG1-OE2 3.03Å; T1059-L1063 PolarHBondContact O-N 3.45Å
1060	Y	93.5	Very high	91.5	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-59.3	-40.5	175.4	-179.1	-85.8	0	0	0	111.7	E1016 L1020 L1053 E1062 L1063 L1064 L1073 V1078 V1081 E1082	E1016-Y1060 HydrophobicContact CG-CE2 4.13Å; E1016-Y1060 PolarHBondContact OE1-OH 3.43Å; L1020-Y1060 HydrophobicContact CD1-CD2 4.22Å; L1020-Y1060 HydrophobicContact CD1-CE2 3.97Å; L1053-Y1060 HydrophobicContact CD2-CD2 4.27Å; Y1060-E1062 VanDerWaalsContact C-N 3.3Å; Y1060-E1062 PolarHBondContact O-N 3.29Å; Y1060-L1063 VanDerWaalsContact O-CB 3.29Å; Y1060-L1063 WeakPolarHBondContact O-CB 3.36Å; Y1060-L1063 PolarHBondContact O-N 2.94Å; Y1060-L1064 HydrophobicContact CD1-CD1 4.38Å; Y1060-L1064 HydrophobicContact CD1-CD2 4.42Å; Y1060-L1064 HydrophobicContact CD1-CG 4.3Å; Y1060-L1064 HydrophobicContact CE1-CD1 3.96Å; Y1060-L1064 HydrophobicContact CE1-CD2 3.82Å; Y1060-L1064 HydrophobicContact CE1-CG 4.04Å; Y1060-L1064 WeakPolarHBondContact O-CG 3.44Å; Y1060-L1064 PolarHBondContact O-N 3.4Å; Y1060-L1073 WeakPolarHBondContact OH-CD1 3.15Å; Y1060-V1078 HydrophobicContact CD1-CB 4.32Å; Y1060-V1078 HydrophobicContact CD1-CG1 3.34Å; Y1060-V1078 HydrophobicContact CD1-CG2 4.05Å; Y1060-V1078 HydrophobicContact CD2-CG1 4.43Å; Y1060-V1078 HydrophobicContact CE1-CG1 4.01Å; Y1060-V1078 HydrophobicContact CE1-CG2 3.83Å; Y1060-V1078 HydrophobicContact CG-CG1 3.59Å; Y1060-V1081 HydrophobicContact CD2-CG1 4.26Å; Y1060-V1081 HydrophobicContact CE2-CG1 4.23Å; Y1060-E1082 PolarHBondContact N-OE2 3.42Å
1061	Q	91.9	Very high	90.7	Very high	120 Å²	120	54.4 Å²	54.4	56%	0.561	29%	0.29	S	S	*	.	H	α-helix	trans	-63.4	-36.1	178.6	-68.3	-61.8	-25.1	0	0	112.6	T1059 L1064	T1059-Q1061 VanDerWaalsContact C-N 3.28Å; T1059-Q1061 PolarHBondContact O-N 3.34Å; Q1061-L1064 PolarHBondContact O-N 2.86Å
1062	E	93.7	Very high	90.3	Very high	35 Å²	35	57.2 Å²	57.2	16%	0.164	31%	0.305	C	S	.	.	H	α-helix	trans	-73.3	-32.9	175.6	-69.8	164.6	143.7	0	0	112.5	F1034 K1038 T1059 Y1060 L1064 Q1065	F1034-E1062 HydrophobicContact CE2-CB 4.37Å; F1034-E1062 HydrophobicContact CE2-CG 4.45Å; F1034-E1062 HydrophobicContact CZ-CB 3.85Å; F1034-E1062 HydrophobicContact CZ-CG 4.2Å; K1038-E1062 WeakPolarHBondContact CE-OE1 3.28Å; K1038-E1062 IonicContact NZ-OE1 3.12Å; K1038-E1062 PolarHBondContact NZ-OE1 3.11Å; K1038-E1062 IonicContact NZ-OE2 3.87Å; T1059-E1062 PolarHBondContact N-OE2 3.13Å; T1059-E1062 PolarHBondContact O-N 2.84Å; T1059-E1062 WeakPolarHBondContact OG1-CG 3.23Å; T1059-E1062 PolarHBondContact OG1-N 2.65Å; T1059-E1062 PolarHBondContact OG1-OE2 3.03Å; Y1060-E1062 VanDerWaalsContact C-N 3.3Å; Y1060-E1062 PolarHBondContact O-N 3.29Å; E1062-L1064 PolarHBondContact O-N 3.07Å; E1062-Q1065 WeakPolarHBondContact O-CB 3.49Å; E1062-Q1065 WeakPolarHBondContact O-CG 3.04Å; E1062-Q1065 PolarHBondContact O-N 3.39Å
1063	L	93.3	Very high	90.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.6	-36	174.5	179.1	73.5	0	0	0	111.8	L1020 I1025 A1049 F1052 L1053 T1059 Y1060 Q1065 F1066 I1067	L1020-L1063 HydrophobicContact CD1-CD2 4.18Å; L1020-L1063 HydrophobicContact CD2-CD2 3.85Å; I1025-L1063 HydrophobicContact CD1-CD1 3.47Å; I1025-L1063 VanDerWaalsContact CD1-CD1 3.47Å; A1049-L1063 HydrophobicContact CB-CD1 4.23Å; A1049-L1063 HydrophobicContact CB-CD2 4.43Å; F1052-L1063 HydrophobicContact CB-CD1 4.28Å; F1052-L1063 HydrophobicContact CD1-CD1 3.56Å; F1052-L1063 HydrophobicContact CE1-CD1 4.33Å; F1052-L1063 HydrophobicContact CG-CD1 4.32Å; L1053-L1063 HydrophobicContact CB-CD2 4.21Å; L1053-L1063 HydrophobicContact CD1-CD2 4.5Å; L1053-L1063 HydrophobicContact CD2-CD2 4.21Å; T1059-L1063 PolarHBondContact O-N 3.45Å; Y1060-L1063 VanDerWaalsContact O-CB 3.29Å; Y1060-L1063 WeakPolarHBondContact O-CB 3.36Å; Y1060-L1063 PolarHBondContact O-N 2.94Å; L1063-Q1065 PolarHBondContact O-N 3.04Å; L1063-F1066 PolarHBondContact O-N 3.2Å; L1063-I1067 HydrophobicContact CD2-CD1 3.81Å; L1063-I1067 HydrophobicContact CG-CD1 3.78Å; L1063-I1067 HydrophobicContact CG-CG1 4.23Å; L1063-I1067 PolarHBondContact O-N 3.3Å
1064	L	92.2	Very high	89.8	Confident	38 Å²	38	61.9 Å²	61.9	20%	0.199	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.2	179.7	-61	-171.3	0	0	0	114.2	Y1060 Q1061 E1062 F1066 I1067 A1069	Y1060-L1064 HydrophobicContact CD1-CD1 4.38Å; Y1060-L1064 HydrophobicContact CD1-CD2 4.42Å; Y1060-L1064 HydrophobicContact CD1-CG 4.3Å; Y1060-L1064 HydrophobicContact CE1-CD1 3.96Å; Y1060-L1064 HydrophobicContact CE1-CD2 3.82Å; Y1060-L1064 HydrophobicContact CE1-CG 4.04Å; Y1060-L1064 WeakPolarHBondContact O-CG 3.44Å; Y1060-L1064 PolarHBondContact O-N 3.4Å; Q1061-L1064 PolarHBondContact O-N 2.86Å; E1062-L1064 PolarHBondContact O-N 3.07Å; L1064-F1066 PolarHBondContact O-N 3.06Å; L1064-I1067 HydrophobicContact CD2-CD1 4.29Å; L1064-I1067 HydrophobicContact CD2-CG1 4.13Å; L1064-A1069 HydrophobicContact CD1-CB 4.26Å
1065	Q	91.3	Very high	89.5	Confident	129 Å²	129	61.2 Å²	61.2	60%	0.603	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.5	172.4	-61.1	178.8	35.8	0	0	112.8	E1062 L1063	E1062-Q1065 WeakPolarHBondContact O-CB 3.49Å; E1062-Q1065 WeakPolarHBondContact O-CG 3.04Å; E1062-Q1065 PolarHBondContact O-N 3.39Å; L1063-Q1065 PolarHBondContact O-N 3.04Å
1066	F	92.2	Very high	89.4	Confident	48 Å²	48	61.9 Å²	61.9	21%	0.211	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-9.6	-172.8	-50.2	-61.4	0	0	0	113.6	I1025 V1031 F1034 F1052 L1063 L1064	I1025-F1066 HydrophobicContact CD1-CB 4.21Å; I1025-F1066 HydrophobicContact CG2-CB 4.32Å; V1031-F1066 HydrophobicContact CB-CD1 4.5Å; V1031-F1066 HydrophobicContact CB-CE1 4.4Å; V1031-F1066 HydrophobicContact CG2-CB 4.42Å; V1031-F1066 HydrophobicContact CG2-CD1 3.4Å; V1031-F1066 HydrophobicContact CG2-CE1 3.73Å; V1031-F1066 HydrophobicContact CG2-CG 3.88Å; V1031-F1066 HydrophobicContact CG2-CZ 4.45Å; F1034-F1066 HydrophobicContact CB-CE2 4.49Å; F1034-F1066 HydrophobicContact CB-CZ 3.67Å; F1034-F1066 AromaticContact CD1-CE2 3.78Å; F1034-F1066 HydrophobicContact CD1-CE2 3.78Å; F1034-F1066 AromaticContact CD1-CZ 3.83Å; F1034-F1066 HydrophobicContact CD1-CZ 3.83Å; F1034-F1066 HydrophobicContact CD2-CZ 4.17Å; F1034-F1066 HydrophobicContact CE1-CE2 4.13Å; F1034-F1066 HydrophobicContact CG-CE2 4.02Å; F1034-F1066 AromaticContact CG-CZ 3.62Å; F1034-F1066 HydrophobicContact CG-CZ 3.62Å; F1052-F1066 HydrophobicContact CE1-CD2 4.06Å; F1052-F1066 HydrophobicContact CE1-CE2 4.19Å; F1052-F1066 HydrophobicContact CZ-CD2 4.34Å; F1052-F1066 HydrophobicContact CZ-CE2 4.28Å; L1063-F1066 PolarHBondContact O-N 3.2Å; L1064-F1066 PolarHBondContact O-N 3.06Å
1067	I	91.1	Very high	89.7	Confident	11 Å²	11	57 Å²	57	6%	0.056	32%	0.319	C	S	.	.	S	Bend	trans	-133.2	154.1	179.6	68.5	172.5	0	0	0	109.8	L1020 I1023 I1025 A1049 L1063 L1064 A1069	L1020-I1067 HydrophobicContact CD2-CD1 3.35Å; I1023-I1067 HydrophobicContact CD1-CB 4.48Å; I1023-I1067 HydrophobicContact CG2-CB 4.18Å; I1023-I1067 HydrophobicContact CG2-CG2 3.56Å; I1025-I1067 HydrophobicContact CD1-CG2 3.92Å; I1025-I1067 HydrophobicContact CG1-CG2 3.85Å; A1049-I1067 HydrophobicContact CB-CD1 4.36Å; A1049-I1067 HydrophobicContact CB-CG2 4.18Å; L1063-I1067 HydrophobicContact CD2-CD1 3.81Å; L1063-I1067 HydrophobicContact CG-CD1 3.78Å; L1063-I1067 HydrophobicContact CG-CG1 4.23Å; L1063-I1067 PolarHBondContact O-N 3.3Å; L1064-I1067 HydrophobicContact CD2-CD1 4.29Å; L1064-I1067 HydrophobicContact CD2-CG1 4.13Å; I1067-A1069 PolarHBondContact O-N 3.29Å
1068	P	87.8	Confident	90	Very high	95 Å²	95	54.5 Å²	54.5	62%	0.617	31%	0.309	S	S	*	.			trans	-56.4	134.6	172.3	-23.3	34	0	0	0	111.2	R1019	R1019-P1068 PolarHBondContact NH1-O 2.95Å
1069	A	84.2	Confident	90	Very high	52 Å²	52	58.2 Å²	58.2	43%	0.43	33%	0.326	S	S	.	.			trans	-64.4	148.4	174.6	0	0	0	0	0	111.1	L1064 I1067	L1064-A1069 HydrophobicContact CD1-CB 4.26Å; I1067-A1069 PolarHBondContact O-N 3.29Å
1070	N	85.1	Confident	90	Very high	41 Å²	41	55.9 Å²	55.9	22%	0.219	31%	0.312	C	S	.	.			trans	-113.1	103	166.3	179.9	-1.5	0	0	0	106.2	E1016 D1072 L1073	E1016-N1070 PolarHBondContact OE2-ND2 3.25Å; N1070-D1072 VanDerWaalsContact C-N 3.27Å; N1070-D1072 PolarHBondContact O-N 2.76Å; N1070-D1072 WeakPolarHBondContact OD1-CB 3.37Å; N1070-D1072 PolarHBondContact OD1-N 3.02Å; N1070-L1073 HydrophobicContact CB-CD1 4.07Å
1071	D	79.2	Confident	90.1	Very high	145 Å²	145	55.8 Å²	55.8	78%	0.775	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-4.9	-173	-60.9	-37.3	0	0	0	112.7	L1073	D1071-L1073 VanDerWaalsContact C-N 3.3Å; D1071-L1073 PolarHBondContact O-N 3.28Å
1072	D	84.6	Confident	90.2	Very high	131 Å²	131	52 Å²	52	70%	0.701	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-12.1	-178.7	-62.3	-30.8	0	0	0	113	N1070	N1070-D1072 VanDerWaalsContact C-N 3.27Å; N1070-D1072 PolarHBondContact O-N 2.76Å; N1070-D1072 WeakPolarHBondContact OD1-CB 3.37Å; N1070-D1072 PolarHBondContact OD1-N 3.02Å
1073	L	89.7	Confident	90.2	Very high	23 Å²	23	51 Å²	51	12%	0.12	29%	0.289	C	S	.	.			trans	-88.3	127.5	-174.8	-68.5	158.4	0	0	0	112.2	H1012 E1016 Y1060 N1070 D1071 E1077 V1078	H1012-L1073 HydrophobicContact CB-CD2 3.96Å; E1016-L1073 HydrophobicContact CB-CD1 3.9Å; E1016-L1073 HydrophobicContact CB-CD2 4.25Å; E1016-L1073 HydrophobicContact CG-CD1 3.49Å; E1016-L1073 VanDerWaalsContact CG-CD1 3.49Å; Y1060-L1073 WeakPolarHBondContact OH-CD1 3.15Å; N1070-L1073 HydrophobicContact CB-CD1 4.07Å; D1071-L1073 VanDerWaalsContact C-N 3.3Å; D1071-L1073 PolarHBondContact O-N 3.28Å; L1073-E1077 WeakPolarHBondContact CA-OE2 3.39Å; L1073-E1077 HydrophobicContact CD2-CB 3.79Å; L1073-V1078 HydrophobicContact CB-CG2 3.85Å
1074	T	89	Confident	90.2	Very high	75 Å²	75	53.8 Å²	53.8	46%	0.46	30%	0.302	S	S	.	.			trans	-67.3	157.6	167.4	65.8	0	0	0	0	111.3	K1076 E1077 V1078	T1074-K1076 PolarHBondContact O-N 3.2Å; T1074-E1077 WeakPolarHBondContact CB-OE2 3.47Å; T1074-E1077 PolarHBondContact N-OE2 3.23Å; T1074-E1077 PolarHBondContact O-N 2.99Å; T1074-E1077 VanDerWaalsContact O-N 3.09Å; T1074-E1077 VanDerWaalsContact OG1-CG 3.22Å; T1074-E1077 WeakPolarHBondContact OG1-CG 3.34Å; T1074-E1077 PolarHBondContact OG1-N 3.48Å; T1074-E1077 PolarHBondContact OG1-OE2 3.49Å; T1074-V1078 WeakPolarHBondContact O-CG2 3.37Å; T1074-V1078 PolarHBondContact O-N 3.18Å
1075	G	87.2	Confident	90.4	Very high	62 Å²	62	52.1 Å²	52.1	64%	0.639	29%	0.293	S	S	*	.	H	α-helix	trans	-57.1	-34.3	176.8	0	0	0	0	0	113.7	V1078 E1079	G1075-V1078 PolarHBondContact O-N 3.34Å; G1075-E1079 PolarHBondContact O-N 3.36Å
1076	K	89.7	Confident	90.5	Very high	64 Å²	64	47.8 Å²	47.8	28%	0.278	27%	0.272	S	S	.	.	H	α-helix	trans	-70	-37.8	177.5	-65.6	173.4	-172.4	158.3	0	111.7	D772 T1074 Q1080	D772-K1076 IonicContact OD1-NZ 3.69Å; D772-K1076 PolarHBondContact OD1-NZ 3.01Å; T1074-K1076 PolarHBondContact O-N 3.2Å; K1076-Q1080 WeakPolarHBondContact O-CG 3.31Å; K1076-Q1080 PolarHBondContact O-N 3.33Å; K1076-Q1080 VanDerWaalsContact O-N 3.14Å
1077	E	93.8	Very high	90.5	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.037	28%	0.275	C	S	.	.	H	α-helix	trans	-68.8	-42.2	174.4	-69.9	160.2	156.2	0	0	111.4	K1009 H1012 I1013 L1073 T1074 E1079 Q1080 V1081	K1009-E1077 WeakPolarHBondContact CA-OE1 3.5Å; K1009-E1077 HydrophobicContact CG-CG 3.74Å; H1012-E1077 IonicContact CG-OE1 2.84Å; H1012-E1077 IonicContact ND1-OE1 3.18Å; H1012-E1077 PolarHBondContact ND1-OE1 3.38Å; H1012-E1077 IonicContact ND1-OE2 3.11Å; I1013-E1077 HydrophobicContact CD1-CG 4.37Å; I1013-E1077 HydrophobicContact CG1-CB 4.03Å; I1013-E1077 HydrophobicContact CG1-CG 4.08Å; L1073-E1077 WeakPolarHBondContact CA-OE2 3.39Å; L1073-E1077 HydrophobicContact CD2-CB 3.79Å; T1074-E1077 WeakPolarHBondContact CB-OE2 3.47Å; T1074-E1077 PolarHBondContact N-OE2 3.23Å; T1074-E1077 PolarHBondContact O-N 2.99Å; T1074-E1077 VanDerWaalsContact O-N 3.09Å; T1074-E1077 VanDerWaalsContact OG1-CG 3.22Å; T1074-E1077 WeakPolarHBondContact OG1-CG 3.34Å; T1074-E1077 PolarHBondContact OG1-N 3.48Å; T1074-E1077 PolarHBondContact OG1-OE2 3.49Å; E1077-E1079 VanDerWaalsContact C-N 3.31Å; E1077-E1079 PolarHBondContact O-N 3.11Å; E1077-Q1080 WeakPolarHBondContact O-CB 3.48Å; E1077-Q1080 PolarHBondContact O-N 3.39Å; E1077-Q1080 VanDerWaalsContact O-N 3.12Å; E1077-V1081 WeakPolarHBondContact O-CG2 3.48Å; E1077-V1081 PolarHBondContact O-N 2.66Å
1078	V	94	Very high	90.5	Very high	15 Å²	15	51.9 Å²	51.9	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-57.1	-45.4	173.9	168.9	0	0	0	0	111.3	Y1060 L1073 T1074 G1075 Q1080 V1081 E1082	Y1060-V1078 HydrophobicContact CD1-CB 4.32Å; Y1060-V1078 HydrophobicContact CD1-CG1 3.34Å; Y1060-V1078 HydrophobicContact CD1-CG2 4.05Å; Y1060-V1078 HydrophobicContact CD2-CG1 4.43Å; Y1060-V1078 HydrophobicContact CE1-CG1 4.01Å; Y1060-V1078 HydrophobicContact CE1-CG2 3.83Å; Y1060-V1078 HydrophobicContact CG-CG1 3.59Å; L1073-V1078 HydrophobicContact CB-CG2 3.85Å; T1074-V1078 WeakPolarHBondContact O-CG2 3.37Å; T1074-V1078 PolarHBondContact O-N 3.18Å; G1075-V1078 PolarHBondContact O-N 3.34Å; V1078-Q1080 VanDerWaalsContact C-N 3.33Å; V1078-Q1080 PolarHBondContact O-N 2.97Å; V1078-V1081 PolarHBondContact O-N 3.19Å; V1078-E1082 WeakPolarHBondContact O-CB 3.47Å; V1078-E1082 PolarHBondContact O-N 3.36Å
1079	E	92.3	Very high	90.6	Very high	77 Å²	77	50 Å²	50	36%	0.36	29%	0.288	S	S	.	.	H	α-helix	trans	-60.2	-42.4	176	-176.3	175.6	-154.5	0	0	111.6	R632 G1075 E1077 E1082 I1083	R632-E1079 IonicContact NH1-OE1 2.77Å; G1075-E1079 PolarHBondContact O-N 3.36Å; E1077-E1079 VanDerWaalsContact C-N 3.31Å; E1077-E1079 PolarHBondContact O-N 3.11Å; E1079-E1082 PolarHBondContact O-N 2.95Å; E1079-I1083 HydrophobicContact CG-CD1 3.69Å; E1079-I1083 HydrophobicContact CG-CG1 4.37Å; E1079-I1083 WeakPolarHBondContact O-CB 3.46Å; E1079-I1083 VanDerWaalsContact O-CG1 3.26Å; E1079-I1083 WeakPolarHBondContact O-CG1 3.42Å; E1079-I1083 PolarHBondContact O-N 3.03Å
1080	Q	94.5	Very high	90.9	Very high	3 Å²	3	55.1 Å²	55.1	1%	0.014	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-46.9	175.9	-73.4	-50.1	-55.5	0	0	112.6	D982 L986 I1013 K1076 E1077 V1078 E1082 I1083 Q1084	D982-Q1080 VanDerWaalsContact CB-NE2 3.35Å; D982-Q1080 PolarHBondContact O-NE2 2.82Å; D982-Q1080 PolarHBondContact OD2-NE2 3.47Å; D982-Q1080 PolarHBondContact OD2-OE1 3.46Å; L986-Q1080 HydrophobicContact CD1-CG 4.32Å; I1013-Q1080 HydrophobicContact CD1-CB 3.61Å; I1013-Q1080 HydrophobicContact CD1-CG 3.75Å; I1013-Q1080 HydrophobicContact CG1-CB 4.01Å; I1013-Q1080 HydrophobicContact CG2-CB 4.24Å; K1076-Q1080 WeakPolarHBondContact O-CG 3.31Å; K1076-Q1080 PolarHBondContact O-N 3.33Å; K1076-Q1080 VanDerWaalsContact O-N 3.14Å; E1077-Q1080 WeakPolarHBondContact O-CB 3.48Å; E1077-Q1080 PolarHBondContact O-N 3.39Å; E1077-Q1080 VanDerWaalsContact O-N 3.12Å; V1078-Q1080 VanDerWaalsContact C-N 3.33Å; V1078-Q1080 PolarHBondContact O-N 2.97Å; Q1080-E1082 VanDerWaalsContact C-N 3.33Å; Q1080-E1082 PolarHBondContact O-N 3.3Å; Q1080-I1083 PolarHBondContact O-N 3.47Å; Q1080-Q1084 WeakPolarHBondContact O-CB 3.49Å; Q1080-Q1084 VanDerWaalsContact O-CG 3.26Å; Q1080-Q1084 WeakPolarHBondContact O-CG 3.49Å; Q1080-Q1084 PolarHBondContact O-N 3.04Å
1081	V	95.4	Very high	91.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.3	-48.2	178.1	171.3	0	0	0	0	110.2	I1013 E1016 I1017 L1020 Y1060 E1077 V1078 I1083 Q1084 I1085	I1013-V1081 HydrophobicContact CB-CG2 4.4Å; I1013-V1081 HydrophobicContact CG1-CG2 4.49Å; I1013-V1081 HydrophobicContact CG2-CG2 4.03Å; E1016-V1081 HydrophobicContact CB-CG2 3.9Å; E1016-V1081 HydrophobicContact CG-CB 4.48Å; E1016-V1081 HydrophobicContact CG-CG1 3.92Å; E1016-V1081 HydrophobicContact CG-CG2 3.87Å; I1017-V1081 HydrophobicContact CG1-CB 4.49Å; I1017-V1081 HydrophobicContact CG1-CG1 4.1Å; I1017-V1081 HydrophobicContact CG1-CG2 4.29Å; L1020-V1081 HydrophobicContact CD1-CG1 3.81Å; Y1060-V1081 HydrophobicContact CD2-CG1 4.26Å; Y1060-V1081 HydrophobicContact CE2-CG1 4.23Å; E1077-V1081 WeakPolarHBondContact O-CG2 3.48Å; E1077-V1081 PolarHBondContact O-N 2.66Å; V1078-V1081 PolarHBondContact O-N 3.19Å; V1081-I1083 PolarHBondContact O-N 3.21Å; V1081-Q1084 PolarHBondContact O-N 3.45Å; V1081-I1085 HydrophobicContact CG1-CD1 3.83Å; V1081-I1085 WeakPolarHBondContact O-CB 3.38Å; V1081-I1085 WeakPolarHBondContact O-CG1 3.26Å; V1081-I1085 PolarHBondContact O-N 2.96Å
1082	E	94.7	Very high	91.7	Very high	41 Å²	41	54.2 Å²	54.2	19%	0.192	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-47.1	-179.5	-176.4	171.3	152.3	0	0	111.9	L1053 Y1060 V1078 E1079 Q1080 K1086	L1053-E1082 HydrophobicContact CD1-CG 4.32Å; Y1060-E1082 PolarHBondContact N-OE2 3.42Å; V1078-E1082 WeakPolarHBondContact O-CB 3.47Å; V1078-E1082 PolarHBondContact O-N 3.36Å; E1079-E1082 PolarHBondContact O-N 2.95Å; Q1080-E1082 VanDerWaalsContact C-N 3.33Å; Q1080-E1082 PolarHBondContact O-N 3.3Å; E1082-K1086 HydrophobicContact CG-CD 3.87Å; E1082-K1086 HydrophobicContact CG-CG 4.4Å; E1082-K1086 VanDerWaalsContact O-CB 3.31Å; E1082-K1086 WeakPolarHBondContact O-CB 3.48Å; E1082-K1086 WeakPolarHBondContact O-CG 3.24Å; E1082-K1086 PolarHBondContact O-N 2.83Å; E1082-K1086 WeakPolarHBondContact OE1-CE 3.33Å; E1082-K1086 IonicContact OE1-NZ 3.51Å; E1082-K1086 PolarHBondContact OE1-NZ 2.51Å
1083	I	93.3	Very high	91.9	Very high	12 Å²	12	54.3 Å²	54.3	6%	0.062	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-46.5	179.5	-67.1	169.5	0	0	0	110.8	P629 E1079 Q1080 V1081 I1085 K1086 Y1087	P629-I1083 HydrophobicContact CB-CD1 3.78Å; P629-I1083 HydrophobicContact CB-CG1 4.28Å; P629-I1083 HydrophobicContact CG-CD1 4.24Å; P629-I1083 HydrophobicContact CG-CG1 4.21Å; P629-I1083 HydrophobicContact CG-CG2 4.09Å; E1079-I1083 HydrophobicContact CG-CD1 3.69Å; E1079-I1083 HydrophobicContact CG-CG1 4.37Å; E1079-I1083 WeakPolarHBondContact O-CB 3.46Å; E1079-I1083 VanDerWaalsContact O-CG1 3.26Å; E1079-I1083 WeakPolarHBondContact O-CG1 3.42Å; E1079-I1083 PolarHBondContact O-N 3.03Å; Q1080-I1083 PolarHBondContact O-N 3.47Å; V1081-I1083 PolarHBondContact O-N 3.21Å; I1083-I1085 VanDerWaalsContact C-N 3.32Å; I1083-I1085 PolarHBondContact O-N 3.3Å; I1083-K1086 PolarHBondContact O-N 3.18Å; I1083-Y1087 HydrophobicContact CG2-CD2 4.03Å; I1083-Y1087 WeakPolarHBondContact O-CB 3.28Å; I1083-Y1087 WeakPolarHBondContact O-CD2 3.21Å; I1083-Y1087 PolarHBondContact O-N 2.94Å
1084	Q	94	Very high	91.8	Very high	59 Å²	59	54 Å²	54	28%	0.276	28%	0.28	S	S	.	.	H	α-helix	trans	-62.5	-39.8	-178	-73.5	-172.9	38	0	0	112	I1017 Q1080 V1081 E1088	I1017-Q1084 HydrophobicContact CD1-CB 3.96Å; I1017-Q1084 VanDerWaalsContact CD1-OE1 3.25Å; Q1080-Q1084 WeakPolarHBondContact O-CB 3.49Å; Q1080-Q1084 VanDerWaalsContact O-CG 3.26Å; Q1080-Q1084 WeakPolarHBondContact O-CG 3.49Å; Q1080-Q1084 PolarHBondContact O-N 3.04Å; V1081-Q1084 PolarHBondContact O-N 3.45Å; Q1084-E1088 WeakPolarHBondContact O-CA 3.39Å; Q1084-E1088 VanDerWaalsContact O-CB 3.26Å; Q1084-E1088 WeakPolarHBondContact O-CB 3.34Å; Q1084-E1088 PolarHBondContact O-N 3.34Å
1085	I	95.3	Very high	91.8	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-71.1	-49.1	177.3	-70.4	173.3	0	0	0	111.2	I1017 L1020 S1050 L1053 K1054 V1081 I1083 Y1087 E1088	I1017-I1085 HydrophobicContact CG1-CD1 4.3Å; I1017-I1085 HydrophobicContact CG1-CG1 4.31Å; L1020-I1085 HydrophobicContact CB-CD1 4.24Å; L1020-I1085 HydrophobicContact CD1-CD1 3.5Å; L1020-I1085 VanDerWaalsContact CD1-CD1 3.5Å; L1020-I1085 HydrophobicContact CG-CD1 4.49Å; S1050-I1085 VanDerWaalsContact O-CG2 3.22Å; S1050-I1085 WeakPolarHBondContact O-CG2 3.43Å; L1053-I1085 HydrophobicContact CB-CG2 4.15Å; L1053-I1085 HydrophobicContact CD2-CB 4.37Å; L1053-I1085 HydrophobicContact CD2-CD1 4.04Å; L1053-I1085 HydrophobicContact CD2-CG2 4.28Å; L1053-I1085 HydrophobicContact CG-CG2 4.33Å; K1054-I1085 HydrophobicContact CG-CG2 3.9Å; K1054-I1085 WeakPolarHBondContact CG-O 3.46Å; V1081-I1085 HydrophobicContact CG1-CD1 3.83Å; V1081-I1085 WeakPolarHBondContact O-CB 3.38Å; V1081-I1085 WeakPolarHBondContact O-CG1 3.26Å; V1081-I1085 PolarHBondContact O-N 2.96Å; I1083-I1085 VanDerWaalsContact C-N 3.32Å; I1083-I1085 PolarHBondContact O-N 3.3Å; I1085-Y1087 VanDerWaalsContact C-N 3.3Å; I1085-Y1087 PolarHBondContact O-N 3.47Å; I1085-E1088 WeakPolarHBondContact O-CB 3.46Å; I1085-E1088 PolarHBondContact O-N 3.43Å
1086	K	93.9	Very high	91.9	Very high	37 Å²	37	56.3 Å²	56.3	16%	0.161	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-38.3	-177.7	-77.7	-176.2	175	-179.3	0	112.7	L1053 P1056 I1058 E1082 I1083	L1053-K1086 VanDerWaalsContact O-CE 3.23Å; L1053-K1086 WeakPolarHBondContact O-CE 3.36Å; L1053-K1086 VanDerWaalsContact O-CG 3.31Å; L1053-K1086 WeakPolarHBondContact O-CG 3.21Å; P1056-K1086 PolarHBondContact O-NZ 3.04Å; I1058-K1086 WeakPolarHBondContact O-CE 3.36Å; I1058-K1086 PolarHBondContact O-NZ 3Å; E1082-K1086 HydrophobicContact CG-CD 3.87Å; E1082-K1086 HydrophobicContact CG-CG 4.4Å; E1082-K1086 VanDerWaalsContact O-CB 3.31Å; E1082-K1086 WeakPolarHBondContact O-CB 3.48Å; E1082-K1086 WeakPolarHBondContact O-CG 3.24Å; E1082-K1086 PolarHBondContact O-N 2.83Å; E1082-K1086 WeakPolarHBondContact OE1-CE 3.33Å; E1082-K1086 IonicContact OE1-NZ 3.51Å; E1082-K1086 PolarHBondContact OE1-NZ 2.51Å; I1083-K1086 PolarHBondContact O-N 3.18Å
1087	Y	91.4	Very high	91.8	Very high	70 Å²	70	59.1 Å²	59.1	28%	0.275	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	10	-176.3	-62.1	-84.9	0	0	0	113.6	P629 L977 I1083 I1085 G1089 Y1090 I1091	P629-Y1087 HydrophobicContact CG-CD2 4.32Å; P629-Y1087 HydrophobicContact CG-CE2 3.79Å; L977-Y1087 HydrophobicContact CD2-CD1 3.97Å; L977-Y1087 HydrophobicContact CD2-CE1 4.42Å; L977-Y1087 HydrophobicContact CD2-CG 4.31Å; I1083-Y1087 HydrophobicContact CG2-CD2 4.03Å; I1083-Y1087 WeakPolarHBondContact O-CB 3.28Å; I1083-Y1087 WeakPolarHBondContact O-CD2 3.21Å; I1083-Y1087 PolarHBondContact O-N 2.94Å; I1085-Y1087 VanDerWaalsContact C-N 3.3Å; I1085-Y1087 PolarHBondContact O-N 3.47Å; Y1087-G1089 VanDerWaalsContact C-N 3.33Å; Y1087-G1089 PolarHBondContact O-N 3.37Å; Y1087-Y1090 HydrophobicContact CD1-CD2 4.22Å; Y1087-Y1090 WeakPolarHBondContact O-CA 3.48Å; Y1087-Y1090 PolarHBondContact O-N 3.35Å; Y1087-I1091 WeakPolarHBondContact O-CG1 3.1Å; Y1087-I1091 PolarHBondContact O-N 3.22Å
1088	E	92	Very high	91.4	Very high	76 Å²	76	59 Å²	59	36%	0.355	28%	0.282	S	S	.	.	H	α-helix	trans	-45.4	-53	-176	-173.3	-170.3	-177.4	0	0	112.5	K1054 Q1084 I1085 Y1090 I1091 K1092	K1054-E1088 WeakPolarHBondContact CE-OE2 3.43Å; K1054-E1088 IonicContact NZ-OE2 3.37Å; K1054-E1088 PolarHBondContact NZ-OE2 3.41Å; Q1084-E1088 WeakPolarHBondContact O-CA 3.39Å; Q1084-E1088 VanDerWaalsContact O-CB 3.26Å; Q1084-E1088 WeakPolarHBondContact O-CB 3.34Å; Q1084-E1088 PolarHBondContact O-N 3.34Å; I1085-E1088 WeakPolarHBondContact O-CB 3.46Å; I1085-E1088 PolarHBondContact O-N 3.43Å; E1088-Y1090 VanDerWaalsContact C-N 3.34Å; E1088-Y1090 PolarHBondContact O-N 3.05Å; E1088-I1091 PolarHBondContact O-N 3.49Å; E1088-K1092 VanDerWaalsContact O-CB 3.3Å; E1088-K1092 WeakPolarHBondContact O-CB 3.31Å; E1088-K1092 PolarHBondContact O-N 3.12Å
1089	G	89.5	Confident	91	Very high	56 Å²	56	62.6 Å²	62.6	58%	0.577	30%	0.298	S	S	*	.	H	α-helix	trans	-63.9	-36.7	-178.5	0	0	0	0	0	113.4	Y1087 K1093	Y1087-G1089 VanDerWaalsContact C-N 3.33Å; Y1087-G1089 PolarHBondContact O-N 3.37Å; G1089-K1093 WeakPolarHBondContact O-CB 3.44Å; G1089-K1093 PolarHBondContact O-N 3.25Å
1090	Y	89.9	Confident	90.4	Very high	159 Å²	159	66.3 Å²	66.3	62%	0.624	31%	0.313	S	S	*	.	H	α-helix	trans	-73.7	-42	177.3	-64.4	-78.3	0	0	0	111.7	L977 Y1087 E1088 K1093 A1094	L977-Y1090 HydrophobicContact CD1-CG 4.49Å; Y1087-Y1090 HydrophobicContact CD1-CD2 4.22Å; Y1087-Y1090 WeakPolarHBondContact O-CA 3.48Å; Y1087-Y1090 PolarHBondContact O-N 3.35Å; E1088-Y1090 VanDerWaalsContact C-N 3.34Å; E1088-Y1090 PolarHBondContact O-N 3.05Å; Y1090-K1093 PolarHBondContact O-N 3.38Å; Y1090-A1094 WeakPolarHBondContact O-CB 3.45Å; Y1090-A1094 PolarHBondContact O-N 3.35Å
1091	I	89	Confident	89.5	Confident	34 Å²	34	69 Å²	69	17%	0.174	33%	0.327	C	S	.	.	H	α-helix	trans	-62.9	-47.8	177.3	-68.4	169.1	0	0	0	109.7	Y1087 E1088 K1093 A1094 M1095	Y1087-I1091 WeakPolarHBondContact O-CG1 3.1Å; Y1087-I1091 PolarHBondContact O-N 3.22Å; E1088-I1091 PolarHBondContact O-N 3.49Å; I1091-K1093 PolarHBondContact O-N 3.28Å; I1091-A1094 WeakPolarHBondContact O-CB 3.45Å; I1091-A1094 PolarHBondContact O-N 2.95Å; I1091-A1094 VanDerWaalsContact O-N 3.09Å; I1091-M1095 HydrophobicContact CG2-CG 4.37Å; I1091-M1095 WeakPolarHBondContact O-CG 3.29Å; I1091-M1095 PolarHBondContact O-N 3.03Å
1092	K	91.9	Very high	88.7	Confident	132 Å²	132	72.2 Å²	72.2	57%	0.574	34%	0.341	S	S	*	.	H	α-helix	trans	-56.9	-48.1	176.9	-175.9	178.2	179	177.7	0	111.9	E1088 A1094 M1095 E1096	E1088-K1092 VanDerWaalsContact O-CB 3.3Å; E1088-K1092 WeakPolarHBondContact O-CB 3.31Å; E1088-K1092 PolarHBondContact O-N 3.12Å; K1092-A1094 VanDerWaalsContact C-N 3.27Å; K1092-A1094 PolarHBondContact O-N 3.44Å; K1092-M1095 PolarHBondContact O-N 3.17Å; K1092-E1096 WeakPolarHBondContact CE-OE1 3.49Å; K1092-E1096 WeakPolarHBondContact O-CG 3.44Å; K1092-E1096 PolarHBondContact O-N 2.86Å
1093	K	90	Very high	87.8	Confident	134 Å²	134	79.9 Å²	79.9	58%	0.583	37%	0.368	S	S	*	.	H	α-helix	trans	-61.9	-34.6	177.3	-173	176.2	-176.4	176.6	0	112.5	G1089 Y1090 I1091 K1097	G1089-K1093 WeakPolarHBondContact O-CB 3.44Å; G1089-K1093 PolarHBondContact O-N 3.25Å; Y1090-K1093 PolarHBondContact O-N 3.38Å; I1091-K1093 PolarHBondContact O-N 3.28Å; K1093-K1097 PolarHBondContact O-N 3.39Å
1094	A	87.2	Confident	86.8	Confident	16 Å²	16	82.7 Å²	82.7	13%	0.132	38%	0.382	C	S	.	.	H	α-helix	trans	-71	-42.8	175.4	0	0	0	0	0	111.5	Y975 I978 Y1090 I1091 K1092 E1096 K1097 V1098	Y975-A1094 HydrophobicContact CD1-CB 4.44Å; I978-A1094 HydrophobicContact CD1-CB 3.49Å; I978-A1094 VanDerWaalsContact CD1-CB 3.49Å; I978-A1094 HydrophobicContact CG1-CB 3.97Å; Y1090-A1094 WeakPolarHBondContact O-CB 3.45Å; Y1090-A1094 PolarHBondContact O-N 3.35Å; I1091-A1094 WeakPolarHBondContact O-CB 3.45Å; I1091-A1094 PolarHBondContact O-N 2.95Å; I1091-A1094 VanDerWaalsContact O-N 3.09Å; K1092-A1094 VanDerWaalsContact C-N 3.27Å; K1092-A1094 PolarHBondContact O-N 3.44Å; A1094-E1096 VanDerWaalsContact C-N 3.35Å; A1094-E1096 PolarHBondContact O-N 3.33Å; A1094-K1097 WeakPolarHBondContact O-CB 3.43Å; A1094-K1097 PolarHBondContact O-N 3.2Å; A1094-K1097 VanDerWaalsContact O-N 3.07Å; A1094-V1098 PolarHBondContact O-N 2.85Å
1095	M	89	Confident	86	Confident	80 Å²	80	81.2 Å²	81.2	39%	0.394	38%	0.375	S	S	.	.	H	α-helix	trans	-61.5	-40.3	175.6	-72.4	-63.4	-69.8	0	0	112.2	I978 I1091 K1092 K1097 V1098 E1099	I978-M1095 HydrophobicContact CD1-CG 4.04Å; I978-M1095 HydrophobicContact CD1-SD 3.7Å; I978-M1095 HydrophobicContact CG1-SD 4.37Å; I978-M1095 HydrophobicContact CG2-SD 4.37Å; I1091-M1095 HydrophobicContact CG2-CG 4.37Å; I1091-M1095 WeakPolarHBondContact O-CG 3.29Å; I1091-M1095 PolarHBondContact O-N 3.03Å; K1092-M1095 PolarHBondContact O-N 3.17Å; M1095-K1097 PolarHBondContact O-N 3.35Å; M1095-V1098 WeakPolarHBondContact O-CB 3.22Å; M1095-V1098 PolarHBondContact O-N 2.96Å; M1095-V1098 VanDerWaalsContact O-N 3.13Å; M1095-E1099 PolarHBondContact O-N 2.96Å
1096	E	90.2	Very high	85.1	Confident	106 Å²	106	84.8 Å²	84.8	50%	0.495	41%	0.405	S	S	.	.	H	α-helix	trans	-60.5	-32.5	173.8	-73.1	172	-171.9	0	0	112.7	K1092 A1094 K1100	K1092-E1096 WeakPolarHBondContact CE-OE1 3.49Å; K1092-E1096 WeakPolarHBondContact O-CG 3.44Å; K1092-E1096 PolarHBondContact O-N 2.86Å; A1094-E1096 VanDerWaalsContact C-N 3.35Å; A1094-E1096 PolarHBondContact O-N 3.33Å; E1096-K1100 WeakPolarHBondContact O-CG 3.47Å; E1096-K1100 PolarHBondContact O-N 3.44Å
1097	K	85.6	Confident	84.6	Confident	123 Å²	123	86.8 Å²	86.8	54%	0.535	41%	0.413	S	S	.	.	H	α-helix	trans	-73.5	-39.9	173.7	-70.8	178.7	176.6	-173.3	0	111.9	Y975 K1093 A1094 M1095 E1099 K1100 L1101	Y975-K1097 HydrophobicContact CE1-CB 4.11Å; K1093-K1097 PolarHBondContact O-N 3.39Å; A1094-K1097 WeakPolarHBondContact O-CB 3.43Å; A1094-K1097 PolarHBondContact O-N 3.2Å; A1094-K1097 VanDerWaalsContact O-N 3.07Å; M1095-K1097 PolarHBondContact O-N 3.35Å; K1097-E1099 VanDerWaalsContact C-N 3.35Å; K1097-K1100 PolarHBondContact O-N 3.46Å; K1097-L1101 PolarHBondContact O-N 2.97Å
1098	V	86.4	Confident	84.4	Confident	5 Å²	5	89.9 Å²	89.9	3%	0.03	43%	0.425	C	S	.	.	H	α-helix	trans	-59.2	-47.1	175.3	169.3	0	0	0	0	110.4	S946 Y975 I978 A1094 M1095 K1100 L1101 K1102	S946-V1098 VanDerWaalsContact CB-CG1 3.47Å; Y975-V1098 HydrophobicContact CD1-CG2 3.78Å; Y975-V1098 HydrophobicContact CD2-CG2 4.02Å; Y975-V1098 HydrophobicContact CE1-CG2 3.6Å; Y975-V1098 HydrophobicContact CE2-CG2 3.85Å; Y975-V1098 HydrophobicContact CG-CG2 3.98Å; I978-V1098 HydrophobicContact CD1-CG2 4.06Å; A1094-V1098 PolarHBondContact O-N 2.85Å; M1095-V1098 WeakPolarHBondContact O-CB 3.22Å; M1095-V1098 PolarHBondContact O-N 2.96Å; M1095-V1098 VanDerWaalsContact O-N 3.13Å; V1098-K1100 VanDerWaalsContact C-N 3.27Å; V1098-K1100 PolarHBondContact O-N 2.93Å; V1098-L1101 PolarHBondContact O-N 2.85Å; V1098-K1102 HydrophobicContact CG1-CD 4.42Å; V1098-K1102 HydrophobicContact CG1-CG 4.43Å; V1098-K1102 PolarHBondContact O-N 3.03Å
1099	E	85.6	Confident	84.3	Confident	90 Å²	90	86.7 Å²	86.7	42%	0.421	41%	0.41	S	S	.	.	H	α-helix	trans	-62.4	-32.5	179.2	-72.8	-54.6	129.9	0	0	113.3	M1095 K1097 K1102	M1095-E1099 PolarHBondContact O-N 2.96Å; K1097-E1099 VanDerWaalsContact C-N 3.35Å; E1099-K1102 WeakPolarHBondContact OE1-CD 3.3Å; E1099-K1102 WeakPolarHBondContact OE1-CE 3.26Å; E1099-K1102 IonicContact OE1-NZ 3.89Å; E1099-K1102 PolarHBondContact OE1-NZ 3.09Å
1100	K	79.3	Confident	84.2	Confident	156 Å²	156	85.9 Å²	85.9	68%	0.678	39%	0.394	S	S	*	.	H	α-helix	trans	-66.6	-40.7	172.4	-73.7	178.2	-177.7	-178.3	0	112.2	E1096 K1097 V1098	E1096-K1100 WeakPolarHBondContact O-CG 3.47Å; E1096-K1100 PolarHBondContact O-N 3.44Å; K1097-K1100 PolarHBondContact O-N 3.46Å; V1098-K1100 VanDerWaalsContact C-N 3.27Å; V1098-K1100 PolarHBondContact O-N 2.93Å
1101	L	75.1	Confident	83.9	Confident	58 Å²	58	84 Å²	84	30%	0.304	39%	0.391	S	S	.	.	H	α-helix	trans	-70.3	-37.3	178	-77.4	-176.7	0	0	0	112.9	Y975 K1097 V1098 R1103 M1104 E1105	Y975-L1101 HydrophobicContact CE2-CD1 4.38Å; Y975-L1101 WeakPolarHBondContact OH-CD1 3.27Å; K1097-L1101 PolarHBondContact O-N 2.97Å; V1098-L1101 PolarHBondContact O-N 2.85Å; L1101-R1103 PolarHBondContact O-N 2.72Å; L1101-R1103 VanDerWaalsContact O-N 3.12Å; L1101-M1104 HydrophobicContact CD2-SD 4.39Å; L1101-M1104 WeakPolarHBondContact O-CA 3.16Å; L1101-M1104 WeakPolarHBondContact O-CB 3.33Å; L1101-M1104 PolarHBondContact O-N 2.94Å; L1101-E1105 PolarHBondContact O-N 2.91Å
1102	K	78.6	Confident	83.6	Confident	68 Å²	68	87.2 Å²	87.2	30%	0.296	40%	0.401	S	S	.	.	H	α-helix	trans	-54.4	-34.1	177.3	-77.5	-178	-178.7	169.6	0	112.6	V1098 E1099 M1104 E1105 A1106	V1098-K1102 HydrophobicContact CG1-CD 4.42Å; V1098-K1102 HydrophobicContact CG1-CG 4.43Å; V1098-K1102 PolarHBondContact O-N 3.03Å; E1099-K1102 WeakPolarHBondContact OE1-CD 3.3Å; E1099-K1102 WeakPolarHBondContact OE1-CE 3.26Å; E1099-K1102 IonicContact OE1-NZ 3.89Å; E1099-K1102 PolarHBondContact OE1-NZ 3.09Å; K1102-M1104 VanDerWaalsContact C-N 3.34Å; K1102-M1104 PolarHBondContact O-N 3.37Å; K1102-E1105 PolarHBondContact O-N 3.4Å; K1102-A1106 PolarHBondContact O-N 3.21Å
1103	R	76.7	Confident	83.5	Confident	202 Å²	202	81 Å²	81	76%	0.762	37%	0.374	S	S	*	.	H	α-helix	trans	-66.3	-32.8	175.2	-64.6	-179.1	-177.9	-170.8	-1.2	113.2	L1101	L1101-R1103 PolarHBondContact O-N 2.72Å; L1101-R1103 VanDerWaalsContact O-N 3.12Å
1104	M	73	Confident	83.5	Confident	71 Å²	71	76.8 Å²	76.8	35%	0.35	36%	0.358	S	S	.	.	H	α-helix	trans	-77.6	-36.5	176.1	-66.6	-178.7	64.5	0	0	111.9	L1101 K1102 A1106 K1107 I1137 A1138	L1101-M1104 HydrophobicContact CD2-SD 4.39Å; L1101-M1104 WeakPolarHBondContact O-CA 3.16Å; L1101-M1104 WeakPolarHBondContact O-CB 3.33Å; L1101-M1104 PolarHBondContact O-N 2.94Å; K1102-M1104 VanDerWaalsContact C-N 3.34Å; K1102-M1104 PolarHBondContact O-N 3.37Å; M1104-A1106 VanDerWaalsContact C-N 3.27Å; M1104-A1106 PolarHBondContact O-N 3.02Å; M1104-K1107 PolarHBondContact O-N 3.47Å; M1104-I1137 HydrophobicContact CE-CG2 4.47Å; M1104-A1138 HydrophobicContact CB-CB 4.16Å
1105	E	75.9	Confident	83.7	Confident	29 Å²	29	76.1 Å²	76.1	14%	0.136	35%	0.352	C	S	.	.	H	α-helix	trans	-64.2	-32.4	175.9	-72.1	179.4	168.4	0	0	112.6	K944 L1101 K1102 K1107 T1136 A1138	K944-E1105 VanDerWaalsContact CD-OE2 3.28Å; K944-E1105 WeakPolarHBondContact CD-OE2 3.36Å; K944-E1105 WeakPolarHBondContact CE-OE2 3.4Å; K944-E1105 IonicContact NZ-OE2 3.56Å; K944-E1105 PolarHBondContact NZ-OE2 3.35Å; L1101-E1105 PolarHBondContact O-N 2.91Å; K1102-E1105 PolarHBondContact O-N 3.4Å; E1105-K1107 PolarHBondContact O-N 3.32Å; E1105-T1136 VanDerWaalsContact O-CG2 3.31Å; E1105-T1136 WeakPolarHBondContact O-CG2 3.32Å; E1105-A1138 HydrophobicContact CB-CB 4.26Å; E1105-A1138 HydrophobicContact CG-CB 3.54Å
1106	A	76.8	Confident	83.6	Confident	78 Å²	78	76.8 Å²	76.8	65%	0.645	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.6	176.8	0	0	0	0	0	113.4	K1102 M1104 R1108	K1102-A1106 PolarHBondContact O-N 3.21Å; M1104-A1106 VanDerWaalsContact C-N 3.27Å; M1104-A1106 PolarHBondContact O-N 3.02Å; A1106-R1108 PolarHBondContact O-N 3.37Å
1107	K	84.2	Confident	83.5	Confident	79 Å²	79	73.6 Å²	73.6	34%	0.343	35%	0.346	S	S	.	.	S	Bend	trans	-82.7	97.4	176.1	-64.6	-167.8	179.1	-168.5	0	110.1	M1104 E1105 T1136 I1137 M1155 E1159	M1104-K1107 PolarHBondContact O-N 3.47Å; E1105-K1107 PolarHBondContact O-N 3.32Å; K1107-T1136 WeakPolarHBondContact O-CA 3.45Å; K1107-I1137 HydrophobicContact CB-CB 4.22Å; K1107-I1137 HydrophobicContact CB-CG1 3.85Å; K1107-I1137 PolarHBondContact O-N 3.08Å; K1107-M1155 HydrophobicContact CD-CG 4.29Å; K1107-M1155 HydrophobicContact CD-SD 4.16Å; K1107-M1155 PolarHBondContact NZ-SD 2.81Å; K1107-E1159 IonicContact NZ-OE1 3.37Å; K1107-E1159 PolarHBondContact NZ-OE1 3.08Å
1108	R	87.3	Confident	83.7	Confident	135 Å²	135	67.8 Å²	67.8	51%	0.509	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-71.3	141.9	174.7	-71.8	-78	-173.8	172.9	2.8	111.2	A1106 E1135	A1106-R1108 PolarHBondContact O-N 3.37Å; R1108-E1135 WeakPolarHBondContact CA-O 3.47Å; R1108-E1135 WeakPolarHBondContact CD-O 3.1Å; R1108-E1135 IonicContact CZ-OE2 3.88Å; R1108-E1135 IonicContact NH1-OE2 3.48Å; R1108-E1135 PolarHBondContact NH1-OE2 3.28Å
1109	I	89.7	Confident	83.6	Confident	10 Å²	10	74.4 Å²	74.4	5%	0.051	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-90.4	128.2	166.8	-63.6	168.1	0	0	0	106.7	I1113 P1134 E1135 T1136 I1137 A1140 L1154	I1109-I1113 HydrophobicContact CG2-CB 4.45Å; I1109-I1113 HydrophobicContact CG2-CD1 4.27Å; I1109-I1113 HydrophobicContact CG2-CG2 3.72Å; I1109-P1134 HydrophobicContact CD1-CB 4.27Å; I1109-P1134 HydrophobicContact CD1-CG 3.9Å; I1109-E1135 PolarHBondContact N-O 3.06Å; I1109-T1136 WeakPolarHBondContact CD1-O 3.41Å; I1109-I1137 HydrophobicContact CD1-CD1 4.16Å; I1109-I1137 HydrophobicContact CG1-CD1 3.81Å; I1109-I1137 HydrophobicContact CG1-CG1 4.25Å; I1109-A1140 HydrophobicContact CD1-CB 3.95Å; I1109-L1154 HydrophobicContact CD1-CD2 3.89Å
1110	P	87.4	Confident	83.7	Confident	38 Å²	38	73 Å²	73	25%	0.247	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-62	139.4	179.8	-31.7	43.3	0	0	0	112.5	I1113 V1158 I1163	P1110-I1113 PolarHBondContact O-N 3.44Å; P1110-V1158 HydrophobicContact CG-CG1 4.43Å; P1110-I1163 HydrophobicContact CB-CD1 4.32Å; P1110-I1163 HydrophobicContact CG-CD1 3.56Å
1111	E	83	Confident	84.1	Confident	119 Å²	119	66.1 Å²	66.1	56%	0.556	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	143.6	178.1	-65.2	-169.2	143.3	0	0	111.8	R894 I1113 K1165	R894-E1111 IonicContact CZ-OE1 3.23Å; R894-E1111 IonicContact NH1-OE1 3.46Å; R894-E1111 PolarHBondContact NH1-OE1 2.9Å; R894-E1111 IonicContact NH2-OE1 3.46Å; R894-E1111 PolarHBondContact NH2-OE1 3.32Å; E1111-I1113 PolarHBondContact O-N 3.12Å; E1111-K1165 WeakPolarHBondContact O-CE 3.4Å
1112	R	83.1	Confident	84.8	Confident	103 Å²	103	65.4 Å²	65.4	39%	0.389	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	26.3	-179.5	-53.8	-178.2	-73.8	153.4	-9	114.1	D1114 K1165 V1166 I1171	R1112-D1114 PolarHBondContact O-N 2.93Å; R1112-K1165 HydrophobicContact CB-CB 4.46Å; R1112-K1165 CarbonylContact O-C 3.52Å; R1112-K1165 WeakPolarHBondContact O-CA 3.28Å; R1112-K1165 WeakPolarHBondContact O-CB 3.28Å; R1112-V1166 PolarHBondContact O-N 2.86Å; R1112-I1171 HydrophobicContact CB-CD1 4.41Å; R1112-I1171 HydrophobicContact CG-CD1 3.85Å
1113	I	90.2	Very high	85.4	Confident	1 Å²	1	67 Å²	67	1%	0.005	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-55.9	130.7	174	-173.3	162.7	0	0	0	110.6	I1109 P1110 E1111 Y1115 I1118 L1154 Y1157 V1158 I1163	I1109-I1113 HydrophobicContact CG2-CB 4.45Å; I1109-I1113 HydrophobicContact CG2-CD1 4.27Å; I1109-I1113 HydrophobicContact CG2-CG2 3.72Å; P1110-I1113 PolarHBondContact O-N 3.44Å; E1111-I1113 PolarHBondContact O-N 3.12Å; I1113-Y1115 HydrophobicContact CG2-CD1 4.39Å; I1113-Y1115 HydrophobicContact CG2-CD2 4.09Å; I1113-Y1115 HydrophobicContact CG2-CE1 3.8Å; I1113-Y1115 HydrophobicContact CG2-CE2 3.47Å; I1113-Y1115 VanDerWaalsContact CG2-CE2 3.47Å; I1113-Y1115 WeakPolarHBondContact CG2-OH 3.26Å; I1113-Y1115 PolarHBondContact O-N 2.88Å; I1113-I1118 HydrophobicContact CD1-CD1 4Å; I1113-I1118 HydrophobicContact CG1-CD1 4.34Å; I1113-L1154 HydrophobicContact CD1-CD1 4.16Å; I1113-Y1157 HydrophobicContact CD1-CD1 4.06Å; I1113-Y1157 HydrophobicContact CD1-CE1 4.03Å; I1113-Y1157 HydrophobicContact CG1-CE1 4.39Å; I1113-V1158 HydrophobicContact CD1-CG2 4.2Å; I1113-I1163 HydrophobicContact CB-CG2 4.28Å; I1113-I1163 HydrophobicContact CD1-CG2 3.85Å; I1113-I1163 HydrophobicContact CG1-CG2 3.73Å
1114	D	89.3	Confident	86.1	Confident	46 Å²	46	62.4 Å²	62.4	25%	0.246	34%	0.341	C	S	.	.			trans	-84.8	101.9	172.4	177.8	10.5	0	0	0	109.5	R1112 E1116 A1117 A1164 V1166	R1112-D1114 PolarHBondContact O-N 2.93Å; D1114-E1116 PolarHBondContact O-N 2.67Å; D1114-E1116 WeakPolarHBondContact OD1-CB 3.45Å; D1114-E1116 PolarHBondContact OD1-N 2.75Å; D1114-A1117 HydrophobicContact CB-CB 4.34Å; D1114-A1117 PolarHBondContact O-N 2.84Å; D1114-A1164 HydrophobicContact CB-CB 4.06Å; D1114-A1164 PolarHBondContact N-O 3.02Å; D1114-V1166 HydrophobicContact CB-CG2 3.87Å
1115	Y	90.5	Very high	86.9	Confident	1 Å²	1	59 Å²	59	0%	0.004	33%	0.325	C	S	.	.	S	Bend	trans	-69.4	-19.3	177.9	-64.8	-78.6	0	0	0	113.1	I1113 A1117 I1118 L1121 K1126 L1129 Q1130 L1154	I1113-Y1115 HydrophobicContact CG2-CD1 4.39Å; I1113-Y1115 HydrophobicContact CG2-CD2 4.09Å; I1113-Y1115 HydrophobicContact CG2-CE1 3.8Å; I1113-Y1115 HydrophobicContact CG2-CE2 3.47Å; I1113-Y1115 VanDerWaalsContact CG2-CE2 3.47Å; I1113-Y1115 WeakPolarHBondContact CG2-OH 3.26Å; I1113-Y1115 PolarHBondContact O-N 2.88Å; Y1115-A1117 VanDerWaalsContact C-N 3.32Å; Y1115-I1118 HydrophobicContact CD1-CD1 3.94Å; Y1115-I1118 PolarHBondContact O-N 3.34Å; Y1115-L1121 HydrophobicContact CD1-CD1 4.28Å; Y1115-K1126 WeakPolarHBondContact O-CE 3.4Å; Y1115-L1129 HydrophobicContact CD1-CB 3.71Å; Y1115-L1129 HydrophobicContact CD1-CD1 3.84Å; Y1115-L1129 HydrophobicContact CD1-CG 4.33Å; Y1115-L1129 HydrophobicContact CD2-CB 4.03Å; Y1115-L1129 HydrophobicContact CE1-CB 3.65Å; Y1115-L1129 HydrophobicContact CE1-CD1 3.9Å; Y1115-L1129 HydrophobicContact CE1-CD2 4.19Å; Y1115-L1129 HydrophobicContact CE1-CG 4.13Å; Y1115-L1129 HydrophobicContact CE2-CB 3.96Å; Y1115-L1129 WeakPolarHBondContact CE2-O 3.48Å; Y1115-L1129 HydrophobicContact CG-CB 3.91Å; Y1115-Q1130 HydrophobicContact CD2-CG 3.8Å; Y1115-Q1130 HydrophobicContact CG-CG 4.27Å; Y1115-L1154 HydrophobicContact CD1-CD1 4.34Å; Y1115-L1154 HydrophobicContact CE1-CD1 3.9Å; Y1115-L1154 HydrophobicContact CE1-CD2 4.36Å
1116	E	88.9	Confident	87.7	Confident	95 Å²	95	59 Å²	59	44%	0.444	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-35.9	175.5	-77.5	-47	140.8	0	0	112	D1114 I1118 K1126 Q1130	D1114-E1116 PolarHBondContact O-N 2.67Å; D1114-E1116 WeakPolarHBondContact OD1-CB 3.45Å; D1114-E1116 PolarHBondContact OD1-N 2.75Å; E1116-I1118 PolarHBondContact O-N 2.73Å; E1116-K1126 PolarHBondContact O-NZ 3.28Å; E1116-K1126 WeakPolarHBondContact OE2-CD 3.32Å; E1116-K1126 IonicContact OE2-NZ 2.76Å; E1116-K1126 PolarHBondContact OE2-NZ 3.02Å; E1116-Q1130 VanDerWaalsContact CG-NE2 3.34Å; E1116-Q1130 PolarHBondContact OE1-NE2 3.11Å
1117	A	87.7	Confident	88.4	Confident	38 Å²	38	60.8 Å²	60.8	31%	0.314	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.6	177	0	0	0	0	0	114	D1114 Y1115 N1119 A1164	D1114-A1117 HydrophobicContact CB-CB 4.34Å; D1114-A1117 PolarHBondContact O-N 2.84Å; Y1115-A1117 VanDerWaalsContact C-N 3.32Å; A1117-N1119 PolarHBondContact O-N 2.66Å; A1117-A1164 HydrophobicContact CB-CB 3.5Å; A1117-A1164 VanDerWaalsContact CB-CB 3.5Å
1118	I	88.3	Confident	88.7	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	32%	0.321	C	S	.	.			trans	-86.5	102.8	179.5	-49.2	-178.5	0	0	0	109.8	I1113 Y1115 E1116 L1121 K1126 I1153 L1154 Y1157	I1113-I1118 HydrophobicContact CD1-CD1 4Å; I1113-I1118 HydrophobicContact CG1-CD1 4.34Å; Y1115-I1118 HydrophobicContact CD1-CD1 3.94Å; Y1115-I1118 PolarHBondContact O-N 3.34Å; E1116-I1118 PolarHBondContact O-N 2.73Å; I1118-L1121 HydrophobicContact CB-CD1 3.73Å; I1118-L1121 HydrophobicContact CB-CG 4.11Å; I1118-L1121 HydrophobicContact CD1-CD1 3.99Å; I1118-L1121 HydrophobicContact CG1-CD1 4.39Å; I1118-L1121 HydrophobicContact CG2-CD1 3.8Å; I1118-L1121 HydrophobicContact CG2-CG 3.75Å; I1118-K1126 WeakPolarHBondContact O-CE 3.02Å; I1118-I1153 HydrophobicContact CG2-CG2 3.89Å; I1118-L1154 HydrophobicContact CD1-CD1 3.65Å; I1118-Y1157 HydrophobicContact CD1-CD1 3.61Å; I1118-Y1157 HydrophobicContact CD1-CE1 3.88Å; I1118-Y1157 HydrophobicContact CD1-CG 4.1Å; I1118-Y1157 HydrophobicContact CG1-CD1 3.72Å; I1118-Y1157 HydrophobicContact CG1-CD2 4.15Å; I1118-Y1157 HydrophobicContact CG1-CE1 3.65Å; I1118-Y1157 HydrophobicContact CG1-CE2 4.1Å; I1118-Y1157 HydrophobicContact CG1-CG 3.96Å; I1118-Y1157 HydrophobicContact CG2-CD2 4.11Å; I1118-Y1157 HydrophobicContact CG2-CG 4.04Å
1119	N	85.2	Confident	88.9	Confident	145 Å²	145	54.7 Å²	54.7	78%	0.775	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	134.9	174.8	-68.8	-45.1	0	0	0	111.4	A1117	A1117-N1119 PolarHBondContact O-N 2.66Å
1120	G	86.8	Confident	88.9	Confident	59 Å²	59	57.3 Å²	57.3	61%	0.608	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.4	-11.3	174.7	0	0	0	0	0	115.6	I1153	G1120-I1153 WeakPolarHBondContact O-CD1 3.41Å
1121	L	89.1	Confident	88.9	Confident	13 Å²	13	60.5 Å²	60.5	7%	0.068	32%	0.318	C	S	.	.			trans	-67.8	137.2	169.6	-68.7	-177.6	0	0	0	110.6	Y1115 I1118 K1126 L1129 D1150 I1153	Y1115-L1121 HydrophobicContact CD1-CD1 4.28Å; I1118-L1121 HydrophobicContact CB-CD1 3.73Å; I1118-L1121 HydrophobicContact CB-CG 4.11Å; I1118-L1121 HydrophobicContact CD1-CD1 3.99Å; I1118-L1121 HydrophobicContact CG1-CD1 4.39Å; I1118-L1121 HydrophobicContact CG2-CD1 3.8Å; I1118-L1121 HydrophobicContact CG2-CG 3.75Å; L1121-K1126 HydrophobicContact CB-CD 4.43Å; L1121-K1126 HydrophobicContact CB-CG 3.69Å; L1121-K1126 HydrophobicContact CD1-CG 4.22Å; L1121-L1129 HydrophobicContact CD1-CD1 4.03Å; L1121-D1150 HydrophobicContact CD2-CB 3.82Å; L1121-D1150 WeakPolarHBondContact CD2-O 3.46Å; L1121-I1153 HydrophobicContact CD2-CB 4.12Å; L1121-I1153 HydrophobicContact CD2-CG2 4.02Å; L1121-I1153 HydrophobicContact CG-CG2 4.29Å
1122	A	90.2	Very high	89.2	Confident	43 Å²	43	55.5 Å²	55.5	36%	0.355	30%	0.295	S	S	.	.			trans	-60.5	145.7	171.1	0	0	0	0	0	110.8	E1124 A1125 K1126 D1150	A1122-E1124 VanDerWaalsContact C-N 3.29Å; A1122-E1124 PolarHBondContact O-N 2.9Å; A1122-A1125 HydrophobicContact CB-CB 4.17Å; A1122-A1125 WeakPolarHBondContact O-CB 3.22Å; A1122-A1125 PolarHBondContact O-N 3.35Å; A1122-K1126 PolarHBondContact O-N 2.72Å; A1122-D1150 PolarHBondContact N-OD1 3.49Å
1123	T	90.2	Very high	89.6	Confident	102 Å²	102	53.5 Å²	53.5	63%	0.626	29%	0.29	S	S	*	.	H	α-helix	trans	-57.2	-41.9	-179.8	-52.1	0	0	0	0	112.2	K1126 Q1127	T1123-K1126 PolarHBondContact O-N 3.35Å; T1123-Q1127 WeakPolarHBondContact O-CG 3.42Å; T1123-Q1127 PolarHBondContact O-N 2.96Å
1124	E	90.5	Very high	89.6	Confident	105 Å²	105	53.7 Å²	53.7	49%	0.491	29%	0.291	S	S	.	.	H	α-helix	trans	-61.5	-45.1	174.8	-176.3	-179.8	-176	0	0	111.4	A1122 K1126 Q1127 K1128	A1122-E1124 VanDerWaalsContact C-N 3.29Å; A1122-E1124 PolarHBondContact O-N 2.9Å; E1124-K1126 VanDerWaalsContact C-N 3.35Å; E1124-K1126 PolarHBondContact O-N 3.46Å; E1124-Q1127 PolarHBondContact O-N 3.26Å; E1124-K1128 HydrophobicContact CG-CG 4.4Å; E1124-K1128 VanDerWaalsContact O-CG 3.27Å; E1124-K1128 WeakPolarHBondContact O-CG 3.43Å; E1124-K1128 PolarHBondContact O-N 2.97Å
1125	A	91	Very high	89.6	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.6	-42.8	178	0	0	0	0	0	111.5	A1122 K1128 L1129 V1146 D1150	A1122-A1125 HydrophobicContact CB-CB 4.17Å; A1122-A1125 WeakPolarHBondContact O-CB 3.22Å; A1122-A1125 PolarHBondContact O-N 3.35Å; A1125-K1128 PolarHBondContact O-N 3.44Å; A1125-L1129 VanDerWaalsContact O-CB 3.23Å; A1125-L1129 WeakPolarHBondContact O-CB 3.49Å; A1125-L1129 WeakPolarHBondContact O-CD1 3.47Å; A1125-L1129 WeakPolarHBondContact O-CG 3.4Å; A1125-L1129 PolarHBondContact O-N 2.98Å; A1125-V1146 HydrophobicContact CB-CG2 4.22Å; A1125-D1150 HydrophobicContact CB-CB 4.01Å
1126	K	92.1	Very high	89.6	Confident	28 Å²	28	53.9 Å²	53.9	12%	0.122	29%	0.292	C	S	.	.	H	α-helix	trans	-56.6	-52	174.3	-72.3	-177.1	164.7	-162.6	0	111.8	Y1115 E1116 I1118 L1121 A1122 T1123 E1124 K1128 L1129 Q1130	Y1115-K1126 WeakPolarHBondContact O-CE 3.4Å; E1116-K1126 PolarHBondContact O-NZ 3.28Å; E1116-K1126 WeakPolarHBondContact OE2-CD 3.32Å; E1116-K1126 IonicContact OE2-NZ 2.76Å; E1116-K1126 PolarHBondContact OE2-NZ 3.02Å; I1118-K1126 WeakPolarHBondContact O-CE 3.02Å; L1121-K1126 HydrophobicContact CB-CD 4.43Å; L1121-K1126 HydrophobicContact CB-CG 3.69Å; L1121-K1126 HydrophobicContact CD1-CG 4.22Å; A1122-K1126 PolarHBondContact O-N 2.72Å; T1123-K1126 PolarHBondContact O-N 3.35Å; E1124-K1126 VanDerWaalsContact C-N 3.35Å; E1124-K1126 PolarHBondContact O-N 3.46Å; K1126-K1128 VanDerWaalsContact C-N 3.33Å; K1126-K1128 PolarHBondContact O-N 3.34Å; K1126-L1129 PolarHBondContact O-N 3.06Å; K1126-Q1130 WeakPolarHBondContact O-CB 3.33Å; K1126-Q1130 VanDerWaalsContact O-CG 3.24Å; K1126-Q1130 WeakPolarHBondContact O-CG 3.35Å; K1126-Q1130 PolarHBondContact O-N 2.93Å
1127	Q	91	Very high	89.5	Confident	116 Å²	116	49.5 Å²	49.5	54%	0.542	27%	0.272	S	S	.	.	H	α-helix	trans	-58.6	-43.9	179.7	-71.2	172.3	-6	0	0	111.9	T1123 E1124 K1131	T1123-Q1127 WeakPolarHBondContact O-CG 3.42Å; T1123-Q1127 PolarHBondContact O-N 2.96Å; E1124-Q1127 PolarHBondContact O-N 3.26Å; Q1127-K1131 WeakPolarHBondContact O-CB 3.43Å; Q1127-K1131 PolarHBondContact O-N 2.7Å
1128	K	90.5	Very high	89.4	Confident	86 Å²	86	47.7 Å²	47.7	37%	0.374	26%	0.257	S	S	.	.	H	α-helix	trans	-69.7	-42.1	179.6	-64.8	-66.4	-176.8	-173.3	0	112.4	E1124 A1125 K1126 K1131 I1132 I1143 V1146	E1124-K1128 HydrophobicContact CG-CG 4.4Å; E1124-K1128 VanDerWaalsContact O-CG 3.27Å; E1124-K1128 WeakPolarHBondContact O-CG 3.43Å; E1124-K1128 PolarHBondContact O-N 2.97Å; A1125-K1128 PolarHBondContact O-N 3.44Å; K1126-K1128 VanDerWaalsContact C-N 3.33Å; K1126-K1128 PolarHBondContact O-N 3.34Å; K1128-K1131 PolarHBondContact O-N 3.22Å; K1128-I1132 WeakPolarHBondContact O-CB 3.33Å; K1128-I1132 WeakPolarHBondContact O-CG1 3.32Å; K1128-I1132 PolarHBondContact O-N 3.34Å; K1128-I1143 HydrophobicContact CB-CG2 3.73Å; K1128-I1143 HydrophobicContact CG-CG2 4.46Å; K1128-V1146 HydrophobicContact CB-CG2 4.29Å
1129	L	92.1	Very high	89.5	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.7	-41.1	176.7	-72.4	168.5	0	0	0	111.6	Y1115 L1121 A1125 K1126 Q1133 P1134 A1140 I1143 V1146 L1154	Y1115-L1129 HydrophobicContact CD1-CB 3.71Å; Y1115-L1129 HydrophobicContact CD1-CD1 3.84Å; Y1115-L1129 HydrophobicContact CD1-CG 4.33Å; Y1115-L1129 HydrophobicContact CD2-CB 4.03Å; Y1115-L1129 HydrophobicContact CE1-CB 3.65Å; Y1115-L1129 HydrophobicContact CE1-CD1 3.9Å; Y1115-L1129 HydrophobicContact CE1-CD2 4.19Å; Y1115-L1129 HydrophobicContact CE1-CG 4.13Å; Y1115-L1129 HydrophobicContact CE2-CB 3.96Å; Y1115-L1129 WeakPolarHBondContact CE2-O 3.48Å; Y1115-L1129 HydrophobicContact CG-CB 3.91Å; L1121-L1129 HydrophobicContact CD1-CD1 4.03Å; A1125-L1129 VanDerWaalsContact O-CB 3.23Å; A1125-L1129 WeakPolarHBondContact O-CB 3.49Å; A1125-L1129 WeakPolarHBondContact O-CD1 3.47Å; A1125-L1129 WeakPolarHBondContact O-CG 3.4Å; A1125-L1129 PolarHBondContact O-N 2.98Å; K1126-L1129 PolarHBondContact O-N 3.06Å; L1129-Q1133 WeakPolarHBondContact O-CA 3.44Å; L1129-Q1133 PolarHBondContact O-N 3.31Å; L1129-P1134 HydrophobicContact CD2-CG 3.76Å; L1129-P1134 WeakPolarHBondContact O-CD 3.42Å; L1129-A1140 HydrophobicContact CD2-CB 3.87Å; L1129-I1143 HydrophobicContact CD2-CD1 4.02Å; L1129-V1146 HydrophobicContact CD2-CG2 4.29Å; L1129-V1146 HydrophobicContact CG-CG2 4.11Å; L1129-L1154 HydrophobicContact CD1-CD2 4.42Å; L1129-L1154 HydrophobicContact CD2-CD2 4.32Å
1130	Q	89.7	Confident	89.7	Confident	64 Å²	64	41.1 Å²	41.1	30%	0.299	22%	0.221	S	C	.	.	H	α-helix	trans	-64.4	-44.9	174.4	-75.5	165.5	-5.2	0	0	112.2	Y1115 E1116 K1126 Q1133	Y1115-Q1130 HydrophobicContact CD2-CG 3.8Å; Y1115-Q1130 HydrophobicContact CG-CG 4.27Å; E1116-Q1130 VanDerWaalsContact CG-NE2 3.34Å; E1116-Q1130 PolarHBondContact OE1-NE2 3.11Å; K1126-Q1130 WeakPolarHBondContact O-CB 3.33Å; K1126-Q1130 VanDerWaalsContact O-CG 3.24Å; K1126-Q1130 WeakPolarHBondContact O-CG 3.35Å; K1126-Q1130 PolarHBondContact O-N 2.93Å; Q1130-Q1133 WeakPolarHBondContact O-CG 3.42Å; Q1130-Q1133 PolarHBondContact O-NE2 3.28Å
1131	K	88.5	Confident	89.9	Confident	106 Å²	106	40.6 Å²	40.6	46%	0.461	21%	0.208	S	C	.	.	H	α-helix	trans	-66	-41.4	179.5	-178.9	164.2	-177.3	157	0	112.2	E732 H891 Q1127 K1128	E732-K1131 IonicContact OE1-NZ 2.92Å; E732-K1131 PolarHBondContact OE1-NZ 3.34Å; E732-K1131 IonicContact OE2-NZ 3.86Å; E732-K1131 PolarHBondContact OE2-NZ 2.9Å; E732-K1131 VanDerWaalsContact OE2-NZ 3.12Å; H891-K1131 WeakPolarHBondContact CE1-CE 3.37Å; H891-K1131 WeakPolarHBondContact NE2-CE 3.47Å; Q1127-K1131 WeakPolarHBondContact O-CB 3.43Å; Q1127-K1131 PolarHBondContact O-N 2.7Å; K1128-K1131 PolarHBondContact O-N 3.22Å
1132	I	89.2	Confident	89.9	Confident	14 Å²	14	42 Å²	42	7%	0.072	21%	0.213	C	C	.	.	H	α-helix	trans	-90.8	-27.4	-171.6	-64.7	162	0	0	0	112	H891 K900 T959 K1128 I1143	H891-I1132 HydrophobicContact CB-CG1 4.45Å; K900-I1132 PolarHBondContact NZ-O 3.48Å; T959-I1132 WeakPolarHBondContact O-CD1 3.49Å; K1128-I1132 WeakPolarHBondContact O-CB 3.33Å; K1128-I1132 WeakPolarHBondContact O-CG1 3.32Å; K1128-I1132 PolarHBondContact O-N 3.34Å; I1132-I1143 HydrophobicContact CB-CD1 3.96Å; I1132-I1143 HydrophobicContact CD1-CB 4.24Å; I1132-I1143 HydrophobicContact CD1-CD1 3.9Å; I1132-I1143 HydrophobicContact CD1-CG1 3.87Å; I1132-I1143 HydrophobicContact CD1-CG2 3.41Å; I1132-I1143 VanDerWaalsContact CD1-CG2 3.41Å; I1132-I1143 HydrophobicContact CG2-CD1 3.84Å; I1132-I1143 HydrophobicContact CG2-CG1 4.29Å
1133	Q	89.8	Confident	89.8	Confident	61 Å²	61	40.2 Å²	40.2	29%	0.285	20%	0.197	S	C	.	.			trans	47.2	61.3	-176.2	-65.1	-67.8	-23.5	0	0	112.2	L1129 Q1130	L1129-Q1133 WeakPolarHBondContact O-CA 3.44Å; L1129-Q1133 PolarHBondContact O-N 3.31Å; Q1130-Q1133 WeakPolarHBondContact O-CG 3.42Å; Q1130-Q1133 PolarHBondContact O-NE2 3.28Å
1134	P	91.3	Very high	89.6	Confident	4 Å²	4	39.8 Å²	39.8	3%	0.026	20%	0.199	C	C	.	.			trans	-62.7	141.5	-179.3	27	-35.2	0	0	0	111.6	I1109 L1129 Q1139 A1140 I1143	I1109-P1134 HydrophobicContact CD1-CB 4.27Å; I1109-P1134 HydrophobicContact CD1-CG 3.9Å; L1129-P1134 HydrophobicContact CD2-CG 3.76Å; L1129-P1134 WeakPolarHBondContact O-CD 3.42Å; P1134-Q1139 HydrophobicContact CB-CB 4.04Å; P1134-Q1139 HydrophobicContact CB-CG 3.94Å; P1134-A1140 HydrophobicContact CB-CB 4.1Å; P1134-A1140 HydrophobicContact CG-CB 3.77Å; P1134-I1143 HydrophobicContact CB-CD1 4.07Å; P1134-I1143 HydrophobicContact CG-CD1 3.77Å
1135	E	89.3	Confident	89.3	Confident	33 Å²	33	35.7 Å²	35.7	15%	0.154	19%	0.185	C	C	.	.	S	Bend	trans	-85.3	-16.2	-179	-59.6	-171.2	174.1	0	0	113	R894 R1108 I1109	R894-E1135 IonicContact CZ-OE1 3.37Å; R894-E1135 IonicContact NH1-OE1 2.83Å; R894-E1135 PolarHBondContact NH1-OE1 2.79Å; R1108-E1135 WeakPolarHBondContact CA-O 3.47Å; R1108-E1135 WeakPolarHBondContact CD-O 3.1Å; R1108-E1135 IonicContact CZ-OE2 3.88Å; R1108-E1135 IonicContact NH1-OE2 3.48Å; R1108-E1135 PolarHBondContact NH1-OE2 3.28Å; I1109-E1135 PolarHBondContact N-O 3.06Å
1136	T	89.4	Confident	89.3	Confident	19 Å²	19	36.2 Å²	36.2	12%	0.117	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-139	154.1	-177.5	67.8	0	0	0	0	112.2	E1105 K1107 I1109 A1138 Q1139 A1140	E1105-T1136 VanDerWaalsContact O-CG2 3.31Å; E1105-T1136 WeakPolarHBondContact O-CG2 3.32Å; K1107-T1136 WeakPolarHBondContact O-CA 3.45Å; I1109-T1136 WeakPolarHBondContact CD1-O 3.41Å; T1136-A1138 PolarHBondContact O-N 2.98Å; T1136-Q1139 WeakPolarHBondContact O-CB 3.44Å; T1136-Q1139 PolarHBondContact O-N 2.65Å; T1136-Q1139 VanDerWaalsContact O-N 3.17Å; T1136-Q1139 WeakPolarHBondContact OG1-CB 3.3Å; T1136-Q1139 PolarHBondContact OG1-N 3.03Å; T1136-Q1139 VanDerWaalsContact OG1-N 3.07Å; T1136-A1140 PolarHBondContact O-N 3.49Å
1137	I	88	Confident	89.2	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-59.5	-36.1	174.2	-64.1	-65.4	0	0	0	111.2	M1104 K1107 I1109 A1140 S1141 I1151 L1154 M1155	M1104-I1137 HydrophobicContact CE-CG2 4.47Å; K1107-I1137 HydrophobicContact CB-CB 4.22Å; K1107-I1137 HydrophobicContact CB-CG1 3.85Å; K1107-I1137 PolarHBondContact O-N 3.08Å; I1109-I1137 HydrophobicContact CD1-CD1 4.16Å; I1109-I1137 HydrophobicContact CG1-CD1 3.81Å; I1109-I1137 HydrophobicContact CG1-CG1 4.25Å; I1137-A1140 PolarHBondContact O-N 3.47Å; I1137-S1141 PolarHBondContact O-N 3.15Å; I1137-I1151 HydrophobicContact CG2-CG2 3.71Å; I1137-L1154 HydrophobicContact CD1-CD2 3.99Å; I1137-L1154 HydrophobicContact CD1-CG 3.89Å; I1137-M1155 HydrophobicContact CD1-CB 4.44Å
1138	A	86	Confident	89.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-44.4	176.5	0	0	0	0	0	111.8	M1104 E1105 T1136 S1141 R1142	M1104-A1138 HydrophobicContact CB-CB 4.16Å; E1105-A1138 HydrophobicContact CB-CB 4.26Å; E1105-A1138 HydrophobicContact CG-CB 3.54Å; T1136-A1138 PolarHBondContact O-N 2.98Å; A1138-S1141 PolarHBondContact O-N 3.39Å; A1138-S1141 PolarHBondContact O-OG 3.37Å; A1138-R1142 VanDerWaalsContact O-CZ 3.31Å; A1138-R1142 PolarHBondContact O-NH1 2.84Å
1139	Q	89.7	Confident	89.1	Confident	7 Å²	7	37.7 Å²	37.7	3%	0.033	22%	0.219	C	C	.	.	H	α-helix	trans	-61.3	-47.5	175.1	-171.8	-176.8	12.9	0	0	110.9	T959 P1134 T1136 S1141 R1142	T959-Q1139 HydrophobicContact CG2-CG 3.62Å; T959-Q1139 WeakPolarHBondContact CG2-O 3.38Å; T959-Q1139 VanDerWaalsContact OG1-CG 3.3Å; T959-Q1139 WeakPolarHBondContact OG1-CG 3.29Å; T959-Q1139 PolarHBondContact OG1-NE2 3.34Å; T959-Q1139 VanDerWaalsContact OG1-NE2 3.16Å; P1134-Q1139 HydrophobicContact CB-CB 4.04Å; P1134-Q1139 HydrophobicContact CB-CG 3.94Å; T1136-Q1139 WeakPolarHBondContact O-CB 3.44Å; T1136-Q1139 PolarHBondContact O-N 2.65Å; T1136-Q1139 VanDerWaalsContact O-N 3.17Å; T1136-Q1139 WeakPolarHBondContact OG1-CB 3.3Å; T1136-Q1139 PolarHBondContact OG1-N 3.03Å; T1136-Q1139 VanDerWaalsContact OG1-N 3.07Å; Q1139-S1141 PolarHBondContact O-N 3.5Å; Q1139-R1142 PolarHBondContact O-N 2.91Å
1140	A	90.3	Very high	89.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-54.6	-40.8	176.8	0	0	0	0	0	112.3	I1109 L1129 P1134 T1136 I1137 R1142 I1143 I1151 L1154	I1109-A1140 HydrophobicContact CD1-CB 3.95Å; L1129-A1140 HydrophobicContact CD2-CB 3.87Å; P1134-A1140 HydrophobicContact CB-CB 4.1Å; P1134-A1140 HydrophobicContact CG-CB 3.77Å; T1136-A1140 PolarHBondContact O-N 3.49Å; I1137-A1140 PolarHBondContact O-N 3.47Å; A1140-R1142 PolarHBondContact O-N 3.45Å; A1140-R1142 VanDerWaalsContact O-N 3.15Å; A1140-I1143 WeakPolarHBondContact O-CB 3.33Å; A1140-I1143 PolarHBondContact O-N 2.97Å; A1140-I1143 VanDerWaalsContact O-N 3.16Å; A1140-I1151 HydrophobicContact CB-CD1 3.69Å; A1140-L1154 HydrophobicContact CB-CD2 4.19Å
1141	S	89.5	Confident	89.1	Confident	48 Å²	48	35.7 Å²	35.7	34%	0.336	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.1	179.8	75.4	0	0	0	0	115	I1137 A1138 Q1139	I1137-S1141 PolarHBondContact O-N 3.15Å; A1138-S1141 PolarHBondContact O-N 3.39Å; A1138-S1141 PolarHBondContact O-OG 3.37Å; Q1139-S1141 PolarHBondContact O-N 3.5Å
1142	R	88.8	Confident	89.1	Confident	44 Å²	44	33.7 Å²	33.7	17%	0.166	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-6.1	178.2	-70.2	-173.9	-70.3	-82.9	7.9	113.3	D955 T959 A1138 Q1139 A1140 S1144	D955-R1142 IonicContact OD1-NE 3.13Å; D955-R1142 PolarHBondContact OD1-NE 3.31Å; D955-R1142 VanDerWaalsContact OD1-NE 3.11Å; D955-R1142 IonicContact OD2-CZ 3.8Å; D955-R1142 VanDerWaalsContact OD2-CZ 3.31Å; D955-R1142 IonicContact OD2-NE 3.02Å; D955-R1142 PolarHBondContact OD2-NE 3.26Å; D955-R1142 VanDerWaalsContact OD2-NE 3.09Å; D955-R1142 IonicContact OD2-NH2 2.85Å; D955-R1142 PolarHBondContact OD2-NH2 3.2Å; T959-R1142 HydrophobicContact CG2-CB 4.16Å; A1138-R1142 VanDerWaalsContact O-CZ 3.31Å; A1138-R1142 PolarHBondContact O-NH1 2.84Å; Q1139-R1142 PolarHBondContact O-N 2.91Å; A1140-R1142 PolarHBondContact O-N 3.45Å; A1140-R1142 VanDerWaalsContact O-N 3.15Å; R1142-S1144 PolarHBondContact O-N 3.24Å
1143	I	89.7	Confident	89.2	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.021	22%	0.22	C	C	.	.	S	Bend	trans	-67.3	127.4	175.9	-65.4	175.1	0	0	0	108.7	T959 K1128 L1129 I1132 P1134 A1140 G1145 V1146	T959-I1143 HydrophobicContact CG2-CG1 3.65Å; K1128-I1143 HydrophobicContact CB-CG2 3.73Å; K1128-I1143 HydrophobicContact CG-CG2 4.46Å; L1129-I1143 HydrophobicContact CD2-CD1 4.02Å; I1132-I1143 HydrophobicContact CB-CD1 3.96Å; I1132-I1143 HydrophobicContact CD1-CB 4.24Å; I1132-I1143 HydrophobicContact CD1-CD1 3.9Å; I1132-I1143 HydrophobicContact CD1-CG1 3.87Å; I1132-I1143 HydrophobicContact CD1-CG2 3.41Å; I1132-I1143 VanDerWaalsContact CD1-CG2 3.41Å; I1132-I1143 HydrophobicContact CG2-CD1 3.84Å; I1132-I1143 HydrophobicContact CG2-CG1 4.29Å; P1134-I1143 HydrophobicContact CB-CD1 4.07Å; P1134-I1143 HydrophobicContact CG-CD1 3.77Å; A1140-I1143 WeakPolarHBondContact O-CB 3.33Å; A1140-I1143 PolarHBondContact O-N 2.97Å; A1140-I1143 VanDerWaalsContact O-N 3.16Å; I1143-G1145 PolarHBondContact O-N 3.44Å; I1143-V1146 HydrophobicContact CB-CB 4.22Å; I1143-V1146 HydrophobicContact CB-CG2 3.76Å; I1143-V1146 HydrophobicContact CG2-CB 4.49Å; I1143-V1146 HydrophobicContact CG2-CG2 3.62Å; I1143-V1146 PolarHBondContact O-N 2.86Å; I1143-V1146 VanDerWaalsContact O-N 3.14Å
1144	S	84.8	Confident	89.2	Confident	94 Å²	94	32.8 Å²	32.8	66%	0.657	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	127.1	175.1	-170.2	0	0	0	0	110.4	R1142	R1142-S1144 PolarHBondContact O-N 3.24Å
1145	G	85.3	Confident	89	Confident	19 Å²	19	35.3 Å²	35.3	20%	0.196	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.9	-8.2	-176.4	0	0	0	0	0	114.6	I1143	I1143-G1145 PolarHBondContact O-N 3.44Å
1146	V	90	Very high	88.9	Confident	11 Å²	11	37.1 Å²	37.1	7%	0.067	23%	0.232	C	C	.	.			trans	-97.3	115.5	175.3	-178.2	0	0	0	0	109.7	A1125 K1128 L1129 I1143 D1150 I1151	A1125-V1146 HydrophobicContact CB-CG2 4.22Å; K1128-V1146 HydrophobicContact CB-CG2 4.29Å; L1129-V1146 HydrophobicContact CD2-CG2 4.29Å; L1129-V1146 HydrophobicContact CG-CG2 4.11Å; I1143-V1146 HydrophobicContact CB-CB 4.22Å; I1143-V1146 HydrophobicContact CB-CG2 3.76Å; I1143-V1146 HydrophobicContact CG2-CB 4.49Å; I1143-V1146 HydrophobicContact CG2-CG2 3.62Å; I1143-V1146 PolarHBondContact O-N 2.86Å; I1143-V1146 VanDerWaalsContact O-N 3.14Å; V1146-D1150 HydrophobicContact CG1-CB 3.95Å; V1146-I1151 HydrophobicContact CG1-CD1 3.55Å; V1146-I1151 HydrophobicContact CG1-CG1 3.98Å
1147	N	90.5	Very high	88.9	Confident	91 Å²	91	37.8 Å²	37.8	49%	0.487	23%	0.232	S	C	.	.			trans	-91.1	163.9	-174.6	-64.3	-59.4	0	0	0	112.3	A1149 D1150 I1151	N1147-A1149 PolarHBondContact O-N 3Å; N1147-A1149 VanDerWaalsContact O-N 3.11Å; N1147-D1150 WeakPolarHBondContact CB-OD2 3.19Å; N1147-D1150 PolarHBondContact N-OD2 2.91Å; N1147-D1150 WeakPolarHBondContact O-CB 3.49Å; N1147-D1150 PolarHBondContact O-N 3.46Å; N1147-I1151 PolarHBondContact O-N 3.44Å; N1147-I1151 VanDerWaalsContact O-N 3.16Å
1148	P	88.5	Confident	88.8	Confident	107 Å²	107	39 Å²	39	70%	0.695	24%	0.24	S	C	*	.	H	α-helix	trans	-56.6	-28.7	176.9	-27.6	35.9	0	0	0	114.8	S1152	P1148-S1152 PolarHBondContact O-N 3.31Å; P1148-S1152 VanDerWaalsContact O-N 3.08Å; P1148-S1152 PolarHBondContact O-OG 3.19Å
1149	A	90.4	Very high	88.9	Confident	62 Å²	62	44.9 Å²	44.9	51%	0.512	27%	0.267	S	S	.	.	H	α-helix	trans	-67.5	-45.4	174.9	0	0	0	0	0	111.6	N1147 I1151 S1152 I1153	N1147-A1149 PolarHBondContact O-N 3Å; N1147-A1149 VanDerWaalsContact O-N 3.11Å; A1149-I1151 VanDerWaalsContact C-N 3.29Å; A1149-I1151 PolarHBondContact O-N 2.9Å; A1149-S1152 WeakPolarHBondContact O-CB 3.4Å; A1149-S1152 PolarHBondContact O-N 3.16Å; A1149-S1152 VanDerWaalsContact O-N 3.11Å; A1149-I1153 WeakPolarHBondContact O-CG1 3.43Å; A1149-I1153 PolarHBondContact O-N 2.76Å
1150	D	92.6	Very high	88.7	Confident	9 Å²	9	51.1 Å²	51.1	5%	0.048	30%	0.296	C	S	.	.	H	α-helix	trans	-59.4	-42.2	176.6	-58.7	-58.9	0	0	0	110.9	L1121 A1122 A1125 V1146 N1147 S1152 I1153 L1154	L1121-D1150 HydrophobicContact CD2-CB 3.82Å; L1121-D1150 WeakPolarHBondContact CD2-O 3.46Å; A1122-D1150 PolarHBondContact N-OD1 3.49Å; A1125-D1150 HydrophobicContact CB-CB 4.01Å; V1146-D1150 HydrophobicContact CG1-CB 3.95Å; N1147-D1150 WeakPolarHBondContact CB-OD2 3.19Å; N1147-D1150 PolarHBondContact N-OD2 2.91Å; N1147-D1150 WeakPolarHBondContact O-CB 3.49Å; N1147-D1150 PolarHBondContact O-N 3.46Å; D1150-S1152 VanDerWaalsContact C-N 3.34Å; D1150-S1152 PolarHBondContact O-N 2.98Å; D1150-I1153 PolarHBondContact O-N 3.12Å; D1150-L1154 WeakPolarHBondContact O-CB 3.45Å; D1150-L1154 PolarHBondContact O-N 3.41Å
1151	I	89.6	Confident	88.1	Confident	14 Å²	14	53.7 Å²	53.7	7%	0.072	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-40.2	175.8	-62.8	-57.2	0	0	0	112.3	I1137 A1140 V1146 N1147 A1149 L1154 M1155	I1137-I1151 HydrophobicContact CG2-CG2 3.71Å; A1140-I1151 HydrophobicContact CB-CD1 3.69Å; V1146-I1151 HydrophobicContact CG1-CD1 3.55Å; V1146-I1151 HydrophobicContact CG1-CG1 3.98Å; N1147-I1151 PolarHBondContact O-N 3.44Å; N1147-I1151 VanDerWaalsContact O-N 3.16Å; A1149-I1151 VanDerWaalsContact C-N 3.29Å; A1149-I1151 PolarHBondContact O-N 2.9Å; I1151-L1154 PolarHBondContact O-N 3.07Å; I1151-M1155 VanDerWaalsContact O-CB 3.23Å; I1151-M1155 WeakPolarHBondContact O-CB 3.42Å; I1151-M1155 PolarHBondContact O-N 3.41Å
1152	S	88.4	Confident	87.7	Confident	64 Å²	64	60.5 Å²	60.5	45%	0.448	35%	0.347	S	S	.	.	H	α-helix	trans	-64.9	-42.8	177.7	-57.6	0	0	0	0	110.9	P1148 A1149 D1150 M1155 V1156	P1148-S1152 PolarHBondContact O-N 3.31Å; P1148-S1152 VanDerWaalsContact O-N 3.08Å; P1148-S1152 PolarHBondContact O-OG 3.19Å; A1149-S1152 WeakPolarHBondContact O-CB 3.4Å; A1149-S1152 PolarHBondContact O-N 3.16Å; A1149-S1152 VanDerWaalsContact O-N 3.11Å; D1150-S1152 VanDerWaalsContact C-N 3.34Å; D1150-S1152 PolarHBondContact O-N 2.98Å; S1152-M1155 PolarHBondContact O-N 3.35Å; S1152-V1156 VanDerWaalsContact O-CG2 3.29Å; S1152-V1156 WeakPolarHBondContact O-CG2 3.34Å; S1152-V1156 PolarHBondContact O-N 3.48Å
1153	I	90.6	Very high	87.4	Confident	55 Å²	55	60.2 Å²	60.2	28%	0.282	35%	0.348	S	S	.	.	H	α-helix	trans	-63.5	-49	176.5	-66.6	169.1	0	0	0	110.7	I1118 G1120 L1121 A1149 D1150 M1155 V1156 Y1157	I1118-I1153 HydrophobicContact CG2-CG2 3.89Å; G1120-I1153 WeakPolarHBondContact O-CD1 3.41Å; L1121-I1153 HydrophobicContact CD2-CB 4.12Å; L1121-I1153 HydrophobicContact CD2-CG2 4.02Å; L1121-I1153 HydrophobicContact CG-CG2 4.29Å; A1149-I1153 WeakPolarHBondContact O-CG1 3.43Å; A1149-I1153 PolarHBondContact O-N 2.76Å; D1150-I1153 PolarHBondContact O-N 3.12Å; I1153-M1155 VanDerWaalsContact C-N 3.32Å; I1153-M1155 PolarHBondContact O-N 3.11Å; I1153-V1156 PolarHBondContact O-N 2.77Å; I1153-Y1157 WeakPolarHBondContact O-CB 3.34Å; I1153-Y1157 PolarHBondContact O-N 3.41Å
1154	L	90.3	Very high	87.3	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-58.9	-43.7	177.7	179.3	60.9	0	0	0	111.5	I1109 I1113 Y1115 I1118 L1129 I1137 A1140 D1150 I1151 Y1157 V1158	I1109-L1154 HydrophobicContact CD1-CD2 3.89Å; I1113-L1154 HydrophobicContact CD1-CD1 4.16Å; Y1115-L1154 HydrophobicContact CD1-CD1 4.34Å; Y1115-L1154 HydrophobicContact CE1-CD1 3.9Å; Y1115-L1154 HydrophobicContact CE1-CD2 4.36Å; I1118-L1154 HydrophobicContact CD1-CD1 3.65Å; L1129-L1154 HydrophobicContact CD1-CD2 4.42Å; L1129-L1154 HydrophobicContact CD2-CD2 4.32Å; I1137-L1154 HydrophobicContact CD1-CD2 3.99Å; I1137-L1154 HydrophobicContact CD1-CG 3.89Å; A1140-L1154 HydrophobicContact CB-CD2 4.19Å; D1150-L1154 WeakPolarHBondContact O-CB 3.45Å; D1150-L1154 PolarHBondContact O-N 3.41Å; I1151-L1154 PolarHBondContact O-N 3.07Å; L1154-Y1157 PolarHBondContact O-N 3.48Å; L1154-V1158 HydrophobicContact CD1-CG2 4.28Å; L1154-V1158 WeakPolarHBondContact O-CG2 3.36Å; L1154-V1158 PolarHBondContact O-N 2.86Å
1155	M	87.6	Confident	87.3	Confident	58 Å²	58	62.5 Å²	62.5	29%	0.286	35%	0.353	S	S	.	.	H	α-helix	trans	-62.8	-45.5	178.2	-174	177.6	69.2	0	0	111.8	K1107 I1137 I1151 S1152 I1153 Y1157 V1158 E1159	K1107-M1155 HydrophobicContact CD-CG 4.29Å; K1107-M1155 HydrophobicContact CD-SD 4.16Å; K1107-M1155 PolarHBondContact NZ-SD 2.81Å; I1137-M1155 HydrophobicContact CD1-CB 4.44Å; I1151-M1155 VanDerWaalsContact O-CB 3.23Å; I1151-M1155 WeakPolarHBondContact O-CB 3.42Å; I1151-M1155 PolarHBondContact O-N 3.41Å; S1152-M1155 PolarHBondContact O-N 3.35Å; I1153-M1155 VanDerWaalsContact C-N 3.32Å; I1153-M1155 PolarHBondContact O-N 3.11Å; M1155-Y1157 VanDerWaalsContact C-N 3.32Å; M1155-Y1157 PolarHBondContact O-N 3.38Å; M1155-V1158 PolarHBondContact O-N 2.95Å; M1155-E1159 WeakPolarHBondContact O-CB 3.19Å; M1155-E1159 WeakPolarHBondContact O-CG 3.49Å; M1155-E1159 PolarHBondContact O-N 3.05Å
1156	V	87.5	Confident	87.1	Confident	71 Å²	71	63.7 Å²	63.7	43%	0.43	36%	0.356	S	S	.	.	H	α-helix	trans	-61.6	-42.1	175.9	170.6	0	0	0	0	110.8	S1152 I1153 E1159 Q1160	S1152-V1156 VanDerWaalsContact O-CG2 3.29Å; S1152-V1156 WeakPolarHBondContact O-CG2 3.34Å; S1152-V1156 PolarHBondContact O-N 3.48Å; I1153-V1156 PolarHBondContact O-N 2.77Å; V1156-E1159 PolarHBondContact O-N 3.26Å; V1156-Q1160 VanDerWaalsContact O-CG 3.32Å; V1156-Q1160 WeakPolarHBondContact O-CG 3.39Å; V1156-Q1160 PolarHBondContact O-N 2.83Å
1157	Y	88.8	Confident	86.3	Confident	33 Å²	33	69 Å²	69	13%	0.129	38%	0.384	C	S	.	.	H	α-helix	trans	-62.5	-45.7	178.7	-175.4	-96.6	0	0	0	112.1	I1113 I1118 I1153 L1154 M1155 E1159 Q1160 I1163 A1164	I1113-Y1157 HydrophobicContact CD1-CD1 4.06Å; I1113-Y1157 HydrophobicContact CD1-CE1 4.03Å; I1113-Y1157 HydrophobicContact CG1-CE1 4.39Å; I1118-Y1157 HydrophobicContact CD1-CD1 3.61Å; I1118-Y1157 HydrophobicContact CD1-CE1 3.88Å; I1118-Y1157 HydrophobicContact CD1-CG 4.1Å; I1118-Y1157 HydrophobicContact CG1-CD1 3.72Å; I1118-Y1157 HydrophobicContact CG1-CD2 4.15Å; I1118-Y1157 HydrophobicContact CG1-CE1 3.65Å; I1118-Y1157 HydrophobicContact CG1-CE2 4.1Å; I1118-Y1157 HydrophobicContact CG1-CG 3.96Å; I1118-Y1157 HydrophobicContact CG2-CD2 4.11Å; I1118-Y1157 HydrophobicContact CG2-CG 4.04Å; I1153-Y1157 WeakPolarHBondContact O-CB 3.34Å; I1153-Y1157 PolarHBondContact O-N 3.41Å; L1154-Y1157 PolarHBondContact O-N 3.48Å; M1155-Y1157 VanDerWaalsContact C-N 3.32Å; M1155-Y1157 PolarHBondContact O-N 3.38Å; Y1157-E1159 VanDerWaalsContact C-N 3.35Å; Y1157-E1159 PolarHBondContact O-N 3.3Å; Y1157-Q1160 PolarHBondContact O-N 2.9Å; Y1157-I1163 HydrophobicContact CD1-CG1 4.45Å; Y1157-I1163 HydrophobicContact CE1-CB 4.28Å; Y1157-I1163 HydrophobicContact CE1-CG1 4.13Å; Y1157-I1163 HydrophobicContact CE1-CG2 4.08Å; Y1157-A1164 PolarHBondContact OH-N 3.27Å
1158	V	87.1	Confident	84.8	Confident	29 Å²	29	68.7 Å²	68.7	18%	0.176	39%	0.389	C	S	.	.	H	α-helix	trans	-64.2	-39.4	176.6	173.1	0	0	0	0	111.3	P1110 I1113 L1154 M1155 Q1160 G1161 I1163	P1110-V1158 HydrophobicContact CG-CG1 4.43Å; I1113-V1158 HydrophobicContact CD1-CG2 4.2Å; L1154-V1158 HydrophobicContact CD1-CG2 4.28Å; L1154-V1158 WeakPolarHBondContact O-CG2 3.36Å; L1154-V1158 PolarHBondContact O-N 2.86Å; M1155-V1158 PolarHBondContact O-N 2.95Å; V1158-Q1160 VanDerWaalsContact C-N 3.34Å; V1158-Q1160 PolarHBondContact O-N 3.36Å; V1158-G1161 PolarHBondContact O-N 3.25Å; V1158-I1163 HydrophobicContact CG1-CD1 4.39Å
1159	E	86.1	Confident	83	Confident	122 Å²	122	72.7 Å²	72.7	57%	0.57	40%	0.399	S	S	*	.	H	α-helix	trans	-68.8	-27	177.8	-75.7	177	-177.5	0	0	113.6	K1107 M1155 V1156 Y1157 G1161	K1107-E1159 IonicContact NZ-OE1 3.37Å; K1107-E1159 PolarHBondContact NZ-OE1 3.08Å; M1155-E1159 WeakPolarHBondContact O-CB 3.19Å; M1155-E1159 WeakPolarHBondContact O-CG 3.49Å; M1155-E1159 PolarHBondContact O-N 3.05Å; V1156-E1159 PolarHBondContact O-N 3.26Å; Y1157-E1159 VanDerWaalsContact C-N 3.35Å; Y1157-E1159 PolarHBondContact O-N 3.3Å; E1159-G1161 PolarHBondContact O-N 2.77Å
1160	Q	85.6	Confident	80.8	Confident	138 Å²	138	74.8 Å²	74.8	65%	0.645	41%	0.405	S	S	*	.	H	α-helix	trans	-71.5	-16.9	175.4	-75.4	176.1	7.6	0	0	113.5	V1156 Y1157 V1158 K1162	V1156-Q1160 VanDerWaalsContact O-CG 3.32Å; V1156-Q1160 WeakPolarHBondContact O-CG 3.39Å; V1156-Q1160 PolarHBondContact O-N 2.83Å; Y1157-Q1160 PolarHBondContact O-N 2.9Å; V1158-Q1160 VanDerWaalsContact C-N 3.34Å; V1158-Q1160 PolarHBondContact O-N 3.36Å; Q1160-K1162 PolarHBondContact O-N 2.71Å
1161	G	78.6	Confident	78.3	Confident	55 Å²	55	81.8 Å²	81.8	57%	0.567	44%	0.441	S	S	*	.			trans	75.3	-16.6	170.4	0	0	0	0	0	117	V1158 E1159 I1163	V1158-G1161 PolarHBondContact O-N 3.25Å; E1159-G1161 PolarHBondContact O-N 2.77Å; G1161-I1163 PolarHBondContact O-N 3.48Å; G1161-I1163 VanDerWaalsContact O-N 3.17Å
1162	K	80.7	Confident	77.7	Confident	191 Å²	191	85.2 Å²	85.2	83%	0.83	46%	0.459	S	S	*	.			trans	-86.5	76.1	174.7	-68.9	-174	-179	-179.1	0	111.3	Q1160	Q1160-K1162 PolarHBondContact O-N 2.71Å
1163	I	83.2	Confident	77.2	Confident	38 Å²	38	86.3 Å²	86.3	20%	0.195	46%	0.46	C	S	.	.			trans	-98.5	119.4	-169.5	-61.5	171.6	0	0	0	109.9	P1110 I1113 Y1157 V1158 G1161	P1110-I1163 HydrophobicContact CB-CD1 4.32Å; P1110-I1163 HydrophobicContact CG-CD1 3.56Å; I1113-I1163 HydrophobicContact CB-CG2 4.28Å; I1113-I1163 HydrophobicContact CD1-CG2 3.85Å; I1113-I1163 HydrophobicContact CG1-CG2 3.73Å; Y1157-I1163 HydrophobicContact CD1-CG1 4.45Å; Y1157-I1163 HydrophobicContact CE1-CB 4.28Å; Y1157-I1163 HydrophobicContact CE1-CG1 4.13Å; Y1157-I1163 HydrophobicContact CE1-CG2 4.08Å; V1158-I1163 HydrophobicContact CG1-CD1 4.39Å; G1161-I1163 PolarHBondContact O-N 3.48Å; G1161-I1163 VanDerWaalsContact O-N 3.17Å
1164	A	86.6	Confident	76.4	Confident	36 Å²	36	88 Å²	88	30%	0.298	47%	0.47	S	S	.	.			trans	-68.6	142.9	169.9	0	0	0	0	0	109.9	D1114 A1117 Y1157	D1114-A1164 HydrophobicContact CB-CB 4.06Å; D1114-A1164 PolarHBondContact N-O 3.02Å; A1117-A1164 HydrophobicContact CB-CB 3.5Å; A1117-A1164 VanDerWaalsContact CB-CB 3.5Å; Y1157-A1164 PolarHBondContact OH-N 3.27Å
1165	K	85	Confident	75.6	Confident	110 Å²	110	93.2 Å²	93.2	48%	0.478	50%	0.497	S	S	.	.	B	Isolated β-bridge	trans	-128.4	148.4	179.5	-66.3	-170.6	177.2	-165.9	0	111.5	E1111 R1112	E1111-K1165 WeakPolarHBondContact O-CE 3.4Å; R1112-K1165 HydrophobicContact CB-CB 4.46Å; R1112-K1165 CarbonylContact O-C 3.52Å; R1112-K1165 WeakPolarHBondContact O-CA 3.28Å; R1112-K1165 WeakPolarHBondContact O-CB 3.28Å
1166	V	82.7	Confident	74.9	Confident	43 Å²	43	95.4 Å²	95.4	26%	0.261	51%	0.51	S	S	.	.			trans	-79.5	142.9	173	-166.8	0	0	0	0	109.7	R1112 D1114 I1171	R1112-V1166 PolarHBondContact O-N 2.86Å; D1114-V1166 HydrophobicContact CB-CG2 3.87Å; V1166-I1171 HydrophobicContact CG1-CG1 4.49Å
1167	D	72.1	Confident	74	Confident	123 Å²	123	97 Å²	97	66%	0.658	52%	0.516	S	S	*	.			trans	-67.3	149	176.3	-81.1	-30.9	0	0	0	111.7	E1169 T1170	D1167-E1169 VanDerWaalsContact C-N 3.32Å; D1167-E1169 PolarHBondContact O-N 3.39Å; D1167-T1170 PolarHBondContact O-N 3.02Å; D1167-T1170 PolarHBondContact O-OG1 3.14Å
1168	S	58.3	Low	73	Confident	84 Å²	84	101.6 Å²	101.6	59%	0.587	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-67.3	-25.8	-173.8	45.3	0	0	0	0	114.6	T1170	S1168-T1170 VanDerWaalsContact C-N 3.28Å
1169	E	50.6	Low	71.9	Confident	192 Å²	192	107.2 Å²	107.2	90%	0.897	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-79.9	-10.4	178.3	-68.1	-178.2	173.9	0	0	113	D1167	D1167-E1169 VanDerWaalsContact C-N 3.32Å; D1167-E1169 PolarHBondContact O-N 3.39Å
1170	T	45.5	Very low	70.7	Confident	105 Å²	105	105.9 Å²	105.9	64%	0.644	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-92.8	-8.7	-176.4	0.5	0	0	0	0	114.3	D1167 S1168	D1167-T1170 PolarHBondContact O-N 3.02Å; D1167-T1170 PolarHBondContact O-OG1 3.14Å; S1168-T1170 VanDerWaalsContact C-N 3.28Å
1171	I	39.7	Very low	69.4	Low	156 Å²	156	103 Å²	103	80%	0.8	57%	0.565	S	S	*	*			trans	-106.3	0	178.5	-54.8	175	0	0	0	107.2	R1112 V1166	R1112-I1171 HydrophobicContact CB-CD1 4.41Å; R1112-I1171 HydrophobicContact CG-CD1 3.85Å; V1166-I1171 HydrophobicContact CG1-CG1 4.49Å

Retrieved 1,171 of 1,171 residues in 961 ms (Link to these results)

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