A0A077YY06_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077YY06, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 861 aa.

						>A0A077YY06_TRITR|A0A077YY06
MLLLLQELDVAARLFSIYRNSVFVSTIDGTLYVLDSVSGDVQTIIRQPPILKTSMVHQNAMVFLPDPQDGSLYQLFQGRLQKLPLTIPALVHASPCKSSDGLLFAGSKHDSWLVFVPGVDQGYTIQQLDEQDGMVCPTIDNTELFIGRSEYKLRIMDINDGRRRWNLTYVQYASKNAPAQSDYAFEHYSSCSDGLLVTVDSATGRIMWKRNFKSIVIGMYQLHSDGLRRLQLHVLGSDTLQRLIADQLFSSAVRDPFLSPVEPLRPAMFVGKHSSSLYALNPLVDRKTVVFSPRNRALPLLEGPTAVQVPTHSSDDAQVGLHVAVESWQHLLEDNSTDSIDPPVFYGYYKLPPLTESKFFLLTSKLPSLLPQLSYIAHEVNSDEPASSVSAKRWLKDRVEALLLAALIWVFVAKFNSACRFVKFLIRFGLRRAVTSSLDRDEGTTVGRIWFDAGQVLGHGCNGTIVYKGVFDGRDVAVKRIFREYSAKAQREVKLLRESDSHRNVVRYFCMETDKLYCYIALQLCQCTLQHYVEDADLRGQISVKPKMLLEQTTLGLAHLHKLKIGEFCLCTLFFLLEINMIILPSDSKMHRDLKPQNVLLYCSSSDGQPVAMISDFDLGQQLYSRNWNGRFSTAGTEGWMAPEVIKGESVCCLSDIFSLGCLYHYVLTTGEHPFGEAALRQSNILVGNFTLQEQLIQQEGRDLIGDMIHSDSLLRPTAVQAIHHPFFWSKQKQLSFLQDISDRVEKVDSNDEIVQRLEMNGRNVVGGNWQNRICEALQDDLRRFRSYRGRSIRDLLRALRNKRHHYHELSPEVRNALGSIPDQFVDYFTGRFPLLLMHVYKAGQLLRNEDIFASYYYALS
					

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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	35.4	Very low	40.5	Very low	206 Å²	206	121.5 Å²	121.5	100%	1.015	63%	0.632	S	S	*	*				0	-35.2	0	-127.1	177.9	82.7	0	0	113.3
2	L	32.4	Very low	41.4	Very low	161 Å²	161	115.9 Å²	115.9	84%	0.843	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-78.1	-15.3	168.6	-96.3	137.4	0	0	0	114.7
3	L	36.6	Very low	42.3	Very low	144 Å²	144	119.3 Å²	119.3	75%	0.754	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-81.7	-8.8	173.1	-86.7	147.9	0	0	0	114.5
4	L	38	Very low	43.2	Very low	113 Å²	113	112.4 Å²	112.4	59%	0.592	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-86.4	-8.9	-179.2	-104	137.2	0	0	0	113.8
5	L	33.2	Very low	44.1	Very low	120 Å²	120	109.7 Å²	109.7	63%	0.628	56%	0.563	S	S	*	*	S	Bend	trans	-91.9	-19.9	-177.3	-75.5	163.3	0	0	0	113.5	L8	L5-L8 HydrophobicContact CD2-CD1 4.18Å
6	Q	37.1	Very low	45	Very low	151 Å²	151	108.3 Å²	108.3	71%	0.706	57%	0.566	S	S	*	*	S	Bend	trans	-79.5	-27.7	175.3	-83.4	179.5	-35.5	0	0	113.1	L8	Q6-L8 VanDerWaalsContact C-N 3.32Å; Q6-L8 PolarHBondContact O-N 2.97Å
7	E	44.5	Very low	45.9	Very low	138 Å²	138	107.3 Å²	107.3	65%	0.645	56%	0.56	S	S	*	*	H	α-helix	trans	-71.4	-24.7	176.1	-72	-169.1	160.1	0	0	113.4	D9 A11	E7-D9 PolarHBondContact O-N 3.14Å; E7-A11 PolarHBondContact O-N 3.49Å
8	L	44.3	Very low	47	Very low	117 Å²	117	102.2 Å²	102.2	61%	0.613	53%	0.532	S	S	*	.	H	α-helix	trans	-69.3	-30.1	-179.2	-83.7	158.3	0	0	0	113.1	L5 Q6 A12	L5-L8 HydrophobicContact CD2-CD1 4.18Å; Q6-L8 VanDerWaalsContact C-N 3.32Å; Q6-L8 PolarHBondContact O-N 2.97Å; L8-A12 WeakPolarHBondContact O-CB 3.3Å; L8-A12 PolarHBondContact O-N 3.09Å
9	D	48.7	Very low	48.1	Very low	106 Å²	106	105.3 Å²	105.3	57%	0.567	54%	0.536	S	S	*	.	H	α-helix	trans	-82	-27	-176.2	-144.7	23.4	0	0	0	112.3	E7 R13	E7-D9 PolarHBondContact O-N 3.14Å; D9-R13 PolarHBondContact O-N 3Å
10	V	47.3	Very low	49.7	Very low	34 Å²	34	104.7 Å²	104.7	21%	0.206	53%	0.534	C	S	.	.	H	α-helix	trans	-78.1	-46.2	179.8	-178.4	0	0	0	0	111.3	A12 R13 L14 I139	V10-A12 PolarHBondContact O-N 2.97Å; V10-R13 PolarHBondContact O-N 3.07Å; V10-L14 PolarHBondContact O-N 3.26Å; V10-I139 HydrophobicContact CG1-CG2 4.27Å
11	A	48.7	Very low	51.4	Low	47 Å²	47	99.9 Å²	99.9	39%	0.388	51%	0.51	S	S	.	.	H	α-helix	trans	-58.8	-36.2	173.5	0	0	0	0	0	111.1	E7 F15	E7-A11 PolarHBondContact O-N 3.49Å; A11-F15 WeakPolarHBondContact O-CB 3.32Å; A11-F15 PolarHBondContact O-N 2.78Å
12	A	50.2	Low	54.1	Low	54 Å²	54	90 Å²	90	45%	0.446	46%	0.461	S	S	.	.	H	α-helix	trans	-64.8	-38.6	177.3	0	0	0	0	0	113.4	L8 V10 S16	L8-A12 WeakPolarHBondContact O-CB 3.3Å; L8-A12 PolarHBondContact O-N 3.09Å; V10-A12 PolarHBondContact O-N 2.97Å; A12-S16 VanDerWaalsContact O-CB 3.26Å; A12-S16 WeakPolarHBondContact O-CB 3.48Å; A12-S16 PolarHBondContact O-N 2.99Å
13	R	53.9	Low	56.9	Low	160 Å²	160	82.4 Å²	82.4	60%	0.604	42%	0.421	S	S	*	.	H	α-helix	trans	-69.8	-46.7	179.1	-74.9	-177.1	-176.9	-167.3	1.6	113	D9 V10 S16 I17	D9-R13 PolarHBondContact O-N 3Å; V10-R13 PolarHBondContact O-N 3.07Å; R13-S16 WeakPolarHBondContact O-CB 3.39Å; R13-S16 PolarHBondContact O-N 3.4Å; R13-I17 WeakPolarHBondContact O-CG1 3.16Å; R13-I17 PolarHBondContact O-N 3.22Å
14	L	54.8	Low	59.6	Low	22 Å²	22	75.5 Å²	75.5	12%	0.115	39%	0.385	C	S	.	.	H	α-helix	trans	-67.5	-39.8	176.5	-76.8	166.5	0	0	0	111.6	V10 S16 I17 Y18 E143 L144	V10-L14 PolarHBondContact O-N 3.26Å; L14-S16 VanDerWaalsContact C-N 3.25Å; L14-S16 PolarHBondContact O-N 3.02Å; L14-I17 PolarHBondContact O-N 2.96Å; L14-Y18 HydrophobicContact CD2-CE2 4.43Å; L14-Y18 PolarHBondContact O-N 3.2Å; L14-E143 WeakPolarHBondContact CD1-O 3.17Å; L14-L144 HydrophobicContact CD2-CB 4.47Å
15	F	56.3	Low	62.2	Low	73 Å²	73	70.1 Å²	70.1	32%	0.32	36%	0.357	S	S	.	.	H	α-helix	trans	-63.3	-32.9	173.2	-168.4	-98.3	0	0	0	111.7	A11 R19	A11-F15 WeakPolarHBondContact O-CB 3.32Å; A11-F15 PolarHBondContact O-N 2.78Å; F15-R19 HydrophobicContact CD1-CG 4.38Å; F15-R19 HydrophobicContact CE1-CG 3.99Å; F15-R19 WeakPolarHBondContact O-CA 3.15Å; F15-R19 WeakPolarHBondContact O-CB 3.07Å; F15-R19 PolarHBondContact O-N 2.94Å
16	S	58.5	Low	65.1	Low	87 Å²	87	64.4 Å²	64.4	61%	0.608	33%	0.327	S	S	*	.	H	α-helix	trans	-65.4	-42.7	172.1	173.3	0	0	0	0	112.4	A12 R13 L14	A12-S16 VanDerWaalsContact O-CB 3.26Å; A12-S16 WeakPolarHBondContact O-CB 3.48Å; A12-S16 PolarHBondContact O-N 2.99Å; R13-S16 WeakPolarHBondContact O-CB 3.39Å; R13-S16 PolarHBondContact O-N 3.4Å; L14-S16 VanDerWaalsContact C-N 3.25Å; L14-S16 PolarHBondContact O-N 3.02Å
17	I	60.5	Low	67.6	Low	91 Å²	91	57.3 Å²	57.3	47%	0.467	29%	0.294	S	S	.	.	H	α-helix	trans	-67.3	-44.1	-178.1	-66.7	164.8	0	0	0	110.9	R13 L14	R13-I17 WeakPolarHBondContact O-CG1 3.16Å; R13-I17 PolarHBondContact O-N 3.22Å; L14-I17 PolarHBondContact O-N 2.96Å
18	Y	66.4	Low	69.7	Low	15 Å²	15	52.9 Å²	52.9	6%	0.059	28%	0.275	C	S	.	.	S	Bend	trans	-102.5	13.5	-175.6	-65.2	-72.5	0	0	0	113.9	L14 N20 S21 F23 V33 P117 L144 L222	L14-Y18 HydrophobicContact CD2-CE2 4.43Å; L14-Y18 PolarHBondContact O-N 3.2Å; Y18-N20 PolarHBondContact O-N 3.44Å; Y18-S21 WeakPolarHBondContact CA-OG 3.47Å; Y18-S21 WeakPolarHBondContact O-CB 3.39Å; Y18-S21 PolarHBondContact O-N 3.3Å; Y18-F23 HydrophobicContact CD1-CZ 4.32Å; Y18-V33 HydrophobicContact CD1-CG1 4.1Å; Y18-V33 HydrophobicContact CE1-CG1 4.05Å; Y18-P117 HydrophobicContact CE2-CG 4.13Å; Y18-L144 HydrophobicContact CD2-CD2 4.18Å; Y18-L144 HydrophobicContact CE2-CB 4.25Å; Y18-L144 HydrophobicContact CE2-CD2 3.86Å; Y18-L222 HydrophobicContact CD2-CD2 4.13Å; Y18-L222 HydrophobicContact CG-CD2 4.3Å
19	R	67.9	Low	71.7	Confident	162 Å²	162	47.3 Å²	47.3	61%	0.611	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-40.1	-175.9	-160.8	174.7	177	175.5	-1.4	112.2	F15	F15-R19 HydrophobicContact CD1-CG 4.38Å; F15-R19 HydrophobicContact CE1-CG 3.99Å; F15-R19 WeakPolarHBondContact O-CA 3.15Å; F15-R19 WeakPolarHBondContact O-CB 3.07Å; F15-R19 PolarHBondContact O-N 2.94Å
20	N	79	Confident	73.6	Confident	93 Å²	93	42.9 Å²	42.9	50%	0.497	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	24.3	-179.2	-63.5	-8.8	0	0	0	111.1	Y18 D35 S36	Y18-N20 PolarHBondContact O-N 3.44Å; N20-D35 CarbonylContact O-C 3.47Å; N20-S36 WeakPolarHBondContact O-CB 3.3Å; N20-S36 PolarHBondContact O-N 3Å; N20-S36 PolarHBondContact O-OG 2.8Å; N20-S36 VanDerWaalsContact O-OG 3.08Å
21	S	86.4	Confident	75.6	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	140.9	179.7	-56.5	0	0	0	0	111.5	Y18 L34 Q42	Y18-S21 WeakPolarHBondContact CA-OG 3.47Å; Y18-S21 WeakPolarHBondContact O-CB 3.39Å; Y18-S21 PolarHBondContact O-N 3.3Å; S21-L34 CarbonylContact C-O 3.57Å; S21-L34 WeakPolarHBondContact CA-O 3.23Å; S21-Q42 PolarHBondContact OG-OE1 2.84Å
22	V	90.6	Very high	77.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.4	171.1	65.8	0	0	0	0	109.7	L34 W208 M219 L230	V22-L34 HydrophobicContact CG1-CB 3.88Å; V22-L34 HydrophobicContact CG1-CD1 4.34Å; V22-L34 HydrophobicContact CG1-CG 4.49Å; V22-L34 PolarHBondContact N-O 2.56Å; V22-L34 PolarHBondContact O-N 3.42Å; V22-W208 HydrophobicContact CG1-CZ2 4.39Å; V22-M219 HydrophobicContact CG1-CE 4.36Å; V22-M219 HydrophobicContact CG2-CE 3.5Å; V22-L230 HydrophobicContact CG2-CD1 3.63Å
23	F	91.5	Very high	79.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.4	-179.6	-66.5	-107.4	0	0	0	108.9	Y18 L31 Y32 V33 L144 I146 M219 Y220 L222 L227	Y18-F23 HydrophobicContact CD1-CZ 4.32Å; F23-L31 HydrophobicContact CB-CD1 4.1Å; F23-L31 HydrophobicContact CD1-CD2 4.08Å; F23-L31 HydrophobicContact CD1-CG 4.28Å; F23-Y32 CarbonylContact C-O 3.56Å; F23-Y32 VanDerWaalsContact CA-O 3.27Å; F23-Y32 WeakPolarHBondContact CA-O 3.24Å; F23-V33 HydrophobicContact CD1-CG2 3.73Å; F23-V33 HydrophobicContact CE1-CB 4.46Å; F23-V33 HydrophobicContact CE1-CG1 4.22Å; F23-V33 HydrophobicContact CE1-CG2 3.52Å; F23-V33 HydrophobicContact CE2-CG1 4.43Å; F23-V33 HydrophobicContact CZ-CG1 4.12Å; F23-V33 HydrophobicContact CZ-CG2 4.23Å; F23-L144 HydrophobicContact CE1-CD2 4.09Å; F23-L144 HydrophobicContact CZ-CD2 3.77Å; F23-I146 HydrophobicContact CD1-CD1 4.1Å; F23-I146 HydrophobicContact CE1-CD1 3.7Å; F23-I146 HydrophobicContact CZ-CD1 4.44Å; F23-M219 CarbonylContact O-C 3.47Å; F23-M219 VanDerWaalsContact O-CA 3.24Å; F23-M219 WeakPolarHBondContact O-CA 3.46Å; F23-Y220 HydrophobicContact CB-CD2 4.3Å; F23-Y220 PolarHBondContact N-O 2.89Å; F23-Y220 PolarHBondContact O-N 3.4Å; F23-L222 HydrophobicContact CE2-CB 3.95Å; F23-L227 HydrophobicContact CD1-CD2 4.36Å; F23-L227 HydrophobicContact CD2-CD2 3.7Å; F23-L227 HydrophobicContact CE2-CD2 3.96Å; F23-L227 HydrophobicContact CG-CD2 3.95Å; F23-L227 HydrophobicContact CZ-CD2 4.38Å
24	V	93.8	Very high	81.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.1	-179.7	-179.6	0	0	0	0	109.5	L31 Y32 L34 L196 F212 V216 M219	V24-L31 CarbonylContact O-C 3.49Å; V24-L31 WeakPolarHBondContact O-CA 3.41Å; V24-Y32 PolarHBondContact N-O 3.08Å; V24-Y32 PolarHBondContact O-N 2.67Å; V24-L34 HydrophobicContact CB-CD1 4.37Å; V24-L34 HydrophobicContact CG2-CD1 3.5Å; V24-L34 VanDerWaalsContact CG2-CD1 3.5Å; V24-L34 HydrophobicContact CG2-CG 4.21Å; V24-L196 HydrophobicContact CG1-CD2 4.1Å; V24-L196 HydrophobicContact CG2-CD2 3.99Å; V24-F212 HydrophobicContact CB-CZ 4.38Å; V24-F212 HydrophobicContact CG1-CD2 4.42Å; V24-F212 HydrophobicContact CG1-CE1 4.32Å; V24-F212 HydrophobicContact CG1-CE2 4.13Å; V24-F212 HydrophobicContact CG1-CZ 4.09Å; V24-F212 HydrophobicContact CG2-CZ 4.43Å; V24-V216 HydrophobicContact CG1-CB 4.37Å; V24-V216 HydrophobicContact CG1-CG1 3.58Å; V24-V216 HydrophobicContact CG1-CG2 3.89Å; V24-M219 HydrophobicContact CG2-CE 3.95Å; V24-M219 HydrophobicContact CG2-CG 4.25Å
25	S	93.2	Very high	83	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	131.8	178.4	-179.4	0	0	0	0	110.8	I50 I217 G218	S25-I50 WeakPolarHBondContact OG-CD1 3.33Å; S25-I217 WeakPolarHBondContact O-CG1 3.23Å; S25-I217 PolarHBondContact O-N 2.9Å; S25-G218 PolarHBondContact N-O 3.06Å; S25-G218 PolarHBondContact O-N 3.28Å
26	T	93.1	Very high	84.5	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	155	179.3	57	0	0	0	0	111.7	D28 G29 T30 Y32 I50 F212 I215 V216	T26-D28 PolarHBondContact O-N 3.01Å; T26-D28 VanDerWaalsContact O-N 3.12Å; T26-D28 PolarHBondContact OG1-OD1 3.46Å; T26-G29 PolarHBondContact O-N 2.72Å; T26-T30 PolarHBondContact N-O 2.83Å; T26-T30 WeakPolarHBondContact OG1-CB 3.3Å; T26-T30 PolarHBondContact OG1-N 2.88Å; T26-T30 PolarHBondContact OG1-O 2.87Å; T26-Y32 HydrophobicContact CG2-CD2 4.15Å; T26-Y32 HydrophobicContact CG2-CE2 3.8Å; T26-I50 WeakPolarHBondContact O-CD1 3.27Å; T26-F212 HydrophobicContact CG2-CB 3.93Å; T26-F212 HydrophobicContact CG2-CG 4.31Å; T26-I215 CarbonylContact C-O 3.5Å; T26-I215 WeakPolarHBondContact CA-O 3.27Å; T26-V216 HydrophobicContact CG2-CG2 4.32Å
27	I	90.2	Very high	86	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.01	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.8	-174.8	-165.7	167.6	0	0	0	113.9	G29 I50 L51 P67 I215 I217 H273 Y278	I27-G29 PolarHBondContact O-N 2.69Å; I27-I50 PolarHBondContact O-N 3.15Å; I27-L51 HydrophobicContact CD1-CD1 4.39Å; I27-P67 HydrophobicContact CD1-CB 4.17Å; I27-P67 HydrophobicContact CD1-CG 4.21Å; I27-P67 HydrophobicContact CG1-CB 4.38Å; I27-I215 HydrophobicContact CB-CB 4.32Å; I27-I215 HydrophobicContact CG2-CB 3.92Å; I27-I215 HydrophobicContact CG2-CG1 4.3Å; I27-I215 PolarHBondContact N-O 3.24Å; I27-I217 HydrophobicContact CB-CG2 3.9Å; I27-I217 HydrophobicContact CG1-CG2 4.46Å; I27-H273 HydrophobicContact CD1-CB 3.83Å; I27-H273 HydrophobicContact CG1-CB 4.25Å; I27-H273 HydrophobicContact CG2-CB 4.31Å; I27-Y278 HydrophobicContact CD1-CD1 3.52Å; I27-Y278 HydrophobicContact CD1-CD2 4.33Å; I27-Y278 HydrophobicContact CD1-CE1 3.62Å; I27-Y278 HydrophobicContact CD1-CE2 4.43Å; I27-Y278 HydrophobicContact CD1-CG 3.9Å
28	D	88.5	Confident	87.4	Confident	44 Å²	44	25.6 Å²	25.6	24%	0.235	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-4	175.8	66.6	32.6	0	0	0	114.7	T26 T30 P49 S214	T26-D28 PolarHBondContact O-N 3.01Å; T26-D28 VanDerWaalsContact O-N 3.12Å; T26-D28 PolarHBondContact OG1-OD1 3.46Å; D28-T30 WeakPolarHBondContact OD1-CB 3.45Å; D28-T30 PolarHBondContact OD1-N 3.29Å; D28-T30 PolarHBondContact OD1-OG1 3.28Å; D28-P49 VanDerWaalsContact O-CA 3.28Å; D28-P49 WeakPolarHBondContact O-CA 3.28Å; D28-S214 WeakPolarHBondContact OD2-CB 3.39Å; D28-S214 PolarHBondContact OD2-OG 2.92Å
29	G	86.7	Confident	88.5	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	99.1	-8.2	179.9	0	0	0	0	0	114.2	T26 I27 L31 Q47 P48	T26-G29 PolarHBondContact O-N 2.72Å; I27-G29 PolarHBondContact O-N 2.69Å; G29-L31 PolarHBondContact O-N 2.78Å; G29-Q47 VanDerWaalsContact O-CB 3.31Å; G29-Q47 WeakPolarHBondContact O-CB 3.43Å; G29-Q47 PolarHBondContact O-N 2.77Å; G29-P48 WeakPolarHBondContact CA-O 3.45Å
30	T	89.2	Confident	89.6	Confident	13 Å²	13	21.9 Å²	21.9	8%	0.08	12%	0.123	C	C	.	.			trans	-73.6	126.3	-178.7	-47.9	0	0	0	0	110.7	T26 D28 Y32 I44 I45	T26-T30 PolarHBondContact N-O 2.83Å; T26-T30 WeakPolarHBondContact OG1-CB 3.3Å; T26-T30 PolarHBondContact OG1-N 2.88Å; T26-T30 PolarHBondContact OG1-O 2.87Å; D28-T30 WeakPolarHBondContact OD1-CB 3.45Å; D28-T30 PolarHBondContact OD1-N 3.29Å; D28-T30 PolarHBondContact OD1-OG1 3.28Å; T30-Y32 HydrophobicContact CG2-CD2 3.97Å; T30-Y32 HydrophobicContact CG2-CE1 4.22Å; T30-Y32 HydrophobicContact CG2-CE2 3.42Å; T30-Y32 VanDerWaalsContact CG2-CE2 3.42Å; T30-I44 HydrophobicContact CG2-CG2 3.42Å; T30-I44 VanDerWaalsContact CG2-CG2 3.42Å; T30-I45 CarbonylContact C-O 3.55Å; T30-I45 WeakPolarHBondContact CA-O 3.17Å
31	L	89.5	Confident	90.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	110.6	173.6	-174.1	71.2	0	0	0	108.6	F23 V24 G29 I45 I146 Y172 Y220	F23-L31 HydrophobicContact CB-CD1 4.1Å; F23-L31 HydrophobicContact CD1-CD2 4.08Å; F23-L31 HydrophobicContact CD1-CG 4.28Å; V24-L31 CarbonylContact O-C 3.49Å; V24-L31 WeakPolarHBondContact O-CA 3.41Å; G29-L31 PolarHBondContact O-N 2.78Å; L31-I45 HydrophobicContact CB-CB 4.16Å; L31-I45 HydrophobicContact CD2-CD1 4.12Å; L31-I45 HydrophobicContact CG-CD1 4.5Å; L31-I45 PolarHBondContact N-O 3.41Å; L31-I45 WeakPolarHBondContact O-CB 3.45Å; L31-I45 PolarHBondContact O-N 3.33Å; L31-I146 HydrophobicContact CD2-CD1 4.25Å; L31-Y172 HydrophobicContact CD1-CE2 4.47Å; L31-Y220 HydrophobicContact CD1-CD2 4.5Å
32	Y	91.2	Very high	90	Very high	35 Å²	35	23.5 Å²	23.5	14%	0.137	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	135	177.2	-63	-97.7	0	0	0	109.4	F23 V24 T26 T30 V41 I44 F212	F23-Y32 CarbonylContact C-O 3.56Å; F23-Y32 VanDerWaalsContact CA-O 3.27Å; F23-Y32 WeakPolarHBondContact CA-O 3.24Å; V24-Y32 PolarHBondContact N-O 3.08Å; V24-Y32 PolarHBondContact O-N 2.67Å; T26-Y32 HydrophobicContact CG2-CD2 4.15Å; T26-Y32 HydrophobicContact CG2-CE2 3.8Å; T30-Y32 HydrophobicContact CG2-CD2 3.97Å; T30-Y32 HydrophobicContact CG2-CE1 4.22Å; T30-Y32 HydrophobicContact CG2-CE2 3.42Å; T30-Y32 VanDerWaalsContact CG2-CE2 3.42Å; Y32-V41 HydrophobicContact CD1-CG1 4.39Å; Y32-V41 HydrophobicContact CD1-CG2 4.13Å; Y32-I44 HydrophobicContact CD1-CD1 4.2Å; Y32-I44 HydrophobicContact CD1-CG1 3.84Å; Y32-I44 HydrophobicContact CD1-CG2 4.35Å; Y32-I44 HydrophobicContact CE1-CD1 3.89Å; Y32-I44 HydrophobicContact CE1-CG1 4Å; Y32-I44 HydrophobicContact CE1-CG2 4.13Å; Y32-F212 HydrophobicContact CD1-CD1 4Å; Y32-F212 AromaticContact CD1-CE1 3.93Å; Y32-F212 HydrophobicContact CD1-CE1 3.93Å; Y32-F212 AromaticContact CD2-CD1 3.56Å; Y32-F212 HydrophobicContact CD2-CD1 3.56Å; Y32-F212 AromaticContact CD2-CE1 3.86Å; Y32-F212 HydrophobicContact CD2-CE1 3.86Å; Y32-F212 HydrophobicContact CE1-CD1 4.04Å; Y32-F212 HydrophobicContact CE1-CE1 4.4Å; Y32-F212 AromaticContact CE2-CD1 3.61Å; Y32-F212 HydrophobicContact CE2-CD1 3.61Å; Y32-F212 HydrophobicContact CE2-CE1 4.34Å; Y32-F212 HydrophobicContact CE2-CG 4.48Å; Y32-F212 AromaticContact CG-CD1 3.77Å; Y32-F212 HydrophobicContact CG-CD1 3.77Å; Y32-F212 AromaticContact CG-CE1 3.64Å; Y32-F212 HydrophobicContact CG-CE1 3.64Å; Y32-F212 AromaticContact CZ-CD1 3.86Å
33	V	89.5	Confident	89.6	Confident	2 Å²	2	25 Å²	25	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.4	167.5	-169.3	0	0	0	0	107	Y18 F23 Q42 T43 I45	Y18-V33 HydrophobicContact CD1-CG1 4.1Å; Y18-V33 HydrophobicContact CE1-CG1 4.05Å; F23-V33 HydrophobicContact CD1-CG2 3.73Å; F23-V33 HydrophobicContact CE1-CB 4.46Å; F23-V33 HydrophobicContact CE1-CG1 4.22Å; F23-V33 HydrophobicContact CE1-CG2 3.52Å; F23-V33 HydrophobicContact CE2-CG1 4.43Å; F23-V33 HydrophobicContact CZ-CG1 4.12Å; F23-V33 HydrophobicContact CZ-CG2 4.23Å; V33-Q42 HydrophobicContact CG1-CB 4.5Å; V33-Q42 PolarHBondContact O-N 2.95Å; V33-T43 HydrophobicContact CG2-CG2 4.07Å; V33-T43 PolarHBondContact N-O 3.06Å; V33-T43 PolarHBondContact O-N 3.44Å; V33-I45 HydrophobicContact CG2-CD1 4.09Å
34	L	91.6	Very high	89.2	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	150.5	-177.4	-47.2	176	0	0	0	110.5	S21 V22 V24 S36 D40 V41 W208 F212	S21-L34 CarbonylContact C-O 3.57Å; S21-L34 WeakPolarHBondContact CA-O 3.23Å; V22-L34 HydrophobicContact CG1-CB 3.88Å; V22-L34 HydrophobicContact CG1-CD1 4.34Å; V22-L34 HydrophobicContact CG1-CG 4.49Å; V22-L34 PolarHBondContact N-O 2.56Å; V22-L34 PolarHBondContact O-N 3.42Å; V24-L34 HydrophobicContact CB-CD1 4.37Å; V24-L34 HydrophobicContact CG2-CD1 3.5Å; V24-L34 VanDerWaalsContact CG2-CD1 3.5Å; V24-L34 HydrophobicContact CG2-CG 4.21Å; L34-S36 PolarHBondContact O-N 2.95Å; L34-D40 CarbonylContact C-O 3.54Å; L34-D40 WeakPolarHBondContact CA-O 3.15Å; L34-V41 HydrophobicContact CD2-CB 3.99Å; L34-V41 HydrophobicContact CD2-CG2 3.27Å; L34-W208 HydrophobicContact CD1-CH2 3.83Å; L34-W208 HydrophobicContact CD1-CZ2 4.41Å; L34-W208 HydrophobicContact CD1-CZ3 4.34Å; L34-F212 HydrophobicContact CD1-CE1 4.3Å; L34-F212 HydrophobicContact CD1-CZ 3.66Å; L34-F212 HydrophobicContact CD2-CE1 4.27Å; L34-F212 HydrophobicContact CD2-CZ 4.35Å
35	D	89.6	Confident	88.6	Confident	36 Å²	36	28.7 Å²	28.7	19%	0.193	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	129.7	158.2	-175.3	85.3	0	0	0	109.5	N20 V37 S38 G39 D40	N20-D35 CarbonylContact O-C 3.47Å; D35-V37 VanDerWaalsContact C-N 3.26Å; D35-V37 PolarHBondContact O-N 2.84Å; D35-V37 WeakPolarHBondContact OD2-CA 2.96Å; D35-V37 WeakPolarHBondContact OD2-CB 3.14Å; D35-V37 PolarHBondContact OD2-N 3.45Å; D35-S38 PolarHBondContact OD2-N 2.66Å; D35-G39 VanDerWaalsContact O-CA 3.22Å; D35-G39 WeakPolarHBondContact O-CA 3.08Å; D35-G39 PolarHBondContact O-N 3.4Å; D35-D40 PolarHBondContact N-O 2.81Å
36	S	88.5	Confident	88.1	Confident	10 Å²	10	38.5 Å²	38.5	7%	0.07	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-25.6	-174.3	64.2	0	0	0	0	112.7	N20 L34 W208	N20-S36 WeakPolarHBondContact O-CB 3.3Å; N20-S36 PolarHBondContact O-N 3Å; N20-S36 PolarHBondContact O-OG 2.8Å; N20-S36 VanDerWaalsContact O-OG 3.08Å; L34-S36 PolarHBondContact O-N 2.95Å; S36-W208 PolarHBondContact O-NE1 2.78Å
37	V	88.7	Confident	87.5	Confident	70 Å²	70	39.8 Å²	39.8	42%	0.424	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-44.8	-175.1	-176.2	0	0	0	0	111.6	D35 F185 M207	D35-V37 VanDerWaalsContact C-N 3.26Å; D35-V37 PolarHBondContact O-N 2.84Å; D35-V37 WeakPolarHBondContact OD2-CA 2.96Å; D35-V37 WeakPolarHBondContact OD2-CB 3.14Å; D35-V37 PolarHBondContact OD2-N 3.45Å; V37-F185 HydrophobicContact CG2-CZ 4.31Å; V37-M207 HydrophobicContact CG1-CE 4.29Å
38	S	90.3	Very high	87.1	Confident	52 Å²	52	42.4 Å²	42.4	36%	0.364	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-22.6	-179.5	77.5	0	0	0	0	113.7	D35 D40 W208	D35-S38 PolarHBondContact OD2-N 2.66Å; S38-D40 WeakPolarHBondContact CB-OD2 3.41Å; S38-D40 PolarHBondContact O-N 3.27Å; S38-D40 VanDerWaalsContact OG-CB 3.27Å; S38-D40 WeakPolarHBondContact OG-CB 3.46Å; S38-D40 PolarHBondContact OG-N 2.69Å; S38-D40 VanDerWaalsContact OG-N 3.15Å; S38-D40 PolarHBondContact OG-OD2 2.88Å; S38-W208 WeakPolarHBondContact O-CB 3.45Å
39	G	90.5	Very high	86.9	Confident	3 Å²	3	42.2 Å²	42.2	3%	0.031	22%	0.22	C	C	.	.			trans	73.8	11.7	-171.9	0	0	0	0	0	113.6	D35 R210	D35-G39 VanDerWaalsContact O-CA 3.22Å; D35-G39 WeakPolarHBondContact O-CA 3.08Å; D35-G39 PolarHBondContact O-N 3.4Å; G39-R210 PolarHBondContact O-NH1 2.88Å
40	D	90.6	Very high	86.7	Confident	96 Å²	96	42.3 Å²	42.3	51%	0.513	22%	0.22	S	C	.	.			trans	-71	135.4	178.2	-71.3	-43.5	0	0	0	111.6	L34 D35 S38 Q42	L34-D40 CarbonylContact C-O 3.54Å; L34-D40 WeakPolarHBondContact CA-O 3.15Å; D35-D40 PolarHBondContact N-O 2.81Å; S38-D40 WeakPolarHBondContact CB-OD2 3.41Å; S38-D40 PolarHBondContact O-N 3.27Å; S38-D40 VanDerWaalsContact OG-CB 3.27Å; S38-D40 WeakPolarHBondContact OG-CB 3.46Å; S38-D40 PolarHBondContact OG-N 2.69Å; S38-D40 VanDerWaalsContact OG-N 3.15Å; S38-D40 PolarHBondContact OG-OD2 2.88Å; D40-Q42 PolarHBondContact O-N 2.66Å
41	V	89	Confident	86.5	Confident	44 Å²	44	41.8 Å²	41.8	27%	0.267	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	117	178.8	173.2	0	0	0	0	109	Y32 L34 I44	Y32-V41 HydrophobicContact CD1-CG1 4.39Å; Y32-V41 HydrophobicContact CD1-CG2 4.13Å; L34-V41 HydrophobicContact CD2-CB 3.99Å; L34-V41 HydrophobicContact CD2-CG2 3.27Å; V41-I44 HydrophobicContact CG1-CD1 4.04Å; V41-I44 HydrophobicContact CG1-CG1 3.52Å
42	Q	83.6	Confident	86	Confident	86 Å²	86	46.4 Å²	46.4	40%	0.402	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-44.2	173.9	-64.4	176.2	-24.8	0	0	110.9	S21 V33 D40	S21-Q42 PolarHBondContact OG-OE1 2.84Å; V33-Q42 HydrophobicContact CG1-CB 4.5Å; V33-Q42 PolarHBondContact O-N 2.95Å; D40-Q42 PolarHBondContact O-N 2.66Å
43	T	82.2	Confident	85.1	Confident	32 Å²	32	45 Å²	45	20%	0.196	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	149.3	-176.7	-82.9	0	0	0	0	110.7	V33 I45	V33-T43 HydrophobicContact CG2-CG2 4.07Å; V33-T43 PolarHBondContact N-O 3.06Å; V33-T43 PolarHBondContact O-N 3.44Å; T43-I45 HydrophobicContact CG2-CD1 4.19Å; T43-I45 HydrophobicContact CG2-CG1 3.88Å
44	I	84.2	Confident	83.9	Confident	75 Å²	75	48.2 Å²	48.2	39%	0.385	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.1	173.3	-55.8	178.9	0	0	0	109.2	T30 Y32 V41	T30-I44 HydrophobicContact CG2-CG2 3.42Å; T30-I44 VanDerWaalsContact CG2-CG2 3.42Å; Y32-I44 HydrophobicContact CD1-CD1 4.2Å; Y32-I44 HydrophobicContact CD1-CG1 3.84Å; Y32-I44 HydrophobicContact CD1-CG2 4.35Å; Y32-I44 HydrophobicContact CE1-CD1 3.89Å; Y32-I44 HydrophobicContact CE1-CG1 4Å; Y32-I44 HydrophobicContact CE1-CG2 4.13Å; V41-I44 HydrophobicContact CG1-CD1 4.04Å; V41-I44 HydrophobicContact CG1-CG1 3.52Å
45	I	80.5	Confident	82.3	Confident	2 Å²	2	52 Å²	52	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	117.8	178.7	-61.2	150.3	0	0	0	108.1	T30 L31 V33 T43 Q47 F115	T30-I45 CarbonylContact C-O 3.55Å; T30-I45 WeakPolarHBondContact CA-O 3.17Å; L31-I45 HydrophobicContact CB-CB 4.16Å; L31-I45 HydrophobicContact CD2-CD1 4.12Å; L31-I45 HydrophobicContact CG-CD1 4.5Å; L31-I45 PolarHBondContact N-O 3.41Å; L31-I45 WeakPolarHBondContact O-CB 3.45Å; L31-I45 PolarHBondContact O-N 3.33Å; V33-I45 HydrophobicContact CG2-CD1 4.09Å; T43-I45 HydrophobicContact CG2-CD1 4.19Å; T43-I45 HydrophobicContact CG2-CG1 3.88Å; I45-Q47 HydrophobicContact CG2-CG 4.16Å; I45-F115 HydrophobicContact CB-CE1 3.97Å; I45-F115 HydrophobicContact CB-CZ 4.43Å; I45-F115 HydrophobicContact CD1-CD1 3.57Å; I45-F115 HydrophobicContact CD1-CD2 4.35Å; I45-F115 HydrophobicContact CD1-CE1 3.27Å; I45-F115 HydrophobicContact CD1-CE2 4.06Å; I45-F115 HydrophobicContact CD1-CG 4.12Å; I45-F115 HydrophobicContact CD1-CZ 3.5Å; I45-F115 HydrophobicContact CG1-CD1 3.74Å; I45-F115 HydrophobicContact CG1-CE1 3.36Å; I45-F115 HydrophobicContact CG1-CZ 4.03Å; I45-F115 HydrophobicContact CG2-CD1 4.49Å; I45-F115 HydrophobicContact CG2-CE1 3.37Å; I45-F115 HydrophobicContact CG2-CZ 3.72Å
46	R	82.7	Confident	80.5	Confident	207 Å²	207	54.5 Å²	54.5	78%	0.781	29%	0.29	S	S	*	.			trans	-93.1	120.4	178.7	-65.7	-176.9	-179.7	-125.2	2.6	109.8
47	Q	81.1	Confident	78.7	Confident	26 Å²	26	61.4 Å²	61.4	12%	0.121	32%	0.321	C	S	.	.			trans	-120.4	165.1	171.8	-62.9	-69.2	-47.5	0	0	109.7	G29 I45 L113 T124 Y172	G29-Q47 VanDerWaalsContact O-CB 3.31Å; G29-Q47 WeakPolarHBondContact O-CB 3.43Å; G29-Q47 PolarHBondContact O-N 2.77Å; I45-Q47 HydrophobicContact CG2-CG 4.16Å; Q47-L113 HydrophobicContact CG-CD1 4.19Å; Q47-T124 PolarHBondContact NE2-OG1 2.83Å; Q47-Y172 WeakPolarHBondContact CG-OH 3.47Å
48	P	81.6	Confident	76.8	Confident	58 Å²	58	62 Å²	62	38%	0.377	32%	0.319	S	S	.	.	S	Bend	trans	-59.4	153.5	171.2	-21.1	32.6	0	0	0	111.8	G29 I50	G29-P48 WeakPolarHBondContact CA-O 3.45Å; P48-I50 PolarHBondContact O-N 2.95Å
49	P	83.9	Confident	74.8	Confident	39 Å²	39	66 Å²	66	25%	0.253	34%	0.336	S	S	.	.			trans	-50.7	139	179.7	-29.7	33.4	0	0	0	114.1	D28 L51 K52	D28-P49 VanDerWaalsContact O-CA 3.28Å; D28-P49 WeakPolarHBondContact O-CA 3.28Å; P49-L51 VanDerWaalsContact C-N 3.26Å; P49-L51 PolarHBondContact O-N 3.17Å; P49-K52 HydrophobicContact CB-CG 4.32Å
50	I	83.8	Confident	73.2	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.01	35%	0.349	C	S	.	.	S	Bend	trans	-68.7	-30.7	-174.6	-69.9	176.5	0	0	0	111.6	S25 T26 I27 P48 Y169 V170 Y172 I217	S25-I50 WeakPolarHBondContact OG-CD1 3.33Å; T26-I50 WeakPolarHBondContact O-CD1 3.27Å; I27-I50 PolarHBondContact O-N 3.15Å; P48-I50 PolarHBondContact O-N 2.95Å; I50-Y169 VanDerWaalsContact O-CA 3.3Å; I50-Y169 WeakPolarHBondContact O-CA 3.46Å; I50-V170 HydrophobicContact CB-CB 4.45Å; I50-V170 HydrophobicContact CG1-CB 4.33Å; I50-V170 HydrophobicContact CG2-CB 4.14Å; I50-V170 WeakPolarHBondContact CG2-O 3.08Å; I50-V170 PolarHBondContact O-N 3.04Å; I50-Y172 HydrophobicContact CD1-CE2 4.07Å; I50-I217 HydrophobicContact CB-CD1 3.79Å; I50-I217 HydrophobicContact CD1-CD1 3.26Å; I50-I217 HydrophobicContact CD1-CG1 4.1Å; I50-I217 HydrophobicContact CG1-CD1 4.05Å; I50-I217 HydrophobicContact CG2-CD1 3.53Å
51	L	83.5	Confident	72	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.6	171.7	-70.5	176.1	0	0	0	110.5	I27 P49 P65 P67 L167 T168 Y169	I27-L51 HydrophobicContact CD1-CD1 4.39Å; P49-L51 VanDerWaalsContact C-N 3.26Å; P49-L51 PolarHBondContact O-N 3.17Å; L51-P65 HydrophobicContact CD1-CB 4.4Å; L51-P65 HydrophobicContact CD1-CG 3.9Å; L51-P65 HydrophobicContact CD2-CB 3.86Å; L51-P65 HydrophobicContact CD2-CG 3.78Å; L51-P65 HydrophobicContact CG-CG 4.44Å; L51-P67 HydrophobicContact CD1-CB 3.52Å; L51-P67 HydrophobicContact CD1-CG 4.25Å; L51-P67 HydrophobicContact CG-CB 4.15Å; L51-L167 HydrophobicContact CD2-CD1 4.15Å; L51-L167 HydrophobicContact CD2-CD2 4.33Å; L51-T168 WeakPolarHBondContact CA-O 3.2Å; L51-Y169 HydrophobicContact CD2-CD2 3.83Å
52	K	79.3	Confident	71.4	Confident	97 Å²	97	64.1 Å²	64.1	42%	0.422	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	112.2	167.5	-63.3	178.9	-177.7	177	0	109	P49 L167 T168	P49-K52 HydrophobicContact CB-CG 4.32Å; K52-L167 CarbonylContact O-C 3.55Å; K52-L167 VanDerWaalsContact O-CA 3.31Å; K52-L167 WeakPolarHBondContact O-CA 3.46Å; K52-T168 PolarHBondContact N-O 3.33Å; K52-T168 VanDerWaalsContact N-O 3.09Å; K52-T168 PolarHBondContact O-N 3.49Å
53	T	73	Confident	71.3	Confident	6 Å²	6	60.2 Å²	60.2	4%	0.037	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142.3	169.8	165.7	0	0	0	0	111.2	W165 N166 L167 S276	T53-W165 PolarHBondContact OG1-NE1 3.34Å; T53-N166 WeakPolarHBondContact CA-O 3.44Å; T53-L167 HydrophobicContact CG2-CD1 4.26Å; T53-S276 VanDerWaalsContact CG2-CA 3.46Å; T53-S276 VanDerWaalsContact CG2-OG 3.29Å; T53-S276 WeakPolarHBondContact CG2-OG 3.26Å; T53-S276 PolarHBondContact N-OG 3.32Å
54	S	64	Low	71.5	Confident	70 Å²	70	58.8 Å²	58.8	49%	0.49	30%	0.303	S	S	.	.			trans	-89.3	106.9	165	-55.4	0	0	0	0	108.9	V56 N166	S54-V56 PolarHBondContact O-N 2.83Å; S54-V56 VanDerWaalsContact O-N 3.12Å; S54-N166 PolarHBondContact N-O 3.1Å
55	M	56.9	Low	71.7	Confident	78 Å²	78	55.2 Å²	55.2	38%	0.384	28%	0.284	S	S	.	.			trans	-66.6	104.4	169.8	-87.6	-78.8	-158.7	0	0	109.9	V62 L277	M55-V62 HydrophobicContact CE-CG1 4.18Å; M55-L277 HydrophobicContact CE-CB 4.03Å; M55-L277 HydrophobicContact CE-CD1 3.12Å; M55-L277 HydrophobicContact CE-CG 3.29Å
56	V	52.1	Low	72.2	Confident	90 Å²	90	55.1 Å²	55.1	55%	0.545	28%	0.284	S	S	.	.			trans	-78	125.4	170.9	-173.3	0	0	0	0	108.3	S54 R164	S54-V56 PolarHBondContact O-N 2.83Å; S54-V56 VanDerWaalsContact O-N 3.12Å; V56-R164 WeakPolarHBondContact CG2-O 3.44Å
57	H	51.7	Low	72.5	Confident	154 Å²	154	45.4 Å²	45.4	71%	0.713	25%	0.247	S	C	*	.			trans	-59.2	137.2	-173	-86.6	28.5	0	0	0	114.8
58	Q	48.4	Very low	72.9	Confident	83 Å²	83	44.8 Å²	44.8	39%	0.388	24%	0.244	S	C	.	.	S	Bend	trans	55.9	117.2	152.7	-32.9	-156.1	-27.8	0	0	119	L362 S364	Q58-L362 HydrophobicContact CB-CD2 3.7Å; Q58-L362 HydrophobicContact CG-CD2 3.23Å; Q58-L362 VanDerWaalsContact NE2-CD2 3.32Å; Q58-S364 PolarHBondContact OE1-OG 2.92Å
59	N	48.5	Very low	73.1	Confident	136 Å²	136	42.7 Å²	42.7	73%	0.727	23%	0.23	S	C	*	.	S	Bend	trans	76.8	21.1	172.7	-71.1	-1.1	0	0	0	119.4
60	A	57	Low	73.3	Confident	36 Å²	36	40.9 Å²	40.9	30%	0.298	22%	0.218	S	C	.	.	S	Bend	trans	-129	150.2	-178.5	0	0	0	0	0	113.3	V62	A60-V62 PolarHBondContact O-N 3.37Å
61	M	65.8	Low	73.6	Confident	31 Å²	31	40.9 Å²	40.9	15%	0.153	22%	0.218	C	C	.	.			trans	-31.6	121.4	170.3	-174.9	-176.3	-72.3	0	0	113.9	F63 Q74 F76 L102	M61-F63 HydrophobicContact CG-CE2 3.82Å; M61-F63 HydrophobicContact CG-CZ 3.83Å; M61-F63 HydrophobicContact SD-CE1 4.31Å; M61-F63 HydrophobicContact SD-CE2 3.7Å; M61-F63 HydrophobicContact SD-CZ 3.35Å; M61-F63 WeakPolarHBondContact SD-CZ 3.38Å; M61-Q74 HydrophobicContact CG-CG 3.72Å; M61-Q74 HydrophobicContact SD-CG 4.17Å; M61-Q74 PolarHBondContact SD-NE2 3.2Å; M61-F76 HydrophobicContact CB-CD2 3.72Å; M61-F76 HydrophobicContact CB-CE2 4.39Å; M61-F76 HydrophobicContact CB-CG 4.49Å; M61-F76 HydrophobicContact CE-CD2 4.02Å; M61-F76 HydrophobicContact CE-CE2 4.33Å; M61-F76 HydrophobicContact CE-CG 4.16Å; M61-F76 HydrophobicContact CG-CB 4.28Å; M61-F76 HydrophobicContact CG-CD2 4.22Å; M61-L102 HydrophobicContact CE-CD1 4.17Å; M61-L102 HydrophobicContact CE-CD2 4.5Å; M61-L102 HydrophobicContact SD-CD1 3.58Å; M61-L102 VanDerWaalsContact SD-CD1 3.58Å; M61-L102 HydrophobicContact SD-CD2 4.15Å; M61-L102 HydrophobicContact SD-CG 4.44Å
62	V	75.6	Confident	73.8	Confident	37 Å²	37	40.8 Å²	40.8	22%	0.224	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.7	-179.3	-179.2	0	0	0	0	109.5	M55 A60 L64 Q74 L75 L277	M55-V62 HydrophobicContact CE-CG1 4.18Å; A60-V62 PolarHBondContact O-N 3.37Å; V62-L64 HydrophobicContact CG1-CD2 3.84Å; V62-L64 HydrophobicContact CG1-CG 4.44Å; V62-Q74 CarbonylContact O-C 3.6Å; V62-L75 HydrophobicContact CB-CB 4.3Å; V62-L75 PolarHBondContact N-O 2.84Å; V62-L75 PolarHBondContact O-N 2.83Å; V62-L277 HydrophobicContact CG1-CD1 4.33Å
63	F	82	Confident	74.1	Confident	3 Å²	3	36.1 Å²	36.1	1%	0.013	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.7	173.5	-66.6	-83.1	0	0	0	110.6	M61 L72 Y73 Q74 L83 L102 I155 W165	M61-F63 HydrophobicContact CG-CE2 3.82Å; M61-F63 HydrophobicContact CG-CZ 3.83Å; M61-F63 HydrophobicContact SD-CE1 4.31Å; M61-F63 HydrophobicContact SD-CE2 3.7Å; M61-F63 HydrophobicContact SD-CZ 3.35Å; M61-F63 WeakPolarHBondContact SD-CZ 3.38Å; F63-L72 HydrophobicContact CB-CD1 3.98Å; F63-L72 HydrophobicContact CD1-CD1 4.47Å; F63-L72 HydrophobicContact CD1-CD2 4.1Å; F63-L72 HydrophobicContact CD1-CG 4.11Å; F63-Y73 CarbonylContact C-O 3.51Å; F63-Y73 VanDerWaalsContact CA-O 3.28Å; F63-Y73 WeakPolarHBondContact CA-O 3.26Å; F63-Q74 HydrophobicContact CD1-CB 4.11Å; F63-Q74 HydrophobicContact CD1-CG 4.27Å; F63-Q74 HydrophobicContact CE1-CB 3.97Å; F63-Q74 HydrophobicContact CE1-CG 3.79Å; F63-Q74 HydrophobicContact CZ-CG 4.27Å; F63-L83 HydrophobicContact CD1-CD1 4.28Å; F63-L83 HydrophobicContact CE1-CD1 4.02Å; F63-L102 HydrophobicContact CZ-CD1 3.86Å; F63-I155 HydrophobicContact CD1-CD1 4.06Å; F63-I155 HydrophobicContact CD2-CD1 3.76Å; F63-I155 HydrophobicContact CE1-CD1 3.93Å; F63-I155 HydrophobicContact CE2-CD1 3.61Å; F63-I155 HydrophobicContact CE2-CG2 4.2Å; F63-I155 HydrophobicContact CG-CD1 3.97Å; F63-I155 HydrophobicContact CZ-CD1 3.69Å; F63-I155 HydrophobicContact CZ-CG2 4.29Å; F63-W165 HydrophobicContact CB-CD2 3.89Å; F63-W165 HydrophobicContact CB-CE3 4.18Å; F63-W165 HydrophobicContact CB-CG 4.43Å; F63-W165 HydrophobicContact CB-CH2 3.78Å; F63-W165 HydrophobicContact CB-CZ2 3.57Å; F63-W165 HydrophobicContact CB-CZ3 4.12Å; F63-W165 HydrophobicContact CD2-CB 4.08Å; F63-W165 HydrophobicContact CD2-CD2 4.1Å; F63-W165 HydrophobicContact CD2-CE3 4.39Å; F63-W165 AromaticContact CD2-CG 3.99Å; F63-W165 HydrophobicContact CD2-CG 3.99Å; F63-W165 HydrophobicContact CG-CD2 4.3Å; F63-W165 HydrophobicContact CG-CE3 4.41Å
64	L	84.9	Confident	74.4	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	100.7	-178.5	-52.7	173.9	0	0	0	108.1	V62 Y73 L80 V270 L277 A279	V62-L64 HydrophobicContact CG1-CD2 3.84Å; V62-L64 HydrophobicContact CG1-CG 4.44Å; L64-Y73 PolarHBondContact N-O 3.18Å; L64-Y73 WeakPolarHBondContact O-CD2 3.31Å; L64-Y73 PolarHBondContact O-N 2.95Å; L64-L80 HydrophobicContact CD1-CD1 3.85Å; L64-V270 HydrophobicContact CD1-CG1 4.15Å; L64-V270 HydrophobicContact CD1-CG2 3.96Å; L64-V270 HydrophobicContact CD2-CG1 4.24Å; L64-L277 HydrophobicContact CD2-CB 3.51Å; L64-L277 HydrophobicContact CD2-CD1 3.8Å; L64-L277 HydrophobicContact CD2-CG 4.33Å; L64-A279 HydrophobicContact CB-CB 3.83Å; L64-A279 HydrophobicContact CD1-CB 4.41Å
65	P	89.8	Confident	74.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	145.2	175.6	31.2	-36.8	0	0	0	111.3	L51 S71 L72 I87 W165 L167 L277 Y278 A279	L51-P65 HydrophobicContact CD1-CB 4.4Å; L51-P65 HydrophobicContact CD1-CG 3.9Å; L51-P65 HydrophobicContact CD2-CB 3.86Å; L51-P65 HydrophobicContact CD2-CG 3.78Å; L51-P65 HydrophobicContact CG-CG 4.44Å; P65-S71 CarbonylContact C-O 3.59Å; P65-S71 WeakPolarHBondContact CA-O 3.42Å; P65-L72 HydrophobicContact CB-CD1 4.16Å; P65-I87 HydrophobicContact CB-CD1 3.81Å; P65-W165 HydrophobicContact CG-CZ2 4.49Å; P65-L167 HydrophobicContact CB-CD2 3.83Å; P65-L167 HydrophobicContact CG-CD1 3.88Å; P65-L167 HydrophobicContact CG-CD2 4.1Å; P65-L277 WeakPolarHBondContact CD-O 3.32Å; P65-Y278 VanDerWaalsContact O-CA 3.25Å; P65-Y278 WeakPolarHBondContact O-CA 3.37Å; P65-Y278 WeakPolarHBondContact O-CB 3.4Å; P65-A279 PolarHBondContact O-N 2.76Å
66	D	90.2	Very high	75.4	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.			trans	-84.3	116.9	165.2	-167.2	-40.8	0	0	0	108.7	Q68 D69 G70 S71 Y73 A279	D66-Q68 PolarHBondContact O-N 2.81Å; D66-Q68 VanDerWaalsContact OD1-CB 3.28Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.5Å; D66-Q68 PolarHBondContact OD1-N 3.27Å; D66-D69 VanDerWaalsContact CB-OD1 3.28Å; D66-D69 WeakPolarHBondContact CB-OD1 3.46Å; D66-G70 VanDerWaalsContact O-CA 3.31Å; D66-G70 WeakPolarHBondContact O-CA 3.28Å; D66-G70 PolarHBondContact O-N 3.45Å; D66-S71 PolarHBondContact N-O 3.12Å; D66-Y73 HydrophobicContact CB-CE2 4.21Å; D66-A279 VanDerWaalsContact CA-O 3.23Å; D66-A279 WeakPolarHBondContact CA-O 3.41Å; D66-A279 WeakPolarHBondContact CB-O 3.49Å
67	P	90.1	Very high	75.9	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.013	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.9	-177.8	26.7	-31.7	0	0	0	112.4	I27 L51 I217 Y278 L280	I27-P67 HydrophobicContact CD1-CB 4.17Å; I27-P67 HydrophobicContact CD1-CG 4.21Å; I27-P67 HydrophobicContact CG1-CB 4.38Å; L51-P67 HydrophobicContact CD1-CB 3.52Å; L51-P67 HydrophobicContact CD1-CG 4.25Å; L51-P67 HydrophobicContact CG-CB 4.15Å; P67-I217 HydrophobicContact CB-CB 4.17Å; P67-I217 HydrophobicContact CB-CD1 4.15Å; P67-I217 HydrophobicContact CB-CG2 3.68Å; P67-I217 HydrophobicContact CG-CG2 3.78Å; P67-I217 WeakPolarHBondContact O-CD1 3.31Å; P67-Y278 HydrophobicContact CG-CD2 4.17Å; P67-L280 HydrophobicContact CG-CD2 3.77Å; P67-L280 HydrophobicContact CG-CG 4.34Å
68	Q	88.5	Confident	76.3	Confident	13 Å²	13	33.4 Å²	33.4	6%	0.061	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-58.5	-179.7	-61.8	-176	86	0	0	110.4	D66 Y169 I217 R229 V234 L280	D66-Q68 PolarHBondContact O-N 2.81Å; D66-Q68 VanDerWaalsContact OD1-CB 3.28Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.5Å; D66-Q68 PolarHBondContact OD1-N 3.27Å; Q68-Y169 PolarHBondContact O-OH 3.26Å; Q68-Y169 VanDerWaalsContact O-OH 3.14Å; Q68-I217 HydrophobicContact CG-CB 4.4Å; Q68-I217 WeakPolarHBondContact CG-O 3.37Å; Q68-R229 VanDerWaalsContact C-NH2 3.27Å; Q68-R229 PolarHBondContact O-NH1 3.06Å; Q68-R229 PolarHBondContact O-NH2 3.05Å; Q68-V234 VanDerWaalsContact OE1-CG2 3.29Å; Q68-L280 HydrophobicContact CG-CD2 3.87Å; Q68-L280 VanDerWaalsContact NE2-CD2 3.35Å
69	D	86.5	Confident	76.8	Confident	15 Å²	15	38.1 Å²	38.1	8%	0.08	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-5.4	-167.3	70	-5.6	0	0	0	113.9	D66 S71 W628 N629	D66-D69 VanDerWaalsContact CB-OD1 3.28Å; D66-D69 WeakPolarHBondContact CB-OD1 3.46Å; D69-S71 PolarHBondContact O-N 3.49Å; D69-S71 WeakPolarHBondContact OD1-CA 3.34Å; D69-S71 WeakPolarHBondContact OD1-CB 3.29Å; D69-S71 PolarHBondContact OD1-N 3.23Å; D69-S71 PolarHBondContact OD1-OG 3.4Å; D69-S71 PolarHBondContact OD2-OG 3.01Å; D69-W628 HydrophobicContact CB-CD2 4.37Å; D69-W628 HydrophobicContact CB-CE3 3.38Å; D69-W628 HydrophobicContact CB-CZ3 3.93Å; D69-N629 PolarHBondContact OD2-ND2 2.88Å; D69-N629 PolarHBondContact OD2-OD1 3.13Å
70	G	88.3	Confident	77.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.			trans	73.9	12.9	-173.8	0	0	0	0	0	113.4	D66 T86 I87 Y169	D66-G70 VanDerWaalsContact O-CA 3.31Å; D66-G70 WeakPolarHBondContact O-CA 3.28Å; D66-G70 PolarHBondContact O-N 3.45Å; G70-T86 CarbonylContact O-C 3.57Å; G70-T86 WeakPolarHBondContact O-CA 3.02Å; G70-T86 WeakPolarHBondContact O-CB 3.44Å; G70-I87 WeakPolarHBondContact O-CD1 3.39Å; G70-I87 WeakPolarHBondContact O-CG1 3.43Å; G70-I87 PolarHBondContact O-N 2.95Å; G70-Y169 PolarHBondContact N-OH 3.38Å
71	S	89.9	Confident	78.6	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.014	18%	0.183	C	C	.	.			trans	-52.4	141.2	166.8	-76.8	0	0	0	0	109.5	P65 D66 D69 K82	P65-S71 CarbonylContact C-O 3.59Å; P65-S71 WeakPolarHBondContact CA-O 3.42Å; D66-S71 PolarHBondContact N-O 3.12Å; D69-S71 PolarHBondContact O-N 3.49Å; D69-S71 WeakPolarHBondContact OD1-CA 3.34Å; D69-S71 WeakPolarHBondContact OD1-CB 3.29Å; D69-S71 PolarHBondContact OD1-N 3.23Å; D69-S71 PolarHBondContact OD1-OG 3.4Å; D69-S71 PolarHBondContact OD2-OG 3.01Å; S71-K82 WeakPolarHBondContact OG-CE 3.42Å; S71-K82 PolarHBondContact OG-NZ 3.31Å
72	L	87.7	Confident	79.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124	-177.8	-168.1	57	0	0	0	109.6	F63 P65 L83 L90 L153 I155 W165	F63-L72 HydrophobicContact CB-CD1 3.98Å; F63-L72 HydrophobicContact CD1-CD1 4.47Å; F63-L72 HydrophobicContact CD1-CD2 4.1Å; F63-L72 HydrophobicContact CD1-CG 4.11Å; P65-L72 HydrophobicContact CB-CD1 4.16Å; L72-L83 HydrophobicContact CB-CB 4.45Å; L72-L83 HydrophobicContact CB-CD1 4.12Å; L72-L83 HydrophobicContact CD2-CD1 3.76Å; L72-L83 HydrophobicContact CG-CD1 3.87Å; L72-L83 VanDerWaalsContact O-CB 3.32Å; L72-L83 WeakPolarHBondContact O-CB 3.42Å; L72-L83 PolarHBondContact O-N 3.49Å; L72-L90 HydrophobicContact CD2-CD1 3.88Å; L72-L153 HydrophobicContact CD2-CD2 4.2Å; L72-I155 HydrophobicContact CD2-CD1 4.45Å; L72-W165 HydrophobicContact CD1-CH2 3.59Å; L72-W165 HydrophobicContact CD1-CZ2 4.44Å; L72-W165 HydrophobicContact CD1-CZ3 4.14Å; L72-W165 HydrophobicContact CD2-CH2 4.46Å; L72-W165 HydrophobicContact CD2-CZ3 4.18Å
73	Y	85	Confident	79.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	150.3	172	-52.9	-100.9	0	0	0	109.5	F63 L64 D66 Q81 K82 M268 A279	F63-Y73 CarbonylContact C-O 3.51Å; F63-Y73 VanDerWaalsContact CA-O 3.28Å; F63-Y73 WeakPolarHBondContact CA-O 3.26Å; L64-Y73 PolarHBondContact N-O 3.18Å; L64-Y73 WeakPolarHBondContact O-CD2 3.31Å; L64-Y73 PolarHBondContact O-N 2.95Å; D66-Y73 HydrophobicContact CB-CE2 4.21Å; Y73-Q81 CarbonylContact C-O 3.56Å; Y73-Q81 VanDerWaalsContact CA-O 3.26Å; Y73-Q81 WeakPolarHBondContact CA-O 3.5Å; Y73-K82 HydrophobicContact CD1-CB 3.62Å; Y73-K82 HydrophobicContact CD1-CG 3.87Å; Y73-K82 HydrophobicContact CE1-CB 3.66Å; Y73-K82 HydrophobicContact CE1-CD 3.8Å; Y73-K82 HydrophobicContact CE1-CG 3.66Å; Y73-M268 HydrophobicContact CD1-CE 4.1Å; Y73-M268 HydrophobicContact CD1-SD 3.99Å; Y73-M268 HydrophobicContact CE1-CE 4.02Å; Y73-M268 HydrophobicContact CE1-SD 3.8Å; Y73-A279 HydrophobicContact CD2-CB 3.72Å; Y73-A279 HydrophobicContact CE2-CB 4.02Å; Y73-A279 HydrophobicContact CG-CB 4.36Å
74	Q	79.4	Confident	79.4	Confident	16 Å²	16	44.1 Å²	44.1	8%	0.075	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123	-179.6	-178.6	-174.6	10.1	0	0	107.7	M61 V62 F63 L80 Q81 L83	M61-Q74 HydrophobicContact CG-CG 3.72Å; M61-Q74 HydrophobicContact SD-CG 4.17Å; M61-Q74 PolarHBondContact SD-NE2 3.2Å; V62-Q74 CarbonylContact O-C 3.6Å; F63-Q74 HydrophobicContact CD1-CB 4.11Å; F63-Q74 HydrophobicContact CD1-CG 4.27Å; F63-Q74 HydrophobicContact CE1-CB 3.97Å; F63-Q74 HydrophobicContact CE1-CG 3.79Å; F63-Q74 HydrophobicContact CZ-CG 4.27Å; Q74-L80 CarbonylContact O-C 3.54Å; Q74-L80 WeakPolarHBondContact O-CA 3.18Å; Q74-Q81 PolarHBondContact N-O 2.96Å; Q74-Q81 PolarHBondContact O-N 3.41Å; Q74-L83 HydrophobicContact CB-CD2 4.3Å; Q74-L83 HydrophobicContact CB-CG 4.47Å
75	L	73	Confident	79.3	Confident	30 Å²	30	47.7 Å²	47.7	16%	0.157	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	111.7	170.8	-178.8	69.6	0	0	0	108.3	V62 R79 L80 Y346	V62-L75 HydrophobicContact CB-CB 4.3Å; V62-L75 PolarHBondContact N-O 2.84Å; V62-L75 PolarHBondContact O-N 2.83Å; L75-R79 CarbonylContact C-O 3.58Å; L75-R79 VanDerWaalsContact CA-O 3.31Å; L75-R79 WeakPolarHBondContact CA-O 2.91Å; L75-L80 HydrophobicContact CB-CD1 4.13Å; L75-L80 HydrophobicContact CD1-CB 4.06Å; L75-L80 HydrophobicContact CD1-CD1 4.48Å; L75-Y346 WeakPolarHBondContact CD2-OH 3.35Å
76	F	68.2	Low	79.3	Confident	85 Å²	85	49.9 Å²	49.9	37%	0.373	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	126.7	179.2	-176.1	-113.1	0	0	0	109.8	M61 G78 R79	M61-F76 HydrophobicContact CB-CD2 3.72Å; M61-F76 HydrophobicContact CB-CE2 4.39Å; M61-F76 HydrophobicContact CB-CG 4.49Å; M61-F76 HydrophobicContact CE-CD2 4.02Å; M61-F76 HydrophobicContact CE-CE2 4.33Å; M61-F76 HydrophobicContact CE-CG 4.16Å; M61-F76 HydrophobicContact CG-CB 4.28Å; M61-F76 HydrophobicContact CG-CD2 4.22Å; F76-G78 VanDerWaalsContact C-N 3.29Å; F76-G78 PolarHBondContact O-N 3.37Å; F76-R79 PolarHBondContact N-O 2.93Å; F76-R79 WeakPolarHBondContact O-CB 3.22Å; F76-R79 PolarHBondContact O-N 2.78Å
77	Q	64.6	Low	79.3	Confident	160 Å²	160	49.9 Å²	49.9	75%	0.748	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	44.9	179.9	-62.3	179.9	-24.6	0	0	113.6	R79	Q77-R79 PolarHBondContact O-N 3.13Å; Q77-R79 VanDerWaalsContact O-N 3.16Å
78	G	59.3	Low	79.3	Confident	49 Å²	49	50.9 Å²	50.9	51%	0.505	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	-4.5	-178.6	0	0	0	0	0	115.2	F76	F76-G78 VanDerWaalsContact C-N 3.29Å; F76-G78 PolarHBondContact O-N 3.37Å
79	R	59.8	Low	79.3	Confident	183 Å²	183	51.9 Å²	51.9	69%	0.691	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	122.6	176.4	-60.1	-177.4	-179	-179.7	0.2	110.1	L75 F76 Q77	L75-R79 CarbonylContact C-O 3.58Å; L75-R79 VanDerWaalsContact CA-O 3.31Å; L75-R79 WeakPolarHBondContact CA-O 2.91Å; F76-R79 PolarHBondContact N-O 2.93Å; F76-R79 WeakPolarHBondContact O-CB 3.22Å; F76-R79 PolarHBondContact O-N 2.78Å; Q77-R79 PolarHBondContact O-N 3.13Å; Q77-R79 VanDerWaalsContact O-N 3.16Å
80	L	68	Low	79.4	Confident	34 Å²	34	51.6 Å²	51.6	18%	0.178	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.7	172.3	-177.1	61.3	0	0	0	108.5	L64 Q74 L75 M268 L301	L64-L80 HydrophobicContact CD1-CD1 3.85Å; Q74-L80 CarbonylContact O-C 3.54Å; Q74-L80 WeakPolarHBondContact O-CA 3.18Å; L75-L80 HydrophobicContact CB-CD1 4.13Å; L75-L80 HydrophobicContact CD1-CB 4.06Å; L75-L80 HydrophobicContact CD1-CD1 4.48Å; L80-M268 HydrophobicContact CD2-CE 3.46Å; L80-M268 VanDerWaalsContact CD2-CE 3.46Å; L80-M268 HydrophobicContact CD2-CG 3.82Å; L80-M268 HydrophobicContact CD2-SD 3.9Å; L80-M268 HydrophobicContact CG-CE 4.1Å; L80-L301 VanDerWaalsContact O-O 3.07Å
81	Q	73.7	Confident	79.5	Confident	116 Å²	116	52.1 Å²	52.1	54%	0.542	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.8	-179.7	179.9	177.5	-2	0	0	109.7	Y73 Q74	Y73-Q81 CarbonylContact C-O 3.56Å; Y73-Q81 VanDerWaalsContact CA-O 3.26Å; Y73-Q81 WeakPolarHBondContact CA-O 3.5Å; Q74-Q81 PolarHBondContact N-O 2.96Å; Q74-Q81 PolarHBondContact O-N 3.41Å
82	K	82	Confident	79.4	Confident	69 Å²	69	58.8 Å²	58.8	30%	0.3	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	129.3	168.3	-170.7	176.9	178	168.9	0	109.6	S71 Y73 L301	S71-K82 WeakPolarHBondContact OG-CE 3.42Å; S71-K82 PolarHBondContact OG-NZ 3.31Å; Y73-K82 HydrophobicContact CD1-CB 3.62Å; Y73-K82 HydrophobicContact CD1-CG 3.87Å; Y73-K82 HydrophobicContact CE1-CB 3.66Å; Y73-K82 HydrophobicContact CE1-CD 3.8Å; Y73-K82 HydrophobicContact CE1-CG 3.66Å; K82-L301 HydrophobicContact CB-CD2 3.96Å; K82-L301 HydrophobicContact CD-CD2 4.34Å
83	L	81.9	Confident	79.3	Confident	26 Å²	26	60.9 Å²	60.9	14%	0.136	32%	0.322	C	S	.	.			trans	-73.7	147.8	172.8	-63.7	-176.7	0	0	0	110.9	F63 L72 Q74 L85	F63-L83 HydrophobicContact CD1-CD1 4.28Å; F63-L83 HydrophobicContact CE1-CD1 4.02Å; L72-L83 HydrophobicContact CB-CB 4.45Å; L72-L83 HydrophobicContact CB-CD1 4.12Å; L72-L83 HydrophobicContact CD2-CD1 3.76Å; L72-L83 HydrophobicContact CG-CD1 3.87Å; L72-L83 VanDerWaalsContact O-CB 3.32Å; L72-L83 WeakPolarHBondContact O-CB 3.42Å; L72-L83 PolarHBondContact O-N 3.49Å; Q74-L83 HydrophobicContact CB-CD2 4.3Å; Q74-L83 HydrophobicContact CB-CG 4.47Å; L83-L85 VanDerWaalsContact C-N 3.25Å; L83-L85 PolarHBondContact O-N 3Å
84	P	77.1	Confident	79.3	Confident	124 Å²	124	62.5 Å²	62.5	81%	0.805	33%	0.334	S	S	*	.	S	Bend	trans	-70.2	-18.9	-176.3	27.4	-35.4	0	0	0	114
85	L	83.6	Confident	79.7	Confident	77 Å²	77	66.8 Å²	66.8	40%	0.403	36%	0.363	S	S	.	.	S	Bend	trans	-115	139.9	-178.5	-62	177.4	0	0	0	110.5	L83 A89 L90	L83-L85 VanDerWaalsContact C-N 3.25Å; L83-L85 PolarHBondContact O-N 3Å; L85-A89 HydrophobicContact CB-CB 4.14Å; L85-A89 HydrophobicContact CD2-CB 4.19Å; L85-L90 HydrophobicContact CB-CD2 3.94Å; L85-L90 HydrophobicContact CB-CG 3.81Å; L85-L90 HydrophobicContact CD1-CD2 3.85Å; L85-L90 HydrophobicContact CD1-CG 4.49Å
86	T	89.2	Confident	80.2	Confident	46 Å²	46	67 Å²	67	28%	0.282	37%	0.366	S	S	.	.			trans	-75.6	166.4	169.7	62.7	0	0	0	0	110.8	G70 A89 L90	G70-T86 CarbonylContact O-C 3.57Å; G70-T86 WeakPolarHBondContact O-CA 3.02Å; G70-T86 WeakPolarHBondContact O-CB 3.44Å; T86-A89 CarbonylContact O-C 3.5Å; T86-A89 WeakPolarHBondContact O-CB 3.43Å; T86-A89 PolarHBondContact O-N 3.47Å; T86-A89 VanDerWaalsContact O-N 3.08Å; T86-A89 PolarHBondContact OG1-N 3.42Å; T86-L90 WeakPolarHBondContact O-CG 3.46Å; T86-L90 PolarHBondContact O-N 2.95Å
87	I	89.5	Confident	80.9	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-56.6	-48	176.8	-66.2	151.6	0	0	0	111.7	P65 G70 A89 L90 V91 L153 L167 Y169	P65-I87 HydrophobicContact CB-CD1 3.81Å; G70-I87 WeakPolarHBondContact O-CD1 3.39Å; G70-I87 WeakPolarHBondContact O-CG1 3.43Å; G70-I87 PolarHBondContact O-N 2.95Å; I87-A89 VanDerWaalsContact C-N 3.28Å; I87-A89 PolarHBondContact O-N 2.73Å; I87-L90 PolarHBondContact O-N 2.91Å; I87-V91 HydrophobicContact CG2-CG2 4.38Å; I87-V91 WeakPolarHBondContact O-CG2 3.34Å; I87-V91 PolarHBondContact O-N 2.74Å; I87-L153 HydrophobicContact CG1-CD2 4.43Å; I87-L153 HydrophobicContact CG2-CB 4.34Å; I87-L153 HydrophobicContact CG2-CD2 4.5Å; I87-L167 HydrophobicContact CD1-CD2 3.24Å; I87-L167 HydrophobicContact CG1-CD2 4Å; I87-Y169 HydrophobicContact CD1-CG 4.25Å; I87-Y169 HydrophobicContact CG2-CD1 4.43Å; I87-Y169 HydrophobicContact CG2-CG 4.49Å
88	P	89.5	Confident	81.5	Confident	23 Å²	23	63.3 Å²	63.3	15%	0.149	35%	0.351	C	S	.	.	H	α-helix	trans	-55.7	-40.5	172.7	-28.6	36.5	0	0	0	113.7	V91 H92 Y151 Y169	P88-V91 PolarHBondContact O-N 2.84Å; P88-H92 WeakPolarHBondContact O-CB 3.36Å; P88-H92 PolarHBondContact O-N 2.73Å; P88-Y151 HydrophobicContact CB-CD1 4.21Å; P88-Y151 HydrophobicContact CB-CE1 3.72Å; P88-Y151 HydrophobicContact CB-CE2 4.32Å; P88-Y151 HydrophobicContact CG-CD1 4.44Å; P88-Y151 HydrophobicContact CG-CD2 4.23Å; P88-Y151 HydrophobicContact CG-CE1 4.21Å; P88-Y151 HydrophobicContact CG-CE2 3.99Å; P88-Y151 HydrophobicContact CG-CG 4.44Å; P88-Y169 HydrophobicContact CG-CD1 4.29Å; P88-Y169 HydrophobicContact CG-CE1 3.99Å
89	A	89.2	Confident	82.1	Confident	35 Å²	35	67.6 Å²	67.6	29%	0.289	37%	0.374	S	S	.	.	H	α-helix	trans	-69.6	-38.4	178.7	0	0	0	0	0	112.5	L85 T86 I87 H92 A93	L85-A89 HydrophobicContact CB-CB 4.14Å; L85-A89 HydrophobicContact CD2-CB 4.19Å; T86-A89 CarbonylContact O-C 3.5Å; T86-A89 WeakPolarHBondContact O-CB 3.43Å; T86-A89 PolarHBondContact O-N 3.47Å; T86-A89 VanDerWaalsContact O-N 3.08Å; T86-A89 PolarHBondContact OG1-N 3.42Å; I87-A89 VanDerWaalsContact C-N 3.28Å; I87-A89 PolarHBondContact O-N 2.73Å; A89-H92 PolarHBondContact O-N 3Å; A89-A93 WeakPolarHBondContact O-CB 3.44Å; A89-A93 PolarHBondContact O-N 3.27Å
90	L	88.7	Confident	82.6	Confident	8 Å²	8	62.5 Å²	62.5	4%	0.042	36%	0.36	C	S	.	.	H	α-helix	trans	-66.5	-40.7	174	-74.7	169	0	0	0	112	L72 L85 T86 I87 H92 A93 S94 F104 L153	L72-L90 HydrophobicContact CD2-CD1 3.88Å; L85-L90 HydrophobicContact CB-CD2 3.94Å; L85-L90 HydrophobicContact CB-CG 3.81Å; L85-L90 HydrophobicContact CD1-CD2 3.85Å; L85-L90 HydrophobicContact CD1-CG 4.49Å; T86-L90 WeakPolarHBondContact O-CG 3.46Å; T86-L90 PolarHBondContact O-N 2.95Å; I87-L90 PolarHBondContact O-N 2.91Å; L90-H92 VanDerWaalsContact C-N 3.35Å; L90-A93 CarbonylContact O-C 3.59Å; L90-A93 PolarHBondContact O-N 2.94Å; L90-S94 PolarHBondContact O-N 3.17Å; L90-F104 HydrophobicContact CD1-CD1 4.22Å; L90-F104 HydrophobicContact CD1-CE1 4.28Å; L90-F104 HydrophobicContact CD2-CD1 4.09Å; L90-F104 HydrophobicContact CD2-CE1 4.39Å; L90-F104 HydrophobicContact CD2-CG 4.27Å; L90-L153 HydrophobicContact CB-CD1 4.07Å; L90-L153 HydrophobicContact CB-CD2 4.09Å; L90-L153 HydrophobicContact CD1-CD2 3.81Å
91	V	89.7	Confident	82.9	Confident	12 Å²	12	61.2 Å²	61.2	7%	0.073	36%	0.355	C	S	.	.	H	α-helix	trans	-64.9	-40.4	174.3	171.5	0	0	0	0	110.8	I87 P88 A93 S94 S107 K108 Y151 L153	I87-V91 HydrophobicContact CG2-CG2 4.38Å; I87-V91 WeakPolarHBondContact O-CG2 3.34Å; I87-V91 PolarHBondContact O-N 2.74Å; P88-V91 PolarHBondContact O-N 2.84Å; V91-A93 VanDerWaalsContact C-N 3.33Å; V91-A93 PolarHBondContact O-N 3.33Å; V91-S94 WeakPolarHBondContact O-CB 2.82Å; V91-S94 PolarHBondContact O-N 2.7Å; V91-S107 VanDerWaalsContact CG1-C 3.5Å; V91-K108 HydrophobicContact CG1-CB 4.12Å; V91-Y151 HydrophobicContact CB-CD1 3.97Å; V91-Y151 HydrophobicContact CG1-CD1 4Å; V91-Y151 HydrophobicContact CG2-CD1 4.14Å; V91-L153 HydrophobicContact CG2-CB 4.33Å; V91-L153 HydrophobicContact CG2-CD1 4.2Å
92	H	87.5	Confident	83.2	Confident	142 Å²	142	56 Å²	56	66%	0.657	33%	0.331	S	S	*	.	H	α-helix	trans	-66.9	-33.6	175.7	-175.7	-89.8	0	0	0	112.8	P88 A89 L90 S94	P88-H92 WeakPolarHBondContact O-CB 3.36Å; P88-H92 PolarHBondContact O-N 2.73Å; A89-H92 PolarHBondContact O-N 3Å; L90-H92 VanDerWaalsContact C-N 3.35Å; H92-S94 VanDerWaalsContact C-N 3.27Å; H92-S94 PolarHBondContact O-N 3.06Å
93	A	86.9	Confident	83.4	Confident	44 Å²	44	55.5 Å²	55.5	36%	0.364	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.1	175	0	0	0	0	0	113.6	A89 L90 V91 P95 C96	A89-A93 WeakPolarHBondContact O-CB 3.44Å; A89-A93 PolarHBondContact O-N 3.27Å; L90-A93 CarbonylContact O-C 3.59Å; L90-A93 PolarHBondContact O-N 2.94Å; V91-A93 VanDerWaalsContact C-N 3.33Å; V91-A93 PolarHBondContact O-N 3.33Å; A93-P95 CarbonylContact O-C 3.55Å; A93-C96 HydrophobicContact CB-CB 4.37Å; A93-C96 VanDerWaalsContact O-CB 3.3Å; A93-C96 WeakPolarHBondContact O-CB 3.42Å
94	S	85.2	Confident	83.6	Confident	34 Å²	34	54.8 Å²	54.8	24%	0.238	33%	0.327	C	S	.	.			trans	-70.1	141.4	-175.4	168.8	0	0	0	0	112.6	L90 V91 H92 A105 G106	L90-S94 PolarHBondContact O-N 3.17Å; V91-S94 WeakPolarHBondContact O-CB 2.82Å; V91-S94 PolarHBondContact O-N 2.7Å; H92-S94 VanDerWaalsContact C-N 3.27Å; H92-S94 PolarHBondContact O-N 3.06Å; S94-A105 WeakPolarHBondContact OG-CA 3.48Å; S94-G106 PolarHBondContact OG-N 3.18Å; S94-G106 PolarHBondContact OG-O 3.48Å
95	P	86.3	Confident	84.2	Confident	106 Å²	106	50.1 Å²	50.1	69%	0.688	30%	0.299	S	S	*	.	S	Bend	cis	-78.5	134.1	-6.5	30.3	-32.4	0	0	0	111.2	A93 F104	A93-P95 CarbonylContact O-C 3.55Å; P95-F104 WeakPolarHBondContact CA-O 3.1Å
96	C	85.3	Confident	84.4	Confident	33 Å²	33	47.6 Å²	47.6	22%	0.223	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	156.6	175.4	65.2	0	0	0	0	112.4	A93 F104	A93-C96 HydrophobicContact CB-CB 4.37Å; A93-C96 VanDerWaalsContact O-CB 3.3Å; A93-C96 WeakPolarHBondContact O-CB 3.42Å; C96-F104 PolarHBondContact N-O 3.43Å; C96-F104 PolarHBondContact O-N 2.71Å
97	K	82	Confident	84.5	Confident	139 Å²	139	48.3 Å²	48.3	60%	0.604	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.7	-178.4	175.3	-178.6	173.7	176.6	0	109.9	L102 L103 I158	K97-L102 CarbonylContact C-O 3.46Å; K97-L102 VanDerWaalsContact CA-O 3.31Å; K97-L102 WeakPolarHBondContact CA-O 3.43Å; K97-L103 HydrophobicContact CB-CD1 4.46Å; K97-I158 HydrophobicContact CD-CD1 3.45Å; K97-I158 VanDerWaalsContact CD-CD1 3.45Å; K97-I158 VanDerWaalsContact CE-CD1 3.46Å; K97-I158 HydrophobicContact CG-CD1 3.73Å
98	S	77.9	Confident	84.5	Confident	30 Å²	30	53.3 Å²	53.3	21%	0.21	32%	0.32	C	S	.	.			trans	-85.9	162.2	170	53.7	0	0	0	0	112.3	D100 G101 L102	S98-D100 WeakPolarHBondContact CB-OD1 3.21Å; S98-D100 PolarHBondContact O-N 3.45Å; S98-D100 PolarHBondContact OG-OD1 2.89Å; S98-G101 PolarHBondContact O-N 3.47Å; S98-G101 VanDerWaalsContact O-N 3.15Å; S98-L102 PolarHBondContact N-O 2.85Å; S98-L102 VanDerWaalsContact OG-CB 3.29Å; S98-L102 WeakPolarHBondContact OG-CB 3.41Å; S98-L102 PolarHBondContact OG-N 3.44Å; S98-L102 VanDerWaalsContact OG-N 3.17Å; S98-L102 PolarHBondContact OG-O 2.95Å
99	S	72.2	Confident	84.3	Confident	139 Å²	139	54.4 Å²	54.4	97%	0.972	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-26.8	177.9	46.1	0	0	0	0	113.6	G101	S99-G101 VanDerWaalsContact C-N 3.27Å; S99-G101 PolarHBondContact O-N 2.8Å
100	D	69.2	Low	83.9	Confident	75 Å²	75	56.4 Å²	56.4	40%	0.401	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	4.7	176.7	65.2	-17.3	0	0	0	113.8	S98 L102	S98-D100 WeakPolarHBondContact CB-OD1 3.21Å; S98-D100 PolarHBondContact O-N 3.45Å; S98-D100 PolarHBondContact OG-OD1 2.89Å; D100-L102 WeakPolarHBondContact OD2-CD1 3.38Å
101	G	74.1	Confident	83.3	Confident	8 Å²	8	56.3 Å²	56.3	8%	0.082	33%	0.329	C	S	.	.	S	Bend	trans	89.2	16.6	172.4	0	0	0	0	0	115.1	S98 S99 I158	S98-G101 PolarHBondContact O-N 3.47Å; S98-G101 VanDerWaalsContact O-N 3.15Å; S99-G101 VanDerWaalsContact C-N 3.27Å; S99-G101 PolarHBondContact O-N 2.8Å; G101-I158 VanDerWaalsContact O-CB 3.31Å; G101-I158 WeakPolarHBondContact O-CB 3.33Å; G101-I158 WeakPolarHBondContact O-CD1 3.27Å; G101-I158 WeakPolarHBondContact O-CG1 3.36Å; G101-I158 PolarHBondContact O-N 3.45Å
102	L	80.9	Confident	82.6	Confident	5 Å²	5	61.6 Å²	61.6	3%	0.026	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.2	171.9	-51.6	168.1	0	0	0	110.4	M61 F63 K97 S98 D100 F104 I155 M156 D157	M61-L102 HydrophobicContact CE-CD1 4.17Å; M61-L102 HydrophobicContact CE-CD2 4.5Å; M61-L102 HydrophobicContact SD-CD1 3.58Å; M61-L102 VanDerWaalsContact SD-CD1 3.58Å; M61-L102 HydrophobicContact SD-CD2 4.15Å; M61-L102 HydrophobicContact SD-CG 4.44Å; F63-L102 HydrophobicContact CZ-CD1 3.86Å; K97-L102 CarbonylContact C-O 3.46Å; K97-L102 VanDerWaalsContact CA-O 3.31Å; K97-L102 WeakPolarHBondContact CA-O 3.43Å; S98-L102 PolarHBondContact N-O 2.85Å; S98-L102 VanDerWaalsContact OG-CB 3.29Å; S98-L102 WeakPolarHBondContact OG-CB 3.41Å; S98-L102 PolarHBondContact OG-N 3.44Å; S98-L102 VanDerWaalsContact OG-N 3.17Å; S98-L102 PolarHBondContact OG-O 2.95Å; D100-L102 WeakPolarHBondContact OD2-CD1 3.38Å; L102-F104 HydrophobicContact CB-CE2 3.86Å; L102-F104 HydrophobicContact CB-CZ 4.1Å; L102-F104 HydrophobicContact CD1-CZ 4.22Å; L102-I155 HydrophobicContact CB-CG2 3.91Å; L102-I155 HydrophobicContact CD1-CG2 4.22Å; L102-I155 HydrophobicContact CD2-CG2 4.12Å; L102-I155 HydrophobicContact CG-CG2 4.33Å; L102-M156 CarbonylContact C-O 3.4Å; L102-M156 WeakPolarHBondContact CA-O 3.4Å; L102-D157 HydrophobicContact CD2-CB 4.25Å
103	L	84.6	Confident	81.9	Confident	59 Å²	59	55 Å²	55	31%	0.309	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120	171.3	-176.5	67.1	0	0	0	108.9	K97 I155 M156 I158	K97-L103 HydrophobicContact CB-CD1 4.46Å; L103-I155 WeakPolarHBondContact O-CA 3.31Å; L103-M156 HydrophobicContact CB-CB 4.44Å; L103-M156 HydrophobicContact CD2-CE 3.86Å; L103-M156 HydrophobicContact CG-CE 4.27Å; L103-M156 PolarHBondContact N-O 2.84Å; L103-M156 PolarHBondContact O-N 2.95Å; L103-I158 HydrophobicContact CB-CD1 4.09Å; L103-I158 HydrophobicContact CB-CG1 3.93Å
104	F	86.9	Confident	81	Confident	11 Å²	11	53.1 Å²	53.1	5%	0.048	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.7	174.6	-58.3	-97.1	0	0	0	108.6	L90 P95 C96 L102 L153 R154 I155	L90-F104 HydrophobicContact CD1-CD1 4.22Å; L90-F104 HydrophobicContact CD1-CE1 4.28Å; L90-F104 HydrophobicContact CD2-CD1 4.09Å; L90-F104 HydrophobicContact CD2-CE1 4.39Å; L90-F104 HydrophobicContact CD2-CG 4.27Å; P95-F104 WeakPolarHBondContact CA-O 3.1Å; C96-F104 PolarHBondContact N-O 3.43Å; C96-F104 PolarHBondContact O-N 2.71Å; L102-F104 HydrophobicContact CB-CE2 3.86Å; L102-F104 HydrophobicContact CB-CZ 4.1Å; L102-F104 HydrophobicContact CD1-CZ 4.22Å; F104-L153 HydrophobicContact CB-CD1 4.33Å; F104-L153 HydrophobicContact CD1-CD1 4.5Å; F104-L153 HydrophobicContact CD1-CD2 4.45Å; F104-R154 WeakPolarHBondContact CA-O 3.45Å; F104-I155 HydrophobicContact CD1-CD1 4.02Å; F104-I155 HydrophobicContact CD1-CG1 3.73Å; F104-I155 HydrophobicContact CE1-CD1 3.62Å; F104-I155 HydrophobicContact CE1-CG1 3.82Å; F104-I155 HydrophobicContact CE1-CG2 4.26Å
105	A	89	Confident	80.2	Confident	27 Å²	27	51.9 Å²	51.9	22%	0.223	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.3	172.3	0	0	0	0	0	108.5	S94 R154 M156	S94-A105 WeakPolarHBondContact OG-CA 3.48Å; A105-R154 PolarHBondContact N-O 2.86Å; A105-R154 WeakPolarHBondContact O-CA 3.2Å; A105-R154 WeakPolarHBondContact O-CB 3.45Å; A105-R154 PolarHBondContact O-N 2.89Å; A105-M156 HydrophobicContact CB-CE 4.06Å
106	G	89.2	Confident	79.1	Confident	24 Å²	24	48.2 Å²	48.2	25%	0.247	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	163.7	-176.6	0	0	0	0	0	113.2	S94 K152	S94-G106 PolarHBondContact OG-N 3.18Å; S94-G106 PolarHBondContact OG-O 3.48Å; G106-K152 CarbonylContact C-O 3.49Å; G106-K152 WeakPolarHBondContact CA-O 3.41Å
107	S	91.1	Very high	77.9	Confident	61 Å²	61	48.6 Å²	48.6	43%	0.427	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	142.1	175.7	60.5	0	0	0	0	109.3	V91 K152	V91-S107 VanDerWaalsContact CG1-C 3.5Å; S107-K152 PolarHBondContact N-O 2.77Å; S107-K152 PolarHBondContact O-N 3.11Å
108	K	89.8	Confident	77	Confident	105 Å²	105	45.7 Å²	45.7	46%	0.457	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137.8	170.9	-173.8	-169.9	-175.7	-137.4	0	108.4	V91 D110 E150 Y151	V91-K108 HydrophobicContact CG1-CB 4.12Å; K108-D110 WeakPolarHBondContact CE-OD1 3.22Å; K108-D110 WeakPolarHBondContact CE-OD2 3.33Å; K108-D110 IonicContact NZ-OD1 2.94Å; K108-D110 PolarHBondContact NZ-OD1 2.85Å; K108-D110 IonicContact NZ-OD2 3.61Å; K108-D110 PolarHBondContact NZ-OD2 2.69Å; K108-E150 CarbonylContact C-O 3.53Å; K108-E150 WeakPolarHBondContact CA-O 3.25Å; K108-Y151 HydrophobicContact CB-CD1 4.28Å; K108-Y151 HydrophobicContact CB-CE1 4.28Å; K108-Y151 HydrophobicContact CD-CE1 3.91Å; K108-Y151 WeakPolarHBondContact CE-OH 3.44Å; K108-Y151 HydrophobicContact CG-CD1 4.08Å; K108-Y151 HydrophobicContact CG-CE1 3.75Å
109	H	85.5	Confident	76.2	Confident	46 Å²	46	47 Å²	47	21%	0.213	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	118	175.2	-178.7	92.9	0	0	0	108.7	Q127 D129 E150	H109-Q127 PolarHBondContact NE2-NE2 2.77Å; H109-D129 VanDerWaalsContact CE1-CG 3.44Å; H109-D129 IonicContact CE1-OD1 3.11Å; H109-D129 PolarHBondContact CE1-OD1 2.83Å; H109-D129 IonicContact CE1-OD2 3.44Å; H109-D129 PolarHBondContact CE1-OD2 2.78Å; H109-D129 IonicContact ND1-OD1 2.95Å; H109-D129 PolarHBondContact ND1-OD1 3.35Å; H109-D129 IonicContact NE2-OD1 2.75Å; H109-E150 PolarHBondContact N-O 3.38Å; H109-E150 PolarHBondContact O-N 3.09Å
110	D	81	Confident	75.3	Confident	77 Å²	77	47.4 Å²	47.4	41%	0.412	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	136.9	-179.3	-66.9	-41.3	0	0	0	109.5	K108 S149	K108-D110 WeakPolarHBondContact CE-OD1 3.22Å; K108-D110 WeakPolarHBondContact CE-OD2 3.33Å; K108-D110 IonicContact NZ-OD1 2.94Å; K108-D110 PolarHBondContact NZ-OD1 2.85Å; K108-D110 IonicContact NZ-OD2 3.61Å; K108-D110 PolarHBondContact NZ-OD2 2.69Å; D110-S149 VanDerWaalsContact OD1-CB 3.28Å; D110-S149 WeakPolarHBondContact OD1-CB 3.32Å; D110-S149 PolarHBondContact OD1-OG 2.97Å
111	S	75.6	Confident	74.5	Confident	5 Å²	5	51.4 Å²	51.4	4%	0.035	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	153.9	-178.1	53.1	0	0	0	0	109.6	R148	S111-R148 PolarHBondContact N-O 2.92Å; S111-R148 PolarHBondContact O-N 2.81Å; S111-R148 PolarHBondContact OG-O 2.93Å
112	W	73.6	Confident	73.3	Confident	124 Å²	124	51.8 Å²	51.8	47%	0.47	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.5	173.8	-68.2	94	0	0	0	109.1	L128 F145	W112-L128 VanDerWaalsContact CD1-CD1 3.49Å; W112-L128 HydrophobicContact CG-CD1 4.26Å; W112-F145 HydrophobicContact CE3-CB 4.03Å; W112-F145 HydrophobicContact CZ3-CB 4.44Å
113	L	73.3	Confident	71.9	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.2	170.2	-58.8	-179.6	0	0	0	108.3	Q47 F115 T124 F145 I146 R148 Y172	Q47-L113 HydrophobicContact CG-CD1 4.19Å; L113-F115 HydrophobicContact CB-CE1 4.46Å; L113-F115 HydrophobicContact CB-CE2 3.63Å; L113-F115 HydrophobicContact CB-CZ 3.52Å; L113-F115 HydrophobicContact CD1-CZ 3.99Å; L113-F115 HydrophobicContact CG-CZ 4.39Å; L113-T124 HydrophobicContact CD2-CG2 3.8Å; L113-F145 CarbonylContact O-C 3.58Å; L113-F145 VanDerWaalsContact O-CA 3.27Å; L113-F145 WeakPolarHBondContact O-CA 2.96Å; L113-I146 HydrophobicContact CB-CB 4.4Å; L113-I146 PolarHBondContact N-O 2.98Å; L113-I146 PolarHBondContact O-N 3.27Å; L113-R148 HydrophobicContact CD1-CB 4.34Å; L113-R148 HydrophobicContact CG-CB 4.25Å; L113-Y172 HydrophobicContact CD1-CD1 4.33Å; L113-Y172 HydrophobicContact CD1-CE1 3.71Å
114	V	68.2	Low	70.3	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.03	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	132.3	-178.8	-168.8	0	0	0	0	108.9	I125 E143 L144 F145	V114-I125 HydrophobicContact CB-CB 4.23Å; V114-I125 HydrophobicContact CB-CD1 4.09Å; V114-I125 HydrophobicContact CB-CG1 4.37Å; V114-I125 HydrophobicContact CG1-CD1 4.01Å; V114-I125 HydrophobicContact CG2-CB 4.29Å; V114-E143 HydrophobicContact CG1-CB 3.74Å; V114-E143 HydrophobicContact CG1-CG 4.27Å; V114-E143 WeakPolarHBondContact CG1-OE2 3.47Å; V114-L144 CarbonylContact C-O 3.59Å; V114-L144 WeakPolarHBondContact CA-O 3.35Å; V114-F145 HydrophobicContact CB-CD1 4.41Å; V114-F145 HydrophobicContact CB-CE1 4.22Å; V114-F145 HydrophobicContact CG1-CD1 4.33Å; V114-F145 HydrophobicContact CG1-CE1 3.88Å; V114-F145 HydrophobicContact CG1-CE2 4.28Å; V114-F145 HydrophobicContact CG1-CZ 3.84Å; V114-F145 HydrophobicContact CG2-CD1 3.58Å; V114-F145 HydrophobicContact CG2-CE1 3.35Å; V114-F145 HydrophobicContact CG2-CZ 4.16Å
115	F	68.6	Low	68.5	Low	8 Å²	8	60.5 Å²	60.5	4%	0.035	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.3	-178.2	-57.9	-67.3	0	0	0	111.2	I45 L113 E143 L144 I146	I45-F115 HydrophobicContact CB-CE1 3.97Å; I45-F115 HydrophobicContact CB-CZ 4.43Å; I45-F115 HydrophobicContact CD1-CD1 3.57Å; I45-F115 HydrophobicContact CD1-CD2 4.35Å; I45-F115 HydrophobicContact CD1-CE1 3.27Å; I45-F115 HydrophobicContact CD1-CE2 4.06Å; I45-F115 HydrophobicContact CD1-CG 4.12Å; I45-F115 HydrophobicContact CD1-CZ 3.5Å; I45-F115 HydrophobicContact CG1-CD1 3.74Å; I45-F115 HydrophobicContact CG1-CE1 3.36Å; I45-F115 HydrophobicContact CG1-CZ 4.03Å; I45-F115 HydrophobicContact CG2-CD1 4.49Å; I45-F115 HydrophobicContact CG2-CE1 3.37Å; I45-F115 HydrophobicContact CG2-CZ 3.72Å; L113-F115 HydrophobicContact CB-CE1 4.46Å; L113-F115 HydrophobicContact CB-CE2 3.63Å; L113-F115 HydrophobicContact CB-CZ 3.52Å; L113-F115 HydrophobicContact CD1-CZ 3.99Å; L113-F115 HydrophobicContact CG-CZ 4.39Å; F115-E143 CarbonylContact O-C 3.6Å; F115-E143 WeakPolarHBondContact O-CA 3.27Å; F115-L144 HydrophobicContact CB-CB 4.12Å; F115-L144 HydrophobicContact CD2-CD2 4.25Å; F115-L144 HydrophobicContact CD2-CG 4.23Å; F115-L144 WeakPolarHBondContact CD2-O 3.49Å; F115-L144 PolarHBondContact N-O 2.78Å; F115-L144 PolarHBondContact O-N 3.12Å; F115-I146 HydrophobicContact CD2-CD1 3.64Å; F115-I146 HydrophobicContact CD2-CG1 3.83Å; F115-I146 HydrophobicContact CE2-CB 3.85Å; F115-I146 HydrophobicContact CE2-CD1 3.27Å; F115-I146 HydrophobicContact CE2-CG1 3.55Å; F115-I146 HydrophobicContact CZ-CD1 4.31Å
116	V	63.6	Low	66.6	Low	30 Å²	30	63.1 Å²	63.1	18%	0.182	35%	0.345	C	S	.	.			trans	-98	114.8	172.7	-168.3	0	0	0	0	108.6	G118 V119 E143	V116-G118 PolarHBondContact O-N 2.95Å; V116-V119 HydrophobicContact CB-CB 4.29Å; V116-V119 HydrophobicContact CB-CG2 3.84Å; V116-V119 HydrophobicContact CG1-CG2 3.77Å; V116-V119 PolarHBondContact O-N 3.32Å; V116-E143 HydrophobicContact CG2-CG 4.14Å
117	P	59.9	Low	64.8	Low	40 Å²	40	66.4 Å²	66.4	26%	0.26	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	133	175.8	-19.3	28.3	0	0	0	111	Y18 V119 T142	Y18-P117 HydrophobicContact CE2-CG 4.13Å; P117-V119 VanDerWaalsContact C-N 3.33Å; P117-T142 WeakPolarHBondContact CD-O 3.37Å; P117-T142 WeakPolarHBondContact CG-O 3.35Å
118	G	62	Low	62.7	Low	78 Å²	78	66.9 Å²	66.9	80%	0.804	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-4.2	178.4	0	0	0	0	0	115.5	V116	V116-G118 PolarHBondContact O-N 2.95Å
119	V	62.5	Low	60.7	Low	57 Å²	57	65.5 Å²	65.5	35%	0.345	35%	0.349	S	S	.	.			trans	-95.4	109.3	169.9	-170.8	0	0	0	0	108.7	V116 P117 Q121 Y123	V116-V119 HydrophobicContact CB-CB 4.29Å; V116-V119 HydrophobicContact CB-CG2 3.84Å; V116-V119 HydrophobicContact CG1-CG2 3.77Å; V116-V119 PolarHBondContact O-N 3.32Å; P117-V119 VanDerWaalsContact C-N 3.33Å; V119-Q121 PolarHBondContact O-N 3.31Å; V119-Y123 HydrophobicContact CG1-CE1 3.72Å
120	D	52.4	Low	59	Low	148 Å²	148	73.1 Å²	73.1	79%	0.791	39%	0.385	S	S	*	.	S	Bend	trans	-59.7	121.5	175.7	-82.4	-29.7	0	0	0	109.5
121	Q	52	Low	57.4	Low	160 Å²	160	78.4 Å²	78.4	75%	0.748	41%	0.407	S	S	*	.	S	Bend	trans	80.2	87.9	-172.1	-47.8	-180	21.8	0	0	113	V119 Y123	V119-Q121 PolarHBondContact O-N 3.31Å; Q121-Y123 WeakPolarHBondContact O-CD1 3.44Å; Q121-Y123 PolarHBondContact O-N 2.94Å
122	G	49.7	Very low	56	Low	15 Å²	15	82.7 Å²	82.7	16%	0.155	43%	0.43	C	S	.	.			trans	-53.3	110.6	164.2	0	0	0	0	0	110.3
123	Y	50.8	Low	54.5	Low	122 Å²	122	80.7 Å²	80.7	48%	0.478	45%	0.448	S	S	.	.			trans	-89.9	138.1	175.5	36.8	-88.3	0	0	0	109	V119 Q121 I125	V119-Y123 HydrophobicContact CG1-CE1 3.72Å; Q121-Y123 WeakPolarHBondContact O-CD1 3.44Å; Q121-Y123 PolarHBondContact O-N 2.94Å; Y123-I125 HydrophobicContact CD2-CD1 3.74Å; Y123-I125 HydrophobicContact CD2-CG1 3.25Å; Y123-I125 HydrophobicContact CE2-CD1 3.34Å; Y123-I125 HydrophobicContact CE2-CG1 3.43Å; Y123-I125 VanDerWaalsContact CE2-CG1 3.43Å; Y123-I125 HydrophobicContact CG-CG1 4.47Å; Y123-I125 PolarHBondContact O-N 2.83Å
124	T	50.7	Low	52.9	Low	67 Å²	67	87.6 Å²	87.6	41%	0.411	48%	0.482	S	S	.	.			trans	-69.4	100.7	172.6	-55.7	0	0	0	0	108.2	Q47 L113	Q47-T124 PolarHBondContact NE2-OG1 2.83Å; L113-T124 HydrophobicContact CD2-CG2 3.8Å
125	I	50.2	Low	51.8	Low	69 Å²	69	92.8 Å²	92.8	35%	0.354	51%	0.513	S	S	.	.			trans	-77.1	-28.4	-174.6	-62.3	169.3	0	0	0	112.5	V114 Y123	V114-I125 HydrophobicContact CB-CB 4.23Å; V114-I125 HydrophobicContact CB-CD1 4.09Å; V114-I125 HydrophobicContact CB-CG1 4.37Å; V114-I125 HydrophobicContact CG1-CD1 4.01Å; V114-I125 HydrophobicContact CG2-CB 4.29Å; Y123-I125 HydrophobicContact CD2-CD1 3.74Å; Y123-I125 HydrophobicContact CD2-CG1 3.25Å; Y123-I125 HydrophobicContact CE2-CD1 3.34Å; Y123-I125 HydrophobicContact CE2-CG1 3.43Å; Y123-I125 VanDerWaalsContact CE2-CG1 3.43Å; Y123-I125 HydrophobicContact CG-CG1 4.47Å; Y123-I125 PolarHBondContact O-N 2.83Å
126	Q	49.9	Very low	50.5	Low	83 Å²	83	97.2 Å²	97.2	39%	0.388	54%	0.544	S	S	.	.			trans	-161.9	130.3	-177.9	-118.3	168.1	-11.1	0	0	113.2
127	Q	50.4	Low	49.9	Very low	93 Å²	93	97.6 Å²	97.6	44%	0.435	55%	0.547	S	S	.	.			trans	-87	115.8	155.4	-88.5	173.4	-66.7	0	0	107	H109 D129	H109-Q127 PolarHBondContact NE2-NE2 2.77Å; Q127-D129 VanDerWaalsContact C-N 3.28Å; Q127-D129 PolarHBondContact O-N 3.45Å
128	L	47.5	Very low	49.3	Very low	70 Å²	70	102.2 Å²	102.2	37%	0.366	58%	0.575	S	S	.	*			trans	-72.9	87.5	166.9	-84.7	150	0	0	0	107.9	W112	W112-L128 VanDerWaalsContact CD1-CD1 3.49Å; W112-L128 HydrophobicContact CG-CD1 4.26Å
129	D	47.9	Very low	48.9	Very low	77 Å²	77	102.7 Å²	102.7	41%	0.412	56%	0.558	S	S	.	*			trans	-95.5	154.4	171.6	-101.9	-29.9	0	0	0	111.1	H109 Q127 Q131 D132	H109-D129 VanDerWaalsContact CE1-CG 3.44Å; H109-D129 IonicContact CE1-OD1 3.11Å; H109-D129 PolarHBondContact CE1-OD1 2.83Å; H109-D129 IonicContact CE1-OD2 3.44Å; H109-D129 PolarHBondContact CE1-OD2 2.78Å; H109-D129 IonicContact ND1-OD1 2.95Å; H109-D129 PolarHBondContact ND1-OD1 3.35Å; H109-D129 IonicContact NE2-OD1 2.75Å; Q127-D129 VanDerWaalsContact C-N 3.28Å; Q127-D129 PolarHBondContact O-N 3.45Å; D129-Q131 PolarHBondContact O-N 2.76Å; D129-D132 PolarHBondContact O-N 2.85Å; D129-D132 VanDerWaalsContact O-N 3.09Å
130	E	48.5	Very low	48.3	Very low	205 Å²	205	105.5 Å²	105.5	96%	0.958	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.4	-12.8	-175	-74.4	-176.9	156.2	0	0	115.6
131	Q	47.4	Very low	48.4	Very low	188 Å²	188	102.4 Å²	102.4	88%	0.879	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-14.5	-178.2	-66.2	-171.3	-4.6	0	0	114.4	D129 G133	D129-Q131 PolarHBondContact O-N 2.76Å; Q131-G133 PolarHBondContact O-N 3.19Å
132	D	46.6	Very low	48.9	Very low	96 Å²	96	98.2 Å²	98.2	51%	0.513	54%	0.54	S	S	.	.			trans	-90.2	94.2	178.5	-80	-21.4	0	0	0	110.4	D129 M134	D129-D132 PolarHBondContact O-N 2.85Å; D129-D132 VanDerWaalsContact O-N 3.09Å; D132-M134 PolarHBondContact O-N 3.14Å
133	G	42.7	Very low	49.7	Very low	82 Å²	82	99.4 Å²	99.4	85%	0.845	54%	0.541	S	S	*	.			trans	-66.6	29.1	173.9	0	0	0	0	0	115.3	Q131	Q131-G133 PolarHBondContact O-N 3.19Å
134	M	40.3	Very low	50.7	Low	147 Å²	147	94 Å²	94	72%	0.724	52%	0.52	S	S	*	.			trans	-119.2	112.6	-176.2	-82.1	-74.9	-151.1	0	0	111.1	D132	D132-M134 PolarHBondContact O-N 3.14Å
135	V	43.5	Very low	51.7	Low	114 Å²	114	93.3 Å²	93.3	69%	0.691	51%	0.512	S	S	*	.			trans	13.4	123.9	144.2	-163.2	0	0	0	0	116.1	P137	V135-P137 VanDerWaalsContact O-N 3.14Å
136	C	42.9	Very low	53	Low	100 Å²	100	90.1 Å²	90.1	68%	0.676	50%	0.495	S	S	*	.	S	Bend	trans	-35.5	119.6	163.9	-173.2	0	0	0	0	109.7	T138	C136-T138 PolarHBondContact O-N 3.04Å
137	P	49.7	Very low	54.4	Low	38 Å²	38	87.4 Å²	87.4	25%	0.247	49%	0.49	C	S	.	.			trans	-56	111.9	-174.1	19.6	-29.6	0	0	0	108.2	V135 I139 F145	V135-P137 VanDerWaalsContact O-N 3.14Å; P137-I139 PolarHBondContact O-N 3.28Å; P137-F145 HydrophobicContact CG-CE1 3.96Å; P137-F145 HydrophobicContact CG-CZ 4.2Å
138	T	48.8	Very low	56	Low	138 Å²	138	83.7 Å²	83.7	85%	0.847	47%	0.472	S	S	*	.			trans	-54	114.1	179.2	-5.5	0	0	0	0	107.6	C136 D140	C136-T138 PolarHBondContact O-N 3.04Å; T138-D140 PolarHBondContact O-N 2.93Å; T138-D140 VanDerWaalsContact O-N 3.14Å
139	I	51.7	Low	57.9	Low	87 Å²	87	81.5 Å²	81.5	45%	0.446	46%	0.463	S	S	.	.			trans	-54.5	110.3	-168.1	-63.1	158.1	0	0	0	109.7	V10 P137 N141	V10-I139 HydrophobicContact CG1-CG2 4.27Å; P137-I139 PolarHBondContact O-N 3.28Å; I139-N141 PolarHBondContact O-N 2.88Å
140	D	51.7	Low	59.9	Low	117 Å²	117	79.2 Å²	79.2	63%	0.626	45%	0.45	S	S	*	.			trans	-69.4	123.5	150.5	-137.4	-14.8	0	0	0	105.8	T138 T142 E143	T138-D140 PolarHBondContact O-N 2.93Å; T138-D140 VanDerWaalsContact O-N 3.14Å; D140-T142 PolarHBondContact O-N 3.39Å; D140-E143 HydrophobicContact CB-CG 4.49Å; D140-E143 PolarHBondContact O-N 2.94Å
141	N	54.6	Low	61.9	Low	83 Å²	83	70.9 Å²	70.9	44%	0.444	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	14.7	-159.6	-72.2	-43.9	0	0	0	115.8	I139	I139-N141 PolarHBondContact O-N 2.88Å
142	T	62.3	Low	64	Low	72 Å²	72	65.5 Å²	65.5	44%	0.442	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-7.1	-178	62.5	0	0	0	0	113.2	P117 D140	P117-T142 WeakPolarHBondContact CD-O 3.37Å; P117-T142 WeakPolarHBondContact CG-O 3.35Å; D140-T142 PolarHBondContact O-N 3.39Å
143	E	66.6	Low	66	Low	39 Å²	39	61 Å²	61	18%	0.182	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-87.6	129.4	-174.3	-52.7	-168.2	147.1	0	0	113	L14 V114 F115 V116 D140 F145	L14-E143 WeakPolarHBondContact CD1-O 3.17Å; V114-E143 HydrophobicContact CG1-CB 3.74Å; V114-E143 HydrophobicContact CG1-CG 4.27Å; V114-E143 WeakPolarHBondContact CG1-OE2 3.47Å; F115-E143 CarbonylContact O-C 3.6Å; F115-E143 WeakPolarHBondContact O-CA 3.27Å; V116-E143 HydrophobicContact CG2-CG 4.14Å; D140-E143 HydrophobicContact CB-CG 4.49Å; D140-E143 PolarHBondContact O-N 2.94Å; E143-F145 HydrophobicContact CB-CE2 3.84Å; E143-F145 HydrophobicContact CB-CZ 4.34Å
144	L	71	Confident	68.2	Low	8 Å²	8	62.7 Å²	62.7	4%	0.042	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	119.9	174.3	167.4	67.2	0	0	0	110.4	L14 Y18 F23 V114 F115 I146 L222	L14-L144 HydrophobicContact CD2-CB 4.47Å; Y18-L144 HydrophobicContact CD2-CD2 4.18Å; Y18-L144 HydrophobicContact CE2-CB 4.25Å; Y18-L144 HydrophobicContact CE2-CD2 3.86Å; F23-L144 HydrophobicContact CE1-CD2 4.09Å; F23-L144 HydrophobicContact CZ-CD2 3.77Å; V114-L144 CarbonylContact C-O 3.59Å; V114-L144 WeakPolarHBondContact CA-O 3.35Å; F115-L144 HydrophobicContact CB-CB 4.12Å; F115-L144 HydrophobicContact CD2-CD2 4.25Å; F115-L144 HydrophobicContact CD2-CG 4.23Å; F115-L144 WeakPolarHBondContact CD2-O 3.49Å; F115-L144 PolarHBondContact N-O 2.78Å; F115-L144 PolarHBondContact O-N 3.12Å; L144-I146 HydrophobicContact CD2-CD1 4.08Å; L144-I146 HydrophobicContact CD2-CG1 4.31Å; L144-I146 HydrophobicContact CG-CD1 4.44Å; L144-I146 HydrophobicContact CG-CG1 4.12Å; L144-L222 HydrophobicContact CD1-CD1 3.67Å; L144-L222 HydrophobicContact CD1-CD2 3.47Å; L144-L222 VanDerWaalsContact CD1-CD2 3.47Å; L144-L222 HydrophobicContact CD1-CG 4.23Å; L144-L222 HydrophobicContact CD2-CD2 4.31Å
145	F	71.9	Confident	70.3	Confident	54 Å²	54	55.7 Å²	55.7	24%	0.237	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125	176.3	-65.7	-100.2	0	0	0	111.2	W112 L113 V114 P137 E143	W112-F145 HydrophobicContact CE3-CB 4.03Å; W112-F145 HydrophobicContact CZ3-CB 4.44Å; L113-F145 CarbonylContact O-C 3.58Å; L113-F145 VanDerWaalsContact O-CA 3.27Å; L113-F145 WeakPolarHBondContact O-CA 2.96Å; V114-F145 HydrophobicContact CB-CD1 4.41Å; V114-F145 HydrophobicContact CB-CE1 4.22Å; V114-F145 HydrophobicContact CG1-CD1 4.33Å; V114-F145 HydrophobicContact CG1-CE1 3.88Å; V114-F145 HydrophobicContact CG1-CE2 4.28Å; V114-F145 HydrophobicContact CG1-CZ 3.84Å; V114-F145 HydrophobicContact CG2-CD1 3.58Å; V114-F145 HydrophobicContact CG2-CE1 3.35Å; V114-F145 HydrophobicContact CG2-CZ 4.16Å; P137-F145 HydrophobicContact CG-CE1 3.96Å; P137-F145 HydrophobicContact CG-CZ 4.2Å; E143-F145 HydrophobicContact CB-CE2 3.84Å; E143-F145 HydrophobicContact CB-CZ 4.34Å
146	I	77.6	Confident	72	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.5	176	-57.9	-177.6	0	0	0	109.4	F23 L31 L113 F115 L144 Y172 L227	F23-I146 HydrophobicContact CD1-CD1 4.1Å; F23-I146 HydrophobicContact CE1-CD1 3.7Å; F23-I146 HydrophobicContact CZ-CD1 4.44Å; L31-I146 HydrophobicContact CD2-CD1 4.25Å; L113-I146 HydrophobicContact CB-CB 4.4Å; L113-I146 PolarHBondContact N-O 2.98Å; L113-I146 PolarHBondContact O-N 3.27Å; F115-I146 HydrophobicContact CD2-CD1 3.64Å; F115-I146 HydrophobicContact CD2-CG1 3.83Å; F115-I146 HydrophobicContact CE2-CB 3.85Å; F115-I146 HydrophobicContact CE2-CD1 3.27Å; F115-I146 HydrophobicContact CE2-CG1 3.55Å; F115-I146 HydrophobicContact CZ-CD1 4.31Å; L144-I146 HydrophobicContact CD2-CD1 4.08Å; L144-I146 HydrophobicContact CD2-CG1 4.31Å; L144-I146 HydrophobicContact CG-CD1 4.44Å; L144-I146 HydrophobicContact CG-CG1 4.12Å; I146-Y172 HydrophobicContact CG2-CD1 4.28Å; I146-L227 HydrophobicContact CD1-CD1 3.94Å; I146-L227 HydrophobicContact CD1-CG 4.27Å; I146-L227 HydrophobicContact CG1-CD1 4.35Å; I146-L227 HydrophobicContact CG1-CG 4.37Å; I146-L227 HydrophobicContact CG2-CD1 3.42Å; I146-L227 VanDerWaalsContact CG2-CD1 3.42Å; I146-L227 HydrophobicContact CG2-CG 3.92Å
147	G	79.1	Confident	73.6	Confident	27 Å²	27	48.8 Å²	48.8	28%	0.278	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	135.9	173.2	0	0	0	0	0	111.7	Y172	G147-Y172 CarbonylContact O-C 3.6Å; G147-Y172 WeakPolarHBondContact O-CA 3.26Å
148	R	84.6	Confident	74.8	Confident	14 Å²	14	50.5 Å²	50.5	5%	0.053	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	118.7	176.3	175	-172.4	178.7	-89.2	-2.6	109	S111 L113 E150 V170 Y172	S111-R148 PolarHBondContact N-O 2.92Å; S111-R148 PolarHBondContact O-N 2.81Å; S111-R148 PolarHBondContact OG-O 2.93Å; L113-R148 HydrophobicContact CD1-CB 4.34Å; L113-R148 HydrophobicContact CG-CB 4.25Å; R148-E150 IonicContact CZ-OE2 2.74Å; R148-E150 IonicContact NH1-OE2 2.55Å; R148-E150 PolarHBondContact NH1-OE2 3.19Å; R148-E150 VanDerWaalsContact NH1-OE2 3.11Å; R148-E150 IonicContact NH2-OE2 2.77Å; R148-E150 PolarHBondContact NH2-OE2 2.75Å; R148-V170 HydrophobicContact CG-CG1 3.73Å; R148-V170 VanDerWaalsContact NH2-CG2 3.28Å; R148-Y172 HydrophobicContact CB-CD1 4.11Å; R148-Y172 HydrophobicContact CB-CE1 4.22Å; R148-Y172 HydrophobicContact CG-CD1 4.23Å; R148-Y172 HydrophobicContact CG-CE1 4Å
149	S	87	Confident	75.8	Confident	24 Å²	24	50.3 Å²	50.3	17%	0.168	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.9	174.2	-63.8	0	0	0	0	110.4	D110 V170 Q171	D110-S149 VanDerWaalsContact OD1-CB 3.28Å; D110-S149 WeakPolarHBondContact OD1-CB 3.32Å; D110-S149 PolarHBondContact OD1-OG 2.97Å; S149-V170 WeakPolarHBondContact O-CA 3.19Å; S149-Q171 PolarHBondContact N-O 3.19Å; S149-Q171 PolarHBondContact O-N 3.05Å
150	E	89.6	Confident	76.6	Confident	30 Å²	30	49.2 Å²	49.2	14%	0.14	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120.6	174.1	-176.3	172.5	110.9	0	0	110.2	K108 H109 R148 K152 T168 V170	K108-E150 CarbonylContact C-O 3.53Å; K108-E150 WeakPolarHBondContact CA-O 3.25Å; H109-E150 PolarHBondContact N-O 3.38Å; H109-E150 PolarHBondContact O-N 3.09Å; R148-E150 IonicContact CZ-OE2 2.74Å; R148-E150 IonicContact NH1-OE2 2.55Å; R148-E150 PolarHBondContact NH1-OE2 3.19Å; R148-E150 VanDerWaalsContact NH1-OE2 3.11Å; R148-E150 IonicContact NH2-OE2 2.77Å; R148-E150 PolarHBondContact NH2-OE2 2.75Å; E150-K152 WeakPolarHBondContact OE1-CE 3.3Å; E150-K152 IonicContact OE1-NZ 3.4Å; E150-K152 PolarHBondContact OE1-NZ 3Å; E150-T168 HydrophobicContact CG-CG2 3.42Å; E150-T168 VanDerWaalsContact CG-CG2 3.42Å; E150-V170 HydrophobicContact CG-CG2 4.26Å
151	Y	91.2	Very high	77.1	Confident	29 Å²	29	46.4 Å²	46.4	11%	0.114	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.6	178.9	-63.6	-88.1	0	0	0	109.3	P88 V91 K108 T168 Y169 Q171	P88-Y151 HydrophobicContact CB-CD1 4.21Å; P88-Y151 HydrophobicContact CB-CE1 3.72Å; P88-Y151 HydrophobicContact CB-CE2 4.32Å; P88-Y151 HydrophobicContact CG-CD1 4.44Å; P88-Y151 HydrophobicContact CG-CD2 4.23Å; P88-Y151 HydrophobicContact CG-CE1 4.21Å; P88-Y151 HydrophobicContact CG-CE2 3.99Å; P88-Y151 HydrophobicContact CG-CG 4.44Å; V91-Y151 HydrophobicContact CB-CD1 3.97Å; V91-Y151 HydrophobicContact CG1-CD1 4Å; V91-Y151 HydrophobicContact CG2-CD1 4.14Å; K108-Y151 HydrophobicContact CB-CD1 4.28Å; K108-Y151 HydrophobicContact CB-CE1 4.28Å; K108-Y151 HydrophobicContact CD-CE1 3.91Å; K108-Y151 WeakPolarHBondContact CE-OH 3.44Å; K108-Y151 HydrophobicContact CG-CD1 4.08Å; K108-Y151 HydrophobicContact CG-CE1 3.75Å; Y151-T168 CarbonylContact O-C 3.58Å; Y151-T168 WeakPolarHBondContact O-CA 3.36Å; Y151-Y169 AromaticContact CD2-CD1 3.82Å; Y151-Y169 HydrophobicContact CD2-CD1 3.82Å; Y151-Y169 HydrophobicContact CD2-CE1 4.34Å; Y151-Y169 HydrophobicContact CG-CD1 4.43Å; Y151-Y169 PolarHBondContact N-O 2.9Å; Y151-Y169 PolarHBondContact O-N 3.19Å; Y151-Q171 HydrophobicContact CE2-CB 4.44Å
152	K	90.7	Very high	77.5	Confident	76 Å²	76	51 Å²	51	33%	0.33	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.1	171.5	-65.6	175.9	-178.6	157.1	0	108.5	G106 S107 E150 L167 T168	G106-K152 CarbonylContact C-O 3.49Å; G106-K152 WeakPolarHBondContact CA-O 3.41Å; S107-K152 PolarHBondContact N-O 2.77Å; S107-K152 PolarHBondContact O-N 3.11Å; E150-K152 WeakPolarHBondContact OE1-CE 3.3Å; E150-K152 IonicContact OE1-NZ 3.4Å; E150-K152 PolarHBondContact OE1-NZ 3Å; K152-L167 CarbonylContact C-O 3.53Å; K152-L167 WeakPolarHBondContact CA-O 3.45Å; K152-T168 HydrophobicContact CG-CG2 4.27Å
153	L	89.3	Confident	77.5	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.6	178.1	-173.7	66.8	0	0	0	109.9	L72 I87 L90 V91 F104 W165 N166 L167	L72-L153 HydrophobicContact CD2-CD2 4.2Å; I87-L153 HydrophobicContact CG1-CD2 4.43Å; I87-L153 HydrophobicContact CG2-CB 4.34Å; I87-L153 HydrophobicContact CG2-CD2 4.5Å; L90-L153 HydrophobicContact CB-CD1 4.07Å; L90-L153 HydrophobicContact CB-CD2 4.09Å; L90-L153 HydrophobicContact CD1-CD2 3.81Å; V91-L153 HydrophobicContact CG2-CB 4.33Å; V91-L153 HydrophobicContact CG2-CD1 4.2Å; F104-L153 HydrophobicContact CB-CD1 4.33Å; F104-L153 HydrophobicContact CD1-CD1 4.5Å; F104-L153 HydrophobicContact CD1-CD2 4.45Å; L153-W165 HydrophobicContact CD2-CZ3 4.39Å; L153-N166 WeakPolarHBondContact O-CA 3.32Å; L153-L167 PolarHBondContact N-O 2.94Å; L153-L167 PolarHBondContact O-N 3.08Å
154	R	87.9	Confident	77.6	Confident	118 Å²	118	57.5 Å²	57.5	45%	0.445	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.5	175.7	-61.4	176.2	-179.1	164.4	1.8	108.7	F104 A105 W165	F104-R154 WeakPolarHBondContact CA-O 3.45Å; A105-R154 PolarHBondContact N-O 2.86Å; A105-R154 WeakPolarHBondContact O-CA 3.2Å; A105-R154 WeakPolarHBondContact O-CB 3.45Å; A105-R154 PolarHBondContact O-N 2.89Å; R154-W165 WeakPolarHBondContact CA-O 3.45Å
155	I	84.4	Confident	77.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.2	176.6	-52.6	177.4	0	0	0	107.8	F63 L72 L102 L103 F104 R164 W165	F63-I155 HydrophobicContact CD1-CD1 4.06Å; F63-I155 HydrophobicContact CD2-CD1 3.76Å; F63-I155 HydrophobicContact CE1-CD1 3.93Å; F63-I155 HydrophobicContact CE2-CD1 3.61Å; F63-I155 HydrophobicContact CE2-CG2 4.2Å; F63-I155 HydrophobicContact CG-CD1 3.97Å; F63-I155 HydrophobicContact CZ-CD1 3.69Å; F63-I155 HydrophobicContact CZ-CG2 4.29Å; L72-I155 HydrophobicContact CD2-CD1 4.45Å; L102-I155 HydrophobicContact CB-CG2 3.91Å; L102-I155 HydrophobicContact CD1-CG2 4.22Å; L102-I155 HydrophobicContact CD2-CG2 4.12Å; L102-I155 HydrophobicContact CG-CG2 4.33Å; L103-I155 WeakPolarHBondContact O-CA 3.31Å; F104-I155 HydrophobicContact CD1-CD1 4.02Å; F104-I155 HydrophobicContact CD1-CG1 3.73Å; F104-I155 HydrophobicContact CE1-CD1 3.62Å; F104-I155 HydrophobicContact CE1-CG1 3.82Å; F104-I155 HydrophobicContact CE1-CG2 4.26Å; I155-R164 PolarHBondContact O-N 3.3Å; I155-W165 HydrophobicContact CB-CB 4.15Å; I155-W165 HydrophobicContact CD1-CB 4.47Å; I155-W165 HydrophobicContact CD1-CD2 4.36Å; I155-W165 HydrophobicContact CD1-CE3 3.51Å; I155-W165 HydrophobicContact CD1-CZ3 3.98Å; I155-W165 HydrophobicContact CG1-CE3 3.97Å; I155-W165 PolarHBondContact N-O 3.02Å; I155-W165 PolarHBondContact O-N 2.93Å; I155-W165 VanDerWaalsContact O-N 3.14Å
156	M	79.7	Confident	78.1	Confident	48 Å²	48	58 Å²	58	24%	0.236	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.3	179.3	-64.8	173.5	-74.4	0	0	108.7	L102 L103 A105 R163	L102-M156 CarbonylContact C-O 3.4Å; L102-M156 WeakPolarHBondContact CA-O 3.4Å; L103-M156 HydrophobicContact CB-CB 4.44Å; L103-M156 HydrophobicContact CD2-CE 3.86Å; L103-M156 HydrophobicContact CG-CE 4.27Å; L103-M156 PolarHBondContact N-O 2.84Å; L103-M156 PolarHBondContact O-N 2.95Å; A105-M156 HydrophobicContact CB-CE 4.06Å; M156-R163 HydrophobicContact CG-CG 4.06Å; M156-R163 HydrophobicContact SD-CG 4.44Å
157	D	75.6	Confident	78.5	Confident	22 Å²	22	58 Å²	58	12%	0.118	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124	171.6	178.1	-12	0	0	0	108.1	L102 N159 D160 G161 R162 R164	L102-D157 HydrophobicContact CD2-CB 4.25Å; D157-N159 PolarHBondContact O-N 3.32Å; D157-N159 WeakPolarHBondContact OD1-CB 3.34Å; D157-N159 PolarHBondContact OD1-N 3.22Å; D157-N159 PolarHBondContact OD1-ND2 2.9Å; D157-N159 VanDerWaalsContact OD1-ND2 3.1Å; D157-D160 WeakPolarHBondContact CB-OD1 2.83Å; D157-G161 WeakPolarHBondContact O-CA 3.35Å; D157-G161 PolarHBondContact O-N 3.42Å; D157-R162 PolarHBondContact N-O 3.47Å; D157-R162 VanDerWaalsContact N-O 3.12Å; D157-R164 HydrophobicContact CB-CG 3.64Å; D157-R164 IonicContact OD2-CZ 2.68Å; D157-R164 IonicContact OD2-NE 3.85Å; D157-R164 PolarHBondContact OD2-NE 2.87Å; D157-R164 IonicContact OD2-NH2 3.88Å; D157-R164 PolarHBondContact OD2-NH2 2.87Å
158	I	74.9	Confident	78.9	Confident	74 Å²	74	57.7 Å²	57.7	38%	0.379	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-26.1	-176.1	-64.3	165.5	0	0	0	110.8	K97 G101 L103	K97-I158 HydrophobicContact CD-CD1 3.45Å; K97-I158 VanDerWaalsContact CD-CD1 3.45Å; K97-I158 VanDerWaalsContact CE-CD1 3.46Å; K97-I158 HydrophobicContact CG-CD1 3.73Å; G101-I158 VanDerWaalsContact O-CB 3.31Å; G101-I158 WeakPolarHBondContact O-CB 3.33Å; G101-I158 WeakPolarHBondContact O-CD1 3.27Å; G101-I158 WeakPolarHBondContact O-CG1 3.36Å; G101-I158 PolarHBondContact O-N 3.45Å; L103-I158 HydrophobicContact CB-CD1 4.09Å; L103-I158 HydrophobicContact CB-CG1 3.93Å
159	N	70.9	Confident	79.2	Confident	134 Å²	134	57.1 Å²	57.1	72%	0.717	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-35.7	-174.3	-56.8	-57.1	0	0	0	112.5	D157	D157-N159 PolarHBondContact O-N 3.32Å; D157-N159 WeakPolarHBondContact OD1-CB 3.34Å; D157-N159 PolarHBondContact OD1-N 3.22Å; D157-N159 PolarHBondContact OD1-ND2 2.9Å; D157-N159 VanDerWaalsContact OD1-ND2 3.1Å
160	D	68	Low	79.2	Confident	63 Å²	63	56.2 Å²	56.2	34%	0.337	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-4.4	176.8	70.4	5.4	0	0	0	113.4	D157 R162 R164	D157-D160 WeakPolarHBondContact CB-OD1 2.83Å; D160-R162 HydrophobicContact CB-CG 4.29Å; D160-R162 PolarHBondContact O-N 2.71Å; D160-R162 VanDerWaalsContact OD1-CB 3.32Å; D160-R162 WeakPolarHBondContact OD1-CB 3.46Å; D160-R162 PolarHBondContact OD1-N 2.69Å; D160-R164 IonicContact OD1-NE 2.77Å; D160-R164 IonicContact OD1-NH2 2.91Å; D160-R164 IonicContact OD2-CZ 3.49Å; D160-R164 IonicContact OD2-NE 3.94Å; D160-R164 IonicContact OD2-NH1 2.88Å; D160-R164 IonicContact OD2-NH2 3.32Å; D160-R164 PolarHBondContact OD2-NH2 2.89Å
161	G	61.3	Low	79.1	Confident	59 Å²	59	55.9 Å²	55.9	61%	0.608	26%	0.264	S	S	*	.			trans	64	5.5	-176.9	0	0	0	0	0	113.7	D157	D157-G161 WeakPolarHBondContact O-CA 3.35Å; D157-G161 PolarHBondContact O-N 3.42Å
162	R	64.8	Low	78.8	Confident	178 Å²	178	54.9 Å²	54.9	67%	0.672	26%	0.26	S	S	*	.			trans	-83.3	139.2	-174.1	-65.4	-176.5	174	-177	-1.1	109.7	D157 D160 R164	D157-R162 PolarHBondContact N-O 3.47Å; D157-R162 VanDerWaalsContact N-O 3.12Å; D160-R162 HydrophobicContact CB-CG 4.29Å; D160-R162 PolarHBondContact O-N 2.71Å; D160-R162 VanDerWaalsContact OD1-CB 3.32Å; D160-R162 WeakPolarHBondContact OD1-CB 3.46Å; D160-R162 PolarHBondContact OD1-N 2.69Å; R162-R164 PolarHBondContact O-N 3.41Å; R162-R164 VanDerWaalsContact O-N 3.1Å
163	R	62.6	Low	78.1	Confident	179 Å²	179	51.7 Å²	51.7	68%	0.675	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	111.4	167	-67.1	178.6	180	178.7	1.8	107.7	M156	M156-R163 HydrophobicContact CG-CG 4.06Å; M156-R163 HydrophobicContact SD-CG 4.44Å
164	R	68	Low	76.9	Confident	69 Å²	69	57.3 Å²	57.3	26%	0.26	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-35.1	178.7	-66.8	-65.7	-171.5	167.5	0.5	111.2	V56 I155 D157 D160 R162	V56-R164 WeakPolarHBondContact CG2-O 3.44Å; I155-R164 PolarHBondContact O-N 3.3Å; D157-R164 HydrophobicContact CB-CG 3.64Å; D157-R164 IonicContact OD2-CZ 2.68Å; D157-R164 IonicContact OD2-NE 3.85Å; D157-R164 PolarHBondContact OD2-NE 2.87Å; D157-R164 IonicContact OD2-NH2 3.88Å; D157-R164 PolarHBondContact OD2-NH2 2.87Å; D160-R164 IonicContact OD1-NE 2.77Å; D160-R164 IonicContact OD1-NH2 2.91Å; D160-R164 IonicContact OD2-CZ 3.49Å; D160-R164 IonicContact OD2-NE 3.94Å; D160-R164 IonicContact OD2-NH1 2.88Å; D160-R164 IonicContact OD2-NH2 3.32Å; D160-R164 PolarHBondContact OD2-NH2 2.89Å; R162-R164 PolarHBondContact O-N 3.41Å; R162-R164 VanDerWaalsContact O-N 3.1Å
165	W	74.1	Confident	76.2	Confident	12 Å²	12	56.9 Å²	56.9	5%	0.045	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	145.9	-170.8	-161.8	71.4	0	0	0	113.3	T53 F63 P65 L72 L153 R154 I155 L167	T53-W165 PolarHBondContact OG1-NE1 3.34Å; F63-W165 HydrophobicContact CB-CD2 3.89Å; F63-W165 HydrophobicContact CB-CE3 4.18Å; F63-W165 HydrophobicContact CB-CG 4.43Å; F63-W165 HydrophobicContact CB-CH2 3.78Å; F63-W165 HydrophobicContact CB-CZ2 3.57Å; F63-W165 HydrophobicContact CB-CZ3 4.12Å; F63-W165 HydrophobicContact CD2-CB 4.08Å; F63-W165 HydrophobicContact CD2-CD2 4.1Å; F63-W165 HydrophobicContact CD2-CE3 4.39Å; F63-W165 AromaticContact CD2-CG 3.99Å; F63-W165 HydrophobicContact CD2-CG 3.99Å; F63-W165 HydrophobicContact CG-CD2 4.3Å; F63-W165 HydrophobicContact CG-CE3 4.41Å; P65-W165 HydrophobicContact CG-CZ2 4.49Å; L72-W165 HydrophobicContact CD1-CH2 3.59Å; L72-W165 HydrophobicContact CD1-CZ2 4.44Å; L72-W165 HydrophobicContact CD1-CZ3 4.14Å; L72-W165 HydrophobicContact CD2-CH2 4.46Å; L72-W165 HydrophobicContact CD2-CZ3 4.18Å; L153-W165 HydrophobicContact CD2-CZ3 4.39Å; R154-W165 WeakPolarHBondContact CA-O 3.45Å; I155-W165 HydrophobicContact CB-CB 4.15Å; I155-W165 HydrophobicContact CD1-CB 4.47Å; I155-W165 HydrophobicContact CD1-CD2 4.36Å; I155-W165 HydrophobicContact CD1-CE3 3.51Å; I155-W165 HydrophobicContact CD1-CZ3 3.98Å; I155-W165 HydrophobicContact CG1-CE3 3.97Å; I155-W165 PolarHBondContact N-O 3.02Å; I155-W165 PolarHBondContact O-N 2.93Å; I155-W165 VanDerWaalsContact O-N 3.14Å; W165-L167 HydrophobicContact CD2-CB 4.3Å; W165-L167 HydrophobicContact CE3-CB 3.87Å; W165-L167 HydrophobicContact CH2-CB 3.34Å; W165-L167 HydrophobicContact CH2-CD1 3.93Å; W165-L167 HydrophobicContact CH2-CD2 3.37Å; W165-L167 HydrophobicContact CH2-CG 3.67Å; W165-L167 HydrophobicContact CZ2-CB 3.71Å; W165-L167 HydrophobicContact CZ2-CD1 3.81Å; W165-L167 HydrophobicContact CZ2-CD2 4.11Å; W165-L167 HydrophobicContact CZ2-CG 4.05Å; W165-L167 HydrophobicContact CZ3-CB 3.38Å; W165-L167 HydrophobicContact CZ3-CD2 3.95Å; W165-L167 HydrophobicContact CZ3-CG 4.17Å
166	N	79.9	Confident	75.5	Confident	61 Å²	61	60.2 Å²	60.2	33%	0.326	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	127.2	174	-177.2	18.3	0	0	0	108.1	T53 S54 L153	T53-N166 WeakPolarHBondContact CA-O 3.44Å; S54-N166 PolarHBondContact N-O 3.1Å; L153-N166 WeakPolarHBondContact O-CA 3.32Å
167	L	85.5	Confident	74.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.7	-179.6	-178.4	79.8	0	0	0	110.7	L51 K52 T53 P65 I87 K152 L153 W165	L51-L167 HydrophobicContact CD2-CD1 4.15Å; L51-L167 HydrophobicContact CD2-CD2 4.33Å; K52-L167 CarbonylContact O-C 3.55Å; K52-L167 VanDerWaalsContact O-CA 3.31Å; K52-L167 WeakPolarHBondContact O-CA 3.46Å; T53-L167 HydrophobicContact CG2-CD1 4.26Å; P65-L167 HydrophobicContact CB-CD2 3.83Å; P65-L167 HydrophobicContact CG-CD1 3.88Å; P65-L167 HydrophobicContact CG-CD2 4.1Å; I87-L167 HydrophobicContact CD1-CD2 3.24Å; I87-L167 HydrophobicContact CG1-CD2 4Å; K152-L167 CarbonylContact C-O 3.53Å; K152-L167 WeakPolarHBondContact CA-O 3.45Å; L153-L167 PolarHBondContact N-O 2.94Å; L153-L167 PolarHBondContact O-N 3.08Å; W165-L167 HydrophobicContact CD2-CB 4.3Å; W165-L167 HydrophobicContact CE3-CB 3.87Å; W165-L167 HydrophobicContact CH2-CB 3.34Å; W165-L167 HydrophobicContact CH2-CD1 3.93Å; W165-L167 HydrophobicContact CH2-CD2 3.37Å; W165-L167 HydrophobicContact CH2-CG 3.67Å; W165-L167 HydrophobicContact CZ2-CB 3.71Å; W165-L167 HydrophobicContact CZ2-CD1 3.81Å; W165-L167 HydrophobicContact CZ2-CD2 4.11Å; W165-L167 HydrophobicContact CZ2-CG 4.05Å; W165-L167 HydrophobicContact CZ3-CB 3.38Å; W165-L167 HydrophobicContact CZ3-CD2 3.95Å; W165-L167 HydrophobicContact CZ3-CG 4.17Å
168	T	87.1	Confident	74.2	Confident	21 Å²	21	60.6 Å²	60.6	13%	0.129	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131	159.6	-51	0	0	0	0	109.9	L51 K52 E150 Y151 K152	L51-T168 WeakPolarHBondContact CA-O 3.2Å; K52-T168 PolarHBondContact N-O 3.33Å; K52-T168 VanDerWaalsContact N-O 3.09Å; K52-T168 PolarHBondContact O-N 3.49Å; E150-T168 HydrophobicContact CG-CG2 3.42Å; E150-T168 VanDerWaalsContact CG-CG2 3.42Å; Y151-T168 CarbonylContact O-C 3.58Å; Y151-T168 WeakPolarHBondContact O-CA 3.36Å; K152-T168 HydrophobicContact CG-CG2 4.27Å
169	Y	90.1	Very high	73.4	Confident	3 Å²	3	62.4 Å²	62.4	1%	0.012	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.9	174.4	170.7	-103.4	0	0	0	109.7	I50 L51 Q68 G70 I87 P88 Y151 Q171	I50-Y169 VanDerWaalsContact O-CA 3.3Å; I50-Y169 WeakPolarHBondContact O-CA 3.46Å; L51-Y169 HydrophobicContact CD2-CD2 3.83Å; Q68-Y169 PolarHBondContact O-OH 3.26Å; Q68-Y169 VanDerWaalsContact O-OH 3.14Å; G70-Y169 PolarHBondContact N-OH 3.38Å; I87-Y169 HydrophobicContact CD1-CG 4.25Å; I87-Y169 HydrophobicContact CG2-CD1 4.43Å; I87-Y169 HydrophobicContact CG2-CG 4.49Å; P88-Y169 HydrophobicContact CG-CD1 4.29Å; P88-Y169 HydrophobicContact CG-CE1 3.99Å; Y151-Y169 AromaticContact CD2-CD1 3.82Å; Y151-Y169 HydrophobicContact CD2-CD1 3.82Å; Y151-Y169 HydrophobicContact CD2-CE1 4.34Å; Y151-Y169 HydrophobicContact CG-CD1 4.43Å; Y151-Y169 PolarHBondContact N-O 2.9Å; Y151-Y169 PolarHBondContact O-N 3.19Å; Y169-Q171 HydrophobicContact CE1-CB 4.13Å
170	V	88.4	Confident	72.4	Confident	5 Å²	5	65 Å²	65	3%	0.03	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.8	-174.8	179.3	0	0	0	0	110.9	I50 R148 S149 E150	I50-V170 HydrophobicContact CB-CB 4.45Å; I50-V170 HydrophobicContact CG1-CB 4.33Å; I50-V170 HydrophobicContact CG2-CB 4.14Å; I50-V170 WeakPolarHBondContact CG2-O 3.08Å; I50-V170 PolarHBondContact O-N 3.04Å; R148-V170 HydrophobicContact CG-CG1 3.73Å; R148-V170 VanDerWaalsContact NH2-CG2 3.28Å; S149-V170 WeakPolarHBondContact O-CA 3.19Å; E150-V170 HydrophobicContact CG-CG2 4.26Å
171	Q	86.9	Confident	71.8	Confident	22 Å²	22	63.8 Å²	63.8	10%	0.103	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	139.9	177.1	-178.4	172	-9.5	0	0	111.2	S149 Y151 Y169 A173	S149-Q171 PolarHBondContact N-O 3.19Å; S149-Q171 PolarHBondContact O-N 3.05Å; Y151-Q171 HydrophobicContact CE2-CB 4.44Å; Y169-Q171 HydrophobicContact CE1-CB 4.13Å; Q171-A173 WeakPolarHBondContact CG-O 3.33Å; Q171-A173 PolarHBondContact NE2-O 3.07Å
172	Y	84.5	Confident	72	Confident	9 Å²	9	69.3 Å²	69.3	4%	0.035	36%	0.361	C	S	.	.	S	Bend	trans	-102.4	-14.8	-177.6	-64	-72.6	0	0	0	115.3	L31 Q47 I50 L113 I146 G147 R148 Y220	L31-Y172 HydrophobicContact CD1-CE2 4.47Å; Q47-Y172 WeakPolarHBondContact CG-OH 3.47Å; I50-Y172 HydrophobicContact CD1-CE2 4.07Å; L113-Y172 HydrophobicContact CD1-CD1 4.33Å; L113-Y172 HydrophobicContact CD1-CE1 3.71Å; I146-Y172 HydrophobicContact CG2-CD1 4.28Å; G147-Y172 CarbonylContact O-C 3.6Å; G147-Y172 WeakPolarHBondContact O-CA 3.26Å; R148-Y172 HydrophobicContact CB-CD1 4.11Å; R148-Y172 HydrophobicContact CB-CE1 4.22Å; R148-Y172 HydrophobicContact CG-CD1 4.23Å; R148-Y172 HydrophobicContact CG-CE1 4Å; Y172-Y220 HydrophobicContact CD2-CE2 4.38Å
173	A	77.3	Confident	72.7	Confident	8 Å²	8	62.3 Å²	62.3	7%	0.066	33%	0.334	C	S	.	.			trans	-132.8	131.9	-176.1	0	0	0	0	0	110.7	Q171 Y220 L227 R229	Q171-A173 WeakPolarHBondContact CG-O 3.33Å; Q171-A173 PolarHBondContact NE2-O 3.07Å; A173-Y220 HydrophobicContact CB-CD1 3.56Å; A173-Y220 HydrophobicContact CB-CE1 3.69Å; A173-L227 HydrophobicContact CB-CB 4.29Å; A173-L227 WeakPolarHBondContact CB-O 3Å; A173-R229 HydrophobicContact CB-CB 4.33Å
174	S	64.1	Low	73.8	Confident	118 Å²	118	55.9 Å²	55.9	83%	0.825	32%	0.32	S	S	*	.	S	Bend	trans	-88.1	-13.9	174.4	57.9	0	0	0	0	113.2
175	K	71.8	Confident	74.8	Confident	110 Å²	110	54.1 Å²	54.1	48%	0.478	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.8	-176.8	-60	179.7	-169.9	171.1	0	111.4	D225 R228 R229	K175-D225 IonicContact NZ-OD2 2.68Å; K175-D225 PolarHBondContact NZ-OD2 3.1Å; K175-R228 WeakPolarHBondContact O-CA 3.45Å; K175-R229 PolarHBondContact O-N 2.86Å
176	N	69.8	Low	75.5	Confident	69 Å²	69	55.8 Å²	55.8	37%	0.369	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	154.3	167.1	-60.2	-42.9	0	0	0	110.2	W628	N176-W628 PolarHBondContact ND2-NE1 3.22Å
177	A	66.4	Low	76.2	Confident	18 Å²	18	53 Å²	53	15%	0.149	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-61.5	138.2	165.4	0	0	0	0	0	108.7	A179 R228 R229 L230	A177-A179 PolarHBondContact O-N 3.22Å; A177-R228 HydrophobicContact CB-CB 4.35Å; A177-R229 PolarHBondContact N-O 3.12Å; A177-L230 HydrophobicContact CB-CD2 3.88Å
178	P	62.3	Low	76.6	Confident	60 Å²	60	53.7 Å²	53.7	39%	0.39	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-58.9	141.3	177.6	21.9	-28.7	0	0	0	109.8	Q180 S181	P178-Q180 PolarHBondContact O-N 3.39Å; P178-S181 WeakPolarHBondContact O-CB 3.23Å; P178-S181 PolarHBondContact O-N 2.87Å; P178-S181 PolarHBondContact O-OG 2.95Å
179	A	56.7	Low	76.9	Confident	113 Å²	113	52.7 Å²	52.7	93%	0.934	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-20.1	-179.4	0	0	0	0	0	113.3	A177	A177-A179 PolarHBondContact O-N 3.22Å
180	Q	50.7	Low	77	Confident	188 Å²	188	52.6 Å²	52.6	88%	0.879	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	41.8	173.9	-70.6	171.9	-25.1	0	0	111.1	P178	P178-Q180 PolarHBondContact O-N 3.39Å
181	S	56.4	Low	76.9	Confident	37 Å²	37	52.5 Å²	52.5	26%	0.259	30%	0.304	S	S	.	.			trans	-78.4	145.4	166.7	42.5	0	0	0	0	109	P178 Y183	P178-S181 WeakPolarHBondContact O-CB 3.23Å; P178-S181 PolarHBondContact O-N 2.87Å; P178-S181 PolarHBondContact O-OG 2.95Å; S181-Y183 PolarHBondContact O-N 2.91Å
182	D	65.6	Low	76.8	Confident	175 Å²	175	53.1 Å²	53.1	94%	0.936	31%	0.31	S	S	*	.			trans	-65	20.3	171.3	-63	-33.6	0	0	0	112.9	A184	D182-A184 PolarHBondContact O-N 3.29Å
183	Y	79	Confident	76.7	Confident	31 Å²	31	54.7 Å²	54.7	12%	0.122	32%	0.319	C	S	.	.			trans	-77.3	103	-179.6	-168.1	-100.9	0	0	0	109.5	S181 F185 H187 L230	S181-Y183 PolarHBondContact O-N 2.91Å; Y183-F185 HydrophobicContact CD1-CB 4.31Å; Y183-F185 VanDerWaalsContact CD1-O 3.27Å; Y183-F185 WeakPolarHBondContact CD1-O 3.05Å; Y183-F185 HydrophobicContact CE1-CB 3.66Å; Y183-F185 HydrophobicContact CE1-CD2 4.23Å; Y183-F185 HydrophobicContact CE1-CG 4.45Å; Y183-F185 VanDerWaalsContact CE1-O 3.31Å; Y183-F185 WeakPolarHBondContact CE1-O 3.47Å; Y183-F185 HydrophobicContact CE2-CD2 4.15Å; Y183-F185 AromaticContact CZ-CD2 3.84Å; Y183-F185 PolarHBondContact O-N 2.81Å; Y183-F185 VanDerWaalsContact O-N 3.1Å; Y183-H187 AromaticContact CE1-CE1 3.82Å; Y183-H187 AromaticContact CE1-NE2 3.21Å; Y183-H187 WeakPolarHBondContact CE1-NE2 3.4Å; Y183-H187 AromaticContact CZ-CE1 3.89Å; Y183-H187 AromaticContact CZ-NE2 3.5Å; Y183-H187 PolarHBondContact OH-CE1 2.82Å; Y183-H187 PolarHBondContact OH-NE2 2.85Å; Y183-L230 HydrophobicContact CD1-CD2 4Å; Y183-L230 HydrophobicContact CD2-CD2 4.35Å; Y183-L230 HydrophobicContact CE1-CD1 3.86Å; Y183-L230 HydrophobicContact CE1-CD2 4.18Å; Y183-L230 HydrophobicContact CE2-CD1 4.07Å; Y183-L230 HydrophobicContact CG-CD2 4.1Å
184	A	84.2	Confident	77.3	Confident	45 Å²	45	54.3 Å²	54.3	37%	0.372	32%	0.316	S	S	.	.			trans	-77.8	13.9	-169.9	0	0	0	0	0	115	D182 S201	D182-A184 PolarHBondContact O-N 3.29Å; A184-S201 VanDerWaalsContact C-OG 3.3Å; A184-S201 PolarHBondContact O-N 2.86Å; A184-S201 PolarHBondContact O-OG 2.82Å
185	F	89.4	Confident	78.7	Confident	32 Å²	32	49.7 Å²	49.7	14%	0.14	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.8	-174	-50.1	-62.2	0	0	0	113.1	V37 Y183 T198 V199 M207	V37-F185 HydrophobicContact CG2-CZ 4.31Å; Y183-F185 HydrophobicContact CD1-CB 4.31Å; Y183-F185 VanDerWaalsContact CD1-O 3.27Å; Y183-F185 WeakPolarHBondContact CD1-O 3.05Å; Y183-F185 HydrophobicContact CE1-CB 3.66Å; Y183-F185 HydrophobicContact CE1-CD2 4.23Å; Y183-F185 HydrophobicContact CE1-CG 4.45Å; Y183-F185 VanDerWaalsContact CE1-O 3.31Å; Y183-F185 WeakPolarHBondContact CE1-O 3.47Å; Y183-F185 HydrophobicContact CE2-CD2 4.15Å; Y183-F185 AromaticContact CZ-CD2 3.84Å; Y183-F185 PolarHBondContact O-N 2.81Å; Y183-F185 VanDerWaalsContact O-N 3.1Å; F185-T198 HydrophobicContact CB-CG2 3.73Å; F185-T198 HydrophobicContact CD1-CG2 4.34Å; F185-T198 HydrophobicContact CG-CG2 4.07Å; F185-V199 CarbonylContact C-O 3.51Å; F185-V199 VanDerWaalsContact CA-O 3.23Å; F185-V199 WeakPolarHBondContact CA-O 3.39Å; F185-M207 HydrophobicContact CD1-CG 3.89Å; F185-M207 HydrophobicContact CE1-CE 4.06Å; F185-M207 HydrophobicContact CE1-CG 3.79Å; F185-M207 HydrophobicContact CE1-SD 4.31Å
186	E	89.8	Confident	79.9	Confident	47 Å²	47	44.5 Å²	44.5	22%	0.22	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	150.7	166.8	-66.4	-163.2	151.4	0	0	110.6	Y188 T198 V199 R626	E186-Y188 HydrophobicContact CB-CE2 3.79Å; E186-Y188 PolarHBondContact OE2-OH 3.38Å; E186-T198 WeakPolarHBondContact O-CA 3.49Å; E186-V199 HydrophobicContact CB-CG2 3.84Å; E186-V199 PolarHBondContact N-O 2.94Å; E186-V199 PolarHBondContact O-N 2.97Å; E186-R626 IonicContact OE1-NH1 3.14Å
187	H	93.3	Very high	81.1	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.009	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.5	-173.4	-51	-65	0	0	0	112.7	Y183 L196 V197 T198 M219 L232 H233	Y183-H187 AromaticContact CE1-CE1 3.82Å; Y183-H187 AromaticContact CE1-NE2 3.21Å; Y183-H187 WeakPolarHBondContact CE1-NE2 3.4Å; Y183-H187 AromaticContact CZ-CE1 3.89Å; Y183-H187 AromaticContact CZ-NE2 3.5Å; Y183-H187 PolarHBondContact OH-CE1 2.82Å; Y183-H187 PolarHBondContact OH-NE2 2.85Å; H187-L196 HydrophobicContact CB-CD1 4.27Å; H187-V197 WeakPolarHBondContact CA-O 3.33Å; H187-T198 WeakPolarHBondContact ND1-CG2 3.36Å; H187-T198 PolarHBondContact ND1-OG1 3.25Å; H187-M219 HydrophobicContact CB-CE 4.18Å; H187-M219 HydrophobicContact CB-SD 3.36Å; H187-M219 WeakPolarHBondContact CB-SD 3.46Å; H187-M219 VanDerWaalsContact CD2-CE 3.49Å; H187-M219 WeakPolarHBondContact CD2-CE 3.42Å; H187-M219 VanDerWaalsContact CD2-SD 3.53Å; H187-M219 WeakPolarHBondContact CE1-CE 3.28Å; H187-M219 VanDerWaalsContact CG-CE 3.43Å; H187-M219 VanDerWaalsContact ND1-CE 3.33Å; H187-M219 WeakPolarHBondContact ND1-CE 3.47Å; H187-M219 WeakPolarHBondContact NE2-CE 3.35Å; H187-L232 HydrophobicContact CB-CD1 3.93Å; H187-H233 PolarHBondContact O-N 3.4Å
188	Y	93.8	Very high	82.4	Confident	14 Å²	14	40.3 Å²	40.3	6%	0.055	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	117.9	-176.9	-63.5	-95.3	0	0	0	110.3	E186 L196 V197 V199 H233 L235 F257	E186-Y188 HydrophobicContact CB-CE2 3.79Å; E186-Y188 PolarHBondContact OE2-OH 3.38Å; Y188-L196 CarbonylContact O-C 3.59Å; Y188-L196 WeakPolarHBondContact O-CA 3.33Å; Y188-V197 PolarHBondContact N-O 2.87Å; Y188-V197 PolarHBondContact O-N 2.81Å; Y188-V199 HydrophobicContact CD2-CG1 4.5Å; Y188-V199 HydrophobicContact CD2-CG2 4.1Å; Y188-V199 HydrophobicContact CE2-CG2 3.6Å; Y188-H233 CarbonylContact C-O 3.38Å; Y188-H233 VanDerWaalsContact CA-O 3.29Å; Y188-H233 WeakPolarHBondContact CA-O 3.35Å; Y188-H233 HydrophobicContact CD1-CB 3.56Å; Y188-H233 HydrophobicContact CE1-CB 3.78Å; Y188-H233 AromaticContact CE1-CD2 3.85Å; Y188-H233 AromaticContact CE1-CG 4Å; Y188-H233 HydrophobicContact CG-CB 4.26Å; Y188-H233 AromaticContact CZ-CD2 3.87Å; Y188-L235 HydrophobicContact CD1-CD1 3.91Å; Y188-L235 HydrophobicContact CD1-CG 4.27Å; Y188-F257 AromaticContact CD1-CD1 3.93Å; Y188-F257 HydrophobicContact CD1-CD1 3.93Å; Y188-F257 HydrophobicContact CD1-CE1 4.36Å; Y188-F257 AromaticContact CD2-CD1 3.6Å; Y188-F257 HydrophobicContact CD2-CD1 3.6Å; Y188-F257 HydrophobicContact CD2-CE1 4.06Å; Y188-F257 HydrophobicContact CE1-CD1 4.05Å; Y188-F257 HydrophobicContact CE2-CB 4.21Å; Y188-F257 AromaticContact CE2-CD1 3.78Å; Y188-F257 HydrophobicContact CE2-CD1 3.78Å; Y188-F257 HydrophobicContact CE2-CG 4.38Å; Y188-F257 AromaticContact CG-CD1 3.7Å; Y188-F257 HydrophobicContact CG-CD1 3.7Å; Y188-F257 AromaticContact CG-CE1 3.91Å; Y188-F257 HydrophobicContact CG-CE1 3.91Å; Y188-F257 PolarHBondContact OH-O 3.43Å
189	S	94.5	Very high	83.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143.6	-178.5	167.5	0	0	0	0	111.2	L195 V216 H233 V234 L235	S189-L195 CarbonylContact C-O 3.56Å; S189-L195 WeakPolarHBondContact CA-O 3.39Å; S189-V216 PolarHBondContact OG-O 2.94Å; S189-H233 PolarHBondContact N-O 2.72Å; S189-V234 CarbonylContact O-C 3.57Å; S189-V234 WeakPolarHBondContact O-CA 3.44Å; S189-L235 PolarHBondContact O-N 2.81Å
190	S	91.6	Very high	85.3	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	137.1	169.2	158.5	0	0	0	0	111.1	S192 D193 L195 S237	S190-S192 PolarHBondContact O-N 2.99Å; S190-S192 PolarHBondContact OG-N 2.8Å; S190-D193 WeakPolarHBondContact CB-OD1 3.4Å; S190-D193 VanDerWaalsContact OG-CG 3.28Å; S190-D193 PolarHBondContact OG-N 2.82Å; S190-D193 PolarHBondContact OG-OD1 2.89Å; S190-L195 PolarHBondContact N-O 2.93Å; S190-S237 VanDerWaalsContact OG-CB 3.23Å; S190-S237 WeakPolarHBondContact OG-CB 3.36Å; S190-S237 PolarHBondContact OG-OG 2.79Å
191	C	87.5	Confident	87	Confident	4 Å²	4	27 Å²	27	3%	0.027	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-14.8	179.2	69	0	0	0	0	114.5	I215 V234 L235 F269 L280 P282	C191-I215 WeakPolarHBondContact O-CD1 3.46Å; C191-V234 HydrophobicContact CB-CG1 3.68Å; C191-L235 PolarHBondContact N-O 3.49Å; C191-F269 HydrophobicContact CB-CB 4.41Å; C191-F269 HydrophobicContact CB-CD1 4.17Å; C191-F269 HydrophobicContact CB-CG 4.14Å; C191-F269 WeakPolarHBondContact O-CE1 3.1Å; C191-L280 HydrophobicContact CB-CD1 4.36Å; C191-P282 HydrophobicContact CB-CB 3.99Å; C191-P282 HydrophobicContact CB-CG 4.13Å
192	S	83.1	Confident	88.3	Confident	34 Å²	34	29.3 Å²	29.3	24%	0.238	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-22.2	-168.2	82.6	0	0	0	0	117.1	S190 I215 S237 Y349	S190-S192 PolarHBondContact O-N 2.99Å; S190-S192 PolarHBondContact OG-N 2.8Å; S192-I215 VanDerWaalsContact CA-CD1 3.49Å; S192-I215 WeakPolarHBondContact O-CD1 3.15Å; S192-S237 WeakPolarHBondContact CB-OG 3.39Å; S192-S237 PolarHBondContact OG-OG 2.87Å; S192-Y349 WeakPolarHBondContact OG-CD1 3.38Å; S192-Y349 WeakPolarHBondContact OG-CE1 3.19Å
193	D	82.9	Confident	89.1	Confident	42 Å²	42	24.4 Å²	24.4	23%	0.225	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-3.9	-168.2	70.5	2.3	0	0	0	115.4	S190 L195 N211	S190-D193 WeakPolarHBondContact CB-OD1 3.4Å; S190-D193 VanDerWaalsContact OG-CG 3.28Å; S190-D193 PolarHBondContact OG-N 2.82Å; S190-D193 PolarHBondContact OG-OD1 2.89Å; D193-L195 VanDerWaalsContact OD1-CB 3.3Å; D193-L195 WeakPolarHBondContact OD1-CB 3.29Å; D193-L195 PolarHBondContact OD1-N 2.87Å; D193-N211 PolarHBondContact O-ND2 3.49Å; D193-N211 PolarHBondContact O-OD1 2.81Å
194	G	89.8	Confident	89.4	Confident	0 Å²	0	23 Å²	23	0%	0	15%	0.146	C	C	.	.			trans	80.1	10.9	178.9	0	0	0	0	0	115.1	L196 F212 S214	G194-L196 PolarHBondContact O-N 3Å; G194-F212 PolarHBondContact O-N 2.84Å; G194-S214 WeakPolarHBondContact CA-O 3.49Å
195	L	95	Very high	89.5	Confident	22 Å²	22	29.3 Å²	29.3	12%	0.115	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	125.2	169.5	-179.6	63.6	0	0	0	110.4	S189 S190 D193 V197 K209 N211 L240 I244	S189-L195 CarbonylContact C-O 3.56Å; S189-L195 WeakPolarHBondContact CA-O 3.39Å; S190-L195 PolarHBondContact N-O 2.93Å; D193-L195 VanDerWaalsContact OD1-CB 3.3Å; D193-L195 WeakPolarHBondContact OD1-CB 3.29Å; D193-L195 PolarHBondContact OD1-N 2.87Å; L195-V197 HydrophobicContact CG-CG2 4.31Å; L195-K209 HydrophobicContact CD1-CB 4.46Å; L195-N211 HydrophobicContact CD1-CB 4.43Å; L195-L240 HydrophobicContact CB-CD2 4.49Å; L195-L240 HydrophobicContact CD2-CD2 4.03Å; L195-L240 HydrophobicContact CD2-CG 4.36Å; L195-L240 HydrophobicContact CG-CD2 4.15Å; L195-I244 HydrophobicContact CD2-CD1 3.82Å
196	L	96.1	Very high	89.6	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.3	171.3	-177	65.3	0	0	0	109.1	V24 H187 Y188 G194 W208 K209 R210 F212 V216 M219 L232	V24-L196 HydrophobicContact CG1-CD2 4.1Å; V24-L196 HydrophobicContact CG2-CD2 3.99Å; H187-L196 HydrophobicContact CB-CD1 4.27Å; Y188-L196 CarbonylContact O-C 3.59Å; Y188-L196 WeakPolarHBondContact O-CA 3.33Å; G194-L196 PolarHBondContact O-N 3Å; L196-W208 HydrophobicContact CD2-CH2 3.77Å; L196-W208 HydrophobicContact CD2-CZ3 3.89Å; L196-W208 HydrophobicContact CG-CH2 4.36Å; L196-W208 HydrophobicContact CG-CZ3 4.14Å; L196-K209 CarbonylContact O-C 3.4Å; L196-K209 VanDerWaalsContact O-CA 3.28Å; L196-K209 WeakPolarHBondContact O-CA 3.45Å; L196-R210 PolarHBondContact N-O 2.89Å; L196-R210 PolarHBondContact O-N 2.86Å; L196-F212 HydrophobicContact CB-CD2 4.14Å; L196-F212 HydrophobicContact CB-CE2 3.8Å; L196-F212 HydrophobicContact CD2-CE2 3.76Å; L196-F212 HydrophobicContact CD2-CZ 4.43Å; L196-F212 HydrophobicContact CG-CE2 4.44Å; L196-V216 HydrophobicContact CB-CG2 4.28Å; L196-V216 HydrophobicContact CD1-CG1 4.39Å; L196-M219 HydrophobicContact CD1-SD 3.79Å; L196-M219 HydrophobicContact CD2-CE 4.05Å; L196-M219 HydrophobicContact CD2-SD 3.7Å; L196-M219 HydrophobicContact CG-SD 4.31Å; L196-L232 HydrophobicContact CD1-CD1 3.72Å
197	V	95.1	Very high	89.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128	176	-177.3	0	0	0	0	108.1	H187 Y188 L195 V199 I206 K209 L240 I244 F257	H187-V197 WeakPolarHBondContact CA-O 3.33Å; Y188-V197 PolarHBondContact N-O 2.87Å; Y188-V197 PolarHBondContact O-N 2.81Å; L195-V197 HydrophobicContact CG-CG2 4.31Å; V197-V199 HydrophobicContact CG1-CG1 4.13Å; V197-I206 HydrophobicContact CG1-CB 4.42Å; V197-I206 HydrophobicContact CG1-CD1 4.1Å; V197-I206 HydrophobicContact CG1-CG1 3.68Å; V197-I206 HydrophobicContact CG1-CG2 3.96Å; V197-K209 HydrophobicContact CG2-CB 4.06Å; V197-L240 HydrophobicContact CB-CD1 4.38Å; V197-L240 HydrophobicContact CG2-CD1 3.98Å; V197-L240 HydrophobicContact CG2-CD2 4.28Å; V197-L240 HydrophobicContact CG2-CG 4.34Å; V197-I244 HydrophobicContact CG2-CD1 3.59Å; V197-I244 HydrophobicContact CG2-CG1 4.02Å; V197-F257 HydrophobicContact CG1-CE1 4.38Å; V197-F257 HydrophobicContact CG1-CZ 4.06Å
198	T	94.2	Very high	89.7	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.2	174	-64.9	0	0	0	0	108.7	F185 E186 H187 M207 W208	F185-T198 HydrophobicContact CB-CG2 3.73Å; F185-T198 HydrophobicContact CD1-CG2 4.34Å; F185-T198 HydrophobicContact CG-CG2 4.07Å; E186-T198 WeakPolarHBondContact O-CA 3.49Å; H187-T198 WeakPolarHBondContact ND1-CG2 3.36Å; H187-T198 PolarHBondContact ND1-OG1 3.25Å; T198-M207 PolarHBondContact O-N 2.85Å; T198-W208 VanDerWaalsContact CB-CE2 3.41Å; T198-W208 HydrophobicContact CG2-CZ2 4.05Å; T198-W208 PolarHBondContact N-O 2.84Å; T198-W208 PolarHBondContact O-N 2.81Å; T198-W208 VanDerWaalsContact OG1-CE2 3.28Å; T198-W208 WeakPolarHBondContact OG1-CH2 3.4Å; T198-W208 WeakPolarHBondContact OG1-CZ2 3.17Å
199	V	91.9	Very high	89.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	151.3	179.3	-56.5	0	0	0	0	110.3	F185 E186 Y188 V197 S201 G204 R205 I206 F257	F185-V199 CarbonylContact C-O 3.51Å; F185-V199 VanDerWaalsContact CA-O 3.23Å; F185-V199 WeakPolarHBondContact CA-O 3.39Å; E186-V199 HydrophobicContact CB-CG2 3.84Å; E186-V199 PolarHBondContact N-O 2.94Å; E186-V199 PolarHBondContact O-N 2.97Å; Y188-V199 HydrophobicContact CD2-CG1 4.5Å; Y188-V199 HydrophobicContact CD2-CG2 4.1Å; Y188-V199 HydrophobicContact CE2-CG2 3.6Å; V197-V199 HydrophobicContact CG1-CG1 4.13Å; V199-S201 PolarHBondContact O-N 3.03Å; V199-G204 WeakPolarHBondContact CB-O 3.4Å; V199-G204 WeakPolarHBondContact CG1-O 3.24Å; V199-R205 CarbonylContact C-O 3.46Å; V199-R205 WeakPolarHBondContact CA-O 3.12Å; V199-I206 HydrophobicContact CG1-CG1 3.9Å; V199-F257 HydrophobicContact CG1-CB 4.44Å; V199-F257 HydrophobicContact CG1-CD1 4.2Å; V199-F257 HydrophobicContact CG1-CD2 3.96Å; V199-F257 HydrophobicContact CG1-CE1 4.46Å; V199-F257 HydrophobicContact CG1-CE2 4.26Å; V199-F257 HydrophobicContact CG1-CG 3.94Å; V199-F257 HydrophobicContact CG1-CZ 4.49Å; V199-F257 HydrophobicContact CG2-CB 4.48Å
200	D	88.2	Confident	89.7	Confident	35 Å²	35	41.4 Å²	41.4	19%	0.187	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	127	168.4	175.3	-89.5	0	0	0	109.7	A202 T203 G204 R205 M207	D200-A202 VanDerWaalsContact C-N 3.26Å; D200-A202 PolarHBondContact O-N 2.83Å; D200-A202 PolarHBondContact OD1-N 2.79Å; D200-A202 VanDerWaalsContact OD1-N 3.16Å; D200-T203 WeakPolarHBondContact CB-OG1 3.44Å; D200-T203 VanDerWaalsContact CG-OG1 3.32Å; D200-T203 WeakPolarHBondContact OD1-CB 3.27Å; D200-T203 WeakPolarHBondContact OD1-CG2 3.22Å; D200-T203 PolarHBondContact OD1-N 3.17Å; D200-T203 PolarHBondContact OD1-OG1 3.31Å; D200-G204 WeakPolarHBondContact O-CA 3.14Å; D200-G204 PolarHBondContact O-N 2.89Å; D200-R205 PolarHBondContact N-O 2.89Å; D200-M207 HydrophobicContact CB-CG 4.26Å; D200-M207 HydrophobicContact CB-SD 4.05Å
201	S	85.2	Confident	89.8	Confident	46 Å²	46	45.1 Å²	45.1	32%	0.322	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.1	-172	62.9	0	0	0	0	113.6	A184 V199	A184-S201 VanDerWaalsContact C-OG 3.3Å; A184-S201 PolarHBondContact O-N 2.86Å; A184-S201 PolarHBondContact O-OG 2.82Å; V199-S201 PolarHBondContact O-N 3.03Å
202	A	83.5	Confident	90.1	Very high	85 Å²	85	45.5 Å²	45.5	70%	0.702	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-38.2	-179.7	0	0	0	0	0	112.5	D200	D200-A202 VanDerWaalsContact C-N 3.26Å; D200-A202 PolarHBondContact O-N 2.83Å; D200-A202 PolarHBondContact OD1-N 2.79Å; D200-A202 VanDerWaalsContact OD1-N 3.16Å
203	T	83.8	Confident	90.3	Very high	73 Å²	73	53.1 Å²	53.1	45%	0.448	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-19.4	-173.5	64.3	0	0	0	0	113.5	D200 R205	D200-T203 WeakPolarHBondContact CB-OG1 3.44Å; D200-T203 VanDerWaalsContact CG-OG1 3.32Å; D200-T203 WeakPolarHBondContact OD1-CB 3.27Å; D200-T203 WeakPolarHBondContact OD1-CG2 3.22Å; D200-T203 PolarHBondContact OD1-N 3.17Å; D200-T203 PolarHBondContact OD1-OG1 3.31Å; T203-R205 PolarHBondContact O-N 3.01Å; T203-R205 PolarHBondContact OG1-N 2.74Å
204	G	83.8	Confident	90.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.256	C	S	.	.			trans	74.8	-3	-174.4	0	0	0	0	0	114.4	V199 D200 I206 Q247 D255	V199-G204 WeakPolarHBondContact CB-O 3.4Å; V199-G204 WeakPolarHBondContact CG1-O 3.24Å; D200-G204 WeakPolarHBondContact O-CA 3.14Å; D200-G204 PolarHBondContact O-N 2.89Å; G204-I206 PolarHBondContact O-N 2.77Å; G204-Q247 PolarHBondContact O-NE2 3.46Å; G204-D255 VanDerWaalsContact CA-CG 3.41Å; G204-D255 WeakPolarHBondContact CA-OD1 3.18Å
205	R	86.6	Confident	90.8	Very high	179 Å²	179	52.1 Å²	52.1	68%	0.675	26%	0.258	S	S	*	.			trans	-62.4	133.4	-178.6	-72.5	-176.8	172.6	-177.8	-1	111.6	V199 D200 T203 M207	V199-R205 CarbonylContact C-O 3.46Å; V199-R205 WeakPolarHBondContact CA-O 3.12Å; D200-R205 PolarHBondContact N-O 2.89Å; T203-R205 PolarHBondContact O-N 3.01Å; T203-R205 PolarHBondContact OG1-N 2.74Å; R205-M207 PolarHBondContact O-N 2.85Å
206	I	91.1	Very high	90.7	Very high	43 Å²	43	51.1 Å²	51.1	22%	0.221	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	118.9	172.6	-66.4	164.7	0	0	0	109.7	V197 V199 G204 I244 Q247 F257	V197-I206 HydrophobicContact CG1-CB 4.42Å; V197-I206 HydrophobicContact CG1-CD1 4.1Å; V197-I206 HydrophobicContact CG1-CG1 3.68Å; V197-I206 HydrophobicContact CG1-CG2 3.96Å; V199-I206 HydrophobicContact CG1-CG1 3.9Å; G204-I206 PolarHBondContact O-N 2.77Å; I206-I244 HydrophobicContact CD1-CB 4.32Å; I206-I244 HydrophobicContact CD1-CG1 4.15Å; I206-I244 HydrophobicContact CD1-CG2 4.03Å; I206-Q247 VanDerWaalsContact CD1-OE1 3.25Å; I206-F257 HydrophobicContact CD1-CE2 3.88Å; I206-F257 HydrophobicContact CD1-CZ 4.26Å; I206-F257 HydrophobicContact CG1-CE2 3.92Å; I206-F257 HydrophobicContact CG1-CZ 4.37Å
207	M	91.7	Very high	90.5	Very high	77 Å²	77	51.2 Å²	51.2	38%	0.379	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-48.2	173	-63.5	-58.6	-64	0	0	110.4	V37 F185 T198 D200 R205	V37-M207 HydrophobicContact CG1-CE 4.29Å; F185-M207 HydrophobicContact CD1-CG 3.89Å; F185-M207 HydrophobicContact CE1-CE 4.06Å; F185-M207 HydrophobicContact CE1-CG 3.79Å; F185-M207 HydrophobicContact CE1-SD 4.31Å; T198-M207 PolarHBondContact O-N 2.85Å; D200-M207 HydrophobicContact CB-CG 4.26Å; D200-M207 HydrophobicContact CB-SD 4.05Å; R205-M207 PolarHBondContact O-N 2.85Å
208	W	94.1	Very high	90.3	Very high	17 Å²	17	51.2 Å²	51.2	6%	0.064	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	160.1	176.8	52.3	-95	0	0	0	111.1	V22 L34 S36 S38 L196 T198 R210	V22-W208 HydrophobicContact CG1-CZ2 4.39Å; L34-W208 HydrophobicContact CD1-CH2 3.83Å; L34-W208 HydrophobicContact CD1-CZ2 4.41Å; L34-W208 HydrophobicContact CD1-CZ3 4.34Å; S36-W208 PolarHBondContact O-NE1 2.78Å; S38-W208 WeakPolarHBondContact O-CB 3.45Å; L196-W208 HydrophobicContact CD2-CH2 3.77Å; L196-W208 HydrophobicContact CD2-CZ3 3.89Å; L196-W208 HydrophobicContact CG-CH2 4.36Å; L196-W208 HydrophobicContact CG-CZ3 4.14Å; T198-W208 VanDerWaalsContact CB-CE2 3.41Å; T198-W208 HydrophobicContact CG2-CZ2 4.05Å; T198-W208 PolarHBondContact N-O 2.84Å; T198-W208 PolarHBondContact O-N 2.81Å; T198-W208 VanDerWaalsContact OG1-CE2 3.28Å; T198-W208 WeakPolarHBondContact OG1-CH2 3.4Å; T198-W208 WeakPolarHBondContact OG1-CZ2 3.17Å; W208-R210 HydrophobicContact CE3-CB 4.35Å; W208-R210 HydrophobicContact CZ3-CB 4.32Å
209	K	94.2	Very high	90.2	Very high	125 Å²	125	51.2 Å²	51.2	54%	0.543	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	138.2	172.6	64.4	-175.3	179	-174.6	0	109.8	L195 L196 V197	L195-K209 HydrophobicContact CD1-CB 4.46Å; L196-K209 CarbonylContact O-C 3.4Å; L196-K209 VanDerWaalsContact O-CA 3.28Å; L196-K209 WeakPolarHBondContact O-CA 3.45Å; V197-K209 HydrophobicContact CG2-CB 4.06Å
210	R	94.9	Very high	90.1	Very high	87 Å²	87	51.7 Å²	51.7	33%	0.328	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	135.8	-179.1	-164.9	169.4	-164.7	124.8	7.1	110.4	G39 L196 W208 F212	G39-R210 PolarHBondContact O-NH1 2.88Å; L196-R210 PolarHBondContact N-O 2.89Å; L196-R210 PolarHBondContact O-N 2.86Å; W208-R210 HydrophobicContact CE3-CB 4.35Å; W208-R210 HydrophobicContact CZ3-CB 4.32Å; R210-F212 HydrophobicContact CB-CE2 3.97Å; R210-F212 HydrophobicContact CB-CZ 4.15Å; R210-F212 HydrophobicContact CG-CE2 4.21Å; R210-F212 HydrophobicContact CG-CZ 4.07Å
211	N	94.2	Very high	90.1	Very high	78 Å²	78	51.5 Å²	51.5	42%	0.417	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116.1	173.6	-172.9	-33.1	0	0	0	109.5	D193 L195 K213	D193-N211 PolarHBondContact O-ND2 3.49Å; D193-N211 PolarHBondContact O-OD1 2.81Å; L195-N211 HydrophobicContact CD1-CB 4.43Å; N211-K213 VanDerWaalsContact C-N 3.3Å; N211-K213 WeakPolarHBondContact OD1-CA 3.28Å; N211-K213 PolarHBondContact OD1-N 3.28Å
212	F	92.9	Very high	89.9	Confident	12 Å²	12	50 Å²	50	5%	0.053	24%	0.242	C	C	.	.			trans	-83.8	-3.1	-178.9	-68.5	-85.7	0	0	0	113.7	V24 T26 Y32 L34 G194 L196 R210 S214 V216	V24-F212 HydrophobicContact CB-CZ 4.38Å; V24-F212 HydrophobicContact CG1-CD2 4.42Å; V24-F212 HydrophobicContact CG1-CE1 4.32Å; V24-F212 HydrophobicContact CG1-CE2 4.13Å; V24-F212 HydrophobicContact CG1-CZ 4.09Å; V24-F212 HydrophobicContact CG2-CZ 4.43Å; T26-F212 HydrophobicContact CG2-CB 3.93Å; T26-F212 HydrophobicContact CG2-CG 4.31Å; Y32-F212 HydrophobicContact CD1-CD1 4Å; Y32-F212 AromaticContact CD1-CE1 3.93Å; Y32-F212 HydrophobicContact CD1-CE1 3.93Å; Y32-F212 AromaticContact CD2-CD1 3.56Å; Y32-F212 HydrophobicContact CD2-CD1 3.56Å; Y32-F212 AromaticContact CD2-CE1 3.86Å; Y32-F212 HydrophobicContact CD2-CE1 3.86Å; Y32-F212 HydrophobicContact CE1-CD1 4.04Å; Y32-F212 HydrophobicContact CE1-CE1 4.4Å; Y32-F212 AromaticContact CE2-CD1 3.61Å; Y32-F212 HydrophobicContact CE2-CD1 3.61Å; Y32-F212 HydrophobicContact CE2-CE1 4.34Å; Y32-F212 HydrophobicContact CE2-CG 4.48Å; Y32-F212 AromaticContact CG-CD1 3.77Å; Y32-F212 HydrophobicContact CG-CD1 3.77Å; Y32-F212 AromaticContact CG-CE1 3.64Å; Y32-F212 HydrophobicContact CG-CE1 3.64Å; Y32-F212 AromaticContact CZ-CD1 3.86Å; L34-F212 HydrophobicContact CD1-CE1 4.3Å; L34-F212 HydrophobicContact CD1-CZ 3.66Å; L34-F212 HydrophobicContact CD2-CE1 4.27Å; L34-F212 HydrophobicContact CD2-CZ 4.35Å; G194-F212 PolarHBondContact O-N 2.84Å; L196-F212 HydrophobicContact CB-CD2 4.14Å; L196-F212 HydrophobicContact CB-CE2 3.8Å; L196-F212 HydrophobicContact CD2-CE2 3.76Å; L196-F212 HydrophobicContact CD2-CZ 4.43Å; L196-F212 HydrophobicContact CG-CE2 4.44Å; R210-F212 HydrophobicContact CB-CE2 3.97Å; R210-F212 HydrophobicContact CB-CZ 4.15Å; R210-F212 HydrophobicContact CG-CE2 4.21Å; R210-F212 HydrophobicContact CG-CZ 4.07Å; F212-S214 PolarHBondContact O-N 3.09Å; F212-V216 HydrophobicContact CB-CG2 4.37Å; F212-V216 HydrophobicContact CD2-CG2 3.6Å; F212-V216 HydrophobicContact CE2-CG2 4.29Å; F212-V216 HydrophobicContact CG-CG2 4.16Å
213	K	88	Confident	89.4	Confident	194 Å²	194	47.9 Å²	47.9	84%	0.843	22%	0.218	S	C	*	.	S	Bend	trans	58.5	11.2	-175.1	-53.6	179.6	179.2	179	0	113.9	N211	N211-K213 VanDerWaalsContact C-N 3.3Å; N211-K213 WeakPolarHBondContact OD1-CA 3.28Å; N211-K213 PolarHBondContact OD1-N 3.28Å
214	S	90.3	Very high	88.7	Confident	10 Å²	10	49.5 Å²	49.5	7%	0.07	23%	0.232	C	C	.	.	S	Bend	trans	-150.5	141.5	-176.8	-167.7	0	0	0	0	107.5	D28 G194 F212 V216	D28-S214 WeakPolarHBondContact OD2-CB 3.39Å; D28-S214 PolarHBondContact OD2-OG 2.92Å; G194-S214 WeakPolarHBondContact CA-O 3.49Å; F212-S214 PolarHBondContact O-N 3.09Å; S214-V216 PolarHBondContact O-N 3.16Å
215	I	91.4	Very high	87.9	Confident	11 Å²	11	52.9 Å²	52.9	6%	0.056	25%	0.25	C	C	.	.			trans	-61.9	127.5	-174	-54.6	-54.9	0	0	0	109.7	T26 I27 C191 S192 I217 Y278 L280	T26-I215 CarbonylContact C-O 3.5Å; T26-I215 WeakPolarHBondContact CA-O 3.27Å; I27-I215 HydrophobicContact CB-CB 4.32Å; I27-I215 HydrophobicContact CG2-CB 3.92Å; I27-I215 HydrophobicContact CG2-CG1 4.3Å; I27-I215 PolarHBondContact N-O 3.24Å; C191-I215 WeakPolarHBondContact O-CD1 3.46Å; S192-I215 VanDerWaalsContact CA-CD1 3.49Å; S192-I215 WeakPolarHBondContact O-CD1 3.15Å; I215-I217 HydrophobicContact CG2-CG2 4.14Å; I215-Y278 WeakPolarHBondContact CG1-OH 3.31Å; I215-L280 HydrophobicContact CG2-CD1 4.04Å
216	V	93.7	Very high	87.3	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123.3	173	178.9	0	0	0	0	108.6	V24 T26 S189 L196 F212 S214 M219 L232	V24-V216 HydrophobicContact CG1-CB 4.37Å; V24-V216 HydrophobicContact CG1-CG1 3.58Å; V24-V216 HydrophobicContact CG1-CG2 3.89Å; T26-V216 HydrophobicContact CG2-CG2 4.32Å; S189-V216 PolarHBondContact OG-O 2.94Å; L196-V216 HydrophobicContact CB-CG2 4.28Å; L196-V216 HydrophobicContact CD1-CG1 4.39Å; F212-V216 HydrophobicContact CB-CG2 4.37Å; F212-V216 HydrophobicContact CD2-CG2 3.6Å; F212-V216 HydrophobicContact CE2-CG2 4.29Å; F212-V216 HydrophobicContact CG-CG2 4.16Å; S214-V216 PolarHBondContact O-N 3.16Å; V216-M219 HydrophobicContact CG1-CG 4.4Å; V216-L232 HydrophobicContact CG1-CD1 4.49Å; V216-L232 HydrophobicContact CG1-CD2 3.91Å
217	I	91.7	Very high	86.9	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	-11.2	-173.7	64.2	161.2	0	0	0	112.9	S25 I27 I50 P67 Q68 I215 R229	S25-I217 WeakPolarHBondContact O-CG1 3.23Å; S25-I217 PolarHBondContact O-N 2.9Å; I27-I217 HydrophobicContact CB-CG2 3.9Å; I27-I217 HydrophobicContact CG1-CG2 4.46Å; I50-I217 HydrophobicContact CB-CD1 3.79Å; I50-I217 HydrophobicContact CD1-CD1 3.26Å; I50-I217 HydrophobicContact CD1-CG1 4.1Å; I50-I217 HydrophobicContact CG1-CD1 4.05Å; I50-I217 HydrophobicContact CG2-CD1 3.53Å; P67-I217 HydrophobicContact CB-CB 4.17Å; P67-I217 HydrophobicContact CB-CD1 4.15Å; P67-I217 HydrophobicContact CB-CG2 3.68Å; P67-I217 HydrophobicContact CG-CG2 3.78Å; P67-I217 WeakPolarHBondContact O-CD1 3.31Å; Q68-I217 HydrophobicContact CG-CB 4.4Å; Q68-I217 WeakPolarHBondContact CG-O 3.37Å; I215-I217 HydrophobicContact CG2-CG2 4.14Å; I217-R229 PolarHBondContact O-NH2 2.88Å
218	G	91.2	Very high	86.6	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	147.9	178.3	0	0	0	0	0	112.1	S25	S25-G218 PolarHBondContact N-O 3.06Å; S25-G218 PolarHBondContact O-N 3.28Å
219	M	92.3	Very high	86.3	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.2	170.7	-66.8	-170.5	63	0	0	109	V22 F23 V24 H187 L196 V216 R229 L230 L232	V22-M219 HydrophobicContact CG1-CE 4.36Å; V22-M219 HydrophobicContact CG2-CE 3.5Å; F23-M219 CarbonylContact O-C 3.47Å; F23-M219 VanDerWaalsContact O-CA 3.24Å; F23-M219 WeakPolarHBondContact O-CA 3.46Å; V24-M219 HydrophobicContact CG2-CE 3.95Å; V24-M219 HydrophobicContact CG2-CG 4.25Å; H187-M219 HydrophobicContact CB-CE 4.18Å; H187-M219 HydrophobicContact CB-SD 3.36Å; H187-M219 WeakPolarHBondContact CB-SD 3.46Å; H187-M219 VanDerWaalsContact CD2-CE 3.49Å; H187-M219 WeakPolarHBondContact CD2-CE 3.42Å; H187-M219 VanDerWaalsContact CD2-SD 3.53Å; H187-M219 WeakPolarHBondContact CE1-CE 3.28Å; H187-M219 VanDerWaalsContact CG-CE 3.43Å; H187-M219 VanDerWaalsContact ND1-CE 3.33Å; H187-M219 WeakPolarHBondContact ND1-CE 3.47Å; H187-M219 WeakPolarHBondContact NE2-CE 3.35Å; L196-M219 HydrophobicContact CD1-SD 3.79Å; L196-M219 HydrophobicContact CD2-CE 4.05Å; L196-M219 HydrophobicContact CD2-SD 3.7Å; L196-M219 HydrophobicContact CG-SD 4.31Å; V216-M219 HydrophobicContact CG1-CG 4.4Å; M219-R229 CarbonylContact O-C 3.47Å; M219-R229 WeakPolarHBondContact O-CA 3.36Å; M219-L230 HydrophobicContact CB-CB 4.08Å; M219-L230 HydrophobicContact CB-CD1 4.48Å; M219-L230 PolarHBondContact O-N 2.75Å; M219-L232 HydrophobicContact CG-CD1 4.22Å; M219-L232 HydrophobicContact SD-CD1 3.88Å
220	Y	90.2	Very high	86	Confident	9 Å²	9	37.5 Å²	37.5	4%	0.035	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.1	-175.7	-42.8	-94.9	0	0	0	111.6	F23 L31 Y172 A173 L227 R228 R229	F23-Y220 HydrophobicContact CB-CD2 4.3Å; F23-Y220 PolarHBondContact N-O 2.89Å; F23-Y220 PolarHBondContact O-N 3.4Å; L31-Y220 HydrophobicContact CD1-CD2 4.5Å; Y172-Y220 HydrophobicContact CD2-CE2 4.38Å; A173-Y220 HydrophobicContact CB-CD1 3.56Å; A173-Y220 HydrophobicContact CB-CE1 3.69Å; Y220-L227 HydrophobicContact CG-CD1 4.24Å; Y220-R228 CarbonylContact C-O 3.58Å; Y220-R228 WeakPolarHBondContact CA-O 3.31Å; Y220-R228 WeakPolarHBondContact CB-O 3.42Å; Y220-R229 HydrophobicContact CD1-CB 3.91Å; Y220-R229 HydrophobicContact CD1-CG 4.15Å; Y220-R229 HydrophobicContact CE1-CB 3.99Å; Y220-R229 HydrophobicContact CE1-CG 3.93Å
221	Q	86.9	Confident	85.6	Confident	31 Å²	31	36.6 Å²	36.6	15%	0.145	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.3	168.5	-168.9	173.7	18.6	0	0	108.9	H223 R228 L230	Q221-H223 PolarHBondContact O-N 2.76Å; Q221-R228 PolarHBondContact N-O 2.89Å; Q221-R228 PolarHBondContact O-N 2.92Å; Q221-L230 HydrophobicContact CB-CD1 4.22Å; Q221-L230 HydrophobicContact CB-CD2 4.1Å; Q221-L230 HydrophobicContact CB-CG 4.22Å
222	L	80.7	Confident	85.5	Confident	15 Å²	15	33.1 Å²	33.1	8%	0.079	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	123.9	173.6	-175.6	66.8	0	0	0	109.7	Y18 F23 L144 L227	Y18-L222 HydrophobicContact CD2-CD2 4.13Å; Y18-L222 HydrophobicContact CG-CD2 4.3Å; F23-L222 HydrophobicContact CE2-CB 3.95Å; L144-L222 HydrophobicContact CD1-CD1 3.67Å; L144-L222 HydrophobicContact CD1-CD2 3.47Å; L144-L222 VanDerWaalsContact CD1-CD2 3.47Å; L144-L222 HydrophobicContact CD1-CG 4.23Å; L144-L222 HydrophobicContact CD2-CD2 4.31Å; L222-L227 HydrophobicContact CB-CD2 4.17Å; L222-L227 HydrophobicContact CD1-CD2 4.09Å
223	H	74.6	Confident	85.4	Confident	41 Å²	41	32.9 Å²	32.9	19%	0.19	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	173.1	170	-74.3	-94.9	0	0	0	110.4	Q221 D225 G226 R228	Q221-H223 PolarHBondContact O-N 2.76Å; H223-D225 PolarHBondContact O-N 3.14Å; H223-D225 VanDerWaalsContact O-N 3.12Å; H223-G226 PolarHBondContact N-O 2.9Å; H223-G226 PolarHBondContact O-N 2.91Å; H223-G226 VanDerWaalsContact O-N 3.08Å; H223-R228 HydrophobicContact CB-CG 4.15Å; H223-R228 VanDerWaalsContact CD2-CD 3.43Å; H223-R228 WeakPolarHBondContact CD2-CD 3.47Å
224	S	67.5	Low	85.5	Confident	107 Å²	107	24.1 Å²	24.1	75%	0.748	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-22	177.9	59.4	0	0	0	0	114.1
225	D	68	Low	85.5	Confident	71 Å²	71	23.7 Å²	23.7	38%	0.38	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	14.1	178.7	69.8	-34.7	0	0	0	114.1	K175 H223 R228	K175-D225 IonicContact NZ-OD2 2.68Å; K175-D225 PolarHBondContact NZ-OD2 3.1Å; H223-D225 PolarHBondContact O-N 3.14Å; H223-D225 VanDerWaalsContact O-N 3.12Å; D225-R228 VanDerWaalsContact CG-NH2 3.26Å; D225-R228 IonicContact OD1-CZ 3.56Å; D225-R228 VanDerWaalsContact OD1-CZ 3.31Å; D225-R228 IonicContact OD1-NE 3Å; D225-R228 PolarHBondContact OD1-NE 2.68Å; D225-R228 IonicContact OD1-NH2 3.28Å; D225-R228 PolarHBondContact OD1-NH2 2.77Å; D225-R228 IonicContact OD2-CZ 3.4Å; D225-R228 IonicContact OD2-NE 2.68Å; D225-R228 IonicContact OD2-NH2 3.95Å; D225-R228 PolarHBondContact OD2-NH2 3.28Å
226	G	73.9	Confident	85.3	Confident	24 Å²	24	23.4 Å²	23.4	25%	0.247	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114.3	-168.5	178.7	0	0	0	0	0	113.4	H223	H223-G226 PolarHBondContact N-O 2.9Å; H223-G226 PolarHBondContact O-N 2.91Å; H223-G226 VanDerWaalsContact O-N 3.08Å
227	L	83.5	Confident	84.9	Confident	13 Å²	13	23.4 Å²	23.4	7%	0.068	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	132.5	176	-72.9	-173.2	0	0	0	110.9	F23 I146 A173 Y220 L222	F23-L227 HydrophobicContact CD1-CD2 4.36Å; F23-L227 HydrophobicContact CD2-CD2 3.7Å; F23-L227 HydrophobicContact CE2-CD2 3.96Å; F23-L227 HydrophobicContact CG-CD2 3.95Å; F23-L227 HydrophobicContact CZ-CD2 4.38Å; I146-L227 HydrophobicContact CD1-CD1 3.94Å; I146-L227 HydrophobicContact CD1-CG 4.27Å; I146-L227 HydrophobicContact CG1-CD1 4.35Å; I146-L227 HydrophobicContact CG1-CG 4.37Å; I146-L227 HydrophobicContact CG2-CD1 3.42Å; I146-L227 VanDerWaalsContact CG2-CD1 3.42Å; I146-L227 HydrophobicContact CG2-CG 3.92Å; A173-L227 HydrophobicContact CB-CB 4.29Å; A173-L227 WeakPolarHBondContact CB-O 3Å; Y220-L227 HydrophobicContact CG-CD1 4.24Å; L222-L227 HydrophobicContact CB-CD2 4.17Å; L222-L227 HydrophobicContact CD1-CD2 4.09Å
228	R	83.7	Confident	84.6	Confident	55 Å²	55	26 Å²	26	21%	0.208	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.9	168.8	-60.6	-167.3	-179.2	-168.8	-1.8	109.9	K175 A177 Y220 Q221 H223 D225 L230	K175-R228 WeakPolarHBondContact O-CA 3.45Å; A177-R228 HydrophobicContact CB-CB 4.35Å; Y220-R228 CarbonylContact C-O 3.58Å; Y220-R228 WeakPolarHBondContact CA-O 3.31Å; Y220-R228 WeakPolarHBondContact CB-O 3.42Å; Q221-R228 PolarHBondContact N-O 2.89Å; Q221-R228 PolarHBondContact O-N 2.92Å; H223-R228 HydrophobicContact CB-CG 4.15Å; H223-R228 VanDerWaalsContact CD2-CD 3.43Å; H223-R228 WeakPolarHBondContact CD2-CD 3.47Å; D225-R228 VanDerWaalsContact CG-NH2 3.26Å; D225-R228 IonicContact OD1-CZ 3.56Å; D225-R228 VanDerWaalsContact OD1-CZ 3.31Å; D225-R228 IonicContact OD1-NE 3Å; D225-R228 PolarHBondContact OD1-NE 2.68Å; D225-R228 IonicContact OD1-NH2 3.28Å; D225-R228 PolarHBondContact OD1-NH2 2.77Å; D225-R228 IonicContact OD2-CZ 3.4Å; D225-R228 IonicContact OD2-NE 2.68Å; D225-R228 IonicContact OD2-NH2 3.95Å; D225-R228 PolarHBondContact OD2-NH2 3.28Å; R228-L230 PolarHBondContact O-N 3.43Å
229	R	88	Confident	84.4	Confident	17 Å²	17	26 Å²	26	6%	0.064	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.2	-179	-169	-178.8	-169.7	151.1	11.5	111.3	Q68 A173 K175 A177 I217 M219 Y220	Q68-R229 VanDerWaalsContact C-NH2 3.27Å; Q68-R229 PolarHBondContact O-NH1 3.06Å; Q68-R229 PolarHBondContact O-NH2 3.05Å; A173-R229 HydrophobicContact CB-CB 4.33Å; K175-R229 PolarHBondContact O-N 2.86Å; A177-R229 PolarHBondContact N-O 3.12Å; I217-R229 PolarHBondContact O-NH2 2.88Å; M219-R229 CarbonylContact O-C 3.47Å; M219-R229 WeakPolarHBondContact O-CA 3.36Å; Y220-R229 HydrophobicContact CD1-CB 3.91Å; Y220-R229 HydrophobicContact CD1-CG 4.15Å; Y220-R229 HydrophobicContact CE1-CB 3.99Å; Y220-R229 HydrophobicContact CE1-CG 3.93Å
230	L	88.5	Confident	84.3	Confident	9 Å²	9	26 Å²	26	5%	0.047	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	155.5	171	-63.1	173.3	0	0	0	110.5	V22 A177 Y183 M219 Q221 R228 L232	V22-L230 HydrophobicContact CG2-CD1 3.63Å; A177-L230 HydrophobicContact CB-CD2 3.88Å; Y183-L230 HydrophobicContact CD1-CD2 4Å; Y183-L230 HydrophobicContact CD2-CD2 4.35Å; Y183-L230 HydrophobicContact CE1-CD1 3.86Å; Y183-L230 HydrophobicContact CE1-CD2 4.18Å; Y183-L230 HydrophobicContact CE2-CD1 4.07Å; Y183-L230 HydrophobicContact CG-CD2 4.1Å; M219-L230 HydrophobicContact CB-CB 4.08Å; M219-L230 HydrophobicContact CB-CD1 4.48Å; M219-L230 PolarHBondContact O-N 2.75Å; Q221-L230 HydrophobicContact CB-CD1 4.22Å; Q221-L230 HydrophobicContact CB-CD2 4.1Å; Q221-L230 HydrophobicContact CB-CG 4.22Å; R228-L230 PolarHBondContact O-N 3.43Å; L230-L232 PolarHBondContact O-N 2.77Å
231	Q	87.2	Confident	84.3	Confident	67 Å²	67	29.7 Å²	29.7	31%	0.313	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-68.3	130.4	176.3	-176.1	61.7	51.3	0	0	110.2	H233 W628	Q231-H233 WeakPolarHBondContact CG-CE1 3.37Å; Q231-H233 WeakPolarHBondContact CG-NE2 3.03Å; Q231-W628 PolarHBondContact NE2-O 2.87Å
232	L	91	Very high	84.3	Confident	6 Å²	6	31 Å²	31	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.1	174.5	-176.6	65.1	0	0	0	108.8	H187 L196 V216 M219 L230 V234	H187-L232 HydrophobicContact CB-CD1 3.93Å; L196-L232 HydrophobicContact CD1-CD1 3.72Å; V216-L232 HydrophobicContact CG1-CD1 4.49Å; V216-L232 HydrophobicContact CG1-CD2 3.91Å; M219-L232 HydrophobicContact CG-CD1 4.22Å; M219-L232 HydrophobicContact SD-CD1 3.88Å; L230-L232 PolarHBondContact O-N 2.77Å; L232-V234 HydrophobicContact CD2-CG2 4.5Å
233	H	90.4	Very high	84.7	Confident	7 Å²	7	30.7 Å²	30.7	3%	0.032	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	112.2	175.1	-64.6	-53.8	0	0	0	109.6	H187 Y188 S189 Q231 R626	H187-H233 PolarHBondContact O-N 3.4Å; Y188-H233 CarbonylContact C-O 3.38Å; Y188-H233 VanDerWaalsContact CA-O 3.29Å; Y188-H233 WeakPolarHBondContact CA-O 3.35Å; Y188-H233 HydrophobicContact CD1-CB 3.56Å; Y188-H233 HydrophobicContact CE1-CB 3.78Å; Y188-H233 AromaticContact CE1-CD2 3.85Å; Y188-H233 AromaticContact CE1-CG 4Å; Y188-H233 HydrophobicContact CG-CB 4.26Å; Y188-H233 AromaticContact CZ-CD2 3.87Å; S189-H233 PolarHBondContact N-O 2.72Å; Q231-H233 WeakPolarHBondContact CG-CE1 3.37Å; Q231-H233 WeakPolarHBondContact CG-NE2 3.03Å; H233-R626 PolarHBondContact CE1-NH1 2.74Å; H233-R626 PolarHBondContact CE1-NH2 2.77Å; H233-R626 PolarHBondContact NE2-NH1 2.76Å; H233-R626 PolarHBondContact NE2-NH2 3.16Å
234	V	91.4	Very high	85.4	Confident	10 Å²	10	29.4 Å²	29.4	6%	0.061	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	124.9	175.8	-174	0	0	0	0	109.3	Q68 S189 C191 L232 L280 P282 L283	Q68-V234 VanDerWaalsContact OE1-CG2 3.29Å; S189-V234 CarbonylContact O-C 3.57Å; S189-V234 WeakPolarHBondContact O-CA 3.44Å; C191-V234 HydrophobicContact CB-CG1 3.68Å; L232-V234 HydrophobicContact CD2-CG2 4.5Å; V234-L280 HydrophobicContact CG1-CD1 4.4Å; V234-P282 HydrophobicContact CG1-CB 4.15Å; V234-P282 CarbonylContact O-C 3.51Å; V234-P282 WeakPolarHBondContact O-CA 3.41Å; V234-L283 PolarHBondContact O-N 3.31Å
235	L	90.2	Very high	86.3	Confident	1 Å²	1	26 Å²	26	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	158.2	178.6	-57.2	-172.2	0	0	0	110.5	Y188 S189 C191 T239 L240 L243 L264 L283	Y188-L235 HydrophobicContact CD1-CD1 3.91Å; Y188-L235 HydrophobicContact CD1-CG 4.27Å; S189-L235 PolarHBondContact O-N 2.81Å; C191-L235 PolarHBondContact N-O 3.49Å; L235-T239 HydrophobicContact CD1-CG2 4.5Å; L235-L240 HydrophobicContact CB-CB 4.13Å; L235-L240 HydrophobicContact CD1-CB 4.25Å; L235-L240 HydrophobicContact CD1-CD1 4.04Å; L235-L243 HydrophobicContact CD1-CD1 3.51Å; L235-L264 HydrophobicContact CD2-CD1 3.95Å; L235-L283 CarbonylContact C-O 3.52Å; L235-L283 VanDerWaalsContact CA-O 3.27Å; L235-L283 WeakPolarHBondContact CA-O 3.33Å; L235-L283 HydrophobicContact CD2-CB 3.65Å; L235-L283 HydrophobicContact CD2-CD1 4.34Å; L235-L283 HydrophobicContact CD2-CG 4.45Å
236	G	86.5	Confident	87	Confident	4 Å²	4	26.3 Å²	26.3	4%	0.041	14%	0.137	C	C	.	.			trans	-58.6	139.2	163.2	0	0	0	0	0	110	D238 T239 L240 L283	G236-D238 VanDerWaalsContact C-N 3.28Å; G236-D238 PolarHBondContact O-N 3.18Å; G236-T239 WeakPolarHBondContact O-CA 3.17Å; G236-T239 WeakPolarHBondContact O-CB 3.41Å; G236-T239 PolarHBondContact O-N 3.34Å; G236-L240 PolarHBondContact O-N 3.41Å; G236-L283 PolarHBondContact N-O 3.24Å
237	S	86.4	Confident	87.3	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.007	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-36.7	-171.6	-27.3	0	0	0	0	112.1	S190 S192 L240 Q241 Y349	S190-S237 VanDerWaalsContact OG-CB 3.23Å; S190-S237 WeakPolarHBondContact OG-CB 3.36Å; S190-S237 PolarHBondContact OG-OG 2.79Å; S192-S237 WeakPolarHBondContact CB-OG 3.39Å; S192-S237 PolarHBondContact OG-OG 2.87Å; S237-L240 PolarHBondContact O-N 3.49Å; S237-Q241 WeakPolarHBondContact O-CB 3.24Å; S237-Q241 VanDerWaalsContact O-CG 3.3Å; S237-Q241 WeakPolarHBondContact O-CG 3.41Å; S237-Q241 PolarHBondContact O-N 2.63Å; S237-Y349 VanDerWaalsContact CB-OH 3.24Å; S237-Y349 WeakPolarHBondContact CB-OH 3.3Å; S237-Y349 WeakPolarHBondContact OG-CE1 3.5Å
238	D	83.9	Confident	86.9	Confident	59 Å²	59	32.6 Å²	32.6	32%	0.316	16%	0.163	S	C	.	.	H	α-helix	trans	-68.2	-36	173	-59	-49.4	0	0	0	112.7	G236 R242 Y349	G236-D238 VanDerWaalsContact C-N 3.28Å; G236-D238 PolarHBondContact O-N 3.18Å; D238-R242 WeakPolarHBondContact O-CB 3.36Å; D238-R242 WeakPolarHBondContact O-CG 3.27Å; D238-R242 PolarHBondContact O-N 3.48Å; D238-R242 PolarHBondContact O-NE 3.47Å; D238-Y349 PolarHBondContact N-OH 3.33Å; D238-Y349 PolarHBondContact OD1-OH 3.21Å; D238-Y349 VanDerWaalsContact OD1-OH 3.08Å; D238-Y349 WeakPolarHBondContact OD2-CE2 3.39Å; D238-Y349 PolarHBondContact OD2-OH 2.87Å
239	T	87.7	Confident	86.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-50.9	174.3	-50.1	0	0	0	0	109.4	L235 G236 Q241 R242 L243 L264 V284 D285 T288	L235-T239 HydrophobicContact CD1-CG2 4.5Å; G236-T239 WeakPolarHBondContact O-CA 3.17Å; G236-T239 WeakPolarHBondContact O-CB 3.41Å; G236-T239 PolarHBondContact O-N 3.34Å; T239-Q241 PolarHBondContact O-N 3.1Å; T239-R242 PolarHBondContact O-N 3.43Å; T239-L243 WeakPolarHBondContact O-CG 3.38Å; T239-L243 PolarHBondContact O-N 2.89Å; T239-L264 HydrophobicContact CG2-CD2 3.69Å; T239-V284 WeakPolarHBondContact OG1-CA 3.4Å; T239-D285 HydrophobicContact CG2-CB 4.27Å; T239-D285 WeakPolarHBondContact CG2-OD2 3.31Å; T239-D285 PolarHBondContact OG1-N 3.01Å; T239-T288 PolarHBondContact OG1-OG1 2.97Å
240	L	90.5	Very high	84.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-45.1	179.9	-179.8	57.7	0	0	0	111.5	L195 V197 L235 G236 S237 R242 L243 I244 F257	L195-L240 HydrophobicContact CB-CD2 4.49Å; L195-L240 HydrophobicContact CD2-CD2 4.03Å; L195-L240 HydrophobicContact CD2-CG 4.36Å; L195-L240 HydrophobicContact CG-CD2 4.15Å; V197-L240 HydrophobicContact CB-CD1 4.38Å; V197-L240 HydrophobicContact CG2-CD1 3.98Å; V197-L240 HydrophobicContact CG2-CD2 4.28Å; V197-L240 HydrophobicContact CG2-CG 4.34Å; L235-L240 HydrophobicContact CB-CB 4.13Å; L235-L240 HydrophobicContact CD1-CB 4.25Å; L235-L240 HydrophobicContact CD1-CD1 4.04Å; G236-L240 PolarHBondContact O-N 3.41Å; S237-L240 PolarHBondContact O-N 3.49Å; L240-R242 PolarHBondContact O-N 3.29Å; L240-L243 PolarHBondContact O-N 3.12Å; L240-I244 HydrophobicContact CD1-CD1 4.42Å; L240-I244 HydrophobicContact CD1-CG1 4.44Å; L240-I244 HydrophobicContact CG-CD1 4.17Å; L240-I244 VanDerWaalsContact O-CG1 3.26Å; L240-I244 WeakPolarHBondContact O-CG1 3.21Å; L240-I244 PolarHBondContact O-N 3.08Å; L240-F257 HydrophobicContact CD1-CE1 3.77Å; L240-F257 HydrophobicContact CD1-CZ 4.19Å
241	Q	89.6	Confident	83.1	Confident	85 Å²	85	45.6 Å²	45.6	40%	0.397	24%	0.244	S	C	.	.	H	α-helix	trans	-60.1	-36.4	176.7	-75.6	-178.7	10	0	0	112.4	S237 T239 A245	S237-Q241 WeakPolarHBondContact O-CB 3.24Å; S237-Q241 VanDerWaalsContact O-CG 3.3Å; S237-Q241 WeakPolarHBondContact O-CG 3.41Å; S237-Q241 PolarHBondContact O-N 2.63Å; T239-Q241 PolarHBondContact O-N 3.1Å; Q241-A245 WeakPolarHBondContact O-CB 3.04Å; Q241-A245 PolarHBondContact O-N 2.9Å
242	R	87.2	Confident	81.3	Confident	58 Å²	58	45.4 Å²	45.4	22%	0.219	25%	0.254	C	S	.	.	H	α-helix	trans	-72.6	-39.6	176.1	-77.1	178.6	-71.2	138.9	-13.2	113.2	D238 T239 L240 I244 A245 D246 D285 K287 T288	D238-R242 WeakPolarHBondContact O-CB 3.36Å; D238-R242 WeakPolarHBondContact O-CG 3.27Å; D238-R242 PolarHBondContact O-N 3.48Å; D238-R242 PolarHBondContact O-NE 3.47Å; T239-R242 PolarHBondContact O-N 3.43Å; L240-R242 PolarHBondContact O-N 3.29Å; R242-I244 VanDerWaalsContact C-N 3.29Å; R242-I244 PolarHBondContact O-N 3.32Å; R242-A245 PolarHBondContact O-N 3.18Å; R242-A245 VanDerWaalsContact O-N 3.13Å; R242-D246 WeakPolarHBondContact O-CB 3.31Å; R242-D246 PolarHBondContact O-N 3.48Å; R242-D285 IonicContact CZ-OD1 3.11Å; R242-D285 IonicContact CZ-OD2 2.91Å; R242-D285 IonicContact NE-OD2 3.82Å; R242-D285 IonicContact NH1-OD1 2.73Å; R242-D285 PolarHBondContact NH1-OD1 3.26Å; R242-D285 IonicContact NH1-OD2 2.7Å; R242-D285 PolarHBondContact NH1-OD2 3.36Å; R242-D285 IonicContact NH2-OD1 2.69Å; R242-D285 PolarHBondContact NH2-OD1 3.27Å; R242-D285 IonicContact NH2-OD2 2.63Å; R242-D285 PolarHBondContact NH2-OD2 2.8Å; R242-K287 VanDerWaalsContact NH1-CB 3.33Å; R242-T288 PolarHBondContact NH2-OG1 2.88Å
243	L	88.5	Confident	79.5	Confident	10 Å²	10	52.5 Å²	52.5	5%	0.052	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-39.6	172.7	-64.8	179.5	0	0	0	111.9	L235 T239 L240 Q247 P256 F257 P260	L235-L243 HydrophobicContact CD1-CD1 3.51Å; T239-L243 WeakPolarHBondContact O-CG 3.38Å; T239-L243 PolarHBondContact O-N 2.89Å; L240-L243 PolarHBondContact O-N 3.12Å; L243-Q247 PolarHBondContact O-N 3.47Å; L243-P256 HydrophobicContact CD2-CB 4.07Å; L243-F257 HydrophobicContact CB-CD1 4.48Å; L243-F257 HydrophobicContact CB-CE1 4.05Å; L243-F257 HydrophobicContact CB-CE2 4.14Å; L243-F257 HydrophobicContact CB-CZ 3.87Å; L243-F257 HydrophobicContact CD1-CD1 4.3Å; L243-F257 HydrophobicContact CD1-CE1 4.34Å; L243-P260 HydrophobicContact CD2-CB 4.16Å
244	I	89.3	Confident	78.1	Confident	14 Å²	14	61.2 Å²	61.2	7%	0.072	33%	0.33	C	S	.	.	H	α-helix	trans	-62.2	-45.3	172.6	-63.1	165.5	0	0	0	110.7	L195 V197 I206 L240 R242 Q247 L248 F257	L195-I244 HydrophobicContact CD2-CD1 3.82Å; V197-I244 HydrophobicContact CG2-CD1 3.59Å; V197-I244 HydrophobicContact CG2-CG1 4.02Å; I206-I244 HydrophobicContact CD1-CB 4.32Å; I206-I244 HydrophobicContact CD1-CG1 4.15Å; I206-I244 HydrophobicContact CD1-CG2 4.03Å; L240-I244 HydrophobicContact CD1-CD1 4.42Å; L240-I244 HydrophobicContact CD1-CG1 4.44Å; L240-I244 HydrophobicContact CG-CD1 4.17Å; L240-I244 VanDerWaalsContact O-CG1 3.26Å; L240-I244 WeakPolarHBondContact O-CG1 3.21Å; L240-I244 PolarHBondContact O-N 3.08Å; R242-I244 VanDerWaalsContact C-N 3.29Å; R242-I244 PolarHBondContact O-N 3.32Å; I244-Q247 PolarHBondContact O-N 2.77Å; I244-L248 HydrophobicContact CG2-CD1 4.48Å; I244-L248 WeakPolarHBondContact O-CG 3.43Å; I244-L248 PolarHBondContact O-N 3.5Å; I244-F257 HydrophobicContact CG1-CZ 3.96Å
245	A	86.3	Confident	77.2	Confident	34 Å²	34	61.9 Å²	61.9	28%	0.281	33%	0.333	S	S	.	.	H	α-helix	trans	-64.4	-45.4	179.5	0	0	0	0	0	111.6	Q241 R242 Q247 L248 F249	Q241-A245 WeakPolarHBondContact O-CB 3.04Å; Q241-A245 PolarHBondContact O-N 2.9Å; R242-A245 PolarHBondContact O-N 3.18Å; R242-A245 VanDerWaalsContact O-N 3.13Å; A245-Q247 VanDerWaalsContact C-N 3.28Å; A245-Q247 PolarHBondContact O-N 3.22Å; A245-L248 WeakPolarHBondContact O-CB 3.46Å; A245-L248 PolarHBondContact O-N 2.82Å; A245-F249 WeakPolarHBondContact O-CD2 3.48Å; A245-F249 PolarHBondContact O-N 2.97Å
246	D	83.3	Confident	76.4	Confident	78 Å²	78	62.2 Å²	62.2	42%	0.417	34%	0.335	S	S	.	.	H	α-helix	trans	-59.2	-39.3	179.7	-75.2	-7.9	0	0	0	111	R242 L248 F249 S250 P256	R242-D246 WeakPolarHBondContact O-CB 3.31Å; R242-D246 PolarHBondContact O-N 3.48Å; D246-L248 VanDerWaalsContact C-N 3.31Å; D246-L248 PolarHBondContact O-N 3.42Å; D246-F249 PolarHBondContact O-N 2.87Å; D246-S250 WeakPolarHBondContact O-CA 3.39Å; D246-S250 WeakPolarHBondContact O-CB 3.44Å; D246-S250 PolarHBondContact O-N 2.72Å; D246-P256 HydrophobicContact CB-CB 4.12Å; D246-P256 HydrophobicContact CB-CG 4.15Å
247	Q	80.8	Confident	76.1	Confident	41 Å²	41	62.4 Å²	62.4	19%	0.192	34%	0.335	C	S	.	.	H	α-helix	trans	-66.2	-32.3	176.2	-167.3	-179.1	81.3	0	0	112.8	G204 I206 L243 I244 A245 F249 D255 P256	G204-Q247 PolarHBondContact O-NE2 3.46Å; I206-Q247 VanDerWaalsContact CD1-OE1 3.25Å; L243-Q247 PolarHBondContact O-N 3.47Å; I244-Q247 PolarHBondContact O-N 2.77Å; A245-Q247 VanDerWaalsContact C-N 3.28Å; A245-Q247 PolarHBondContact O-N 3.22Å; Q247-F249 VanDerWaalsContact C-N 3.31Å; Q247-F249 PolarHBondContact O-N 2.88Å; Q247-D255 PolarHBondContact NE2-OD2 2.96Å; Q247-P256 HydrophobicContact CB-CG 3.86Å
248	L	74	Confident	75.6	Confident	128 Å²	128	65.4 Å²	65.4	67%	0.67	35%	0.351	S	S	*	.	H	α-helix	trans	-70.7	-26.6	177.2	-68.3	168.4	0	0	0	112.8	I244 A245 D246	I244-L248 HydrophobicContact CG2-CD1 4.48Å; I244-L248 WeakPolarHBondContact O-CG 3.43Å; I244-L248 PolarHBondContact O-N 3.5Å; A245-L248 WeakPolarHBondContact O-CB 3.46Å; A245-L248 PolarHBondContact O-N 2.82Å; D246-L248 VanDerWaalsContact C-N 3.31Å; D246-L248 PolarHBondContact O-N 3.42Å
249	F	67.5	Low	75	Confident	176 Å²	176	65.5 Å²	65.5	77%	0.772	36%	0.356	S	S	*	.	H	α-helix	trans	-104.9	-12.7	-179.2	-63.1	-68.4	0	0	0	114	A245 D246 Q247 S251	A245-F249 WeakPolarHBondContact O-CD2 3.48Å; A245-F249 PolarHBondContact O-N 2.97Å; D246-F249 PolarHBondContact O-N 2.87Å; Q247-F249 VanDerWaalsContact C-N 3.31Å; Q247-F249 PolarHBondContact O-N 2.88Å; F249-S251 PolarHBondContact O-N 3.43Å
250	S	59.2	Low	74.1	Confident	50 Å²	50	67.6 Å²	67.6	35%	0.35	37%	0.369	S	S	.	.			trans	-75.7	112.4	-175.9	-179.3	0	0	0	0	111.3	D246 A252	D246-S250 WeakPolarHBondContact O-CA 3.39Å; D246-S250 WeakPolarHBondContact O-CB 3.44Å; D246-S250 PolarHBondContact O-N 2.72Å; S250-A252 WeakPolarHBondContact OG-CA 3.37Å; S250-A252 WeakPolarHBondContact OG-CB 3.41Å; S250-A252 PolarHBondContact OG-N 2.68Å
251	S	54.3	Low	73	Confident	128 Å²	128	74.1 Å²	74.1	90%	0.895	41%	0.409	S	S	*	.			trans	-81.3	6.9	154.1	68.7	0	0	0	0	111.9	F249	F249-S251 PolarHBondContact O-N 3.43Å
252	A	48.8	Very low	72.2	Confident	64 Å²	64	73.3 Å²	73.3	53%	0.529	41%	0.405	S	S	.	.			trans	-76	147.2	-166.3	0	0	0	0	0	111.9	S250 R254	S250-A252 WeakPolarHBondContact OG-CA 3.37Å; S250-A252 WeakPolarHBondContact OG-CB 3.41Å; S250-A252 PolarHBondContact OG-N 2.68Å; A252-R254 PolarHBondContact O-N 2.73Å
253	V	53.7	Low	71.6	Confident	154 Å²	154	74.7 Å²	74.7	93%	0.933	42%	0.422	S	S	*	.	S	Bend	trans	-62.3	-10.6	176.1	-177.6	0	0	0	0	112.4
254	R	60.2	Low	71.3	Confident	190 Å²	190	76.3 Å²	76.3	72%	0.717	43%	0.43	S	S	*	.	S	Bend	trans	-124.9	135.3	-177.5	-67.6	-175.3	179.4	-174.2	-0.8	111.2	A252	A252-R254 PolarHBondContact O-N 2.73Å
255	D	73.8	Confident	70.7	Confident	24 Å²	24	79.6 Å²	79.6	13%	0.128	44%	0.442	C	S	.	.			trans	-83.6	132.4	179.2	-174.8	-87.7	0	0	0	111.9	G204 Q247 F257 L258 S259	G204-D255 VanDerWaalsContact CA-CG 3.41Å; G204-D255 WeakPolarHBondContact CA-OD1 3.18Å; Q247-D255 PolarHBondContact NE2-OD2 2.96Å; D255-F257 VanDerWaalsContact C-N 3.32Å; D255-F257 PolarHBondContact O-N 2.75Å; D255-F257 WeakPolarHBondContact OD1-CB 3.44Å; D255-F257 PolarHBondContact OD1-N 3.49Å; D255-L258 HydrophobicContact CB-CB 4.46Å; D255-L258 PolarHBondContact O-N 2.79Å; D255-L258 PolarHBondContact OD1-N 2.74Å; D255-S259 CarbonylContact O-C 3.58Å; D255-S259 PolarHBondContact O-N 3.48Å
256	P	73.6	Confident	70.3	Confident	8 Å²	8	81 Å²	81	5%	0.052	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.8	-175.2	26.5	-35	0	0	0	114.7	L243 D246 Q247 P260	L243-P256 HydrophobicContact CD2-CB 4.07Å; D246-P256 HydrophobicContact CB-CB 4.12Å; D246-P256 HydrophobicContact CB-CG 4.15Å; Q247-P256 HydrophobicContact CB-CG 3.86Å; P256-P260 VanDerWaalsContact O-CA 3.24Å; P256-P260 WeakPolarHBondContact O-CA 3.04Å; P256-P260 WeakPolarHBondContact O-CB 3.28Å; P256-P260 WeakPolarHBondContact O-CD 3.45Å
257	F	80.3	Confident	69.8	Low	9 Å²	9	78 Å²	78	4%	0.039	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-44.1	175.5	-74.1	-89.3	0	0	0	111.4	Y188 V197 V199 I206 L240 L243 I244 D255	Y188-F257 AromaticContact CD1-CD1 3.93Å; Y188-F257 HydrophobicContact CD1-CD1 3.93Å; Y188-F257 HydrophobicContact CD1-CE1 4.36Å; Y188-F257 AromaticContact CD2-CD1 3.6Å; Y188-F257 HydrophobicContact CD2-CD1 3.6Å; Y188-F257 HydrophobicContact CD2-CE1 4.06Å; Y188-F257 HydrophobicContact CE1-CD1 4.05Å; Y188-F257 HydrophobicContact CE2-CB 4.21Å; Y188-F257 AromaticContact CE2-CD1 3.78Å; Y188-F257 HydrophobicContact CE2-CD1 3.78Å; Y188-F257 HydrophobicContact CE2-CG 4.38Å; Y188-F257 AromaticContact CG-CD1 3.7Å; Y188-F257 HydrophobicContact CG-CD1 3.7Å; Y188-F257 AromaticContact CG-CE1 3.91Å; Y188-F257 HydrophobicContact CG-CE1 3.91Å; Y188-F257 PolarHBondContact OH-O 3.43Å; V197-F257 HydrophobicContact CG1-CE1 4.38Å; V197-F257 HydrophobicContact CG1-CZ 4.06Å; V199-F257 HydrophobicContact CG1-CB 4.44Å; V199-F257 HydrophobicContact CG1-CD1 4.2Å; V199-F257 HydrophobicContact CG1-CD2 3.96Å; V199-F257 HydrophobicContact CG1-CE1 4.46Å; V199-F257 HydrophobicContact CG1-CE2 4.26Å; V199-F257 HydrophobicContact CG1-CG 3.94Å; V199-F257 HydrophobicContact CG1-CZ 4.49Å; V199-F257 HydrophobicContact CG2-CB 4.48Å; I206-F257 HydrophobicContact CD1-CE2 3.88Å; I206-F257 HydrophobicContact CD1-CZ 4.26Å; I206-F257 HydrophobicContact CG1-CE2 3.92Å; I206-F257 HydrophobicContact CG1-CZ 4.37Å; L240-F257 HydrophobicContact CD1-CE1 3.77Å; L240-F257 HydrophobicContact CD1-CZ 4.19Å; L243-F257 HydrophobicContact CB-CD1 4.48Å; L243-F257 HydrophobicContact CB-CE1 4.05Å; L243-F257 HydrophobicContact CB-CE2 4.14Å; L243-F257 HydrophobicContact CB-CZ 3.87Å; L243-F257 HydrophobicContact CD1-CD1 4.3Å; L243-F257 HydrophobicContact CD1-CE1 4.34Å; I244-F257 HydrophobicContact CG1-CZ 3.96Å; D255-F257 VanDerWaalsContact C-N 3.32Å; D255-F257 PolarHBondContact O-N 2.75Å; D255-F257 WeakPolarHBondContact OD1-CB 3.44Å; D255-F257 PolarHBondContact OD1-N 3.49Å
258	L	75.5	Confident	69.8	Low	64 Å²	64	78.6 Å²	78.6	34%	0.335	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-29.3	180	-62.7	-179.8	0	0	0	113	D255	D255-L258 HydrophobicContact CB-CB 4.46Å; D255-L258 PolarHBondContact O-N 2.79Å; D255-L258 PolarHBondContact OD1-N 2.74Å
259	S	71.9	Confident	70.1	Confident	61 Å²	61	74.3 Å²	74.3	43%	0.427	41%	0.413	S	S	.	.	S	Bend	trans	-149.6	74.4	-177.8	-72.7	0	0	0	0	110.5	D255 V261	D255-S259 CarbonylContact O-C 3.58Å; D255-S259 PolarHBondContact O-N 3.48Å; S259-V261 PolarHBondContact O-N 2.58Å
260	P	69.1	Low	70.8	Confident	43 Å²	43	68.6 Å²	68.6	28%	0.279	39%	0.393	S	S	.	.			trans	-58.4	139.8	178.2	22.9	-31.7	0	0	0	110.4	L243 P256 E262 L264	L243-P260 HydrophobicContact CD2-CB 4.16Å; P256-P260 VanDerWaalsContact O-CA 3.24Å; P256-P260 WeakPolarHBondContact O-CA 3.04Å; P256-P260 WeakPolarHBondContact O-CB 3.28Å; P256-P260 WeakPolarHBondContact O-CD 3.45Å; P260-E262 PolarHBondContact O-N 3.14Å; P260-L264 HydrophobicContact CG-CD1 4.42Å; P260-L264 HydrophobicContact CG-CG 4.17Å
261	V	66.9	Low	71.7	Confident	137 Å²	137	66.5 Å²	66.5	83%	0.83	38%	0.379	S	S	*	.	S	Bend	trans	-58.3	-34.1	-177.5	-179.5	0	0	0	0	111.4	S259	S259-V261 PolarHBondContact O-N 2.58Å
262	E	71.6	Confident	72.9	Confident	68 Å²	68	67 Å²	67	32%	0.318	37%	0.365	S	S	.	.	S	Bend	trans	-112.7	140.7	174.3	-67.1	-176.8	-162.6	0	0	111	P260 L264	P260-E262 PolarHBondContact O-N 3.14Å; E262-L264 PolarHBondContact O-N 2.79Å
263	P	75.7	Confident	74.2	Confident	87 Å²	87	65.9 Å²	65.9	57%	0.565	35%	0.349	S	S	*	.			trans	-65.4	124.3	176.1	26.3	-32.9	0	0	0	110.5
264	L	82	Confident	75.1	Confident	44 Å²	44	62.2 Å²	62.2	23%	0.23	33%	0.33	C	S	.	.			trans	-71.7	146	173.3	-52.6	179	0	0	0	110.4	L235 T239 P260 E262 L283 V284 D285	L235-L264 HydrophobicContact CD2-CD1 3.95Å; T239-L264 HydrophobicContact CG2-CD2 3.69Å; P260-L264 HydrophobicContact CG-CD1 4.42Å; P260-L264 HydrophobicContact CG-CG 4.17Å; E262-L264 PolarHBondContact O-N 2.79Å; L264-L283 HydrophobicContact CB-CB 3.9Å; L264-L283 HydrophobicContact CD1-CB 4.15Å; L264-L283 HydrophobicContact CD1-CD1 4.47Å; L264-V284 CarbonylContact C-O 3.57Å; L264-V284 WeakPolarHBondContact CA-O 3.22Å; L264-D285 HydrophobicContact CD2-CB 3.75Å
265	R	75.7	Confident	75.4	Confident	84 Å²	84	56.7 Å²	56.7	32%	0.317	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143	-176.3	-61.8	174.5	176.9	-179.3	-7.7	110	L283 V284 R286	R265-L283 CarbonylContact O-C 3.59Å; R265-L283 WeakPolarHBondContact O-CA 3.46Å; R265-V284 PolarHBondContact N-O 3.1Å; R265-V284 PolarHBondContact O-N 3.31Å; R265-R286 VanDerWaalsContact NH2-NE 3.19Å; R265-R286 VanDerWaalsContact NH2-NH2 3.18Å
266	P	78.4	Confident	75.3	Confident	62 Å²	62	55.7 Å²	55.7	40%	0.403	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	137.3	173.3	27.9	-33.1	0	0	0	110.7	L283	P266-L283 HydrophobicContact CB-CD2 4.41Å
267	A	73.1	Confident	75.7	Confident	15 Å²	15	56.8 Å²	56.8	12%	0.124	32%	0.32	C	S	.	.			trans	-131.2	161.6	170.5	0	0	0	0	0	109.7	N281 P282 V284	A267-N281 CarbonylContact O-C 3.53Å; A267-N281 VanDerWaalsContact O-CA 3.27Å; A267-N281 WeakPolarHBondContact O-CA 3.21Å; A267-N281 PolarHBondContact O-OD1 2.92Å; A267-P282 PolarHBondContact N-O 2.89Å; A267-P282 WeakPolarHBondContact O-CD 3.29Å; A267-V284 HydrophobicContact CB-CG1 4.03Å; A267-V284 HydrophobicContact CB-CG2 3.72Å
268	M	80.2	Confident	75.9	Confident	54 Å²	54	56.8 Å²	56.8	27%	0.266	32%	0.32	S	S	.	.			trans	-99.4	123.1	173.8	-168	96.8	58.4	0	0	109.2	Y73 L80 V270 A279 L301	Y73-M268 HydrophobicContact CD1-CE 4.1Å; Y73-M268 HydrophobicContact CD1-SD 3.99Å; Y73-M268 HydrophobicContact CE1-CE 4.02Å; Y73-M268 HydrophobicContact CE1-SD 3.8Å; L80-M268 HydrophobicContact CD2-CE 3.46Å; L80-M268 VanDerWaalsContact CD2-CE 3.46Å; L80-M268 HydrophobicContact CD2-CG 3.82Å; L80-M268 HydrophobicContact CD2-SD 3.9Å; L80-M268 HydrophobicContact CG-CE 4.1Å; M268-V270 HydrophobicContact CG-CG2 4.43Å; M268-A279 HydrophobicContact SD-CB 4.34Å; M268-L301 HydrophobicContact CE-CG 4.38Å
269	F	81.8	Confident	76.4	Confident	38 Å²	38	53.8 Å²	53.8	17%	0.167	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119	171.8	175.5	-95.4	0	0	0	109.2	C191 Y278 A279 L280 P282	C191-F269 HydrophobicContact CB-CB 4.41Å; C191-F269 HydrophobicContact CB-CD1 4.17Å; C191-F269 HydrophobicContact CB-CG 4.14Å; C191-F269 WeakPolarHBondContact O-CE1 3.1Å; F269-Y278 HydrophobicContact CD1-CE2 4.21Å; F269-Y278 AromaticContact CE1-CE2 3.97Å; F269-Y278 HydrophobicContact CE1-CE2 3.97Å; F269-A279 CarbonylContact O-C 3.49Å; F269-A279 VanDerWaalsContact O-CA 3.31Å; F269-A279 WeakPolarHBondContact O-CA 3.48Å; F269-L280 HydrophobicContact CB-CB 4.42Å; F269-L280 HydrophobicContact CD1-CB 4.44Å; F269-L280 HydrophobicContact CD1-CD1 4.37Å; F269-L280 PolarHBondContact N-O 2.89Å; F269-L280 PolarHBondContact O-N 2.8Å; F269-P282 HydrophobicContact CB-CG 3.77Å
270	V	81.3	Confident	77.1	Confident	57 Å²	57	50.9 Å²	50.9	35%	0.345	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	112.7	173.2	-178	0	0	0	0	108.3	L64 M268 Y278	L64-V270 HydrophobicContact CD1-CG1 4.15Å; L64-V270 HydrophobicContact CD1-CG2 3.96Å; L64-V270 HydrophobicContact CD2-CG1 4.24Å; M268-V270 HydrophobicContact CG-CG2 4.43Å; V270-Y278 CarbonylContact C-O 3.56Å; V270-Y278 WeakPolarHBondContact CA-O 3.35Å
271	G	78	Confident	77.8	Confident	6 Å²	6	49.5 Å²	49.5	6%	0.062	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	167.4	179	0	0	0	0	0	112.2	L277 Y278	G271-L277 WeakPolarHBondContact O-CA 3.34Å; G271-L277 WeakPolarHBondContact O-CD2 3.37Å; G271-Y278 VanDerWaalsContact C-CE1 3.41Å; G271-Y278 PolarHBondContact N-O 2.83Å; G271-Y278 WeakPolarHBondContact O-CD1 3.48Å; G271-Y278 PolarHBondContact O-N 2.77Å
272	K	80	Confident	78.7	Confident	137 Å²	137	43.1 Å²	43.1	60%	0.596	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.1	171.3	-173	178.4	176.2	-178.1	0	109.2	S274 S276 L277	K272-S274 WeakPolarHBondContact CE-O 3.37Å; K272-S276 CarbonylContact C-O 3.48Å; K272-S276 WeakPolarHBondContact CA-O 3.28Å; K272-L277 HydrophobicContact CB-CD2 3.76Å; K272-L277 HydrophobicContact CD-CD2 4.45Å; K272-L277 HydrophobicContact CG-CD2 4.02Å
273	H	76.2	Confident	79.4	Confident	42 Å²	42	41.8 Å²	41.8	19%	0.194	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.1	169.8	178	-98.6	0	0	0	108.7	I27 S275 S276 Y278	I27-H273 HydrophobicContact CD1-CB 3.83Å; I27-H273 HydrophobicContact CG1-CB 4.25Å; I27-H273 HydrophobicContact CG2-CB 4.31Å; H273-S275 PolarHBondContact O-N 2.68Å; H273-S276 PolarHBondContact N-O 2.88Å; H273-S276 WeakPolarHBondContact O-CA 3.41Å; H273-S276 WeakPolarHBondContact O-CB 3.01Å; H273-S276 PolarHBondContact O-N 3Å; H273-S276 VanDerWaalsContact O-O 3.12Å; H273-Y278 HydrophobicContact CB-CD1 4.17Å; H273-Y278 HydrophobicContact CB-CE1 3.85Å
274	S	73.1	Confident	79.8	Confident	77 Å²	77	38.1 Å²	38.1	54%	0.538	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	-122.7	-170.3	71.5	0	0	0	0	112.3	K272	K272-S274 WeakPolarHBondContact CE-O 3.37Å
275	S	65.6	Low	79.6	Confident	74 Å²	74	36.7 Å²	36.7	52%	0.517	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	0.7	171.9	59.2	0	0	0	0	113.4	H273	H273-S275 PolarHBondContact O-N 2.68Å
276	S	71.3	Confident	79.5	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.3	-168.9	-59.2	0	0	0	0	112.3	T53 K272 H273	T53-S276 VanDerWaalsContact CG2-CA 3.46Å; T53-S276 VanDerWaalsContact CG2-OG 3.29Å; T53-S276 WeakPolarHBondContact CG2-OG 3.26Å; T53-S276 PolarHBondContact N-OG 3.32Å; K272-S276 CarbonylContact C-O 3.48Å; K272-S276 WeakPolarHBondContact CA-O 3.28Å; H273-S276 PolarHBondContact N-O 2.88Å; H273-S276 WeakPolarHBondContact O-CA 3.41Å; H273-S276 WeakPolarHBondContact O-CB 3.01Å; H273-S276 PolarHBondContact O-N 3Å; H273-S276 VanDerWaalsContact O-O 3.12Å
277	L	82	Confident	79.1	Confident	31 Å²	31	44.4 Å²	44.4	16%	0.162	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	152.2	164.8	-67.5	-177.2	0	0	0	110.2	M55 V62 L64 P65 G271 K272	M55-L277 HydrophobicContact CE-CB 4.03Å; M55-L277 HydrophobicContact CE-CD1 3.12Å; M55-L277 HydrophobicContact CE-CG 3.29Å; V62-L277 HydrophobicContact CG1-CD1 4.33Å; L64-L277 HydrophobicContact CD2-CB 3.51Å; L64-L277 HydrophobicContact CD2-CD1 3.8Å; L64-L277 HydrophobicContact CD2-CG 4.33Å; P65-L277 WeakPolarHBondContact CD-O 3.32Å; G271-L277 WeakPolarHBondContact O-CA 3.34Å; G271-L277 WeakPolarHBondContact O-CD2 3.37Å; K272-L277 HydrophobicContact CB-CD2 3.76Å; K272-L277 HydrophobicContact CD-CD2 4.45Å; K272-L277 HydrophobicContact CG-CD2 4.02Å
278	Y	85	Confident	78.9	Confident	10 Å²	10	44.4 Å²	44.4	4%	0.039	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	158.2	174.7	64.2	-92.6	0	0	0	109.8	I27 P65 P67 I215 F269 V270 G271 H273 L280	I27-Y278 HydrophobicContact CD1-CD1 3.52Å; I27-Y278 HydrophobicContact CD1-CD2 4.33Å; I27-Y278 HydrophobicContact CD1-CE1 3.62Å; I27-Y278 HydrophobicContact CD1-CE2 4.43Å; I27-Y278 HydrophobicContact CD1-CG 3.9Å; P65-Y278 VanDerWaalsContact O-CA 3.25Å; P65-Y278 WeakPolarHBondContact O-CA 3.37Å; P65-Y278 WeakPolarHBondContact O-CB 3.4Å; P67-Y278 HydrophobicContact CG-CD2 4.17Å; I215-Y278 WeakPolarHBondContact CG1-OH 3.31Å; F269-Y278 HydrophobicContact CD1-CE2 4.21Å; F269-Y278 AromaticContact CE1-CE2 3.97Å; F269-Y278 HydrophobicContact CE1-CE2 3.97Å; V270-Y278 CarbonylContact C-O 3.56Å; V270-Y278 WeakPolarHBondContact CA-O 3.35Å; G271-Y278 VanDerWaalsContact C-CE1 3.41Å; G271-Y278 PolarHBondContact N-O 2.83Å; G271-Y278 WeakPolarHBondContact O-CD1 3.48Å; G271-Y278 PolarHBondContact O-N 2.77Å; H273-Y278 HydrophobicContact CB-CD1 4.17Å; H273-Y278 HydrophobicContact CB-CE1 3.85Å; Y278-L280 HydrophobicContact CD2-CD1 4.22Å; Y278-L280 HydrophobicContact CD2-CG 4.03Å; Y278-L280 HydrophobicContact CE2-CD1 3.74Å; Y278-L280 HydrophobicContact CE2-CG 4.05Å
279	A	85.5	Confident	77.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.2	174.6	0	0	0	0	0	110	L64 P65 D66 Y73 M268 F269	L64-A279 HydrophobicContact CB-CB 3.83Å; L64-A279 HydrophobicContact CD1-CB 4.41Å; P65-A279 PolarHBondContact O-N 2.76Å; D66-A279 VanDerWaalsContact CA-O 3.23Å; D66-A279 WeakPolarHBondContact CA-O 3.41Å; D66-A279 WeakPolarHBondContact CB-O 3.49Å; Y73-A279 HydrophobicContact CD2-CB 3.72Å; Y73-A279 HydrophobicContact CE2-CB 4.02Å; Y73-A279 HydrophobicContact CG-CB 4.36Å; M268-A279 HydrophobicContact SD-CB 4.34Å; F269-A279 CarbonylContact O-C 3.49Å; F269-A279 VanDerWaalsContact O-CA 3.31Å; F269-A279 WeakPolarHBondContact O-CA 3.48Å
280	L	85.9	Confident	76.4	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	156.3	171	-71.4	170.2	0	0	0	108.8	P67 Q68 C191 I215 V234 F269 Y278 P282	P67-L280 HydrophobicContact CG-CD2 3.77Å; P67-L280 HydrophobicContact CG-CG 4.34Å; Q68-L280 HydrophobicContact CG-CD2 3.87Å; Q68-L280 VanDerWaalsContact NE2-CD2 3.35Å; C191-L280 HydrophobicContact CB-CD1 4.36Å; I215-L280 HydrophobicContact CG2-CD1 4.04Å; V234-L280 HydrophobicContact CG1-CD1 4.4Å; F269-L280 HydrophobicContact CB-CB 4.42Å; F269-L280 HydrophobicContact CD1-CB 4.44Å; F269-L280 HydrophobicContact CD1-CD1 4.37Å; F269-L280 PolarHBondContact N-O 2.89Å; F269-L280 PolarHBondContact O-N 2.8Å; Y278-L280 HydrophobicContact CD2-CD1 4.22Å; Y278-L280 HydrophobicContact CD2-CG 4.03Å; Y278-L280 HydrophobicContact CE2-CD1 3.74Å; Y278-L280 HydrophobicContact CE2-CG 4.05Å; L280-P282 WeakPolarHBondContact O-CD 3.41Å
281	N	84.4	Confident	74.9	Confident	13 Å²	13	53.9 Å²	53.9	7%	0.07	27%	0.273	C	S	.	.			trans	-113.7	66.6	177.2	-151.5	-27	0	0	0	110.5	A267	A267-N281 CarbonylContact O-C 3.53Å; A267-N281 VanDerWaalsContact O-CA 3.27Å; A267-N281 WeakPolarHBondContact O-CA 3.21Å; A267-N281 PolarHBondContact O-OD1 2.92Å
282	P	86.4	Confident	73	Confident	3 Å²	3	56 Å²	56	2%	0.019	29%	0.287	C	S	.	.			trans	-66.3	155.2	-177.9	27.6	-36.5	0	0	0	112.5	C191 V234 A267 F269 L280	C191-P282 HydrophobicContact CB-CB 3.99Å; C191-P282 HydrophobicContact CB-CG 4.13Å; V234-P282 HydrophobicContact CG1-CB 4.15Å; V234-P282 CarbonylContact O-C 3.51Å; V234-P282 WeakPolarHBondContact O-CA 3.41Å; A267-P282 PolarHBondContact N-O 2.89Å; A267-P282 WeakPolarHBondContact O-CD 3.29Å; F269-P282 HydrophobicContact CB-CG 3.77Å; L280-P282 WeakPolarHBondContact O-CD 3.41Å
283	L	86.9	Confident	70.8	Confident	41 Å²	41	53 Å²	53	22%	0.215	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	134.3	164.1	-58.7	173.4	0	0	0	110.1	V234 L235 G236 L264 R265 P266	V234-L283 PolarHBondContact O-N 3.31Å; L235-L283 CarbonylContact C-O 3.52Å; L235-L283 VanDerWaalsContact CA-O 3.27Å; L235-L283 WeakPolarHBondContact CA-O 3.33Å; L235-L283 HydrophobicContact CD2-CB 3.65Å; L235-L283 HydrophobicContact CD2-CD1 4.34Å; L235-L283 HydrophobicContact CD2-CG 4.45Å; G236-L283 PolarHBondContact N-O 3.24Å; L264-L283 HydrophobicContact CB-CB 3.9Å; L264-L283 HydrophobicContact CD1-CB 4.15Å; L264-L283 HydrophobicContact CD1-CD1 4.47Å; R265-L283 CarbonylContact O-C 3.59Å; R265-L283 WeakPolarHBondContact O-CA 3.46Å; P266-L283 HydrophobicContact CB-CD2 4.41Å
284	V	82.2	Confident	68.6	Low	9 Å²	9	61.3 Å²	61.3	6%	0.055	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144	179.6	-58.3	0	0	0	0	110.6	T239 L264 R265 A267 T288 V290	T239-V284 WeakPolarHBondContact OG1-CA 3.4Å; L264-V284 CarbonylContact C-O 3.57Å; L264-V284 WeakPolarHBondContact CA-O 3.22Å; R265-V284 PolarHBondContact N-O 3.1Å; R265-V284 PolarHBondContact O-N 3.31Å; A267-V284 HydrophobicContact CB-CG1 4.03Å; A267-V284 HydrophobicContact CB-CG2 3.72Å; V284-T288 HydrophobicContact CB-CG2 4.03Å; V284-T288 HydrophobicContact CG1-CG2 3.93Å; V284-V290 HydrophobicContact CG2-CG2 4.09Å
285	D	78.5	Confident	66.8	Low	14 Å²	14	65 Å²	65	8%	0.075	32%	0.324	C	S	.	.			trans	-80.9	-179.4	168.3	63.2	56.4	0	0	0	111.2	T239 R242 L264 K287 T288	T239-D285 HydrophobicContact CG2-CB 4.27Å; T239-D285 WeakPolarHBondContact CG2-OD2 3.31Å; T239-D285 PolarHBondContact OG1-N 3.01Å; R242-D285 IonicContact CZ-OD1 3.11Å; R242-D285 IonicContact CZ-OD2 2.91Å; R242-D285 IonicContact NE-OD2 3.82Å; R242-D285 IonicContact NH1-OD1 2.73Å; R242-D285 PolarHBondContact NH1-OD1 3.26Å; R242-D285 IonicContact NH1-OD2 2.7Å; R242-D285 PolarHBondContact NH1-OD2 3.36Å; R242-D285 IonicContact NH2-OD1 2.69Å; R242-D285 PolarHBondContact NH2-OD1 3.27Å; R242-D285 IonicContact NH2-OD2 2.63Å; R242-D285 PolarHBondContact NH2-OD2 2.8Å; L264-D285 HydrophobicContact CD2-CB 3.75Å; D285-K287 VanDerWaalsContact C-N 3.31Å; D285-K287 PolarHBondContact O-N 3.36Å; D285-K287 WeakPolarHBondContact OD1-CA 3.2Å; D285-K287 PolarHBondContact OD1-N 2.79Å; D285-T288 PolarHBondContact O-N 2.9Å; D285-T288 PolarHBondContact OD1-N 3.1Å
286	R	74.7	Confident	65.3	Low	158 Å²	158	69.2 Å²	69.2	60%	0.596	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.5	-176.9	-67.6	-177.7	175	-167	1.9	114.8	R265	R265-R286 VanDerWaalsContact NH2-NE 3.19Å; R265-R286 VanDerWaalsContact NH2-NH2 3.18Å
287	K	70	Confident	63.4	Low	150 Å²	150	73.6 Å²	73.6	65%	0.652	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-13.8	-177.3	-36.4	-178.6	-178.4	169.3	0	112.2	R242 D285 V289	R242-K287 VanDerWaalsContact NH1-CB 3.33Å; D285-K287 VanDerWaalsContact C-N 3.31Å; D285-K287 PolarHBondContact O-N 3.36Å; D285-K287 WeakPolarHBondContact OD1-CA 3.2Å; D285-K287 PolarHBondContact OD1-N 2.79Å; K287-V289 PolarHBondContact O-N 2.78Å
288	T	67.2	Low	61.3	Low	15 Å²	15	76.1 Å²	76.1	9%	0.092	38%	0.378	C	S	.	.	S	Bend	trans	-68.7	123.2	173.5	-61.5	0	0	0	0	109.1	T239 R242 V284 D285 V290	T239-T288 PolarHBondContact OG1-OG1 2.97Å; R242-T288 PolarHBondContact NH2-OG1 2.88Å; V284-T288 HydrophobicContact CB-CG2 4.03Å; V284-T288 HydrophobicContact CG1-CG2 3.93Å; D285-T288 PolarHBondContact O-N 2.9Å; D285-T288 PolarHBondContact OD1-N 3.1Å; T288-V290 PolarHBondContact O-N 2.89Å
289	V	56.6	Low	59	Low	120 Å²	120	78.4 Å²	78.4	73%	0.727	39%	0.394	S	S	*	.			trans	-68.8	106.2	179.7	-179	0	0	0	0	108.8	K287	K287-V289 PolarHBondContact O-N 2.78Å
290	V	53.2	Low	56.8	Low	53 Å²	53	83.8 Å²	83.8	32%	0.321	42%	0.423	S	S	.	.			trans	-95.4	120.5	170	-167.8	0	0	0	0	107.1	V284 T288 S292 P299	V284-V290 HydrophobicContact CG2-CG2 4.09Å; T288-V290 PolarHBondContact O-N 2.89Å; V290-S292 PolarHBondContact O-N 3.43Å; V290-P299 HydrophobicContact CG1-CG 4.32Å
291	F	49.2	Very low	54.7	Low	176 Å²	176	86.2 Å²	86.2	77%	0.772	44%	0.435	S	S	*	.			trans	-64.5	101.9	170.3	-69.3	-80.8	0	0	0	108.5
292	S	39.2	Very low	52.5	Low	51 Å²	51	90.6 Å²	90.6	36%	0.357	46%	0.455	S	S	.	.			trans	-100	134.7	167.5	-166.5	0	0	0	0	108.5	V290 R294 R296	V290-S292 PolarHBondContact O-N 3.43Å; S292-R294 PolarHBondContact O-N 2.8Å; S292-R296 PolarHBondContact OG-O 3.18Å
293	P	33.7	Very low	50.2	Low	73 Å²	73	91.4 Å²	91.4	47%	0.474	46%	0.464	S	S	.	.			trans	-56.2	131.5	168.5	17.6	-22.3	0	0	0	109.2	N295 P304	P293-N295 PolarHBondContact O-N 2.95Å; P293-P304 HydrophobicContact CG-CB 4.44Å; P293-P304 HydrophobicContact CG-CG 3.75Å
294	R	30.9	Very low	47.5	Very low	217 Å²	217	93.9 Å²	93.9	82%	0.819	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.9	122.2	-176.7	-80.5	-178.7	175.2	-176	-1.5	110.1	S292	S292-R294 PolarHBondContact O-N 2.8Å
295	N	35.2	Very low	45.1	Very low	155 Å²	155	97.3 Å²	97.3	83%	0.829	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.9	-0.1	166	-63.7	-11.3	0	0	0	121.3	P293	P293-N295 PolarHBondContact O-N 2.95Å
296	R	32.9	Very low	42.8	Very low	162 Å²	162	101.6 Å²	101.6	61%	0.611	54%	0.541	S	S	*	.	S	Bend	trans	-141.6	146	164.4	-71.6	-168.1	178	167.1	0.3	114.4	S292	S292-R296 PolarHBondContact OG-O 3.18Å
297	A	32.5	Very low	40.5	Very low	94 Å²	94	97.6 Å²	97.6	78%	0.777	53%	0.534	S	S	*	.	S	Bend	trans	-60.5	130.2	-179.9	0	0	0	0	0	111.3
298	L	36.1	Very low	38.5	Very low	83 Å²	83	99.3 Å²	99.3	44%	0.435	54%	0.544	S	S	.	.	S	Bend	trans	47.9	120.3	168.1	-69	158.3	0	0	0	115.8	L300	L298-L300 PolarHBondContact O-N 3.44Å
299	P	37.3	Very low	36.6	Very low	59 Å²	59	104 Å²	104	38%	0.383	57%	0.573	S	S	.	*			trans	-63.3	101	169.8	26.5	-29.8	0	0	0	108.7	V290	V290-P299 HydrophobicContact CG1-CG 4.32Å
300	L	38.9	Very low	35.2	Very low	113 Å²	113	103.9 Å²	103.9	59%	0.592	58%	0.575	S	S	*	*			trans	-57.2	156.2	162.4	-74.2	163.9	0	0	0	107.7	L298 E302 G303	L298-L300 PolarHBondContact O-N 3.44Å; L300-E302 PolarHBondContact O-N 2.86Å; L300-G303 PolarHBondContact O-N 3.07Å
301	L	42.8	Very low	34	Very low	52 Å²	52	106.7 Å²	106.7	27%	0.272	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54	-11.9	179.5	-112.4	92	0	0	0	114.5	L80 K82 M268	L80-L301 VanDerWaalsContact O-O 3.07Å; K82-L301 HydrophobicContact CB-CD2 3.96Å; K82-L301 HydrophobicContact CD-CD2 4.34Å; M268-L301 HydrophobicContact CE-CG 4.38Å
302	E	38.5	Very low	33.1	Very low	104 Å²	104	106.7 Å²	106.7	49%	0.486	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.6	-4.1	-179.1	-57.7	-172.9	157.1	0	0	114.1	L300	L300-E302 PolarHBondContact O-N 2.86Å
303	G	37.5	Very low	32.6	Very low	20 Å²	20	108.9 Å²	108.9	21%	0.206	61%	0.61	C	S	.	*			trans	63.5	171.6	-171.7	0	0	0	0	0	113	L300 T305	L300-G303 PolarHBondContact O-N 3.07Å; G303-T305 PolarHBondContact O-N 3.03Å
304	P	30.6	Very low	32.5	Very low	94 Å²	94	110.2 Å²	110.2	61%	0.61	62%	0.62	S	S	*	*			trans	-70.6	120.8	177.1	29.4	-34.7	0	0	0	110.5	P293	P293-P304 HydrophobicContact CG-CB 4.44Å; P293-P304 HydrophobicContact CG-CG 3.75Å
305	T	32.7	Very low	32.6	Very low	80 Å²	80	106.4 Å²	106.4	49%	0.491	62%	0.616	S	S	.	*			trans	-72	132.3	164.2	-15.9	0	0	0	0	108.8	G303 V307	G303-T305 PolarHBondContact O-N 3.03Å; T305-V307 VanDerWaalsContact C-N 3.34Å; T305-V307 PolarHBondContact O-N 2.82Å
306	A	28.3	Very low	32.3	Very low	104 Å²	104	106.2 Å²	106.2	86%	0.86	62%	0.615	S	S	*	*			trans	-65.4	93	169.9	0	0	0	0	0	109.3
307	V	28.2	Very low	32.2	Very low	74 Å²	74	103.6 Å²	103.6	45%	0.448	63%	0.628	S	S	.	*			trans	-85.1	117.8	164.4	179.7	0	0	0	0	106.6	T305 V309	T305-V307 VanDerWaalsContact C-N 3.34Å; T305-V307 PolarHBondContact O-N 2.82Å; V307-V309 PolarHBondContact O-N 2.93Å; V307-V309 VanDerWaalsContact O-N 3.1Å
308	Q	27.1	Very low	31.9	Very low	186 Å²	186	108.2 Å²	108.2	87%	0.869	63%	0.633	S	S	*	*			trans	-55.2	114.4	169.8	-71.5	177.3	-17.1	0	0	108.7	P310	Q308-P310 WeakPolarHBondContact O-CD 3.43Å
309	V	26.5	Very low	31.5	Very low	113 Å²	113	111.8 Å²	111.8	69%	0.685	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-80.4	122.9	171.3	177.4	0	0	0	0	107.2	V307 T311	V307-V309 PolarHBondContact O-N 2.93Å; V307-V309 VanDerWaalsContact O-N 3.1Å; V309-T311 PolarHBondContact O-N 2.73Å
310	P	28.2	Very low	31	Very low	119 Å²	119	111.9 Å²	111.9	77%	0.773	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-63.4	122.5	165.6	-12	27	0	0	0	108.2	Q308	Q308-P310 WeakPolarHBondContact O-CD 3.43Å
311	T	27.4	Very low	30.4	Very low	112 Å²	112	114.1 Å²	114.1	69%	0.687	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-68.9	157.6	170.5	45.3	0	0	0	0	110.8	V309	V309-T311 PolarHBondContact O-N 2.73Å
312	H	30.9	Very low	29.8	Very low	176 Å²	176	118.8 Å²	118.8	82%	0.815	70%	0.702	S	S	*	*			trans	92.1	125.7	-179.9	-50.1	-68.6	0	0	0	114.5
313	S	28.9	Very low	29.2	Very low	97 Å²	97	120.5 Å²	120.5	68%	0.678	72%	0.719	S	S	*	*			cis	178.6	151.4	-10.2	39	0	0	0	0	105.9
314	S	31.8	Very low	28.7	Very low	100 Å²	100	122.2 Å²	122.2	70%	0.699	73%	0.732	S	S	*	*			trans	60.4	139	165	53.6	0	0	0	0	117.1
315	D	31.4	Very low	28.8	Very low	137 Å²	137	121.8 Å²	121.8	73%	0.733	73%	0.727	S	S	*	*			cis	-165.7	158.3	4.5	-94.6	-24.7	0	0	0	107.1
316	D	29.7	Very low	29.1	Very low	152 Å²	152	123.9 Å²	123.9	81%	0.813	73%	0.731	S	S	*	*			trans	63.5	109.2	150.2	-62.1	-21.8	0	0	0	123
317	A	30.5	Very low	29.4	Very low	106 Å²	106	124 Å²	124	88%	0.876	73%	0.726	S	S	*	*				155.3	123.7	105.8	0	0	0	0	0	113.1
318	Q	27.5	Very low	29.8	Very low	191 Å²	191	127.8 Å²	127.8	89%	0.893	73%	0.732	S	S	*	*			trans	-75.7	145.6	-178.7	-62.4	169.3	-23.8	0	0	114.3
319	V	27.8	Very low	30.3	Very low	159 Å²	159	124 Å²	124	96%	0.964	72%	0.715	S	S	*	*			trans	-166.7	124.1	136.5	-172.6	0	0	0	0	107.3
320	G	26.1	Very low	30.8	Very low	61 Å²	61	127.3 Å²	127.3	63%	0.629	72%	0.722	S	S	*	*			cis	-172.9	150	-3.2	0	0	0	0	0	112.3
321	L	26.1	Very low	30.9	Very low	160 Å²	160	128.8 Å²	128.8	84%	0.838	72%	0.723	S	S	*	*			trans	43.1	146.9	148.2	-70.5	102.5	0	0	0	123.4
322	H	29.7	Very low	31.4	Very low	150 Å²	150	129.5 Å²	129.5	69%	0.694	72%	0.722	S	S	*	*			cis	-178.2	133.8	-27.1	-105	-56.9	0	0	0	108.2
323	V	27.5	Very low	31.5	Very low	140 Å²	140	128.1 Å²	128.1	85%	0.848	72%	0.716	S	S	*	*			trans	-143	127.5	139.8	178.9	0	0	0	0	106.1	V325	V323-V325 PolarHBondContact O-N 3.11Å
324	A	25.8	Very low	31.7	Very low	56 Å²	56	130.4 Å²	130.4	46%	0.463	72%	0.72	S	S	.	*			trans	-68.2	122.6	-166.6	0	0	0	0	0	113.9	E326	A324-E326 VanDerWaalsContact C-N 3.3Å; A324-E326 HydrophobicContact CB-CB 4.44Å; A324-E326 HydrophobicContact CB-CG 4.32Å; A324-E326 WeakPolarHBondContact CB-OE2 3.5Å
325	V	33.3	Very low	31.7	Very low	84 Å²	84	132.4 Å²	132.4	51%	0.509	72%	0.723	S	S	.	*			trans	-98.8	20.5	166.9	177.5	0	0	0	0	109.6	V323 S327 W328	V323-V325 PolarHBondContact O-N 3.11Å; V325-S327 PolarHBondContact O-N 2.69Å; V325-S327 VanDerWaalsContact O-N 3.14Å; V325-W328 HydrophobicContact CG1-CB 3.73Å; V325-W328 HydrophobicContact CG1-CG 4.14Å; V325-W328 PolarHBondContact O-N 2.89Å
326	E	38.3	Very low	31.7	Very low	124 Å²	124	131.1 Å²	131.1	58%	0.579	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-14	-176	-72.4	141.8	-154.5	0	0	113.1	A324 W328	A324-E326 VanDerWaalsContact C-N 3.3Å; A324-E326 HydrophobicContact CB-CB 4.44Å; A324-E326 HydrophobicContact CB-CG 4.32Å; A324-E326 WeakPolarHBondContact CB-OE2 3.5Å; E326-W328 VanDerWaalsContact C-N 3.3Å; E326-W328 PolarHBondContact O-N 2.92Å
327	S	34.1	Very low	32	Very low	108 Å²	108	129.8 Å²	129.8	76%	0.755	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-4.6	168.6	39.6	0	0	0	0	114.7	V325	V325-S327 PolarHBondContact O-N 2.69Å; V325-S327 VanDerWaalsContact O-N 3.14Å
328	W	37.7	Very low	32.1	Very low	152 Å²	152	132.5 Å²	132.5	58%	0.576	72%	0.722	S	S	*	*	S	Bend	trans	-111.2	-3.3	-179.6	-71.6	77.7	0	0	0	114.2	V325 E326 H330 L331	V325-W328 HydrophobicContact CG1-CB 3.73Å; V325-W328 HydrophobicContact CG1-CG 4.14Å; V325-W328 PolarHBondContact O-N 2.89Å; E326-W328 VanDerWaalsContact C-N 3.3Å; E326-W328 PolarHBondContact O-N 2.92Å; W328-H330 PolarHBondContact O-N 3.33Å; W328-L331 PolarHBondContact O-N 3.08Å
329	Q	37	Very low	32.2	Very low	107 Å²	107	128.8 Å²	128.8	50%	0.5	72%	0.717	S	S	.	*	G	3₁₀ helix	trans	-68.1	-30.2	-173.9	-82.6	176.5	-63.1	0	0	114.5	L331	Q329-L331 VanDerWaalsContact C-N 3.29Å; Q329-L331 PolarHBondContact O-N 3.49Å
330	H	36.4	Very low	32.5	Very low	183 Å²	183	128.2 Å²	128.2	85%	0.847	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-74.2	-12.3	179	-79.6	-64.7	0	0	0	115.5	W328	W328-H330 PolarHBondContact O-N 3.33Å
331	L	32.2	Very low	33	Very low	149 Å²	149	132.7 Å²	132.7	78%	0.78	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-97.7	-3.8	-178.6	-96.8	149.8	0	0	0	113.5	W328 Q329	W328-L331 PolarHBondContact O-N 3.08Å; Q329-L331 VanDerWaalsContact C-N 3.29Å; Q329-L331 PolarHBondContact O-N 3.49Å
332	L	36.7	Very low	33.3	Very low	127 Å²	127	130.2 Å²	130.2	67%	0.665	71%	0.711	S	S	*	*	S	Bend	trans	-115.3	3	-173.9	-78.3	161.4	0	0	0	113.8
333	E	32.8	Very low	33.6	Very low	147 Å²	147	127 Å²	127	69%	0.687	70%	0.703	S	S	*	*	S	Bend	trans	-104.7	8.5	-173.1	-75.6	-177.2	170.7	0	0	115.5
334	D	33.4	Very low	34	Very low	146 Å²	146	124.4 Å²	124.4	78%	0.781	69%	0.687	S	S	*	*	S	Bend	trans	-128.3	133.2	176.3	-114	-19.9	0	0	0	112.7
335	N	32.6	Very low	34.4	Very low	141 Å²	141	129.2 Å²	129.2	75%	0.754	70%	0.698	S	S	*	*			trans	90.4	78.9	172.9	-54.1	-44.3	0	0	0	117.4	T337	N335-T337 PolarHBondContact O-N 3.3Å
336	S	30.8	Very low	34.7	Very low	110 Å²	110	132 Å²	132	77%	0.769	70%	0.701	S	S	*	*			trans	-41.7	121.9	133.3	53.7	0	0	0	0	111.7
337	T	35.7	Very low	34.5	Very low	125 Å²	125	129 Å²	129	77%	0.767	70%	0.703	S	S	*	*			trans	177.3	135.3	135.8	35.1	0	0	0	0	109.5	N335 S339	N335-T337 PolarHBondContact O-N 3.3Å; T337-S339 PolarHBondContact O-N 2.83Å
338	D	31.8	Very low	34.7	Very low	163 Å²	163	132.2 Å²	132.2	87%	0.872	70%	0.7	S	S	*	*	S	Bend	trans	-33.5	118.8	175.4	-64.2	-51.4	0	0	0	116.3
339	S	30.4	Very low	35	Very low	113 Å²	113	129 Å²	129	79%	0.79	69%	0.688	S	S	*	*			trans	140.8	93.2	146.9	77.2	0	0	0	0	110.8	T337	T337-S339 PolarHBondContact O-N 2.83Å
340	I	34.3	Very low	35.1	Very low	146 Å²	146	131.3 Å²	131.3	75%	0.749	70%	0.696	S	S	*	*			trans	-141.6	102.8	178.6	-56.5	179.5	0	0	0	109.9
341	D	35.9	Very low	35.2	Very low	155 Å²	155	129 Å²	129	83%	0.829	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-54.9	132.5	152.4	-79	-40.5	0	0	0	108.4	P343	D341-P343 WeakPolarHBondContact O-CD 3.48Å
342	P	33.9	Very low	35.2	Very low	109 Å²	109	125 Å²	125	71%	0.708	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-67.2	126.7	-174.7	26.1	-31.5	0	0	0	110.2	V344	P342-V344 PolarHBondContact O-N 2.92Å
343	P	35.1	Very low	35.3	Very low	83 Å²	83	125.4 Å²	125.4	54%	0.539	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-66.5	130.3	176.9	23.9	-30.6	0	0	0	110.9	D341 F345	D341-P343 WeakPolarHBondContact O-CD 3.48Å; P343-F345 HydrophobicContact CB-CE2 3.99Å; P343-F345 HydrophobicContact CB-CZ 4.04Å; P343-F345 HydrophobicContact CG-CE2 3.66Å; P343-F345 HydrophobicContact CG-CZ 3.77Å
344	V	35	Very low	35.3	Very low	85 Å²	85	126.2 Å²	126.2	52%	0.515	69%	0.691	S	S	.	*	P	Polyproline II helix	trans	-85.2	116.2	167.1	178.2	0	0	0	0	108.2	P342 Y346	P342-V344 PolarHBondContact O-N 2.92Å; V344-Y346 HydrophobicContact CG1-CE2 3.98Å
345	F	35.7	Very low	35.2	Very low	156 Å²	156	123.2 Å²	123.2	68%	0.684	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-90.3	123.2	176.8	-64.5	-86.8	0	0	0	110.6	P343 F359	P343-F345 HydrophobicContact CB-CE2 3.99Å; P343-F345 HydrophobicContact CB-CZ 4.04Å; P343-F345 HydrophobicContact CG-CE2 3.66Å; P343-F345 HydrophobicContact CG-CZ 3.77Å; F345-F359 HydrophobicContact CD1-CE1 4.11Å
346	Y	39.2	Very low	35	Very low	144 Å²	144	125.1 Å²	125.1	57%	0.565	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-98	123.9	166.6	-62.4	-86.8	0	0	0	108.6	L75 V344	L75-Y346 WeakPolarHBondContact CD2-OH 3.35Å; V344-Y346 HydrophobicContact CG1-CE2 3.98Å
347	G	33.5	Very low	34.9	Very low	61 Å²	61	122.9 Å²	122.9	63%	0.629	67%	0.667	S	S	*	*			trans	-125.7	150.4	176.1	0	0	0	0	0	111.3
348	Y	39.2	Very low	34.4	Very low	175 Å²	175	125 Å²	125	69%	0.686	67%	0.665	S	S	*	*			trans	-78.1	136	172.2	-74.7	-89.9	0	0	0	110.5	K350	Y348-K350 PolarHBondContact O-N 3.49Å
349	Y	42.4	Very low	34.2	Very low	85 Å²	85	123.8 Å²	123.8	33%	0.333	65%	0.652	S	S	.	*	S	Bend	trans	-62.3	-19.7	178.5	174.8	-108	0	0	0	114.1	S192 S237 D238	S192-Y349 WeakPolarHBondContact OG-CD1 3.38Å; S192-Y349 WeakPolarHBondContact OG-CE1 3.19Å; S237-Y349 VanDerWaalsContact CB-OH 3.24Å; S237-Y349 WeakPolarHBondContact CB-OH 3.3Å; S237-Y349 WeakPolarHBondContact OG-CE1 3.5Å; D238-Y349 PolarHBondContact N-OH 3.33Å; D238-Y349 PolarHBondContact OD1-OH 3.21Å; D238-Y349 VanDerWaalsContact OD1-OH 3.08Å; D238-Y349 WeakPolarHBondContact OD2-CE2 3.39Å; D238-Y349 PolarHBondContact OD2-OH 2.87Å
350	K	40.5	Very low	34.1	Very low	154 Å²	154	127 Å²	127	67%	0.67	65%	0.652	S	S	*	*	S	Bend	trans	-138.2	116.7	164.3	-92.2	179.2	174.5	173.3	0	108.4	Y348 P352	Y348-K350 PolarHBondContact O-N 3.49Å; K350-P352 WeakPolarHBondContact O-CD 3.36Å
351	L	37.5	Very low	33.7	Very low	136 Å²	136	127 Å²	127	71%	0.712	65%	0.653	S	S	*	*			trans	-64.2	126.1	168.9	-86.1	127	0	0	0	108.9
352	P	32.6	Very low	33.2	Very low	63 Å²	63	123.9 Å²	123.9	41%	0.409	64%	0.636	S	S	.	*			trans	-59.4	147.8	169.2	-17.6	29.3	0	0	0	109.9	K350 L354 T355	K350-P352 WeakPolarHBondContact O-CD 3.36Å; P352-L354 PolarHBondContact O-N 3.4Å; P352-T355 WeakPolarHBondContact CB-OG1 3.08Å; P352-T355 VanDerWaalsContact CD-OG1 3.3Å; P352-T355 WeakPolarHBondContact CD-OG1 3.37Å; P352-T355 HydrophobicContact CG-CG2 4.42Å; P352-T355 WeakPolarHBondContact CG-OG1 3.31Å
353	P	38.6	Very low	33.1	Very low	137 Å²	137	123.9 Å²	123.9	89%	0.89	63%	0.634	S	S	*	*	S	Bend	trans	-55.7	-21.8	-178.9	-23.8	31.6	0	0	0	114.6
354	L	32.7	Very low	32.9	Very low	164 Å²	164	123.6 Å²	123.6	86%	0.859	63%	0.634	S	S	*	*	S	Bend	trans	-146.4	100	177.5	-74.6	160.5	0	0	0	109	P352	P352-L354 PolarHBondContact O-N 3.4Å
355	T	32.2	Very low	32.7	Very low	83 Å²	83	129.5 Å²	129.5	51%	0.509	65%	0.653	S	S	.	*			trans	-155.2	124.8	162.3	17.8	0	0	0	0	110.7	P352 S357	P352-T355 WeakPolarHBondContact CB-OG1 3.08Å; P352-T355 VanDerWaalsContact CD-OG1 3.3Å; P352-T355 WeakPolarHBondContact CD-OG1 3.37Å; P352-T355 HydrophobicContact CG-CG2 4.42Å; P352-T355 WeakPolarHBondContact CG-OG1 3.31Å; T355-S357 PolarHBondContact O-N 2.94Å; T355-S357 VanDerWaalsContact O-N 3.09Å
356	E	28.4	Very low	32.4	Very low	181 Å²	181	129.9 Å²	129.9	85%	0.846	66%	0.661	S	S	*	*			trans	-63.6	103.3	158.1	-70.8	-178.1	163.3	0	0	108.3	K358	E356-K358 PolarHBondContact O-N 3.48Å
357	S	28.6	Very low	32.1	Very low	63 Å²	63	128.1 Å²	128.1	44%	0.441	67%	0.667	S	S	.	*			trans	-74.4	94.2	172.7	-59.7	0	0	0	0	108.1	T355 F359	T355-S357 PolarHBondContact O-N 2.94Å; T355-S357 VanDerWaalsContact O-N 3.09Å; S357-F359 PolarHBondContact O-N 3.07Å
358	K	25.2	Very low	32.1	Very low	170 Å²	170	130.5 Å²	130.5	74%	0.739	67%	0.674	S	S	*	*			trans	-63.8	101.3	164.6	-79.8	-175.6	177.6	177.7	0	108.2	E356 F360	E356-K358 PolarHBondContact O-N 3.48Å; K358-F360 PolarHBondContact O-N 3.2Å; K358-F360 VanDerWaalsContact O-N 3.07Å
359	F	27	Very low	31.6	Very low	136 Å²	136	130.2 Å²	130.2	60%	0.596	68%	0.684	S	S	*	*			trans	-57.4	111.1	164.6	-83	-87.6	0	0	0	108.2	F345 S357 L361	F345-F359 HydrophobicContact CD1-CE1 4.11Å; S357-F359 PolarHBondContact O-N 3.07Å; F359-L361 VanDerWaalsContact C-N 3.35Å; F359-L361 PolarHBondContact O-N 2.45Å
360	F	27.9	Very low	30.8	Very low	181 Å²	181	134 Å²	134	79%	0.794	71%	0.709	S	S	*	*			trans	-76.4	92.6	168.8	-91.8	-89.2	0	0	0	108.2	K358 L362	K358-F360 PolarHBondContact O-N 3.2Å; K358-F360 VanDerWaalsContact O-N 3.07Å; F360-L362 PolarHBondContact O-N 3.17Å
361	L	27	Very low	30.3	Very low	145 Å²	145	131.5 Å²	131.5	76%	0.759	71%	0.709	S	S	*	*			trans	-69.3	108.6	158.4	-90.3	155.6	0	0	0	108	F359 T363	F359-L361 VanDerWaalsContact C-N 3.35Å; F359-L361 PolarHBondContact O-N 2.45Å; L361-T363 PolarHBondContact O-N 3.32Å
362	L	26.4	Very low	30.1	Very low	90 Å²	90	133.6 Å²	133.6	47%	0.471	71%	0.714	S	S	.	*			trans	-76.7	76.6	168.9	-80.8	164	0	0	0	109.1	Q58 F360	Q58-L362 HydrophobicContact CB-CD2 3.7Å; Q58-L362 HydrophobicContact CG-CD2 3.23Å; Q58-L362 VanDerWaalsContact NE2-CD2 3.32Å; F360-L362 PolarHBondContact O-N 3.17Å
363	T	31.2	Very low	29.7	Very low	110 Å²	110	138.7 Å²	138.7	68%	0.675	74%	0.737	S	S	*	*			trans	-133.1	98.8	162.6	57.3	0	0	0	0	108.7	L361	L361-T363 PolarHBondContact O-N 3.32Å
364	S	29.8	Very low	29.2	Very low	76 Å²	76	137.5 Å²	137.5	53%	0.531	73%	0.733	S	S	.	*			trans	-88.8	105.6	174.1	35.6	0	0	0	0	111	Q58	Q58-S364 PolarHBondContact OE1-OG 2.92Å
365	K	30.9	Very low	28.9	Very low	209 Å²	209	139.9 Å²	139.9	91%	0.909	73%	0.732	S	S	*	*			trans	176	90.9	139.4	-96.4	176.1	-176.3	-173.6	0	109.5
366	L	29.5	Very low	28.9	Very low	165 Å²	165	142.2 Å²	142.2	86%	0.864	74%	0.74	S	S	*	*			trans	-89.4	175.9	149.1	-107.3	92.8	0	0	0	107.4
367	P	33.5	Very low	28.8	Very low	107 Å²	107	137.5 Å²	137.5	70%	0.695	73%	0.732	S	S	*	*			cis	-141.1	157.5	-20.1	31	-11.6	0	0	0	115
368	S	33	Very low	28.9	Very low	110 Å²	110	143.1 Å²	143.1	77%	0.769	75%	0.751	S	S	*	*			trans	-165.6	119.7	142.5	45	0	0	0	0	113
369	L	29.4	Very low	29.1	Very low	170 Å²	170	143.1 Å²	143.1	89%	0.89	75%	0.753	S	S	*	*			trans	80.9	92.8	146.5	-57.2	164.1	0	0	0	119.8
370	L	25.2	Very low	29.3	Very low	163 Å²	163	143.8 Å²	143.8	85%	0.853	77%	0.768	S	S	*	*			trans	-54.3	170.2	136.9	-79.2	159.3	0	0	0	111.1
371	P	30.8	Very low	29.4	Very low	103 Å²	103	142.3 Å²	142.3	67%	0.669	77%	0.769	S	S	*	*			cis	-143.2	-173.1	8.9	25	2.7	0	0	0	115.5
372	Q	32.8	Very low	29.9	Very low	179 Å²	179	140.2 Å²	140.2	84%	0.836	77%	0.766	S	S	*	*			trans	104	90.7	148.1	-52.3	-166	-11.2	0	0	119.5
373	L	23.1	Very low	30.1	Very low	170 Å²	170	143.2 Å²	143.2	89%	0.89	78%	0.783	S	S	*	*				18.2	148.8	123.3	-74.5	157.8	0	0	0	121.4
374	S	28.3	Very low	30.2	Very low	113 Å²	113	147.2 Å²	147.2	79%	0.79	79%	0.794	S	S	*	*			trans	95.5	142	151.3	82.2	0	0	0	0	116.1
375	Y	27.7	Very low	30.4	Very low	213 Å²	213	149.3 Å²	149.3	84%	0.835	81%	0.805	S	S	*	*			cis	-178.6	159.4	-13.5	-151.2	-123.8	0	0	0	105.7
376	I	30.4	Very low	30.3	Very low	133 Å²	133	144.2 Å²	144.2	68%	0.682	80%	0.802	S	S	*	*			trans	74.5	106.4	157.7	-45.6	176.3	0	0	0	117.3
377	A	26.9	Very low	30.6	Very low	82 Å²	82	141.4 Å²	141.4	68%	0.678	80%	0.796	S	S	*	*				73.2	117.2	69.4	0	0	0	0	0	116
378	H	31.9	Very low	30.8	Very low	181 Å²	181	141.8 Å²	141.8	84%	0.838	80%	0.801	S	S	*	*				-178.8	136	124.6	-105.3	-71	0	0	0	113.1
379	E	27.5	Very low	31.2	Very low	170 Å²	170	141.8 Å²	141.8	79%	0.794	80%	0.796	S	S	*	*			trans	-63.9	161.3	174.4	-58.1	164.1	135.8	0	0	113.9
380	V	33	Very low	32	Very low	150 Å²	150	138.1 Å²	138.1	91%	0.909	79%	0.785	S	S	*	*				-165	140.4	124.2	167.2	0	0	0	0	110.2
381	N	29.9	Very low	32.7	Very low	150 Å²	150	133.8 Å²	133.8	80%	0.802	77%	0.773	S	S	*	*			trans	-69.7	169.9	-173.5	-79.4	-38.3	0	0	0	118.7
382	S	35.7	Very low	33.3	Very low	101 Å²	101	137.7 Å²	137.7	71%	0.706	78%	0.779	S	S	*	*				111.8	112.8	129.4	72.6	0	0	0	0	120.3
383	D	32.4	Very low	34	Very low	153 Å²	153	138.4 Å²	138.4	82%	0.818	77%	0.774	S	S	*	*				63.1	114.1	129	-54.4	-26.8	0	0	0	122.9
384	E	32.6	Very low	35.3	Very low	194 Å²	194	137.3 Å²	137.3	91%	0.907	76%	0.758	S	S	*	*				166.7	147.2	109.3	-94	-160.6	158.9	0	0	113.1
385	P	33.2	Very low	36.1	Very low	120 Å²	120	137.2 Å²	137.2	78%	0.779	75%	0.748	S	S	*	*			trans	-109.2	164.1	-172.6	39.3	-29.9	0	0	0	116.7
386	A	28.8	Very low	37.4	Very low	102 Å²	102	133.2 Å²	133.2	84%	0.843	74%	0.735	S	S	*	*			trans	79.8	113.5	156.4	0	0	0	0	0	120.6
387	S	36.9	Very low	38.6	Very low	105 Å²	105	131.8 Å²	131.8	73%	0.734	73%	0.729	S	S	*	*			trans	-159.2	140.6	134	62.1	0	0	0	0	113.4	V389	S387-V389 PolarHBondContact O-N 3.17Å; S387-V389 VanDerWaalsContact O-N 3.11Å
388	S	36.9	Very low	40.1	Very low	115 Å²	115	135 Å²	135	80%	0.804	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	54.8	-161.2	62.4	0	0	0	0	115.1
389	V	42.2	Very low	41.7	Very low	110 Å²	110	130 Å²	130	67%	0.667	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	-17.2	-177.7	-175.5	0	0	0	0	113.5	S387	S387-V389 PolarHBondContact O-N 3.17Å; S387-V389 VanDerWaalsContact O-N 3.11Å
390	S	45.3	Very low	43.5	Very low	94 Å²	94	126.7 Å²	126.7	66%	0.657	69%	0.69	S	S	*	*	H	α-helix	trans	-83	-29.7	-179	50.2	0	0	0	0	114.6	K392 R393 W394	S390-K392 PolarHBondContact O-N 3.15Å; S390-R393 PolarHBondContact O-N 2.91Å; S390-W394 PolarHBondContact O-N 3.11Å
391	A	39.6	Very low	44.9	Very low	71 Å²	71	122.4 Å²	122.4	59%	0.587	67%	0.671	S	S	*	*	H	α-helix	trans	-69	-31.8	-177.1	0	0	0	0	0	114.1	L395	A391-L395 PolarHBondContact O-N 3.02Å
392	K	44	Very low	46.6	Very low	185 Å²	185	121.2 Å²	121.2	80%	0.804	66%	0.664	S	S	*	*	H	α-helix	trans	-74.7	-29	179.1	-80.5	-176.3	176.8	177.9	0	113.4	S390 K396	S390-K392 PolarHBondContact O-N 3.15Å; K392-K396 PolarHBondContact O-N 3.46Å
393	R	48.5	Very low	48.1	Very low	195 Å²	195	121.5 Å²	121.5	74%	0.736	66%	0.656	S	S	*	*	H	α-helix	trans	-76.6	-42.9	175.4	-119.5	174.5	-172.2	152.2	1.5	111.3	S390 L395 K396 D397	S390-R393 PolarHBondContact O-N 2.91Å; R393-L395 VanDerWaalsContact C-N 3.32Å; R393-L395 PolarHBondContact O-N 3.44Å; R393-K396 PolarHBondContact O-N 2.96Å; R393-D397 PolarHBondContact O-N 3.16Å
394	W	49.5	Very low	49.9	Very low	146 Å²	146	119.5 Å²	119.5	55%	0.553	65%	0.645	S	S	*	*	H	α-helix	trans	-61.5	-37.4	176.9	-170.9	89.5	0	0	0	113.2	S390 R398	S390-W394 PolarHBondContact O-N 3.11Å; W394-R398 VanDerWaalsContact CZ2-CZ 3.4Å; W394-R398 PolarHBondContact O-N 3.25Å
395	L	45.6	Very low	51.5	Low	111 Å²	111	113 Å²	113	58%	0.581	62%	0.624	S	S	*	*	H	α-helix	trans	-70.2	-35.9	177.4	-150.6	82	0	0	0	112.5	A391 R393 V399	A391-L395 PolarHBondContact O-N 3.02Å; R393-L395 VanDerWaalsContact C-N 3.32Å; R393-L395 PolarHBondContact O-N 3.44Å; L395-V399 VanDerWaalsContact O-CG2 3.26Å; L395-V399 WeakPolarHBondContact O-CG2 3.37Å; L395-V399 PolarHBondContact O-N 3.46Å
396	K	55.2	Low	53.2	Low	129 Å²	129	109.8 Å²	109.8	56%	0.561	61%	0.608	S	S	*	*	H	α-helix	trans	-67.9	-44.8	-179.5	-167.7	-177.8	176.5	-167.1	0	111.6	K392 R393 R398 V399 E400	K392-K396 PolarHBondContact O-N 3.46Å; R393-K396 PolarHBondContact O-N 2.96Å; K396-R398 VanDerWaalsContact C-N 3.34Å; K396-R398 PolarHBondContact O-N 3.49Å; K396-V399 PolarHBondContact O-N 2.88Å; K396-E400 VanDerWaalsContact CE-OE1 3.23Å; K396-E400 WeakPolarHBondContact CE-OE1 3.37Å; K396-E400 IonicContact NZ-OE1 3.23Å; K396-E400 PolarHBondContact O-N 3.37Å
397	D	55	Low	55.2	Low	103 Å²	103	110.7 Å²	110.7	55%	0.551	60%	0.598	S	S	*	*	H	α-helix	trans	-67.4	-34.1	-178.1	-64	-14.5	0	0	0	112	R393 A401	R393-D397 PolarHBondContact O-N 3.16Å; D397-A401 WeakPolarHBondContact O-CB 3.38Å; D397-A401 PolarHBondContact O-N 3Å; D397-A401 VanDerWaalsContact O-N 3.08Å
398	R	57.5	Low	56.7	Low	150 Å²	150	110.4 Å²	110.4	57%	0.566	59%	0.587	S	S	*	*	H	α-helix	trans	-71.7	-35.7	174.6	-93.8	-173.5	165.3	-162.2	-1.1	113.5	W394 K396 L402	W394-R398 VanDerWaalsContact CZ2-CZ 3.4Å; W394-R398 PolarHBondContact O-N 3.25Å; K396-R398 VanDerWaalsContact C-N 3.34Å; K396-R398 PolarHBondContact O-N 3.49Å; R398-L402 WeakPolarHBondContact O-CB 3.25Å; R398-L402 WeakPolarHBondContact O-CG 3.23Å; R398-L402 PolarHBondContact O-N 2.99Å
399	V	66.3	Low	58.3	Low	75 Å²	75	114.2 Å²	114.2	46%	0.455	58%	0.584	S	S	.	*	H	α-helix	trans	-69.6	-40	176.8	172.5	0	0	0	0	110.7	L395 K396 L402 L403	L395-V399 VanDerWaalsContact O-CG2 3.26Å; L395-V399 WeakPolarHBondContact O-CG2 3.37Å; L395-V399 PolarHBondContact O-N 3.46Å; K396-V399 PolarHBondContact O-N 2.88Å; V399-L402 PolarHBondContact O-N 3.47Å; V399-L403 HydrophobicContact CG1-CD1 4.06Å; V399-L403 WeakPolarHBondContact O-CB 3.35Å; V399-L403 WeakPolarHBondContact O-CG 3.26Å; V399-L403 PolarHBondContact O-N 2.86Å
400	E	65.3	Low	59.4	Low	102 Å²	102	112.3 Å²	112.3	48%	0.477	57%	0.573	S	S	.	*	H	α-helix	trans	-64.2	-42	174.3	-72.6	-178.8	-172.9	0	0	111.7	K396 L402 L403 L404	K396-E400 VanDerWaalsContact CE-OE1 3.23Å; K396-E400 WeakPolarHBondContact CE-OE1 3.37Å; K396-E400 IonicContact NZ-OE1 3.23Å; K396-E400 PolarHBondContact O-N 3.37Å; E400-L402 PolarHBondContact O-N 3.42Å; E400-L403 PolarHBondContact O-N 3.39Å; E400-L404 WeakPolarHBondContact O-CB 3.42Å; E400-L404 PolarHBondContact O-N 3.46Å
401	A	61.7	Low	60.4	Low	60 Å²	60	115 Å²	115	50%	0.496	57%	0.573	S	S	.	*	H	α-helix	trans	-64	-39.6	175.7	0	0	0	0	0	113.2	D397 L404 A405	D397-A401 WeakPolarHBondContact O-CB 3.38Å; D397-A401 PolarHBondContact O-N 3Å; D397-A401 VanDerWaalsContact O-N 3.08Å; A401-L404 PolarHBondContact O-N 3.08Å; A401-A405 WeakPolarHBondContact O-CB 3.43Å; A401-A405 PolarHBondContact O-N 3.27Å
402	L	66.9	Low	61.6	Low	125 Å²	125	115.2 Å²	115.2	65%	0.654	57%	0.567	S	S	*	*	H	α-helix	trans	-67.1	-40.1	175.9	-78	167.6	0	0	0	112.2	R398 V399 E400 A405 A406	R398-L402 WeakPolarHBondContact O-CB 3.25Å; R398-L402 WeakPolarHBondContact O-CG 3.23Å; R398-L402 PolarHBondContact O-N 2.99Å; V399-L402 PolarHBondContact O-N 3.47Å; E400-L402 PolarHBondContact O-N 3.42Å; L402-A405 PolarHBondContact O-N 3.15Å; L402-A406 WeakPolarHBondContact O-CB 3.21Å; L402-A406 PolarHBondContact O-N 2.91Å
403	L	67.7	Low	62.4	Low	106 Å²	106	108.6 Å²	108.6	56%	0.555	55%	0.546	S	S	*	.	H	α-helix	trans	-64.2	-40.4	174.4	-78.2	165.3	0	0	0	111.7	V399 E400 A406 L407	V399-L403 HydrophobicContact CG1-CD1 4.06Å; V399-L403 WeakPolarHBondContact O-CB 3.35Å; V399-L403 WeakPolarHBondContact O-CG 3.26Å; V399-L403 PolarHBondContact O-N 2.86Å; E400-L403 PolarHBondContact O-N 3.39Å; L403-A406 PolarHBondContact O-N 3.08Å; L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 3.5Å
404	L	68.6	Low	62.8	Low	112 Å²	112	106.2 Å²	106.2	59%	0.586	54%	0.542	S	S	*	.	H	α-helix	trans	-66.3	-42.9	177.3	-140.5	106.3	0	0	0	111.7	E400 A401 A406 L407 I408	E400-L404 WeakPolarHBondContact O-CB 3.42Å; E400-L404 PolarHBondContact O-N 3.46Å; A401-L404 PolarHBondContact O-N 3.08Å; L404-A406 PolarHBondContact O-N 3.05Å; L404-L407 PolarHBondContact O-N 3.2Å; L404-I408 HydrophobicContact CD2-CD1 4.22Å; L404-I408 WeakPolarHBondContact O-CG1 3.25Å; L404-I408 PolarHBondContact O-N 3.42Å
405	A	66.5	Low	63.4	Low	56 Å²	56	105.1 Å²	105.1	46%	0.463	54%	0.541	S	S	.	.	H	α-helix	trans	-62.3	-41.6	175.6	0	0	0	0	0	111.9	A401 L402 I408 W409	A401-A405 WeakPolarHBondContact O-CB 3.43Å; A401-A405 PolarHBondContact O-N 3.27Å; L402-A405 PolarHBondContact O-N 3.15Å; A405-I408 PolarHBondContact O-N 3.22Å; A405-W409 WeakPolarHBondContact O-CB 3.44Å; A405-W409 PolarHBondContact O-N 3.22Å
406	A	68.7	Low	64	Low	54 Å²	54	103.7 Å²	103.7	45%	0.446	53%	0.534	S	S	.	.	H	α-helix	trans	-63.1	-42.6	174.7	0	0	0	0	0	112	L402 L403 L404 W409 V410	L402-A406 WeakPolarHBondContact O-CB 3.21Å; L402-A406 PolarHBondContact O-N 2.91Å; L403-A406 PolarHBondContact O-N 3.08Å; L404-A406 PolarHBondContact O-N 3.05Å; A406-W409 PolarHBondContact O-N 3.4Å; A406-V410 VanDerWaalsContact O-CG2 3.31Å; A406-V410 WeakPolarHBondContact O-CG2 3.36Å; A406-V410 PolarHBondContact O-N 3.41Å
407	L	70.3	Confident	63.8	Low	120 Å²	120	100.1 Å²	100.1	63%	0.628	53%	0.525	S	S	*	.	H	α-helix	trans	-63.8	-42	176.4	-76.7	168.4	0	0	0	112.5	L403 L404 V410 F411	L403-L407 WeakPolarHBondContact O-CG 3.47Å; L403-L407 PolarHBondContact O-N 3.5Å; L404-L407 PolarHBondContact O-N 3.2Å; L407-V410 PolarHBondContact O-N 3.41Å; L407-F411 WeakPolarHBondContact O-CB 3.48Å; L407-F411 PolarHBondContact O-N 3.27Å
408	I	69.7	Low	63.5	Low	99 Å²	99	97.5 Å²	97.5	51%	0.508	52%	0.518	S	S	.	.	H	α-helix	trans	-62.4	-44.1	175.2	-68.8	166.8	0	0	0	110.3	L404 A405 V410 F411 V412	L404-I408 HydrophobicContact CD2-CD1 4.22Å; L404-I408 WeakPolarHBondContact O-CG1 3.25Å; L404-I408 PolarHBondContact O-N 3.42Å; A405-I408 PolarHBondContact O-N 3.22Å; I408-V410 PolarHBondContact O-N 2.97Å; I408-F411 PolarHBondContact O-N 3.19Å; I408-V412 HydrophobicContact CG2-CG2 4.32Å; I408-V412 WeakPolarHBondContact O-CG2 3.47Å; I408-V412 PolarHBondContact O-N 3.37Å
409	W	69.3	Low	63.3	Low	195 Å²	195	93.2 Å²	93.2	74%	0.739	51%	0.51	S	S	*	.	H	α-helix	trans	-63	-42.8	178.9	-158.3	86.4	0	0	0	111.9	A405 A406 F411 V412 A413	A405-W409 WeakPolarHBondContact O-CB 3.44Å; A405-W409 PolarHBondContact O-N 3.22Å; A406-W409 PolarHBondContact O-N 3.4Å; W409-F411 VanDerWaalsContact C-N 3.34Å; W409-F411 PolarHBondContact O-N 3.08Å; W409-V412 PolarHBondContact O-N 3.02Å; W409-A413 WeakPolarHBondContact O-CB 3.36Å; W409-A413 PolarHBondContact O-N 3.5Å
410	V	66.3	Low	62.6	Low	71 Å²	71	97.4 Å²	97.4	43%	0.43	52%	0.518	S	S	.	.	H	α-helix	trans	-62	-40.2	173.1	171.5	0	0	0	0	111.5	A406 L407 I408 K414	A406-V410 VanDerWaalsContact O-CG2 3.31Å; A406-V410 WeakPolarHBondContact O-CG2 3.36Å; A406-V410 PolarHBondContact O-N 3.41Å; L407-V410 PolarHBondContact O-N 3.41Å; I408-V410 PolarHBondContact O-N 2.97Å; V410-K414 HydrophobicContact CG1-CD 4.35Å; V410-K414 WeakPolarHBondContact O-CB 3.43Å; V410-K414 WeakPolarHBondContact O-CG 3.23Å; V410-K414 PolarHBondContact O-N 2.9Å
411	F	65.6	Low	61.8	Low	151 Å²	151	96.1 Å²	96.1	66%	0.662	51%	0.511	S	S	*	.	H	α-helix	trans	-67.5	-44.3	178.8	-162.2	-92.7	0	0	0	112	L407 I408 W409 K414 F415	L407-F411 WeakPolarHBondContact O-CB 3.48Å; L407-F411 PolarHBondContact O-N 3.27Å; I408-F411 PolarHBondContact O-N 3.19Å; W409-F411 VanDerWaalsContact C-N 3.34Å; W409-F411 PolarHBondContact O-N 3.08Å; F411-K414 PolarHBondContact O-N 3.17Å; F411-F415 VanDerWaalsContact O-CB 3.29Å; F411-F415 WeakPolarHBondContact O-CB 3.44Å; F411-F415 PolarHBondContact O-N 3.29Å
412	V	64.9	Low	61.2	Low	75 Å²	75	96.9 Å²	96.9	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-64.4	-40.9	176.4	172.9	0	0	0	0	111.3	I408 W409 F415 N416	I408-V412 HydrophobicContact CG2-CG2 4.32Å; I408-V412 WeakPolarHBondContact O-CG2 3.47Å; I408-V412 PolarHBondContact O-N 3.37Å; W409-V412 PolarHBondContact O-N 3.02Å; V412-F415 PolarHBondContact O-N 3.15Å; V412-N416 WeakPolarHBondContact O-CB 3.28Å; V412-N416 PolarHBondContact O-N 3.06Å; V412-N416 PolarHBondContact O-ND2 3.11Å
413	A	62.1	Low	60.2	Low	45 Å²	45	98.5 Å²	98.5	37%	0.372	51%	0.511	S	S	.	.	H	α-helix	trans	-62.8	-47.2	175.5	0	0	0	0	0	111.7	W409 F415 N416 S417	W409-A413 WeakPolarHBondContact O-CB 3.36Å; W409-A413 PolarHBondContact O-N 3.5Å; A413-F415 PolarHBondContact O-N 2.99Å; A413-N416 PolarHBondContact O-N 3.42Å; A413-S417 PolarHBondContact O-N 2.97Å
414	K	56.3	Low	59.2	Low	146 Å²	146	96.2 Å²	96.2	64%	0.635	50%	0.496	S	S	*	.	H	α-helix	trans	-63.9	-39.1	176.1	-77.5	-173	175.5	-174.2	0	112.7	V410 F411 S417 A418	V410-K414 HydrophobicContact CG1-CD 4.35Å; V410-K414 WeakPolarHBondContact O-CB 3.43Å; V410-K414 WeakPolarHBondContact O-CG 3.23Å; V410-K414 PolarHBondContact O-N 2.9Å; F411-K414 PolarHBondContact O-N 3.17Å; K414-S417 PolarHBondContact O-N 3.19Å; K414-A418 WeakPolarHBondContact O-CB 3.46Å; K414-A418 PolarHBondContact O-N 3.45Å
415	F	63	Low	58.2	Low	122 Å²	122	95 Å²	95	54%	0.535	49%	0.49	S	S	.	.	H	α-helix	trans	-67.1	-41.4	177.9	-167.1	-95	0	0	0	111.8	F411 V412 A413 A418 C419	F411-F415 VanDerWaalsContact O-CB 3.29Å; F411-F415 WeakPolarHBondContact O-CB 3.44Å; F411-F415 PolarHBondContact O-N 3.29Å; V412-F415 PolarHBondContact O-N 3.15Å; A413-F415 PolarHBondContact O-N 2.99Å; F415-A418 PolarHBondContact O-N 3.42Å; F415-C419 PolarHBondContact O-N 2.88Å
416	N	56.3	Low	57.3	Low	81 Å²	81	97.3 Å²	97.3	43%	0.433	49%	0.494	S	S	.	.	H	α-helix	trans	-66.2	-36	175.1	-80.6	-34.6	0	0	0	112.9	V412 A413 R420	V412-N416 WeakPolarHBondContact O-CB 3.28Å; V412-N416 PolarHBondContact O-N 3.06Å; V412-N416 PolarHBondContact O-ND2 3.11Å; A413-N416 PolarHBondContact O-N 3.42Å; N416-R420 WeakPolarHBondContact O-CG 3.42Å; N416-R420 PolarHBondContact O-N 3.26Å
417	S	52.8	Low	56.2	Low	55 Å²	55	104.5 Å²	104.5	39%	0.385	51%	0.509	S	S	.	.	H	α-helix	trans	-65.3	-46.3	169.4	-96	0	0	0	0	111.5	A413 K414 C419 R420 F421	A413-S417 PolarHBondContact O-N 2.97Å; K414-S417 PolarHBondContact O-N 3.19Å; S417-C419 PolarHBondContact O-N 3.12Å; S417-R420 PolarHBondContact O-N 3.38Å; S417-F421 WeakPolarHBondContact O-CB 3.5Å; S417-F421 PolarHBondContact O-N 2.88Å
418	A	48.7	Very low	54.9	Low	48 Å²	48	103.7 Å²	103.7	40%	0.397	50%	0.501	S	S	.	.	H	α-helix	trans	-62.1	-40.1	178.7	0	0	0	0	0	112.7	K414 F415 F421 V422	K414-A418 WeakPolarHBondContact O-CB 3.46Å; K414-A418 PolarHBondContact O-N 3.45Å; F415-A418 PolarHBondContact O-N 3.42Å; A418-F421 PolarHBondContact O-N 3.22Å; A418-V422 VanDerWaalsContact O-CG2 3.29Å; A418-V422 WeakPolarHBondContact O-CG2 3.37Å; A418-V422 PolarHBondContact O-N 3.21Å
419	C	52.6	Low	53.5	Low	59 Å²	59	101.8 Å²	101.8	40%	0.399	51%	0.506	S	S	.	.	H	α-helix	trans	-67.8	-35	175.2	-78	0	0	0	0	113.1	F415 S417 K423	F415-C419 PolarHBondContact O-N 2.88Å; S417-C419 PolarHBondContact O-N 3.12Å; C419-K423 PolarHBondContact O-N 3.39Å; C419-K423 VanDerWaalsContact O-N 3.12Å
420	R	50.7	Low	52	Low	163 Å²	163	99 Å²	99	62%	0.615	51%	0.505	S	S	*	.	H	α-helix	trans	-67.9	-40.2	171.5	-77.7	-173.8	-113.6	173	-5.5	111.4	N416 S417 K423 F424	N416-R420 WeakPolarHBondContact O-CG 3.42Å; N416-R420 PolarHBondContact O-N 3.26Å; S417-R420 PolarHBondContact O-N 3.38Å; R420-K423 PolarHBondContact O-N 3.15Å; R420-F424 WeakPolarHBondContact O-CB 3.49Å; R420-F424 PolarHBondContact O-N 3.46Å
421	F	49.6	Very low	50.7	Low	75 Å²	75	103.6 Å²	103.6	33%	0.329	51%	0.514	S	S	.	.	H	α-helix	trans	-66	-39.5	176.7	-173.7	-109.8	0	0	0	112.6	S417 A418 F424 L425 D537	S417-F421 WeakPolarHBondContact O-CB 3.5Å; S417-F421 PolarHBondContact O-N 2.88Å; A418-F421 PolarHBondContact O-N 3.22Å; F421-F424 CarbonylContact O-C 3.56Å; F421-F424 WeakPolarHBondContact O-CB 3.23Å; F421-F424 PolarHBondContact O-N 2.87Å; F421-L425 HydrophobicContact CD1-CD1 3.61Å; F421-L425 HydrophobicContact CD1-CG 4.22Å; F421-L425 HydrophobicContact CE1-CD1 3.21Å; F421-L425 HydrophobicContact CE1-CG 3.9Å; F421-L425 HydrophobicContact CE2-CG 4.43Å; F421-L425 HydrophobicContact CG-CD1 4.46Å; F421-L425 HydrophobicContact CZ-CD1 3.76Å; F421-L425 HydrophobicContact CZ-CD2 4.31Å; F421-L425 HydrophobicContact CZ-CG 4Å; F421-L425 WeakPolarHBondContact O-CB 3.32Å; F421-L425 WeakPolarHBondContact O-CG 3.36Å; F421-L425 PolarHBondContact O-N 3.26Å; F421-D537 HydrophobicContact CD2-CB 4.28Å; F421-D537 VanDerWaalsContact CD2-OD2 3.26Å; F421-D537 WeakPolarHBondContact CD2-OD2 3.21Å; F421-D537 HydrophobicContact CE2-CB 4.43Å
422	V	49.5	Very low	49.3	Very low	76 Å²	76	107.1 Å²	107.1	46%	0.461	52%	0.523	S	S	.	.	H	α-helix	trans	-66.8	-39.5	173	171.9	0	0	0	0	110.8	A418 F424 L425 I426	A418-V422 VanDerWaalsContact O-CG2 3.29Å; A418-V422 WeakPolarHBondContact O-CG2 3.37Å; A418-V422 PolarHBondContact O-N 3.21Å; V422-F424 VanDerWaalsContact C-N 3.3Å; V422-F424 PolarHBondContact O-N 3.2Å; V422-L425 PolarHBondContact O-N 3.24Å; V422-I426 HydrophobicContact CG1-CD1 3.65Å; V422-I426 HydrophobicContact CG1-CG1 4.29Å; V422-I426 WeakPolarHBondContact O-CB 3.34Å; V422-I426 WeakPolarHBondContact O-CD1 3.21Å; V422-I426 WeakPolarHBondContact O-CG1 3.46Å; V422-I426 PolarHBondContact O-N 2.9Å
423	K	45.5	Very low	47.8	Very low	159 Å²	159	107.9 Å²	107.9	69%	0.691	54%	0.537	S	S	*	.	H	α-helix	trans	-63.6	-34.5	171.5	-79.7	-179.7	177.5	177	0	112.6	C419 R420 R427	C419-K423 PolarHBondContact O-N 3.39Å; C419-K423 VanDerWaalsContact O-N 3.12Å; R420-K423 PolarHBondContact O-N 3.15Å; K423-R427 WeakPolarHBondContact O-CB 3.37Å; K423-R427 PolarHBondContact O-N 3.17Å
424	F	46.8	Very low	46.4	Very low	58 Å²	58	110.4 Å²	110.4	25%	0.254	55%	0.548	S	S	.	.	H	α-helix	trans	-70.5	-48.2	174.4	-180	-96.9	0	0	0	111.7	R420 F421 V422 I426 R427 F428	R420-F424 WeakPolarHBondContact O-CB 3.49Å; R420-F424 PolarHBondContact O-N 3.46Å; F421-F424 CarbonylContact O-C 3.56Å; F421-F424 WeakPolarHBondContact O-CB 3.23Å; F421-F424 PolarHBondContact O-N 2.87Å; V422-F424 VanDerWaalsContact C-N 3.3Å; V422-F424 PolarHBondContact O-N 3.2Å; F424-I426 PolarHBondContact O-N 2.87Å; F424-R427 CarbonylContact O-C 3.58Å; F424-R427 WeakPolarHBondContact O-CA 3.49Å; F424-R427 WeakPolarHBondContact O-CB 3.24Å; F424-R427 PolarHBondContact O-N 3.27Å; F424-R427 VanDerWaalsContact O-N 3.07Å; F424-F428 HydrophobicContact CE1-CB 4.44Å; F424-F428 HydrophobicContact CE1-CG 4.43Å; F424-F428 HydrophobicContact CE2-CD2 4.3Å; F424-F428 HydrophobicContact CZ-CD2 4.03Å; F424-F428 HydrophobicContact CZ-CE2 4.4Å; F424-F428 HydrophobicContact CZ-CG 4.33Å; F424-F428 VanDerWaalsContact O-CB 3.31Å; F424-F428 WeakPolarHBondContact O-CB 3.5Å; F424-F428 PolarHBondContact O-N 3.48Å
425	L	46.3	Very low	45.1	Very low	86 Å²	86	110.1 Å²	110.1	45%	0.45	56%	0.559	S	S	.	*	H	α-helix	trans	-63.3	-36.6	176.6	-80.7	175.3	0	0	0	112.7	F421 V422 R427 F428 G429	F421-L425 HydrophobicContact CD1-CD1 3.61Å; F421-L425 HydrophobicContact CD1-CG 4.22Å; F421-L425 HydrophobicContact CE1-CD1 3.21Å; F421-L425 HydrophobicContact CE1-CG 3.9Å; F421-L425 HydrophobicContact CE2-CG 4.43Å; F421-L425 HydrophobicContact CG-CD1 4.46Å; F421-L425 HydrophobicContact CZ-CD1 3.76Å; F421-L425 HydrophobicContact CZ-CD2 4.31Å; F421-L425 HydrophobicContact CZ-CG 4Å; F421-L425 WeakPolarHBondContact O-CB 3.32Å; F421-L425 WeakPolarHBondContact O-CG 3.36Å; F421-L425 PolarHBondContact O-N 3.26Å; V422-L425 PolarHBondContact O-N 3.24Å; L425-R427 VanDerWaalsContact C-N 3.31Å; L425-F428 PolarHBondContact O-N 3.38Å; L425-G429 WeakPolarHBondContact O-CA 3.45Å; L425-G429 PolarHBondContact O-N 3.28Å
426	I	48.9	Very low	43.4	Very low	106 Å²	106	108.6 Å²	108.6	54%	0.544	56%	0.563	S	S	.	*	H	α-helix	trans	-66.8	-36	173.2	-68.1	166.5	0	0	0	110.4	V422 F424 L430	V422-I426 HydrophobicContact CG1-CD1 3.65Å; V422-I426 HydrophobicContact CG1-CG1 4.29Å; V422-I426 WeakPolarHBondContact O-CB 3.34Å; V422-I426 WeakPolarHBondContact O-CD1 3.21Å; V422-I426 WeakPolarHBondContact O-CG1 3.46Å; V422-I426 PolarHBondContact O-N 2.9Å; F424-I426 PolarHBondContact O-N 2.87Å; I426-L430 HydrophobicContact CG2-CD1 4.43Å
427	R	44.7	Very low	42.2	Very low	204 Å²	204	110.4 Å²	110.4	77%	0.77	58%	0.582	S	S	*	*	H	α-helix	trans	-73.1	-28.6	174.2	-97.6	180	170.3	165	-3.7	114	K423 F424 L425	K423-R427 WeakPolarHBondContact O-CB 3.37Å; K423-R427 PolarHBondContact O-N 3.17Å; F424-R427 CarbonylContact O-C 3.58Å; F424-R427 WeakPolarHBondContact O-CA 3.49Å; F424-R427 WeakPolarHBondContact O-CB 3.24Å; F424-R427 PolarHBondContact O-N 3.27Å; F424-R427 VanDerWaalsContact O-N 3.07Å; L425-R427 VanDerWaalsContact C-N 3.31Å
428	F	43.3	Very low	41.5	Very low	103 Å²	103	115.1 Å²	115.1	45%	0.452	60%	0.602	S	S	.	*	H	α-helix	trans	-105.5	-36.1	-170.4	-141.6	-94.1	0	0	0	113.6	F424 L425 L430 R431	F424-F428 HydrophobicContact CE1-CB 4.44Å; F424-F428 HydrophobicContact CE1-CG 4.43Å; F424-F428 HydrophobicContact CE2-CD2 4.3Å; F424-F428 HydrophobicContact CZ-CD2 4.03Å; F424-F428 HydrophobicContact CZ-CE2 4.4Å; F424-F428 HydrophobicContact CZ-CG 4.33Å; F424-F428 VanDerWaalsContact O-CB 3.31Å; F424-F428 WeakPolarHBondContact O-CB 3.5Å; F424-F428 PolarHBondContact O-N 3.48Å; L425-F428 PolarHBondContact O-N 3.38Å; F428-L430 PolarHBondContact O-N 2.86Å; F428-R431 PolarHBondContact O-N 2.99Å
429	G	40.2	Very low	40.8	Very low	60 Å²	60	120 Å²	120	62%	0.619	62%	0.621	S	S	*	*	H	α-helix	trans	-72.7	-23.1	-179.4	0	0	0	0	0	114.5	L425	L425-G429 WeakPolarHBondContact O-CA 3.45Å; L425-G429 PolarHBondContact O-N 3.28Å
430	L	38	Very low	40.5	Very low	137 Å²	137	127.2 Å²	127.2	72%	0.717	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-5.9	174	-91.4	143.5	0	0	0	113.9	I426 F428	I426-L430 HydrophobicContact CG2-CD1 4.43Å; F428-L430 PolarHBondContact O-N 2.86Å
431	R	38.8	Very low	40.5	Very low	167 Å²	167	126.6 Å²	126.6	63%	0.63	65%	0.649	S	S	*	*	S	Bend	trans	-107.1	-1.6	-172.7	-83.3	-174.6	172.2	-162.1	-5.4	116.1	F428	F428-R431 PolarHBondContact O-N 2.99Å
432	R	37	Very low	41.3	Very low	224 Å²	224	132 Å²	132	85%	0.845	68%	0.676	S	S	*	*	S	Bend	trans	-95.5	8	-176.6	-124.7	177.6	176.8	-178.3	-1.7	115.3
433	A	32.4	Very low	42.5	Very low	91 Å²	91	129.5 Å²	129.5	75%	0.752	67%	0.665	S	S	*	*	S	Bend	trans	-124.8	12.3	-177.9	0	0	0	0	0	115.3
434	V	33.2	Very low	44.5	Very low	98 Å²	98	124.7 Å²	124.7	59%	0.594	65%	0.649	S	S	*	*			trans	-130.3	71.8	176.7	-170.8	0	0	0	0	109.8
435	T	28.4	Very low	46.6	Very low	141 Å²	141	126.4 Å²	126.4	87%	0.865	66%	0.664	S	S	*	*			trans	-97	74.3	162.6	46.3	0	0	0	0	108.5
436	S	28.4	Very low	48.7	Very low	89 Å²	89	123.1 Å²	123.1	62%	0.622	65%	0.648	S	S	*	*	S	Bend	trans	-174.1	120.5	159.7	56.1	0	0	0	0	108.5
437	S	31.1	Very low	50.7	Low	119 Å²	119	120.8 Å²	120.8	83%	0.832	65%	0.65	S	S	*	*			trans	51.4	86.5	170.8	61.3	0	0	0	0	117
438	L	36.8	Very low	52.9	Low	154 Å²	154	117.9 Å²	117.9	81%	0.806	64%	0.639	S	S	*	*			trans	-80.5	120.1	159.6	-86.1	146.7	0	0	0	108.6	R440	L438-R440 PolarHBondContact O-N 3.2Å
439	D	35.3	Very low	55.4	Low	150 Å²	150	113 Å²	113	80%	0.802	62%	0.617	S	S	*	*			trans	-48.6	123	169.2	-89.6	-33.4	0	0	0	110.1	D441	D439-D441 PolarHBondContact O-N 3.09Å
440	R	46.5	Very low	58	Low	211 Å²	211	113.8 Å²	113.8	80%	0.796	60%	0.602	S	S	*	*	S	Bend	trans	-80.1	5.4	-178.3	-71.7	-176.4	179.9	-177.5	0.2	113.5	L438	L438-R440 PolarHBondContact O-N 3.2Å
441	D	49.4	Very low	60.7	Low	150 Å²	150	107.5 Å²	107.5	80%	0.802	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-13.1	-162.9	-84.7	-5.9	0	0	0	115.9	D439	D439-D441 PolarHBondContact O-N 3.09Å
442	E	66.1	Low	63	Low	190 Å²	190	101.6 Å²	101.6	89%	0.888	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	7.2	-179.5	-68.7	-167.6	159.3	0	0	115.2
443	G	74.6	Confident	65.4	Low	23 Å²	23	93.5 Å²	93.5	24%	0.237	53%	0.53	C	S	.	.	S	Bend	trans	-95.6	159.4	-179	0	0	0	0	0	114.8
444	T	88	Confident	68	Low	58 Å²	58	92.4 Å²	92.4	36%	0.356	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.4	173.2	-56.5	0	0	0	0	110.3	V446 W450 F451	T444-V446 HydrophobicContact CG2-CG2 4.15Å; T444-W450 WeakPolarHBondContact O-CA 3.41Å; T444-F451 HydrophobicContact CG2-CE1 3.69Å; T444-F451 HydrophobicContact CG2-CZ 3.69Å; T444-F451 PolarHBondContact N-O 3.37Å; T444-F451 PolarHBondContact O-N 3.42Å
445	T	91.9	Very high	70.6	Confident	93 Å²	93	90.1 Å²	90.1	57%	0.571	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.3	175.5	-53.2	0	0	0	0	110.4	I449	T445-I449 CarbonylContact C-O 3.56Å; T445-I449 WeakPolarHBondContact CA-O 3.33Å
446	V	89.6	Confident	73.6	Confident	17 Å²	17	86.5 Å²	86.5	10%	0.103	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	110.1	174.8	-173.9	0	0	0	0	108.9	T444 R448 I449 F451 E512 D514 Y519	T444-V446 HydrophobicContact CG2-CG2 4.15Å; V446-R448 PolarHBondContact O-N 3.13Å; V446-I449 PolarHBondContact N-O 2.99Å; V446-I449 PolarHBondContact O-N 3.32Å; V446-F451 HydrophobicContact CG2-CE1 4.42Å; V446-E512 HydrophobicContact CG1-CB 4.19Å; V446-D514 HydrophobicContact CG1-CB 4.15Å; V446-Y519 HydrophobicContact CB-CD2 4.15Å; V446-Y519 HydrophobicContact CB-CE2 4.13Å; V446-Y519 HydrophobicContact CG1-CD2 3.76Å; V446-Y519 HydrophobicContact CG1-CE2 3.75Å; V446-Y519 HydrophobicContact CG2-CD2 4.26Å; V446-Y519 HydrophobicContact CG2-CE1 4.24Å; V446-Y519 HydrophobicContact CG2-CE2 3.79Å
447	G	90.7	Very high	76.6	Confident	57 Å²	57	86.6 Å²	86.6	59%	0.588	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	-122.3	-172.4	0	0	0	0	0	110.7
448	R	92	Very high	79.1	Confident	143 Å²	143	82.2 Å²	82.2	54%	0.54	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-1.5	175.8	-69.7	-175.8	-72.2	168	-9.3	114.7	V446 F471 D472 E512	V446-R448 PolarHBondContact O-N 3.13Å; R448-F471 HydrophobicContact CB-CD2 3.81Å; R448-F471 HydrophobicContact CB-CE2 3.6Å; R448-D472 IonicContact NH1-OD2 2.73Å; R448-D472 PolarHBondContact NH1-OD2 3.38Å; R448-E512 PolarHBondContact N-OE1 3.47Å; R448-E512 IonicContact NE-OE1 3.75Å
449	I	94.6	Very high	81.2	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	127.7	-179.2	-58.4	174.4	0	0	0	108.9	T445 V446 F471 V478 C510 E512 A521	T445-I449 CarbonylContact C-O 3.56Å; T445-I449 WeakPolarHBondContact CA-O 3.33Å; V446-I449 PolarHBondContact N-O 2.99Å; V446-I449 PolarHBondContact O-N 3.32Å; I449-F471 HydrophobicContact CG1-CD2 4.26Å; I449-V478 HydrophobicContact CG2-CB 4.33Å; I449-V478 HydrophobicContact CG2-CG1 3.8Å; I449-V478 HydrophobicContact CG2-CG2 3.53Å; I449-C510 VanDerWaalsContact CD1-SG 3.59Å; I449-C510 VanDerWaalsContact CG1-SG 3.54Å; I449-E512 HydrophobicContact CD1-CB 3.91Å; I449-E512 HydrophobicContact CD1-CG 3.74Å; I449-E512 HydrophobicContact CG1-CB 4.45Å; I449-E512 HydrophobicContact CG1-CG 3.85Å; I449-A521 HydrophobicContact CD1-CB 4.02Å; I449-A521 HydrophobicContact CG1-CB 4.29Å
450	W	95.8	Very high	82.8	Confident	77 Å²	77	76.3 Å²	76.3	29%	0.292	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.9	166.3	179.8	95.4	0	0	0	109.2	T444 D452 G469 V470	T444-W450 WeakPolarHBondContact O-CA 3.41Å; W450-D452 HydrophobicContact CH2-CB 4.04Å; W450-D452 HydrophobicContact CZ3-CB 4.4Å; W450-G469 CarbonylContact O-C 3.55Å; W450-G469 WeakPolarHBondContact O-CA 2.62Å; W450-V470 HydrophobicContact CE3-CB 4.26Å; W450-V470 HydrophobicContact CE3-CG2 4.02Å; W450-V470 HydrophobicContact CZ3-CG2 4.37Å; W450-V470 PolarHBondContact N-O 2.96Å; W450-V470 PolarHBondContact O-N 2.97Å
451	F	93.8	Very high	83.7	Confident	6 Å²	6	70.6 Å²	70.6	3%	0.026	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155	172.9	69.4	-83.9	0	0	0	112.8	T444 V446 A453 Y467 V478 Y519	T444-F451 HydrophobicContact CG2-CE1 3.69Å; T444-F451 HydrophobicContact CG2-CZ 3.69Å; T444-F451 PolarHBondContact N-O 3.37Å; T444-F451 PolarHBondContact O-N 3.42Å; V446-F451 HydrophobicContact CG2-CE1 4.42Å; F451-A453 HydrophobicContact CE2-CB 4.38Å; F451-Y467 HydrophobicContact CD2-CD1 4.08Å; F451-Y467 AromaticContact CD2-CD2 3.84Å; F451-Y467 HydrophobicContact CD2-CD2 3.84Å; F451-Y467 HydrophobicContact CD2-CE2 4.46Å; F451-Y467 AromaticContact CD2-CG 3.62Å; F451-Y467 HydrophobicContact CD2-CG 3.62Å; F451-Y467 HydrophobicContact CE2-CD1 4.32Å; F451-Y467 AromaticContact CE2-CD2 3.89Å; F451-Y467 HydrophobicContact CE2-CD2 3.89Å; F451-Y467 HydrophobicContact CE2-CE1 4.46Å; F451-Y467 HydrophobicContact CE2-CE2 4.06Å; F451-Y467 HydrophobicContact CE2-CG 4.02Å; F451-V478 HydrophobicContact CB-CB 4.24Å; F451-V478 HydrophobicContact CB-CG2 4.06Å; F451-V478 HydrophobicContact CD1-CG1 4.18Å; F451-V478 HydrophobicContact CG-CG1 4.4Å; F451-Y519 AromaticContact CE1-CD1 3.89Å; F451-Y519 HydrophobicContact CE1-CD1 3.89Å; F451-Y519 AromaticContact CE1-CE1 3.57Å; F451-Y519 HydrophobicContact CE1-CE1 3.57Å; F451-Y519 HydrophobicContact CZ-CD1 4.37Å; F451-Y519 AromaticContact CZ-CE1 3.74Å; F451-Y519 HydrophobicContact CZ-CE1 3.74Å
452	D	87.9	Confident	84.5	Confident	43 Å²	43	67.2 Å²	67.2	23%	0.23	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	112.3	176	175.7	-4.4	0	0	0	109.2	W450 G454 Q455 K468	W450-D452 HydrophobicContact CH2-CB 4.04Å; W450-D452 HydrophobicContact CZ3-CB 4.4Å; D452-G454 PolarHBondContact O-N 2.98Å; D452-G454 WeakPolarHBondContact OD1-CA 3.45Å; D452-G454 PolarHBondContact OD1-N 2.95Å; D452-Q455 HydrophobicContact CB-CB 4.16Å; D452-Q455 HydrophobicContact CB-CG 4.34Å; D452-Q455 PolarHBondContact O-N 3.45Å; D452-Q455 VanDerWaalsContact OD2-CD 3.29Å; D452-Q455 VanDerWaalsContact OD2-CG 3.23Å; D452-Q455 WeakPolarHBondContact OD2-CG 3.08Å; D452-Q455 PolarHBondContact OD2-NE2 3.42Å; D452-K468 PolarHBondContact N-O 3.42Å
453	A	87.2	Confident	84.4	Confident	53 Å²	53	60.1 Å²	60.1	44%	0.438	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	-19.6	-179.5	0	0	0	0	0	113.3	F451 Y467	F451-A453 HydrophobicContact CE2-CB 4.38Å; A453-Y467 HydrophobicContact CB-CE1 4.44Å
454	G	86	Confident	84.7	Confident	68 Å²	68	59.3 Å²	59.3	70%	0.701	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	-16.3	172.9	0	0	0	0	0	113.9	D452 V456	D452-G454 PolarHBondContact O-N 2.98Å; D452-G454 WeakPolarHBondContact OD1-CA 3.45Å; D452-G454 PolarHBondContact OD1-N 2.95Å; G454-V456 PolarHBondContact O-N 2.97Å
455	Q	89.5	Confident	84.7	Confident	51 Å²	51	58 Å²	58	24%	0.238	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	67.3	179.3	-72.1	-176.3	51.7	0	0	112.1	D452 L457 Y467 K468	D452-Q455 HydrophobicContact CB-CB 4.16Å; D452-Q455 HydrophobicContact CB-CG 4.34Å; D452-Q455 PolarHBondContact O-N 3.45Å; D452-Q455 VanDerWaalsContact OD2-CD 3.29Å; D452-Q455 VanDerWaalsContact OD2-CG 3.23Å; D452-Q455 WeakPolarHBondContact OD2-CG 3.08Å; D452-Q455 PolarHBondContact OD2-NE2 3.42Å; Q455-L457 PolarHBondContact O-N 3.28Å; Q455-Y467 WeakPolarHBondContact O-CA 3.36Å; Q455-K468 HydrophobicContact CB-CB 4.04Å; Q455-K468 PolarHBondContact O-N 3.49Å
456	V	91	Very high	84.7	Confident	64 Å²	64	55.3 Å²	55.3	39%	0.388	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	123.1	172.8	-178.2	0	0	0	0	110.3	G454 I465 Y467	G454-V456 PolarHBondContact O-N 2.97Å; V456-I465 HydrophobicContact CG1-CG2 3.76Å; V456-I465 HydrophobicContact CG2-CG2 4.23Å; V456-Y467 HydrophobicContact CG2-CD1 3.97Å; V456-Y467 HydrophobicContact CG2-CE1 3.74Å
457	L	90.2	Very high	85	Confident	92 Å²	92	55.2 Å²	55.2	48%	0.482	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-31	174.9	-60.6	177.8	0	0	0	112	Q455 V466 K468 A477 L524	Q455-L457 PolarHBondContact O-N 3.28Å; L457-V466 HydrophobicContact CB-CB 4.42Å; L457-V466 HydrophobicContact CB-CG1 4.23Å; L457-V466 HydrophobicContact CD1-CG1 4.25Å; L457-V466 PolarHBondContact N-O 3.36Å; L457-K468 HydrophobicContact CD1-CB 4.28Å; L457-K468 HydrophobicContact CD2-CB 4.22Å; L457-K468 HydrophobicContact CG-CB 4.3Å; L457-A477 HydrophobicContact CD1-CB 4.09Å; L457-L524 HydrophobicContact CD1-CD1 3.46Å; L457-L524 VanDerWaalsContact CD1-CD1 3.46Å
458	G	84.4	Confident	85.2	Confident	26 Å²	26	55.5 Å²	55.5	27%	0.268	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	172	179.7	0	0	0	0	0	114	V466	G458-V466 PolarHBondContact N-O 3.01Å; G458-V466 PolarHBondContact O-N 3.33Å
459	H	81.1	Confident	85.4	Confident	145 Å²	145	48.8 Å²	48.8	67%	0.671	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.9	177.7	-64.4	-80.1	0	0	0	110.2
460	G	69.5	Low	85.5	Confident	36 Å²	36	50.8 Å²	50.8	37%	0.371	31%	0.313	S	S	.	.			trans	-121	-176.3	174.8	0	0	0	0	0	112.2	T464	G460-T464 PolarHBondContact N-O 3.06Å
461	C	64.1	Low	85.4	Confident	91 Å²	91	48 Å²	48	62%	0.615	30%	0.303	S	S	*	.	S	Bend	trans	-66.9	161.9	175.9	-62.9	0	0	0	0	111.7	G463 T464	C461-G463 PolarHBondContact O-N 3.47Å; C461-T464 WeakPolarHBondContact O-CB 3.24Å; C461-T464 PolarHBondContact O-N 2.88Å; C461-T464 VanDerWaalsContact O-N 3.13Å; C461-T464 PolarHBondContact O-OG1 3.17Å; C461-T464 VanDerWaalsContact O-OG1 3.09Å
462	N	66.4	Low	85.3	Confident	79 Å²	79	52.8 Å²	52.8	42%	0.422	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	36.6	176.1	-56	-6.1	0	0	0	113.5	T464 Y485	N462-T464 PolarHBondContact O-N 3.18Å; N462-Y485 HydrophobicContact CB-CD2 4.14Å; N462-Y485 HydrophobicContact CB-CE1 4.38Å; N462-Y485 HydrophobicContact CB-CE2 3.73Å
463	G	64.5	Low	85.4	Confident	40 Å²	40	54.2 Å²	54.2	41%	0.412	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	18	178.4	0	0	0	0	0	115	C461	C461-G463 PolarHBondContact O-N 3.47Å
464	T	80	Confident	85.6	Confident	7 Å²	7	57.9 Å²	57.9	4%	0.043	36%	0.357	C	S	.	.			trans	-66.2	135.9	172.9	-63.8	0	0	0	0	110.4	G460 C461 N462 K479 R480 I481	G460-T464 PolarHBondContact N-O 3.06Å; C461-T464 WeakPolarHBondContact O-CB 3.24Å; C461-T464 PolarHBondContact O-N 2.88Å; C461-T464 VanDerWaalsContact O-N 3.13Å; C461-T464 PolarHBondContact O-OG1 3.17Å; C461-T464 VanDerWaalsContact O-OG1 3.09Å; N462-T464 PolarHBondContact O-N 3.18Å; T464-K479 HydrophobicContact CG2-CD 4.26Å; T464-K479 HydrophobicContact CG2-CG 3.61Å; T464-R480 VanDerWaalsContact CA-O 3.3Å; T464-R480 WeakPolarHBondContact CA-O 3.44Å; T464-I481 HydrophobicContact CG2-CG1 4.05Å
465	I	87.9	Confident	86.1	Confident	29 Å²	29	58.5 Å²	58.5	15%	0.149	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.3	177.6	-52.1	-176.8	0	0	0	108.4	V456 Y467 R480	V456-I465 HydrophobicContact CG1-CG2 3.76Å; V456-I465 HydrophobicContact CG2-CG2 4.23Å; I465-Y467 HydrophobicContact CB-CE2 3.76Å; I465-Y467 HydrophobicContact CG2-CD1 4.38Å; I465-Y467 HydrophobicContact CG2-CD2 4.27Å; I465-Y467 HydrophobicContact CG2-CE1 3.8Å; I465-Y467 HydrophobicContact CG2-CE2 3.66Å; I465-R480 PolarHBondContact N-O 3.19Å; I465-R480 VanDerWaalsContact N-O 3.11Å; I465-R480 PolarHBondContact O-N 2.84Å
466	V	92.6	Very high	86.4	Confident	37 Å²	37	56.1 Å²	56.1	22%	0.224	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.7	176.5	-172.1	0	0	0	0	109	L457 G458 A477 V478 K479	L457-V466 HydrophobicContact CB-CB 4.42Å; L457-V466 HydrophobicContact CB-CG1 4.23Å; L457-V466 HydrophobicContact CD1-CG1 4.25Å; L457-V466 PolarHBondContact N-O 3.36Å; G458-V466 PolarHBondContact N-O 3.01Å; G458-V466 PolarHBondContact O-N 3.33Å; V466-A477 HydrophobicContact CG1-CB 3.98Å; V466-V478 CarbonylContact C-O 3.52Å; V466-V478 WeakPolarHBondContact CA-O 3.08Å; V466-K479 HydrophobicContact CG2-CB 4.35Å; V466-K479 HydrophobicContact CG2-CG 4.19Å
467	Y	95.7	Very high	86.7	Confident	15 Å²	15	53.6 Å²	53.6	6%	0.059	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	157.8	179.9	-56.5	-88	0	0	0	111.2	F451 A453 Q455 V456 I465 A477 V478 R480	F451-Y467 HydrophobicContact CD2-CD1 4.08Å; F451-Y467 AromaticContact CD2-CD2 3.84Å; F451-Y467 HydrophobicContact CD2-CD2 3.84Å; F451-Y467 HydrophobicContact CD2-CE2 4.46Å; F451-Y467 AromaticContact CD2-CG 3.62Å; F451-Y467 HydrophobicContact CD2-CG 3.62Å; F451-Y467 HydrophobicContact CE2-CD1 4.32Å; F451-Y467 AromaticContact CE2-CD2 3.89Å; F451-Y467 HydrophobicContact CE2-CD2 3.89Å; F451-Y467 HydrophobicContact CE2-CE1 4.46Å; F451-Y467 HydrophobicContact CE2-CE2 4.06Å; F451-Y467 HydrophobicContact CE2-CG 4.02Å; A453-Y467 HydrophobicContact CB-CE1 4.44Å; Q455-Y467 WeakPolarHBondContact O-CA 3.36Å; V456-Y467 HydrophobicContact CG2-CD1 3.97Å; V456-Y467 HydrophobicContact CG2-CE1 3.74Å; I465-Y467 HydrophobicContact CB-CE2 3.76Å; I465-Y467 HydrophobicContact CG2-CD1 4.38Å; I465-Y467 HydrophobicContact CG2-CD2 4.27Å; I465-Y467 HydrophobicContact CG2-CE1 3.8Å; I465-Y467 HydrophobicContact CG2-CE2 3.66Å; Y467-A477 CarbonylContact O-C 3.54Å; Y467-A477 WeakPolarHBondContact O-CA 3.25Å; Y467-V478 PolarHBondContact N-O 3.11Å; Y467-V478 PolarHBondContact O-N 3.2Å; Y467-R480 HydrophobicContact CD2-CB 4.37Å; Y467-R480 HydrophobicContact CE2-CB 3.88Å
468	K	95.4	Very high	86.9	Confident	64 Å²	64	49.2 Å²	49.2	28%	0.278	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	133.1	162	-169.2	178.3	177	179.6	0	109.1	D452 Q455 L457 D475 L524	D452-K468 PolarHBondContact N-O 3.42Å; Q455-K468 HydrophobicContact CB-CB 4.04Å; Q455-K468 PolarHBondContact O-N 3.49Å; L457-K468 HydrophobicContact CD1-CB 4.28Å; L457-K468 HydrophobicContact CD2-CB 4.22Å; L457-K468 HydrophobicContact CG-CB 4.3Å; K468-D475 VanDerWaalsContact CE-OD2 3.27Å; K468-D475 WeakPolarHBondContact CE-OD2 3.31Å; K468-D475 IonicContact NZ-OD2 3.62Å; K468-D475 PolarHBondContact NZ-OD2 2.85Å; K468-L524 HydrophobicContact CD-CD2 4.23Å; K468-L524 HydrophobicContact CG-CD2 4.15Å
469	G	95.6	Very high	87.4	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	-171.9	178.6	0	0	0	0	0	113.8	W450 V476	W450-G469 CarbonylContact O-C 3.55Å; W450-G469 WeakPolarHBondContact O-CA 2.62Å; G469-V476 PolarHBondContact N-O 2.91Å; G469-V476 PolarHBondContact O-N 3.04Å; G469-V476 VanDerWaalsContact O-O 3.14Å
470	V	96.2	Very high	87.9	Confident	43 Å²	43	44 Å²	44	26%	0.261	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	135.6	-179.8	-178.7	0	0	0	0	109.1	W450 R474	W450-V470 HydrophobicContact CE3-CB 4.26Å; W450-V470 HydrophobicContact CE3-CG2 4.02Å; W450-V470 HydrophobicContact CZ3-CG2 4.37Å; W450-V470 PolarHBondContact N-O 2.96Å; W450-V470 PolarHBondContact O-N 2.97Å; V470-R474 CarbonylContact C-O 3.45Å; V470-R474 VanDerWaalsContact CA-O 3.26Å; V470-R474 WeakPolarHBondContact CA-O 3.34Å
471	F	94.9	Very high	88.7	Confident	18 Å²	18	42.4 Å²	42.4	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	125.7	172.5	168.1	-104.4	0	0	0	109.1	R448 I449 G473 R474 V476 F509 C510 A521	R448-F471 HydrophobicContact CB-CD2 3.81Å; R448-F471 HydrophobicContact CB-CE2 3.6Å; I449-F471 HydrophobicContact CG1-CD2 4.26Å; F471-G473 PolarHBondContact O-N 2.79Å; F471-G473 VanDerWaalsContact O-N 3.15Å; F471-R474 PolarHBondContact N-O 2.98Å; F471-R474 VanDerWaalsContact O-CB 3.28Å; F471-R474 WeakPolarHBondContact O-CB 3.18Å; F471-R474 PolarHBondContact O-N 3.27Å; F471-V476 HydrophobicContact CB-CG1 4Å; F471-V476 HydrophobicContact CB-CG2 3.92Å; F471-F509 HydrophobicContact CD1-CB 3.73Å; F471-F509 HydrophobicContact CD1-CG 4.39Å; F471-F509 HydrophobicContact CE1-CB 3.88Å; F471-C510 HydrophobicContact CD2-CB 4.27Å; F471-C510 WeakPolarHBondContact CD2-SG 3.27Å; F471-C510 HydrophobicContact CE1-CB 4.14Å; F471-C510 HydrophobicContact CE2-CB 3.69Å; F471-C510 WeakPolarHBondContact CE2-SG 3Å; F471-C510 HydrophobicContact CZ-CB 3.62Å; F471-A521 HydrophobicContact CB-CB 4.34Å
472	D	92	Very high	89.5	Confident	106 Å²	106	40.2 Å²	40.2	57%	0.567	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.8	42.7	-177.5	-70.1	-13.1	0	0	0	113.4	R448 R474	R448-D472 IonicContact NH1-OD2 2.73Å; R448-D472 PolarHBondContact NH1-OD2 3.38Å; D472-R474 VanDerWaalsContact C-N 3.27Å; D472-R474 PolarHBondContact O-N 2.95Å
473	G	88.8	Confident	90.2	Very high	74 Å²	74	42.6 Å²	42.6	76%	0.763	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	5.2	179.9	0	0	0	0	0	115.3	F471	F471-G473 PolarHBondContact O-N 2.79Å; F471-G473 VanDerWaalsContact O-N 3.15Å
474	R	92.8	Very high	90.8	Very high	130 Å²	130	47.4 Å²	47.4	49%	0.491	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135	-179.8	-124.4	178.2	172.5	173.3	-2	111.3	V470 F471 D472 V476	V470-R474 CarbonylContact C-O 3.45Å; V470-R474 VanDerWaalsContact CA-O 3.26Å; V470-R474 WeakPolarHBondContact CA-O 3.34Å; F471-R474 PolarHBondContact N-O 2.98Å; F471-R474 VanDerWaalsContact O-CB 3.28Å; F471-R474 WeakPolarHBondContact O-CB 3.18Å; F471-R474 PolarHBondContact O-N 3.27Å; D472-R474 VanDerWaalsContact C-N 3.27Å; D472-R474 PolarHBondContact O-N 2.95Å; R474-V476 PolarHBondContact O-N 2.92Å
475	D	95.1	Very high	90.7	Very high	81 Å²	81	50.7 Å²	50.7	43%	0.433	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	125.8	169.9	-90	14.8	0	0	0	110.3	K468 L524	K468-D475 VanDerWaalsContact CE-OD2 3.27Å; K468-D475 WeakPolarHBondContact CE-OD2 3.31Å; K468-D475 IonicContact NZ-OD2 3.62Å; K468-D475 PolarHBondContact NZ-OD2 2.85Å; D475-L524 HydrophobicContact CB-CD2 3.96Å
476	V	96.2	Very high	90.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	158.2	-176.9	-64.4	0	0	0	0	111.7	G469 F471 R474 V478 F509 A521 L522	G469-V476 PolarHBondContact N-O 2.91Å; G469-V476 PolarHBondContact O-N 3.04Å; G469-V476 VanDerWaalsContact O-O 3.14Å; F471-V476 HydrophobicContact CB-CG1 4Å; F471-V476 HydrophobicContact CB-CG2 3.92Å; R474-V476 PolarHBondContact O-N 2.92Å; V476-V478 HydrophobicContact CG2-CG2 3.91Å; V476-F509 HydrophobicContact CB-CD2 4.42Å; V476-F509 HydrophobicContact CG1-CD2 3.48Å; V476-F509 VanDerWaalsContact CG1-CD2 3.48Å; V476-F509 HydrophobicContact CG1-CE2 3.66Å; V476-F509 HydrophobicContact CG1-CG 4.38Å; V476-A521 HydrophobicContact CB-CB 4.38Å; V476-A521 HydrophobicContact CG2-CB 4.2Å; V476-L522 WeakPolarHBondContact CA-O 3.49Å; V476-L522 WeakPolarHBondContact CB-O 3.32Å
477	A	96.6	Very high	89.4	Confident	12 Å²	12	52 Å²	52	10%	0.099	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.2	163.1	0	0	0	0	0	108.9	L457 V466 Y467 A521 L522 L524	L457-A477 HydrophobicContact CD1-CB 4.09Å; V466-A477 HydrophobicContact CG1-CB 3.98Å; Y467-A477 CarbonylContact O-C 3.54Å; Y467-A477 WeakPolarHBondContact O-CA 3.25Å; A477-A521 WeakPolarHBondContact O-CA 3.36Å; A477-L522 PolarHBondContact N-O 3.27Å; A477-L522 PolarHBondContact O-N 3.35Å; A477-L524 HydrophobicContact CB-CD1 4.1Å
478	V	96	Very high	88.3	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	105.2	-177.4	-178.3	0	0	0	0	109.4	I449 F451 V466 Y467 V476 Y519 I520	I449-V478 HydrophobicContact CG2-CB 4.33Å; I449-V478 HydrophobicContact CG2-CG1 3.8Å; I449-V478 HydrophobicContact CG2-CG2 3.53Å; F451-V478 HydrophobicContact CB-CB 4.24Å; F451-V478 HydrophobicContact CB-CG2 4.06Å; F451-V478 HydrophobicContact CD1-CG1 4.18Å; F451-V478 HydrophobicContact CG-CG1 4.4Å; V466-V478 CarbonylContact C-O 3.52Å; V466-V478 WeakPolarHBondContact CA-O 3.08Å; Y467-V478 PolarHBondContact N-O 3.11Å; Y467-V478 PolarHBondContact O-N 3.2Å; V476-V478 HydrophobicContact CG2-CG2 3.91Å; V478-Y519 HydrophobicContact CG1-CD1 4.09Å; V478-I520 WeakPolarHBondContact CA-O 3.32Å
479	K	93.3	Very high	87.6	Confident	16 Å²	16	50.4 Å²	50.4	7%	0.07	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	111.6	176.7	-171.1	-178.3	-168.6	-173.3	0	109.3	T464 V466 I481 E492 Y519 I520 D616	T464-K479 HydrophobicContact CG2-CD 4.26Å; T464-K479 HydrophobicContact CG2-CG 3.61Å; V466-K479 HydrophobicContact CG2-CB 4.35Å; V466-K479 HydrophobicContact CG2-CG 4.19Å; K479-I481 HydrophobicContact CD-CD1 4.2Å; K479-I481 HydrophobicContact CG-CD1 4.31Å; K479-I481 HydrophobicContact CG-CG1 4.19Å; K479-E492 IonicContact NZ-OE1 3.96Å; K479-E492 PolarHBondContact NZ-OE1 2.79Å; K479-E492 IonicContact NZ-OE2 3.97Å; K479-E492 PolarHBondContact NZ-OE2 2.89Å; K479-Y519 CarbonylContact O-C 3.47Å; K479-Y519 WeakPolarHBondContact O-CA 3.2Å; K479-I520 HydrophobicContact CB-CB 4.31Å; K479-I520 PolarHBondContact N-O 2.86Å; K479-I520 PolarHBondContact O-N 2.9Å; K479-D616 IonicContact NZ-OD1 3.04Å; K479-D616 PolarHBondContact NZ-OD1 3.43Å
480	R	92.7	Very high	87	Confident	44 Å²	44	56.1 Å²	56.1	17%	0.166	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.8	176.7	-172.2	-175.6	73.1	146.9	4.4	110.3	T464 I465 Y467 Y517 C518 Y519	T464-R480 VanDerWaalsContact CA-O 3.3Å; T464-R480 WeakPolarHBondContact CA-O 3.44Å; I465-R480 PolarHBondContact N-O 3.19Å; I465-R480 VanDerWaalsContact N-O 3.11Å; I465-R480 PolarHBondContact O-N 2.84Å; Y467-R480 HydrophobicContact CD2-CB 4.37Å; Y467-R480 HydrophobicContact CE2-CB 3.88Å; R480-Y517 HydrophobicContact CG-CD1 3.78Å; R480-Y517 HydrophobicContact CG-CG 3.78Å; R480-Y517 PolarHBondContact NH1-OH 2.91Å; R480-C518 CarbonylContact C-O 3.52Å; R480-C518 WeakPolarHBondContact CA-O 3.21Å; R480-Y519 HydrophobicContact CB-CD1 4.1Å; R480-Y519 HydrophobicContact CB-CE1 4.15Å; R480-Y519 HydrophobicContact CG-CD1 3.91Å; R480-Y519 HydrophobicContact CG-CE1 3.55Å
481	I	85.1	Confident	86	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.2	-177.4	-54	173.7	0	0	0	108.2	T464 K479 Y485 A489 Y517 C518 I520	T464-I481 HydrophobicContact CG2-CG1 4.05Å; K479-I481 HydrophobicContact CD-CD1 4.2Å; K479-I481 HydrophobicContact CG-CD1 4.31Å; K479-I481 HydrophobicContact CG-CG1 4.19Å; I481-Y485 HydrophobicContact CG2-CD2 4.47Å; I481-A489 HydrophobicContact CD1-CB 3.95Å; I481-Y517 CarbonylContact O-C 3.57Å; I481-Y517 WeakPolarHBondContact O-CA 3.46Å; I481-Y517 WeakPolarHBondContact O-CB 3.28Å; I481-C518 PolarHBondContact N-O 3.07Å; I481-C518 PolarHBondContact O-N 2.66Å; I481-I520 HydrophobicContact CD1-CD1 3.84Å
482	F	81.8	Confident	85.2	Confident	45 Å²	45	58.8 Å²	58.8	20%	0.197	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	139.7	173.2	-72.4	-82.1	0	0	0	111.4	E484 Y485 Y517	F482-E484 HydrophobicContact CB-CG 3.87Å; F482-E484 PolarHBondContact O-N 3.18Å; F482-Y485 HydrophobicContact CB-CD2 3.94Å; F482-Y485 HydrophobicContact CB-CE2 4.18Å; F482-Y485 PolarHBondContact O-N 3.49Å; F482-Y517 AromaticContact CD1-CD1 3.91Å; F482-Y517 HydrophobicContact CD1-CD1 3.91Å; F482-Y517 AromaticContact CD1-CE1 3.4Å; F482-Y517 HydrophobicContact CD1-CE1 3.4Å; F482-Y517 VanDerWaalsContact CD1-CE1 3.4Å; F482-Y517 HydrophobicContact CE1-CD1 4.28Å; F482-Y517 AromaticContact CE1-CE1 3.33Å; F482-Y517 HydrophobicContact CE1-CE1 3.33Å; F482-Y517 AromaticContact CE1-CZ 3.89Å; F482-Y517 HydrophobicContact CG-CD1 4.28Å; F482-Y517 HydrophobicContact CG-CE1 4.07Å; F482-Y517 AromaticContact CZ-CE1 3.93Å; F482-Y517 HydrophobicContact CZ-CE1 3.93Å
483	R	81.9	Confident	84.9	Confident	129 Å²	129	53.9 Å²	53.9	49%	0.487	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-62.7	-23.8	-176.4	-172.7	175.8	178.4	-171.6	1.3	113.4	Y485 S486 K515 L516	R483-Y485 PolarHBondContact O-N 3.34Å; R483-S486 WeakPolarHBondContact O-CB 3.47Å; R483-S486 PolarHBondContact O-N 2.69Å; R483-S486 PolarHBondContact O-OG 2.85Å; R483-K515 WeakPolarHBondContact CD-O 3.47Å; R483-K515 PolarHBondContact NH1-O 3.35Å; R483-L516 VanDerWaalsContact CB-O 3.28Å; R483-L516 WeakPolarHBondContact CB-O 3.32Å; R483-L516 PolarHBondContact N-O 3.09Å
484	E	76.9	Confident	84.6	Confident	140 Å²	140	56.5 Å²	56.5	65%	0.654	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-58.1	-27.3	170.3	68.3	-174	-174.5	0	0	112.6	F482	F482-E484 HydrophobicContact CB-CG 3.87Å; F482-E484 PolarHBondContact O-N 3.18Å
485	Y	77	Confident	83.8	Confident	77 Å²	77	51.2 Å²	51.2	30%	0.302	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-97.8	21.4	172.3	-50.5	-71.8	0	0	0	112.8	N462 I481 F482 R483 A487 K488 A489	N462-Y485 HydrophobicContact CB-CD2 4.14Å; N462-Y485 HydrophobicContact CB-CE1 4.38Å; N462-Y485 HydrophobicContact CB-CE2 3.73Å; I481-Y485 HydrophobicContact CG2-CD2 4.47Å; F482-Y485 HydrophobicContact CB-CD2 3.94Å; F482-Y485 HydrophobicContact CB-CE2 4.18Å; F482-Y485 PolarHBondContact O-N 3.49Å; R483-Y485 PolarHBondContact O-N 3.34Å; Y485-A487 PolarHBondContact O-N 3.26Å; Y485-K488 WeakPolarHBondContact O-CA 3.49Å; Y485-K488 VanDerWaalsContact O-CB 3.24Å; Y485-K488 WeakPolarHBondContact O-CB 3.46Å; Y485-K488 PolarHBondContact O-N 2.74Å; Y485-A489 PolarHBondContact O-N 2.58Å; Y485-A489 VanDerWaalsContact O-N 3.11Å
486	S	76.7	Confident	83.3	Confident	39 Å²	39	47.4 Å²	47.4	27%	0.273	22%	0.219	S	C	.	.	H	α-helix	trans	-56.4	-34.7	180	52.6	0	0	0	0	113.4	R483 K488 A489 Q490	R483-S486 WeakPolarHBondContact O-CB 3.47Å; R483-S486 PolarHBondContact O-N 2.69Å; R483-S486 PolarHBondContact O-OG 2.85Å; S486-K488 VanDerWaalsContact C-N 3.25Å; S486-K488 PolarHBondContact O-N 2.78Å; S486-A489 PolarHBondContact O-N 2.85Å; S486-Q490 WeakPolarHBondContact O-CB 3.42Å; S486-Q490 WeakPolarHBondContact O-CG 3.42Å; S486-Q490 PolarHBondContact O-N 2.75Å
487	A	76.2	Confident	82.8	Confident	54 Å²	54	54.3 Å²	54.3	45%	0.446	25%	0.245	S	C	.	.	H	α-helix	trans	-64.2	-28.9	174.7	0	0	0	0	0	113.2	Y485 R491	Y485-A487 PolarHBondContact O-N 3.26Å; A487-R491 WeakPolarHBondContact O-CG 3.31Å; A487-R491 PolarHBondContact O-N 3.44Å; A487-R491 PolarHBondContact O-NE 2.82Å
488	K	73.3	Confident	82	Confident	46 Å²	46	57.2 Å²	57.2	20%	0.2	26%	0.257	C	S	.	.	H	α-helix	trans	-73.5	-49.5	173.3	-178.5	-178	174.2	-177.8	0	109.6	Y485 S486 Q490 R491 E492 D618	Y485-K488 WeakPolarHBondContact O-CA 3.49Å; Y485-K488 VanDerWaalsContact O-CB 3.24Å; Y485-K488 WeakPolarHBondContact O-CB 3.46Å; Y485-K488 PolarHBondContact O-N 2.74Å; S486-K488 VanDerWaalsContact C-N 3.25Å; S486-K488 PolarHBondContact O-N 2.78Å; K488-Q490 PolarHBondContact O-N 3.43Å; K488-R491 PolarHBondContact O-N 2.78Å; K488-R491 VanDerWaalsContact O-N 3.16Å; K488-E492 PolarHBondContact O-N 2.85Å; K488-D618 WeakPolarHBondContact CD-OD2 3.3Å; K488-D618 WeakPolarHBondContact CE-OD2 3.42Å; K488-D618 WeakPolarHBondContact CG-OD2 3.31Å; K488-D618 IonicContact NZ-OD2 2.87Å
489	A	79.8	Confident	81.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56.8	-44.2	176.3	0	0	0	0	0	113	I481 Y485 S486 R491 E492 V493 C518 I520	I481-A489 HydrophobicContact CD1-CB 3.95Å; Y485-A489 PolarHBondContact O-N 2.58Å; Y485-A489 VanDerWaalsContact O-N 3.11Å; S486-A489 PolarHBondContact O-N 2.85Å; A489-R491 PolarHBondContact O-N 2.97Å; A489-E492 PolarHBondContact O-N 3.11Å; A489-V493 WeakPolarHBondContact O-CG2 3.19Å; A489-V493 PolarHBondContact O-N 2.95Å; A489-C518 HydrophobicContact CB-CB 4.18Å; A489-I520 HydrophobicContact CB-CD1 4.19Å
490	Q	82.8	Confident	80.3	Confident	121 Å²	121	58.8 Å²	58.8	57%	0.565	27%	0.266	S	S	*	.	H	α-helix	trans	-64.9	-37.2	178.3	-75.1	178.2	0.4	0	0	113	S486 K488 K494 M511	S486-Q490 WeakPolarHBondContact O-CB 3.42Å; S486-Q490 WeakPolarHBondContact O-CG 3.42Å; S486-Q490 PolarHBondContact O-N 2.75Å; K488-Q490 PolarHBondContact O-N 3.43Å; Q490-K494 WeakPolarHBondContact O-CB 3.42Å; Q490-K494 PolarHBondContact O-N 2.76Å; Q490-M511 HydrophobicContact CG-CE 4.28Å
491	R	76.1	Confident	79.7	Confident	112 Å²	112	61.5 Å²	61.5	42%	0.423	29%	0.292	S	S	.	.	H	α-helix	trans	-66.7	-45.9	174.9	-80.2	-179.7	-79.9	161.9	-6	111.1	A487 K488 A489 V493 K494 L495	A487-R491 WeakPolarHBondContact O-CG 3.31Å; A487-R491 PolarHBondContact O-N 3.44Å; A487-R491 PolarHBondContact O-NE 2.82Å; K488-R491 PolarHBondContact O-N 2.78Å; K488-R491 VanDerWaalsContact O-N 3.16Å; A489-R491 PolarHBondContact O-N 2.97Å; R491-V493 VanDerWaalsContact C-N 3.34Å; R491-V493 PolarHBondContact O-N 3.24Å; R491-K494 PolarHBondContact O-N 3.14Å; R491-L495 WeakPolarHBondContact O-CG 3.24Å; R491-L495 PolarHBondContact O-N 3.46Å; R491-L495 VanDerWaalsContact O-N 3.11Å
492	E	78.8	Confident	79.9	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.019	30%	0.3	C	S	.	.	H	α-helix	trans	-56	-49.2	174.7	-170.9	-177.8	167.7	0	0	110.8	K479 K488 A489 K494 L495 L496	K479-E492 IonicContact NZ-OE1 3.96Å; K479-E492 PolarHBondContact NZ-OE1 2.79Å; K479-E492 IonicContact NZ-OE2 3.97Å; K479-E492 PolarHBondContact NZ-OE2 2.89Å; K488-E492 PolarHBondContact O-N 2.85Å; A489-E492 PolarHBondContact O-N 3.11Å; E492-K494 PolarHBondContact O-N 2.6Å; E492-L495 PolarHBondContact O-N 2.94Å; E492-L496 HydrophobicContact CG-CD1 3.9Å; E492-L496 WeakPolarHBondContact O-CB 3.34Å; E492-L496 WeakPolarHBondContact O-CG 3.39Å; E492-L496 PolarHBondContact O-N 3.4Å
493	V	84.9	Confident	80.4	Confident	4 Å²	4	67.2 Å²	67.2	2%	0.024	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-40.3	178.1	168.7	0	0	0	0	112.5	A489 R491 L495 L496 R497 Y508 M511 I520	A489-V493 WeakPolarHBondContact O-CG2 3.19Å; A489-V493 PolarHBondContact O-N 2.95Å; R491-V493 VanDerWaalsContact C-N 3.34Å; R491-V493 PolarHBondContact O-N 3.24Å; V493-L495 VanDerWaalsContact C-N 3.34Å; V493-L495 PolarHBondContact O-N 3.49Å; V493-L496 PolarHBondContact O-N 3.48Å; V493-R497 HydrophobicContact CG1-CG 4.37Å; V493-R497 WeakPolarHBondContact O-CB 3.44Å; V493-R497 VanDerWaalsContact O-CG 3.29Å; V493-R497 WeakPolarHBondContact O-CG 3.43Å; V493-R497 PolarHBondContact O-N 3.41Å; V493-Y508 HydrophobicContact CB-CE2 4.21Å; V493-Y508 HydrophobicContact CG1-CD2 4.3Å; V493-Y508 HydrophobicContact CG1-CE1 4.32Å; V493-Y508 HydrophobicContact CG1-CE2 3.58Å; V493-Y508 HydrophobicContact CG2-CD2 4.21Å; V493-Y508 HydrophobicContact CG2-CE2 3.7Å; V493-M511 HydrophobicContact CG2-CB 4.19Å; V493-M511 HydrophobicContact CG2-CG 4.38Å; V493-M511 HydrophobicContact CG2-SD 3.8Å; V493-I520 HydrophobicContact CG2-CD1 3.91Å; V493-I520 HydrophobicContact CG2-CG1 4.07Å; V493-I520 HydrophobicContact CG2-CG2 4.11Å
494	K	82.9	Confident	81	Confident	129 Å²	129	61.1 Å²	61.1	56%	0.561	29%	0.291	S	S	*	.	H	α-helix	trans	-59.2	-47.2	176.4	-178.3	179.9	177.2	-178.7	0	111	Q490 R491 E492 R497 E498	Q490-K494 WeakPolarHBondContact O-CB 3.42Å; Q490-K494 PolarHBondContact O-N 2.76Å; R491-K494 PolarHBondContact O-N 3.14Å; E492-K494 PolarHBondContact O-N 2.6Å; K494-R497 PolarHBondContact O-N 2.96Å; K494-E498 WeakPolarHBondContact CE-OE1 3.29Å; K494-E498 WeakPolarHBondContact CG-OE1 3.42Å; K494-E498 VanDerWaalsContact O-CG 3.3Å; K494-E498 WeakPolarHBondContact O-CG 3.46Å; K494-E498 PolarHBondContact O-N 3.44Å; K494-E498 VanDerWaalsContact O-N 3.16Å
495	L	75.3	Confident	81.7	Confident	18 Å²	18	54.6 Å²	54.6	9%	0.094	26%	0.26	C	S	.	.	H	α-helix	trans	-67.9	-41.2	-179.5	-62.4	166.2	0	0	0	112	R491 E492 V493 E498 S499 K589 F617 L619	R491-L495 WeakPolarHBondContact O-CG 3.24Å; R491-L495 PolarHBondContact O-N 3.46Å; R491-L495 VanDerWaalsContact O-N 3.11Å; E492-L495 PolarHBondContact O-N 2.94Å; V493-L495 VanDerWaalsContact C-N 3.34Å; V493-L495 PolarHBondContact O-N 3.49Å; L495-E498 PolarHBondContact O-N 3.43Å; L495-E498 VanDerWaalsContact O-N 3.16Å; L495-S499 WeakPolarHBondContact O-CB 3.4Å; L495-S499 PolarHBondContact O-N 3.42Å; L495-S499 PolarHBondContact O-OG 2.92Å; L495-K589 HydrophobicContact CD2-CD 3.77Å; L495-K589 HydrophobicContact CD2-CG 3.95Å; L495-F617 HydrophobicContact CB-CD2 4.04Å; L495-F617 HydrophobicContact CB-CE2 3.7Å; L495-F617 HydrophobicContact CD1-CD2 4.42Å; L495-L619 HydrophobicContact CD1-CB 3.99Å; L495-L619 HydrophobicContact CD1-CD1 3.33Å; L495-L619 HydrophobicContact CD1-CG 3.52Å; L495-L619 HydrophobicContact CD2-CD1 3.54Å; L495-L619 HydrophobicContact CG-CD1 4.03Å
496	L	84.4	Confident	82.5	Confident	1 Å²	1	51 Å²	51	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-59.1	-47.6	175.2	-78.3	162.2	0	0	0	110.9	E492 V493 E498 S499 D500 V506 Y508 L522 F617	E492-L496 HydrophobicContact CG-CD1 3.9Å; E492-L496 WeakPolarHBondContact O-CB 3.34Å; E492-L496 WeakPolarHBondContact O-CG 3.39Å; E492-L496 PolarHBondContact O-N 3.4Å; V493-L496 PolarHBondContact O-N 3.48Å; L496-E498 PolarHBondContact O-N 2.94Å; L496-S499 PolarHBondContact O-N 3.19Å; L496-S499 PolarHBondContact O-OG 2.97Å; L496-D500 WeakPolarHBondContact O-CB 3.22Å; L496-D500 PolarHBondContact O-N 3.41Å; L496-V506 HydrophobicContact CD2-CG1 3.56Å; L496-V506 WeakPolarHBondContact CD2-O 3.27Å; L496-Y508 HydrophobicContact CB-CG 4.28Å; L496-Y508 HydrophobicContact CD1-CD2 4.42Å; L496-L522 HydrophobicContact CD1-CD2 3.79Å; L496-L522 HydrophobicContact CD2-CD2 4.46Å; L496-F617 HydrophobicContact CD2-CE1 3.8Å; L496-F617 HydrophobicContact CD2-CE2 4.24Å; L496-F617 HydrophobicContact CD2-CZ 3.38Å; L496-F617 HydrophobicContact CG-CE2 4.17Å; L496-F617 HydrophobicContact CG-CZ 3.8Å
497	R	85.6	Confident	83.2	Confident	145 Å²	145	54.9 Å²	54.9	55%	0.547	26%	0.255	S	S	.	.	H	α-helix	trans	-60.5	-29.3	176.2	-72.5	176.7	-173.5	-174.1	4	113.6	V493 K494 Y508	V493-R497 HydrophobicContact CG1-CG 4.37Å; V493-R497 WeakPolarHBondContact O-CB 3.44Å; V493-R497 VanDerWaalsContact O-CG 3.29Å; V493-R497 WeakPolarHBondContact O-CG 3.43Å; V493-R497 PolarHBondContact O-N 3.41Å; K494-R497 PolarHBondContact O-N 2.96Å; R497-Y508 HydrophobicContact CG-CD1 3.69Å; R497-Y508 HydrophobicContact CG-CE1 3.72Å; R497-Y508 PolarHBondContact NH2-OH 3.03Å
498	E	80.5	Confident	84	Confident	74 Å²	74	53.3 Å²	53.3	35%	0.346	24%	0.238	S	C	.	.	H	α-helix	trans	-83.7	-14.3	178.5	-70.4	168.8	-177.7	0	0	112.6	K494 L495 L496 L563 K589	K494-E498 WeakPolarHBondContact CE-OE1 3.29Å; K494-E498 WeakPolarHBondContact CG-OE1 3.42Å; K494-E498 VanDerWaalsContact O-CG 3.3Å; K494-E498 WeakPolarHBondContact O-CG 3.46Å; K494-E498 PolarHBondContact O-N 3.44Å; K494-E498 VanDerWaalsContact O-N 3.16Å; L495-E498 PolarHBondContact O-N 3.43Å; L495-E498 VanDerWaalsContact O-N 3.16Å; L496-E498 PolarHBondContact O-N 2.94Å; E498-L563 WeakPolarHBondContact O-CD1 3.29Å; E498-L563 WeakPolarHBondContact O-CD2 3.39Å; E498-K589 WeakPolarHBondContact OE2-CE 3.48Å; E498-K589 IonicContact OE2-NZ 3.03Å; E498-K589 PolarHBondContact OE2-NZ 2.95Å
499	S	79.8	Confident	84.9	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.007	24%	0.236	C	C	.	.	H	α-helix	trans	-125.2	-14	-170.9	59.2	0	0	0	0	115.4	L495 L496 S501 H502 H559 F617	L495-S499 WeakPolarHBondContact O-CB 3.4Å; L495-S499 PolarHBondContact O-N 3.42Å; L495-S499 PolarHBondContact O-OG 2.92Å; L496-S499 PolarHBondContact O-N 3.19Å; L496-S499 PolarHBondContact O-OG 2.97Å; S499-S501 PolarHBondContact O-N 3.19Å; S499-H502 PolarHBondContact O-N 2.85Å; S499-H559 PolarHBondContact O-NE2 3.37Å; S499-F617 VanDerWaalsContact OG-CZ 3.29Å; S499-F617 WeakPolarHBondContact OG-CZ 3.48Å
500	D	74.5	Confident	85.6	Confident	48 Å²	48	53.1 Å²	53.1	26%	0.257	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-8.7	-174.1	66.8	2.8	0	0	0	114.5	L496 H502 R507	L496-D500 WeakPolarHBondContact O-CB 3.22Å; L496-D500 PolarHBondContact O-N 3.41Å; D500-H502 PolarHBondContact O-N 3.38Å; D500-R507 HydrophobicContact CB-CG 4.42Å
501	S	79.5	Confident	86	Confident	100 Å²	100	49.7 Å²	49.7	70%	0.699	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.6	172.5	69.2	0	0	0	0	113.1	S499	S499-S501 PolarHBondContact O-N 3.19Å
502	H	89.4	Confident	86.9	Confident	43 Å²	43	46.6 Å²	46.6	20%	0.199	21%	0.213	C	C	.	.	S	Bend	trans	-88.2	130.8	-177.8	-169.1	-94.9	0	0	0	112.3	S499 D500 N504 V505 L555 H559	S499-H502 PolarHBondContact O-N 2.85Å; D500-H502 PolarHBondContact O-N 3.38Å; H502-N504 PolarHBondContact CE1-OD1 3.12Å; H502-N504 PolarHBondContact ND1-N 3.26Å; H502-N504 VanDerWaalsContact ND1-N 3.16Å; H502-N504 PolarHBondContact O-N 2.87Å; H502-V505 HydrophobicContact CB-CB 4.44Å; H502-V505 HydrophobicContact CB-CG2 4.07Å; H502-V505 PolarHBondContact O-N 3.38Å; H502-L555 PolarHBondContact CE1-O 2.8Å; H502-H559 HydrophobicContact CB-CB 4.16Å; H502-H559 WeakPolarHBondContact CB-CD2 3.28Å; H502-H559 AromaticContact CD2-CG 3.81Å; H502-H559 AromaticContact CD2-ND1 3.94Å; H502-H559 AromaticContact CG-CD2 3.94Å; H502-H559 AromaticContact CG-CG 3.65Å
503	R	92.7	Very high	87.5	Confident	126 Å²	126	50 Å²	50	48%	0.475	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.6	-176.9	69.1	176.2	-65.1	-85.9	2.8	115.2	V611	R503-V611 WeakPolarHBondContact O-CG1 3.23Å
504	N	94.4	Very high	87.7	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	19.1	180	-56.3	111.9	0	0	0	113.3	H502 Q552 A612 M613 I614	H502-N504 PolarHBondContact CE1-OD1 3.12Å; H502-N504 PolarHBondContact ND1-N 3.26Å; H502-N504 VanDerWaalsContact ND1-N 3.16Å; H502-N504 PolarHBondContact O-N 2.87Å; N504-Q552 WeakPolarHBondContact CB-O 3.49Å; N504-Q552 WeakPolarHBondContact ND2-CB 3.33Å; N504-Q552 PolarHBondContact OD1-O 3.29Å; N504-A612 WeakPolarHBondContact CA-O 3.12Å; N504-A612 WeakPolarHBondContact CB-O 3.5Å; N504-A612 PolarHBondContact ND2-O 3.29Å; N504-M613 WeakPolarHBondContact O-CA 3.43Å; N504-I614 PolarHBondContact O-N 2.9Å
505	V	91.7	Very high	87.8	Confident	3 Å²	3	55 Å²	55	2%	0.018	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-120.1	139.4	169.6	179.3	0	0	0	0	107.8	H502 R507 L560 F617	H502-V505 HydrophobicContact CB-CB 4.44Å; H502-V505 HydrophobicContact CB-CG2 4.07Å; H502-V505 PolarHBondContact O-N 3.38Å; V505-R507 PolarHBondContact O-N 3.06Å; V505-L560 HydrophobicContact CG1-CD2 4.41Å; V505-L560 HydrophobicContact CG2-CD2 4.17Å; V505-L560 HydrophobicContact CG2-CG 4.27Å; V505-F617 HydrophobicContact CG1-CE1 3.65Å; V505-F617 HydrophobicContact CG1-CZ 3.73Å
506	V	92.4	Very high	88.3	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.012	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-61.3	129.3	-178.3	70.5	0	0	0	0	110.3	L496 L522 Q523 L600 I614 F617	L496-V506 HydrophobicContact CD2-CG1 3.56Å; L496-V506 WeakPolarHBondContact CD2-O 3.27Å; V506-L522 HydrophobicContact CG2-CB 4.29Å; V506-Q523 HydrophobicContact CG2-CB 4.02Å; V506-L600 HydrophobicContact CG2-CD1 4.43Å; V506-I614 WeakPolarHBondContact CB-O 3.37Å; V506-I614 PolarHBondContact N-O 3.4Å; V506-F617 HydrophobicContact CG1-CE1 4.42Å
507	R	92.2	Very high	88.6	Confident	120 Å²	120	61.1 Å²	61.1	45%	0.453	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-76.4	132.6	-177.7	-172.7	176.4	-178.4	161.3	5.2	110.9	D500 V505 F509 L522 Q523	D500-R507 HydrophobicContact CB-CG 4.42Å; V505-R507 PolarHBondContact O-N 3.06Å; R507-F509 HydrophobicContact CG-CE1 4.16Å; R507-F509 HydrophobicContact CG-CZ 4.42Å; R507-L522 CarbonylContact O-C 3.54Å; R507-L522 WeakPolarHBondContact O-CA 3.4Å; R507-Q523 HydrophobicContact CB-CB 4.1Å; R507-Q523 PolarHBondContact O-N 3.14Å
508	Y	92.5	Very high	88.8	Confident	21 Å²	21	54.3 Å²	54.3	8%	0.082	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	141.7	170.5	162.6	-88.4	0	0	0	110.8	V493 L496 R497 C510 M511 I520 L522	V493-Y508 HydrophobicContact CB-CE2 4.21Å; V493-Y508 HydrophobicContact CG1-CD2 4.3Å; V493-Y508 HydrophobicContact CG1-CE1 4.32Å; V493-Y508 HydrophobicContact CG1-CE2 3.58Å; V493-Y508 HydrophobicContact CG2-CD2 4.21Å; V493-Y508 HydrophobicContact CG2-CE2 3.7Å; L496-Y508 HydrophobicContact CB-CG 4.28Å; L496-Y508 HydrophobicContact CD1-CD2 4.42Å; R497-Y508 HydrophobicContact CG-CD1 3.69Å; R497-Y508 HydrophobicContact CG-CE1 3.72Å; R497-Y508 PolarHBondContact NH2-OH 3.03Å; Y508-C510 VanDerWaalsContact CE2-O 3.25Å; Y508-C510 WeakPolarHBondContact CE2-O 3.43Å; Y508-C510 VanDerWaalsContact CZ-C 3.46Å; Y508-C510 WeakPolarHBondContact OH-CA 3.5Å; Y508-M511 HydrophobicContact CE2-CB 4.21Å; Y508-M511 PolarHBondContact OH-N 3Å; Y508-M511 VanDerWaalsContact OH-N 3.09Å; Y508-I520 HydrophobicContact CD2-CG2 3.85Å; Y508-I520 HydrophobicContact CE2-CG2 4Å; Y508-L522 HydrophobicContact CD2-CD2 4.33Å
509	F	93	Very high	89.4	Confident	37 Å²	37	51.1 Å²	51.1	16%	0.162	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-56.2	176.6	-64.1	-63.7	0	0	0	112.2	F471 V476 R507 A521 Q523	F471-F509 HydrophobicContact CD1-CB 3.73Å; F471-F509 HydrophobicContact CD1-CG 4.39Å; F471-F509 HydrophobicContact CE1-CB 3.88Å; V476-F509 HydrophobicContact CB-CD2 4.42Å; V476-F509 HydrophobicContact CG1-CD2 3.48Å; V476-F509 VanDerWaalsContact CG1-CD2 3.48Å; V476-F509 HydrophobicContact CG1-CE2 3.66Å; V476-F509 HydrophobicContact CG1-CG 4.38Å; R507-F509 HydrophobicContact CG-CE1 4.16Å; R507-F509 HydrophobicContact CG-CZ 4.42Å; F509-A521 HydrophobicContact CB-CB 4.25Å; F509-A521 PolarHBondContact N-O 2.66Å; F509-Q523 HydrophobicContact CE2-CB 4.43Å
510	C	93.5	Very high	90	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.041	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	168.1	-178.2	73.7	0	0	0	0	112.2	I449 F471 Y508 A521	I449-C510 VanDerWaalsContact CD1-SG 3.59Å; I449-C510 VanDerWaalsContact CG1-SG 3.54Å; F471-C510 HydrophobicContact CD2-CB 4.27Å; F471-C510 WeakPolarHBondContact CD2-SG 3.27Å; F471-C510 HydrophobicContact CE1-CB 4.14Å; F471-C510 HydrophobicContact CE2-CB 3.69Å; F471-C510 WeakPolarHBondContact CE2-SG 3Å; F471-C510 HydrophobicContact CZ-CB 3.62Å; Y508-C510 VanDerWaalsContact CE2-O 3.25Å; Y508-C510 WeakPolarHBondContact CE2-O 3.43Å; Y508-C510 VanDerWaalsContact CZ-C 3.46Å; Y508-C510 WeakPolarHBondContact OH-CA 3.5Å; C510-A521 PolarHBondContact O-N 3.35Å; C510-A521 WeakPolarHBondContact SG-CB 3.48Å
511	M	93	Very high	91	Very high	49 Å²	49	48.8 Å²	48.8	24%	0.241	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	129.4	169.7	-178	-177.3	69.1	0	0	107.9	Q490 V493 Y508 Y519 I520	Q490-M511 HydrophobicContact CG-CE 4.28Å; V493-M511 HydrophobicContact CG2-CB 4.19Å; V493-M511 HydrophobicContact CG2-CG 4.38Å; V493-M511 HydrophobicContact CG2-SD 3.8Å; Y508-M511 HydrophobicContact CE2-CB 4.21Å; Y508-M511 PolarHBondContact OH-N 3Å; Y508-M511 VanDerWaalsContact OH-N 3.09Å; M511-Y519 CarbonylContact C-O 3.58Å; M511-Y519 VanDerWaalsContact CA-O 3.23Å; M511-Y519 WeakPolarHBondContact CA-O 3.49Å; M511-I520 HydrophobicContact CG-CG1 4.23Å
512	E	93.9	Very high	91.7	Very high	46 Å²	46	45 Å²	45	22%	0.215	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	158.2	173.3	-64.8	-72.1	-177.9	0	0	109	V446 R448 I449 Y519	V446-E512 HydrophobicContact CG1-CB 4.19Å; R448-E512 PolarHBondContact N-OE1 3.47Å; R448-E512 IonicContact NE-OE1 3.75Å; I449-E512 HydrophobicContact CD1-CB 3.91Å; I449-E512 HydrophobicContact CD1-CG 3.74Å; I449-E512 HydrophobicContact CG1-CB 4.45Å; I449-E512 HydrophobicContact CG1-CG 3.85Å; E512-Y519 PolarHBondContact N-O 2.92Å; E512-Y519 PolarHBondContact O-N 3.32Å
513	T	91.1	Very high	92	Very high	76 Å²	76	44 Å²	44	47%	0.466	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	140.5	-179.5	58.3	0	0	0	0	110.5	Y517 C518	T513-Y517 WeakPolarHBondContact CA-O 3.41Å; T513-C518 HydrophobicContact CG2-CB 4.12Å
514	D	88.7	Confident	92.1	Very high	50 Å²	50	39.4 Å²	39.4	27%	0.267	19%	0.186	S	C	.	.			trans	-115	-161.9	170.1	71.3	24.2	0	0	0	111.2	V446 L516 Y517 Y519	V446-D514 HydrophobicContact CG1-CB 4.15Å; D514-L516 VanDerWaalsContact C-N 3.3Å; D514-L516 PolarHBondContact O-N 3.2Å; D514-L516 WeakPolarHBondContact OD1-CA 3.32Å; D514-L516 PolarHBondContact OD1-N 3.34Å; D514-Y517 PolarHBondContact N-O 2.8Å; D514-Y517 PolarHBondContact OD1-N 3.06Å; D514-Y519 HydrophobicContact CB-CE2 4.23Å; D514-Y519 WeakPolarHBondContact OD2-CE2 3.4Å; D514-Y519 VanDerWaalsContact OD2-CZ 3.3Å; D514-Y519 PolarHBondContact OD2-OH 3.29Å
515	K	86.4	Confident	92	Very high	187 Å²	187	40.6 Å²	40.6	81%	0.813	19%	0.194	S	C	*	.	S	Bend	trans	-64.1	-33.6	179.7	-67.7	-175.6	-178.8	179	0	113	R483	R483-K515 WeakPolarHBondContact CD-O 3.47Å; R483-K515 PolarHBondContact NH1-O 3.35Å
516	L	84.9	Confident	92	Very high	109 Å²	109	45.3 Å²	45.3	57%	0.571	22%	0.216	S	C	*	.	S	Bend	trans	-111.4	-29.6	-168.7	-64.6	176.8	0	0	0	113.6	R483 D514	R483-L516 VanDerWaalsContact CB-O 3.28Å; R483-L516 WeakPolarHBondContact CB-O 3.32Å; R483-L516 PolarHBondContact N-O 3.09Å; D514-L516 VanDerWaalsContact C-N 3.3Å; D514-L516 PolarHBondContact O-N 3.2Å; D514-L516 WeakPolarHBondContact OD1-CA 3.32Å; D514-L516 PolarHBondContact OD1-N 3.34Å
517	Y	90.3	Very high	92	Very high	39 Å²	39	46 Å²	46	15%	0.153	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.3	-167.1	-53.8	-78.1	0	0	0	113.6	R480 I481 F482 T513 D514 Y519	R480-Y517 HydrophobicContact CG-CD1 3.78Å; R480-Y517 HydrophobicContact CG-CG 3.78Å; R480-Y517 PolarHBondContact NH1-OH 2.91Å; I481-Y517 CarbonylContact O-C 3.57Å; I481-Y517 WeakPolarHBondContact O-CA 3.46Å; I481-Y517 WeakPolarHBondContact O-CB 3.28Å; F482-Y517 AromaticContact CD1-CD1 3.91Å; F482-Y517 HydrophobicContact CD1-CD1 3.91Å; F482-Y517 AromaticContact CD1-CE1 3.4Å; F482-Y517 HydrophobicContact CD1-CE1 3.4Å; F482-Y517 VanDerWaalsContact CD1-CE1 3.4Å; F482-Y517 HydrophobicContact CE1-CD1 4.28Å; F482-Y517 AromaticContact CE1-CE1 3.33Å; F482-Y517 HydrophobicContact CE1-CE1 3.33Å; F482-Y517 AromaticContact CE1-CZ 3.89Å; F482-Y517 HydrophobicContact CG-CD1 4.28Å; F482-Y517 HydrophobicContact CG-CE1 4.07Å; F482-Y517 AromaticContact CZ-CE1 3.93Å; F482-Y517 HydrophobicContact CZ-CE1 3.93Å; T513-Y517 WeakPolarHBondContact CA-O 3.41Å; D514-Y517 PolarHBondContact N-O 2.8Å; D514-Y517 PolarHBondContact OD1-N 3.06Å; Y517-Y519 WeakPolarHBondContact CD2-OH 3.48Å
518	C	89.8	Confident	92.1	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.02	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	138	161	-57.3	0	0	0	0	109.1	R480 I481 A489 T513	R480-C518 CarbonylContact C-O 3.52Å; R480-C518 WeakPolarHBondContact CA-O 3.21Å; I481-C518 PolarHBondContact N-O 3.07Å; I481-C518 PolarHBondContact O-N 2.66Å; A489-C518 HydrophobicContact CB-CB 4.18Å; T513-C518 HydrophobicContact CG2-CB 4.12Å
519	Y	93.9	Very high	92.3	Very high	7 Å²	7	41.3 Å²	41.3	3%	0.027	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.1	-179.3	-57.2	-95.4	0	0	0	109	V446 F451 V478 K479 R480 M511 E512 D514 Y517	V446-Y519 HydrophobicContact CB-CD2 4.15Å; V446-Y519 HydrophobicContact CB-CE2 4.13Å; V446-Y519 HydrophobicContact CG1-CD2 3.76Å; V446-Y519 HydrophobicContact CG1-CE2 3.75Å; V446-Y519 HydrophobicContact CG2-CD2 4.26Å; V446-Y519 HydrophobicContact CG2-CE1 4.24Å; V446-Y519 HydrophobicContact CG2-CE2 3.79Å; F451-Y519 AromaticContact CE1-CD1 3.89Å; F451-Y519 HydrophobicContact CE1-CD1 3.89Å; F451-Y519 AromaticContact CE1-CE1 3.57Å; F451-Y519 HydrophobicContact CE1-CE1 3.57Å; F451-Y519 HydrophobicContact CZ-CD1 4.37Å; F451-Y519 AromaticContact CZ-CE1 3.74Å; F451-Y519 HydrophobicContact CZ-CE1 3.74Å; V478-Y519 HydrophobicContact CG1-CD1 4.09Å; K479-Y519 CarbonylContact O-C 3.47Å; K479-Y519 WeakPolarHBondContact O-CA 3.2Å; R480-Y519 HydrophobicContact CB-CD1 4.1Å; R480-Y519 HydrophobicContact CB-CE1 4.15Å; R480-Y519 HydrophobicContact CG-CD1 3.91Å; R480-Y519 HydrophobicContact CG-CE1 3.55Å; M511-Y519 CarbonylContact C-O 3.58Å; M511-Y519 VanDerWaalsContact CA-O 3.23Å; M511-Y519 WeakPolarHBondContact CA-O 3.49Å; E512-Y519 PolarHBondContact N-O 2.92Å; E512-Y519 PolarHBondContact O-N 3.32Å; D514-Y519 HydrophobicContact CB-CE2 4.23Å; D514-Y519 WeakPolarHBondContact OD2-CE2 3.4Å; D514-Y519 VanDerWaalsContact OD2-CZ 3.3Å; D514-Y519 PolarHBondContact OD2-OH 3.29Å; Y517-Y519 WeakPolarHBondContact CD2-OH 3.48Å
520	I	93.1	Very high	92.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.6	178.5	-52.4	172.4	0	0	0	108.1	V478 K479 I481 A489 V493 Y508 M511 L522	V478-I520 WeakPolarHBondContact CA-O 3.32Å; K479-I520 HydrophobicContact CB-CB 4.31Å; K479-I520 PolarHBondContact N-O 2.86Å; K479-I520 PolarHBondContact O-N 2.9Å; I481-I520 HydrophobicContact CD1-CD1 3.84Å; A489-I520 HydrophobicContact CB-CD1 4.19Å; V493-I520 HydrophobicContact CG2-CD1 3.91Å; V493-I520 HydrophobicContact CG2-CG1 4.07Å; V493-I520 HydrophobicContact CG2-CG2 4.11Å; Y508-I520 HydrophobicContact CD2-CG2 3.85Å; Y508-I520 HydrophobicContact CE2-CG2 4Å; M511-I520 HydrophobicContact CG-CG1 4.23Å; I520-L522 HydrophobicContact CG2-CD2 3.72Å; I520-L522 HydrophobicContact CG2-CG 4Å
521	A	95.2	Very high	92.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123	174.1	0	0	0	0	0	110.5	I449 F471 V476 A477 F509 C510	I449-A521 HydrophobicContact CD1-CB 4.02Å; I449-A521 HydrophobicContact CG1-CB 4.29Å; F471-A521 HydrophobicContact CB-CB 4.34Å; V476-A521 HydrophobicContact CB-CB 4.38Å; V476-A521 HydrophobicContact CG2-CB 4.2Å; A477-A521 WeakPolarHBondContact O-CA 3.36Å; F509-A521 HydrophobicContact CB-CB 4.25Å; F509-A521 PolarHBondContact N-O 2.66Å; C510-A521 PolarHBondContact O-N 3.35Å; C510-A521 WeakPolarHBondContact SG-CB 3.48Å
522	L	94.5	Very high	92.4	Very high	20 Å²	20	44.3 Å²	44.3	11%	0.105	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	164.6	-175.8	-59.3	175.9	0	0	0	111.1	V476 A477 L496 V506 R507 Y508 I520 L524	V476-L522 WeakPolarHBondContact CA-O 3.49Å; V476-L522 WeakPolarHBondContact CB-O 3.32Å; A477-L522 PolarHBondContact N-O 3.27Å; A477-L522 PolarHBondContact O-N 3.35Å; L496-L522 HydrophobicContact CD1-CD2 3.79Å; L496-L522 HydrophobicContact CD2-CD2 4.46Å; V506-L522 HydrophobicContact CG2-CB 4.29Å; R507-L522 CarbonylContact O-C 3.54Å; R507-L522 WeakPolarHBondContact O-CA 3.4Å; Y508-L522 HydrophobicContact CD2-CD2 4.33Å; I520-L522 HydrophobicContact CG2-CD2 3.72Å; I520-L522 HydrophobicContact CG2-CG 4Å; L522-L524 PolarHBondContact O-N 3.2Å
523	Q	94.1	Very high	92.3	Very high	23 Å²	23	42.4 Å²	42.4	11%	0.107	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.3	121.5	169.7	-175.9	58.1	64.2	0	0	110.9	V506 R507 F509 C525 Y602 M613	V506-Q523 HydrophobicContact CG2-CB 4.02Å; R507-Q523 HydrophobicContact CB-CB 4.1Å; R507-Q523 PolarHBondContact O-N 3.14Å; F509-Q523 HydrophobicContact CE2-CB 4.43Å; Q523-C525 PolarHBondContact O-N 2.69Å; Q523-Y602 HydrophobicContact CG-CD2 4.16Å; Q523-Y602 HydrophobicContact CG-CE2 4.45Å; Q523-M613 HydrophobicContact CG-SD 4.12Å
524	L	95	Very high	92.3	Very high	29 Å²	29	44.1 Å²	44.1	15%	0.152	21%	0.214	C	C	.	.			trans	-70.7	128.6	169.9	-173.9	64.1	0	0	0	109.1	L457 K468 D475 A477 L522 Y602	L457-L524 HydrophobicContact CD1-CD1 3.46Å; L457-L524 VanDerWaalsContact CD1-CD1 3.46Å; K468-L524 HydrophobicContact CD-CD2 4.23Å; K468-L524 HydrophobicContact CG-CD2 4.15Å; D475-L524 HydrophobicContact CB-CD2 3.96Å; A477-L524 HydrophobicContact CB-CD1 4.1Å; L522-L524 PolarHBondContact O-N 3.2Å; L524-Y602 WeakPolarHBondContact O-CD2 3.47Å
525	C	93.9	Very high	92.4	Very high	25 Å²	25	43.6 Å²	43.6	17%	0.169	21%	0.211	C	C	.	.			trans	-116.2	160.4	175.9	-64.8	0	0	0	0	110.5	Q523 L600 L601	Q523-C525 PolarHBondContact O-N 2.69Å; C525-L600 HydrophobicContact CB-CB 3.72Å; C525-L600 HydrophobicContact CB-CD1 4.24Å; C525-L601 WeakPolarHBondContact CB-O 3.16Å
526	Q	91.5	Very high	92.5	Very high	103 Å²	103	37.3 Å²	37.3	48%	0.481	20%	0.195	S	C	.	.	S	Bend	trans	-74.4	-42.7	-175.2	-173.5	64.2	34.4	0	0	112.2	I542 L601	Q526-I542 HydrophobicContact CG-CD1 4.09Å; Q526-L601 WeakPolarHBondContact CB-O 3.41Å; Q526-L601 PolarHBondContact N-O 3.29Å
527	C	92.4	Very high	92.7	Very high	15 Å²	15	35.3 Å²	35.3	10%	0.101	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	168.7	-179.9	58.4	0	0	0	0	111.6	H531 L601	C527-H531 HydrophobicContact CB-CB 4.29Å; C527-L601 PolarHBondContact O-N 3.05Å
528	T	94.5	Very high	92.6	Very high	43 Å²	43	33.7 Å²	33.7	26%	0.264	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	158.5	166.4	65.4	0	0	0	0	110.3	Q530 H531 Y532 Q597 V599 L600	T528-Q530 PolarHBondContact O-N 3.37Å; T528-H531 PolarHBondContact O-N 3.43Å; T528-H531 PolarHBondContact OG1-N 3.16Å; T528-Y532 PolarHBondContact O-N 3.46Å; T528-Q597 WeakPolarHBondContact CG2-O 3.48Å; T528-V599 CarbonylContact C-O 3.5Å; T528-L600 HydrophobicContact CG2-CD2 3.81Å
529	L	95.4	Very high	92.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-36	173.8	177.3	62.2	0	0	0	111.5	H531 Y532 V533 L549 P596 V599 L663 V667	L529-H531 VanDerWaalsContact C-N 3.34Å; L529-H531 PolarHBondContact O-N 3.41Å; L529-Y532 HydrophobicContact CD1-CD1 4.12Å; L529-Y532 PolarHBondContact O-N 2.94Å; L529-V533 HydrophobicContact CD1-CG2 3.95Å; L529-V533 HydrophobicContact CG-CG2 4.3Å; L529-V533 WeakPolarHBondContact O-CG2 3.41Å; L529-V533 PolarHBondContact O-N 3.35Å; L529-L549 HydrophobicContact CD1-CD1 3.44Å; L529-L549 VanDerWaalsContact CD1-CD1 3.44Å; L529-L549 HydrophobicContact CD1-CD2 3.48Å; L529-L549 VanDerWaalsContact CD1-CD2 3.48Å; L529-L549 HydrophobicContact CD1-CG 4.06Å; L529-L549 HydrophobicContact CD2-CD2 3.81Å; L529-L549 HydrophobicContact CG-CD2 4.29Å; L529-P596 HydrophobicContact CB-CB 4.36Å; L529-P596 WeakPolarHBondContact CB-O 3.29Å; L529-P596 HydrophobicContact CD2-CB 4.45Å; L529-P596 HydrophobicContact CG-CB 4.33Å; L529-P596 PolarHBondContact N-O 3.24Å; L529-V599 HydrophobicContact CB-CB 3.89Å; L529-V599 HydrophobicContact CB-CG1 4.13Å; L529-V599 WeakPolarHBondContact CB-O 3.45Å; L529-V599 HydrophobicContact CD2-CB 4.03Å; L529-V599 HydrophobicContact CD2-CG1 4.12Å; L529-V599 HydrophobicContact CD2-CG2 4.47Å; L529-V599 PolarHBondContact N-O 3.43Å; L529-L663 HydrophobicContact CD2-CD1 3.94Å; L529-L663 HydrophobicContact CD2-CD2 3.79Å; L529-L663 HydrophobicContact CD2-CG 3.93Å; L529-V667 HydrophobicContact CD1-CG2 4.04Å; L529-V667 HydrophobicContact CD2-CG2 3.77Å; L529-V667 HydrophobicContact CG-CG2 4.2Å
530	Q	94.2	Very high	92.1	Very high	53 Å²	53	41 Å²	41	25%	0.248	23%	0.226	C	C	.	.	H	α-helix	trans	-55.1	-52.3	173.5	-171.8	-172.8	-7.7	0	0	110.7	T528 Y532 V533 E534 P596 Q597	T528-Q530 PolarHBondContact O-N 3.37Å; Q530-Y532 VanDerWaalsContact C-N 3.35Å; Q530-Y532 PolarHBondContact O-N 3.14Å; Q530-V533 PolarHBondContact O-N 3.39Å; Q530-E534 HydrophobicContact CG-CG 4.29Å; Q530-E534 WeakPolarHBondContact CG-OE1 3.24Å; Q530-E534 PolarHBondContact NE2-OE1 3.43Å; Q530-E534 PolarHBondContact NE2-OE2 3.04Å; Q530-E534 WeakPolarHBondContact O-CB 3.38Å; Q530-E534 WeakPolarHBondContact O-CG 3.35Å; Q530-E534 PolarHBondContact O-N 3.43Å; Q530-P596 HydrophobicContact CB-CB 3.87Å; Q530-P596 PolarHBondContact N-O 3.46Å; Q530-Q597 HydrophobicContact CB-CG 4.47Å; Q530-Q597 VanDerWaalsContact CD-NE2 3.32Å
531	H	93.1	Very high	91.8	Very high	86 Å²	86	46 Å²	46	40%	0.398	25%	0.25	S	C	.	.	H	α-helix	trans	-64.7	-40.1	-177.5	-169.4	55.6	0	0	0	111.8	C527 T528 L529 D535 L538	C527-H531 HydrophobicContact CB-CB 4.29Å; T528-H531 PolarHBondContact O-N 3.43Å; T528-H531 PolarHBondContact OG1-N 3.16Å; L529-H531 VanDerWaalsContact C-N 3.34Å; L529-H531 PolarHBondContact O-N 3.41Å; H531-D535 IonicContact CE1-OD2 3.06Å; H531-D535 WeakPolarHBondContact O-CB 3.38Å; H531-D535 PolarHBondContact O-N 3.45Å; H531-L538 WeakPolarHBondContact CD2-CD1 3.44Å; H531-L538 WeakPolarHBondContact NE2-CD1 3.44Å
532	Y	94.3	Very high	91.3	Very high	17 Å²	17	46.6 Å²	46.6	7%	0.067	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-44.1	173.6	171.9	-98.3	0	0	0	112.8	T528 L529 Q530 R539 I542 V544 L549 L601	T528-Y532 PolarHBondContact O-N 3.46Å; L529-Y532 HydrophobicContact CD1-CD1 4.12Å; L529-Y532 PolarHBondContact O-N 2.94Å; Q530-Y532 VanDerWaalsContact C-N 3.35Å; Q530-Y532 PolarHBondContact O-N 3.14Å; Y532-R539 HydrophobicContact CD1-CG 4.43Å; Y532-R539 HydrophobicContact CD2-CG 4.1Å; Y532-R539 HydrophobicContact CE1-CG 4.11Å; Y532-R539 HydrophobicContact CE2-CB 4.21Å; Y532-R539 HydrophobicContact CE2-CG 3.76Å; Y532-R539 HydrophobicContact CG-CG 4.42Å; Y532-R539 WeakPolarHBondContact O-CD 3.4Å; Y532-R539 WeakPolarHBondContact O-CG 3.34Å; Y532-I542 HydrophobicContact CD2-CB 4.27Å; Y532-I542 HydrophobicContact CD2-CG2 4.5Å; Y532-I542 HydrophobicContact CE2-CB 3.99Å; Y532-I542 HydrophobicContact CE2-CG2 4.18Å; Y532-I542 WeakPolarHBondContact CE2-O 3.33Å; Y532-V544 HydrophobicContact CE1-CG1 4.21Å; Y532-V544 HydrophobicContact CE2-CG1 4Å; Y532-V544 VanDerWaalsContact OH-CG1 3.31Å; Y532-V544 WeakPolarHBondContact OH-CG1 3.35Å; Y532-V544 PolarHBondContact OH-O 3.34Å; Y532-L549 HydrophobicContact CD1-CD1 4.25Å; Y532-L549 HydrophobicContact CE1-CD1 4.16Å; Y532-L601 HydrophobicContact CD1-CD1 4.09Å; Y532-L601 HydrophobicContact CD2-CD1 3.65Å; Y532-L601 HydrophobicContact CE2-CD1 4.33Å; Y532-L601 HydrophobicContact CG-CD1 3.5Å
533	V	92.8	Very high	90.8	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.03	28%	0.282	C	S	.	.	H	α-helix	trans	-70.7	-43	-178.4	170.7	0	0	0	0	111.5	L529 Q530 Y666 V667 T670	L529-V533 HydrophobicContact CD1-CG2 3.95Å; L529-V533 HydrophobicContact CG-CG2 4.3Å; L529-V533 WeakPolarHBondContact O-CG2 3.41Å; L529-V533 PolarHBondContact O-N 3.35Å; Q530-V533 PolarHBondContact O-N 3.39Å; V533-Y666 HydrophobicContact CB-CD1 4.39Å; V533-Y666 HydrophobicContact CB-CE1 3.59Å; V533-Y666 HydrophobicContact CG1-CD1 4.16Å; V533-Y666 HydrophobicContact CG1-CE1 3.56Å; V533-Y666 HydrophobicContact CG2-CD1 4.17Å; V533-Y666 HydrophobicContact CG2-CE1 3.75Å; V533-V667 HydrophobicContact CG2-CG2 4.3Å; V533-T670 VanDerWaalsContact CG1-C 3.42Å; V533-T670 HydrophobicContact CG1-CG2 4.3Å
534	E	91.1	Very high	90.5	Very high	112 Å²	112	49.9 Å²	49.9	52%	0.523	28%	0.279	S	S	.	.	H	α-helix	trans	-76.6	-22.2	-175.8	-68.2	175.7	178.7	0	0	113.7	Q530 Y666	Q530-E534 HydrophobicContact CG-CG 4.29Å; Q530-E534 WeakPolarHBondContact CG-OE1 3.24Å; Q530-E534 PolarHBondContact NE2-OE1 3.43Å; Q530-E534 PolarHBondContact NE2-OE2 3.04Å; Q530-E534 WeakPolarHBondContact O-CB 3.38Å; Q530-E534 WeakPolarHBondContact O-CG 3.35Å; Q530-E534 PolarHBondContact O-N 3.43Å; E534-Y666 WeakPolarHBondContact CG-OH 3.33Å; E534-Y666 PolarHBondContact OE1-OH 3.34Å
535	D	90.8	Very high	90.3	Very high	39 Å²	39	56.2 Å²	56.2	21%	0.209	31%	0.306	C	S	.	.			trans	-105.1	107.3	-177.6	-166.8	-42.2	0	0	0	111.5	H531 D537 L538 R539	H531-D535 IonicContact CE1-OD2 3.06Å; H531-D535 WeakPolarHBondContact O-CB 3.38Å; H531-D535 PolarHBondContact O-N 3.45Å; D535-D537 VanDerWaalsContact C-N 3.3Å; D535-D537 PolarHBondContact O-N 3.29Å; D535-D537 WeakPolarHBondContact OD1-CA 3.24Å; D535-D537 WeakPolarHBondContact OD1-CB 3.33Å; D535-D537 PolarHBondContact OD1-N 2.92Å; D535-L538 HydrophobicContact CB-CB 4.08Å; D535-L538 HydrophobicContact CB-CD1 4.01Å; D535-L538 HydrophobicContact CB-CG 4.13Å; D535-L538 PolarHBondContact O-N 3.09Å; D535-L538 PolarHBondContact OD1-N 3.41Å; D535-L538 VanDerWaalsContact OD1-N 3.12Å; D535-R539 PolarHBondContact O-N 2.7Å
536	A	88.9	Confident	90.2	Very high	56 Å²	56	57.9 Å²	57.9	46%	0.463	32%	0.316	S	S	.	.	H	α-helix	trans	-64.3	-32.1	179.4	0	0	0	0	0	113.4	R539 G540	A536-R539 PolarHBondContact O-N 3.28Å; A536-G540 PolarHBondContact O-N 2.79Å
537	D	89	Confident	90.3	Very high	66 Å²	66	56.3 Å²	56.3	35%	0.353	31%	0.308	S	S	.	.	H	α-helix	trans	-71	-38.4	-179.3	-63.4	-35.6	0	0	0	110.2	F421 D535 G540 Q541	F421-D537 HydrophobicContact CD2-CB 4.28Å; F421-D537 VanDerWaalsContact CD2-OD2 3.26Å; F421-D537 WeakPolarHBondContact CD2-OD2 3.21Å; F421-D537 HydrophobicContact CE2-CB 4.43Å; D535-D537 VanDerWaalsContact C-N 3.3Å; D535-D537 PolarHBondContact O-N 3.29Å; D535-D537 WeakPolarHBondContact OD1-CA 3.24Å; D535-D537 WeakPolarHBondContact OD1-CB 3.33Å; D535-D537 PolarHBondContact OD1-N 2.92Å; D537-G540 PolarHBondContact O-N 3.47Å; D537-Q541 WeakPolarHBondContact O-CG 3.4Å; D537-Q541 PolarHBondContact O-N 3.35Å; D537-Q541 VanDerWaalsContact O-N 3.09Å
538	L	87.3	Confident	90.3	Very high	6 Å²	6	58 Å²	58	3%	0.031	32%	0.315	C	S	.	.	H	α-helix	trans	-65.5	-36.6	173.6	-76.2	-178.5	0	0	0	113.1	H531 D535 G540 Q541 I542	H531-L538 WeakPolarHBondContact CD2-CD1 3.44Å; H531-L538 WeakPolarHBondContact NE2-CD1 3.44Å; D535-L538 HydrophobicContact CB-CB 4.08Å; D535-L538 HydrophobicContact CB-CD1 4.01Å; D535-L538 HydrophobicContact CB-CG 4.13Å; D535-L538 PolarHBondContact O-N 3.09Å; D535-L538 PolarHBondContact OD1-N 3.41Å; D535-L538 VanDerWaalsContact OD1-N 3.12Å; L538-G540 PolarHBondContact O-N 3.06Å; L538-Q541 PolarHBondContact O-N 2.98Å; L538-Q541 VanDerWaalsContact O-N 3.14Å; L538-I542 PolarHBondContact O-N 3.36Å
539	R	88.4	Confident	90.3	Very high	96 Å²	96	56 Å²	56	36%	0.362	30%	0.303	S	S	.	.	H	α-helix	trans	-63.7	-32.2	172.9	-65.1	-170.1	-70.6	137.8	0.9	112.5	Y532 D535 A536	Y532-R539 HydrophobicContact CD1-CG 4.43Å; Y532-R539 HydrophobicContact CD2-CG 4.1Å; Y532-R539 HydrophobicContact CE1-CG 4.11Å; Y532-R539 HydrophobicContact CE2-CB 4.21Å; Y532-R539 HydrophobicContact CE2-CG 3.76Å; Y532-R539 HydrophobicContact CG-CG 4.42Å; Y532-R539 WeakPolarHBondContact O-CD 3.4Å; Y532-R539 WeakPolarHBondContact O-CG 3.34Å; D535-R539 PolarHBondContact O-N 2.7Å; A536-R539 PolarHBondContact O-N 3.28Å
540	G	85.7	Confident	90.4	Very high	67 Å²	67	56 Å²	56	69%	0.691	30%	0.303	S	S	*	.	H	α-helix	trans	-69.1	-33.2	172.4	0	0	0	0	0	113.4	A536 D537 L538	A536-G540 PolarHBondContact O-N 2.79Å; D537-G540 PolarHBondContact O-N 3.47Å; L538-G540 PolarHBondContact O-N 3.06Å
541	Q	85.4	Confident	90.5	Very high	104 Å²	104	57 Å²	57	49%	0.486	31%	0.307	S	S	.	.	H	α-helix	trans	-82.3	-40.1	179.5	-68	170.6	39	0	0	112.9	D537 L538	D537-Q541 WeakPolarHBondContact O-CG 3.4Å; D537-Q541 PolarHBondContact O-N 3.35Å; D537-Q541 VanDerWaalsContact O-N 3.09Å; L538-Q541 PolarHBondContact O-N 2.98Å; L538-Q541 VanDerWaalsContact O-N 3.14Å
542	I	85	Confident	90.6	Very high	13 Å²	13	53.1 Å²	53.1	7%	0.067	29%	0.289	C	S	.	.	S	Bend	trans	-103.2	90.1	-178.3	-56.2	176.5	0	0	0	108.1	Q526 Y532 L538 V544 P610	Q526-I542 HydrophobicContact CG-CD1 4.09Å; Y532-I542 HydrophobicContact CD2-CB 4.27Å; Y532-I542 HydrophobicContact CD2-CG2 4.5Å; Y532-I542 HydrophobicContact CE2-CB 3.99Å; Y532-I542 HydrophobicContact CE2-CG2 4.18Å; Y532-I542 WeakPolarHBondContact CE2-O 3.33Å; L538-I542 PolarHBondContact O-N 3.36Å; I542-V544 HydrophobicContact CG2-CG1 4.27Å; I542-V544 PolarHBondContact O-N 2.86Å; I542-V544 VanDerWaalsContact O-N 3.08Å; I542-P610 HydrophobicContact CG2-CB 3.89Å; I542-P610 HydrophobicContact CG2-CG 3.49Å; I542-P610 VanDerWaalsContact CG2-CG 3.49Å
543	S	84.7	Confident	90.7	Very high	102 Å²	102	52.3 Å²	52.3	71%	0.713	29%	0.286	S	S	*	.			trans	-75.5	98.3	177.2	-170.1	0	0	0	0	110.5
544	V	87.1	Confident	90.8	Very high	10 Å²	10	52.1 Å²	52.1	6%	0.061	29%	0.285	C	S	.	.			trans	-135.7	134.5	173	60.9	0	0	0	0	109.7	Y532 I542 M548 L549 P610	Y532-V544 HydrophobicContact CE1-CG1 4.21Å; Y532-V544 HydrophobicContact CE2-CG1 4Å; Y532-V544 VanDerWaalsContact OH-CG1 3.31Å; Y532-V544 WeakPolarHBondContact OH-CG1 3.35Å; Y532-V544 PolarHBondContact OH-O 3.34Å; I542-V544 HydrophobicContact CG2-CG1 4.27Å; I542-V544 PolarHBondContact O-N 2.86Å; I542-V544 VanDerWaalsContact O-N 3.08Å; V544-M548 HydrophobicContact CG2-CB 4.38Å; V544-M548 HydrophobicContact CG2-CG 4.47Å; V544-M548 HydrophobicContact CG2-SD 4.41Å; V544-L549 HydrophobicContact CG1-CD1 4.31Å; V544-L549 HydrophobicContact CG2-CB 4.48Å; V544-P610 HydrophobicContact CB-CB 4.18Å; V544-P610 HydrophobicContact CB-CG 4.08Å; V544-P610 HydrophobicContact CG2-CB 4.46Å
545	K	90.5	Very high	91	Very high	163 Å²	163	49.6 Å²	49.6	71%	0.709	28%	0.275	S	S	*	.			trans	-71.3	132.9	176.2	-67.4	-176.4	179.9	180	0	109.2	K547 M548 L549	K545-K547 PolarHBondContact O-N 3.01Å; K545-K547 VanDerWaalsContact O-N 3.15Å; K545-M548 HydrophobicContact CB-CB 4.35Å; K545-M548 WeakPolarHBondContact O-CB 3.19Å; K545-M548 PolarHBondContact O-N 3.15Å; K545-L549 PolarHBondContact O-N 3.42Å
546	P	92.4	Very high	91	Very high	60 Å²	60	47.7 Å²	47.7	39%	0.39	27%	0.265	S	S	.	.	H	α-helix	trans	-49	-44.6	178.1	-31.9	36.7	0	0	0	113.6	M548 L549 L550 V667 L668	P546-M548 VanDerWaalsContact C-N 3.32Å; P546-M548 PolarHBondContact O-N 2.92Å; P546-L549 WeakPolarHBondContact O-CB 3.43Å; P546-L549 PolarHBondContact O-N 3.28Å; P546-L549 VanDerWaalsContact O-N 3.14Å; P546-L550 WeakPolarHBondContact O-CG 3.23Å; P546-L550 PolarHBondContact O-N 3.49Å; P546-V667 HydrophobicContact CB-CG1 3.93Å; P546-L668 HydrophobicContact CB-CD2 4.04Å
547	K	93	Very high	91.2	Very high	70 Å²	70	45 Å²	45	30%	0.304	24%	0.243	S	C	.	.	H	α-helix	trans	-56.7	-41.1	176.5	179.6	173.5	165.2	161.7	0	113.3	K545 L550 E551 F727 F728 W729	K545-K547 PolarHBondContact O-N 3.01Å; K545-K547 VanDerWaalsContact O-N 3.15Å; K547-L550 PolarHBondContact O-N 3.33Å; K547-E551 WeakPolarHBondContact O-CB 3.39Å; K547-E551 PolarHBondContact O-N 2.7Å; K547-F727 WeakPolarHBondContact CE-O 3.47Å; K547-F727 HydrophobicContact CG-CE1 4.43Å; K547-F727 PolarHBondContact NZ-O 3.43Å; K547-F728 WeakPolarHBondContact CE-O 3.07Å; K547-F728 HydrophobicContact CG-CD1 4.16Å; K547-F728 HydrophobicContact CG-CE1 4.26Å; K547-F728 PolarHBondContact NZ-O 3.34Å; K547-W729 PolarHBondContact NZ-O 3.24Å
548	M	93.1	Very high	91.2	Very high	51 Å²	51	42.6 Å²	42.6	25%	0.251	23%	0.232	S	C	.	.	H	α-helix	trans	-67.3	-38.5	178.5	-179.3	175.1	177.7	0	0	111.4	V544 K545 P546 E551 Q552 Q609	V544-M548 HydrophobicContact CG2-CB 4.38Å; V544-M548 HydrophobicContact CG2-CG 4.47Å; V544-M548 HydrophobicContact CG2-SD 4.41Å; K545-M548 HydrophobicContact CB-CB 4.35Å; K545-M548 WeakPolarHBondContact O-CB 3.19Å; K545-M548 PolarHBondContact O-N 3.15Å; P546-M548 VanDerWaalsContact C-N 3.32Å; P546-M548 PolarHBondContact O-N 2.92Å; M548-E551 PolarHBondContact O-N 2.79Å; M548-Q552 VanDerWaalsContact CE-NE2 3.26Å; M548-Q552 WeakPolarHBondContact O-CB 3.45Å; M548-Q552 WeakPolarHBondContact O-CG 3.45Å; M548-Q552 PolarHBondContact O-N 2.69Å; M548-Q609 HydrophobicContact CE-CB 3.64Å; M548-Q609 HydrophobicContact CE-CG 4.14Å
549	L	94.3	Very high	91.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-44.8	176.3	-170.4	151.5	0	0	0	111.4	L529 Y532 V544 K545 P546 Q552 T553 L601 A612 V667	L529-L549 HydrophobicContact CD1-CD1 3.44Å; L529-L549 VanDerWaalsContact CD1-CD1 3.44Å; L529-L549 HydrophobicContact CD1-CD2 3.48Å; L529-L549 VanDerWaalsContact CD1-CD2 3.48Å; L529-L549 HydrophobicContact CD1-CG 4.06Å; L529-L549 HydrophobicContact CD2-CD2 3.81Å; L529-L549 HydrophobicContact CG-CD2 4.29Å; Y532-L549 HydrophobicContact CD1-CD1 4.25Å; Y532-L549 HydrophobicContact CE1-CD1 4.16Å; V544-L549 HydrophobicContact CG1-CD1 4.31Å; V544-L549 HydrophobicContact CG2-CB 4.48Å; K545-L549 PolarHBondContact O-N 3.42Å; P546-L549 WeakPolarHBondContact O-CB 3.43Å; P546-L549 PolarHBondContact O-N 3.28Å; P546-L549 VanDerWaalsContact O-N 3.14Å; L549-Q552 PolarHBondContact O-N 2.78Å; L549-T553 WeakPolarHBondContact O-CB 3.37Å; L549-T553 PolarHBondContact O-N 3.45Å; L549-T553 PolarHBondContact O-OG1 3.42Å; L549-L601 HydrophobicContact CD1-CD1 4.39Å; L549-L601 HydrophobicContact CD1-CD2 3.89Å; L549-L601 HydrophobicContact CG-CD2 4.41Å; L549-A612 HydrophobicContact CG-CB 4.2Å; L549-V667 HydrophobicContact CD2-CG1 4.47Å; L549-V667 HydrophobicContact CD2-CG2 4.16Å
550	L	96.5	Very high	91.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.4	-41.6	177.9	-63.7	178.8	0	0	0	111.9	P546 K547 T553 T554 L663 Y664 V667 L668 F727 F728	P546-L550 WeakPolarHBondContact O-CG 3.23Å; P546-L550 PolarHBondContact O-N 3.49Å; K547-L550 PolarHBondContact O-N 3.33Å; L550-T553 PolarHBondContact O-N 2.81Å; L550-T554 WeakPolarHBondContact O-CB 3.49Å; L550-T554 PolarHBondContact O-N 3.22Å; L550-T554 PolarHBondContact O-OG1 3.06Å; L550-L663 HydrophobicContact CD2-CD2 3.71Å; L550-Y664 HydrophobicContact CB-CD2 4.26Å; L550-Y664 HydrophobicContact CB-CE1 4.24Å; L550-Y664 HydrophobicContact CB-CE2 3.92Å; L550-Y664 HydrophobicContact CD1-CD1 3.86Å; L550-Y664 HydrophobicContact CD1-CD2 4.23Å; L550-Y664 HydrophobicContact CD1-CE1 4.29Å; L550-Y664 HydrophobicContact CD1-CG 3.84Å; L550-Y664 HydrophobicContact CD2-CD2 3.58Å; L550-Y664 HydrophobicContact CD2-CE2 4Å; L550-Y664 HydrophobicContact CD2-CG 3.99Å; L550-Y664 HydrophobicContact CG-CD2 4.21Å; L550-Y664 HydrophobicContact CG-CE2 4.38Å; L550-Y664 HydrophobicContact CG-CG 4.33Å; L550-V667 HydrophobicContact CD1-CG1 4.43Å; L550-V667 HydrophobicContact CD2-CB 3.91Å; L550-V667 HydrophobicContact CD2-CG1 4.1Å; L550-V667 HydrophobicContact CD2-CG2 3.94Å; L550-V667 HydrophobicContact CG-CB 4.46Å; L550-V667 HydrophobicContact CG-CG1 4.19Å; L550-L668 HydrophobicContact CD1-CD1 4.34Å; L550-L668 HydrophobicContact CD1-CD2 4.01Å; L550-L668 HydrophobicContact CD1-CG 4Å; L550-F727 HydrophobicContact CD1-CE1 4.19Å; L550-F727 HydrophobicContact CD1-CZ 4.13Å; L550-F728 HydrophobicContact CB-CZ 4.4Å
551	E	96.2	Very high	91	Very high	73 Å²	73	38.6 Å²	38.6	34%	0.341	20%	0.199	S	C	.	.	H	α-helix	trans	-58.5	-50.9	174.7	-172.8	177.2	-175.2	0	0	111	K547 M548 T553 T554 L555 F728	K547-E551 WeakPolarHBondContact O-CB 3.39Å; K547-E551 PolarHBondContact O-N 2.7Å; M548-E551 PolarHBondContact O-N 2.79Å; E551-T553 PolarHBondContact O-N 3.34Å; E551-T554 PolarHBondContact O-N 3.46Å; E551-T554 VanDerWaalsContact O-N 3.17Å; E551-L555 HydrophobicContact CG-CD1 4.15Å; E551-L555 WeakPolarHBondContact O-CG 3.44Å; E551-L555 PolarHBondContact O-N 3.2Å; E551-F728 HydrophobicContact CB-CD1 3.84Å; E551-F728 HydrophobicContact CB-CE1 3.52Å; E551-F728 HydrophobicContact CB-CZ 4.37Å; E551-F728 HydrophobicContact CG-CD1 4.05Å; E551-F728 HydrophobicContact CG-CE1 4.17Å
552	Q	95.8	Very high	90.7	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.028	21%	0.206	C	C	.	.	H	α-helix	trans	-59.5	-44.4	178.3	-76.6	-177	-1	0	0	112.7	N504 M548 L549 T554 L555 G556 P610 A612	N504-Q552 WeakPolarHBondContact CB-O 3.49Å; N504-Q552 WeakPolarHBondContact ND2-CB 3.33Å; N504-Q552 PolarHBondContact OD1-O 3.29Å; M548-Q552 VanDerWaalsContact CE-NE2 3.26Å; M548-Q552 WeakPolarHBondContact O-CB 3.45Å; M548-Q552 WeakPolarHBondContact O-CG 3.45Å; M548-Q552 PolarHBondContact O-N 2.69Å; L549-Q552 PolarHBondContact O-N 2.78Å; Q552-T554 VanDerWaalsContact C-N 3.31Å; Q552-T554 PolarHBondContact O-N 2.92Å; Q552-L555 PolarHBondContact O-N 3.05Å; Q552-G556 PolarHBondContact O-N 3.36Å; Q552-P610 PolarHBondContact NE2-O 2.88Å; Q552-P610 PolarHBondContact OE1-O 3.16Å; Q552-A612 HydrophobicContact CB-CB 3.97Å
553	T	96.3	Very high	89.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-42.6	176.4	-54.1	0	0	0	0	110.5	L549 L550 E551 G556 L557 V599 I614 L660	L549-T553 WeakPolarHBondContact O-CB 3.37Å; L549-T553 PolarHBondContact O-N 3.45Å; L549-T553 PolarHBondContact O-OG1 3.42Å; L550-T553 PolarHBondContact O-N 2.81Å; E551-T553 PolarHBondContact O-N 3.34Å; T553-G556 PolarHBondContact O-N 3Å; T553-L557 PolarHBondContact O-N 2.86Å; T553-V599 HydrophobicContact CG2-CG1 4.45Å; T553-V599 HydrophobicContact CG2-CG2 3.9Å; T553-I614 HydrophobicContact CG2-CD1 4.45Å; T553-I614 HydrophobicContact CG2-CG1 4.36Å; T553-I614 WeakPolarHBondContact O-CD1 3.29Å; T553-L660 HydrophobicContact CG2-CD1 3.8Å
554	T	96	Very high	88.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-69.6	-37.6	-178.4	-48.7	0	0	0	0	112.1	L550 E551 Q552 G556 L557 A558 L660 Y664 A719 A722 I723	L550-T554 WeakPolarHBondContact O-CB 3.49Å; L550-T554 PolarHBondContact O-N 3.22Å; L550-T554 PolarHBondContact O-OG1 3.06Å; E551-T554 PolarHBondContact O-N 3.46Å; E551-T554 VanDerWaalsContact O-N 3.17Å; Q552-T554 VanDerWaalsContact C-N 3.31Å; Q552-T554 PolarHBondContact O-N 2.92Å; T554-G556 VanDerWaalsContact C-N 3.34Å; T554-L557 PolarHBondContact O-N 3.39Å; T554-A558 WeakPolarHBondContact O-CB 3.39Å; T554-A558 PolarHBondContact O-N 3.01Å; T554-L660 HydrophobicContact CG2-CD2 3.87Å; T554-Y664 PolarHBondContact OG1-OH 2.63Å; T554-A719 HydrophobicContact CG2-CB 4.36Å; T554-A722 HydrophobicContact CG2-CB 4.37Å; T554-I723 HydrophobicContact CG2-CD1 3.84Å; T554-I723 HydrophobicContact CG2-CG1 3.47Å; T554-I723 VanDerWaalsContact CG2-CG1 3.47Å
555	L	94.3	Very high	86.1	Confident	59 Å²	59	49 Å²	49	31%	0.309	24%	0.236	S	C	.	.	H	α-helix	trans	-61	-43	172.2	-73.9	165	0	0	0	111.4	H502 E551 Q552 A558 H559 I723	H502-L555 PolarHBondContact CE1-O 2.8Å; E551-L555 HydrophobicContact CG-CD1 4.15Å; E551-L555 WeakPolarHBondContact O-CG 3.44Å; E551-L555 PolarHBondContact O-N 3.2Å; Q552-L555 PolarHBondContact O-N 3.05Å; L555-A558 PolarHBondContact O-N 3.09Å; L555-H559 WeakPolarHBondContact O-CB 3.36Å; L555-H559 PolarHBondContact O-N 2.87Å; L555-I723 HydrophobicContact CD2-CD1 3.7Å; L555-I723 HydrophobicContact CG-CD1 3.97Å
556	G	92.1	Very high	83.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-45.8	173.7	0	0	0	0	0	112.2	Q552 T553 T554 H559 L560	Q552-G556 PolarHBondContact O-N 3.36Å; T553-G556 PolarHBondContact O-N 3Å; T554-G556 VanDerWaalsContact C-N 3.34Å; G556-H559 WeakPolarHBondContact O-CB 3.15Å; G556-H559 PolarHBondContact O-N 2.87Å; G556-L560 WeakPolarHBondContact O-CG 3.11Å; G556-L560 PolarHBondContact O-N 3.37Å; G556-L560 VanDerWaalsContact O-N 3.1Å
557	L	92	Very high	80.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.7	-43.6	-179.7	-172.1	65.9	0	0	0	111.8	T553 T554 H559 L560 H561 H591 L594 I614 D656 I657 L660	T553-L557 PolarHBondContact O-N 2.86Å; T554-L557 PolarHBondContact O-N 3.39Å; L557-H559 VanDerWaalsContact C-N 3.25Å; L557-H559 PolarHBondContact O-N 2.67Å; L557-L560 PolarHBondContact O-N 3.22Å; L557-L560 VanDerWaalsContact O-N 3.11Å; L557-H561 PolarHBondContact O-N 3.36Å; L557-H591 HydrophobicContact CD1-CB 4.13Å; L557-L594 HydrophobicContact CD1-CD2 4.46Å; L557-L594 HydrophobicContact CD2-CD2 4.05Å; L557-I614 HydrophobicContact CB-CD1 3.83Å; L557-I614 HydrophobicContact CD1-CD1 4.43Å; L557-I614 VanDerWaalsContact N-CD1 3.27Å; L557-D656 HydrophobicContact CD1-CB 3.99Å; L557-D656 HydrophobicContact CD2-CB 4.02Å; L557-I657 HydrophobicContact CD2-CD1 4.19Å; L557-L660 HydrophobicContact CD2-CB 4.23Å; L557-L660 HydrophobicContact CD2-CD2 3.82Å; L557-L660 HydrophobicContact CD2-CG 4.45Å
558	A	89.9	Confident	77.6	Confident	15 Å²	15	52.2 Å²	52.2	12%	0.124	27%	0.266	C	S	.	.	H	α-helix	trans	-58.9	-38.6	175.5	0	0	0	0	0	111.7	T554 L555 H561 K562 A719 V720 I723	T554-A558 WeakPolarHBondContact O-CB 3.39Å; T554-A558 PolarHBondContact O-N 3.01Å; L555-A558 PolarHBondContact O-N 3.09Å; A558-H561 PolarHBondContact O-N 2.77Å; A558-K562 WeakPolarHBondContact O-CB 3.43Å; A558-K562 PolarHBondContact O-N 3.03Å; A558-K562 VanDerWaalsContact O-N 3.1Å; A558-A719 HydrophobicContact CB-CB 3.77Å; A558-V720 HydrophobicContact CB-CG2 4.31Å; A558-I723 HydrophobicContact CB-CD1 4.29Å
559	H	87.1	Confident	75.1	Confident	36 Å²	36	52.6 Å²	52.6	17%	0.167	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-48.7	173	-179.6	74.4	0	0	0	111.5	S499 H502 L555 G556 L557 H561 K562 L563	S499-H559 PolarHBondContact O-NE2 3.37Å; H502-H559 HydrophobicContact CB-CB 4.16Å; H502-H559 WeakPolarHBondContact CB-CD2 3.28Å; H502-H559 AromaticContact CD2-CG 3.81Å; H502-H559 AromaticContact CD2-ND1 3.94Å; H502-H559 AromaticContact CG-CD2 3.94Å; H502-H559 AromaticContact CG-CG 3.65Å; L555-H559 WeakPolarHBondContact O-CB 3.36Å; L555-H559 PolarHBondContact O-N 2.87Å; G556-H559 WeakPolarHBondContact O-CB 3.15Å; G556-H559 PolarHBondContact O-N 2.87Å; L557-H559 VanDerWaalsContact C-N 3.25Å; L557-H559 PolarHBondContact O-N 2.67Å; H559-H561 VanDerWaalsContact C-N 3.34Å; H559-H561 PolarHBondContact O-N 2.88Å; H559-K562 WeakPolarHBondContact O-CB 3.21Å; H559-K562 PolarHBondContact O-N 2.97Å; H559-K562 VanDerWaalsContact O-N 3.08Å; H559-L563 WeakPolarHBondContact O-CG 3.09Å; H559-L563 PolarHBondContact O-N 3.46Å
560	L	85	Confident	72.7	Confident	9 Å²	9	55.3 Å²	55.3	5%	0.047	29%	0.288	C	S	.	.	H	α-helix	trans	-59	-43.8	177.8	-67.1	178	0	0	0	112.2	V505 G556 L557 K562 L563 I614 F617	V505-L560 HydrophobicContact CG1-CD2 4.41Å; V505-L560 HydrophobicContact CG2-CD2 4.17Å; V505-L560 HydrophobicContact CG2-CG 4.27Å; G556-L560 WeakPolarHBondContact O-CG 3.11Å; G556-L560 PolarHBondContact O-N 3.37Å; G556-L560 VanDerWaalsContact O-N 3.1Å; L557-L560 PolarHBondContact O-N 3.22Å; L557-L560 VanDerWaalsContact O-N 3.11Å; L560-K562 PolarHBondContact O-N 3.24Å; L560-L563 HydrophobicContact CD2-CD1 4.33Å; L560-L563 PolarHBondContact O-N 3.47Å; L560-I614 HydrophobicContact CD1-CD1 4.4Å; L560-I614 HydrophobicContact CD1-CG2 3.87Å; L560-F617 HydrophobicContact CD1-CD1 4.28Å; L560-F617 HydrophobicContact CD1-CG 4.34Å; L560-F617 HydrophobicContact CD2-CD2 4.48Å; L560-F617 HydrophobicContact CD2-CE2 4.29Å; L560-F617 HydrophobicContact CD2-CZ 4.31Å
561	H	83.4	Confident	70.3	Confident	40 Å²	40	56 Å²	56	19%	0.185	29%	0.292	C	S	.	.	H	α-helix	trans	-63.1	-27.6	176.7	-68.7	177.3	0	0	0	112.9	L557 A558 H559 C653 D656	L557-H561 PolarHBondContact O-N 3.36Å; A558-H561 PolarHBondContact O-N 2.77Å; H559-H561 VanDerWaalsContact C-N 3.34Å; H559-H561 PolarHBondContact O-N 2.88Å; H561-C653 PolarHBondContact CE1-O 2.84Å; H561-C653 VanDerWaalsContact CE1-O 3.31Å; H561-D656 IonicContact CD2-OD2 2.8Å; H561-D656 IonicContact CE1-OD2 3.5Å; H561-D656 IonicContact NE2-OD2 2.71Å; H561-D656 PolarHBondContact NE2-OD2 3Å
562	K	79.4	Confident	67.7	Low	145 Å²	145	54.1 Å²	54.1	63%	0.63	29%	0.286	S	S	*	.	H	α-helix	trans	-78.5	-21.5	178.1	-171.8	175.5	179.1	178.8	0	113.8	A558 H559 L560 K564	A558-K562 WeakPolarHBondContact O-CB 3.43Å; A558-K562 PolarHBondContact O-N 3.03Å; A558-K562 VanDerWaalsContact O-N 3.1Å; H559-K562 WeakPolarHBondContact O-CB 3.21Å; H559-K562 PolarHBondContact O-N 2.97Å; H559-K562 VanDerWaalsContact O-N 3.08Å; L560-K562 PolarHBondContact O-N 3.24Å; K562-K564 PolarHBondContact O-N 2.92Å
563	L	67.6	Low	65.1	Low	41 Å²	41	56 Å²	56	22%	0.215	30%	0.296	C	S	.	.	S	Bend	trans	-72.8	23.7	-168.9	-74	172.1	0	0	0	116.4	E498 H559 L560 K589	E498-L563 WeakPolarHBondContact O-CD1 3.29Å; E498-L563 WeakPolarHBondContact O-CD2 3.39Å; H559-L563 WeakPolarHBondContact O-CG 3.09Å; H559-L563 PolarHBondContact O-N 3.46Å; L560-L563 HydrophobicContact CD2-CD1 4.33Å; L560-L563 PolarHBondContact O-N 3.47Å; L563-K589 HydrophobicContact CB-CD 3.93Å; L563-K589 WeakPolarHBondContact O-CE 3.38Å; L563-K589 PolarHBondContact O-NZ 3.46Å
564	K	51.6	Low	62.6	Low	108 Å²	108	58.9 Å²	58.9	47%	0.47	31%	0.308	S	S	.	.			trans	-136.3	99.8	154.4	-100.3	-169.8	-179.8	171.9	0	110.2	K562 D587	K562-K564 PolarHBondContact O-N 2.92Å; K564-D587 VanDerWaalsContact CD-O 3.28Å; K564-D587 WeakPolarHBondContact CD-O 3.2Å; K564-D587 PolarHBondContact NZ-O 2.87Å; K564-D587 IonicContact NZ-OD1 2.75Å; K564-D587 IonicContact NZ-OD2 3.59Å; K564-D587 PolarHBondContact NZ-OD2 3.43Å
565	I	42.2	Very low	59.9	Low	152 Å²	152	64.9 Å²	64.9	78%	0.779	34%	0.335	S	S	*	.			trans	-90.2	109.9	174.1	-67.9	166.2	0	0	0	106.9
566	G	31	Very low	57.4	Low	69 Å²	69	67.2 Å²	67.2	71%	0.711	35%	0.347	S	S	*	.	S	Bend	trans	-157.7	62.8	164.6	0	0	0	0	0	104.9	F568	G566-F568 PolarHBondContact O-N 3.03Å
567	E	29.9	Very low	54.9	Low	181 Å²	181	72 Å²	72	85%	0.846	37%	0.372	S	S	*	.	S	Bend	trans	63.8	-30.7	174.2	-78.6	175.9	152.3	0	0	122.3
568	F	35.1	Very low	52.4	Low	112 Å²	112	81.4 Å²	81.4	49%	0.491	42%	0.416	S	S	.	.			trans	-149.4	126.2	178.2	-87.6	-86.9	0	0	0	112.9	G566 L570 L573	G566-F568 PolarHBondContact O-N 3.03Å; F568-L570 VanDerWaalsContact C-N 3.29Å; F568-L570 PolarHBondContact O-N 2.87Å; F568-L573 HydrophobicContact CD1-CD1 3.22Å; F568-L573 HydrophobicContact CD1-CG 4.47Å; F568-L573 HydrophobicContact CD2-CD1 4.21Å; F568-L573 HydrophobicContact CE1-CD1 3.16Å; F568-L573 HydrophobicContact CE2-CD1 4.18Å; F568-L573 HydrophobicContact CG-CD1 3.78Å; F568-L573 HydrophobicContact CZ-CD1 3.68Å
569	C	40.4	Very low	50	Low	59 Å²	59	85.2 Å²	85.2	40%	0.399	43%	0.433	S	S	.	.			trans	-65.9	101.3	148.7	-172.6	0	0	0	0	105.1	C571 T572	C569-C571 PolarHBondContact O-N 2.82Å; C569-T572 PolarHBondContact O-N 3.31Å; C569-T572 PolarHBondContact O-OG1 3.22Å
570	L	44.7	Very low	47.4	Very low	57 Å²	57	90.8 Å²	90.8	30%	0.298	46%	0.464	S	S	.	.	H	α-helix	trans	-58.9	-15.5	-176.1	-79.8	163.2	0	0	0	112.7	F568 T572 L573 F574 L584	F568-L570 VanDerWaalsContact C-N 3.29Å; F568-L570 PolarHBondContact O-N 2.87Å; L570-T572 PolarHBondContact O-N 2.81Å; L570-L573 HydrophobicContact CD2-CB 4.07Å; L570-L573 HydrophobicContact CD2-CD2 3.93Å; L570-L573 WeakPolarHBondContact O-CB 3.45Å; L570-L573 PolarHBondContact O-N 2.77Å; L570-F574 WeakPolarHBondContact O-CD2 3.36Å; L570-F574 PolarHBondContact O-N 3.41Å; L570-L584 HydrophobicContact CB-CD2 3.79Å; L570-L584 HydrophobicContact CD1-CD2 4.17Å
571	C	46.9	Very low	44.9	Very low	13 Å²	13	97.2 Å²	97.2	9%	0.088	50%	0.496	C	S	.	.	H	α-helix	trans	-59	-32.8	169.2	-54.2	0	0	0	0	112.8	C569 C653 L654	C569-C571 PolarHBondContact O-N 2.82Å; C571-C653 VanDerWaalsContact SG-SG 3.66Å; C571-L654 HydrophobicContact CB-CD1 4.42Å
572	T	40.8	Very low	42.7	Very low	34 Å²	34	100 Å²	100	21%	0.209	51%	0.511	C	S	.	.	H	α-helix	trans	-77	-22.7	173.3	-0.4	0	0	0	0	112.6	C569 L570 L860	C569-T572 PolarHBondContact O-N 3.31Å; C569-T572 PolarHBondContact O-OG1 3.22Å; L570-T572 PolarHBondContact O-N 2.81Å; T572-L860 HydrophobicContact CG2-CD2 3.68Å
573	L	40.4	Very low	40.7	Very low	46 Å²	46	99 Å²	99	24%	0.241	51%	0.511	C	S	.	.	H	α-helix	trans	-79.9	-22.5	177.3	-139	90.3	0	0	0	113	F568 L570 F575 L576 L577	F568-L573 HydrophobicContact CD1-CD1 3.22Å; F568-L573 HydrophobicContact CD1-CG 4.47Å; F568-L573 HydrophobicContact CD2-CD1 4.21Å; F568-L573 HydrophobicContact CE1-CD1 3.16Å; F568-L573 HydrophobicContact CE2-CD1 4.18Å; F568-L573 HydrophobicContact CG-CD1 3.78Å; F568-L573 HydrophobicContact CZ-CD1 3.68Å; L570-L573 HydrophobicContact CD2-CB 4.07Å; L570-L573 HydrophobicContact CD2-CD2 3.93Å; L570-L573 WeakPolarHBondContact O-CB 3.45Å; L570-L573 PolarHBondContact O-N 2.77Å; L573-F575 PolarHBondContact O-N 3.27Å; L573-L576 PolarHBondContact O-N 2.87Å; L573-L576 VanDerWaalsContact O-N 3.09Å; L573-L577 HydrophobicContact CD2-CD1 3.85Å; L573-L577 HydrophobicContact CG-CD1 4.41Å
574	F	44.7	Very low	39.3	Very low	60 Å²	60	99.2 Å²	99.2	26%	0.263	51%	0.512	S	S	.	.	H	α-helix	trans	-63.6	-23.7	177.8	-85.2	-78.8	0	0	0	113.4	L570 L576 I579	L570-F574 WeakPolarHBondContact O-CD2 3.36Å; L570-F574 PolarHBondContact O-N 3.41Å; F574-L576 PolarHBondContact O-N 3.43Å; F574-I579 VanDerWaalsContact CE1-O 3.24Å; F574-I579 WeakPolarHBondContact CE1-O 3.48Å
575	F	40	Very low	38.5	Very low	127 Å²	127	98.6 Å²	98.6	56%	0.557	52%	0.519	S	S	*	.	H	α-helix	trans	-71.1	-12.5	174.9	-102	-84	0	0	0	114.1	L573 L860	L573-F575 PolarHBondContact O-N 3.27Å; F575-L860 HydrophobicContact CB-CD1 4.02Å; F575-L860 HydrophobicContact CD1-CD1 4.3Å; F575-L860 HydrophobicContact CG-CD1 4.13Å
576	L	41.6	Very low	38.4	Very low	108 Å²	108	96.4 Å²	96.4	57%	0.565	52%	0.517	S	S	*	.	H	α-helix	trans	-111	-13.3	-171.9	-72.8	171.3	0	0	0	115.3	L573 F574	L573-L576 PolarHBondContact O-N 2.87Å; L573-L576 VanDerWaalsContact O-N 3.09Å; F574-L576 PolarHBondContact O-N 3.43Å
577	L	39.3	Very low	39.1	Very low	100 Å²	100	98.1 Å²	98.1	52%	0.524	51%	0.51	S	S	.	.	H	α-helix	trans	-130.9	-2	-164.6	-67.8	173.7	0	0	0	118.1	L573 I579	L573-L577 HydrophobicContact CD2-CD1 3.85Å; L573-L577 HydrophobicContact CG-CD1 4.41Å; L577-I579 HydrophobicContact CB-CD1 4.06Å; L577-I579 HydrophobicContact CB-CG1 3.89Å; L577-I579 HydrophobicContact CD1-CD1 4.44Å; L577-I579 WeakPolarHBondContact O-CG1 3.47Å; L577-I579 PolarHBondContact O-N 3.22Å
578	E	38.2	Very low	40	Very low	198 Å²	198	91.2 Å²	91.2	93%	0.925	48%	0.482	S	S	*	.			trans	49.5	24.9	-179	-68.5	-170.5	160	0	0	114.7
579	I	40	Very low	41.3	Very low	94 Å²	94	87.5 Å²	87.5	48%	0.482	47%	0.466	S	S	.	.			trans	-91.7	121.2	-178.2	-52.6	-176	0	0	0	109.4	F574 L577 M581	F574-I579 VanDerWaalsContact CE1-O 3.24Å; F574-I579 WeakPolarHBondContact CE1-O 3.48Å; L577-I579 HydrophobicContact CB-CD1 4.06Å; L577-I579 HydrophobicContact CB-CG1 3.89Å; L577-I579 HydrophobicContact CD1-CD1 4.44Å; L577-I579 WeakPolarHBondContact O-CG1 3.47Å; L577-I579 PolarHBondContact O-N 3.22Å; I579-M581 PolarHBondContact O-N 3.23Å
580	N	32.8	Very low	42.7	Very low	153 Å²	153	85 Å²	85	82%	0.818	45%	0.448	S	S	*	.			trans	-61.4	125.4	170.8	-78.6	-55.5	0	0	0	111.4
581	M	31.9	Very low	44.2	Very low	144 Å²	144	82.3 Å²	82.3	71%	0.709	43%	0.434	S	S	*	.			trans	53.5	71.3	146.9	-140.7	-174.2	87.8	0	0	116.7	I579	I579-M581 PolarHBondContact O-N 3.23Å
582	I	38.2	Very low	45.7	Very low	98 Å²	98	83.1 Å²	83.1	50%	0.503	44%	0.435	S	S	.	.			trans	-88.9	113.6	158.7	-61.4	177	0	0	0	108.1	L584	I582-L584 PolarHBondContact O-N 2.87Å
583	I	38	Very low	47.8	Very low	126 Å²	126	82.9 Å²	82.9	65%	0.646	43%	0.433	S	S	*	.			trans	-53	111	169.5	-63.1	170	0	0	0	107.4
584	L	36.5	Very low	50.2	Low	45 Å²	45	80.7 Å²	80.7	24%	0.236	42%	0.421	C	S	.	.			trans	-58.5	132.1	173.1	-69.5	173.5	0	0	0	108.2	L570 I582 S586 C652	L570-L584 HydrophobicContact CB-CD2 3.79Å; L570-L584 HydrophobicContact CD1-CD2 4.17Å; I582-L584 PolarHBondContact O-N 2.87Å; L584-S586 PolarHBondContact O-N 2.83Å; L584-C652 HydrophobicContact CD1-CB 3.55Å
585	P	35.6	Very low	52.4	Low	95 Å²	95	79.1 Å²	79.1	62%	0.617	41%	0.414	S	S	*	.			trans	-55.3	137.8	170.2	21.9	-30	0	0	0	108.5	D587	P585-D587 PolarHBondContact O-N 2.75Å
586	S	40.6	Very low	55	Low	105 Å²	105	73 Å²	73	73%	0.734	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	12.5	-166.2	-32.5	0	0	0	0	117.9	L584	L584-S586 PolarHBondContact O-N 2.83Å
587	D	44.9	Very low	57.4	Low	105 Å²	105	70.8 Å²	70.8	56%	0.561	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	2.1	-149.3	-112.6	21.6	0	0	0	112.8	K564 P585	K564-D587 VanDerWaalsContact CD-O 3.28Å; K564-D587 WeakPolarHBondContact CD-O 3.2Å; K564-D587 PolarHBondContact NZ-O 2.87Å; K564-D587 IonicContact NZ-OD1 2.75Å; K564-D587 IonicContact NZ-OD2 3.59Å; K564-D587 PolarHBondContact NZ-OD2 3.43Å; P585-D587 PolarHBondContact O-N 2.75Å
588	S	49.9	Very low	59.9	Low	37 Å²	37	66.4 Å²	66.4	26%	0.259	35%	0.351	S	S	.	.			trans	-67.2	126.7	172.4	61.9	0	0	0	0	111	M590	S588-M590 PolarHBondContact O-N 2.94Å
589	K	61.2	Low	62.6	Low	34 Å²	34	57 Å²	57	15%	0.148	31%	0.307	C	S	.	.			trans	-76.3	92.3	176.7	-65.8	178.4	-177.7	165.1	0	110	L495 E498 L563 L619	L495-K589 HydrophobicContact CD2-CD 3.77Å; L495-K589 HydrophobicContact CD2-CG 3.95Å; E498-K589 WeakPolarHBondContact OE2-CE 3.48Å; E498-K589 IonicContact OE2-NZ 3.03Å; E498-K589 PolarHBondContact OE2-NZ 2.95Å; L563-K589 HydrophobicContact CB-CD 3.93Å; L563-K589 WeakPolarHBondContact O-CE 3.38Å; L563-K589 PolarHBondContact O-NZ 3.46Å; K589-L619 HydrophobicContact CB-CD1 4.43Å; K589-L619 HydrophobicContact CG-CD1 4.1Å
590	M	70.7	Confident	65.2	Low	6 Å²	6	54 Å²	54	3%	0.03	29%	0.292	C	S	.	.			trans	-98	154	173.8	-60.8	-179.4	-78	0	0	109.8	S588 R592 L619 L623 V651 C652 D656	S588-M590 PolarHBondContact O-N 2.94Å; M590-R592 HydrophobicContact CB-CG 3.71Å; M590-L619 WeakPolarHBondContact O-CD2 3.31Å; M590-L623 HydrophobicContact CE-CD1 4.07Å; M590-V651 HydrophobicContact CE-CB 4.44Å; M590-V651 HydrophobicContact CE-CG1 3.99Å; M590-V651 HydrophobicContact SD-CG1 3.9Å; M590-C652 WeakPolarHBondContact SD-CA 3.38Å; M590-D656 WeakPolarHBondContact CA-OD2 3.46Å
591	H	76.8	Confident	68.2	Low	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.253	C	S	.	.			trans	-72.5	-45.5	172.6	-169.2	-68.2	0	0	0	111.5	L557 D593 L594 I614 S615 D656	L557-H591 HydrophobicContact CD1-CB 4.13Å; H591-D593 VanDerWaalsContact CE1-C 3.45Å; H591-D593 PolarHBondContact CE1-O 2.97Å; H591-D593 PolarHBondContact ND1-N 3.04Å; H591-D593 PolarHBondContact ND1-O 3.18Å; H591-D593 PolarHBondContact O-N 2.69Å; H591-L594 HydrophobicContact CB-CB 4.37Å; H591-L594 WeakPolarHBondContact ND1-CA 3.29Å; H591-L594 PolarHBondContact ND1-N 3Å; H591-I614 WeakPolarHBondContact CD2-CG2 3.25Å; H591-I614 VanDerWaalsContact NE2-CG2 3.32Å; H591-I614 WeakPolarHBondContact NE2-CG2 3.5Å; H591-S615 PolarHBondContact NE2-O 3.34Å; H591-D656 PolarHBondContact N-OD1 3.03Å; H591-D656 PolarHBondContact N-OD2 2.83Å
592	R	77.9	Confident	71.1	Confident	30 Å²	30	43.1 Å²	43.1	11%	0.113	23%	0.232	C	C	.	.	S	Bend	trans	65.2	-20.8	179.5	-53.3	-177.4	-176.6	163.4	3.9	117	M590 L619 D656	M590-R592 HydrophobicContact CB-CG 3.71Å; R592-L619 PolarHBondContact NH1-O 3.33Å; R592-D656 PolarHBondContact N-OD1 2.84Å
593	D	84.3	Confident	73.4	Confident	29 Å²	29	40.3 Å²	40.3	16%	0.155	22%	0.221	C	C	.	.			trans	-130	44.9	175.3	-163.5	36.8	0	0	0	112.7	H591 K595 N598 T637	H591-D593 VanDerWaalsContact CE1-C 3.45Å; H591-D593 PolarHBondContact CE1-O 2.97Å; H591-D593 PolarHBondContact ND1-N 3.04Å; H591-D593 PolarHBondContact ND1-O 3.18Å; H591-D593 PolarHBondContact O-N 2.69Å; D593-K595 PolarHBondContact O-N 3.31Å; D593-K595 IonicContact OD1-NZ 3.32Å; D593-K595 WeakPolarHBondContact OD2-CE 3.47Å; D593-K595 IonicContact OD2-NZ 3.89Å; D593-K595 PolarHBondContact OD2-NZ 2.84Å; D593-N598 PolarHBondContact O-ND2 3.11Å; D593-N598 PolarHBondContact OD2-ND2 2.81Å; D593-T637 VanDerWaalsContact OD1-CB 3.25Å; D593-T637 WeakPolarHBondContact OD1-CB 3.49Å; D593-T637 PolarHBondContact OD1-N 2.98Å; D593-T637 PolarHBondContact OD1-OG1 3.23Å; D593-T637 PolarHBondContact OD2-OG1 3.43Å
594	L	90.8	Very high	75.3	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	21%	0.206	C	C	.	.			trans	-75.2	118.4	-178.5	-174	68.5	0	0	0	109.8	L557 H591 V599 I614 S659 L660	L557-L594 HydrophobicContact CD1-CD2 4.46Å; L557-L594 HydrophobicContact CD2-CD2 4.05Å; H591-L594 HydrophobicContact CB-CB 4.37Å; H591-L594 WeakPolarHBondContact ND1-CA 3.29Å; H591-L594 PolarHBondContact ND1-N 3Å; L594-V599 HydrophobicContact CD1-CG2 4.21Å; L594-I614 HydrophobicContact CD1-CD1 4.43Å; L594-S659 WeakPolarHBondContact O-CB 3.4Å; L594-L660 HydrophobicContact CD2-CB 3.75Å; L594-L660 HydrophobicContact CD2-CD1 3.86Å; L594-L660 HydrophobicContact CD2-CG 4.39Å
595	K	91.8	Very high	76.6	Confident	26 Å²	26	40.7 Å²	40.7	11%	0.113	24%	0.239	C	C	.	.	S	Bend	trans	-158.1	163.5	-176.4	61.3	-173.6	178.1	-164.6	0	110.3	D593 Q597 N598 V599 T637 W640	D593-K595 PolarHBondContact O-N 3.31Å; D593-K595 IonicContact OD1-NZ 3.32Å; D593-K595 WeakPolarHBondContact OD2-CE 3.47Å; D593-K595 IonicContact OD2-NZ 3.89Å; D593-K595 PolarHBondContact OD2-NZ 2.84Å; K595-Q597 HydrophobicContact CD-CB 4.36Å; K595-Q597 VanDerWaalsContact CD-OE1 3.3Å; K595-Q597 HydrophobicContact CG-CB 4.19Å; K595-Q597 PolarHBondContact O-N 3.11Å; K595-N598 VanDerWaalsContact CE-ND2 3.32Å; K595-N598 WeakPolarHBondContact CE-ND2 3.36Å; K595-N598 VanDerWaalsContact CE-OD1 3.31Å; K595-N598 WeakPolarHBondContact CE-OD1 3.4Å; K595-N598 HydrophobicContact CG-CB 4.15Å; K595-N598 PolarHBondContact O-N 3.23Å; K595-V599 PolarHBondContact O-N 3.48Å; K595-T637 HydrophobicContact CD-CG2 4.04Å; K595-T637 VanDerWaalsContact CD-OG1 3.31Å; K595-T637 WeakPolarHBondContact CD-OG1 3.47Å; K595-T637 PolarHBondContact NZ-OG1 3.2Å; K595-W640 HydrophobicContact CB-CB 4.45Å; K595-W640 HydrophobicContact CB-CD2 3.95Å; K595-W640 HydrophobicContact CB-CE3 4.46Å; K595-W640 HydrophobicContact CB-CG 3.92Å
596	P	93.8	Very high	77.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.3	-178.1	-27.1	36.3	0	0	0	115	L529 Q530 N598 W640 Y666	L529-P596 HydrophobicContact CB-CB 4.36Å; L529-P596 WeakPolarHBondContact CB-O 3.29Å; L529-P596 HydrophobicContact CD2-CB 4.45Å; L529-P596 HydrophobicContact CG-CB 4.33Å; L529-P596 PolarHBondContact N-O 3.24Å; Q530-P596 HydrophobicContact CB-CB 3.87Å; Q530-P596 PolarHBondContact N-O 3.46Å; P596-N598 VanDerWaalsContact C-N 3.3Å; P596-W640 HydrophobicContact CG-CH2 3.33Å; P596-W640 HydrophobicContact CG-CZ2 3.68Å; P596-W640 HydrophobicContact CG-CZ3 3.95Å; P596-Y666 HydrophobicContact CB-CD1 4.13Å; P596-Y666 HydrophobicContact CB-CE1 3.78Å; P596-Y666 HydrophobicContact CG-CD1 3.57Å; P596-Y666 HydrophobicContact CG-CE1 3.66Å; P596-Y666 HydrophobicContact CG-CG 4.11Å
597	Q	91.4	Very high	78.7	Confident	60 Å²	60	43.6 Å²	43.6	28%	0.28	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-29	175	-62.9	79.4	4.5	0	0	112.7	T528 Q530 K595	T528-Q597 WeakPolarHBondContact CG2-O 3.48Å; Q530-Q597 HydrophobicContact CB-CG 4.47Å; Q530-Q597 VanDerWaalsContact CD-NE2 3.32Å; K595-Q597 HydrophobicContact CD-CB 4.36Å; K595-Q597 VanDerWaalsContact CD-OE1 3.3Å; K595-Q597 HydrophobicContact CG-CB 4.19Å; K595-Q597 PolarHBondContact O-N 3.11Å
598	N	92.4	Very high	79.8	Confident	8 Å²	8	40.3 Å²	40.3	4%	0.043	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-0.1	-173.2	-70.1	4.1	0	0	0	112.3	D593 K595 P596 S615	D593-N598 PolarHBondContact O-ND2 3.11Å; D593-N598 PolarHBondContact OD2-ND2 2.81Å; K595-N598 VanDerWaalsContact CE-ND2 3.32Å; K595-N598 WeakPolarHBondContact CE-ND2 3.36Å; K595-N598 VanDerWaalsContact CE-OD1 3.31Å; K595-N598 WeakPolarHBondContact CE-OD1 3.4Å; K595-N598 HydrophobicContact CG-CB 4.15Å; K595-N598 PolarHBondContact O-N 3.23Å; P596-N598 VanDerWaalsContact C-N 3.3Å; N598-S615 PolarHBondContact O-N 2.95Å; N598-S615 PolarHBondContact O-OG 2.97Å
599	V	94.9	Very high	81.4	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.8	167.9	-179.2	0	0	0	0	108.4	T528 L529 T553 L594 K595 A612 M613 L663	T528-V599 CarbonylContact C-O 3.5Å; L529-V599 HydrophobicContact CB-CB 3.89Å; L529-V599 HydrophobicContact CB-CG1 4.13Å; L529-V599 WeakPolarHBondContact CB-O 3.45Å; L529-V599 HydrophobicContact CD2-CB 4.03Å; L529-V599 HydrophobicContact CD2-CG1 4.12Å; L529-V599 HydrophobicContact CD2-CG2 4.47Å; L529-V599 PolarHBondContact N-O 3.43Å; T553-V599 HydrophobicContact CG2-CG1 4.45Å; T553-V599 HydrophobicContact CG2-CG2 3.9Å; L594-V599 HydrophobicContact CD1-CG2 4.21Å; K595-V599 PolarHBondContact O-N 3.48Å; V599-A612 HydrophobicContact CG1-CB 4.12Å; V599-M613 WeakPolarHBondContact CA-O 3.18Å; V599-L663 HydrophobicContact CG2-CD1 3.8Å
600	L	95.2	Very high	82.8	Confident	31 Å²	31	43 Å²	43	16%	0.162	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	144.9	-175.9	-55.1	-179.8	0	0	0	111.1	V506 C525 T528 A612 M613	V506-L600 HydrophobicContact CG2-CD1 4.43Å; C525-L600 HydrophobicContact CB-CB 3.72Å; C525-L600 HydrophobicContact CB-CD1 4.24Å; T528-L600 HydrophobicContact CG2-CD2 3.81Å; L600-A612 CarbonylContact O-C 3.32Å; L600-A612 WeakPolarHBondContact O-CA 3.25Å; L600-M613 PolarHBondContact N-O 3.35Å; L600-M613 PolarHBondContact O-N 2.85Å
601	L	94.6	Very high	83.8	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	114	174	-68.7	-174.8	0	0	0	111	C525 Q526 C527 Y532 L549 A612	C525-L601 WeakPolarHBondContact CB-O 3.16Å; Q526-L601 WeakPolarHBondContact CB-O 3.41Å; Q526-L601 PolarHBondContact N-O 3.29Å; C527-L601 PolarHBondContact O-N 3.05Å; Y532-L601 HydrophobicContact CD1-CD1 4.09Å; Y532-L601 HydrophobicContact CD2-CD1 3.65Å; Y532-L601 HydrophobicContact CE2-CD1 4.33Å; Y532-L601 HydrophobicContact CG-CD1 3.5Å; L549-L601 HydrophobicContact CD1-CD1 4.39Å; L549-L601 HydrophobicContact CD1-CD2 3.89Å; L549-L601 HydrophobicContact CG-CD2 4.41Å; L601-A612 HydrophobicContact CD2-CB 4.03Å
602	Y	92.8	Very high	84.7	Confident	68 Å²	68	43.7 Å²	43.7	27%	0.267	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.3	171.6	177.9	-107.3	0	0	0	110.4	Q523 L524 V611 M613	Q523-Y602 HydrophobicContact CG-CD2 4.16Å; Q523-Y602 HydrophobicContact CG-CE2 4.45Å; L524-Y602 WeakPolarHBondContact O-CD2 3.47Å; Y602-V611 PolarHBondContact N-O 3.44Å; Y602-V611 PolarHBondContact O-N 2.83Å; Y602-M613 HydrophobicContact CD1-CE 3.73Å; Y602-M613 HydrophobicContact CG-CE 3.77Å; Y602-M613 HydrophobicContact CG-SD 4.46Å
603	C	87.6	Confident	85.5	Confident	40 Å²	40	43.1 Å²	43.1	27%	0.27	25%	0.251	S	S	.	.			trans	-116.6	117.3	173.4	-60.8	0	0	0	0	108
604	S	77.2	Confident	86	Confident	47 Å²	47	41.8 Å²	41.8	33%	0.329	24%	0.244	S	C	.	.			trans	-73.5	145.1	172.2	-175.1	0	0	0	0	109.6	S606	S604-S606 PolarHBondContact O-N 2.96Å; S604-S606 VanDerWaalsContact O-N 3.14Å; S604-S606 PolarHBondContact OG-OG 3.15Å
605	S	63.7	Low	85.9	Confident	132 Å²	132	42.2 Å²	42.2	92%	0.923	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.3	175.9	-49.2	0	0	0	0	113.6
606	S	60.6	Low	85.4	Confident	88 Å²	88	43.4 Å²	43.4	62%	0.615	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	78.4	-178.2	60.7	0	0	0	0	111.3	S604 G608	S604-S606 PolarHBondContact O-N 2.96Å; S604-S606 VanDerWaalsContact O-N 3.14Å; S604-S606 PolarHBondContact OG-OG 3.15Å; S606-G608 WeakPolarHBondContact O-CA 3.32Å; S606-G608 PolarHBondContact O-N 3.47Å
607	D	59.6	Low	84.2	Confident	173 Å²	173	43.8 Å²	43.8	93%	0.925	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	37.6	21.8	171	-68.5	-17.5	0	0	0	117.7
608	G	68.4	Low	82.7	Confident	35 Å²	35	42 Å²	42	36%	0.361	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-83	141.4	-169	0	0	0	0	0	109.3	S606	S606-G608 WeakPolarHBondContact O-CA 3.32Å; S606-G608 PolarHBondContact O-N 3.47Å
609	Q	83.3	Confident	80.6	Confident	119 Å²	119	43.3 Å²	43.3	56%	0.556	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-56.3	135.5	170.4	-70.4	-66.1	-43.5	0	0	110.1	M548	M548-Q609 HydrophobicContact CE-CB 3.64Å; M548-Q609 HydrophobicContact CE-CG 4.14Å
610	P	90.5	Very high	78	Confident	10 Å²	10	44 Å²	44	7%	0.065	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-53.7	143.5	176.1	-27.5	36.2	0	0	0	112.1	I542 V544 Q552	I542-P610 HydrophobicContact CG2-CB 3.89Å; I542-P610 HydrophobicContact CG2-CG 3.49Å; I542-P610 VanDerWaalsContact CG2-CG 3.49Å; V544-P610 HydrophobicContact CB-CB 4.18Å; V544-P610 HydrophobicContact CB-CG 4.08Å; V544-P610 HydrophobicContact CG2-CB 4.46Å; Q552-P610 PolarHBondContact NE2-O 2.88Å; Q552-P610 PolarHBondContact OE1-O 3.16Å
611	V	93.1	Very high	75.5	Confident	19 Å²	19	46.4 Å²	46.4	12%	0.115	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117.2	-178.9	-172.8	0	0	0	0	109.8	R503 Y602 M613	R503-V611 WeakPolarHBondContact O-CG1 3.23Å; Y602-V611 PolarHBondContact N-O 3.44Å; Y602-V611 PolarHBondContact O-N 2.83Å; V611-M613 HydrophobicContact CB-CE 4.2Å; V611-M613 HydrophobicContact CG1-CE 3.92Å; V611-M613 HydrophobicContact CG1-CG 4.15Å
612	A	95.3	Very high	72.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	128.2	168.4	0	0	0	0	0	110.1	N504 L549 Q552 V599 L600 L601	N504-A612 WeakPolarHBondContact CA-O 3.12Å; N504-A612 WeakPolarHBondContact CB-O 3.5Å; N504-A612 PolarHBondContact ND2-O 3.29Å; L549-A612 HydrophobicContact CG-CB 4.2Å; Q552-A612 HydrophobicContact CB-CB 3.97Å; V599-A612 HydrophobicContact CG1-CB 4.12Å; L600-A612 CarbonylContact O-C 3.32Å; L600-A612 WeakPolarHBondContact O-CA 3.25Å; L601-A612 HydrophobicContact CD2-CB 4.03Å
613	M	94.7	Very high	69.9	Low	18 Å²	18	51.6 Å²	51.6	9%	0.089	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.3	-178	-62.8	-180	177.8	0	0	109.9	N504 Q523 V599 L600 Y602 V611	N504-M613 WeakPolarHBondContact O-CA 3.43Å; Q523-M613 HydrophobicContact CG-SD 4.12Å; V599-M613 WeakPolarHBondContact CA-O 3.18Å; L600-M613 PolarHBondContact N-O 3.35Å; L600-M613 PolarHBondContact O-N 2.85Å; Y602-M613 HydrophobicContact CD1-CE 3.73Å; Y602-M613 HydrophobicContact CG-CE 3.77Å; Y602-M613 HydrophobicContact CG-SD 4.46Å; V611-M613 HydrophobicContact CB-CE 4.2Å; V611-M613 HydrophobicContact CG1-CE 3.92Å; V611-M613 HydrophobicContact CG1-CG 4.15Å
614	I	93.4	Very high	67.2	Low	1 Å²	1	55.5 Å²	55.5	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	135.8	171.9	-64.4	-173.7	0	0	0	109.7	N504 V506 T553 L557 L560 H591 L594 F617	N504-I614 PolarHBondContact O-N 2.9Å; V506-I614 WeakPolarHBondContact CB-O 3.37Å; V506-I614 PolarHBondContact N-O 3.4Å; T553-I614 HydrophobicContact CG2-CD1 4.45Å; T553-I614 HydrophobicContact CG2-CG1 4.36Å; T553-I614 WeakPolarHBondContact O-CD1 3.29Å; L557-I614 HydrophobicContact CB-CD1 3.83Å; L557-I614 HydrophobicContact CD1-CD1 4.43Å; L557-I614 VanDerWaalsContact N-CD1 3.27Å; L560-I614 HydrophobicContact CD1-CD1 4.4Å; L560-I614 HydrophobicContact CD1-CG2 3.87Å; H591-I614 WeakPolarHBondContact CD2-CG2 3.25Å; H591-I614 VanDerWaalsContact NE2-CG2 3.32Å; H591-I614 WeakPolarHBondContact NE2-CG2 3.5Å; L594-I614 HydrophobicContact CD1-CD1 4.43Å; I614-F617 HydrophobicContact CG2-CD1 4.19Å
615	S	89.9	Confident	64.9	Low	11 Å²	11	54.7 Å²	54.7	8%	0.077	31%	0.306	C	S	.	.			trans	-137	168	-179.9	69.9	0	0	0	0	111.4	H591 N598 F617	H591-S615 PolarHBondContact NE2-O 3.34Å; N598-S615 PolarHBondContact O-N 2.95Å; N598-S615 PolarHBondContact O-OG 2.97Å; S615-F617 VanDerWaalsContact C-N 3.32Å; S615-F617 PolarHBondContact O-N 2.94Å
616	D	80.4	Confident	63.4	Low	50 Å²	50	53.9 Å²	53.9	27%	0.267	28%	0.283	S	S	.	.			trans	57	39.4	172.8	-148.4	22.9	0	0	0	114.4	K479 D618	K479-D616 IonicContact NZ-OD1 3.04Å; K479-D616 PolarHBondContact NZ-OD1 3.43Å; D616-D618 VanDerWaalsContact C-N 3.3Å; D616-D618 PolarHBondContact O-N 2.93Å
617	F	70.2	Confident	62	Low	9 Å²	9	53.2 Å²	53.2	4%	0.039	27%	0.272	C	S	.	.			trans	-81.7	78.1	171.5	45.8	-85.4	0	0	0	110.2	L495 L496 S499 V505 V506 L560 I614 S615 L619	L495-F617 HydrophobicContact CB-CD2 4.04Å; L495-F617 HydrophobicContact CB-CE2 3.7Å; L495-F617 HydrophobicContact CD1-CD2 4.42Å; L496-F617 HydrophobicContact CD2-CE1 3.8Å; L496-F617 HydrophobicContact CD2-CE2 4.24Å; L496-F617 HydrophobicContact CD2-CZ 3.38Å; L496-F617 HydrophobicContact CG-CE2 4.17Å; L496-F617 HydrophobicContact CG-CZ 3.8Å; S499-F617 VanDerWaalsContact OG-CZ 3.29Å; S499-F617 WeakPolarHBondContact OG-CZ 3.48Å; V505-F617 HydrophobicContact CG1-CE1 3.65Å; V505-F617 HydrophobicContact CG1-CZ 3.73Å; V506-F617 HydrophobicContact CG1-CE1 4.42Å; L560-F617 HydrophobicContact CD1-CD1 4.28Å; L560-F617 HydrophobicContact CD1-CG 4.34Å; L560-F617 HydrophobicContact CD2-CD2 4.48Å; L560-F617 HydrophobicContact CD2-CE2 4.29Å; L560-F617 HydrophobicContact CD2-CZ 4.31Å; I614-F617 HydrophobicContact CG2-CD1 4.19Å; S615-F617 VanDerWaalsContact C-N 3.32Å; S615-F617 PolarHBondContact O-N 2.94Å; F617-L619 PolarHBondContact O-N 3.16Å
618	D	58	Low	60.7	Low	22 Å²	22	49.3 Å²	49.3	12%	0.118	25%	0.245	C	C	.	.			trans	-90.4	103.4	178.2	-156.1	-36.9	0	0	0	111.3	K488 D616 G620	K488-D618 WeakPolarHBondContact CD-OD2 3.3Å; K488-D618 WeakPolarHBondContact CE-OD2 3.42Å; K488-D618 WeakPolarHBondContact CG-OD2 3.31Å; K488-D618 IonicContact NZ-OD2 2.87Å; D616-D618 VanDerWaalsContact C-N 3.3Å; D616-D618 PolarHBondContact O-N 2.93Å; D618-G620 PolarHBondContact O-N 2.84Å; D618-G620 VanDerWaalsContact OD1-CA 3.24Å; D618-G620 WeakPolarHBondContact OD1-CA 3.29Å; D618-G620 PolarHBondContact OD1-N 3.06Å
619	L	49.6	Very low	59	Low	35 Å²	35	49 Å²	49	18%	0.183	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	3	171.9	-69.7	178	0	0	0	113.5	L495 K589 M590 R592 F617	L495-L619 HydrophobicContact CD1-CB 3.99Å; L495-L619 HydrophobicContact CD1-CD1 3.33Å; L495-L619 HydrophobicContact CD1-CG 3.52Å; L495-L619 HydrophobicContact CD2-CD1 3.54Å; L495-L619 HydrophobicContact CG-CD1 4.03Å; K589-L619 HydrophobicContact CB-CD1 4.43Å; K589-L619 HydrophobicContact CG-CD1 4.1Å; M590-L619 WeakPolarHBondContact O-CD2 3.31Å; R592-L619 PolarHBondContact NH1-O 3.33Å; F617-L619 PolarHBondContact O-N 3.16Å
620	G	40.5	Very low	56.5	Low	15 Å²	15	44.3 Å²	44.3	16%	0.155	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-3	-162.2	0	0	0	0	0	118.4	D618 Q622	D618-G620 PolarHBondContact O-N 2.84Å; D618-G620 VanDerWaalsContact OD1-CA 3.24Å; D618-G620 WeakPolarHBondContact OD1-CA 3.29Å; D618-G620 PolarHBondContact OD1-N 3.06Å; G620-Q622 PolarHBondContact O-N 3.3Å; G620-Q622 VanDerWaalsContact O-N 3.12Å
621	Q	42.5	Very low	53.9	Low	82 Å²	82	48 Å²	48	38%	0.383	23%	0.231	S	C	.	.	S	Bend	trans	-70.9	107.2	157.3	-75.6	-157.9	51.7	0	0	106.1	L623 T634 A635	Q621-L623 PolarHBondContact O-N 2.83Å; Q621-T634 PolarHBondContact OE1-O 2.77Å; Q621-A635 HydrophobicContact CB-CB 3.3Å; Q621-A635 HydrophobicContact CG-CB 4.27Å
622	Q	35.8	Very low	51.1	Low	120 Å²	120	52.3 Å²	52.3	56%	0.561	25%	0.248	S	C	*	.			trans	-44.7	113.3	178.3	-93.3	170.1	-52.5	0	0	108.8	G620 Y624 S625	G620-Q622 PolarHBondContact O-N 3.3Å; G620-Q622 VanDerWaalsContact O-N 3.12Å; Q622-Y624 PolarHBondContact O-N 2.88Å; Q622-S625 PolarHBondContact O-N 2.88Å; Q622-S625 PolarHBondContact OE1-OG 3.34Å
623	L	33.4	Very low	48.2	Very low	57 Å²	57	53.3 Å²	53.3	30%	0.298	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	111.6	155.5	-70.9	173.7	0	0	0	104.5	M590 Q621 V651	M590-L623 HydrophobicContact CE-CD1 4.07Å; Q621-L623 PolarHBondContact O-N 2.83Å; L623-V651 HydrophobicContact CD2-CB 4.31Å; L623-V651 HydrophobicContact CD2-CG2 4.25Å
624	Y	30.9	Very low	45.9	Very low	122 Å²	122	55 Å²	55	48%	0.478	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	65.5	-176.5	-49.7	-84.8	0	0	0	114.5	Q622 F632 G648 E649	Q622-Y624 PolarHBondContact O-N 2.88Å; Y624-F632 AromaticContact CD1-CD1 3.68Å; Y624-F632 HydrophobicContact CD1-CD1 3.68Å; Y624-F632 AromaticContact CD1-CE1 3.57Å; Y624-F632 HydrophobicContact CD1-CE1 3.57Å; Y624-F632 HydrophobicContact CE1-CD1 4.32Å; Y624-F632 HydrophobicContact CE1-CE1 4.14Å; Y624-G648 PolarHBondContact OH-O 2.89Å; Y624-E649 PolarHBondContact OH-O 3.09Å; Y624-E649 VanDerWaalsContact OH-O 3.06Å
625	S	29.4	Very low	43.9	Very low	31 Å²	31	55.4 Å²	55.4	22%	0.217	27%	0.27	C	S	.	.			trans	-103.4	117.7	147.2	-154	0	0	0	0	108.9	Q622 N627 S633	Q622-S625 PolarHBondContact O-N 2.88Å; Q622-S625 PolarHBondContact OE1-OG 3.34Å; S625-N627 PolarHBondContact O-N 3.38Å; S625-S633 PolarHBondContact O-N 2.99Å; S625-S633 VanDerWaalsContact O-N 3.16Å
626	R	31.2	Very low	42.5	Very low	115 Å²	115	55.6 Å²	55.6	43%	0.434	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-65.1	100.6	169.1	-158.2	174	-170.6	-169.6	1.8	105.1	E186 H233	E186-R626 IonicContact OE1-NH1 3.14Å; H233-R626 PolarHBondContact CE1-NH1 2.74Å; H233-R626 PolarHBondContact CE1-NH2 2.77Å; H233-R626 PolarHBondContact NE2-NH1 2.76Å; H233-R626 PolarHBondContact NE2-NH2 3.16Å
627	N	32.9	Very low	42.3	Very low	74 Å²	74	55.3 Å²	55.3	40%	0.396	27%	0.274	S	S	.	.			trans	-59.6	164.6	171	-75.5	-17.3	0	0	0	108.7	S625 N629 G630 R631 S633	S625-N627 PolarHBondContact O-N 3.38Å; N627-N629 PolarHBondContact O-N 3.27Å; N627-G630 PolarHBondContact O-N 2.88Å; N627-R631 WeakPolarHBondContact CB-O 3.34Å; N627-R631 PolarHBondContact N-O 2.99Å; N627-S633 WeakPolarHBondContact ND2-CB 3.44Å
628	W	30.9	Very low	42.8	Very low	91 Å²	91	61.1 Å²	61.1	35%	0.345	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-16	-171.2	-64.1	7.2	0	0	0	114.5	D69 N176 Q231	D69-W628 HydrophobicContact CB-CD2 4.37Å; D69-W628 HydrophobicContact CB-CE3 3.38Å; D69-W628 HydrophobicContact CB-CZ3 3.93Å; N176-W628 PolarHBondContact ND2-NE1 3.22Å; Q231-W628 PolarHBondContact NE2-O 2.87Å
629	N	32.8	Very low	44.1	Very low	29 Å²	29	60.2 Å²	60.2	16%	0.155	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	15.9	-173.7	-47.7	2.9	0	0	0	112.7	D69 N627 R631	D69-N629 PolarHBondContact OD2-ND2 2.88Å; D69-N629 PolarHBondContact OD2-OD1 3.13Å; N627-N629 PolarHBondContact O-N 3.27Å; N629-R631 PolarHBondContact O-N 3.26Å; N629-R631 VanDerWaalsContact O-N 3.11Å
630	G	31.1	Very low	46.2	Very low	19 Å²	19	59.4 Å²	59.4	20%	0.196	29%	0.292	C	S	.	.	S	Bend	trans	71.6	1.2	-175.8	0	0	0	0	0	114.6	N627	N627-G630 PolarHBondContact O-N 2.88Å
631	R	35.1	Very low	48.5	Very low	88 Å²	88	59 Å²	59	33%	0.332	29%	0.286	S	S	.	.			trans	-83.2	135.6	174.6	-80.3	-175.5	168.8	-172.5	-4.1	110.6	N627 N629 S633	N627-R631 WeakPolarHBondContact CB-O 3.34Å; N627-R631 PolarHBondContact N-O 2.99Å; N629-R631 PolarHBondContact O-N 3.26Å; N629-R631 VanDerWaalsContact O-N 3.11Å; R631-S633 PolarHBondContact O-N 2.81Å
632	F	35.5	Very low	50.9	Low	109 Å²	109	55.1 Å²	55.1	48%	0.478	27%	0.267	S	S	.	.	B	Isolated β-bridge	trans	-61.8	126.5	165.5	-59.6	-73.2	0	0	0	108.8	Y624 T634	Y624-F632 AromaticContact CD1-CD1 3.68Å; Y624-F632 HydrophobicContact CD1-CD1 3.68Å; Y624-F632 AromaticContact CD1-CE1 3.57Å; Y624-F632 HydrophobicContact CD1-CE1 3.57Å; Y624-F632 HydrophobicContact CE1-CD1 4.32Å; Y624-F632 HydrophobicContact CE1-CE1 4.14Å; F632-T634 VanDerWaalsContact C-N 3.3Å; F632-T634 PolarHBondContact O-N 3.31Å
633	S	34.9	Very low	53.5	Low	22 Å²	22	49.5 Å²	49.5	15%	0.154	24%	0.241	C	C	.	.			trans	-66.3	96.8	159.9	62.5	0	0	0	0	107.3	S625 N627 R631 A635	S625-S633 PolarHBondContact O-N 2.99Å; S625-S633 VanDerWaalsContact O-N 3.16Å; N627-S633 WeakPolarHBondContact ND2-CB 3.44Å; R631-S633 PolarHBondContact O-N 2.81Å; S633-A635 PolarHBondContact O-N 2.75Å
634	T	46.3	Very low	56	Low	53 Å²	53	47 Å²	47	33%	0.325	23%	0.228	S	C	.	.			trans	-70.9	112.8	172.9	43.4	0	0	0	0	108.4	Q621 F632 G636 V645	Q621-T634 PolarHBondContact OE1-O 2.77Å; F632-T634 VanDerWaalsContact C-N 3.3Å; F632-T634 PolarHBondContact O-N 3.31Å; T634-G636 PolarHBondContact O-N 2.83Å; T634-V645 WeakPolarHBondContact CG2-O 3.06Å
635	A	51.6	Low	58.6	Low	10 Å²	10	42 Å²	42	8%	0.083	21%	0.211	C	C	.	.			trans	-59.2	113.7	169	0	0	0	0	0	110.6	Q621 S633	Q621-A635 HydrophobicContact CB-CB 3.3Å; Q621-A635 HydrophobicContact CG-CB 4.27Å; S633-A635 PolarHBondContact O-N 2.75Å
636	G	59.5	Low	61.2	Low	15 Å²	15	42 Å²	42	16%	0.155	21%	0.207	C	C	.	.	S	Bend	trans	143.9	166.7	172.7	0	0	0	0	0	113.9	T634	T634-G636 PolarHBondContact O-N 2.83Å
637	T	76.3	Confident	63.4	Low	43 Å²	43	42 Å²	42	26%	0.264	21%	0.21	S	C	.	.			trans	-90.5	129.6	176.6	-58.2	0	0	0	0	110.9	D593 K595 G639 W640 M641	D593-T637 VanDerWaalsContact OD1-CB 3.25Å; D593-T637 WeakPolarHBondContact OD1-CB 3.49Å; D593-T637 PolarHBondContact OD1-N 2.98Å; D593-T637 PolarHBondContact OD1-OG1 3.23Å; D593-T637 PolarHBondContact OD2-OG1 3.43Å; K595-T637 HydrophobicContact CD-CG2 4.04Å; K595-T637 VanDerWaalsContact CD-OG1 3.31Å; K595-T637 WeakPolarHBondContact CD-OG1 3.47Å; K595-T637 PolarHBondContact NZ-OG1 3.2Å; T637-G639 PolarHBondContact O-N 3.37Å; T637-W640 PolarHBondContact O-N 3.03Å; T637-M641 PolarHBondContact O-N 3.18Å
638	E	81.1	Confident	65.1	Low	132 Å²	132	39.4 Å²	39.4	62%	0.617	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	138.5	178.2	-65.3	-171	150.4	0	0	112.1	W640 M641 Q682	E638-W640 VanDerWaalsContact C-N 3.28Å; E638-W640 PolarHBondContact O-N 2.93Å; E638-M641 HydrophobicContact CB-CE 4.48Å; E638-M641 HydrophobicContact CG-CE 4Å; E638-Q682 VanDerWaalsContact CA-OE1 3.23Å; E638-Q682 VanDerWaalsContact CB-OE1 3.25Å
639	G	85.6	Confident	67	Low	3 Å²	3	39.6 Å²	39.6	3%	0.031	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	-11.5	-175	0	0	0	0	0	116.2	T637 H673 I685	T637-G639 PolarHBondContact O-N 3.37Å; G639-H673 PolarHBondContact O-CE1 3.16Å; G639-H673 PolarHBondContact O-NE2 3.46Å; G639-I685 WeakPolarHBondContact O-CD1 3.41Å
640	W	92.3	Very high	68.4	Low	18 Å²	18	41.6 Å²	41.6	7%	0.068	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-10.2	175	-60.4	91.1	0	0	0	113.6	K595 P596 T637 E638 S659 C662 L663 Y666 H673	K595-W640 HydrophobicContact CB-CB 4.45Å; K595-W640 HydrophobicContact CB-CD2 3.95Å; K595-W640 HydrophobicContact CB-CE3 4.46Å; K595-W640 HydrophobicContact CB-CG 3.92Å; P596-W640 HydrophobicContact CG-CH2 3.33Å; P596-W640 HydrophobicContact CG-CZ2 3.68Å; P596-W640 HydrophobicContact CG-CZ3 3.95Å; T637-W640 PolarHBondContact O-N 3.03Å; E638-W640 VanDerWaalsContact C-N 3.28Å; E638-W640 PolarHBondContact O-N 2.93Å; W640-S659 WeakPolarHBondContact O-CB 3.39Å; W640-S659 PolarHBondContact O-OG 3.3Å; W640-C662 HydrophobicContact CE3-CB 4Å; W640-C662 HydrophobicContact CZ3-CB 3.99Å; W640-L663 HydrophobicContact CZ3-CB 4.45Å; W640-Y666 HydrophobicContact CH2-CD2 4.09Å; W640-Y666 HydrophobicContact CH2-CG 4.06Å; W640-H673 AromaticContact CE3-NE2 3.99Å; W640-H673 AromaticContact CH2-CD2 3.85Å; W640-H673 AromaticContact CZ3-CD2 3.91Å
641	M	90.2	Very high	70.2	Confident	6 Å²	6	41.9 Å²	41.9	3%	0.03	22%	0.22	C	C	.	.	S	Bend	trans	-72.4	140.9	179.7	-69	-175.1	-75.2	0	0	111.8	T637 E638 V645 I646 F658	T637-M641 PolarHBondContact O-N 3.18Å; E638-M641 HydrophobicContact CB-CE 4.48Å; E638-M641 HydrophobicContact CG-CE 4Å; M641-V645 HydrophobicContact CB-CB 4.31Å; M641-V645 HydrophobicContact CB-CG1 4.19Å; M641-V645 HydrophobicContact CG-CG1 4.15Å; M641-V645 HydrophobicContact SD-CG1 3.93Å; M641-I646 HydrophobicContact CB-CD1 4.19Å; M641-I646 HydrophobicContact CB-CG1 3.72Å; M641-I646 HydrophobicContact CE-CG1 4.3Å; M641-F658 WeakPolarHBondContact O-CE1 3.47Å
642	A	91.6	Very high	72	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.			trans	-65.6	152.9	171.7	0	0	0	0	0	111.7	E644 V645 I646 F658	A642-E644 VanDerWaalsContact C-N 3.3Å; A642-E644 WeakPolarHBondContact CB-OE1 3.47Å; A642-E644 WeakPolarHBondContact CB-OE2 3.34Å; A642-E644 PolarHBondContact O-N 2.89Å; A642-V645 HydrophobicContact CB-CG2 4.06Å; A642-V645 WeakPolarHBondContact O-CB 3.48Å; A642-V645 PolarHBondContact O-N 3.23Å; A642-I646 WeakPolarHBondContact O-CG1 3.47Å; A642-I646 PolarHBondContact O-N 3.18Å; A642-I646 VanDerWaalsContact O-N 3.11Å; A642-F658 VanDerWaalsContact CA-CD1 3.46Å; A642-F658 HydrophobicContact CB-CB 3.76Å; A642-F658 HydrophobicContact CB-CD1 3.91Å; A642-F658 HydrophobicContact CB-CG 3.82Å
643	P	91	Very high	74.3	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.013	19%	0.191	C	C	.	.	H	α-helix	trans	-57.3	-39.3	-177.6	21.4	-32.6	0	0	0	113.2	V645 I646 K647 I685 S711	P643-V645 VanDerWaalsContact C-N 3.31Å; P643-V645 PolarHBondContact O-N 2.84Å; P643-I646 PolarHBondContact O-N 2.81Å; P643-K647 WeakPolarHBondContact O-CB 3.42Å; P643-K647 VanDerWaalsContact O-CG 3.23Å; P643-K647 WeakPolarHBondContact O-CG 3.47Å; P643-K647 PolarHBondContact O-N 3.38Å; P643-I685 HydrophobicContact CB-CG2 4.14Å; P643-S711 WeakPolarHBondContact CG-O 3.27Å
644	E	85.9	Confident	76.9	Confident	6 Å²	6	33.1 Å²	33.1	3%	0.028	19%	0.185	C	C	.	.	H	α-helix	trans	-65.6	-32.2	176.6	68.3	-83.8	-161	0	0	112.7	A642 G648 E649 S655 R716	A642-E644 VanDerWaalsContact C-N 3.3Å; A642-E644 WeakPolarHBondContact CB-OE1 3.47Å; A642-E644 WeakPolarHBondContact CB-OE2 3.34Å; A642-E644 PolarHBondContact O-N 2.89Å; E644-G648 PolarHBondContact O-N 2.93Å; E644-E649 HydrophobicContact CB-CB 4.05Å; E644-E649 PolarHBondContact O-N 3.4Å; E644-S655 PolarHBondContact OE1-OG 2.76Å; E644-R716 IonicContact OE1-CZ 3.83Å; E644-R716 IonicContact OE1-NH1 3.31Å; E644-R716 PolarHBondContact OE1-NH1 3.35Å; E644-R716 IonicContact OE1-NH2 3.98Å; E644-R716 IonicContact OE2-CZ 3Å; E644-R716 IonicContact OE2-NH1 3.24Å; E644-R716 PolarHBondContact OE2-NH1 2.91Å; E644-R716 IonicContact OE2-NH2 2.66Å; E644-R716 PolarHBondContact OE2-NH2 2.83Å
645	V	84.7	Confident	78.9	Confident	17 Å²	17	30.8 Å²	30.8	10%	0.103	17%	0.171	C	C	.	.	H	α-helix	trans	-68.3	-43.7	175.1	178.1	0	0	0	0	109.9	T634 M641 A642 P643 K647 G648 V651	T634-V645 WeakPolarHBondContact CG2-O 3.06Å; M641-V645 HydrophobicContact CB-CB 4.31Å; M641-V645 HydrophobicContact CB-CG1 4.19Å; M641-V645 HydrophobicContact CG-CG1 4.15Å; M641-V645 HydrophobicContact SD-CG1 3.93Å; A642-V645 HydrophobicContact CB-CG2 4.06Å; A642-V645 WeakPolarHBondContact O-CB 3.48Å; A642-V645 PolarHBondContact O-N 3.23Å; P643-V645 VanDerWaalsContact C-N 3.31Å; P643-V645 PolarHBondContact O-N 2.84Å; V645-K647 VanDerWaalsContact C-N 3.34Å; V645-G648 PolarHBondContact O-N 3.12Å; V645-V651 HydrophobicContact CG2-CG1 3.92Å; V645-V651 HydrophobicContact CG2-CG2 3.89Å
646	I	83.8	Confident	80.9	Confident	29 Å²	29	30.3 Å²	30.3	15%	0.149	17%	0.167	C	C	.	.	H	α-helix	trans	-66.9	-37.7	179.5	-58.3	158.9	0	0	0	111	M641 A642 P643 G648 Q682 I685 L686	M641-I646 HydrophobicContact CB-CD1 4.19Å; M641-I646 HydrophobicContact CB-CG1 3.72Å; M641-I646 HydrophobicContact CE-CG1 4.3Å; A642-I646 WeakPolarHBondContact O-CG1 3.47Å; A642-I646 PolarHBondContact O-N 3.18Å; A642-I646 VanDerWaalsContact O-N 3.11Å; P643-I646 PolarHBondContact O-N 2.81Å; I646-G648 VanDerWaalsContact C-N 3.25Å; I646-G648 PolarHBondContact O-N 3.39Å; I646-Q682 HydrophobicContact CD1-CG 3.89Å; I646-Q682 HydrophobicContact CG1-CG 4.37Å; I646-Q682 HydrophobicContact CG2-CG 4.25Å; I646-I685 HydrophobicContact CD1-CB 4.21Å; I646-I685 HydrophobicContact CD1-CG2 3.64Å; I646-L686 HydrophobicContact CB-CD2 3.93Å; I646-L686 HydrophobicContact CD1-CD2 4.48Å; I646-L686 HydrophobicContact CD1-CG 4.45Å; I646-L686 HydrophobicContact CG2-CD1 3.89Å; I646-L686 HydrophobicContact CG2-CD2 3.69Å; I646-L686 HydrophobicContact CG2-CG 3.97Å
647	K	78.4	Confident	82.6	Confident	115 Å²	115	29.6 Å²	29.6	50%	0.5	16%	0.16	S	C	.	.	H	α-helix	trans	-74	-12.9	177.8	-68.6	172.8	-171.5	175.8	0	113.7	P643 V645 E649 L686	P643-K647 WeakPolarHBondContact O-CB 3.42Å; P643-K647 VanDerWaalsContact O-CG 3.23Å; P643-K647 WeakPolarHBondContact O-CG 3.47Å; P643-K647 PolarHBondContact O-N 3.38Å; V645-K647 VanDerWaalsContact C-N 3.34Å; K647-E649 VanDerWaalsContact C-N 3.33Å; K647-E649 HydrophobicContact CB-CG 3.86Å; K647-E649 VanDerWaalsContact CD-OE1 3.25Å; K647-E649 WeakPolarHBondContact CD-OE1 3.15Å; K647-L686 HydrophobicContact CG-CD2 3.93Å
648	G	67.6	Low	83.5	Confident	20 Å²	20	27.6 Å²	27.6	21%	0.206	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	28.6	-174.1	0	0	0	0	0	113.1	Y624 E644 V645 I646	Y624-G648 PolarHBondContact OH-O 2.89Å; E644-G648 PolarHBondContact O-N 2.93Å; V645-G648 PolarHBondContact O-N 3.12Å; I646-G648 VanDerWaalsContact C-N 3.25Å; I646-G648 PolarHBondContact O-N 3.39Å
649	E	71.6	Confident	84.2	Confident	96 Å²	96	21.6 Å²	21.6	45%	0.449	12%	0.12	S	C	.	.			trans	-82.9	-178.8	176.2	-69.4	170.5	177.7	0	0	111.1	Y624 E644 K647 V651	Y624-E649 PolarHBondContact OH-O 3.09Å; Y624-E649 VanDerWaalsContact OH-O 3.06Å; E644-E649 HydrophobicContact CB-CB 4.05Å; E644-E649 PolarHBondContact O-N 3.4Å; K647-E649 VanDerWaalsContact C-N 3.33Å; K647-E649 HydrophobicContact CB-CG 3.86Å; K647-E649 VanDerWaalsContact CD-OE1 3.25Å; K647-E649 WeakPolarHBondContact CD-OE1 3.15Å; E649-V651 WeakPolarHBondContact O-CG2 3.02Å; E649-V651 PolarHBondContact O-N 3.23Å
650	S	62.8	Low	84.8	Confident	70 Å²	70	21.5 Å²	21.5	49%	0.49	12%	0.119	S	C	.	.			trans	-65	116.9	177.5	-67.2	0	0	0	0	111.1
651	V	69.5	Low	85	Confident	26 Å²	26	20.6 Å²	20.6	16%	0.158	12%	0.115	C	C	.	.			trans	-92.4	134.2	-178.4	-177.7	0	0	0	0	110	M590 L623 V645 E649 S655	M590-V651 HydrophobicContact CE-CB 4.44Å; M590-V651 HydrophobicContact CE-CG1 3.99Å; M590-V651 HydrophobicContact SD-CG1 3.9Å; L623-V651 HydrophobicContact CD2-CB 4.31Å; L623-V651 HydrophobicContact CD2-CG2 4.25Å; V645-V651 HydrophobicContact CG2-CG1 3.92Å; V645-V651 HydrophobicContact CG2-CG2 3.89Å; E649-V651 WeakPolarHBondContact O-CG2 3.02Å; E649-V651 PolarHBondContact O-N 3.23Å; V651-S655 WeakPolarHBondContact CG1-OG 3.06Å
652	C	72.8	Confident	85.4	Confident	14 Å²	14	20.3 Å²	20.3	10%	0.095	11%	0.114	C	C	.	.			trans	-132.6	180	173.1	71.1	0	0	0	0	111.8	L584 M590 L654 S655	L584-C652 HydrophobicContact CD1-CB 3.55Å; M590-C652 WeakPolarHBondContact SD-CA 3.38Å; C652-L654 PolarHBondContact O-N 3.29Å; C652-S655 PolarHBondContact N-OG 3.31Å; C652-S655 VanDerWaalsContact O-CB 3.27Å; C652-S655 WeakPolarHBondContact O-CB 3.45Å; C652-S655 PolarHBondContact O-N 3.44Å; C652-S655 PolarHBondContact O-OG 3.09Å
653	C	82.6	Confident	85.7	Confident	13 Å²	13	20.3 Å²	20.3	9%	0.088	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.8	179.7	58.5	0	0	0	0	113.8	H561 C571 S655 D656	H561-C653 PolarHBondContact CE1-O 2.84Å; H561-C653 VanDerWaalsContact CE1-O 3.31Å; C571-C653 VanDerWaalsContact SG-SG 3.66Å; C653-S655 PolarHBondContact O-N 2.73Å; C653-D656 WeakPolarHBondContact O-CB 3.48Å; C653-D656 PolarHBondContact O-N 3.24Å; C653-D656 VanDerWaalsContact O-N 3.14Å
654	L	89.3	Confident	86	Confident	7 Å²	7	20.2 Å²	20.2	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-69.5	-15.4	175.4	-54.1	177.1	0	0	0	112.8	C571 C652 D656 I657 F658 S713 R716 T718	C571-L654 HydrophobicContact CB-CD1 4.42Å; C652-L654 PolarHBondContact O-N 3.29Å; L654-D656 VanDerWaalsContact C-N 3.34Å; L654-I657 HydrophobicContact CD2-CG1 4.18Å; L654-I657 WeakPolarHBondContact O-CB 3.26Å; L654-I657 PolarHBondContact O-N 3.35Å; L654-F658 PolarHBondContact O-N 3.07Å; L654-S713 WeakPolarHBondContact CD1-O 3.33Å; L654-R716 WeakPolarHBondContact O-CD 3.33Å; L654-R716 PolarHBondContact O-NH1 3.24Å; L654-T718 HydrophobicContact CD2-CG2 4.34Å
655	S	89.8	Confident	86.5	Confident	4 Å²	4	20 Å²	20	3%	0.028	11%	0.112	C	C	.	.	H	α-helix	trans	-66.8	-38.1	169.9	-35.9	0	0	0	0	110.9	E644 V651 C652 C653 I657 F658 S659	E644-S655 PolarHBondContact OE1-OG 2.76Å; V651-S655 WeakPolarHBondContact CG1-OG 3.06Å; C652-S655 PolarHBondContact N-OG 3.31Å; C652-S655 VanDerWaalsContact O-CB 3.27Å; C652-S655 WeakPolarHBondContact O-CB 3.45Å; C652-S655 PolarHBondContact O-N 3.44Å; C652-S655 PolarHBondContact O-OG 3.09Å; C653-S655 PolarHBondContact O-N 2.73Å; S655-I657 VanDerWaalsContact C-N 3.26Å; S655-I657 PolarHBondContact O-N 3.5Å; S655-F658 WeakPolarHBondContact O-CB 3.35Å; S655-F658 PolarHBondContact O-N 2.94Å; S655-S659 PolarHBondContact O-N 3.24Å; S655-S659 PolarHBondContact O-OG 3.32Å
656	D	91.7	Very high	87	Confident	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-68.1	-29.6	174.8	-62.4	-34.2	0	0	0	111.5	L557 H561 M590 H591 R592 C653 L654 F658 S659 L660	L557-D656 HydrophobicContact CD1-CB 3.99Å; L557-D656 HydrophobicContact CD2-CB 4.02Å; H561-D656 IonicContact CD2-OD2 2.8Å; H561-D656 IonicContact CE1-OD2 3.5Å; H561-D656 IonicContact NE2-OD2 2.71Å; H561-D656 PolarHBondContact NE2-OD2 3Å; M590-D656 WeakPolarHBondContact CA-OD2 3.46Å; H591-D656 PolarHBondContact N-OD1 3.03Å; H591-D656 PolarHBondContact N-OD2 2.83Å; R592-D656 PolarHBondContact N-OD1 2.84Å; C653-D656 WeakPolarHBondContact O-CB 3.48Å; C653-D656 PolarHBondContact O-N 3.24Å; C653-D656 VanDerWaalsContact O-N 3.14Å; L654-D656 VanDerWaalsContact C-N 3.34Å; D656-F658 VanDerWaalsContact C-N 3.34Å; D656-S659 PolarHBondContact O-N 3.36Å; D656-L660 VanDerWaalsContact O-CB 3.31Å; D656-L660 WeakPolarHBondContact O-CB 3.31Å; D656-L660 PolarHBondContact O-N 2.88Å
657	I	95.2	Very high	87.6	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66	-39	176.7	-57.8	-61.3	0	0	0	110.9	L557 L654 S655 L660 G661 M708 R716 P717 A719	L557-I657 HydrophobicContact CD2-CD1 4.19Å; L654-I657 HydrophobicContact CD2-CG1 4.18Å; L654-I657 WeakPolarHBondContact O-CB 3.26Å; L654-I657 PolarHBondContact O-N 3.35Å; S655-I657 VanDerWaalsContact C-N 3.26Å; S655-I657 PolarHBondContact O-N 3.5Å; I657-L660 PolarHBondContact O-N 2.85Å; I657-G661 PolarHBondContact O-N 3.33Å; I657-M708 HydrophobicContact CG2-CB 3.96Å; I657-M708 HydrophobicContact CG2-CE 4Å; I657-M708 HydrophobicContact CG2-CG 3.81Å; I657-R716 HydrophobicContact CG2-CB 4.15Å; I657-P717 WeakPolarHBondContact CG1-O 3.2Å; I657-P717 HydrophobicContact CG2-CG 4.45Å; I657-P717 VanDerWaalsContact CG2-O 3.29Å; I657-P717 WeakPolarHBondContact CG2-O 3.29Å; I657-A719 HydrophobicContact CD1-CB 3.83Å
658	F	96.9	Very high	88.4	Confident	1 Å²	1	15.1 Å²	15.1	0%	0.004	9%	0.09	C	C	.	.	H	α-helix	trans	-59.5	-49.9	173.2	180	-83.4	0	0	0	111.6	M641 A642 L654 S655 D656 L660 G661 C662 F675 I685 M708 I709	M641-F658 WeakPolarHBondContact O-CE1 3.47Å; A642-F658 VanDerWaalsContact CA-CD1 3.46Å; A642-F658 HydrophobicContact CB-CB 3.76Å; A642-F658 HydrophobicContact CB-CD1 3.91Å; A642-F658 HydrophobicContact CB-CG 3.82Å; L654-F658 PolarHBondContact O-N 3.07Å; S655-F658 WeakPolarHBondContact O-CB 3.35Å; S655-F658 PolarHBondContact O-N 2.94Å; D656-F658 VanDerWaalsContact C-N 3.34Å; F658-L660 VanDerWaalsContact C-N 3.28Å; F658-L660 PolarHBondContact O-N 3.22Å; F658-G661 PolarHBondContact O-N 3.07Å; F658-G661 VanDerWaalsContact O-N 3.14Å; F658-C662 PolarHBondContact O-N 3.17Å; F658-C662 PolarHBondContact O-SG 2.88Å; F658-F675 HydrophobicContact CE1-CE2 4.24Å; F658-F675 AromaticContact CE2-CE2 3.96Å; F658-F675 HydrophobicContact CE2-CE2 3.96Å; F658-F675 AromaticContact CE2-CZ 3.82Å; F658-F675 HydrophobicContact CE2-CZ 3.82Å; F658-F675 HydrophobicContact CZ-CD2 4.3Å; F658-F675 AromaticContact CZ-CE2 3.39Å; F658-F675 HydrophobicContact CZ-CE2 3.39Å; F658-F675 AromaticContact CZ-CZ 3.58Å; F658-F675 HydrophobicContact CZ-CZ 3.58Å; F658-I685 HydrophobicContact CE1-CD1 4.18Å; F658-I685 HydrophobicContact CE1-CG1 4.34Å; F658-I685 HydrophobicContact CE1-CG2 4.15Å; F658-I685 HydrophobicContact CE2-CG2 4.49Å; F658-I685 HydrophobicContact CZ-CB 4.42Å; F658-I685 HydrophobicContact CZ-CD1 4.33Å; F658-I685 HydrophobicContact CZ-CG1 3.99Å; F658-I685 HydrophobicContact CZ-CG2 3.67Å; F658-M708 VanDerWaalsContact CA-O 3.32Å; F658-M708 WeakPolarHBondContact CA-O 3.45Å; F658-I709 HydrophobicContact CD2-CB 4.19Å; F658-I709 HydrophobicContact CE2-CB 4.06Å; F658-I709 WeakPolarHBondContact CE2-O 3.49Å
659	S	95.6	Very high	89.6	Confident	6 Å²	6	14.8 Å²	14.8	4%	0.042	8%	0.084	C	C	.	.	H	α-helix	trans	-61.5	-38.2	177.3	-55.4	0	0	0	0	111.7	L594 W640 S655 D656 C662 L663	L594-S659 WeakPolarHBondContact O-CB 3.4Å; W640-S659 WeakPolarHBondContact O-CB 3.39Å; W640-S659 PolarHBondContact O-OG 3.3Å; S655-S659 PolarHBondContact O-N 3.24Å; S655-S659 PolarHBondContact O-OG 3.32Å; D656-S659 PolarHBondContact O-N 3.36Å; S659-C662 PolarHBondContact O-N 3.5Å; S659-L663 WeakPolarHBondContact O-CB 3.3Å; S659-L663 PolarHBondContact O-N 3.16Å
660	L	97.2	Very high	90.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.8	-40.3	174.4	-173.3	69.1	0	0	0	111.6	T553 T554 L557 L594 D656 I657 F658 C662 L663 Y664 M708	T553-L660 HydrophobicContact CG2-CD1 3.8Å; T554-L660 HydrophobicContact CG2-CD2 3.87Å; L557-L660 HydrophobicContact CD2-CB 4.23Å; L557-L660 HydrophobicContact CD2-CD2 3.82Å; L557-L660 HydrophobicContact CD2-CG 4.45Å; L594-L660 HydrophobicContact CD2-CB 3.75Å; L594-L660 HydrophobicContact CD2-CD1 3.86Å; L594-L660 HydrophobicContact CD2-CG 4.39Å; D656-L660 VanDerWaalsContact O-CB 3.31Å; D656-L660 WeakPolarHBondContact O-CB 3.31Å; D656-L660 PolarHBondContact O-N 2.88Å; I657-L660 PolarHBondContact O-N 2.85Å; F658-L660 VanDerWaalsContact C-N 3.28Å; F658-L660 PolarHBondContact O-N 3.22Å; L660-C662 VanDerWaalsContact C-N 3.35Å; L660-C662 PolarHBondContact O-N 2.92Å; L660-L663 CarbonylContact O-C 3.53Å; L660-L663 WeakPolarHBondContact O-CB 3.48Å; L660-L663 PolarHBondContact O-N 3.43Å; L660-L663 VanDerWaalsContact O-N 3.15Å; L660-Y664 HydrophobicContact CD1-CD2 4.15Å; L660-Y664 HydrophobicContact CD1-CE2 3.78Å; L660-Y664 HydrophobicContact CD2-CE2 3.98Å; L660-Y664 HydrophobicContact CG-CD2 3.95Å; L660-Y664 HydrophobicContact CG-CE2 3.6Å; L660-Y664 WeakPolarHBondContact O-CD2 3.17Å; L660-Y664 PolarHBondContact O-N 3.08Å; L660-M708 HydrophobicContact CB-CE 3.7Å; L660-M708 HydrophobicContact CD2-CE 3.45Å; L660-M708 VanDerWaalsContact CD2-CE 3.45Å; L660-M708 HydrophobicContact CG-CE 3.52Å
661	G	97.8	Very high	92	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.5	-39.8	176.5	0	0	0	0	0	112.4	I657 F658 L663 Y664 H665	I657-G661 PolarHBondContact O-N 3.33Å; F658-G661 PolarHBondContact O-N 3.07Å; F658-G661 VanDerWaalsContact O-N 3.14Å; G661-L663 VanDerWaalsContact C-N 3.34Å; G661-Y664 WeakPolarHBondContact O-CB 3.46Å; G661-Y664 PolarHBondContact O-N 3.1Å; G661-H665 PolarHBondContact O-N 3.41Å; G661-H665 VanDerWaalsContact O-N 3.16Å
662	C	97.7	Very high	93.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.5	-41.1	171.4	-64.9	0	0	0	0	112	W640 F658 S659 L660 H665 Y666 P674	W640-C662 HydrophobicContact CE3-CB 4Å; W640-C662 HydrophobicContact CZ3-CB 3.99Å; F658-C662 PolarHBondContact O-N 3.17Å; F658-C662 PolarHBondContact O-SG 2.88Å; S659-C662 PolarHBondContact O-N 3.5Å; L660-C662 VanDerWaalsContact C-N 3.35Å; L660-C662 PolarHBondContact O-N 2.92Å; C662-H665 PolarHBondContact O-N 2.55Å; C662-Y666 WeakPolarHBondContact O-CB 3.48Å; C662-Y666 PolarHBondContact O-N 2.98Å; C662-P674 HydrophobicContact CB-CG 4.26Å
663	L	97.2	Very high	94.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.6	-38	176.2	-174.8	151.7	0	0	0	112.2	L529 L550 V599 W640 S659 L660 G661 Y666 V667	L529-L663 HydrophobicContact CD2-CD1 3.94Å; L529-L663 HydrophobicContact CD2-CD2 3.79Å; L529-L663 HydrophobicContact CD2-CG 3.93Å; L550-L663 HydrophobicContact CD2-CD2 3.71Å; V599-L663 HydrophobicContact CG2-CD1 3.8Å; W640-L663 HydrophobicContact CZ3-CB 4.45Å; S659-L663 WeakPolarHBondContact O-CB 3.3Å; S659-L663 PolarHBondContact O-N 3.16Å; L660-L663 CarbonylContact O-C 3.53Å; L660-L663 WeakPolarHBondContact O-CB 3.48Å; L660-L663 PolarHBondContact O-N 3.43Å; L660-L663 VanDerWaalsContact O-N 3.15Å; G661-L663 VanDerWaalsContact C-N 3.34Å; L663-Y666 PolarHBondContact O-N 3.11Å; L663-V667 HydrophobicContact CD2-CG2 4.11Å; L663-V667 WeakPolarHBondContact O-CG2 3.49Å; L663-V667 PolarHBondContact O-N 3.07Å
664	Y	97.5	Very high	94.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-58.3	-51.3	173.9	-89.7	-134.9	0	0	0	111.2	L550 T554 L660 G661 Y666 V667 L668 L704 I705 M708 F727 F728	L550-Y664 HydrophobicContact CB-CD2 4.26Å; L550-Y664 HydrophobicContact CB-CE1 4.24Å; L550-Y664 HydrophobicContact CB-CE2 3.92Å; L550-Y664 HydrophobicContact CD1-CD1 3.86Å; L550-Y664 HydrophobicContact CD1-CD2 4.23Å; L550-Y664 HydrophobicContact CD1-CE1 4.29Å; L550-Y664 HydrophobicContact CD1-CG 3.84Å; L550-Y664 HydrophobicContact CD2-CD2 3.58Å; L550-Y664 HydrophobicContact CD2-CE2 4Å; L550-Y664 HydrophobicContact CD2-CG 3.99Å; L550-Y664 HydrophobicContact CG-CD2 4.21Å; L550-Y664 HydrophobicContact CG-CE2 4.38Å; L550-Y664 HydrophobicContact CG-CG 4.33Å; T554-Y664 PolarHBondContact OG1-OH 2.63Å; L660-Y664 HydrophobicContact CD1-CD2 4.15Å; L660-Y664 HydrophobicContact CD1-CE2 3.78Å; L660-Y664 HydrophobicContact CD2-CE2 3.98Å; L660-Y664 HydrophobicContact CG-CD2 3.95Å; L660-Y664 HydrophobicContact CG-CE2 3.6Å; L660-Y664 WeakPolarHBondContact O-CD2 3.17Å; L660-Y664 PolarHBondContact O-N 3.08Å; G661-Y664 WeakPolarHBondContact O-CB 3.46Å; G661-Y664 PolarHBondContact O-N 3.1Å; Y664-Y666 VanDerWaalsContact C-N 3.35Å; Y664-Y666 PolarHBondContact O-N 3.1Å; Y664-V667 PolarHBondContact O-N 3.04Å; Y664-L668 WeakPolarHBondContact O-CB 3.32Å; Y664-L668 VanDerWaalsContact O-CG 3.29Å; Y664-L668 WeakPolarHBondContact O-CG 3.41Å; Y664-L668 PolarHBondContact O-N 3.44Å; Y664-L704 HydrophobicContact CD1-CD2 4.36Å; Y664-L704 HydrophobicContact CE1-CD2 3.73Å; Y664-I705 HydrophobicContact CD1-CG1 4.32Å; Y664-M708 HydrophobicContact CD1-SD 4.39Å; Y664-M708 HydrophobicContact CD2-CE 4.49Å; Y664-M708 HydrophobicContact CE1-SD 4.31Å; Y664-M708 HydrophobicContact CE2-CE 4.3Å; Y664-F727 HydrophobicContact CD1-CE1 4.3Å; Y664-F727 HydrophobicContact CE1-CD1 4.25Å; Y664-F727 AromaticContact CE1-CE1 4Å; Y664-F727 HydrophobicContact CE1-CE1 4Å; Y664-F728 HydrophobicContact CE1-CE2 4.17Å; Y664-F728 AromaticContact CE1-CZ 3.88Å; Y664-F728 HydrophobicContact CE1-CZ 3.88Å; Y664-F728 AromaticContact CZ-CZ 3.82Å; Y664-F728 WeakPolarHBondContact OH-CE2 3.46Å; Y664-F728 WeakPolarHBondContact OH-CZ 3.3Å
665	H	96.9	Very high	95.2	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.009	7%	0.074	C	C	.	.	H	α-helix	trans	-57.4	-49.5	176.5	-174.7	-81.4	0	0	0	110.9	G661 C662 V667 L668 T669 E672 P674 T691 L692 I697 I705	G661-H665 PolarHBondContact O-N 3.41Å; G661-H665 VanDerWaalsContact O-N 3.16Å; C662-H665 PolarHBondContact O-N 2.55Å; H665-V667 VanDerWaalsContact C-N 3.3Å; H665-V667 PolarHBondContact O-N 3.16Å; H665-L668 PolarHBondContact O-N 2.84Å; H665-L668 VanDerWaalsContact O-N 3.13Å; H665-T669 WeakPolarHBondContact CE1-CG2 2.97Å; H665-T669 WeakPolarHBondContact O-CG2 3.12Å; H665-T669 PolarHBondContact O-N 3.49Å; H665-T669 PolarHBondContact O-OG1 3.27Å; H665-E672 PolarHBondContact ND1-O 3.07Å; H665-P674 HydrophobicContact CB-CB 4.32Å; H665-P674 HydrophobicContact CB-CG 4.05Å; H665-T691 PolarHBondContact NE2-O 2.93Å; H665-L692 VanDerWaalsContact CD2-CD2 3.48Å; H665-L692 WeakPolarHBondContact CD2-CD2 3.36Å; H665-I697 VanDerWaalsContact CD2-CD1 3.47Å; H665-I697 WeakPolarHBondContact CD2-CD1 3.15Å; H665-I705 HydrophobicContact CB-CD1 4.27Å; H665-I705 HydrophobicContact CB-CG2 4.38Å
666	Y	96.3	Very high	95.2	Very high	12 Å²	12	14.2 Å²	14.2	5%	0.047	9%	0.09	C	C	.	.	H	α-helix	trans	-53.8	-42.3	178.8	179.7	-95.5	0	0	0	113.7	V533 E534 P596 W640 C662 L663 Y664 T670 G671 E672	V533-Y666 HydrophobicContact CB-CD1 4.39Å; V533-Y666 HydrophobicContact CB-CE1 3.59Å; V533-Y666 HydrophobicContact CG1-CD1 4.16Å; V533-Y666 HydrophobicContact CG1-CE1 3.56Å; V533-Y666 HydrophobicContact CG2-CD1 4.17Å; V533-Y666 HydrophobicContact CG2-CE1 3.75Å; E534-Y666 WeakPolarHBondContact CG-OH 3.33Å; E534-Y666 PolarHBondContact OE1-OH 3.34Å; P596-Y666 HydrophobicContact CB-CD1 4.13Å; P596-Y666 HydrophobicContact CB-CE1 3.78Å; P596-Y666 HydrophobicContact CG-CD1 3.57Å; P596-Y666 HydrophobicContact CG-CE1 3.66Å; P596-Y666 HydrophobicContact CG-CG 4.11Å; W640-Y666 HydrophobicContact CH2-CD2 4.09Å; W640-Y666 HydrophobicContact CH2-CG 4.06Å; C662-Y666 WeakPolarHBondContact O-CB 3.48Å; C662-Y666 PolarHBondContact O-N 2.98Å; L663-Y666 PolarHBondContact O-N 3.11Å; Y664-Y666 VanDerWaalsContact C-N 3.35Å; Y664-Y666 PolarHBondContact O-N 3.1Å; Y666-T670 PolarHBondContact O-N 3.34Å; Y666-G671 VanDerWaalsContact CD2-C 3.48Å; Y666-G671 WeakPolarHBondContact CD2-O 3.47Å; Y666-G671 VanDerWaalsContact CE2-CA 3.45Å; Y666-G671 VanDerWaalsContact CE2-O 3.24Å; Y666-G671 WeakPolarHBondContact CE2-O 3.45Å; Y666-G671 PolarHBondContact O-N 2.68Å; Y666-E672 VanDerWaalsContact CA-O 3.24Å; Y666-E672 WeakPolarHBondContact CA-O 3.17Å
667	V	95.4	Very high	95	Very high	8 Å²	8	21 Å²	21	5%	0.048	12%	0.121	C	C	.	.	H	α-helix	trans	-72.6	-41.8	178.3	171	0	0	0	0	111.7	L529 V533 P546 L549 L550 L663 Y664 H665 T670	L529-V667 HydrophobicContact CD1-CG2 4.04Å; L529-V667 HydrophobicContact CD2-CG2 3.77Å; L529-V667 HydrophobicContact CG-CG2 4.2Å; V533-V667 HydrophobicContact CG2-CG2 4.3Å; P546-V667 HydrophobicContact CB-CG1 3.93Å; L549-V667 HydrophobicContact CD2-CG1 4.47Å; L549-V667 HydrophobicContact CD2-CG2 4.16Å; L550-V667 HydrophobicContact CD1-CG1 4.43Å; L550-V667 HydrophobicContact CD2-CB 3.91Å; L550-V667 HydrophobicContact CD2-CG1 4.1Å; L550-V667 HydrophobicContact CD2-CG2 3.94Å; L550-V667 HydrophobicContact CG-CB 4.46Å; L550-V667 HydrophobicContact CG-CG1 4.19Å; L663-V667 HydrophobicContact CD2-CG2 4.11Å; L663-V667 WeakPolarHBondContact O-CG2 3.49Å; L663-V667 PolarHBondContact O-N 3.07Å; Y664-V667 PolarHBondContact O-N 3.04Å; H665-V667 VanDerWaalsContact C-N 3.3Å; H665-V667 PolarHBondContact O-N 3.16Å; V667-T670 PolarHBondContact O-N 3.35Å
668	L	94.7	Very high	94.4	Very high	37 Å²	37	24 Å²	24	19%	0.194	15%	0.146	C	C	.	.	H	α-helix	trans	-73.5	-30.3	-177.3	-64.9	178.6	0	0	0	113	P546 L550 Y664 H665 I697 I705 F727	P546-L668 HydrophobicContact CB-CD2 4.04Å; L550-L668 HydrophobicContact CD1-CD1 4.34Å; L550-L668 HydrophobicContact CD1-CD2 4.01Å; L550-L668 HydrophobicContact CD1-CG 4Å; Y664-L668 WeakPolarHBondContact O-CB 3.32Å; Y664-L668 VanDerWaalsContact O-CG 3.29Å; Y664-L668 WeakPolarHBondContact O-CG 3.41Å; Y664-L668 PolarHBondContact O-N 3.44Å; H665-L668 PolarHBondContact O-N 2.84Å; H665-L668 VanDerWaalsContact O-N 3.13Å; L668-I697 HydrophobicContact CB-CD1 4.36Å; L668-I697 HydrophobicContact CB-CG1 4.08Å; L668-I697 HydrophobicContact CD1-CG2 3.89Å; L668-I705 HydrophobicContact CD1-CD1 3.97Å; L668-F727 HydrophobicContact CD1-CE2 4.11Å; L668-F727 HydrophobicContact CD1-CZ 3.97Å; L668-F727 HydrophobicContact CD2-CZ 4.3Å
669	T	93.4	Very high	93.3	Very high	13 Å²	13	26.5 Å²	26.5	8%	0.08	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-1.7	175.5	61.5	0	0	0	0	113.5	H665 E672 L696 I697	H665-T669 WeakPolarHBondContact CE1-CG2 2.97Å; H665-T669 WeakPolarHBondContact O-CG2 3.12Å; H665-T669 PolarHBondContact O-N 3.49Å; H665-T669 PolarHBondContact O-OG1 3.27Å; T669-E672 HydrophobicContact CG2-CB 4.49Å; T669-E672 WeakPolarHBondContact OG1-CB 3.36Å; T669-E672 PolarHBondContact OG1-N 3.03Å; T669-E672 VanDerWaalsContact OG1-N 3.09Å; T669-E672 PolarHBondContact OG1-O 3.21Å; T669-L696 HydrophobicContact CG2-CB 4.43Å; T669-L696 HydrophobicContact CG2-CD1 3.99Å; T669-I697 HydrophobicContact CG2-CD1 4Å; T669-I697 HydrophobicContact CG2-CG1 4.29Å
670	T	92.8	Very high	92.7	Very high	63 Å²	63	29.8 Å²	29.8	39%	0.387	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	44.4	-176.6	-44.7	0	0	0	0	112.7	V533 Y666 V667	V533-T670 VanDerWaalsContact CG1-C 3.42Å; V533-T670 HydrophobicContact CG1-CG2 4.3Å; Y666-T670 PolarHBondContact O-N 3.34Å; V667-T670 PolarHBondContact O-N 3.35Å
671	G	91.7	Very high	92.3	Very high	27 Å²	27	32 Å²	32	28%	0.278	19%	0.193	S	C	.	.	S	Bend	trans	129.4	-9.8	166.8	0	0	0	0	0	116.3	Y666	Y666-G671 VanDerWaalsContact CD2-C 3.48Å; Y666-G671 WeakPolarHBondContact CD2-O 3.47Å; Y666-G671 VanDerWaalsContact CE2-CA 3.45Å; Y666-G671 VanDerWaalsContact CE2-O 3.24Å; Y666-G671 WeakPolarHBondContact CE2-O 3.45Å; Y666-G671 PolarHBondContact O-N 2.68Å
672	E	93.8	Very high	91.8	Very high	78 Å²	78	34.4 Å²	34.4	36%	0.364	20%	0.204	S	C	.	.			trans	-87	146.5	-178.4	-54.1	179	149.9	0	0	112.3	H665 Y666 T669 Q693	H665-E672 PolarHBondContact ND1-O 3.07Å; Y666-E672 VanDerWaalsContact CA-O 3.24Å; Y666-E672 WeakPolarHBondContact CA-O 3.17Å; T669-E672 HydrophobicContact CG2-CB 4.49Å; T669-E672 WeakPolarHBondContact OG1-CB 3.36Å; T669-E672 PolarHBondContact OG1-N 3.03Å; T669-E672 VanDerWaalsContact OG1-N 3.09Å; T669-E672 PolarHBondContact OG1-O 3.21Å; E672-Q693 PolarHBondContact OE1-NE2 2.77Å; E672-Q693 PolarHBondContact OE2-NE2 2.8Å; E672-Q693 PolarHBondContact OE2-OE1 2.88Å
673	H	95.3	Very high	91.1	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.046	22%	0.22	C	C	.	.			trans	-101.8	141.6	178.2	-165.4	-92.7	0	0	0	110.7	G639 W640 F675 G676 R681	G639-H673 PolarHBondContact O-CE1 3.16Å; G639-H673 PolarHBondContact O-NE2 3.46Å; W640-H673 AromaticContact CE3-NE2 3.99Å; W640-H673 AromaticContact CH2-CD2 3.85Å; W640-H673 AromaticContact CZ3-CD2 3.91Å; H673-F675 AromaticContact CE1-CD2 3.66Å; H673-F675 AromaticContact ND1-CD2 3.97Å; H673-F675 PolarHBondContact ND1-N 2.92Å; H673-F675 PolarHBondContact O-N 2.77Å; H673-F675 VanDerWaalsContact O-N 3.14Å; H673-G676 PolarHBondContact O-N 3.22Å; H673-R681 HydrophobicContact CB-CG 4.44Å
674	P	96.2	Very high	90.8	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.013	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-27	-176.8	21.6	-29.4	0	0	0	112.3	C662 H665 F690 T691 L692 I709	C662-P674 HydrophobicContact CB-CG 4.26Å; H665-P674 HydrophobicContact CB-CB 4.32Å; H665-P674 HydrophobicContact CB-CG 4.05Å; P674-F690 HydrophobicContact CB-CB 4.38Å; P674-F690 CarbonylContact O-C 3.52Å; P674-F690 WeakPolarHBondContact O-CA 3.45Å; P674-F690 WeakPolarHBondContact O-CB 3.35Å; P674-T691 PolarHBondContact O-N 3.33Å; P674-L692 HydrophobicContact CB-CD2 4.02Å; P674-I709 HydrophobicContact CB-CD1 3.97Å; P674-I709 HydrophobicContact CG-CD1 4.31Å
675	F	95.9	Very high	90.5	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.018	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	19.2	176.5	-60.8	-87.9	0	0	0	114	F658 H673 R681 N684 I685 N689 F690 I709	F658-F675 HydrophobicContact CE1-CE2 4.24Å; F658-F675 AromaticContact CE2-CE2 3.96Å; F658-F675 HydrophobicContact CE2-CE2 3.96Å; F658-F675 AromaticContact CE2-CZ 3.82Å; F658-F675 HydrophobicContact CE2-CZ 3.82Å; F658-F675 HydrophobicContact CZ-CD2 4.3Å; F658-F675 AromaticContact CZ-CE2 3.39Å; F658-F675 HydrophobicContact CZ-CE2 3.39Å; F658-F675 AromaticContact CZ-CZ 3.58Å; F658-F675 HydrophobicContact CZ-CZ 3.58Å; H673-F675 AromaticContact CE1-CD2 3.66Å; H673-F675 AromaticContact ND1-CD2 3.97Å; H673-F675 PolarHBondContact ND1-N 2.92Å; H673-F675 PolarHBondContact O-N 2.77Å; H673-F675 VanDerWaalsContact O-N 3.14Å; F675-R681 HydrophobicContact CB-CG 4.41Å; F675-N684 HydrophobicContact CB-CB 3.9Å; F675-N684 HydrophobicContact CD1-CB 4.07Å; F675-N684 HydrophobicContact CG-CB 4.49Å; F675-N684 PolarHBondContact O-ND2 3.39Å; F675-I685 HydrophobicContact CB-CG1 3.96Å; F675-I685 HydrophobicContact CD1-CB 4.29Å; F675-I685 HydrophobicContact CD1-CG1 3.68Å; F675-I685 HydrophobicContact CD2-CD1 4.31Å; F675-I685 HydrophobicContact CD2-CG1 3.6Å; F675-I685 HydrophobicContact CE1-CB 4.4Å; F675-I685 HydrophobicContact CE1-CG1 4.03Å; F675-I685 HydrophobicContact CE2-CG1 3.97Å; F675-I685 HydrophobicContact CG-CD1 4.43Å; F675-I685 HydrophobicContact CG-CG1 3.45Å; F675-I685 VanDerWaalsContact CG-CG1 3.45Å; F675-I685 HydrophobicContact CZ-CG1 4.18Å; F675-N689 VanDerWaalsContact CD1-O 3.25Å; F675-N689 WeakPolarHBondContact CD1-O 3.45Å; F675-F690 HydrophobicContact CD1-CB 3.87Å; F675-F690 HydrophobicContact CE1-CB 3.72Å; F675-F690 HydrophobicContact CE1-CD1 4.31Å; F675-F690 HydrophobicContact CE1-CG 4.46Å; F675-F690 HydrophobicContact CE2-CB 4.48Å; F675-F690 HydrophobicContact CG-CB 4.33Å; F675-F690 HydrophobicContact CZ-CB 4.04Å; F675-F690 HydrophobicContact CZ-CD1 4.48Å; F675-I709 HydrophobicContact CE2-CB 4.29Å; F675-I709 HydrophobicContact CE2-CD1 4.32Å; F675-I709 HydrophobicContact CZ-CB 4.41Å; F675-I709 HydrophobicContact CZ-CD1 4.42Å
676	G	91	Very high	90.1	Very high	34 Å²	34	41.9 Å²	41.9	35%	0.351	25%	0.247	S	C	.	.			trans	80.5	-149.9	171.9	0	0	0	0	0	115.5	H673 R681	H673-G676 PolarHBondContact O-N 3.22Å; G676-R681 VanDerWaalsContact O-CG 3.28Å; G676-R681 WeakPolarHBondContact O-CG 3.14Å; G676-R681 PolarHBondContact O-NE 2.87Å
677	E	86.4	Confident	89.8	Confident	143 Å²	143	46.8 Å²	46.8	67%	0.668	28%	0.278	S	S	*	.	S	Bend	trans	-71.6	150.6	-173.8	-71.4	-58.7	151.3	0	0	114	A679 L680 R681	E677-A679 VanDerWaalsContact C-N 3.26Å; E677-A679 PolarHBondContact O-N 3.12Å; E677-A679 VanDerWaalsContact O-N 3.08Å; E677-L680 PolarHBondContact O-N 3.08Å; E677-R681 WeakPolarHBondContact O-CG 3.42Å; E677-R681 PolarHBondContact O-N 3.01Å
678	A	82.8	Confident	89.5	Confident	63 Å²	63	47.4 Å²	47.4	52%	0.521	29%	0.287	S	S	.	.	H	α-helix	trans	-49.3	-42.7	-171.4	0	0	0	0	0	114.3	L680 R681	A678-L680 VanDerWaalsContact C-N 3.31Å; A678-L680 PolarHBondContact O-N 3.45Å; A678-R681 VanDerWaalsContact CA-CZ 3.42Å
679	A	73.2	Confident	89.4	Confident	55 Å²	55	50 Å²	50	46%	0.455	30%	0.3	S	S	.	.	H	α-helix	trans	-68.1	-24.1	-179.1	0	0	0	0	0	114.2	E677	E677-A679 VanDerWaalsContact C-N 3.26Å; E677-A679 PolarHBondContact O-N 3.12Å; E677-A679 VanDerWaalsContact O-N 3.08Å
680	L	83.5	Confident	89.4	Confident	74 Å²	74	53.3 Å²	53.3	39%	0.387	31%	0.314	S	S	.	.	H	α-helix	trans	-108.5	-12.5	-178.3	-61.8	179.2	0	0	0	112.9	E677 A678 Q682 S683 N684	E677-L680 PolarHBondContact O-N 3.08Å; A678-L680 VanDerWaalsContact C-N 3.31Å; A678-L680 PolarHBondContact O-N 3.45Å; L680-Q682 PolarHBondContact O-N 3.15Å; L680-S683 PolarHBondContact O-N 3.44Å; L680-S683 VanDerWaalsContact O-N 3.15Å; L680-N684 WeakPolarHBondContact O-CB 3.34Å; L680-N684 PolarHBondContact O-N 2.65Å
681	R	89.8	Confident	89.5	Confident	48 Å²	48	54.7 Å²	54.7	18%	0.181	32%	0.323	C	S	.	.	H	α-helix	trans	-48.7	-53.5	-175.2	-84.5	171.5	-153.5	154.3	5.8	112.6	H673 F675 G676 E677 A678 S683 N684 I685	H673-R681 HydrophobicContact CB-CG 4.44Å; F675-R681 HydrophobicContact CB-CG 4.41Å; G676-R681 VanDerWaalsContact O-CG 3.28Å; G676-R681 WeakPolarHBondContact O-CG 3.14Å; G676-R681 PolarHBondContact O-NE 2.87Å; E677-R681 WeakPolarHBondContact O-CG 3.42Å; E677-R681 PolarHBondContact O-N 3.01Å; A678-R681 VanDerWaalsContact CA-CZ 3.42Å; R681-S683 VanDerWaalsContact C-N 3.34Å; R681-S683 PolarHBondContact O-N 3.25Å; R681-N684 PolarHBondContact O-N 2.93Å; R681-I685 VanDerWaalsContact O-CG1 3.23Å; R681-I685 WeakPolarHBondContact O-CG1 3.47Å; R681-I685 PolarHBondContact O-N 3.46Å
682	Q	85.3	Confident	89.4	Confident	49 Å²	49	54.5 Å²	54.5	23%	0.229	32%	0.315	C	S	.	.	H	α-helix	trans	-65.8	-38	-174.9	-168.6	150.7	-56.3	0	0	112.5	E638 I646 L680 I685 L686	E638-Q682 VanDerWaalsContact CA-OE1 3.23Å; E638-Q682 VanDerWaalsContact CB-OE1 3.25Å; I646-Q682 HydrophobicContact CD1-CG 3.89Å; I646-Q682 HydrophobicContact CG1-CG 4.37Å; I646-Q682 HydrophobicContact CG2-CG 4.25Å; L680-Q682 PolarHBondContact O-N 3.15Å; Q682-I685 PolarHBondContact O-N 3.36Å; Q682-L686 WeakPolarHBondContact O-CG 3.44Å; Q682-L686 PolarHBondContact O-N 3.17Å; Q682-L686 VanDerWaalsContact O-N 3.15Å
683	S	83.1	Confident	88.8	Confident	50 Å²	50	54 Å²	54	35%	0.35	31%	0.312	S	S	.	.	H	α-helix	trans	-64.6	-44.1	173.3	-175.4	0	0	0	0	111.5	L680 R681 I685 L686 V687	L680-S683 PolarHBondContact O-N 3.44Å; L680-S683 VanDerWaalsContact O-N 3.15Å; R681-S683 VanDerWaalsContact C-N 3.34Å; R681-S683 PolarHBondContact O-N 3.25Å; S683-I685 VanDerWaalsContact C-N 3.33Å; S683-I685 PolarHBondContact O-N 3.04Å; S683-L686 PolarHBondContact O-N 2.9Å; S683-V687 WeakPolarHBondContact O-CG2 3.46Å; S683-V687 PolarHBondContact O-N 2.58Å; S683-V687 VanDerWaalsContact O-N 3.08Å
684	N	91.3	Very high	88	Confident	32 Å²	32	60.1 Å²	60.1	17%	0.171	34%	0.341	C	S	.	.	H	α-helix	trans	-63.5	-38.3	178.2	-78.6	-20.1	0	0	0	111.8	F675 L680 R681 V687 G688 N689	F675-N684 HydrophobicContact CB-CB 3.9Å; F675-N684 HydrophobicContact CD1-CB 4.07Å; F675-N684 HydrophobicContact CG-CB 4.49Å; F675-N684 PolarHBondContact O-ND2 3.39Å; L680-N684 WeakPolarHBondContact O-CB 3.34Å; L680-N684 PolarHBondContact O-N 2.65Å; R681-N684 PolarHBondContact O-N 2.93Å; N684-V687 PolarHBondContact O-N 3.25Å; N684-G688 PolarHBondContact O-N 2.97Å; N684-N689 HydrophobicContact CB-CB 4.46Å; N684-N689 WeakPolarHBondContact CB-O 3.48Å; N684-N689 PolarHBondContact O-N 2.84Å
685	I	91.6	Very high	87.2	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-60.4	-47.2	173.9	-68.6	166.4	0	0	0	110.9	G639 P643 I646 F658 F675 R681 Q682 S683 V687 G688	G639-I685 WeakPolarHBondContact O-CD1 3.41Å; P643-I685 HydrophobicContact CB-CG2 4.14Å; I646-I685 HydrophobicContact CD1-CB 4.21Å; I646-I685 HydrophobicContact CD1-CG2 3.64Å; F658-I685 HydrophobicContact CE1-CD1 4.18Å; F658-I685 HydrophobicContact CE1-CG1 4.34Å; F658-I685 HydrophobicContact CE1-CG2 4.15Å; F658-I685 HydrophobicContact CE2-CG2 4.49Å; F658-I685 HydrophobicContact CZ-CB 4.42Å; F658-I685 HydrophobicContact CZ-CD1 4.33Å; F658-I685 HydrophobicContact CZ-CG1 3.99Å; F658-I685 HydrophobicContact CZ-CG2 3.67Å; F675-I685 HydrophobicContact CB-CG1 3.96Å; F675-I685 HydrophobicContact CD1-CB 4.29Å; F675-I685 HydrophobicContact CD1-CG1 3.68Å; F675-I685 HydrophobicContact CD2-CD1 4.31Å; F675-I685 HydrophobicContact CD2-CG1 3.6Å; F675-I685 HydrophobicContact CE1-CB 4.4Å; F675-I685 HydrophobicContact CE1-CG1 4.03Å; F675-I685 HydrophobicContact CE2-CG1 3.97Å; F675-I685 HydrophobicContact CG-CD1 4.43Å; F675-I685 HydrophobicContact CG-CG1 3.45Å; F675-I685 VanDerWaalsContact CG-CG1 3.45Å; F675-I685 HydrophobicContact CZ-CG1 4.18Å; R681-I685 VanDerWaalsContact O-CG1 3.23Å; R681-I685 WeakPolarHBondContact O-CG1 3.47Å; R681-I685 PolarHBondContact O-N 3.46Å; Q682-I685 PolarHBondContact O-N 3.36Å; S683-I685 VanDerWaalsContact C-N 3.33Å; S683-I685 PolarHBondContact O-N 3.04Å; I685-V687 VanDerWaalsContact C-N 3.3Å; I685-V687 PolarHBondContact O-N 3.43Å; I685-G688 PolarHBondContact O-N 2.86Å
686	L	89.1	Confident	86.4	Confident	76 Å²	76	73.2 Å²	73.2	40%	0.398	40%	0.404	S	S	.	.	H	α-helix	trans	-63.8	-34.5	-179.8	-75.8	173.6	0	0	0	113.2	I646 K647 Q682 S683	I646-L686 HydrophobicContact CB-CD2 3.93Å; I646-L686 HydrophobicContact CD1-CD2 4.48Å; I646-L686 HydrophobicContact CD1-CG 4.45Å; I646-L686 HydrophobicContact CG2-CD1 3.89Å; I646-L686 HydrophobicContact CG2-CD2 3.69Å; I646-L686 HydrophobicContact CG2-CG 3.97Å; K647-L686 HydrophobicContact CG-CD2 3.93Å; Q682-L686 WeakPolarHBondContact O-CG 3.44Å; Q682-L686 PolarHBondContact O-N 3.17Å; Q682-L686 VanDerWaalsContact O-N 3.15Å; S683-L686 PolarHBondContact O-N 2.9Å
687	V	89.2	Confident	86.1	Confident	115 Å²	115	71.8 Å²	71.8	70%	0.697	39%	0.389	S	S	*	.	H	α-helix	trans	-86.1	-14.7	178.6	179.7	0	0	0	0	112.1	S683 N684 I685	S683-V687 WeakPolarHBondContact O-CG2 3.46Å; S683-V687 PolarHBondContact O-N 2.58Å; S683-V687 VanDerWaalsContact O-N 3.08Å; N684-V687 PolarHBondContact O-N 3.25Å; I685-V687 VanDerWaalsContact C-N 3.3Å; I685-V687 PolarHBondContact O-N 3.43Å
688	G	90.5	Very high	86.2	Confident	22 Å²	22	71.7 Å²	71.7	23%	0.227	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	22.4	-175.4	0	0	0	0	0	114.1	N684 I685 F690	N684-G688 PolarHBondContact O-N 2.97Å; I685-G688 PolarHBondContact O-N 2.86Å; G688-F690 WeakPolarHBondContact O-CD1 3.47Å
689	N	91.7	Very high	86.6	Confident	90 Å²	90	71.2 Å²	71.2	48%	0.481	38%	0.376	S	S	.	.			trans	-91.4	104.9	-178	-177.1	25.3	0	0	0	111.5	F675 N684	F675-N689 VanDerWaalsContact CD1-O 3.25Å; F675-N689 WeakPolarHBondContact CD1-O 3.45Å; N684-N689 HydrophobicContact CB-CB 4.46Å; N684-N689 WeakPolarHBondContact CB-O 3.48Å; N684-N689 PolarHBondContact O-N 2.84Å
690	F	94.3	Very high	87.6	Confident	84 Å²	84	69.4 Å²	69.4	37%	0.368	36%	0.357	S	S	.	.			trans	-134.1	165	-179.7	68	-90.9	0	0	0	112.8	P674 F675 G688 L692 I709	P674-F690 HydrophobicContact CB-CB 4.38Å; P674-F690 CarbonylContact O-C 3.52Å; P674-F690 WeakPolarHBondContact O-CA 3.45Å; P674-F690 WeakPolarHBondContact O-CB 3.35Å; F675-F690 HydrophobicContact CD1-CB 3.87Å; F675-F690 HydrophobicContact CE1-CB 3.72Å; F675-F690 HydrophobicContact CE1-CD1 4.31Å; F675-F690 HydrophobicContact CE1-CG 4.46Å; F675-F690 HydrophobicContact CE2-CB 4.48Å; F675-F690 HydrophobicContact CG-CB 4.33Å; F675-F690 HydrophobicContact CZ-CB 4.04Å; F675-F690 HydrophobicContact CZ-CD1 4.48Å; G688-F690 WeakPolarHBondContact O-CD1 3.47Å; F690-L692 HydrophobicContact CD2-CD1 4.41Å; F690-L692 HydrophobicContact CD2-CD2 4.25Å; F690-L692 HydrophobicContact CD2-CG 3.89Å; F690-L692 HydrophobicContact CE2-CD1 3.95Å; F690-L692 HydrophobicContact CE2-CG 3.89Å; F690-I709 HydrophobicContact CB-CD1 4.28Å; F690-I709 HydrophobicContact CD1-CD1 4.35Å; F690-I709 HydrophobicContact CD2-CD1 3.7Å; F690-I709 HydrophobicContact CE2-CD1 4.07Å; F690-I709 HydrophobicContact CG-CD1 3.86Å
691	T	93.2	Very high	88.1	Confident	92 Å²	92	65.9 Å²	65.9	56%	0.564	34%	0.339	S	S	*	.			trans	-135	132.2	175.2	-59.6	0	0	0	0	109.9	H665 P674	H665-T691 PolarHBondContact NE2-O 2.93Å; P674-T691 PolarHBondContact O-N 3.33Å
692	L	90.9	Very high	88.4	Confident	22 Å²	22	66.3 Å²	66.3	12%	0.115	34%	0.341	C	S	.	.			trans	-117.3	106.5	174	-56.2	179.8	0	0	0	108.6	H665 P674 F690 E694 R702 I705 I709	H665-L692 VanDerWaalsContact CD2-CD2 3.48Å; H665-L692 WeakPolarHBondContact CD2-CD2 3.36Å; P674-L692 HydrophobicContact CB-CD2 4.02Å; F690-L692 HydrophobicContact CD2-CD1 4.41Å; F690-L692 HydrophobicContact CD2-CD2 4.25Å; F690-L692 HydrophobicContact CD2-CG 3.89Å; F690-L692 HydrophobicContact CE2-CD1 3.95Å; F690-L692 HydrophobicContact CE2-CG 3.89Å; L692-E694 PolarHBondContact O-N 3.04Å; L692-R702 HydrophobicContact CB-CG 4.49Å; L692-I705 HydrophobicContact CD1-CB 4.43Å; L692-I705 HydrophobicContact CD1-CG2 4.2Å; L692-I705 HydrophobicContact CD2-CB 4.45Å; L692-I705 HydrophobicContact CD2-CG2 3.56Å; L692-I709 HydrophobicContact CD2-CD1 4.07Å
693	Q	81.1	Confident	88.8	Confident	67 Å²	67	64.9 Å²	64.9	31%	0.313	34%	0.335	S	S	.	.			trans	-67.5	118	-171.1	-60.6	-168.5	0.1	0	0	112.7	E672 Q695 L696 I697	E672-Q693 PolarHBondContact OE1-NE2 2.77Å; E672-Q693 PolarHBondContact OE2-NE2 2.8Å; E672-Q693 PolarHBondContact OE2-OE1 2.88Å; Q693-Q695 PolarHBondContact O-N 3.42Å; Q693-L696 HydrophobicContact CB-CB 4.45Å; Q693-L696 HydrophobicContact CB-CG 4.43Å; Q693-L696 PolarHBondContact O-N 3.14Å; Q693-I697 PolarHBondContact O-N 3.33Å
694	E	77.6	Confident	89.5	Confident	140 Å²	140	62.7 Å²	62.7	65%	0.654	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-26.4	-174.9	-39.9	-150.9	129.3	0	0	113.9	L692 R702	L692-E694 PolarHBondContact O-N 3.04Å; E694-R702 VanDerWaalsContact CG-CZ 3.45Å; E694-R702 VanDerWaalsContact CG-NH1 3.27Å; E694-R702 IonicContact OE1-CZ 3.37Å; E694-R702 IonicContact OE1-NH1 2.93Å; E694-R702 PolarHBondContact OE1-NH1 2.89Å; E694-R702 IonicContact OE1-NH2 2.71Å; E694-R702 PolarHBondContact OE1-NH2 3.18Å; E694-R702 IonicContact OE2-NH1 3.19Å
695	Q	78.7	Confident	89.8	Confident	192 Å²	192	61.1 Å²	61.1	90%	0.897	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-26	-174.6	-63.2	-179.6	-6.7	0	0	112.9	Q693	Q693-Q695 PolarHBondContact O-N 3.42Å
696	L	79.6	Confident	90	Very high	88 Å²	88	62 Å²	62	46%	0.461	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-29.5	-176	-61.8	-173.4	0	0	0	112.5	T669 Q693	T669-L696 HydrophobicContact CG2-CB 4.43Å; T669-L696 HydrophobicContact CG2-CD1 3.99Å; Q693-L696 HydrophobicContact CB-CB 4.45Å; Q693-L696 HydrophobicContact CB-CG 4.43Å; Q693-L696 PolarHBondContact O-N 3.14Å
697	I	85.3	Confident	90.3	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.026	32%	0.319	C	S	.	.	S	Bend	trans	-117.1	120.1	-172.3	-50.9	-179.7	0	0	0	109.1	H665 L668 T669 Q693 R702 I705	H665-I697 VanDerWaalsContact CD2-CD1 3.47Å; H665-I697 WeakPolarHBondContact CD2-CD1 3.15Å; L668-I697 HydrophobicContact CB-CD1 4.36Å; L668-I697 HydrophobicContact CB-CG1 4.08Å; L668-I697 HydrophobicContact CD1-CG2 3.89Å; T669-I697 HydrophobicContact CG2-CD1 4Å; T669-I697 HydrophobicContact CG2-CG1 4.29Å; Q693-I697 PolarHBondContact O-N 3.33Å; I697-R702 HydrophobicContact CB-CG 3.77Å; I697-R702 HydrophobicContact CG2-CG 3.69Å; I697-R702 WeakPolarHBondContact O-CD 3.35Å; I697-I705 HydrophobicContact CD1-CD1 4.05Å; I697-I705 HydrophobicContact CG2-CD1 4.28Å
698	Q	88.6	Confident	90.7	Very high	140 Å²	140	56.2 Å²	56.2	65%	0.654	29%	0.286	S	S	*	.			trans	-58.2	156.8	174.4	-65	-178.9	-9.5	0	0	111.3	E700 G701 R702	Q698-E700 WeakPolarHBondContact CB-OE2 3.37Å; Q698-E700 PolarHBondContact O-N 2.89Å; Q698-E700 VanDerWaalsContact O-N 3.15Å; Q698-G701 WeakPolarHBondContact O-CA 3.33Å; Q698-G701 PolarHBondContact O-N 3.41Å; Q698-R702 PolarHBondContact O-N 2.92Å
699	Q	91.8	Very high	91.1	Very high	54 Å²	54	55.2 Å²	55.2	25%	0.252	28%	0.275	S	S	.	.	H	α-helix	trans	-53.8	-41.3	-173.3	-174.6	61.8	24.3	0	0	112.6	G701 R702 D703 L835 M838	Q699-G701 VanDerWaalsContact C-N 3.31Å; Q699-G701 PolarHBondContact O-N 2.84Å; Q699-R702 PolarHBondContact O-N 2.82Å; Q699-D703 WeakPolarHBondContact O-CB 3.39Å; Q699-D703 PolarHBondContact O-N 3.47Å; Q699-L835 HydrophobicContact CG-CD2 3.83Å; Q699-M838 HydrophobicContact CG-CB 4.36Å; Q699-M838 HydrophobicContact CG-CG 4.08Å
700	E	93.7	Very high	91.3	Very high	16 Å²	16	54.2 Å²	54.2	8%	0.075	27%	0.268	C	S	.	.	H	α-helix	trans	-63.8	-35.8	178.3	-54.8	84.4	165.1	0	0	112.2	Q698 L704 H725 P726 F727 L837 M838	Q698-E700 WeakPolarHBondContact CB-OE2 3.37Å; Q698-E700 PolarHBondContact O-N 2.89Å; Q698-E700 VanDerWaalsContact O-N 3.15Å; E700-L704 PolarHBondContact O-N 2.81Å; E700-H725 PolarHBondContact O-CE1 3.18Å; E700-P726 HydrophobicContact CG-CB 4.48Å; E700-F727 HydrophobicContact CB-CB 4.22Å; E700-F727 HydrophobicContact CB-CD2 4.42Å; E700-L837 HydrophobicContact CG-CD2 4.05Å; E700-L837 WeakPolarHBondContact OE1-CD2 3.34Å; E700-M838 HydrophobicContact CB-CG 4.39Å; E700-M838 HydrophobicContact CB-SD 4.01Å; E700-M838 HydrophobicContact CG-CG 3.95Å; E700-M838 HydrophobicContact CG-SD 3.71Å
701	G	94.6	Very high	91.2	Very high	1 Å²	1	53 Å²	53	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-73.1	-40	177.5	0	0	0	0	0	111.9	Q698 Q699 D703 I705 F727	Q698-G701 WeakPolarHBondContact O-CA 3.33Å; Q698-G701 PolarHBondContact O-N 3.41Å; Q699-G701 VanDerWaalsContact C-N 3.31Å; Q699-G701 PolarHBondContact O-N 2.84Å; G701-D703 VanDerWaalsContact C-N 3.35Å; G701-I705 WeakPolarHBondContact O-CB 3.33Å; G701-I705 WeakPolarHBondContact O-CD1 3.37Å; G701-I705 WeakPolarHBondContact O-CG1 3.32Å; G701-I705 PolarHBondContact O-N 3.09Å; G701-F727 VanDerWaalsContact CA-CD2 3.42Å
702	R	95	Very high	91	Very high	56 Å²	56	52.2 Å²	52.2	21%	0.211	26%	0.262	C	S	.	.	H	α-helix	trans	-64.5	-41.4	176.6	-67.2	178.1	66.5	-158.9	2.7	111.8	L692 E694 I697 Q698 Q699 G706	L692-R702 HydrophobicContact CB-CG 4.49Å; E694-R702 VanDerWaalsContact CG-CZ 3.45Å; E694-R702 VanDerWaalsContact CG-NH1 3.27Å; E694-R702 IonicContact OE1-CZ 3.37Å; E694-R702 IonicContact OE1-NH1 2.93Å; E694-R702 PolarHBondContact OE1-NH1 2.89Å; E694-R702 IonicContact OE1-NH2 2.71Å; E694-R702 PolarHBondContact OE1-NH2 3.18Å; E694-R702 IonicContact OE2-NH1 3.19Å; I697-R702 HydrophobicContact CB-CG 3.77Å; I697-R702 HydrophobicContact CG2-CG 3.69Å; I697-R702 WeakPolarHBondContact O-CD 3.35Å; Q698-R702 PolarHBondContact O-N 2.92Å; Q699-R702 PolarHBondContact O-N 2.82Å; R702-G706 PolarHBondContact O-N 3.4Å
703	D	94.9	Very high	90.9	Very high	20 Å²	20	52.2 Å²	52.2	11%	0.107	26%	0.264	C	S	.	.	H	α-helix	trans	-59.3	-54.4	176.9	-155	69.1	0	0	0	110.7	Q699 G701 I705 G706 D707 H725 M838 K842	Q699-D703 WeakPolarHBondContact O-CB 3.39Å; Q699-D703 PolarHBondContact O-N 3.47Å; G701-D703 VanDerWaalsContact C-N 3.35Å; D703-I705 PolarHBondContact O-N 3.38Å; D703-G706 PolarHBondContact O-N 2.94Å; D703-D707 PolarHBondContact O-N 3.34Å; D703-D707 VanDerWaalsContact O-N 3.11Å; D703-H725 IonicContact OD2-NE2 3.77Å; D703-M838 HydrophobicContact CB-CE 3.84Å; D703-M838 WeakPolarHBondContact OD2-CE 3.5Å; D703-K842 WeakPolarHBondContact OD1-CE 3.18Å; D703-K842 IonicContact OD1-NZ 3.83Å; D703-K842 PolarHBondContact OD1-NZ 3Å; D703-K842 WeakPolarHBondContact OD2-CE 3.26Å; D703-K842 IonicContact OD2-NZ 2.82Å; D703-K842 PolarHBondContact OD2-NZ 3.3Å
704	L	96.7	Very high	91.2	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-46.3	-179.9	-179.5	56.6	0	0	0	112.6	Y664 E700 G706 D707 M708 P717 A722 H725 F727 F728	Y664-L704 HydrophobicContact CD1-CD2 4.36Å; Y664-L704 HydrophobicContact CE1-CD2 3.73Å; E700-L704 PolarHBondContact O-N 2.81Å; L704-G706 VanDerWaalsContact C-N 3.32Å; L704-G706 PolarHBondContact O-N 3.14Å; L704-D707 PolarHBondContact O-N 3.11Å; L704-M708 HydrophobicContact CD1-CG 4.09Å; L704-M708 HydrophobicContact CD1-SD 3.89Å; L704-M708 HydrophobicContact CD2-SD 4.39Å; L704-M708 HydrophobicContact CG-CG 4.4Å; L704-M708 HydrophobicContact CG-SD 3.74Å; L704-M708 WeakPolarHBondContact O-CB 3.48Å; L704-M708 WeakPolarHBondContact O-CG 3.35Å; L704-M708 PolarHBondContact O-N 3Å; L704-P717 HydrophobicContact CD1-CG 4.42Å; L704-A722 HydrophobicContact CD1-CB 4.14Å; L704-H725 HydrophobicContact CD1-CB 4.03Å; L704-H725 HydrophobicContact CD2-CB 4.08Å; L704-F727 HydrophobicContact CD2-CB 3.93Å; L704-F727 HydrophobicContact CD2-CD1 3.93Å; L704-F727 HydrophobicContact CD2-CG 4.14Å; L704-F728 HydrophobicContact CD2-CE2 4.12Å
705	I	97.5	Very high	91.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.9	-43	-179.8	-68.8	165.5	0	0	0	110.3	Y664 H665 L668 L692 I697 G701 D703 D707 M708 I709	Y664-I705 HydrophobicContact CD1-CG1 4.32Å; H665-I705 HydrophobicContact CB-CD1 4.27Å; H665-I705 HydrophobicContact CB-CG2 4.38Å; L668-I705 HydrophobicContact CD1-CD1 3.97Å; L692-I705 HydrophobicContact CD1-CB 4.43Å; L692-I705 HydrophobicContact CD1-CG2 4.2Å; L692-I705 HydrophobicContact CD2-CB 4.45Å; L692-I705 HydrophobicContact CD2-CG2 3.56Å; I697-I705 HydrophobicContact CD1-CD1 4.05Å; I697-I705 HydrophobicContact CG2-CD1 4.28Å; G701-I705 WeakPolarHBondContact O-CB 3.33Å; G701-I705 WeakPolarHBondContact O-CD1 3.37Å; G701-I705 WeakPolarHBondContact O-CG1 3.32Å; G701-I705 PolarHBondContact O-N 3.09Å; D703-I705 PolarHBondContact O-N 3.38Å; I705-D707 VanDerWaalsContact C-N 3.32Å; I705-D707 PolarHBondContact O-N 2.68Å; I705-M708 PolarHBondContact O-N 2.9Å; I705-M708 VanDerWaalsContact O-N 3.15Å; I705-I709 HydrophobicContact CG2-CD1 4.1Å; I705-I709 HydrophobicContact CG2-CG2 4.29Å; I705-I709 WeakPolarHBondContact O-CG1 3.26Å; I705-I709 PolarHBondContact O-N 3.49Å
706	G	96.6	Very high	92.5	Very high	19 Å²	19	42.4 Å²	42.4	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-56.4	-45.7	177.3	0	0	0	0	0	112.4	R702 D703 L704 H710	R702-G706 PolarHBondContact O-N 3.4Å; D703-G706 PolarHBondContact O-N 2.94Å; L704-G706 VanDerWaalsContact C-N 3.32Å; L704-G706 PolarHBondContact O-N 3.14Å; G706-H710 PolarHBondContact O-N 3.19Å
707	D	95.7	Very high	93	Very high	69 Å²	69	39.1 Å²	39.1	37%	0.369	21%	0.207	S	C	.	.	H	α-helix	trans	-66.2	-39.4	176.2	-68.3	-11	0	0	0	111.7	D703 L704 I705 H710 R716	D703-D707 PolarHBondContact O-N 3.34Å; D703-D707 VanDerWaalsContact O-N 3.11Å; L704-D707 PolarHBondContact O-N 3.11Å; I705-D707 VanDerWaalsContact C-N 3.32Å; I705-D707 PolarHBondContact O-N 2.68Å; D707-H710 WeakPolarHBondContact O-CB 3.45Å; D707-R716 WeakPolarHBondContact O-CA 3.38Å
708	M	97.5	Very high	93.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.7	-36.6	-179.8	-70.4	174.7	78.1	0	0	113.7	I657 F658 L660 Y664 L704 I705 H710 R716 P717	I657-M708 HydrophobicContact CG2-CB 3.96Å; I657-M708 HydrophobicContact CG2-CE 4Å; I657-M708 HydrophobicContact CG2-CG 3.81Å; F658-M708 VanDerWaalsContact CA-O 3.32Å; F658-M708 WeakPolarHBondContact CA-O 3.45Å; L660-M708 HydrophobicContact CB-CE 3.7Å; L660-M708 HydrophobicContact CD2-CE 3.45Å; L660-M708 VanDerWaalsContact CD2-CE 3.45Å; L660-M708 HydrophobicContact CG-CE 3.52Å; Y664-M708 HydrophobicContact CD1-SD 4.39Å; Y664-M708 HydrophobicContact CD2-CE 4.49Å; Y664-M708 HydrophobicContact CE1-SD 4.31Å; Y664-M708 HydrophobicContact CE2-CE 4.3Å; L704-M708 HydrophobicContact CD1-CG 4.09Å; L704-M708 HydrophobicContact CD1-SD 3.89Å; L704-M708 HydrophobicContact CD2-SD 4.39Å; L704-M708 HydrophobicContact CG-CG 4.4Å; L704-M708 HydrophobicContact CG-SD 3.74Å; L704-M708 WeakPolarHBondContact O-CB 3.48Å; L704-M708 WeakPolarHBondContact O-CG 3.35Å; L704-M708 PolarHBondContact O-N 3Å; I705-M708 PolarHBondContact O-N 2.9Å; I705-M708 VanDerWaalsContact O-N 3.15Å; M708-H710 VanDerWaalsContact C-N 3.33Å; M708-R716 VanDerWaalsContact O-CD 3.27Å; M708-R716 WeakPolarHBondContact O-CD 2.99Å; M708-R716 WeakPolarHBondContact O-CG 3.47Å; M708-P717 HydrophobicContact CG-CG 3.85Å
709	I	97.4	Very high	93.4	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	14	-178.4	72.5	-177	0	0	0	113.4	F658 P674 F675 F690 L692 I705	F658-I709 HydrophobicContact CD2-CB 4.19Å; F658-I709 HydrophobicContact CE2-CB 4.06Å; F658-I709 WeakPolarHBondContact CE2-O 3.49Å; P674-I709 HydrophobicContact CB-CD1 3.97Å; P674-I709 HydrophobicContact CG-CD1 4.31Å; F675-I709 HydrophobicContact CE2-CB 4.29Å; F675-I709 HydrophobicContact CE2-CD1 4.32Å; F675-I709 HydrophobicContact CZ-CB 4.41Å; F675-I709 HydrophobicContact CZ-CD1 4.42Å; F690-I709 HydrophobicContact CB-CD1 4.28Å; F690-I709 HydrophobicContact CD1-CD1 4.35Å; F690-I709 HydrophobicContact CD2-CD1 3.7Å; F690-I709 HydrophobicContact CE2-CD1 4.07Å; F690-I709 HydrophobicContact CG-CD1 3.86Å; L692-I709 HydrophobicContact CD2-CD1 4.07Å; I705-I709 HydrophobicContact CG2-CD1 4.1Å; I705-I709 HydrophobicContact CG2-CG2 4.29Å; I705-I709 WeakPolarHBondContact O-CG1 3.26Å; I705-I709 PolarHBondContact O-N 3.49Å
710	H	95.7	Very high	93.3	Very high	70 Å²	70	33.3 Å²	33.3	32%	0.324	19%	0.185	S	C	.	.			trans	-57.6	138.4	-179.3	-166	-80.2	0	0	0	111.8	G706 D707 M708 D712 L715 R716	G706-H710 PolarHBondContact O-N 3.19Å; D707-H710 WeakPolarHBondContact O-CB 3.45Å; M708-H710 VanDerWaalsContact C-N 3.33Å; H710-D712 WeakPolarHBondContact ND1-CB 3.4Å; H710-D712 PolarHBondContact ND1-N 3.06Å; H710-D712 PolarHBondContact ND1-O 3.42Å; H710-D712 VanDerWaalsContact ND1-O 3.09Å; H710-D712 PolarHBondContact O-N 2.98Å; H710-L715 HydrophobicContact CB-CB 4.46Å; H710-L715 WeakPolarHBondContact CE1-CD1 3.46Å; H710-R716 HydrophobicContact CB-CG 4.13Å; H710-R716 PolarHBondContact O-NE 2.9Å; H710-R716 PolarHBondContact O-NH2 2.95Å
711	S	92.6	Very high	93.2	Very high	59 Å²	59	34.6 Å²	34.6	41%	0.413	19%	0.191	S	C	.	.	S	Bend	trans	-64.4	-40.7	-176.5	-59.5	0	0	0	0	112.8	P643 R716	P643-S711 WeakPolarHBondContact CG-O 3.27Å; S711-R716 PolarHBondContact O-NH2 2.9Å
712	D	89.2	Confident	93.1	Very high	74 Å²	74	34.5 Å²	34.5	40%	0.396	19%	0.19	S	C	.	.	S	Bend	trans	-75.5	123.5	167.2	-174.3	-10.5	0	0	0	109.8	H710 L714 L715	H710-D712 WeakPolarHBondContact ND1-CB 3.4Å; H710-D712 PolarHBondContact ND1-N 3.06Å; H710-D712 PolarHBondContact ND1-O 3.42Å; H710-D712 VanDerWaalsContact ND1-O 3.09Å; H710-D712 PolarHBondContact O-N 2.98Å; D712-L714 VanDerWaalsContact C-N 3.32Å; D712-L714 PolarHBondContact O-N 2.95Å; D712-L714 PolarHBondContact OD1-N 3.46Å; D712-L715 HydrophobicContact CB-CD1 4.16Å; D712-L715 HydrophobicContact CB-CG 4.38Å
713	S	89.2	Confident	92.9	Very high	23 Å²	23	33.5 Å²	33.5	16%	0.161	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-67.4	-30.2	-178.3	63.5	0	0	0	0	113	L654 L715 R716	L654-S713 WeakPolarHBondContact CD1-O 3.33Å; S713-L715 VanDerWaalsContact C-N 3.26Å; S713-L715 PolarHBondContact O-N 3.02Å; S713-R716 WeakPolarHBondContact O-CB 3.41Å; S713-R716 PolarHBondContact O-N 3.29Å
714	L	86.4	Confident	92.7	Very high	87 Å²	87	35.6 Å²	35.6	46%	0.455	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-70.8	-21.6	-177.2	-64.7	177.5	0	0	0	113.4	D712 R716	D712-L714 VanDerWaalsContact C-N 3.32Å; D712-L714 PolarHBondContact O-N 2.95Å; D712-L714 PolarHBondContact OD1-N 3.46Å; L714-R716 VanDerWaalsContact C-N 3.31Å
715	L	90.2	Very high	92.7	Very high	99 Å²	99	36 Å²	36	52%	0.518	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-85.6	-6.3	177.7	-66.4	176.4	0	0	0	112.9	H710 D712 S713	H710-L715 HydrophobicContact CB-CB 4.46Å; H710-L715 WeakPolarHBondContact CE1-CD1 3.46Å; D712-L715 HydrophobicContact CB-CD1 4.16Å; D712-L715 HydrophobicContact CB-CG 4.38Å; S713-L715 VanDerWaalsContact C-N 3.26Å; S713-L715 PolarHBondContact O-N 3.02Å
716	R	93.6	Very high	92.6	Very high	6 Å²	6	36 Å²	36	2%	0.023	20%	0.199	C	C	.	.	S	Bend	trans	-79.6	141.8	177.7	-56.2	176.3	-165.9	146.9	12	110.7	E644 L654 I657 D707 M708 H710 S711 S713 L714	E644-R716 IonicContact OE1-CZ 3.83Å; E644-R716 IonicContact OE1-NH1 3.31Å; E644-R716 PolarHBondContact OE1-NH1 3.35Å; E644-R716 IonicContact OE1-NH2 3.98Å; E644-R716 IonicContact OE2-CZ 3Å; E644-R716 IonicContact OE2-NH1 3.24Å; E644-R716 PolarHBondContact OE2-NH1 2.91Å; E644-R716 IonicContact OE2-NH2 2.66Å; E644-R716 PolarHBondContact OE2-NH2 2.83Å; L654-R716 WeakPolarHBondContact O-CD 3.33Å; L654-R716 PolarHBondContact O-NH1 3.24Å; I657-R716 HydrophobicContact CG2-CB 4.15Å; D707-R716 WeakPolarHBondContact O-CA 3.38Å; M708-R716 VanDerWaalsContact O-CD 3.27Å; M708-R716 WeakPolarHBondContact O-CD 2.99Å; M708-R716 WeakPolarHBondContact O-CG 3.47Å; H710-R716 HydrophobicContact CB-CG 4.13Å; H710-R716 PolarHBondContact O-NE 2.9Å; H710-R716 PolarHBondContact O-NH2 2.95Å; S711-R716 PolarHBondContact O-NH2 2.9Å; S713-R716 WeakPolarHBondContact O-CB 3.41Å; S713-R716 PolarHBondContact O-N 3.29Å; L714-R716 VanDerWaalsContact C-N 3.31Å
717	P	91.8	Very high	92.5	Very high	20 Å²	20	36 Å²	36	13%	0.13	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-69.4	151.2	173.7	30.2	-35.1	0	0	0	110.8	I657 L704 M708 Q721 A722	I657-P717 WeakPolarHBondContact CG1-O 3.2Å; I657-P717 HydrophobicContact CG2-CG 4.45Å; I657-P717 VanDerWaalsContact CG2-O 3.29Å; I657-P717 WeakPolarHBondContact CG2-O 3.29Å; L704-P717 HydrophobicContact CD1-CG 4.42Å; M708-P717 HydrophobicContact CG-CG 3.85Å; P717-Q721 HydrophobicContact CB-CB 3.91Å; P717-A722 HydrophobicContact CG-CB 4.49Å
718	T	90.9	Very high	92.5	Very high	20 Å²	20	33.6 Å²	33.6	12%	0.123	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-66.4	160.6	164.1	62.2	0	0	0	0	110.8	L654 V720 Q721 A722	L654-T718 HydrophobicContact CD2-CG2 4.34Å; T718-V720 PolarHBondContact O-N 3.42Å; T718-V720 VanDerWaalsContact O-N 3.17Å; T718-Q721 PolarHBondContact O-N 2.93Å; T718-Q721 VanDerWaalsContact O-N 3.07Å; T718-Q721 WeakPolarHBondContact OG1-CB 3.37Å; T718-Q721 VanDerWaalsContact OG1-CG 3.3Å; T718-Q721 WeakPolarHBondContact OG1-CG 3.17Å; T718-Q721 PolarHBondContact OG1-N 2.97Å; T718-Q721 PolarHBondContact OG1-OE1 3.4Å; T718-A722 PolarHBondContact O-N 3.4Å
719	A	91	Very high	92.4	Very high	2 Å²	2	34 Å²	34	2%	0.017	18%	0.182	C	C	.	.	H	α-helix	trans	-57.3	-33.9	176.8	0	0	0	0	0	112.2	T554 A558 I657 I723	T554-A719 HydrophobicContact CG2-CB 4.36Å; A558-A719 HydrophobicContact CB-CB 3.77Å; I657-A719 HydrophobicContact CD1-CB 3.83Å; A719-I723 WeakPolarHBondContact O-CG1 3.38Å; A719-I723 PolarHBondContact O-N 2.82Å
720	V	89.2	Confident	92.2	Very high	54 Å²	54	37.1 Å²	37.1	33%	0.327	20%	0.204	S	C	.	.	H	α-helix	trans	-69.4	-44.1	176.6	-176.5	0	0	0	0	111.1	A558 T718 A722 I723 H724 Y858	A558-V720 HydrophobicContact CB-CG2 4.31Å; T718-V720 PolarHBondContact O-N 3.42Å; T718-V720 VanDerWaalsContact O-N 3.17Å; V720-A722 VanDerWaalsContact C-N 3.34Å; V720-I723 PolarHBondContact O-N 3.27Å; V720-H724 PolarHBondContact O-N 3.31Å; V720-H724 PolarHBondContact O-ND1 2.79Å; V720-Y858 HydrophobicContact CB-CE2 4.37Å; V720-Y858 HydrophobicContact CG1-CD2 3.75Å; V720-Y858 HydrophobicContact CG1-CE2 3.32Å
721	Q	90.9	Very high	92.2	Very high	43 Å²	43	36 Å²	36	20%	0.201	20%	0.198	C	C	.	.	H	α-helix	trans	-62.3	-41.5	174.7	-75.1	165.2	-40.1	0	0	111.6	P717 T718 I723 H724 H725 Y858	P717-Q721 HydrophobicContact CB-CB 3.91Å; T718-Q721 PolarHBondContact O-N 2.93Å; T718-Q721 VanDerWaalsContact O-N 3.07Å; T718-Q721 WeakPolarHBondContact OG1-CB 3.37Å; T718-Q721 VanDerWaalsContact OG1-CG 3.3Å; T718-Q721 WeakPolarHBondContact OG1-CG 3.17Å; T718-Q721 PolarHBondContact OG1-N 2.97Å; T718-Q721 PolarHBondContact OG1-OE1 3.4Å; Q721-I723 VanDerWaalsContact C-N 3.3Å; Q721-I723 PolarHBondContact O-N 3.35Å; Q721-H724 PolarHBondContact O-N 2.98Å; Q721-H725 PolarHBondContact O-N 3.42Å; Q721-Y858 HydrophobicContact CG-CD1 3.54Å; Q721-Y858 HydrophobicContact CG-CE1 4.25Å; Q721-Y858 HydrophobicContact CG-CG 4.01Å
722	A	93.3	Very high	92.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.7	-39	177.8	0	0	0	0	0	112.5	T554 L704 P717 T718 V720 H724 H725 F728	T554-A722 HydrophobicContact CG2-CB 4.37Å; L704-A722 HydrophobicContact CD1-CB 4.14Å; P717-A722 HydrophobicContact CG-CB 4.49Å; T718-A722 PolarHBondContact O-N 3.4Å; V720-A722 VanDerWaalsContact C-N 3.34Å; A722-H724 VanDerWaalsContact C-N 3.3Å; A722-H724 PolarHBondContact O-N 3.38Å; A722-H725 WeakPolarHBondContact O-CB 3.48Å; A722-H725 PolarHBondContact O-N 3Å; A722-F728 WeakPolarHBondContact O-CD2 3.49Å; A722-F728 WeakPolarHBondContact O-CE2 3.5Å
723	I	91.7	Very high	92.8	Very high	34 Å²	34	36.2 Å²	36.2	17%	0.174	19%	0.189	C	C	.	.	H	α-helix	trans	-67.4	-29.7	176.8	-67.5	166.3	0	0	0	112.2	T554 L555 A558 A719 V720 Q721 H725 F728	T554-I723 HydrophobicContact CG2-CD1 3.84Å; T554-I723 HydrophobicContact CG2-CG1 3.47Å; T554-I723 VanDerWaalsContact CG2-CG1 3.47Å; L555-I723 HydrophobicContact CD2-CD1 3.7Å; L555-I723 HydrophobicContact CG-CD1 3.97Å; A558-I723 HydrophobicContact CB-CD1 4.29Å; A719-I723 WeakPolarHBondContact O-CG1 3.38Å; A719-I723 PolarHBondContact O-N 2.82Å; V720-I723 PolarHBondContact O-N 3.27Å; Q721-I723 VanDerWaalsContact C-N 3.3Å; Q721-I723 PolarHBondContact O-N 3.35Å; I723-H725 VanDerWaalsContact C-N 3.27Å; I723-H725 PolarHBondContact O-N 3.39Å; I723-F728 WeakPolarHBondContact O-CB 3.32Å
724	H	90.4	Very high	93.1	Very high	64 Å²	64	35.6 Å²	35.6	30%	0.296	18%	0.184	S	C	.	.	H	α-helix	trans	-79.5	-10.2	178.3	-71.6	77.1	0	0	0	113.2	V720 Q721 A722 W729 Y858	V720-H724 PolarHBondContact O-N 3.31Å; V720-H724 PolarHBondContact O-ND1 2.79Å; Q721-H724 PolarHBondContact O-N 2.98Å; A722-H724 VanDerWaalsContact C-N 3.3Å; A722-H724 PolarHBondContact O-N 3.38Å; H724-W729 PolarHBondContact O-NE1 3Å; H724-Y858 AromaticContact CE1-CD2 3.91Å
725	H	95	Very high	93.7	Very high	11 Å²	11	31.5 Å²	31.5	5%	0.051	16%	0.162	C	C	.	.	S	Bend	trans	-60.6	146.1	-177.9	-167.9	-93.8	0	0	0	112.7	E700 D703 L704 Q721 A722 I723 F727 F728 M838	E700-H725 PolarHBondContact O-CE1 3.18Å; D703-H725 IonicContact OD2-NE2 3.77Å; L704-H725 HydrophobicContact CD1-CB 4.03Å; L704-H725 HydrophobicContact CD2-CB 4.08Å; Q721-H725 PolarHBondContact O-N 3.42Å; A722-H725 WeakPolarHBondContact O-CB 3.48Å; A722-H725 PolarHBondContact O-N 3Å; I723-H725 VanDerWaalsContact C-N 3.27Å; I723-H725 PolarHBondContact O-N 3.39Å; H725-F727 WeakPolarHBondContact ND1-CB 3.34Å; H725-F727 PolarHBondContact ND1-N 2.86Å; H725-F727 VanDerWaalsContact ND1-N 3.18Å; H725-F727 PolarHBondContact O-N 3.35Å; H725-F728 PolarHBondContact O-N 3.06Å; H725-M838 VanDerWaalsContact CE1-CE 3.49Å; H725-M838 WeakPolarHBondContact CE1-CE 3.42Å; H725-M838 VanDerWaalsContact NE2-CE 3.33Å; H725-M838 WeakPolarHBondContact NE2-CE 3.28Å
726	P	95.7	Very high	94	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-52.4	-24.3	177.6	-30.1	35.3	0	0	0	115.7	E700 F728 W729 L837 M838 Y841	E700-P726 HydrophobicContact CG-CB 4.48Å; P726-F728 PolarHBondContact O-N 3.47Å; P726-W729 HydrophobicContact CB-CD2 4.11Å; P726-W729 HydrophobicContact CB-CE3 4.08Å; P726-W729 HydrophobicContact CB-CZ3 4.29Å; P726-W729 HydrophobicContact CG-CD2 4.4Å; P726-W729 HydrophobicContact CG-CE3 4.37Å; P726-W729 HydrophobicContact CG-CH2 3.97Å; P726-W729 HydrophobicContact CG-CZ2 3.96Å; P726-W729 HydrophobicContact CG-CZ3 4.16Å; P726-W729 WeakPolarHBondContact O-CB 3.48Å; P726-W729 PolarHBondContact O-N 3.26Å; P726-L837 HydrophobicContact CB-CD2 4.26Å; P726-M838 HydrophobicContact CB-SD 3.8Å; P726-M838 HydrophobicContact CG-CE 4.3Å; P726-M838 HydrophobicContact CG-SD 3.92Å; P726-Y841 HydrophobicContact CG-CD1 3.7Å; P726-Y841 HydrophobicContact CG-CD2 3.44Å; P726-Y841 VanDerWaalsContact CG-CD2 3.44Å; P726-Y841 HydrophobicContact CG-CE1 3.91Å; P726-Y841 HydrophobicContact CG-CE2 3.65Å; P726-Y841 HydrophobicContact CG-CG 3.45Å; P726-Y841 VanDerWaalsContact CG-CG 3.45Å
727	F	95.4	Very high	94.2	Very high	19 Å²	19	28 Å²	28	8%	0.083	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-51.2	-36.1	171.2	-179.7	-106.7	0	0	0	112.3	K547 L550 Y664 L668 E700 G701 L704 H725	K547-F727 WeakPolarHBondContact CE-O 3.47Å; K547-F727 HydrophobicContact CG-CE1 4.43Å; K547-F727 PolarHBondContact NZ-O 3.43Å; L550-F727 HydrophobicContact CD1-CE1 4.19Å; L550-F727 HydrophobicContact CD1-CZ 4.13Å; Y664-F727 HydrophobicContact CD1-CE1 4.3Å; Y664-F727 HydrophobicContact CE1-CD1 4.25Å; Y664-F727 AromaticContact CE1-CE1 4Å; Y664-F727 HydrophobicContact CE1-CE1 4Å; L668-F727 HydrophobicContact CD1-CE2 4.11Å; L668-F727 HydrophobicContact CD1-CZ 3.97Å; L668-F727 HydrophobicContact CD2-CZ 4.3Å; E700-F727 HydrophobicContact CB-CB 4.22Å; E700-F727 HydrophobicContact CB-CD2 4.42Å; G701-F727 VanDerWaalsContact CA-CD2 3.42Å; L704-F727 HydrophobicContact CD2-CB 3.93Å; L704-F727 HydrophobicContact CD2-CD1 3.93Å; L704-F727 HydrophobicContact CD2-CG 4.14Å; H725-F727 WeakPolarHBondContact ND1-CB 3.34Å; H725-F727 PolarHBondContact ND1-N 2.86Å; H725-F727 VanDerWaalsContact ND1-N 3.18Å; H725-F727 PolarHBondContact O-N 3.35Å
728	F	95.1	Very high	94.4	Very high	19 Å²	19	27.1 Å²	27.1	8%	0.083	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-87.7	-11.3	179.3	-71.2	-65.9	0	0	0	115.2	K547 L550 E551 Y664 L704 A722 I723 H725 P726	K547-F728 WeakPolarHBondContact CE-O 3.07Å; K547-F728 HydrophobicContact CG-CD1 4.16Å; K547-F728 HydrophobicContact CG-CE1 4.26Å; K547-F728 PolarHBondContact NZ-O 3.34Å; L550-F728 HydrophobicContact CB-CZ 4.4Å; E551-F728 HydrophobicContact CB-CD1 3.84Å; E551-F728 HydrophobicContact CB-CE1 3.52Å; E551-F728 HydrophobicContact CB-CZ 4.37Å; E551-F728 HydrophobicContact CG-CD1 4.05Å; E551-F728 HydrophobicContact CG-CE1 4.17Å; Y664-F728 HydrophobicContact CE1-CE2 4.17Å; Y664-F728 AromaticContact CE1-CZ 3.88Å; Y664-F728 HydrophobicContact CE1-CZ 3.88Å; Y664-F728 AromaticContact CZ-CZ 3.82Å; Y664-F728 WeakPolarHBondContact OH-CE2 3.46Å; Y664-F728 WeakPolarHBondContact OH-CZ 3.3Å; L704-F728 HydrophobicContact CD2-CE2 4.12Å; A722-F728 WeakPolarHBondContact O-CD2 3.49Å; A722-F728 WeakPolarHBondContact O-CE2 3.5Å; I723-F728 WeakPolarHBondContact O-CB 3.32Å; H725-F728 PolarHBondContact O-N 3.06Å; P726-F728 PolarHBondContact O-N 3.47Å
729	W	95.1	Very high	94.7	Very high	9 Å²	9	26.6 Å²	26.6	3%	0.034	14%	0.137	C	C	.	.			trans	-66.6	145.7	-174.1	-65.7	4.8	0	0	0	113	K547 H724 P726 K733 Q734 F737 L837 Y841 Y856	K547-W729 PolarHBondContact NZ-O 3.24Å; H724-W729 PolarHBondContact O-NE1 3Å; P726-W729 HydrophobicContact CB-CD2 4.11Å; P726-W729 HydrophobicContact CB-CE3 4.08Å; P726-W729 HydrophobicContact CB-CZ3 4.29Å; P726-W729 HydrophobicContact CG-CD2 4.4Å; P726-W729 HydrophobicContact CG-CE3 4.37Å; P726-W729 HydrophobicContact CG-CH2 3.97Å; P726-W729 HydrophobicContact CG-CZ2 3.96Å; P726-W729 HydrophobicContact CG-CZ3 4.16Å; P726-W729 WeakPolarHBondContact O-CB 3.48Å; P726-W729 PolarHBondContact O-N 3.26Å; W729-K733 HydrophobicContact CB-CB 4.15Å; W729-K733 HydrophobicContact CB-CD 4.29Å; W729-K733 HydrophobicContact CB-CG 4.27Å; W729-K733 HydrophobicContact CD2-CD 4.13Å; W729-K733 HydrophobicContact CD2-CG 4.07Å; W729-K733 HydrophobicContact CE3-CG 4.41Å; W729-K733 HydrophobicContact CG-CB 4.44Å; W729-K733 HydrophobicContact CG-CD 3.8Å; W729-K733 HydrophobicContact CG-CG 4.01Å; W729-Q734 HydrophobicContact CB-CG 3.92Å; W729-Q734 HydrophobicContact CE3-CG 4.2Å; W729-F737 HydrophobicContact CE3-CB 4.37Å; W729-F737 HydrophobicContact CH2-CB 4.24Å; W729-F737 HydrophobicContact CH2-CD1 4.08Å; W729-F737 AromaticContact CH2-CD2 3.89Å; W729-F737 HydrophobicContact CH2-CD2 3.89Å; W729-F737 HydrophobicContact CH2-CE1 4.44Å; W729-F737 HydrophobicContact CH2-CE2 4.29Å; W729-F737 AromaticContact CH2-CG 3.78Å; W729-F737 HydrophobicContact CH2-CG 3.78Å; W729-F737 HydrophobicContact CZ3-CB 3.64Å; W729-F737 AromaticContact CZ3-CD1 3.59Å; W729-F737 HydrophobicContact CZ3-CD1 3.59Å; W729-F737 HydrophobicContact CZ3-CD2 4.07Å; W729-F737 HydrophobicContact CZ3-CE1 4.27Å; W729-F737 AromaticContact CZ3-CG 3.47Å; W729-F737 HydrophobicContact CZ3-CG 3.47Å; W729-F737 VanDerWaalsContact CZ3-CG 3.47Å; W729-L837 HydrophobicContact CZ3-CD1 4.32Å; W729-Y841 AromaticContact CH2-CD2 3.68Å; W729-Y841 HydrophobicContact CH2-CD2 3.68Å; W729-Y841 AromaticContact CH2-CE2 3.94Å; W729-Y841 HydrophobicContact CH2-CE2 3.94Å; W729-Y841 HydrophobicContact CZ2-CD2 4.09Å; W729-Y841 AromaticContact CZ2-CE2 3.87Å; W729-Y841 HydrophobicContact CZ2-CE2 3.87Å; W729-Y856 AromaticContact CH2-CD1 3.83Å; W729-Y856 HydrophobicContact CH2-CD1 3.83Å; W729-Y856 HydrophobicContact CH2-CG 4.21Å; W729-Y856 AromaticContact CZ2-CD1 3.99Å; W729-Y856 HydrophobicContact CZ2-CD1 3.99Å; W729-Y856 HydrophobicContact CZ2-CG 4.41Å; W729-Y856 HydrophobicContact CZ3-CD1 4.27Å
730	S	94.9	Very high	95	Very high	67 Å²	67	28.7 Å²	28.7	47%	0.469	15%	0.148	S	C	.	.			trans	-73.3	159.4	166.2	65.7	0	0	0	0	110.1	Q732 K733 Q734	S730-Q732 PolarHBondContact O-N 3.48Å; S730-K733 PolarHBondContact O-N 3.18Å; S730-K733 PolarHBondContact OG-N 3.38Å; S730-K733 VanDerWaalsContact OG-N 3.16Å; S730-Q734 WeakPolarHBondContact O-CG 3.13Å; S730-Q734 PolarHBondContact O-N 2.92Å
731	K	95	Very high	95.3	Very high	45 Å²	45	26.1 Å²	26.1	20%	0.196	13%	0.132	C	C	.	.	H	α-helix	trans	-58.3	-35.5	174.9	-66.2	-72.9	168.6	176	0	111.7	Q734 L735 D823 V826 D827	K731-Q734 PolarHBondContact O-N 3.49Å; K731-L735 WeakPolarHBondContact O-CB 3.42Å; K731-L735 PolarHBondContact O-N 3.5Å; K731-D823 HydrophobicContact CB-CB 4.46Å; K731-D823 HydrophobicContact CG-CB 4.42Å; K731-D823 WeakPolarHBondContact CG-OD1 3.37Å; K731-V826 HydrophobicContact CB-CB 4.47Å; K731-V826 HydrophobicContact CD-CB 3.93Å; K731-V826 HydrophobicContact CD-CG1 3.6Å; K731-D827 WeakPolarHBondContact CE-OD1 3.36Å; K731-D827 IonicContact NZ-OD1 3.96Å; K731-D827 PolarHBondContact NZ-OD1 3.4Å
732	Q	97	Very high	95.6	Very high	78 Å²	78	24.1 Å²	24.1	36%	0.364	12%	0.123	S	C	.	.	H	α-helix	trans	-59.1	-46.4	171.5	-174.2	54.7	56.1	0	0	112.5	S730 L735 S736 P822	S730-Q732 PolarHBondContact O-N 3.48Å; Q732-L735 PolarHBondContact O-N 2.99Å; Q732-S736 PolarHBondContact NE2-OG 3.04Å; Q732-S736 PolarHBondContact O-N 3.13Å; Q732-S736 PolarHBondContact O-OG 2.96Å; Q732-P822 HydrophobicContact CB-CB 4.38Å; Q732-P822 HydrophobicContact CB-CG 3.98Å
733	K	96.2	Very high	95.8	Very high	61 Å²	61	28 Å²	28	27%	0.265	14%	0.144	S	C	.	.	H	α-helix	trans	-68.7	-38.8	179.5	-173.2	170.5	-176.8	174.6	0	112	W729 S730 L735 S736 F737 S855 Y856	W729-K733 HydrophobicContact CB-CB 4.15Å; W729-K733 HydrophobicContact CB-CD 4.29Å; W729-K733 HydrophobicContact CB-CG 4.27Å; W729-K733 HydrophobicContact CD2-CD 4.13Å; W729-K733 HydrophobicContact CD2-CG 4.07Å; W729-K733 HydrophobicContact CE3-CG 4.41Å; W729-K733 HydrophobicContact CG-CB 4.44Å; W729-K733 HydrophobicContact CG-CD 3.8Å; W729-K733 HydrophobicContact CG-CG 4.01Å; S730-K733 PolarHBondContact O-N 3.18Å; S730-K733 PolarHBondContact OG-N 3.38Å; S730-K733 VanDerWaalsContact OG-N 3.16Å; K733-L735 VanDerWaalsContact C-N 3.34Å; K733-S736 PolarHBondContact O-N 3.06Å; K733-F737 WeakPolarHBondContact O-CB 3.43Å; K733-F737 PolarHBondContact O-N 3.17Å; K733-S855 WeakPolarHBondContact CE-O 3.32Å; K733-S855 PolarHBondContact NZ-O 3.25Å; K733-Y856 HydrophobicContact CG-CD1 4.25Å; K733-Y856 HydrophobicContact CG-CE1 3.93Å
734	Q	97	Very high	95.9	Very high	10 Å²	10	30.3 Å²	30.3	5%	0.047	15%	0.151	C	C	.	.	H	α-helix	trans	-59.4	-45.3	172.5	-66.7	179.9	-0.2	0	0	111.4	W729 S730 K731 F737 L738 V826 L837	W729-Q734 HydrophobicContact CB-CG 3.92Å; W729-Q734 HydrophobicContact CE3-CG 4.2Å; S730-Q734 WeakPolarHBondContact O-CG 3.13Å; S730-Q734 PolarHBondContact O-N 2.92Å; K731-Q734 PolarHBondContact O-N 3.49Å; Q734-F737 PolarHBondContact O-N 2.88Å; Q734-L738 WeakPolarHBondContact O-CG 3.23Å; Q734-L738 PolarHBondContact O-N 3.06Å; Q734-L738 VanDerWaalsContact O-N 3.11Å; Q734-V826 HydrophobicContact CB-CG1 4.33Å; Q734-L837 HydrophobicContact CB-CD1 4.43Å; Q734-L837 HydrophobicContact CB-CD2 4.41Å; Q734-L837 HydrophobicContact CG-CD1 4.45Å; Q734-L837 HydrophobicContact CG-CD2 3.73Å
735	L	97.5	Very high	96.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-48.8	178.8	-172.8	49.6	0	0	0	112	K731 Q732 K733 F737 L738 Q739 L800 I821 P822 F825 V826	K731-L735 WeakPolarHBondContact O-CB 3.42Å; K731-L735 PolarHBondContact O-N 3.5Å; Q732-L735 PolarHBondContact O-N 2.99Å; K733-L735 VanDerWaalsContact C-N 3.34Å; L735-F737 VanDerWaalsContact C-N 3.32Å; L735-F737 PolarHBondContact O-N 2.7Å; L735-L738 PolarHBondContact O-N 3.5Å; L735-Q739 WeakPolarHBondContact O-CG 3.45Å; L735-Q739 PolarHBondContact O-N 3.48Å; L735-Q739 VanDerWaalsContact O-N 3.15Å; L735-L800 HydrophobicContact CD1-CD2 3.81Å; L735-I821 HydrophobicContact CD2-CG2 3.86Å; L735-P822 HydrophobicContact CD2-CB 3.72Å; L735-F825 HydrophobicContact CD1-CD1 3.93Å; L735-F825 HydrophobicContact CD1-CE1 3.87Å; L735-F825 HydrophobicContact CD2-CD1 4.37Å; L735-V826 HydrophobicContact CB-CG2 3.61Å; L735-V826 HydrophobicContact CD1-CG2 4.03Å; L735-V826 HydrophobicContact CD2-CG2 4.14Å; L735-V826 HydrophobicContact CG-CG2 4.14Å
736	S	96.9	Very high	95.9	Very high	32 Å²	32	28.2 Å²	28.2	22%	0.224	14%	0.141	C	C	.	.	H	α-helix	trans	-57.5	-46.3	176.8	-63.7	0	0	0	0	111.1	Q732 K733 L738 Q739 D740 Y856	Q732-S736 PolarHBondContact NE2-OG 3.04Å; Q732-S736 PolarHBondContact O-N 3.13Å; Q732-S736 PolarHBondContact O-OG 2.96Å; K733-S736 PolarHBondContact O-N 3.06Å; S736-L738 PolarHBondContact O-N 2.99Å; S736-Q739 PolarHBondContact O-N 3.41Å; S736-Q739 VanDerWaalsContact O-N 3.14Å; S736-D740 PolarHBondContact O-N 2.99Å; S736-Y856 VanDerWaalsContact C-OH 3.31Å; S736-Y856 VanDerWaalsContact CB-OH 3.31Å; S736-Y856 WeakPolarHBondContact CB-OH 3.38Å
737	F	97.3	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.4	-49.4	178.5	174.7	-109.4	0	0	0	113.1	W729 K733 Q734 L735 Q739 D740 I741 L837 V840 Y841 F853 Y856 Y857	W729-F737 HydrophobicContact CE3-CB 4.37Å; W729-F737 HydrophobicContact CH2-CB 4.24Å; W729-F737 HydrophobicContact CH2-CD1 4.08Å; W729-F737 AromaticContact CH2-CD2 3.89Å; W729-F737 HydrophobicContact CH2-CD2 3.89Å; W729-F737 HydrophobicContact CH2-CE1 4.44Å; W729-F737 HydrophobicContact CH2-CE2 4.29Å; W729-F737 AromaticContact CH2-CG 3.78Å; W729-F737 HydrophobicContact CH2-CG 3.78Å; W729-F737 HydrophobicContact CZ3-CB 3.64Å; W729-F737 AromaticContact CZ3-CD1 3.59Å; W729-F737 HydrophobicContact CZ3-CD1 3.59Å; W729-F737 HydrophobicContact CZ3-CD2 4.07Å; W729-F737 HydrophobicContact CZ3-CE1 4.27Å; W729-F737 AromaticContact CZ3-CG 3.47Å; W729-F737 HydrophobicContact CZ3-CG 3.47Å; W729-F737 VanDerWaalsContact CZ3-CG 3.47Å; K733-F737 WeakPolarHBondContact O-CB 3.43Å; K733-F737 PolarHBondContact O-N 3.17Å; Q734-F737 PolarHBondContact O-N 2.88Å; L735-F737 VanDerWaalsContact C-N 3.32Å; L735-F737 PolarHBondContact O-N 2.7Å; F737-Q739 PolarHBondContact O-N 3.16Å; F737-D740 PolarHBondContact O-N 2.89Å; F737-I741 HydrophobicContact CD2-CG1 4.28Å; F737-I741 HydrophobicContact CE1-CG1 4.2Å; F737-I741 HydrophobicContact CE2-CD1 3.97Å; F737-I741 HydrophobicContact CE2-CG1 3.76Å; F737-I741 HydrophobicContact CZ-CD1 4Å; F737-I741 HydrophobicContact CZ-CG1 3.7Å; F737-I741 WeakPolarHBondContact O-CG1 3.18Å; F737-I741 PolarHBondContact O-N 2.98Å; F737-L837 HydrophobicContact CD1-CD1 3.97Å; F737-L837 HydrophobicContact CE1-CD1 4.43Å; F737-V840 HydrophobicContact CE1-CB 4.28Å; F737-V840 HydrophobicContact CE1-CG1 3.72Å; F737-V840 HydrophobicContact CZ-CG1 4.12Å; F737-Y841 HydrophobicContact CZ-CD2 4.35Å; F737-F853 HydrophobicContact CE2-CD1 4.36Å; F737-F853 HydrophobicContact CE2-CE1 4.5Å; F737-Y856 HydrophobicContact CB-CD1 3.9Å; F737-Y856 HydrophobicContact CB-CE1 3.59Å; F737-Y856 HydrophobicContact CB-CE2 4.47Å; F737-Y856 HydrophobicContact CB-CG 4.49Å; F737-Y856 AromaticContact CD2-CD1 3.83Å; F737-Y856 HydrophobicContact CD2-CD1 3.83Å; F737-Y856 AromaticContact CD2-CD2 3.66Å; F737-Y856 HydrophobicContact CD2-CD2 3.66Å; F737-Y856 HydrophobicContact CD2-CE1 4.18Å; F737-Y856 HydrophobicContact CD2-CE2 4.03Å; F737-Y856 AromaticContact CD2-CG 3.59Å; F737-Y856 HydrophobicContact CD2-CG 3.59Å; F737-Y856 HydrophobicContact CE2-CD2 4.35Å; F737-Y856 HydrophobicContact CE2-CG 4.31Å; F737-Y856 HydrophobicContact CG-CD1 4.24Å; F737-Y856 HydrophobicContact CG-CE1 4.36Å; F737-Y856 HydrophobicContact CG-CG 4.43Å; F737-Y856 PolarHBondContact N-OH 3.43Å; F737-Y857 HydrophobicContact CE2-CE2 4.23Å; F737-Y857 WeakPolarHBondContact CE2-OH 3.25Å; F737-Y857 WeakPolarHBondContact CZ-OH 3.45Å
738	L	97.4	Very high	95.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-62.7	-31.8	-179.6	-67.7	175	0	0	0	112	Q734 L735 S736 S742 L797 L800 L837 V840	Q734-L738 WeakPolarHBondContact O-CG 3.23Å; Q734-L738 PolarHBondContact O-N 3.06Å; Q734-L738 VanDerWaalsContact O-N 3.11Å; L735-L738 PolarHBondContact O-N 3.5Å; S736-L738 PolarHBondContact O-N 2.99Å; L738-S742 WeakPolarHBondContact O-CB 3.24Å; L738-S742 PolarHBondContact O-N 2.66Å; L738-L797 HydrophobicContact CB-CD2 4.24Å; L738-L797 HydrophobicContact CD2-CD2 3.86Å; L738-L800 HydrophobicContact CD1-CD1 3.98Å; L738-L837 HydrophobicContact CD2-CD1 4.17Å; L738-L837 HydrophobicContact CG-CD1 4.34Å; L738-V840 HydrophobicContact CD2-CB 4.12Å; L738-V840 HydrophobicContact CD2-CG1 4.01Å; L738-V840 HydrophobicContact CD2-CG2 4.3Å
739	Q	96.8	Very high	95.3	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.037	21%	0.207	C	C	.	.	H	α-helix	trans	-76.2	-44	176.3	-70	-175.5	-64.9	0	0	113	L735 S736 F737 I741 S742 D743 L800 R801 R804	L735-Q739 WeakPolarHBondContact O-CG 3.45Å; L735-Q739 PolarHBondContact O-N 3.48Å; L735-Q739 VanDerWaalsContact O-N 3.15Å; S736-Q739 PolarHBondContact O-N 3.41Å; S736-Q739 VanDerWaalsContact O-N 3.14Å; F737-Q739 PolarHBondContact O-N 3.16Å; Q739-I741 PolarHBondContact O-N 3.24Å; Q739-S742 CarbonylContact O-C 3.55Å; Q739-S742 WeakPolarHBondContact O-CA 3.33Å; Q739-S742 WeakPolarHBondContact O-CB 3.36Å; Q739-S742 PolarHBondContact O-N 2.98Å; Q739-D743 PolarHBondContact O-N 2.93Å; Q739-L800 HydrophobicContact CG-CD2 4.26Å; Q739-R801 HydrophobicContact CG-CB 4.42Å; Q739-R801 HydrophobicContact CG-CG 4.28Å; Q739-R804 VanDerWaalsContact NE2-CG 3.25Å
740	D	96.7	Very high	95	Very high	46 Å²	46	44.6 Å²	44.6	25%	0.246	23%	0.227	C	C	.	.	H	α-helix	trans	-59.7	-40.5	177.5	-65.2	-19.6	0	0	0	110.2	S736 F737 D743 R744 I852 F853 Y856	S736-D740 PolarHBondContact O-N 2.99Å; F737-D740 PolarHBondContact O-N 2.89Å; D740-D743 PolarHBondContact O-N 3.48Å; D740-R744 WeakPolarHBondContact O-CB 3.35Å; D740-R744 PolarHBondContact O-N 3.23Å; D740-I852 HydrophobicContact CB-CG2 4.02Å; D740-F853 HydrophobicContact CB-CE1 4.01Å; D740-F853 HydrophobicContact CB-CZ 4.22Å; D740-Y856 HydrophobicContact CB-CE2 4.39Å; D740-Y856 VanDerWaalsContact OD2-CE2 3.26Å; D740-Y856 WeakPolarHBondContact OD2-CE2 3.42Å; D740-Y856 VanDerWaalsContact OD2-CZ 3.3Å; D740-Y856 PolarHBondContact OD2-OH 2.79Å
741	I	97	Very high	94.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-48.9	170.6	-64.4	-72	0	0	0	111	F737 Q739 D743 R744 V745 L758 L797 V840 L847 F853	F737-I741 HydrophobicContact CD2-CG1 4.28Å; F737-I741 HydrophobicContact CE1-CG1 4.2Å; F737-I741 HydrophobicContact CE2-CD1 3.97Å; F737-I741 HydrophobicContact CE2-CG1 3.76Å; F737-I741 HydrophobicContact CZ-CD1 4Å; F737-I741 HydrophobicContact CZ-CG1 3.7Å; F737-I741 WeakPolarHBondContact O-CG1 3.18Å; F737-I741 PolarHBondContact O-N 2.98Å; Q739-I741 PolarHBondContact O-N 3.24Å; I741-D743 VanDerWaalsContact C-N 3.27Å; I741-D743 PolarHBondContact O-N 3.37Å; I741-R744 PolarHBondContact O-N 2.78Å; I741-V745 WeakPolarHBondContact O-CG2 3.39Å; I741-V745 PolarHBondContact O-N 2.8Å; I741-V745 VanDerWaalsContact O-N 3.08Å; I741-L758 HydrophobicContact CG2-CD1 4.13Å; I741-L758 HydrophobicContact CG2-CD2 4.38Å; I741-L797 HydrophobicContact CG2-CD1 3.87Å; I741-V840 HydrophobicContact CB-CG1 4.04Å; I741-V840 HydrophobicContact CG1-CG1 3.81Å; I741-V840 HydrophobicContact CG2-CG1 3.81Å; I741-L847 HydrophobicContact CD1-CD1 3.8Å; I741-F853 HydrophobicContact CD1-CD1 4.15Å; I741-F853 HydrophobicContact CD1-CE1 3.35Å; I741-F853 HydrophobicContact CD1-CZ 3.84Å; I741-F853 HydrophobicContact CG1-CE1 3.83Å; I741-F853 HydrophobicContact CG1-CZ 4.43Å
742	S	97.1	Very high	94.8	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	24%	0.243	C	C	.	.	H	α-helix	trans	-56.6	-41.7	179.6	-175.1	0	0	0	0	112.3	L738 Q739 E746 L797 R798	L738-S742 WeakPolarHBondContact O-CB 3.24Å; L738-S742 PolarHBondContact O-N 2.66Å; Q739-S742 CarbonylContact O-C 3.55Å; Q739-S742 WeakPolarHBondContact O-CA 3.33Å; Q739-S742 WeakPolarHBondContact O-CB 3.36Å; Q739-S742 PolarHBondContact O-N 2.98Å; S742-E746 PolarHBondContact O-N 2.89Å; S742-L797 PolarHBondContact OG-O 3.45Å; S742-R798 WeakPolarHBondContact OG-CA 3.32Å; S742-R798 PolarHBondContact OG-N 3.28Å
743	D	96.2	Very high	94.7	Very high	83 Å²	83	49.1 Å²	49.1	44%	0.444	25%	0.248	S	C	.	.	H	α-helix	trans	-71.4	-41.8	179.7	-75	-32.4	0	0	0	111.1	Q739 D740 I741 V745 E746 R801	Q739-D743 PolarHBondContact O-N 2.93Å; D740-D743 PolarHBondContact O-N 3.48Å; I741-D743 VanDerWaalsContact C-N 3.27Å; I741-D743 PolarHBondContact O-N 3.37Å; D743-V745 PolarHBondContact O-N 3.15Å; D743-E746 PolarHBondContact O-N 3.15Å; D743-R801 WeakPolarHBondContact OD1-CD 3.21Å; D743-R801 IonicContact OD1-CZ 2.69Å; D743-R801 IonicContact OD1-NE 3.85Å; D743-R801 IonicContact OD1-NH1 2.84Å; D743-R801 PolarHBondContact OD1-NH1 2.96Å
744	R	94.8	Very high	94.6	Very high	81 Å²	81	46.2 Å²	46.2	31%	0.306	24%	0.235	S	C	.	.	H	α-helix	trans	-61.1	-30.5	177.5	-179.4	57.6	-179.2	77.7	3.3	113.5	D740 I741 V748 L847 E850 F853	D740-R744 WeakPolarHBondContact O-CB 3.35Å; D740-R744 PolarHBondContact O-N 3.23Å; I741-R744 PolarHBondContact O-N 2.78Å; R744-V748 WeakPolarHBondContact O-CG2 3.37Å; R744-L847 HydrophobicContact CG-CD1 3.92Å; R744-L847 HydrophobicContact CG-CD2 4.44Å; R744-E850 WeakPolarHBondContact CD-OE2 3.32Å; R744-E850 IonicContact CZ-OE1 3.42Å; R744-E850 IonicContact CZ-OE2 3.55Å; R744-E850 IonicContact NE-OE1 3.67Å; R744-E850 PolarHBondContact NE-OE1 2.92Å; R744-E850 IonicContact NE-OE2 2.74Å; R744-E850 PolarHBondContact NE-OE2 3.38Å; R744-E850 IonicContact NH2-OE1 2.79Å; R744-E850 PolarHBondContact NH2-OE1 3.23Å; R744-F853 HydrophobicContact CB-CE2 4.08Å; R744-F853 HydrophobicContact CB-CZ 3.86Å; R744-F853 HydrophobicContact CG-CE2 3.91Å; R744-F853 HydrophobicContact CG-CZ 4.1Å
745	V	94.8	Very high	94.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-1.1	-179.5	-53.5	0	0	0	0	114.5	I741 D743 K747 V748 I754 V755 L758 R794	I741-V745 WeakPolarHBondContact O-CG2 3.39Å; I741-V745 PolarHBondContact O-N 2.8Å; I741-V745 VanDerWaalsContact O-N 3.08Å; D743-V745 PolarHBondContact O-N 3.15Å; V745-K747 VanDerWaalsContact C-N 3.33Å; V745-K747 PolarHBondContact O-N 2.85Å; V745-V748 PolarHBondContact O-N 3.08Å; V745-I754 HydrophobicContact CG1-CG1 3.71Å; V745-I754 HydrophobicContact CG1-CG2 3.93Å; V745-V755 HydrophobicContact CB-CG2 4.42Å; V745-L758 HydrophobicContact CB-CD1 4.47Å; V745-L758 HydrophobicContact CG1-CD1 3.77Å; V745-L758 HydrophobicContact CG2-CD1 4.3Å; V745-R794 HydrophobicContact CG2-CG 3.97Å; V745-R794 PolarHBondContact O-NE 3.06Å; V745-R794 VanDerWaalsContact O-NE 3.17Å; V745-R794 PolarHBondContact O-NH2 3.38Å
746	E	90.6	Very high	94.4	Very high	32 Å²	32	51.3 Å²	51.3	15%	0.15	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-41.8	-170	178.6	61.1	-174.6	0	0	112.8	S742 D743 R786 R794 R798	S742-E746 PolarHBondContact O-N 2.89Å; D743-E746 PolarHBondContact O-N 3.15Å; E746-R786 IonicContact OE1-CZ 2.79Å; E746-R786 IonicContact OE1-NH1 3.92Å; E746-R786 PolarHBondContact OE1-NH1 2.86Å; E746-R786 IonicContact OE1-NH2 3.72Å; E746-R794 PolarHBondContact O-NH2 2.83Å; E746-R798 VanDerWaalsContact CD-NH2 3.32Å; E746-R798 PolarHBondContact O-NH2 2.97Å; E746-R798 IonicContact OE1-CZ 3.8Å; E746-R798 IonicContact OE1-NE 2.79Å; E746-R798 PolarHBondContact OE1-NE 3.44Å; E746-R798 IonicContact OE1-NH2 3.52Å; E746-R798 IonicContact OE2-CZ 2.7Å; E746-R798 IonicContact OE2-NE 2.69Å; E746-R798 PolarHBondContact OE2-NE 3.43Å; E746-R798 IonicContact OE2-NH2 2.66Å; E746-R798 PolarHBondContact OE2-NH2 3.25Å
747	K	89	Confident	94.3	Very high	204 Å²	204	54.9 Å²	54.9	89%	0.887	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	10.5	-177.4	-64.5	-175.4	179.5	177.8	0	114	V745	V745-K747 VanDerWaalsContact C-N 3.33Å; V745-K747 PolarHBondContact O-N 2.85Å
748	V	91.7	Very high	94.2	Very high	22 Å²	22	54.9 Å²	54.9	13%	0.133	27%	0.268	C	S	.	.			trans	-80.8	142.7	-178.1	178.9	0	0	0	0	110.2	R744 V745 D752 I754 V755 R794	R744-V748 WeakPolarHBondContact O-CG2 3.37Å; V745-V748 PolarHBondContact O-N 3.08Å; V748-D752 HydrophobicContact CG1-CB 3.16Å; V748-D752 VanDerWaalsContact CG1-OD2 3.25Å; V748-D752 WeakPolarHBondContact CG1-OD2 2.89Å; V748-I754 HydrophobicContact CG1-CG2 4.3Å; V748-V755 HydrophobicContact CB-CG2 4.14Å; V748-V755 HydrophobicContact CG1-CG2 3.8Å; V748-R794 PolarHBondContact O-NH1 2.9Å; V748-R794 PolarHBondContact O-NH2 3.26Å; V748-R794 VanDerWaalsContact O-NH2 3.15Å
749	D	91.9	Very high	94.1	Very high	99 Å²	99	57.3 Å²	57.3	53%	0.529	28%	0.279	S	S	.	.			trans	-61.9	153.3	177.5	-173.4	-106.1	0	0	0	111.4	N751 D752 V755	D749-N751 PolarHBondContact O-N 3.07Å; D749-N751 WeakPolarHBondContact OD1-CB 3.28Å; D749-N751 PolarHBondContact OD1-N 3.21Å; D749-N751 PolarHBondContact OD1-ND2 3.29Å; D749-D752 WeakPolarHBondContact O-CB 3.21Å; D749-D752 PolarHBondContact O-N 3.39Å; D749-V755 WeakPolarHBondContact O-CG2 3.31Å
750	S	90.1	Very high	94	Very high	66 Å²	66	62.9 Å²	62.9	46%	0.462	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.1	-179.5	-58.9	0	0	0	0	113.1
751	N	91.3	Very high	93.6	Very high	121 Å²	121	66.1 Å²	66.1	65%	0.647	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.2	177.3	-57	-55.8	0	0	0	113.8	D749 Q756	D749-N751 PolarHBondContact O-N 3.07Å; D749-N751 WeakPolarHBondContact OD1-CB 3.28Å; D749-N751 PolarHBondContact OD1-N 3.21Å; D749-N751 PolarHBondContact OD1-ND2 3.29Å; N751-Q756 PolarHBondContact O-NE2 3.14Å; N751-Q756 VanDerWaalsContact O-NE2 3.11Å
752	D	94.1	Very high	93.2	Very high	64 Å²	64	66.2 Å²	66.2	34%	0.342	33%	0.325	S	S	.	.	S	Bend	trans	-65.6	141.7	176	-164.5	-60.3	0	0	0	110.7	V748 D749 I754 V755 Q756	V748-D752 HydrophobicContact CG1-CB 3.16Å; V748-D752 VanDerWaalsContact CG1-OD2 3.25Å; V748-D752 WeakPolarHBondContact CG1-OD2 2.89Å; D749-D752 WeakPolarHBondContact O-CB 3.21Å; D749-D752 PolarHBondContact O-N 3.39Å; D752-I754 VanDerWaalsContact C-N 3.29Å; D752-I754 PolarHBondContact O-N 3.01Å; D752-I754 WeakPolarHBondContact OD1-CG2 3.39Å; D752-I754 PolarHBondContact OD1-N 2.96Å; D752-V755 HydrophobicContact CB-CG2 4.39Å; D752-V755 PolarHBondContact O-N 3.26Å; D752-Q756 PolarHBondContact O-N 3.28Å
753	E	94.4	Very high	92.9	Very high	99 Å²	99	74.6 Å²	74.6	46%	0.463	36%	0.357	S	S	.	.	H	α-helix	trans	-57.6	-38.8	-174.8	-171.1	178.6	173	0	0	112.5	V755 Q756 R757 L846	E753-V755 VanDerWaalsContact C-N 3.31Å; E753-V755 PolarHBondContact O-N 3.26Å; E753-Q756 PolarHBondContact O-N 2.91Å; E753-R757 HydrophobicContact CG-CG 4.39Å; E753-R757 WeakPolarHBondContact O-CB 3.24Å; E753-R757 WeakPolarHBondContact O-CG 3.31Å; E753-R757 PolarHBondContact O-N 3.37Å; E753-R757 IonicContact OE1-CZ 3.62Å; E753-R757 VanDerWaalsContact OE1-CZ 3.23Å; E753-R757 IonicContact OE1-NE 2.77Å; E753-R757 PolarHBondContact OE1-NE 3.42Å; E753-R757 IonicContact OE1-NH2 2.93Å; E753-R757 PolarHBondContact OE1-NH2 3.32Å; E753-L846 HydrophobicContact CB-CD1 4.23Å; E753-L846 HydrophobicContact CG-CD1 4.3Å
754	I	94.2	Very high	92.6	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-62.6	-41.1	176.7	-179.8	58.8	0	0	0	111.2	V745 V748 D752 R757 L758 A843 L846 L847	V745-I754 HydrophobicContact CG1-CG1 3.71Å; V745-I754 HydrophobicContact CG1-CG2 3.93Å; V748-I754 HydrophobicContact CG1-CG2 4.3Å; D752-I754 VanDerWaalsContact C-N 3.29Å; D752-I754 PolarHBondContact O-N 3.01Å; D752-I754 WeakPolarHBondContact OD1-CG2 3.39Å; D752-I754 PolarHBondContact OD1-N 2.96Å; I754-R757 PolarHBondContact O-N 2.99Å; I754-L758 HydrophobicContact CD1-CD1 4.13Å; I754-L758 HydrophobicContact CD1-CG 4.07Å; I754-L758 HydrophobicContact CG1-CD1 3.99Å; I754-L758 HydrophobicContact CG1-CG 4.38Å; I754-L758 WeakPolarHBondContact O-CB 3.36Å; I754-L758 VanDerWaalsContact O-CG 3.26Å; I754-L758 WeakPolarHBondContact O-CG 3.37Å; I754-L758 PolarHBondContact O-N 2.84Å; I754-A843 HydrophobicContact CD1-CB 4.49Å; I754-L846 HydrophobicContact CB-CD1 4.16Å; I754-L846 HydrophobicContact CB-CD2 3.9Å; I754-L846 HydrophobicContact CD1-CD2 3.35Å; I754-L846 HydrophobicContact CG1-CD2 4.09Å; I754-L847 HydrophobicContact CD1-CD1 3.98Å; I754-L847 HydrophobicContact CD1-CG 4.35Å; I754-L847 HydrophobicContact CG1-CD1 4.15Å
755	V	95.3	Very high	92.5	Very high	6 Å²	6	72.8 Å²	72.8	4%	0.036	35%	0.354	C	S	.	.	H	α-helix	trans	-70.8	-40.6	-178.4	-178.6	0	0	0	0	110	V745 V748 D749 D752 E753 L758 E759	V745-V755 HydrophobicContact CB-CG2 4.42Å; V748-V755 HydrophobicContact CB-CG2 4.14Å; V748-V755 HydrophobicContact CG1-CG2 3.8Å; D749-V755 WeakPolarHBondContact O-CG2 3.31Å; D752-V755 HydrophobicContact CB-CG2 4.39Å; D752-V755 PolarHBondContact O-N 3.26Å; E753-V755 VanDerWaalsContact C-N 3.31Å; E753-V755 PolarHBondContact O-N 3.26Å; V755-L758 PolarHBondContact O-N 3.48Å; V755-E759 HydrophobicContact CG1-CG 4.36Å; V755-E759 WeakPolarHBondContact O-CG 3.26Å; V755-E759 PolarHBondContact O-N 3.36Å
756	Q	95.3	Very high	92.5	Very high	111 Å²	111	72.8 Å²	72.8	52%	0.519	35%	0.354	S	S	.	.	H	α-helix	trans	-61.3	-47.1	174.4	-68.3	-176.9	-0.6	0	0	111.8	N751 D752 E753 L758 E759 M760	N751-Q756 PolarHBondContact O-NE2 3.14Å; N751-Q756 VanDerWaalsContact O-NE2 3.11Å; D752-Q756 PolarHBondContact O-N 3.28Å; E753-Q756 PolarHBondContact O-N 2.91Å; Q756-L758 VanDerWaalsContact C-N 3.34Å; Q756-L758 PolarHBondContact O-N 3.28Å; Q756-E759 PolarHBondContact O-N 3.01Å; Q756-M760 WeakPolarHBondContact O-CB 3.35Å; Q756-M760 PolarHBondContact O-N 3.2Å
757	R	95	Very high	92.4	Very high	107 Å²	107	73.3 Å²	73.3	40%	0.404	37%	0.368	S	S	.	.	H	α-helix	trans	-62.4	-39.8	176.3	-73.1	-178.4	-177.6	-139.4	4.6	112.1	E753 I754 A843	E753-R757 HydrophobicContact CG-CG 4.39Å; E753-R757 WeakPolarHBondContact O-CB 3.24Å; E753-R757 WeakPolarHBondContact O-CG 3.31Å; E753-R757 PolarHBondContact O-N 3.37Å; E753-R757 IonicContact OE1-CZ 3.62Å; E753-R757 VanDerWaalsContact OE1-CZ 3.23Å; E753-R757 IonicContact OE1-NE 2.77Å; E753-R757 PolarHBondContact OE1-NE 3.42Å; E753-R757 IonicContact OE1-NH2 2.93Å; E753-R757 PolarHBondContact OE1-NH2 3.32Å; I754-R757 PolarHBondContact O-N 2.99Å; R757-A843 HydrophobicContact CB-CB 4.07Å
758	L	95.3	Very high	92.5	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64	-42.1	175.6	-79.5	171.4	0	0	0	112.1	I741 V745 I754 V755 Q756 I793 L797 H839 V840 A843	I741-L758 HydrophobicContact CG2-CD1 4.13Å; I741-L758 HydrophobicContact CG2-CD2 4.38Å; V745-L758 HydrophobicContact CB-CD1 4.47Å; V745-L758 HydrophobicContact CG1-CD1 3.77Å; V745-L758 HydrophobicContact CG2-CD1 4.3Å; I754-L758 HydrophobicContact CD1-CD1 4.13Å; I754-L758 HydrophobicContact CD1-CG 4.07Å; I754-L758 HydrophobicContact CG1-CD1 3.99Å; I754-L758 HydrophobicContact CG1-CG 4.38Å; I754-L758 WeakPolarHBondContact O-CB 3.36Å; I754-L758 VanDerWaalsContact O-CG 3.26Å; I754-L758 WeakPolarHBondContact O-CG 3.37Å; I754-L758 PolarHBondContact O-N 2.84Å; V755-L758 PolarHBondContact O-N 3.48Å; Q756-L758 VanDerWaalsContact C-N 3.34Å; Q756-L758 PolarHBondContact O-N 3.28Å; L758-I793 HydrophobicContact CD2-CG2 4.47Å; L758-I793 WeakPolarHBondContact O-CD1 3.45Å; L758-L797 HydrophobicContact CD2-CD1 4.5Å; L758-H839 PolarHBondContact O-NE2 2.86Å; L758-V840 HydrophobicContact CD2-CB 4.38Å; L758-V840 HydrophobicContact CD2-CG1 4.2Å; L758-V840 HydrophobicContact CD2-CG2 4.08Å; L758-A843 HydrophobicContact CD2-CB 3.66Å; L758-A843 HydrophobicContact CG-CB 3.96Å
759	E	95.6	Very high	92.5	Very high	54 Å²	54	65.9 Å²	65.9	25%	0.252	34%	0.341	S	S	.	.	H	α-helix	trans	-85.8	-15.1	-176.6	-62.1	-63.7	174.4	0	0	113.6	V755 Q756 N761 G762 S792 I793 R794	V755-E759 HydrophobicContact CG1-CG 4.36Å; V755-E759 WeakPolarHBondContact O-CG 3.26Å; V755-E759 PolarHBondContact O-N 3.36Å; Q756-E759 PolarHBondContact O-N 3.01Å; E759-N761 PolarHBondContact O-N 3.49Å; E759-G762 PolarHBondContact O-N 2.95Å; E759-S792 WeakPolarHBondContact OE1-CB 3.09Å; E759-S792 PolarHBondContact OE1-OG 3.2Å; E759-S792 VanDerWaalsContact OE2-CA 3.3Å; E759-S792 WeakPolarHBondContact OE2-CA 3.35Å; E759-I793 PolarHBondContact OE1-N 3.08Å; E759-I793 PolarHBondContact OE2-N 3.24Å; E759-R794 WeakPolarHBondContact OE1-CB 3.34Å; E759-R794 PolarHBondContact OE1-N 2.94Å
760	M	93	Very high	92.6	Very high	125 Å²	125	61.2 Å²	61.2	62%	0.616	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	127.3	175.9	-171.1	177.5	-176	0	0	110.7	Q756 G762 H839	Q756-M760 WeakPolarHBondContact O-CB 3.35Å; Q756-M760 PolarHBondContact O-N 3.2Å; M760-G762 PolarHBondContact O-N 2.59Å; M760-H839 PolarHBondContact O-CE1 3.13Å
761	N	88.9	Confident	92.7	Very high	113 Å²	113	60 Å²	60	60%	0.604	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	17.3	-174.9	-62	-36.5	0	0	0	115.1	E759 R763 N764	E759-N761 PolarHBondContact O-N 3.49Å; N761-R763 PolarHBondContact O-N 3.17Å; N761-R763 VanDerWaalsContact O-N 3.07Å; N761-N764 PolarHBondContact O-N 3.29Å
762	G	88.8	Confident	92.8	Very high	3 Å²	3	60.1 Å²	60.1	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-59.8	-29	-171.3	0	0	0	0	0	114.3	E759 M760 N764 V765 V766	E759-G762 PolarHBondContact O-N 2.95Å; M760-G762 PolarHBondContact O-N 2.59Å; G762-N764 PolarHBondContact O-N 3.34Å; G762-V765 WeakPolarHBondContact O-CB 3.34Å; G762-V765 PolarHBondContact O-N 2.88Å; G762-V765 VanDerWaalsContact O-N 3.08Å; G762-V766 VanDerWaalsContact O-CG2 3.28Å; G762-V766 WeakPolarHBondContact O-CG2 3.43Å; G762-V766 PolarHBondContact O-N 3.03Å
763	R	90	Very high	92.8	Very high	176 Å²	176	62 Å²	62	66%	0.664	31%	0.306	S	S	*	.	H	α-helix	trans	-54.8	-37.8	175.8	-170.4	179.6	179.9	177.1	-1.5	112.8	N761 G767 G768	N761-R763 PolarHBondContact O-N 3.17Å; N761-R763 VanDerWaalsContact O-N 3.07Å; R763-G767 PolarHBondContact O-N 3Å; R763-G767 VanDerWaalsContact O-N 3.12Å; R763-G768 PolarHBondContact O-N 2.9Å
764	N	91.5	Very high	92.8	Very high	119 Å²	119	58 Å²	58	64%	0.636	29%	0.288	S	S	*	.	H	α-helix	trans	-74.8	-39	179.2	-68.1	-10.8	0	0	0	111	N761 G762 G767	N761-N764 PolarHBondContact O-N 3.29Å; G762-N764 PolarHBondContact O-N 3.34Å; N764-G767 PolarHBondContact O-N 3.11Å
765	V	92.5	Very high	92.7	Very high	8 Å²	8	59.6 Å²	59.6	5%	0.048	30%	0.299	C	S	.	.	H	α-helix	trans	-65	-44.3	179.2	-177.3	0	0	0	0	111.4	G762 I793 L835 L836 H839	G762-V765 WeakPolarHBondContact O-CB 3.34Å; G762-V765 PolarHBondContact O-N 2.88Å; G762-V765 VanDerWaalsContact O-N 3.08Å; V765-I793 HydrophobicContact CB-CD1 3.92Å; V765-I793 HydrophobicContact CG1-CD1 4.04Å; V765-I793 HydrophobicContact CG1-CG1 4.47Å; V765-I793 HydrophobicContact CG2-CD1 4.14Å; V765-L835 HydrophobicContact CG1-CB 4.2Å; V765-L836 HydrophobicContact CG1-CB 4.46Å; V765-L836 HydrophobicContact CG1-CD1 4.34Å; V765-H839 HydrophobicContact CG1-CB 4.01Å; V765-H839 HydrophobicContact CG2-CB 3.95Å
766	V	93.2	Very high	92.6	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-84.7	-11.8	-178.9	-60	0	0	0	0	113.7	G762 G768 W770 I793 L796 F833	G762-V766 VanDerWaalsContact O-CG2 3.28Å; G762-V766 WeakPolarHBondContact O-CG2 3.43Å; G762-V766 PolarHBondContact O-N 3.03Å; V766-G768 WeakPolarHBondContact CG2-O 3.44Å; V766-W770 HydrophobicContact CB-CB 4.06Å; V766-W770 HydrophobicContact CG1-CB 4.49Å; V766-I793 HydrophobicContact CG1-CG1 3.7Å; V766-L796 HydrophobicContact CG1-CD2 4.08Å; V766-F833 WeakPolarHBondContact O-CE1 3.36Å
767	G	89.3	Confident	92.5	Very high	43 Å²	43	62.2 Å²	62.2	44%	0.443	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	43.5	-175.5	0	0	0	0	0	113.2	R763 N764 N769	R763-G767 PolarHBondContact O-N 3Å; R763-G767 VanDerWaalsContact O-N 3.12Å; N764-G767 PolarHBondContact O-N 3.11Å; G767-N769 PolarHBondContact O-N 3.34Å
768	G	91	Very high	92.4	Very high	21 Å²	21	57.1 Å²	57.1	22%	0.216	30%	0.295	C	S	.	.	S	Bend	trans	88.8	-91.3	-178	0	0	0	0	0	112.9	R763 V766	R763-G768 PolarHBondContact O-N 2.9Å; V766-G768 WeakPolarHBondContact CG2-O 3.44Å
769	N	92.7	Very high	92.3	Very high	48 Å²	48	58.8 Å²	58.8	26%	0.257	30%	0.302	S	S	.	.			trans	-116.6	109.7	174.1	-176.7	-13	0	0	0	109.4	G767 Q771 N772 G790	G767-N769 PolarHBondContact O-N 3.34Å; N769-Q771 PolarHBondContact O-N 3.37Å; N769-Q771 VanDerWaalsContact O-N 3.16Å; N769-Q771 VanDerWaalsContact OD1-CB 3.27Å; N769-Q771 WeakPolarHBondContact OD1-CB 3.33Å; N769-Q771 PolarHBondContact OD1-N 3.12Å; N769-N772 WeakPolarHBondContact O-CB 3.3Å; N769-N772 PolarHBondContact O-N 3.05Å; N769-G790 CarbonylContact C-O 3.52Å; N769-G790 VanDerWaalsContact CA-O 3.29Å; N769-G790 WeakPolarHBondContact CA-O 3.06Å; N769-G790 WeakPolarHBondContact OD1-CA 3.46Å; N769-G790 PolarHBondContact OD1-O 3.04Å
770	W	94.2	Very high	92	Very high	1 Å²	1	60.2 Å²	60.2	0%	0.004	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-62	-24.8	-177.4	58.3	-104	0	0	0	113.2	V766 N772 R773 I774 L782 Y788 R789 G790 S792 D795 L796 A799 F833	V766-W770 HydrophobicContact CB-CB 4.06Å; V766-W770 HydrophobicContact CG1-CB 4.49Å; W770-N772 PolarHBondContact O-N 3.2Å; W770-R773 PolarHBondContact O-N 2.9Å; W770-I774 HydrophobicContact CE3-CD1 4.24Å; W770-I774 HydrophobicContact CZ3-CD1 3.9Å; W770-I774 PolarHBondContact O-N 3.44Å; W770-L782 HydrophobicContact CH2-CD1 4.09Å; W770-L782 HydrophobicContact CZ3-CD1 3.82Å; W770-Y788 HydrophobicContact CH2-CD1 4.4Å; W770-Y788 HydrophobicContact CH2-CG 4.09Å; W770-Y788 HydrophobicContact CZ2-CD1 4.4Å; W770-Y788 HydrophobicContact CZ2-CG 4.22Å; W770-R789 PolarHBondContact NE1-O 2.75Å; W770-R789 VanDerWaalsContact NE1-O 3.12Å; W770-G790 PolarHBondContact N-O 2.9Å; W770-G790 PolarHBondContact NE1-O 3.14Å; W770-S792 PolarHBondContact NE1-O 2.86Å; W770-D795 HydrophobicContact CZ2-CB 4.47Å; W770-L796 HydrophobicContact CB-CD1 4.33Å; W770-L796 HydrophobicContact CB-CD2 4.32Å; W770-L796 HydrophobicContact CD2-CB 4.29Å; W770-L796 HydrophobicContact CD2-CD1 3.88Å; W770-L796 HydrophobicContact CE3-CD1 3.94Å; W770-L796 HydrophobicContact CG-CB 4.22Å; W770-L796 HydrophobicContact CG-CD1 4.08Å; W770-L796 HydrophobicContact CG-CD2 4.41Å; W770-L796 HydrophobicContact CG-CG 4.47Å; W770-L796 HydrophobicContact CZ3-CD1 4.48Å; W770-A799 HydrophobicContact CH2-CB 3.94Å; W770-A799 HydrophobicContact CZ3-CB 4.48Å; W770-F833 HydrophobicContact CB-CE1 3.52Å; W770-F833 HydrophobicContact CB-CZ 3.57Å
771	Q	92.2	Very high	92	Very high	42 Å²	42	55 Å²	55	20%	0.196	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-63.4	-22.6	177.4	-64	172.5	-32.3	0	0	112.3	N769 R773 I774 Q779 Y788	N769-Q771 PolarHBondContact O-N 3.37Å; N769-Q771 VanDerWaalsContact O-N 3.16Å; N769-Q771 VanDerWaalsContact OD1-CB 3.27Å; N769-Q771 WeakPolarHBondContact OD1-CB 3.33Å; N769-Q771 PolarHBondContact OD1-N 3.12Å; Q771-R773 VanDerWaalsContact C-N 3.3Å; Q771-I774 WeakPolarHBondContact O-CG1 3.44Å; Q771-Q779 PolarHBondContact O-NE2 3.19Å; Q771-Y788 PolarHBondContact NE2-O 3.15Å
772	N	92.8	Very high	92.2	Very high	122 Å²	122	50 Å²	50	65%	0.652	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-85.6	-3.8	177.4	-62.1	-4.8	0	0	0	112.7	N769 W770	N769-N772 WeakPolarHBondContact O-CB 3.3Å; N769-N772 PolarHBondContact O-N 3.05Å; W770-N772 PolarHBondContact O-N 3.2Å
773	R	93.2	Very high	92.2	Very high	103 Å²	103	57.5 Å²	57.5	39%	0.389	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-8	-176.2	-55.4	-165.4	71.7	-144.7	-7.3	113.2	W770 Q771 R832 F833	W770-R773 PolarHBondContact O-N 2.9Å; Q771-R773 VanDerWaalsContact C-N 3.3Å; R773-R832 PolarHBondContact NH1-O 3.41Å; R773-R832 PolarHBondContact NH2-O 3.28Å; R773-R832 WeakPolarHBondContact O-CD 3.45Å; R773-R832 PolarHBondContact O-NE 2.97Å; R773-F833 HydrophobicContact CB-CE1 3.89Å; R773-F833 HydrophobicContact CB-CZ 3.92Å; R773-F833 HydrophobicContact CG-CE1 4.42Å
774	I	94	Very high	92.1	Very high	15 Å²	15	58.5 Å²	58.5	8%	0.077	29%	0.29	C	S	.	.	S	Bend	trans	-91.6	160.8	170.7	57.3	167.5	0	0	0	110.3	W770 Q771 L778 Q779 L782 Y828 F833	W770-I774 HydrophobicContact CE3-CD1 4.24Å; W770-I774 HydrophobicContact CZ3-CD1 3.9Å; W770-I774 PolarHBondContact O-N 3.44Å; Q771-I774 WeakPolarHBondContact O-CG1 3.44Å; I774-L778 HydrophobicContact CB-CD2 4.11Å; I774-L778 HydrophobicContact CD1-CB 4.5Å; I774-L778 HydrophobicContact CD1-CD2 4.29Å; I774-L778 HydrophobicContact CD1-CG 4.1Å; I774-L778 HydrophobicContact CG2-CD2 4.16Å; I774-Q779 HydrophobicContact CD1-CB 4.12Å; I774-Q779 HydrophobicContact CG1-CB 4.42Å; I774-L782 HydrophobicContact CD1-CD1 3.66Å; I774-Y828 HydrophobicContact CG2-CE1 4.21Å; I774-F833 HydrophobicContact CG2-CE2 4.23Å; I774-F833 HydrophobicContact CG2-CZ 4.24Å
775	C	93.6	Very high	91.8	Very high	35 Å²	35	60.3 Å²	60.3	24%	0.236	29%	0.293	C	S	.	.			trans	-69.9	154.1	177.7	64	0	0	0	0	111.9	A777 L778 Q779 Y828	C775-A777 VanDerWaalsContact C-N 3.34Å; C775-A777 PolarHBondContact O-N 3.47Å; C775-L778 PolarHBondContact O-N 3.01Å; C775-L778 VanDerWaalsContact O-N 3.13Å; C775-Q779 PolarHBondContact O-N 2.84Å; C775-Y828 PolarHBondContact N-OH 3.16Å; C775-Y828 PolarHBondContact SG-OH 3.01Å
776	E	92.9	Very high	91.5	Very high	155 Å²	155	65 Å²	65	72%	0.724	31%	0.31	S	S	*	.	H	α-helix	trans	-56.2	-45.3	-178.2	-65.3	-177.6	167.1	0	0	112.1	L778 Q779 D780	E776-L778 VanDerWaalsContact C-N 3.31Å; E776-L778 PolarHBondContact O-N 3.19Å; E776-Q779 WeakPolarHBondContact O-CA 3.4Å; E776-Q779 WeakPolarHBondContact O-CB 3.29Å; E776-Q779 PolarHBondContact O-N 3.48Å; E776-D780 PolarHBondContact O-N 3.22Å
777	A	92.3	Very high	91.3	Very high	16 Å²	16	70.5 Å²	70.5	13%	0.132	35%	0.348	C	S	.	.	H	α-helix	trans	-54.8	-43.7	177	0	0	0	0	0	113	C775 D781 E813 V814	C775-A777 VanDerWaalsContact C-N 3.34Å; C775-A777 PolarHBondContact O-N 3.47Å; A777-D781 WeakPolarHBondContact O-CB 3.18Å; A777-D781 PolarHBondContact O-N 3.44Å; A777-D781 VanDerWaalsContact O-N 3.15Å; A777-E813 HydrophobicContact CB-CG 3.78Å; A777-V814 HydrophobicContact CB-CG2 4.06Å; A777-V814 WeakPolarHBondContact O-CG2 3.31Å
778	L	93.5	Very high	91.5	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-71.7	-35.3	177.2	179.6	59.7	0	0	0	111.6	I774 C775 E776 D781 L782 K803 V814 L818 Y828	I774-L778 HydrophobicContact CB-CD2 4.11Å; I774-L778 HydrophobicContact CD1-CB 4.5Å; I774-L778 HydrophobicContact CD1-CD2 4.29Å; I774-L778 HydrophobicContact CD1-CG 4.1Å; I774-L778 HydrophobicContact CG2-CD2 4.16Å; C775-L778 PolarHBondContact O-N 3.01Å; C775-L778 VanDerWaalsContact O-N 3.13Å; E776-L778 VanDerWaalsContact C-N 3.31Å; E776-L778 PolarHBondContact O-N 3.19Å; L778-D781 PolarHBondContact O-N 3.36Å; L778-L782 HydrophobicContact CD1-CD1 4.28Å; L778-L782 HydrophobicContact CD1-CG 4.21Å; L778-L782 HydrophobicContact CG-CD1 4.06Å; L778-L782 HydrophobicContact CG-CG 4.46Å; L778-L782 WeakPolarHBondContact O-CB 3.44Å; L778-L782 VanDerWaalsContact O-CG 3.26Å; L778-L782 WeakPolarHBondContact O-CG 3.4Å; L778-L782 PolarHBondContact O-N 2.75Å; L778-K803 HydrophobicContact CD1-CD 3.97Å; L778-K803 HydrophobicContact CD1-CG 3.93Å; L778-V814 HydrophobicContact CD1-CG1 3.96Å; L778-L818 HydrophobicContact CD1-CD1 4.4Å; L778-L818 HydrophobicContact CD2-CD2 3.91Å; L778-Y828 HydrophobicContact CD2-CE1 3.64Å; L778-Y828 WeakPolarHBondContact CD2-OH 3.5Å
779	Q	92.4	Very high	91.5	Very high	35 Å²	35	74.7 Å²	74.7	16%	0.164	34%	0.344	C	S	.	.	H	α-helix	trans	-62.7	-46.1	177.5	-166.6	-177.6	25.3	0	0	111.3	Q771 I774 C775 E776 L782 R783	Q771-Q779 PolarHBondContact O-NE2 3.19Å; I774-Q779 HydrophobicContact CD1-CB 4.12Å; I774-Q779 HydrophobicContact CG1-CB 4.42Å; C775-Q779 PolarHBondContact O-N 2.84Å; E776-Q779 WeakPolarHBondContact O-CA 3.4Å; E776-Q779 WeakPolarHBondContact O-CB 3.29Å; E776-Q779 PolarHBondContact O-N 3.48Å; Q779-L782 PolarHBondContact O-N 2.66Å; Q779-R783 WeakPolarHBondContact O-CG 3.27Å; Q779-R783 PolarHBondContact O-N 3Å; Q779-R783 VanDerWaalsContact O-N 3.14Å
780	D	91	Very high	91.5	Very high	84 Å²	84	72.8 Å²	72.8	45%	0.449	34%	0.336	S	S	.	.	H	α-helix	trans	-65.2	-42.9	177.9	-74.5	-17.2	0	0	0	111.9	E776 L782 R783 R784	E776-D780 PolarHBondContact O-N 3.22Å; D780-L782 VanDerWaalsContact C-N 3.32Å; D780-L782 PolarHBondContact O-N 2.88Å; D780-R783 PolarHBondContact O-N 2.84Å; D780-R784 WeakPolarHBondContact O-CG 3.09Å; D780-R784 PolarHBondContact O-N 3.14Å
781	D	92.4	Very high	91.4	Very high	15 Å²	15	81.5 Å²	81.5	8%	0.08	37%	0.369	C	S	.	.	H	α-helix	trans	-65.6	-32.4	177.5	-174.7	60	0	0	0	112.6	A777 L778 F785 K803 L810 V814	A777-D781 WeakPolarHBondContact O-CB 3.18Å; A777-D781 PolarHBondContact O-N 3.44Å; A777-D781 VanDerWaalsContact O-N 3.15Å; L778-D781 PolarHBondContact O-N 3.36Å; D781-F785 WeakPolarHBondContact O-CD2 3.2Å; D781-K803 WeakPolarHBondContact OD2-CE 3.37Å; D781-K803 IonicContact OD2-NZ 3.73Å; D781-K803 PolarHBondContact OD2-NZ 2.99Å; D781-L810 WeakPolarHBondContact OD2-CD2 3.5Å; D781-V814 HydrophobicContact CB-CG2 3.86Å
782	L	92.4	Very high	91.5	Very high	7 Å²	7	79.8 Å²	79.8	4%	0.037	36%	0.361	C	S	.	.	H	α-helix	trans	-70	-41.3	173	-75.1	167.5	0	0	0	112.4	W770 I774 L778 Q779 D780 R784 F785 R786 Y788 A799 K803	W770-L782 HydrophobicContact CH2-CD1 4.09Å; W770-L782 HydrophobicContact CZ3-CD1 3.82Å; I774-L782 HydrophobicContact CD1-CD1 3.66Å; L778-L782 HydrophobicContact CD1-CD1 4.28Å; L778-L782 HydrophobicContact CD1-CG 4.21Å; L778-L782 HydrophobicContact CG-CD1 4.06Å; L778-L782 HydrophobicContact CG-CG 4.46Å; L778-L782 WeakPolarHBondContact O-CB 3.44Å; L778-L782 VanDerWaalsContact O-CG 3.26Å; L778-L782 WeakPolarHBondContact O-CG 3.4Å; L778-L782 PolarHBondContact O-N 2.75Å; Q779-L782 PolarHBondContact O-N 2.66Å; D780-L782 VanDerWaalsContact C-N 3.32Å; D780-L782 PolarHBondContact O-N 2.88Å; L782-R784 PolarHBondContact O-N 3.42Å; L782-F785 PolarHBondContact O-N 3.21Å; L782-R786 PolarHBondContact O-N 3.02Å; L782-R786 VanDerWaalsContact O-O 3.1Å; L782-Y788 HydrophobicContact CB-CD2 4.24Å; L782-Y788 HydrophobicContact CB-CE2 4.02Å; L782-Y788 HydrophobicContact CD2-CD2 4.33Å; L782-Y788 HydrophobicContact CD2-CE2 3.62Å; L782-Y788 HydrophobicContact CG-CE2 4.41Å; L782-A799 HydrophobicContact CD1-CB 4.34Å; L782-A799 HydrophobicContact CD2-CB 3.82Å; L782-K803 HydrophobicContact CD2-CD 4.45Å; L782-K803 HydrophobicContact CD2-CG 4.36Å
783	R	89.3	Confident	91.7	Very high	161 Å²	161	74 Å²	74	61%	0.608	33%	0.33	S	S	*	.	H	α-helix	trans	-62.9	-27.3	-178.4	-73.9	174.8	-175.3	-162.8	7.4	113.4	Q779 D780 F785	Q779-R783 WeakPolarHBondContact O-CG 3.27Å; Q779-R783 PolarHBondContact O-N 3Å; Q779-R783 VanDerWaalsContact O-N 3.14Å; D780-R783 PolarHBondContact O-N 2.84Å; R783-F785 PolarHBondContact O-N 2.62Å
784	R	87.5	Confident	91.8	Very high	197 Å²	197	70.2 Å²	70.2	74%	0.743	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-32	-178.8	-73.5	176.8	-176.4	-170.1	1.2	114.3	D780 L782	D780-R784 WeakPolarHBondContact O-CG 3.09Å; D780-R784 PolarHBondContact O-N 3.14Å; L782-R784 PolarHBondContact O-N 3.42Å
785	F	84.4	Confident	91.8	Very high	157 Å²	157	69.7 Å²	69.7	69%	0.689	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-31.7	-169	-60.5	-78	0	0	0	114.2	D781 L782 R783	D781-F785 WeakPolarHBondContact O-CD2 3.2Å; L782-F785 PolarHBondContact O-N 3.21Å; R783-F785 PolarHBondContact O-N 2.62Å
786	R	87.3	Confident	92	Very high	107 Å²	107	68 Å²	68	40%	0.404	30%	0.302	S	S	.	.			trans	-156.6	147.8	-175.8	-154.9	178.3	-153.2	178.2	3.6	111.3	E746 L782 Y788	E746-R786 IonicContact OE1-CZ 2.79Å; E746-R786 IonicContact OE1-NH1 3.92Å; E746-R786 PolarHBondContact OE1-NH1 2.86Å; E746-R786 IonicContact OE1-NH2 3.72Å; L782-R786 PolarHBondContact O-N 3.02Å; L782-R786 VanDerWaalsContact O-O 3.1Å; R786-Y788 HydrophobicContact CB-CD2 4.37Å; R786-Y788 HydrophobicContact CB-CE2 3.72Å; R786-Y788 WeakPolarHBondContact O-CD2 3.28Å; R786-Y788 WeakPolarHBondContact O-CE2 3.46Å
787	S	89	Confident	92.2	Very high	115 Å²	115	60.7 Å²	60.7	80%	0.804	27%	0.268	S	S	*	.			trans	-77.3	136.5	164.1	53.7	0	0	0	0	110
788	Y	92.7	Very high	92.3	Very high	22 Å²	22	61.1 Å²	61.1	9%	0.086	27%	0.266	C	S	.	.			trans	-125.8	139.3	177.1	-63.2	-93.7	0	0	0	109.7	W770 Q771 L782 R786 G790 D795 R798 A799 N802	W770-Y788 HydrophobicContact CH2-CD1 4.4Å; W770-Y788 HydrophobicContact CH2-CG 4.09Å; W770-Y788 HydrophobicContact CZ2-CD1 4.4Å; W770-Y788 HydrophobicContact CZ2-CG 4.22Å; Q771-Y788 PolarHBondContact NE2-O 3.15Å; L782-Y788 HydrophobicContact CB-CD2 4.24Å; L782-Y788 HydrophobicContact CB-CE2 4.02Å; L782-Y788 HydrophobicContact CD2-CD2 4.33Å; L782-Y788 HydrophobicContact CD2-CE2 3.62Å; L782-Y788 HydrophobicContact CG-CE2 4.41Å; R786-Y788 HydrophobicContact CB-CD2 4.37Å; R786-Y788 HydrophobicContact CB-CE2 3.72Å; R786-Y788 WeakPolarHBondContact O-CD2 3.28Å; R786-Y788 WeakPolarHBondContact O-CE2 3.46Å; Y788-G790 PolarHBondContact O-N 2.87Å; Y788-D795 HydrophobicContact CD1-CB 4.24Å; Y788-D795 WeakPolarHBondContact CD1-O 3.25Å; Y788-R798 HydrophobicContact CE1-CG 4.07Å; Y788-A799 HydrophobicContact CD1-CB 4.11Å; Y788-A799 HydrophobicContact CE1-CB 3.82Å; Y788-N802 PolarHBondContact OH-ND2 2.83Å
789	R	91.9	Very high	92.4	Very high	131 Å²	131	61.2 Å²	61.2	49%	0.494	27%	0.267	S	S	.	.			trans	-81.5	111.7	173.7	-60.3	173.3	-65.6	173.3	4.9	109	W770 R791 S792 D795	W770-R789 PolarHBondContact NE1-O 2.75Å; W770-R789 VanDerWaalsContact NE1-O 3.12Å; R789-R791 PolarHBondContact O-N 3.43Å; R789-S792 PolarHBondContact O-N 3.12Å; R789-D795 WeakPolarHBondContact CB-OD2 3.45Å; R789-D795 WeakPolarHBondContact CG-OD2 3.49Å; R789-D795 IonicContact CZ-OD2 3.8Å; R789-D795 PolarHBondContact N-OD2 3.41Å; R789-D795 IonicContact NE-OD2 3.68Å; R789-D795 PolarHBondContact NE-OD2 3.48Å; R789-D795 IonicContact NH2-OD2 3.53Å
790	G	91.8	Very high	92.6	Very high	8 Å²	8	59.7 Å²	59.7	8%	0.082	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.1	-178.5	0	0	0	0	0	116.4	N769 W770 Y788	N769-G790 CarbonylContact C-O 3.52Å; N769-G790 VanDerWaalsContact CA-O 3.29Å; N769-G790 WeakPolarHBondContact CA-O 3.06Å; N769-G790 WeakPolarHBondContact OD1-CA 3.46Å; N769-G790 PolarHBondContact OD1-O 3.04Å; W770-G790 PolarHBondContact N-O 2.9Å; W770-G790 PolarHBondContact NE1-O 3.14Å; Y788-G790 PolarHBondContact O-N 2.87Å
791	R	93.2	Very high	92.8	Very high	183 Å²	183	57.7 Å²	57.7	69%	0.691	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-8.3	176.5	-60.9	-176	-176.3	174.4	2.4	113.6	R789	R789-R791 PolarHBondContact O-N 3.43Å
792	S	94.6	Very high	93	Very high	6 Å²	6	58.2 Å²	58.2	4%	0.042	25%	0.249	C	C	.	.			trans	-93.8	128	-173.5	167.6	0	0	0	0	111.1	E759 W770 R789 R794 D795 L796	E759-S792 WeakPolarHBondContact OE1-CB 3.09Å; E759-S792 PolarHBondContact OE1-OG 3.2Å; E759-S792 VanDerWaalsContact OE2-CA 3.3Å; E759-S792 WeakPolarHBondContact OE2-CA 3.35Å; W770-S792 PolarHBondContact NE1-O 2.86Å; R789-S792 PolarHBondContact O-N 3.12Å; S792-R794 PolarHBondContact OG-N 3.07Å; S792-D795 PolarHBondContact O-N 3.17Å; S792-D795 PolarHBondContact OG-N 3.26Å; S792-D795 VanDerWaalsContact OG-N 3.13Å; S792-L796 PolarHBondContact O-N 3.26Å
793	I	95.9	Very high	93.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-68.8	-39.9	172.9	-71.7	164.5	0	0	0	110	L758 E759 V765 V766 D795 L796 L797 L836 V840	L758-I793 HydrophobicContact CD2-CG2 4.47Å; L758-I793 WeakPolarHBondContact O-CD1 3.45Å; E759-I793 PolarHBondContact OE1-N 3.08Å; E759-I793 PolarHBondContact OE2-N 3.24Å; V765-I793 HydrophobicContact CB-CD1 3.92Å; V765-I793 HydrophobicContact CG1-CD1 4.04Å; V765-I793 HydrophobicContact CG1-CG1 4.47Å; V765-I793 HydrophobicContact CG2-CD1 4.14Å; V766-I793 HydrophobicContact CG1-CG1 3.7Å; I793-D795 VanDerWaalsContact C-N 3.28Å; I793-D795 PolarHBondContact O-N 3.32Å; I793-L796 WeakPolarHBondContact O-CB 3.3Å; I793-L796 PolarHBondContact O-N 3.35Å; I793-L796 VanDerWaalsContact O-N 3.11Å; I793-L797 HydrophobicContact CG2-CD1 4.18Å; I793-L797 HydrophobicContact CG2-CG 4.28Å; I793-L797 WeakPolarHBondContact O-CG 3.4Å; I793-L797 PolarHBondContact O-N 3.01Å; I793-L836 HydrophobicContact CG2-CD1 4.14Å; I793-V840 HydrophobicContact CG2-CG2 4.19Å
794	R	95.7	Very high	93.3	Very high	24 Å²	24	55 Å²	55	9%	0.091	24%	0.237	C	C	.	.	H	α-helix	trans	-56.1	-43.2	175.2	173.9	174.9	167.2	-176.9	1.7	111.8	V745 E746 V748 E759 S792 L797 R798	V745-R794 HydrophobicContact CG2-CG 3.97Å; V745-R794 PolarHBondContact O-NE 3.06Å; V745-R794 VanDerWaalsContact O-NE 3.17Å; V745-R794 PolarHBondContact O-NH2 3.38Å; E746-R794 PolarHBondContact O-NH2 2.83Å; V748-R794 PolarHBondContact O-NH1 2.9Å; V748-R794 PolarHBondContact O-NH2 3.26Å; V748-R794 VanDerWaalsContact O-NH2 3.15Å; E759-R794 WeakPolarHBondContact OE1-CB 3.34Å; E759-R794 PolarHBondContact OE1-N 2.94Å; S792-R794 PolarHBondContact OG-N 3.07Å; R794-L797 PolarHBondContact O-N 2.84Å; R794-R798 VanDerWaalsContact O-CB 3.3Å; R794-R798 WeakPolarHBondContact O-CB 3.41Å; R794-R798 PolarHBondContact O-N 3.41Å
795	D	94.8	Very high	93.7	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.027	23%	0.233	C	C	.	.	H	α-helix	trans	-71.9	-30.5	178.1	-76.8	-13.3	0	0	0	112.9	W770 Y788 R789 S792 I793 R798 A799	W770-D795 HydrophobicContact CZ2-CB 4.47Å; Y788-D795 HydrophobicContact CD1-CB 4.24Å; Y788-D795 WeakPolarHBondContact CD1-O 3.25Å; R789-D795 WeakPolarHBondContact CB-OD2 3.45Å; R789-D795 WeakPolarHBondContact CG-OD2 3.49Å; R789-D795 IonicContact CZ-OD2 3.8Å; R789-D795 PolarHBondContact N-OD2 3.41Å; R789-D795 IonicContact NE-OD2 3.68Å; R789-D795 PolarHBondContact NE-OD2 3.48Å; R789-D795 IonicContact NH2-OD2 3.53Å; S792-D795 PolarHBondContact O-N 3.17Å; S792-D795 PolarHBondContact OG-N 3.26Å; S792-D795 VanDerWaalsContact OG-N 3.13Å; I793-D795 VanDerWaalsContact C-N 3.28Å; I793-D795 PolarHBondContact O-N 3.32Å; D795-R798 IonicContact OD1-CZ 2.57Å; D795-R798 IonicContact OD1-NH1 3.78Å; D795-R798 PolarHBondContact OD1-NH1 2.99Å; D795-A799 WeakPolarHBondContact O-CB 3.37Å; D795-A799 PolarHBondContact O-N 2.71Å
796	L	96.4	Very high	94.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-46	171.3	176.4	59.1	0	0	0	111.6	V766 W770 S792 I793 R798 A799 L800 F829 F833 L836	V766-L796 HydrophobicContact CG1-CD2 4.08Å; W770-L796 HydrophobicContact CB-CD1 4.33Å; W770-L796 HydrophobicContact CB-CD2 4.32Å; W770-L796 HydrophobicContact CD2-CB 4.29Å; W770-L796 HydrophobicContact CD2-CD1 3.88Å; W770-L796 HydrophobicContact CE3-CD1 3.94Å; W770-L796 HydrophobicContact CG-CB 4.22Å; W770-L796 HydrophobicContact CG-CD1 4.08Å; W770-L796 HydrophobicContact CG-CD2 4.41Å; W770-L796 HydrophobicContact CG-CG 4.47Å; W770-L796 HydrophobicContact CZ3-CD1 4.48Å; S792-L796 PolarHBondContact O-N 3.26Å; I793-L796 WeakPolarHBondContact O-CB 3.3Å; I793-L796 PolarHBondContact O-N 3.35Å; I793-L796 VanDerWaalsContact O-N 3.11Å; L796-R798 VanDerWaalsContact C-N 3.33Å; L796-R798 PolarHBondContact O-N 3.37Å; L796-A799 WeakPolarHBondContact O-CB 3.35Å; L796-A799 PolarHBondContact O-N 3.46Å; L796-L800 PolarHBondContact O-N 3.06Å; L796-F829 HydrophobicContact CD1-CD1 4.42Å; L796-F829 HydrophobicContact CD1-CE1 4.45Å; L796-F833 HydrophobicContact CD1-CD2 4.47Å; L796-F833 HydrophobicContact CD1-CE2 4.02Å; L796-F833 HydrophobicContact CD1-CZ 4.42Å; L796-F833 HydrophobicContact CD2-CD1 4.36Å; L796-F833 HydrophobicContact CD2-CD2 4.06Å; L796-F833 HydrophobicContact CD2-CE2 4.24Å; L796-F833 HydrophobicContact CD2-CG 4.13Å; L796-F833 HydrophobicContact CD2-CZ 4.48Å; L796-L836 HydrophobicContact CD2-CD1 4.08Å; L796-L836 HydrophobicContact CD2-CD2 4.1Å
797	L	97	Very high	94.5	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-61.5	-42.6	176.3	-69.7	178.3	0	0	0	111.7	L738 I741 S742 L758 I793 R794 A799 L800 R801 L836 V840	L738-L797 HydrophobicContact CB-CD2 4.24Å; L738-L797 HydrophobicContact CD2-CD2 3.86Å; I741-L797 HydrophobicContact CG2-CD1 3.87Å; S742-L797 PolarHBondContact OG-O 3.45Å; L758-L797 HydrophobicContact CD2-CD1 4.5Å; I793-L797 HydrophobicContact CG2-CD1 4.18Å; I793-L797 HydrophobicContact CG2-CG 4.28Å; I793-L797 WeakPolarHBondContact O-CG 3.4Å; I793-L797 PolarHBondContact O-N 3.01Å; R794-L797 PolarHBondContact O-N 2.84Å; L797-A799 PolarHBondContact O-N 2.99Å; L797-L800 WeakPolarHBondContact O-CB 3.37Å; L797-L800 PolarHBondContact O-N 3.14Å; L797-R801 WeakPolarHBondContact O-CB 3.14Å; L797-R801 PolarHBondContact O-N 3.15Å; L797-L836 HydrophobicContact CD2-CD1 4.39Å; L797-V840 HydrophobicContact CD1-CG1 4.26Å; L797-V840 HydrophobicContact CD1-CG2 4.02Å; L797-V840 HydrophobicContact CD2-CG2 4.21Å
798	R	95.9	Very high	94.8	Very high	25 Å²	25	46.7 Å²	46.7	9%	0.094	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-43	173.8	174.6	-172.8	-78	166.7	-3.9	112.3	S742 E746 Y788 R794 D795 L796 R801 N802	S742-R798 WeakPolarHBondContact OG-CA 3.32Å; S742-R798 PolarHBondContact OG-N 3.28Å; E746-R798 VanDerWaalsContact CD-NH2 3.32Å; E746-R798 PolarHBondContact O-NH2 2.97Å; E746-R798 IonicContact OE1-CZ 3.8Å; E746-R798 IonicContact OE1-NE 2.79Å; E746-R798 PolarHBondContact OE1-NE 3.44Å; E746-R798 IonicContact OE1-NH2 3.52Å; E746-R798 IonicContact OE2-CZ 2.7Å; E746-R798 IonicContact OE2-NE 2.69Å; E746-R798 PolarHBondContact OE2-NE 3.43Å; E746-R798 IonicContact OE2-NH2 2.66Å; E746-R798 PolarHBondContact OE2-NH2 3.25Å; Y788-R798 HydrophobicContact CE1-CG 4.07Å; R794-R798 VanDerWaalsContact O-CB 3.3Å; R794-R798 WeakPolarHBondContact O-CB 3.41Å; R794-R798 PolarHBondContact O-N 3.41Å; D795-R798 IonicContact OD1-CZ 2.57Å; D795-R798 IonicContact OD1-NH1 3.78Å; D795-R798 PolarHBondContact OD1-NH1 2.99Å; L796-R798 VanDerWaalsContact C-N 3.33Å; L796-R798 PolarHBondContact O-N 3.37Å; R798-R801 PolarHBondContact O-N 2.84Å; R798-N802 WeakPolarHBondContact O-CB 3.42Å; R798-N802 PolarHBondContact O-N 3.22Å; R798-N802 PolarHBondContact O-ND2 3.11Å; R798-N802 PolarHBondContact O-OD1 3.32Å
799	A	95.7	Very high	94.8	Very high	3 Å²	3	52.9 Å²	52.9	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-47.8	175.3	0	0	0	0	0	110.9	W770 L782 Y788 D795 L796 L797 N802 K803	W770-A799 HydrophobicContact CH2-CB 3.94Å; W770-A799 HydrophobicContact CZ3-CB 4.48Å; L782-A799 HydrophobicContact CD1-CB 4.34Å; L782-A799 HydrophobicContact CD2-CB 3.82Å; Y788-A799 HydrophobicContact CD1-CB 4.11Å; Y788-A799 HydrophobicContact CE1-CB 3.82Å; D795-A799 WeakPolarHBondContact O-CB 3.37Å; D795-A799 PolarHBondContact O-N 2.71Å; L796-A799 WeakPolarHBondContact O-CB 3.35Å; L796-A799 PolarHBondContact O-N 3.46Å; L797-A799 PolarHBondContact O-N 2.99Å; A799-N802 PolarHBondContact O-N 3.37Å; A799-K803 VanDerWaalsContact O-CG 3.32Å; A799-K803 WeakPolarHBondContact O-CG 3.49Å; A799-K803 PolarHBondContact O-N 2.55Å
800	L	95.7	Very high	94.8	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-56.7	-51.4	175.3	-178.9	162.2	0	0	0	111.3	L735 L738 Q739 L796 L797 N802 K803 R804 F825 F829	L735-L800 HydrophobicContact CD1-CD2 3.81Å; L738-L800 HydrophobicContact CD1-CD1 3.98Å; Q739-L800 HydrophobicContact CG-CD2 4.26Å; L796-L800 PolarHBondContact O-N 3.06Å; L797-L800 WeakPolarHBondContact O-CB 3.37Å; L797-L800 PolarHBondContact O-N 3.14Å; L800-N802 PolarHBondContact O-N 2.93Å; L800-K803 PolarHBondContact O-N 3.05Å; L800-R804 PolarHBondContact O-N 2.94Å; L800-F825 HydrophobicContact CD2-CE1 4.05Å; L800-F825 HydrophobicContact CG-CE1 3.93Å; L800-F825 HydrophobicContact CG-CZ 4.48Å; L800-F829 HydrophobicContact CB-CD1 4.44Å; L800-F829 HydrophobicContact CB-CE1 4.07Å; L800-F829 HydrophobicContact CB-CE2 4.27Å; L800-F829 HydrophobicContact CB-CZ 3.99Å; L800-F829 HydrophobicContact CD1-CB 4.1Å; L800-F829 HydrophobicContact CD1-CD1 4.11Å; L800-F829 HydrophobicContact CD1-CD2 3.76Å; L800-F829 HydrophobicContact CD1-CE2 4.23Å; L800-F829 HydrophobicContact CD1-CG 3.72Å; L800-F829 HydrophobicContact CG-CD1 4.49Å; L800-F829 HydrophobicContact CG-CD2 3.93Å; L800-F829 HydrophobicContact CG-CE1 4.42Å; L800-F829 HydrophobicContact CG-CE2 3.87Å; L800-F829 HydrophobicContact CG-CG 4.26Å; L800-F829 HydrophobicContact CG-CZ 4.13Å
801	R	96.1	Very high	94.9	Very high	43 Å²	43	49 Å²	49	16%	0.162	22%	0.22	C	C	.	.	H	α-helix	trans	-57.3	-48.3	179.1	-175	-151.2	65	-178.5	0.8	111.5	Q739 D743 L797 R798 K803 R804 H805	Q739-R801 HydrophobicContact CG-CB 4.42Å; Q739-R801 HydrophobicContact CG-CG 4.28Å; D743-R801 WeakPolarHBondContact OD1-CD 3.21Å; D743-R801 IonicContact OD1-CZ 2.69Å; D743-R801 IonicContact OD1-NE 3.85Å; D743-R801 IonicContact OD1-NH1 2.84Å; D743-R801 PolarHBondContact OD1-NH1 2.96Å; L797-R801 WeakPolarHBondContact O-CB 3.14Å; L797-R801 PolarHBondContact O-N 3.15Å; R798-R801 PolarHBondContact O-N 2.84Å; R801-K803 VanDerWaalsContact C-N 3.33Å; R801-K803 PolarHBondContact O-N 3.28Å; R801-R804 PolarHBondContact O-N 3.48Å; R801-H805 PolarHBondContact O-N 3.16Å
802	N	95	Very high	94.9	Very high	25 Å²	25	44.9 Å²	44.9	13%	0.134	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-41.6	-179.9	-71.9	-10.2	0	0	0	111.6	Y788 R798 A799 L800 H805 H806	Y788-N802 PolarHBondContact OH-ND2 2.83Å; R798-N802 WeakPolarHBondContact O-CB 3.42Å; R798-N802 PolarHBondContact O-N 3.22Å; R798-N802 PolarHBondContact O-ND2 3.11Å; R798-N802 PolarHBondContact O-OD1 3.32Å; A799-N802 PolarHBondContact O-N 3.37Å; L800-N802 PolarHBondContact O-N 2.93Å; N802-H805 PolarHBondContact O-N 2.92Å; N802-H806 PolarHBondContact O-CD2 3.49Å; N802-H806 PolarHBondContact O-N 3.42Å
803	K	95.1	Very high	94.9	Very high	12 Å²	12	51 Å²	51	5%	0.052	24%	0.244	C	C	.	.	H	α-helix	trans	-73.3	-28.3	179.6	-62.7	-61.7	168.6	-158	0	113.6	L778 D781 L782 A799 L800 R801 Y807 L810 L818 F825	L778-K803 HydrophobicContact CD1-CD 3.97Å; L778-K803 HydrophobicContact CD1-CG 3.93Å; D781-K803 WeakPolarHBondContact OD2-CE 3.37Å; D781-K803 IonicContact OD2-NZ 3.73Å; D781-K803 PolarHBondContact OD2-NZ 2.99Å; L782-K803 HydrophobicContact CD2-CD 4.45Å; L782-K803 HydrophobicContact CD2-CG 4.36Å; A799-K803 VanDerWaalsContact O-CG 3.32Å; A799-K803 WeakPolarHBondContact O-CG 3.49Å; A799-K803 PolarHBondContact O-N 2.55Å; L800-K803 PolarHBondContact O-N 3.05Å; R801-K803 VanDerWaalsContact C-N 3.33Å; R801-K803 PolarHBondContact O-N 3.28Å; K803-Y807 WeakPolarHBondContact O-CA 3.38Å; K803-Y807 WeakPolarHBondContact O-CB 3.49Å; K803-Y807 PolarHBondContact O-N 3.48Å; K803-L810 HydrophobicContact CD-CD1 4.49Å; K803-L810 HydrophobicContact CD-CD2 3.71Å; K803-L818 HydrophobicContact CB-CD1 4.22Å; K803-F825 HydrophobicContact CB-CE2 4.28Å; K803-F825 HydrophobicContact CB-CZ 4.23Å
804	R	94.7	Very high	94.8	Very high	88 Å²	88	51.1 Å²	51.1	33%	0.332	25%	0.245	S	C	.	.	H	α-helix	trans	-67.1	-48.6	165.9	165.8	156.9	173.3	-67.8	-3.3	111.3	Q739 L800 R801 H806 Y807 I821 F825	Q739-R804 VanDerWaalsContact NE2-CG 3.25Å; L800-R804 PolarHBondContact O-N 2.94Å; R801-R804 PolarHBondContact O-N 3.48Å; R804-H806 VanDerWaalsContact C-N 3.34Å; R804-H806 PolarHBondContact O-N 3.26Å; R804-Y807 VanDerWaalsContact O-CB 3.32Å; R804-Y807 WeakPolarHBondContact O-CB 3.3Å; R804-Y807 PolarHBondContact O-N 3.13Å; R804-I821 HydrophobicContact CG-CD1 4.28Å; R804-F825 HydrophobicContact CB-CE1 4.22Å; R804-F825 HydrophobicContact CB-CZ 3.9Å
805	H	94.4	Very high	94.8	Very high	143 Å²	143	53.8 Å²	53.8	66%	0.662	26%	0.255	S	S	*	.	H	α-helix	trans	-61.8	-42.2	-175	-169.5	72.6	0	0	0	112.2	R801 N802	R801-H805 PolarHBondContact O-N 3.16Å; N802-H805 PolarHBondContact O-N 2.92Å
806	H	94.3	Very high	94.8	Very high	76 Å²	76	59.9 Å²	59.9	35%	0.352	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	21	179.7	-63.8	-75.6	0	0	0	113.6	N802 R804 H808 E809 L810	N802-H806 PolarHBondContact O-CD2 3.49Å; N802-H806 PolarHBondContact O-N 3.42Å; R804-H806 VanDerWaalsContact C-N 3.34Å; R804-H806 PolarHBondContact O-N 3.26Å; H806-H808 VanDerWaalsContact C-N 3.26Å; H806-H808 PolarHBondContact O-N 3.43Å; H806-H808 VanDerWaalsContact O-N 3.13Å; H806-E809 HydrophobicContact CB-CB 4.42Å; H806-E809 IonicContact CE1-OE2 3.96Å; H806-E809 IonicContact CG-OE2 3.57Å; H806-E809 IonicContact ND1-OE1 3.17Å; H806-E809 IonicContact ND1-OE2 3.98Å; H806-E809 PolarHBondContact ND1-OE2 2.98Å; H806-E809 WeakPolarHBondContact O-CB 3.42Å; H806-E809 PolarHBondContact O-N 2.95Å; H806-L810 WeakPolarHBondContact O-CG 3.19Å; H806-L810 PolarHBondContact O-N 3.24Å
807	Y	95.3	Very high	94.8	Very high	27 Å²	27	61.8 Å²	61.8	11%	0.106	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-54.9	-38.5	-170	-178.3	-99.2	0	0	0	114	K803 R804 E809 L810 R815 G819 I821 F825	K803-Y807 WeakPolarHBondContact O-CA 3.38Å; K803-Y807 WeakPolarHBondContact O-CB 3.49Å; K803-Y807 PolarHBondContact O-N 3.48Å; R804-Y807 VanDerWaalsContact O-CB 3.32Å; R804-Y807 WeakPolarHBondContact O-CB 3.3Å; R804-Y807 PolarHBondContact O-N 3.13Å; Y807-E809 VanDerWaalsContact C-N 3.29Å; Y807-E809 PolarHBondContact O-N 3.36Å; Y807-L810 HydrophobicContact CD2-CD1 4.09Å; Y807-L810 PolarHBondContact O-N 2.96Å; Y807-R815 HydrophobicContact CE1-CG 4Å; Y807-R815 HydrophobicContact CE2-CG 3.99Å; Y807-R815 WeakPolarHBondContact OH-CG 3.43Å; Y807-G819 WeakPolarHBondContact CE2-O 3.46Å; Y807-G819 PolarHBondContact OH-O 3.48Å; Y807-I821 HydrophobicContact CD1-CD1 3.82Å; Y807-I821 HydrophobicContact CD1-CG1 4.37Å; Y807-I821 HydrophobicContact CD2-CD1 3.53Å; Y807-I821 HydrophobicContact CD2-CG1 3.94Å; Y807-I821 HydrophobicContact CE1-CD1 4.36Å; Y807-I821 HydrophobicContact CE1-CG1 4.43Å; Y807-I821 HydrophobicContact CE2-CD1 4.11Å; Y807-I821 HydrophobicContact CE2-CG1 4Å; Y807-I821 HydrophobicContact CG-CD1 3.37Å; Y807-I821 HydrophobicContact CG-CG1 4.14Å; Y807-F825 HydrophobicContact CD2-CD2 4.19Å; Y807-F825 HydrophobicContact CD2-CE2 4.31Å; Y807-F825 HydrophobicContact CE2-CD2 4.24Å
808	H	93.9	Very high	94.7	Very high	157 Å²	157	61.8 Å²	61.8	73%	0.727	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-76	-14.5	179.3	-66.1	-70	0	0	0	114.1	H806 R815	H806-H808 VanDerWaalsContact C-N 3.26Å; H806-H808 PolarHBondContact O-N 3.43Å; H806-H808 VanDerWaalsContact O-N 3.13Å; H808-R815 PolarHBondContact O-NH2 3.14Å
809	E	93.2	Very high	94.7	Very high	152 Å²	152	60.9 Å²	60.9	71%	0.71	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-93.3	-11.2	177.8	-61.6	168.7	-167.5	0	0	112.2	H806 Y807	H806-E809 HydrophobicContact CB-CB 4.42Å; H806-E809 IonicContact CE1-OE2 3.96Å; H806-E809 IonicContact CG-OE2 3.57Å; H806-E809 IonicContact ND1-OE1 3.17Å; H806-E809 IonicContact ND1-OE2 3.98Å; H806-E809 PolarHBondContact ND1-OE2 2.98Å; H806-E809 WeakPolarHBondContact O-CB 3.42Å; H806-E809 PolarHBondContact O-N 2.95Å; Y807-E809 VanDerWaalsContact C-N 3.29Å; Y807-E809 PolarHBondContact O-N 3.36Å
810	L	92.2	Very high	94.6	Very high	9 Å²	9	63.5 Å²	63.5	5%	0.047	32%	0.32	C	S	.	.	S	Bend	trans	-66.2	148.4	178.7	-57.9	178.3	0	0	0	111.7	D781 K803 H806 Y807 V814 R815 L818	D781-L810 WeakPolarHBondContact OD2-CD2 3.5Å; K803-L810 HydrophobicContact CD-CD1 4.49Å; K803-L810 HydrophobicContact CD-CD2 3.71Å; H806-L810 WeakPolarHBondContact O-CG 3.19Å; H806-L810 PolarHBondContact O-N 3.24Å; Y807-L810 HydrophobicContact CD2-CD1 4.09Å; Y807-L810 PolarHBondContact O-N 2.96Å; L810-V814 HydrophobicContact CB-CB 4.38Å; L810-V814 HydrophobicContact CB-CG1 4.42Å; L810-V814 HydrophobicContact CD1-CG1 4.07Å; L810-V814 HydrophobicContact CD2-CG1 4.43Å; L810-R815 PolarHBondContact O-NH2 3.33Å; L810-L818 HydrophobicContact CD1-CD1 3.68Å
811	S	93.4	Very high	94.6	Very high	49 Å²	49	66.2 Å²	66.2	34%	0.343	33%	0.334	S	S	.	.			trans	-58.6	152.9	171.3	74	0	0	0	0	111.1	E813 V814 R815	S811-E813 PolarHBondContact O-N 3.32Å; S811-V814 PolarHBondContact O-N 2.92Å; S811-V814 WeakPolarHBondContact OG-CG2 3.26Å; S811-V814 PolarHBondContact OG-N 3.13Å; S811-R815 WeakPolarHBondContact O-CB 3.4Å; S811-R815 PolarHBondContact O-N 3.38Å
812	P	94.1	Very high	94.6	Very high	96 Å²	96	65.2 Å²	65.2	62%	0.623	33%	0.333	S	S	*	.	H	α-helix	trans	-54.8	-36.1	176.9	-26.5	34.9	0	0	0	112.9	R815 N816	P812-R815 PolarHBondContact O-N 3.01Å; P812-N816 VanDerWaalsContact O-CB 3.25Å; P812-N816 WeakPolarHBondContact O-CB 3.38Å; P812-N816 PolarHBondContact O-N 3.31Å; P812-N816 PolarHBondContact O-ND2 2.83Å; P812-N816 PolarHBondContact O-OD1 3.31Å
813	E	94.6	Very high	94.6	Very high	135 Å²	135	68.1 Å²	68.1	63%	0.631	35%	0.348	S	S	*	.	H	α-helix	trans	-62.3	-49.9	177.9	-172	-178.5	-177	0	0	112.4	A777 S811 N816 A817	A777-E813 HydrophobicContact CB-CG 3.78Å; S811-E813 PolarHBondContact O-N 3.32Å; E813-N816 PolarHBondContact O-N 3.24Å; E813-A817 WeakPolarHBondContact O-CB 3.46Å; E813-A817 PolarHBondContact O-N 2.8Å
814	V	94.2	Very high	94.7	Very high	2 Å²	2	72.8 Å²	72.8	1%	0.012	37%	0.37	C	S	.	.	H	α-helix	trans	-67.6	-40.3	178.9	179.5	0	0	0	0	110.8	A777 L778 D781 L810 S811 A817 L818	A777-V814 HydrophobicContact CB-CG2 4.06Å; A777-V814 WeakPolarHBondContact O-CG2 3.31Å; L778-V814 HydrophobicContact CD1-CG1 3.96Å; D781-V814 HydrophobicContact CB-CG2 3.86Å; L810-V814 HydrophobicContact CB-CB 4.38Å; L810-V814 HydrophobicContact CB-CG1 4.42Å; L810-V814 HydrophobicContact CD1-CG1 4.07Å; L810-V814 HydrophobicContact CD2-CG1 4.43Å; S811-V814 PolarHBondContact O-N 2.92Å; S811-V814 WeakPolarHBondContact OG-CG2 3.26Å; S811-V814 PolarHBondContact OG-N 3.13Å; V814-A817 PolarHBondContact O-N 2.77Å; V814-L818 HydrophobicContact CG1-CD1 3.91Å; V814-L818 HydrophobicContact CG1-CG 4.42Å; V814-L818 WeakPolarHBondContact O-CG 3.47Å; V814-L818 PolarHBondContact O-N 3.23Å
815	R	95.6	Very high	94.8	Very high	80 Å²	80	68.6 Å²	68.6	30%	0.302	35%	0.354	S	S	.	.	H	α-helix	trans	-62.9	-42.2	178	-165.5	-178.2	-54.5	175.9	4.3	111.9	Y807 H808 L810 S811 P812 A817 G819	Y807-R815 HydrophobicContact CE1-CG 4Å; Y807-R815 HydrophobicContact CE2-CG 3.99Å; Y807-R815 WeakPolarHBondContact OH-CG 3.43Å; H808-R815 PolarHBondContact O-NH2 3.14Å; L810-R815 PolarHBondContact O-NH2 3.33Å; S811-R815 WeakPolarHBondContact O-CB 3.4Å; S811-R815 PolarHBondContact O-N 3.38Å; P812-R815 PolarHBondContact O-N 3.01Å; R815-A817 VanDerWaalsContact C-N 3.34Å; R815-G819 PolarHBondContact O-N 2.93Å
816	N	95	Very high	94.9	Very high	132 Å²	132	61.9 Å²	61.9	71%	0.706	32%	0.323	S	S	*	.	H	α-helix	trans	-66.1	-37.5	175.2	-71.6	-14.3	0	0	0	111.7	P812 E813	P812-N816 VanDerWaalsContact O-CB 3.25Å; P812-N816 WeakPolarHBondContact O-CB 3.38Å; P812-N816 PolarHBondContact O-N 3.31Å; P812-N816 PolarHBondContact O-ND2 2.83Å; P812-N816 PolarHBondContact O-OD1 3.31Å; E813-N816 PolarHBondContact O-N 3.24Å
817	A	94.4	Very high	94.9	Very high	40 Å²	40	62 Å²	62	33%	0.331	33%	0.327	S	S	.	.	H	α-helix	trans	-68.2	-40.8	177.9	0	0	0	0	0	112.8	E813 V814 R815 Y828	E813-A817 WeakPolarHBondContact O-CB 3.46Å; E813-A817 PolarHBondContact O-N 2.8Å; V814-A817 PolarHBondContact O-N 2.77Å; R815-A817 VanDerWaalsContact C-N 3.34Å; A817-Y828 WeakPolarHBondContact O-CD2 3.26Å; A817-Y828 WeakPolarHBondContact O-CE2 3.44Å
818	L	95.6	Very high	95	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-75.3	-34	177.8	-72.5	171.7	0	0	0	112.6	L778 K803 L810 V814 Q824 F825 Y828 F829	L778-L818 HydrophobicContact CD1-CD1 4.4Å; L778-L818 HydrophobicContact CD2-CD2 3.91Å; K803-L818 HydrophobicContact CB-CD1 4.22Å; L810-L818 HydrophobicContact CD1-CD1 3.68Å; V814-L818 HydrophobicContact CG1-CD1 3.91Å; V814-L818 HydrophobicContact CG1-CG 4.42Å; V814-L818 WeakPolarHBondContact O-CG 3.47Å; V814-L818 PolarHBondContact O-N 3.23Å; L818-Q824 CarbonylContact O-C 3.59Å; L818-Q824 VanDerWaalsContact O-C 3.31Å; L818-F825 HydrophobicContact CB-CD2 4.09Å; L818-F825 HydrophobicContact CD1-CD2 4.36Å; L818-F825 HydrophobicContact CD1-CE2 3.95Å; L818-F825 HydrophobicContact CD2-CD2 4.48Å; L818-F825 HydrophobicContact CD2-CE2 4.34Å; L818-F825 VanDerWaalsContact O-CA 3.29Å; L818-F825 WeakPolarHBondContact O-CA 3.44Å; L818-F825 PolarHBondContact O-N 3.27Å; L818-Y828 HydrophobicContact CD2-CD1 3.65Å; L818-Y828 HydrophobicContact CD2-CD2 4.31Å; L818-Y828 HydrophobicContact CD2-CE1 3.82Å; L818-Y828 HydrophobicContact CD2-CE2 4.42Å; L818-Y828 HydrophobicContact CD2-CG 3.92Å; L818-F829 HydrophobicContact CD2-CE2 3.93Å; L818-F829 HydrophobicContact CD2-CZ 4.14Å
819	G	95.4	Very high	95.1	Very high	6 Å²	6	53.9 Å²	53.9	6%	0.062	29%	0.29	C	S	.	.			trans	76.4	177.3	-177.4	0	0	0	0	0	113.8	Y807 R815	Y807-G819 WeakPolarHBondContact CE2-O 3.46Å; Y807-G819 PolarHBondContact OH-O 3.48Å; R815-G819 PolarHBondContact O-N 2.93Å
820	S	95.4	Very high	95.1	Very high	57 Å²	57	47.3 Å²	47.3	40%	0.399	26%	0.26	S	S	.	.	S	Bend	trans	-61.6	143.5	-176.8	58.6	0	0	0	0	114	Q824 F825	S820-Q824 PolarHBondContact O-N 2.8Å; S820-Q824 VanDerWaalsContact O-N 3.14Å; S820-Q824 PolarHBondContact OG-OE1 2.71Å; S820-F825 PolarHBondContact O-N 2.93Å
821	I	95.3	Very high	95.1	Very high	59 Å²	59	49.9 Å²	49.9	30%	0.303	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	137.8	172.9	-65.2	178.4	0	0	0	109.4	L735 R804 Y807 F825	L735-I821 HydrophobicContact CD2-CG2 3.86Å; R804-I821 HydrophobicContact CG-CD1 4.28Å; Y807-I821 HydrophobicContact CD1-CD1 3.82Å; Y807-I821 HydrophobicContact CD1-CG1 4.37Å; Y807-I821 HydrophobicContact CD2-CD1 3.53Å; Y807-I821 HydrophobicContact CD2-CG1 3.94Å; Y807-I821 HydrophobicContact CE1-CD1 4.36Å; Y807-I821 HydrophobicContact CE1-CG1 4.43Å; Y807-I821 HydrophobicContact CE2-CD1 4.11Å; Y807-I821 HydrophobicContact CE2-CG1 4Å; Y807-I821 HydrophobicContact CG-CD1 3.37Å; Y807-I821 HydrophobicContact CG-CG1 4.14Å; I821-F825 HydrophobicContact CD1-CD2 4.31Å; I821-F825 HydrophobicContact CG1-CB 3.9Å; I821-F825 HydrophobicContact CG1-CD2 3.91Å; I821-F825 HydrophobicContact CG1-CG 3.98Å
822	P	95.6	Very high	95.1	Very high	22 Å²	22	51.4 Å²	51.4	14%	0.143	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	cis	-91.1	-26.3	-0.7	34.9	-34.7	0	0	0	114.5	Q732 L735 V826	Q732-P822 HydrophobicContact CB-CB 4.38Å; Q732-P822 HydrophobicContact CB-CG 3.98Å; L735-P822 HydrophobicContact CD2-CB 3.72Å; P822-V826 WeakPolarHBondContact O-CB 3.36Å; P822-V826 VanDerWaalsContact O-CG2 3.26Å; P822-V826 WeakPolarHBondContact O-CG2 3.38Å; P822-V826 PolarHBondContact O-N 3.06Å
823	D	95.1	Very high	95.2	Very high	86 Å²	86	46.8 Å²	46.8	46%	0.46	26%	0.257	S	S	.	.	H	α-helix	trans	-62.7	-61.7	-163.2	-61.1	-95	0	0	0	113.8	K731 F825 V826 D827	K731-D823 HydrophobicContact CB-CB 4.46Å; K731-D823 HydrophobicContact CG-CB 4.42Å; K731-D823 WeakPolarHBondContact CG-OD1 3.37Å; D823-F825 VanDerWaalsContact C-N 3.3Å; D823-F825 PolarHBondContact O-N 3.47Å; D823-V826 PolarHBondContact O-N 3.41Å; D823-D827 WeakPolarHBondContact O-CB 3.3Å; D823-D827 VanDerWaalsContact O-CG 3.25Å; D823-D827 PolarHBondContact O-N 3.24Å
824	Q	96.6	Very high	95	Very high	110 Å²	110	43.7 Å²	43.7	51%	0.514	25%	0.248	S	C	.	.	H	α-helix	trans	-65.4	-36.6	-177.6	-62.8	178.6	-3.9	0	0	111.6	L818 S820 V826 D827 Y828	L818-Q824 CarbonylContact O-C 3.59Å; L818-Q824 VanDerWaalsContact O-C 3.31Å; S820-Q824 PolarHBondContact O-N 2.8Å; S820-Q824 VanDerWaalsContact O-N 3.14Å; S820-Q824 PolarHBondContact OG-OE1 2.71Å; Q824-V826 PolarHBondContact O-N 3.36Å; Q824-D827 PolarHBondContact O-N 3.37Å; Q824-Y828 WeakPolarHBondContact O-CB 3.4Å; Q824-Y828 PolarHBondContact O-N 2.98Å
825	F	97.4	Very high	95	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.5	-46.7	175.8	-174	-81.1	0	0	0	111.6	L735 L800 K803 R804 Y807 L818 S820 I821 D823 Y828 F829	L735-F825 HydrophobicContact CD1-CD1 3.93Å; L735-F825 HydrophobicContact CD1-CE1 3.87Å; L735-F825 HydrophobicContact CD2-CD1 4.37Å; L800-F825 HydrophobicContact CD2-CE1 4.05Å; L800-F825 HydrophobicContact CG-CE1 3.93Å; L800-F825 HydrophobicContact CG-CZ 4.48Å; K803-F825 HydrophobicContact CB-CE2 4.28Å; K803-F825 HydrophobicContact CB-CZ 4.23Å; R804-F825 HydrophobicContact CB-CE1 4.22Å; R804-F825 HydrophobicContact CB-CZ 3.9Å; Y807-F825 HydrophobicContact CD2-CD2 4.19Å; Y807-F825 HydrophobicContact CD2-CE2 4.31Å; Y807-F825 HydrophobicContact CE2-CD2 4.24Å; L818-F825 HydrophobicContact CB-CD2 4.09Å; L818-F825 HydrophobicContact CD1-CD2 4.36Å; L818-F825 HydrophobicContact CD1-CE2 3.95Å; L818-F825 HydrophobicContact CD2-CD2 4.48Å; L818-F825 HydrophobicContact CD2-CE2 4.34Å; L818-F825 VanDerWaalsContact O-CA 3.29Å; L818-F825 WeakPolarHBondContact O-CA 3.44Å; L818-F825 PolarHBondContact O-N 3.27Å; S820-F825 PolarHBondContact O-N 2.93Å; I821-F825 HydrophobicContact CD1-CD2 4.31Å; I821-F825 HydrophobicContact CG1-CB 3.9Å; I821-F825 HydrophobicContact CG1-CD2 3.91Å; I821-F825 HydrophobicContact CG1-CG 3.98Å; D823-F825 VanDerWaalsContact C-N 3.3Å; D823-F825 PolarHBondContact O-N 3.47Å; F825-Y828 WeakPolarHBondContact O-CB 3.35Å; F825-Y828 PolarHBondContact O-N 2.86Å; F825-F829 HydrophobicContact CD1-CD2 4.2Å; F825-F829 HydrophobicContact CD1-CE2 4.12Å; F825-F829 AromaticContact CE1-CD2 3.95Å; F825-F829 HydrophobicContact CE1-CD2 3.95Å; F825-F829 AromaticContact CE1-CE2 3.56Å; F825-F829 HydrophobicContact CE1-CE2 3.56Å; F825-F829 HydrophobicContact CE2-CE2 4.23Å; F825-F829 HydrophobicContact CZ-CD2 4.45Å; F825-F829 AromaticContact CZ-CE2 3.62Å; F825-F829 HydrophobicContact CZ-CE2 3.62Å; F825-F829 HydrophobicContact CZ-CZ 4.42Å; F825-F829 VanDerWaalsContact O-CD2 3.3Å; F825-F829 WeakPolarHBondContact O-CD2 3.34Å
826	V	96	Very high	95	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-69.1	-40.5	177.1	172.1	0	0	0	0	111.1	K731 Q734 L735 P822 D823 Q824 Y828 F829 T830	K731-V826 HydrophobicContact CB-CB 4.47Å; K731-V826 HydrophobicContact CD-CB 3.93Å; K731-V826 HydrophobicContact CD-CG1 3.6Å; Q734-V826 HydrophobicContact CB-CG1 4.33Å; L735-V826 HydrophobicContact CB-CG2 3.61Å; L735-V826 HydrophobicContact CD1-CG2 4.03Å; L735-V826 HydrophobicContact CD2-CG2 4.14Å; L735-V826 HydrophobicContact CG-CG2 4.14Å; P822-V826 WeakPolarHBondContact O-CB 3.36Å; P822-V826 VanDerWaalsContact O-CG2 3.26Å; P822-V826 WeakPolarHBondContact O-CG2 3.38Å; P822-V826 PolarHBondContact O-N 3.06Å; D823-V826 PolarHBondContact O-N 3.41Å; Q824-V826 PolarHBondContact O-N 3.36Å; V826-Y828 PolarHBondContact O-N 2.93Å; V826-F829 PolarHBondContact O-N 3.45Å; V826-T830 HydrophobicContact CG1-CG2 3.88Å; V826-T830 WeakPolarHBondContact O-CB 3.47Å; V826-T830 PolarHBondContact O-N 3.15Å; V826-T830 PolarHBondContact O-OG1 3.45Å
827	D	95.1	Very high	95.1	Very high	78 Å²	78	36.4 Å²	36.4	42%	0.417	22%	0.215	S	C	.	.	H	α-helix	trans	-61.8	-33.9	176.9	-71.2	-19.7	0	0	0	111.9	K731 D823 Q824 F829 G831	K731-D827 WeakPolarHBondContact CE-OD1 3.36Å; K731-D827 IonicContact NZ-OD1 3.96Å; K731-D827 PolarHBondContact NZ-OD1 3.4Å; D823-D827 WeakPolarHBondContact O-CB 3.3Å; D823-D827 VanDerWaalsContact O-CG 3.25Å; D823-D827 PolarHBondContact O-N 3.24Å; Q824-D827 PolarHBondContact O-N 3.37Å; D827-F829 PolarHBondContact O-N 3.38Å; D827-G831 WeakPolarHBondContact O-CA 3.46Å; D827-G831 PolarHBondContact O-N 3.14Å
828	Y	96.6	Very high	95.2	Very high	10 Å²	10	34.8 Å²	34.8	4%	0.039	20%	0.2	C	C	.	.	H	α-helix	trans	-56.8	-49.3	174.1	179.4	-84.5	0	0	0	111.7	I774 C775 L778 A817 L818 Q824 F825 V826 R832	I774-Y828 HydrophobicContact CG2-CE1 4.21Å; C775-Y828 PolarHBondContact N-OH 3.16Å; C775-Y828 PolarHBondContact SG-OH 3.01Å; L778-Y828 HydrophobicContact CD2-CE1 3.64Å; L778-Y828 WeakPolarHBondContact CD2-OH 3.5Å; A817-Y828 WeakPolarHBondContact O-CD2 3.26Å; A817-Y828 WeakPolarHBondContact O-CE2 3.44Å; L818-Y828 HydrophobicContact CD2-CD1 3.65Å; L818-Y828 HydrophobicContact CD2-CD2 4.31Å; L818-Y828 HydrophobicContact CD2-CE1 3.82Å; L818-Y828 HydrophobicContact CD2-CE2 4.42Å; L818-Y828 HydrophobicContact CD2-CG 3.92Å; Q824-Y828 WeakPolarHBondContact O-CB 3.4Å; Q824-Y828 PolarHBondContact O-N 2.98Å; F825-Y828 WeakPolarHBondContact O-CB 3.35Å; F825-Y828 PolarHBondContact O-N 2.86Å; V826-Y828 PolarHBondContact O-N 2.93Å; Y828-R832 VanDerWaalsContact O-CD 3.3Å; Y828-R832 WeakPolarHBondContact O-CD 3.48Å; Y828-R832 WeakPolarHBondContact O-CG 3.08Å; Y828-R832 PolarHBondContact O-NH1 3.43Å
829	F	95.9	Very high	95.2	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.018	21%	0.208	C	C	.	.	H	α-helix	trans	-77.3	-48.7	-178.6	-72.3	-80.9	0	0	0	111.9	L796 L800 L818 F825 V826 D827 G831 R832 F833	L796-F829 HydrophobicContact CD1-CD1 4.42Å; L796-F829 HydrophobicContact CD1-CE1 4.45Å; L800-F829 HydrophobicContact CB-CD1 4.44Å; L800-F829 HydrophobicContact CB-CE1 4.07Å; L800-F829 HydrophobicContact CB-CE2 4.27Å; L800-F829 HydrophobicContact CB-CZ 3.99Å; L800-F829 HydrophobicContact CD1-CB 4.1Å; L800-F829 HydrophobicContact CD1-CD1 4.11Å; L800-F829 HydrophobicContact CD1-CD2 3.76Å; L800-F829 HydrophobicContact CD1-CE2 4.23Å; L800-F829 HydrophobicContact CD1-CG 3.72Å; L800-F829 HydrophobicContact CG-CD1 4.49Å; L800-F829 HydrophobicContact CG-CD2 3.93Å; L800-F829 HydrophobicContact CG-CE1 4.42Å; L800-F829 HydrophobicContact CG-CE2 3.87Å; L800-F829 HydrophobicContact CG-CG 4.26Å; L800-F829 HydrophobicContact CG-CZ 4.13Å; L818-F829 HydrophobicContact CD2-CE2 3.93Å; L818-F829 HydrophobicContact CD2-CZ 4.14Å; F825-F829 HydrophobicContact CD1-CD2 4.2Å; F825-F829 HydrophobicContact CD1-CE2 4.12Å; F825-F829 AromaticContact CE1-CD2 3.95Å; F825-F829 HydrophobicContact CE1-CD2 3.95Å; F825-F829 AromaticContact CE1-CE2 3.56Å; F825-F829 HydrophobicContact CE1-CE2 3.56Å; F825-F829 HydrophobicContact CE2-CE2 4.23Å; F825-F829 HydrophobicContact CZ-CD2 4.45Å; F825-F829 AromaticContact CZ-CE2 3.62Å; F825-F829 HydrophobicContact CZ-CE2 3.62Å; F825-F829 HydrophobicContact CZ-CZ 4.42Å; F825-F829 VanDerWaalsContact O-CD2 3.3Å; F825-F829 WeakPolarHBondContact O-CD2 3.34Å; V826-F829 PolarHBondContact O-N 3.45Å; D827-F829 PolarHBondContact O-N 3.38Å; F829-G831 PolarHBondContact O-N 2.98Å; F829-R832 PolarHBondContact O-N 3.39Å; F829-F833 HydrophobicContact CD1-CE2 4.46Å; F829-F833 VanDerWaalsContact O-CD2 3.28Å; F829-F833 WeakPolarHBondContact O-CD2 3.29Å; F829-F833 PolarHBondContact O-N 3.37Å
830	T	93	Very high	95.3	Very high	15 Å²	15	36.1 Å²	36.1	9%	0.092	21%	0.205	C	C	.	.	H	α-helix	trans	-69.4	-32.3	-177.1	54.1	0	0	0	0	112.7	V826 R832 F833 P834	V826-T830 HydrophobicContact CG1-CG2 3.88Å; V826-T830 WeakPolarHBondContact O-CB 3.47Å; V826-T830 PolarHBondContact O-N 3.15Å; V826-T830 PolarHBondContact O-OG1 3.45Å; T830-R832 VanDerWaalsContact C-N 3.3Å; T830-R832 PolarHBondContact O-N 3.27Å; T830-F833 CarbonylContact O-C 3.31Å; T830-F833 VanDerWaalsContact O-C 3.32Å; T830-P834 VanDerWaalsContact O-CA 3.23Å; T830-P834 WeakPolarHBondContact O-CA 2.9Å
831	G	92.5	Very high	95.3	Very high	62 Å²	62	34.4 Å²	34.4	64%	0.639	19%	0.19	S	C	*	.	H	α-helix	trans	-66.7	-31.1	172.2	0	0	0	0	0	113.2	D827 F829	D827-G831 WeakPolarHBondContact O-CA 3.46Å; D827-G831 PolarHBondContact O-N 3.14Å; F829-G831 PolarHBondContact O-N 2.98Å
832	R	94.3	Very high	95.2	Very high	81 Å²	81	36 Å²	36	31%	0.306	20%	0.195	S	C	.	.	H	α-helix	trans	-83.7	-40	175.1	-74	167.5	174.5	75.9	2.2	111.9	R773 Y828 F829 T830 P834	R773-R832 PolarHBondContact NH1-O 3.41Å; R773-R832 PolarHBondContact NH2-O 3.28Å; R773-R832 WeakPolarHBondContact O-CD 3.45Å; R773-R832 PolarHBondContact O-NE 2.97Å; Y828-R832 VanDerWaalsContact O-CD 3.3Å; Y828-R832 WeakPolarHBondContact O-CD 3.48Å; Y828-R832 WeakPolarHBondContact O-CG 3.08Å; Y828-R832 PolarHBondContact O-NH1 3.43Å; F829-R832 PolarHBondContact O-N 3.39Å; T830-R832 VanDerWaalsContact C-N 3.3Å; T830-R832 PolarHBondContact O-N 3.27Å; R832-P834 VanDerWaalsContact C-CD 3.45Å; R832-P834 VanDerWaalsContact O-CD 3.24Å; R832-P834 WeakPolarHBondContact O-CD 3.38Å
833	F	94.9	Very high	95.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.191	C	C	.	.			trans	-120.2	73	-175.9	-49.6	-73.1	0	0	0	109.6	V766 W770 R773 I774 L796 F829 T830 L835 L836	V766-F833 WeakPolarHBondContact O-CE1 3.36Å; W770-F833 HydrophobicContact CB-CE1 3.52Å; W770-F833 HydrophobicContact CB-CZ 3.57Å; R773-F833 HydrophobicContact CB-CE1 3.89Å; R773-F833 HydrophobicContact CB-CZ 3.92Å; R773-F833 HydrophobicContact CG-CE1 4.42Å; I774-F833 HydrophobicContact CG2-CE2 4.23Å; I774-F833 HydrophobicContact CG2-CZ 4.24Å; L796-F833 HydrophobicContact CD1-CD2 4.47Å; L796-F833 HydrophobicContact CD1-CE2 4.02Å; L796-F833 HydrophobicContact CD1-CZ 4.42Å; L796-F833 HydrophobicContact CD2-CD1 4.36Å; L796-F833 HydrophobicContact CD2-CD2 4.06Å; L796-F833 HydrophobicContact CD2-CE2 4.24Å; L796-F833 HydrophobicContact CD2-CG 4.13Å; L796-F833 HydrophobicContact CD2-CZ 4.48Å; F829-F833 HydrophobicContact CD1-CE2 4.46Å; F829-F833 VanDerWaalsContact O-CD2 3.28Å; F829-F833 WeakPolarHBondContact O-CD2 3.29Å; F829-F833 PolarHBondContact O-N 3.37Å; T830-F833 CarbonylContact O-C 3.31Å; T830-F833 VanDerWaalsContact O-C 3.32Å; F833-L835 PolarHBondContact O-N 2.96Å; F833-L835 VanDerWaalsContact O-N 3.13Å; F833-L836 HydrophobicContact CB-CB 3.82Å; F833-L836 HydrophobicContact CB-CD2 4.33Å; F833-L836 WeakPolarHBondContact O-CB 3.43Å; F833-L836 PolarHBondContact O-N 3.5Å
834	P	92.2	Very high	95.1	Very high	69 Å²	69	31.2 Å²	31.2	45%	0.448	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.5	-171.7	24.6	-35	0	0	0	113.9	T830 R832	T830-P834 VanDerWaalsContact O-CA 3.23Å; T830-P834 WeakPolarHBondContact O-CA 2.9Å; R832-P834 VanDerWaalsContact C-CD 3.45Å; R832-P834 VanDerWaalsContact O-CD 3.24Å; R832-P834 WeakPolarHBondContact O-CD 3.38Å
835	L	93.9	Very high	94.9	Very high	61 Å²	61	29.8 Å²	29.8	32%	0.319	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-10.9	177.3	-57.4	-178.3	0	0	0	113.3	Q699 V765 F833 L837 H839	Q699-L835 HydrophobicContact CG-CD2 3.83Å; V765-L835 HydrophobicContact CG1-CB 4.2Å; F833-L835 PolarHBondContact O-N 2.96Å; F833-L835 VanDerWaalsContact O-N 3.13Å; L835-L837 PolarHBondContact O-N 2.91Å; L835-H839 WeakPolarHBondContact O-CB 3.22Å; L835-H839 PolarHBondContact O-N 3Å
836	L	95.7	Very high	94.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-51	-168.6	-179.9	64.5	0	0	0	112.4	V765 I793 L796 L797 F833 M838 H839 V840	V765-L836 HydrophobicContact CG1-CB 4.46Å; V765-L836 HydrophobicContact CG1-CD1 4.34Å; I793-L836 HydrophobicContact CG2-CD1 4.14Å; L796-L836 HydrophobicContact CD2-CD1 4.08Å; L796-L836 HydrophobicContact CD2-CD2 4.1Å; L797-L836 HydrophobicContact CD2-CD1 4.39Å; F833-L836 HydrophobicContact CB-CB 3.82Å; F833-L836 HydrophobicContact CB-CD2 4.33Å; F833-L836 WeakPolarHBondContact O-CB 3.43Å; F833-L836 PolarHBondContact O-N 3.5Å; L836-M838 PolarHBondContact O-N 3.15Å; L836-H839 PolarHBondContact O-N 3.26Å; L836-V840 HydrophobicContact CD1-CG2 3.91Å; L836-V840 HydrophobicContact CG-CG2 4.43Å; L836-V840 WeakPolarHBondContact O-CB 3.35Å; L836-V840 WeakPolarHBondContact O-CG2 3.32Å; L836-V840 PolarHBondContact O-N 2.94Å
837	L	96.4	Very high	94.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-49.9	-174.7	179.4	62.8	0	0	0	111.5	E700 P726 W729 Q734 F737 L738 L835 V840 Y841	E700-L837 HydrophobicContact CG-CD2 4.05Å; E700-L837 WeakPolarHBondContact OE1-CD2 3.34Å; P726-L837 HydrophobicContact CB-CD2 4.26Å; W729-L837 HydrophobicContact CZ3-CD1 4.32Å; Q734-L837 HydrophobicContact CB-CD1 4.43Å; Q734-L837 HydrophobicContact CB-CD2 4.41Å; Q734-L837 HydrophobicContact CG-CD1 4.45Å; Q734-L837 HydrophobicContact CG-CD2 3.73Å; F737-L837 HydrophobicContact CD1-CD1 3.97Å; F737-L837 HydrophobicContact CE1-CD1 4.43Å; L738-L837 HydrophobicContact CD2-CD1 4.17Å; L738-L837 HydrophobicContact CG-CD1 4.34Å; L835-L837 PolarHBondContact O-N 2.91Å; L837-V840 PolarHBondContact O-N 3.24Å; L837-Y841 VanDerWaalsContact O-CB 3.29Å; L837-Y841 WeakPolarHBondContact O-CB 3.33Å; L837-Y841 PolarHBondContact O-N 3.02Å
838	M	95.7	Very high	94.1	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-68.6	-36.9	-178.9	-68.9	-46	-63.4	0	0	112.7	Q699 E700 D703 H725 P726 L836 Y841 K842	Q699-M838 HydrophobicContact CG-CB 4.36Å; Q699-M838 HydrophobicContact CG-CG 4.08Å; E700-M838 HydrophobicContact CB-CG 4.39Å; E700-M838 HydrophobicContact CB-SD 4.01Å; E700-M838 HydrophobicContact CG-CG 3.95Å; E700-M838 HydrophobicContact CG-SD 3.71Å; D703-M838 HydrophobicContact CB-CE 3.84Å; D703-M838 WeakPolarHBondContact OD2-CE 3.5Å; H725-M838 VanDerWaalsContact CE1-CE 3.49Å; H725-M838 WeakPolarHBondContact CE1-CE 3.42Å; H725-M838 VanDerWaalsContact NE2-CE 3.33Å; H725-M838 WeakPolarHBondContact NE2-CE 3.28Å; P726-M838 HydrophobicContact CB-SD 3.8Å; P726-M838 HydrophobicContact CG-CE 4.3Å; P726-M838 HydrophobicContact CG-SD 3.92Å; L836-M838 PolarHBondContact O-N 3.15Å; M838-Y841 HydrophobicContact CE-CD1 3.79Å; M838-Y841 HydrophobicContact CE-CE1 4.41Å; M838-Y841 PolarHBondContact O-N 3.44Å; M838-K842 WeakPolarHBondContact O-CG 3.35Å; M838-K842 PolarHBondContact O-N 2.77Å
839	H	95.9	Very high	93.7	Very high	36 Å²	36	40 Å²	40	17%	0.167	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-47.5	174.5	-174.9	80.6	0	0	0	111.5	L758 M760 V765 L835 L836 K842 A843	L758-H839 PolarHBondContact O-NE2 2.86Å; M760-H839 PolarHBondContact O-CE1 3.13Å; V765-H839 HydrophobicContact CG1-CB 4.01Å; V765-H839 HydrophobicContact CG2-CB 3.95Å; L835-H839 WeakPolarHBondContact O-CB 3.22Å; L835-H839 PolarHBondContact O-N 3Å; L836-H839 PolarHBondContact O-N 3.26Å; H839-K842 PolarHBondContact O-N 3.43Å; H839-A843 WeakPolarHBondContact O-CB 3.45Å; H839-A843 PolarHBondContact O-N 2.92Å
840	V	96.9	Very high	93.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.2	-37.3	178.9	176.8	0	0	0	0	111.4	F737 L738 I741 L758 I793 L797 L836 L837 G844	F737-V840 HydrophobicContact CE1-CB 4.28Å; F737-V840 HydrophobicContact CE1-CG1 3.72Å; F737-V840 HydrophobicContact CZ-CG1 4.12Å; L738-V840 HydrophobicContact CD2-CB 4.12Å; L738-V840 HydrophobicContact CD2-CG1 4.01Å; L738-V840 HydrophobicContact CD2-CG2 4.3Å; I741-V840 HydrophobicContact CB-CG1 4.04Å; I741-V840 HydrophobicContact CG1-CG1 3.81Å; I741-V840 HydrophobicContact CG2-CG1 3.81Å; L758-V840 HydrophobicContact CD2-CB 4.38Å; L758-V840 HydrophobicContact CD2-CG1 4.2Å; L758-V840 HydrophobicContact CD2-CG2 4.08Å; I793-V840 HydrophobicContact CG2-CG2 4.19Å; L797-V840 HydrophobicContact CD1-CG1 4.26Å; L797-V840 HydrophobicContact CD1-CG2 4.02Å; L797-V840 HydrophobicContact CD2-CG2 4.21Å; L836-V840 HydrophobicContact CD1-CG2 3.91Å; L836-V840 HydrophobicContact CG-CG2 4.43Å; L836-V840 WeakPolarHBondContact O-CB 3.35Å; L836-V840 WeakPolarHBondContact O-CG2 3.32Å; L836-V840 PolarHBondContact O-N 2.94Å; L837-V840 PolarHBondContact O-N 3.24Å; V840-G844 PolarHBondContact O-N 3.43Å
841	Y	95.9	Very high	93.4	Very high	22 Å²	22	49.3 Å²	49.3	9%	0.086	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-48.9	173.6	178.1	-107.2	0	0	0	112.4	P726 W729 F737 L837 M838 G844 Q845 Y857	P726-Y841 HydrophobicContact CG-CD1 3.7Å; P726-Y841 HydrophobicContact CG-CD2 3.44Å; P726-Y841 VanDerWaalsContact CG-CD2 3.44Å; P726-Y841 HydrophobicContact CG-CE1 3.91Å; P726-Y841 HydrophobicContact CG-CE2 3.65Å; P726-Y841 HydrophobicContact CG-CG 3.45Å; P726-Y841 VanDerWaalsContact CG-CG 3.45Å; W729-Y841 AromaticContact CH2-CD2 3.68Å; W729-Y841 HydrophobicContact CH2-CD2 3.68Å; W729-Y841 AromaticContact CH2-CE2 3.94Å; W729-Y841 HydrophobicContact CH2-CE2 3.94Å; W729-Y841 HydrophobicContact CZ2-CD2 4.09Å; W729-Y841 AromaticContact CZ2-CE2 3.87Å; W729-Y841 HydrophobicContact CZ2-CE2 3.87Å; F737-Y841 HydrophobicContact CZ-CD2 4.35Å; L837-Y841 VanDerWaalsContact O-CB 3.29Å; L837-Y841 WeakPolarHBondContact O-CB 3.33Å; L837-Y841 PolarHBondContact O-N 3.02Å; M838-Y841 HydrophobicContact CE-CD1 3.79Å; M838-Y841 HydrophobicContact CE-CE1 4.41Å; M838-Y841 PolarHBondContact O-N 3.44Å; Y841-G844 PolarHBondContact O-N 2.88Å; Y841-Q845 PolarHBondContact O-N 2.9Å; Y841-Y857 HydrophobicContact CD2-CD1 4.38Å; Y841-Y857 AromaticContact CD2-CE1 3.53Å; Y841-Y857 HydrophobicContact CD2-CE1 3.53Å; Y841-Y857 AromaticContact CD2-CZ 3.97Å; Y841-Y857 AromaticContact CE2-CD1 3.63Å; Y841-Y857 HydrophobicContact CE2-CD1 3.63Å; Y841-Y857 AromaticContact CE2-CE1 3.21Å; Y841-Y857 HydrophobicContact CE2-CE1 3.21Å; Y841-Y857 HydrophobicContact CG-CE1 4.34Å; Y841-Y857 AromaticContact CZ-CD1 3.98Å; Y841-Y857 AromaticContact CZ-CE1 3.79Å; Y841-Y857 PolarHBondContact O-OH 3.5Å
842	K	94.3	Very high	93.3	Very high	93 Å²	93	51.4 Å²	51.4	40%	0.404	25%	0.251	S	S	.	.	H	α-helix	trans	-65.5	-42.1	178.1	-70.5	-174.4	-177.8	-167.3	0	112	D703 M838 H839 G844 Q845	D703-K842 WeakPolarHBondContact OD1-CE 3.18Å; D703-K842 IonicContact OD1-NZ 3.83Å; D703-K842 PolarHBondContact OD1-NZ 3Å; D703-K842 WeakPolarHBondContact OD2-CE 3.26Å; D703-K842 IonicContact OD2-NZ 2.82Å; D703-K842 PolarHBondContact OD2-NZ 3.3Å; M838-K842 WeakPolarHBondContact O-CG 3.35Å; M838-K842 PolarHBondContact O-N 2.77Å; H839-K842 PolarHBondContact O-N 3.43Å; K842-G844 VanDerWaalsContact C-N 3.34Å; K842-Q845 PolarHBondContact O-N 3.37Å
843	A	95	Very high	93.3	Very high	6 Å²	6	47.6 Å²	47.6	5%	0.05	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-44.3	174.6	0	0	0	0	0	111.2	I754 R757 L758 H839 Q845 L846	I754-A843 HydrophobicContact CD1-CB 4.49Å; R757-A843 HydrophobicContact CB-CB 4.07Å; L758-A843 HydrophobicContact CD2-CB 3.66Å; L758-A843 HydrophobicContact CG-CB 3.96Å; H839-A843 WeakPolarHBondContact O-CB 3.45Å; H839-A843 PolarHBondContact O-N 2.92Å; A843-Q845 PolarHBondContact O-N 3.29Å; A843-L846 WeakPolarHBondContact O-CD2 3.32Å
844	G	94	Very high	92.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-70.8	-7.8	-177.7	0	0	0	0	0	115.7	V840 Y841 K842 L846 L847 Y857	V840-G844 PolarHBondContact O-N 3.43Å; Y841-G844 PolarHBondContact O-N 2.88Å; K842-G844 VanDerWaalsContact C-N 3.34Å; G844-L846 PolarHBondContact O-N 3.35Å; G844-L846 VanDerWaalsContact O-N 3.14Å; G844-L847 WeakPolarHBondContact O-CB 3.49Å; G844-L847 PolarHBondContact O-N 2.57Å; G844-Y857 WeakPolarHBondContact CA-OH 3.49Å; G844-Y857 PolarHBondContact O-OH 3.5Å
845	Q	91.4	Very high	92.7	Very high	80 Å²	80	50 Å²	50	37%	0.374	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-58.2	-26.4	178.6	-76.1	-172.6	-8.8	0	0	113.6	Y841 K842 A843 L847 R848 Y857	Y841-Q845 PolarHBondContact O-N 2.9Å; K842-Q845 PolarHBondContact O-N 3.37Å; A843-Q845 PolarHBondContact O-N 3.29Å; Q845-L847 PolarHBondContact O-N 3.42Å; Q845-R848 VanDerWaalsContact O-CB 3.31Å; Q845-R848 WeakPolarHBondContact O-CB 3.41Å; Q845-R848 WeakPolarHBondContact O-CD 3.48Å; Q845-R848 VanDerWaalsContact O-CG 3.24Å; Q845-R848 WeakPolarHBondContact O-CG 3.37Å; Q845-R848 PolarHBondContact O-N 3.27Å; Q845-Y857 HydrophobicContact CB-CE1 4.37Å; Q845-Y857 HydrophobicContact CG-CD1 4.14Å; Q845-Y857 HydrophobicContact CG-CE1 3.68Å; Q845-Y857 PolarHBondContact N-OH 2.91Å
846	L	91	Very high	92.6	Very high	58 Å²	58	47.6 Å²	47.6	30%	0.304	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-65.2	-22.9	174.9	82.1	158	0	0	0	112.9	E753 I754 A843 G844 R848	E753-L846 HydrophobicContact CB-CD1 4.23Å; E753-L846 HydrophobicContact CG-CD1 4.3Å; I754-L846 HydrophobicContact CB-CD1 4.16Å; I754-L846 HydrophobicContact CB-CD2 3.9Å; I754-L846 HydrophobicContact CD1-CD2 3.35Å; I754-L846 HydrophobicContact CG1-CD2 4.09Å; A843-L846 WeakPolarHBondContact O-CD2 3.32Å; G844-L846 PolarHBondContact O-N 3.35Å; G844-L846 VanDerWaalsContact O-N 3.14Å; L846-R848 VanDerWaalsContact C-N 3.3Å
847	L	92.3	Very high	92.3	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.016	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-88.7	1.7	-178	-51.1	172.6	0	0	0	112	I741 R744 I754 G844 Q845 N849 E850 F853	I741-L847 HydrophobicContact CD1-CD1 3.8Å; R744-L847 HydrophobicContact CG-CD1 3.92Å; R744-L847 HydrophobicContact CG-CD2 4.44Å; I754-L847 HydrophobicContact CD1-CD1 3.98Å; I754-L847 HydrophobicContact CD1-CG 4.35Å; I754-L847 HydrophobicContact CG1-CD1 4.15Å; G844-L847 WeakPolarHBondContact O-CB 3.49Å; G844-L847 PolarHBondContact O-N 2.57Å; Q845-L847 PolarHBondContact O-N 3.42Å; L847-N849 PolarHBondContact O-N 3.46Å; L847-E850 VanDerWaalsContact CD2-OE1 3.32Å; L847-E850 WeakPolarHBondContact CD2-OE1 3.38Å; L847-E850 WeakPolarHBondContact O-CB 3.22Å; L847-E850 PolarHBondContact O-N 3.26Å; L847-F853 HydrophobicContact CB-CB 4.43Å; L847-F853 HydrophobicContact CB-CD2 3.69Å; L847-F853 HydrophobicContact CB-CE2 4.05Å; L847-F853 HydrophobicContact CB-CG 3.97Å; L847-F853 HydrophobicContact CD1-CD2 4.29Å; L847-F853 HydrophobicContact CD1-CE1 4.29Å; L847-F853 HydrophobicContact CD1-CE2 3.8Å; L847-F853 HydrophobicContact CD1-CZ 3.81Å; L847-F853 HydrophobicContact CG-CE2 4.5Å; L847-F853 WeakPolarHBondContact O-CB 3.48Å
848	R	89.1	Confident	91.4	Very high	116 Å²	116	52.1 Å²	52.1	44%	0.438	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-24.6	-172.7	69.4	-175.7	-177.3	-136.5	1.8	115.2	Q845 L846 Y857	Q845-R848 VanDerWaalsContact O-CB 3.31Å; Q845-R848 WeakPolarHBondContact O-CB 3.41Å; Q845-R848 WeakPolarHBondContact O-CD 3.48Å; Q845-R848 VanDerWaalsContact O-CG 3.24Å; Q845-R848 WeakPolarHBondContact O-CG 3.37Å; Q845-R848 PolarHBondContact O-N 3.27Å; L846-R848 VanDerWaalsContact C-N 3.3Å; R848-Y857 HydrophobicContact CB-CD2 3.89Å; R848-Y857 HydrophobicContact CB-CG 3.8Å
849	N	87.9	Confident	89.9	Confident	128 Å²	128	54.2 Å²	54.2	68%	0.684	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-6.7	-179.7	-64.7	-16.4	0	0	0	112.9	L847	L847-N849 PolarHBondContact O-N 3.46Å
850	E	92.1	Very high	87.8	Confident	60 Å²	60	55.2 Å²	55.2	28%	0.28	29%	0.288	S	S	.	.	S	Bend	trans	-79.8	137.8	173.4	-63.6	-175.7	-168.1	0	0	109.8	R744 L847 I852 F853 A854	R744-E850 WeakPolarHBondContact CD-OE2 3.32Å; R744-E850 IonicContact CZ-OE1 3.42Å; R744-E850 IonicContact CZ-OE2 3.55Å; R744-E850 IonicContact NE-OE1 3.67Å; R744-E850 PolarHBondContact NE-OE1 2.92Å; R744-E850 IonicContact NE-OE2 2.74Å; R744-E850 PolarHBondContact NE-OE2 3.38Å; R744-E850 IonicContact NH2-OE1 2.79Å; R744-E850 PolarHBondContact NH2-OE1 3.23Å; L847-E850 VanDerWaalsContact CD2-OE1 3.32Å; L847-E850 WeakPolarHBondContact CD2-OE1 3.38Å; L847-E850 WeakPolarHBondContact O-CB 3.22Å; L847-E850 PolarHBondContact O-N 3.26Å; E850-I852 VanDerWaalsContact C-N 3.26Å; E850-I852 PolarHBondContact O-N 3.45Å; E850-I852 VanDerWaalsContact O-N 3.12Å; E850-F853 HydrophobicContact CB-CD2 3.99Å; E850-F853 WeakPolarHBondContact O-CA 3.48Å; E850-F853 PolarHBondContact O-N 3.33Å; E850-A854 PolarHBondContact O-N 3.21Å; E850-A854 VanDerWaalsContact O-N 3.14Å
851	D	90.4	Very high	84.9	Confident	155 Å²	155	62.1 Å²	62.1	83%	0.829	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-39.1	-172.8	-66.5	-24.7	0	0	0	113.9	F853 A854	D851-F853 PolarHBondContact O-N 3.49Å; D851-A854 PolarHBondContact O-N 3.19Å
852	I	91.3	Very high	84.4	Confident	105 Å²	105	64.1 Å²	64.1	54%	0.538	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-33.9	179.2	-61.2	173.5	0	0	0	110.7	D740 E850	D740-I852 HydrophobicContact CB-CG2 4.02Å; E850-I852 VanDerWaalsContact C-N 3.26Å; E850-I852 PolarHBondContact O-N 3.45Å; E850-I852 VanDerWaalsContact O-N 3.12Å
853	F	92.5	Very high	83.9	Confident	1 Å²	1	62.6 Å²	62.6	0%	0.004	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-9.7	-174.1	-64	-79.2	0	0	0	114.4	F737 D740 I741 R744 L847 E850 D851 S855 Y856 Y857	F737-F853 HydrophobicContact CE2-CD1 4.36Å; F737-F853 HydrophobicContact CE2-CE1 4.5Å; D740-F853 HydrophobicContact CB-CE1 4.01Å; D740-F853 HydrophobicContact CB-CZ 4.22Å; I741-F853 HydrophobicContact CD1-CD1 4.15Å; I741-F853 HydrophobicContact CD1-CE1 3.35Å; I741-F853 HydrophobicContact CD1-CZ 3.84Å; I741-F853 HydrophobicContact CG1-CE1 3.83Å; I741-F853 HydrophobicContact CG1-CZ 4.43Å; R744-F853 HydrophobicContact CB-CE2 4.08Å; R744-F853 HydrophobicContact CB-CZ 3.86Å; R744-F853 HydrophobicContact CG-CE2 3.91Å; R744-F853 HydrophobicContact CG-CZ 4.1Å; L847-F853 HydrophobicContact CB-CB 4.43Å; L847-F853 HydrophobicContact CB-CD2 3.69Å; L847-F853 HydrophobicContact CB-CE2 4.05Å; L847-F853 HydrophobicContact CB-CG 3.97Å; L847-F853 HydrophobicContact CD1-CD2 4.29Å; L847-F853 HydrophobicContact CD1-CE1 4.29Å; L847-F853 HydrophobicContact CD1-CE2 3.8Å; L847-F853 HydrophobicContact CD1-CZ 3.81Å; L847-F853 HydrophobicContact CG-CE2 4.5Å; L847-F853 WeakPolarHBondContact O-CB 3.48Å; E850-F853 HydrophobicContact CB-CD2 3.99Å; E850-F853 WeakPolarHBondContact O-CA 3.48Å; E850-F853 PolarHBondContact O-N 3.33Å; D851-F853 PolarHBondContact O-N 3.49Å; F853-S855 PolarHBondContact O-N 2.96Å; F853-S855 VanDerWaalsContact O-N 3.07Å; F853-Y856 HydrophobicContact CB-CD2 4.48Å; F853-Y856 AromaticContact CD1-CD2 3.9Å; F853-Y856 HydrophobicContact CD1-CD2 3.9Å; F853-Y856 HydrophobicContact CD1-CE2 4.33Å; F853-Y856 PolarHBondContact O-N 3.45Å; F853-Y857 HydrophobicContact CB-CD2 4.1Å; F853-Y857 HydrophobicContact CB-CE2 4.14Å; F853-Y857 HydrophobicContact CD1-CE2 4.33Å; F853-Y857 WeakPolarHBondContact O-CD2 3.39Å; F853-Y857 PolarHBondContact O-N 3.34Å
854	A	86.7	Confident	83.2	Confident	54 Å²	54	65.7 Å²	65.7	45%	0.446	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.5	178	0	0	0	0	0	113.5	E850 D851	E850-A854 PolarHBondContact O-N 3.21Å; E850-A854 VanDerWaalsContact O-N 3.14Å; D851-A854 PolarHBondContact O-N 3.19Å
855	S	87.9	Confident	82.6	Confident	66 Å²	66	69.6 Å²	69.6	46%	0.462	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-15.4	176.9	75.5	0	0	0	0	114.5	K733 F853	K733-S855 WeakPolarHBondContact CE-O 3.32Å; K733-S855 PolarHBondContact NZ-O 3.25Å; F853-S855 PolarHBondContact O-N 2.96Å; F853-S855 VanDerWaalsContact O-N 3.07Å
856	Y	92.4	Very high	82.1	Confident	11 Å²	11	68.9 Å²	68.9	4%	0.043	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-30.1	-178.9	-58.7	-63.8	0	0	0	112.6	W729 K733 S736 F737 D740 F853	W729-Y856 AromaticContact CH2-CD1 3.83Å; W729-Y856 HydrophobicContact CH2-CD1 3.83Å; W729-Y856 HydrophobicContact CH2-CG 4.21Å; W729-Y856 AromaticContact CZ2-CD1 3.99Å; W729-Y856 HydrophobicContact CZ2-CD1 3.99Å; W729-Y856 HydrophobicContact CZ2-CG 4.41Å; W729-Y856 HydrophobicContact CZ3-CD1 4.27Å; K733-Y856 HydrophobicContact CG-CD1 4.25Å; K733-Y856 HydrophobicContact CG-CE1 3.93Å; S736-Y856 VanDerWaalsContact C-OH 3.31Å; S736-Y856 VanDerWaalsContact CB-OH 3.31Å; S736-Y856 WeakPolarHBondContact CB-OH 3.38Å; F737-Y856 HydrophobicContact CB-CD1 3.9Å; F737-Y856 HydrophobicContact CB-CE1 3.59Å; F737-Y856 HydrophobicContact CB-CE2 4.47Å; F737-Y856 HydrophobicContact CB-CG 4.49Å; F737-Y856 AromaticContact CD2-CD1 3.83Å; F737-Y856 HydrophobicContact CD2-CD1 3.83Å; F737-Y856 AromaticContact CD2-CD2 3.66Å; F737-Y856 HydrophobicContact CD2-CD2 3.66Å; F737-Y856 HydrophobicContact CD2-CE1 4.18Å; F737-Y856 HydrophobicContact CD2-CE2 4.03Å; F737-Y856 AromaticContact CD2-CG 3.59Å; F737-Y856 HydrophobicContact CD2-CG 3.59Å; F737-Y856 HydrophobicContact CE2-CD2 4.35Å; F737-Y856 HydrophobicContact CE2-CG 4.31Å; F737-Y856 HydrophobicContact CG-CD1 4.24Å; F737-Y856 HydrophobicContact CG-CE1 4.36Å; F737-Y856 HydrophobicContact CG-CG 4.43Å; F737-Y856 PolarHBondContact N-OH 3.43Å; D740-Y856 HydrophobicContact CB-CE2 4.39Å; D740-Y856 VanDerWaalsContact OD2-CE2 3.26Å; D740-Y856 WeakPolarHBondContact OD2-CE2 3.42Å; D740-Y856 VanDerWaalsContact OD2-CZ 3.3Å; D740-Y856 PolarHBondContact OD2-OH 2.79Å; F853-Y856 HydrophobicContact CB-CD2 4.48Å; F853-Y856 AromaticContact CD1-CD2 3.9Å; F853-Y856 HydrophobicContact CD1-CD2 3.9Å; F853-Y856 HydrophobicContact CD1-CE2 4.33Å; F853-Y856 PolarHBondContact O-N 3.45Å
857	Y	89.3	Confident	81.5	Confident	10 Å²	10	69.7 Å²	69.7	4%	0.039	39%	0.389	C	S	.	.	S	Bend	trans	-115.2	141.9	-178.4	-56.9	-79.3	0	0	0	110.3	F737 Y841 G844 Q845 R848 F853 A859	F737-Y857 HydrophobicContact CE2-CE2 4.23Å; F737-Y857 WeakPolarHBondContact CE2-OH 3.25Å; F737-Y857 WeakPolarHBondContact CZ-OH 3.45Å; Y841-Y857 HydrophobicContact CD2-CD1 4.38Å; Y841-Y857 AromaticContact CD2-CE1 3.53Å; Y841-Y857 HydrophobicContact CD2-CE1 3.53Å; Y841-Y857 AromaticContact CD2-CZ 3.97Å; Y841-Y857 AromaticContact CE2-CD1 3.63Å; Y841-Y857 HydrophobicContact CE2-CD1 3.63Å; Y841-Y857 AromaticContact CE2-CE1 3.21Å; Y841-Y857 HydrophobicContact CE2-CE1 3.21Å; Y841-Y857 HydrophobicContact CG-CE1 4.34Å; Y841-Y857 AromaticContact CZ-CD1 3.98Å; Y841-Y857 AromaticContact CZ-CE1 3.79Å; Y841-Y857 PolarHBondContact O-OH 3.5Å; G844-Y857 WeakPolarHBondContact CA-OH 3.49Å; G844-Y857 PolarHBondContact O-OH 3.5Å; Q845-Y857 HydrophobicContact CB-CE1 4.37Å; Q845-Y857 HydrophobicContact CG-CD1 4.14Å; Q845-Y857 HydrophobicContact CG-CE1 3.68Å; Q845-Y857 PolarHBondContact N-OH 2.91Å; R848-Y857 HydrophobicContact CB-CD2 3.89Å; R848-Y857 HydrophobicContact CB-CG 3.8Å; F853-Y857 HydrophobicContact CB-CD2 4.1Å; F853-Y857 HydrophobicContact CB-CE2 4.14Å; F853-Y857 HydrophobicContact CD1-CE2 4.33Å; F853-Y857 WeakPolarHBondContact O-CD2 3.39Å; F853-Y857 PolarHBondContact O-N 3.34Å; Y857-A859 PolarHBondContact O-N 3.13Å
858	Y	78.3	Confident	80.7	Confident	85 Å²	85	74.4 Å²	74.4	33%	0.333	42%	0.416	S	S	.	.			trans	-73.8	116.6	171.1	-175.6	-104.5	0	0	0	109.2	V720 Q721 H724 L860	V720-Y858 HydrophobicContact CB-CE2 4.37Å; V720-Y858 HydrophobicContact CG1-CD2 3.75Å; V720-Y858 HydrophobicContact CG1-CE2 3.32Å; Q721-Y858 HydrophobicContact CG-CD1 3.54Å; Q721-Y858 HydrophobicContact CG-CE1 4.25Å; Q721-Y858 HydrophobicContact CG-CG 4.01Å; H724-Y858 AromaticContact CE1-CD2 3.91Å; Y858-L860 PolarHBondContact O-N 2.79Å
859	A	63.6	Low	80	Confident	50 Å²	50	71.2 Å²	71.2	41%	0.413	41%	0.414	S	S	.	.			trans	-71.2	122.5	174.8	0	0	0	0	0	109.8	Y857 S861	Y857-A859 PolarHBondContact O-N 3.13Å; A859-S861 PolarHBondContact O-N 2.81Å
860	L	52.2	Low	79.4	Confident	56 Å²	56	66.5 Å²	66.5	29%	0.293	39%	0.391	S	S	.	.			trans	-76.1	83.6	163.9	-68.7	165.7	0	0	0	106.6	T572 F575 Y858	T572-L860 HydrophobicContact CG2-CD2 3.68Å; F575-L860 HydrophobicContact CB-CD1 4.02Å; F575-L860 HydrophobicContact CD1-CD1 4.3Å; F575-L860 HydrophobicContact CG-CD1 4.13Å; Y858-L860 PolarHBondContact O-N 2.79Å
861	S	36.1	Very low	78.2	Confident	145 Å²	145	67.1 Å²	67.1	100%	1.014	40%	0.401	S	S	*	.			trans	-80.4	0	168.8	63.2	0	0	0	0	110.9	A859	A859-S861 PolarHBondContact O-N 2.81Å

Retrieved 861 of 861 residues in 579.6 ms (Link to these results)

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