A0A077Z1S4_TRITR Loading...

IQ and DIL and Myosin head domain containing prot ein

AlphaFold DB , UniProt , Accession A0A077Z1S4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,233 aa.

						>A0A077Z1S4_TRITR|A0A077Z1S4
HRSCKRKRKPCAASPCQGRTLIRNAVENYALQGAAIWVHDPMDVWRRAKLMRDIGPNDNVMHVEMEDGEVVIQLNNECPLPFLRNPDLLLNVQDLTALSYMNEPDVLFALKNRFELGHIYTYCGIVLVAVNPYQEVDLYNDELKRLYCRKNVRQLDPHIYAVAEEAFASMNSFKKNQSIIVSGESGAGKTVSAKHVMEYLAQGCSMKRGSSSTADVPIDVQILACNPLIEAFGNAKTNRNDNSSRFGKFLQLLFEEGKTLMGARLETYLLEKCRVVSQSKGERNYHIFYQLCAARDDDPVLAGLGLCKFYDFYYLKQGLAPKLSGVNDMLAYKETKNALSIYGLKEDDMRSIFRILAGLLHWGNLTFTDDLEKSHSSHCAISVSADEAFRMCIDLLMLNADDIARCLTTRILKAGREKLVKPLNASEAASFRDAMAKCIYERLFAWIVDRVNENLFVTIPSSTQQFIGVLDIYGFEIFNSNSLEQFCINYANEVLQQQFNKQVFKREQAEYIKESIEWSYINYVDNQPCLDLIEGNLGIYDLLDQECKLPSPSDGNWFIVMTGRDECSKSAYFDVPKIRSDRLSFFVKHFAGTVNYTVDGFTEKNLDSVNAELYMVLKNSKVMQPAKSTHVDGGFNSNCQGSQAPNKQKLTVAFKFRQSLEALKSLLDQTMLHYVRCIKPNDEKKQLVFHNARVIQQLRACGVMETIRISAAGFPSRWKYEDFARRYFILLKKLKRSSQETPRTRCELICRSLLEEDAFRLGQTQVFFRSGQVALLESARLKRQEDAATLIQKTFRGYVARKRFLKMRRSVLTIQHFGRAWLAWRWTRFIQMYVAATLIQSFFKMVVTRRRFLNLQFSAVSIQRAYRSSNLENAIIIQKYVRAWLARRKFLSKRRAAISIQCAVRRWLAQKNSTILFWLVNFGLEKKVIELHEKLTDAVSLNDDRGSLFYGSALGIEAAIVSSVLRLQRIRRKSGSLRHWFFFSRTDLLACLHWLDVYRRLSNLLHQYVCSSSLITAIYLFKECMTKLMKECIEPFIIPLIGKQNSWSNRVRMREGHANQGTPVLPSASLRKFSLDMEINEIMYRANLCNFTSATRIRHNLSALECWLRRHNFVEATGTLQPLFQVTHLLQTRKNEKDVSCWNEMCNCLTIAQVSLLRNYTPMDAFESKPSPAFIQFVEVSLRSERSGEKNEKSLVTSMPTFDGSNPFQFTANCVDLASVELPAFMKDCACKF
					

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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	H	40.2	Very low	33.8	Very low	248 Å²	248	185.5 Å²	185.5	100%	1.148	88%	0.883	S	S	*	*				0	104	0	-82.6	-79.2	0	0	0	110.8
2	R	33.3	Very low	33.4	Very low	240 Å²	240	178 Å²	178	91%	0.906	88%	0.876	S	S	*	*			trans	-76.5	156.5	167.2	-75.9	176.9	171.7	176	-2.6	109.2
3	S	35.2	Very low	33.2	Very low	116 Å²	116	171.8 Å²	171.8	81%	0.811	87%	0.871	S	S	*	*			trans	70	89.5	166	70.7	0	0	0	0	119.4
4	C	37.2	Very low	32.8	Very low	125 Å²	125	165.8 Å²	165.8	85%	0.845	85%	0.852	S	S	*	*			trans	-132.1	63.4	146.2	-123.5	0	0	0	0	109.6	R6	C4-R6 PolarHBondContact O-N 3.49Å
5	K	37.9	Very low	32.5	Very low	204 Å²	204	162.7 Å²	162.7	89%	0.887	85%	0.847	S	S	*	*			trans	-76.2	76.5	167.1	-78.2	-174.1	176.8	-179.3	0	108.7	K7	K5-K7 PolarHBondContact O-N 3.36Å
6	R	35.1	Very low	32.1	Very low	223 Å²	223	157.9 Å²	157.9	84%	0.842	83%	0.83	S	S	*	*			trans	-74.2	105.5	164.8	-90.6	-177.6	171.5	172.7	-2.7	108.1	C4 R8	C4-R6 PolarHBondContact O-N 3.49Å; R6-R8 VanDerWaalsContact C-N 3.33Å; R6-R8 PolarHBondContact O-N 3.12Å
7	K	32.6	Very low	31.8	Very low	212 Å²	212	157.9 Å²	157.9	92%	0.922	83%	0.825	S	S	*	*			trans	-54.8	90.7	166.3	-71	178	175.9	178.5	0	109.2	K5 K9	K5-K7 PolarHBondContact O-N 3.36Å; K7-K9 PolarHBondContact O-N 3.15Å
8	R	30.9	Very low	31.4	Very low	236 Å²	236	152 Å²	152	89%	0.891	81%	0.809	S	S	*	*			trans	-77.7	106	161.2	-80.2	-174.8	171.2	178.6	-2.4	106.6	R6	R6-R8 VanDerWaalsContact C-N 3.33Å; R6-R8 PolarHBondContact O-N 3.12Å
9	K	29.7	Very low	31	Very low	187 Å²	187	154.5 Å²	154.5	81%	0.813	81%	0.805	S	S	*	*			trans	-50.9	136.5	164.4	-82.5	178.8	171.6	-179.8	0	107.9	K7 C11	K7-K9 PolarHBondContact O-N 3.15Å; K9-C11 PolarHBondContact O-N 3.49Å; K9-C11 VanDerWaalsContact O-N 3.07Å
10	P	31.2	Very low	30.9	Very low	124 Å²	124	150.8 Å²	150.8	81%	0.805	79%	0.79	S	S	*	*			trans	-63	115	174.9	26.1	-29.7	0	0	0	107.2	A12	P10-A12 PolarHBondContact O-N 3.1Å
11	C	28.6	Very low	30.9	Very low	125 Å²	125	150 Å²	150	85%	0.845	79%	0.786	S	S	*	*			trans	-55	124.4	166.1	-73.9	0	0	0	0	106.7	K9 A13	K9-C11 PolarHBondContact O-N 3.49Å; K9-C11 VanDerWaalsContact O-N 3.07Å; C11-A13 PolarHBondContact O-N 3.27Å
12	A	29.4	Very low	30.4	Very low	96 Å²	96	143.1 Å²	143.1	79%	0.793	76%	0.757	S	S	*	*			trans	-44.9	118.9	172.2	0	0	0	0	0	108.1	P10 S14	P10-A12 PolarHBondContact O-N 3.1Å; A12-S14 VanDerWaalsContact C-N 3.28Å; A12-S14 PolarHBondContact O-N 2.72Å
13	A	30.1	Very low	30.5	Very low	98 Å²	98	141.3 Å²	141.3	81%	0.81	75%	0.75	S	S	*	*			trans	-60.5	99.1	171.9	0	0	0	0	0	106.7	C11	C11-A13 PolarHBondContact O-N 3.27Å
14	S	27.8	Very low	30.8	Very low	87 Å²	87	137.7 Å²	137.7	61%	0.608	72%	0.721	S	S	*	*			trans	-51.3	140.9	161	51.8	0	0	0	0	107.9	A12 C16	A12-S14 VanDerWaalsContact C-N 3.28Å; A12-S14 PolarHBondContact O-N 2.72Å; S14-C16 PolarHBondContact O-N 3.41Å
15	P	29	Very low	31.2	Very low	119 Å²	119	133.2 Å²	133.2	77%	0.773	69%	0.693	S	S	*	*			trans	-66.2	97.9	-166.3	19.4	-20.6	0	0	0	110.6	Q17	P15-Q17 PolarHBondContact O-N 3.05Å; P15-Q17 VanDerWaalsContact O-N 3.14Å
16	C	25.3	Very low	31.8	Very low	86 Å²	86	125.4 Å²	125.4	58%	0.581	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	18.4	172.2	-69.3	0	0	0	0	112.9	S14 G18 R19	S14-C16 PolarHBondContact O-N 3.41Å; C16-G18 PolarHBondContact O-N 2.83Å; C16-R19 PolarHBondContact O-N 3.18Å
17	Q	27.6	Very low	32.8	Very low	158 Å²	158	120.5 Å²	120.5	74%	0.738	65%	0.649	S	S	*	*	H	α-helix	trans	-64.2	-22	178.7	-77.4	-176.6	-16	0	0	112.9	P15	P15-Q17 PolarHBondContact O-N 3.05Å; P15-Q17 VanDerWaalsContact O-N 3.14Å
18	G	23.7	Very low	34	Very low	52 Å²	52	111.2 Å²	111.2	54%	0.536	61%	0.609	S	S	.	*	H	α-helix	trans	-72.3	-23.4	175.8	0	0	0	0	0	115.2	C16	C16-G18 PolarHBondContact O-N 2.83Å
19	R	25.1	Very low	35.5	Very low	199 Å²	199	100.9 Å²	100.9	75%	0.751	57%	0.57	S	S	*	*	H	α-helix	trans	-85	-27.5	-177	-86.6	-175.3	175.2	176.4	-1.3	113.7	C16 I22	C16-R19 PolarHBondContact O-N 3.18Å; R19-I22 PolarHBondContact O-N 3.44Å
20	T	27.6	Very low	36.8	Very low	81 Å²	81	94 Å²	94	50%	0.497	55%	0.549	S	S	.	.	H	α-helix	trans	-71.2	-38	-178.3	-28.7	0	0	0	0	111.5	I22 R23 N24	T20-I22 VanDerWaalsContact C-N 3.28Å; T20-I22 PolarHBondContact O-N 3.16Å; T20-R23 PolarHBondContact O-N 3.45Å; T20-N24 PolarHBondContact O-N 3.24Å
21	L	30.4	Very low	38.1	Very low	133 Å²	133	91.5 Å²	91.5	70%	0.696	53%	0.528	S	S	*	.	H	α-helix	trans	-60.2	-35.2	175.9	-90.4	149.6	0	0	0	113.2	A25	L21-A25 WeakPolarHBondContact O-CB 3.26Å; L21-A25 PolarHBondContact O-N 3.21Å; L21-A25 VanDerWaalsContact O-N 3.15Å
22	I	31.1	Very low	39.6	Very low	105 Å²	105	92.6 Å²	92.6	54%	0.538	52%	0.521	S	S	.	.	H	α-helix	trans	-69.7	-37.6	-179.2	-58.6	174	0	0	0	111.1	R19 T20 A25 V26	R19-I22 PolarHBondContact O-N 3.44Å; T20-I22 VanDerWaalsContact C-N 3.28Å; T20-I22 PolarHBondContact O-N 3.16Å; I22-A25 PolarHBondContact O-N 3.46Å; I22-V26 HydrophobicContact CG2-CG2 4.29Å; I22-V26 VanDerWaalsContact O-CG2 3.29Å; I22-V26 WeakPolarHBondContact O-CG2 3.2Å; I22-V26 PolarHBondContact O-N 3.38Å
23	R	34.1	Very low	41.4	Very low	202 Å²	202	90 Å²	90	76%	0.762	50%	0.504	S	S	*	.	H	α-helix	trans	-63.8	-46	178.7	-82.9	-172.4	175.9	179.6	-2	112.1	T20 A25 V26 E27	T20-R23 PolarHBondContact O-N 3.45Å; R23-A25 VanDerWaalsContact C-N 3.25Å; R23-A25 PolarHBondContact O-N 3.39Å; R23-V26 PolarHBondContact O-N 3.35Å; R23-E27 PolarHBondContact O-N 2.99Å
24	N	41.7	Very low	43.5	Very low	40 Å²	40	86.1 Å²	86.1	21%	0.214	47%	0.471	C	S	.	.	H	α-helix	trans	-68.4	-28.9	-179.8	-66.5	14.4	0	0	0	111.5	T20 N28 E755	T20-N24 PolarHBondContact O-N 3.24Å; N24-N28 PolarHBondContact O-ND2 2.83Å; N24-E755 PolarHBondContact ND2-OE2 3.48Å; N24-E755 PolarHBondContact OD1-OE2 2.86Å; N24-E755 VanDerWaalsContact OD1-OE2 3.09Å
25	A	47.1	Very low	46.1	Very low	31 Å²	31	83.1 Å²	83.1	26%	0.256	45%	0.452	S	S	.	.	H	α-helix	trans	-66.5	-49.1	172.8	0	0	0	0	0	111.4	L21 I22 R23 E27 N28 Y29	L21-A25 WeakPolarHBondContact O-CB 3.26Å; L21-A25 PolarHBondContact O-N 3.21Å; L21-A25 VanDerWaalsContact O-N 3.15Å; I22-A25 PolarHBondContact O-N 3.46Å; R23-A25 VanDerWaalsContact C-N 3.25Å; R23-A25 PolarHBondContact O-N 3.39Å; A25-E27 VanDerWaalsContact C-N 3.31Å; A25-E27 PolarHBondContact O-N 3.29Å; A25-N28 WeakPolarHBondContact O-CB 3.37Å; A25-N28 PolarHBondContact O-N 3.22Å; A25-Y29 HydrophobicContact CB-CE2 4.31Å; A25-Y29 WeakPolarHBondContact O-CD2 2.88Å; A25-Y29 PolarHBondContact O-N 3.24Å
26	V	50.1	Low	48.9	Very low	39 Å²	39	77.4 Å²	77.4	24%	0.236	42%	0.415	C	S	.	.	H	α-helix	trans	-60.5	-37	-174.9	175.6	0	0	0	0	112.3	I22 R23 N28 Y29 A30	I22-V26 HydrophobicContact CG2-CG2 4.29Å; I22-V26 VanDerWaalsContact O-CG2 3.29Å; I22-V26 WeakPolarHBondContact O-CG2 3.2Å; I22-V26 PolarHBondContact O-N 3.38Å; R23-V26 PolarHBondContact O-N 3.35Å; V26-N28 PolarHBondContact O-N 3.08Å; V26-Y29 CarbonylContact O-C 3.59Å; V26-Y29 PolarHBondContact O-N 3.01Å; V26-A30 WeakPolarHBondContact O-CB 3.33Å; V26-A30 PolarHBondContact O-N 2.92Å
27	E	55.4	Low	51.9	Low	121 Å²	121	73.6 Å²	73.6	57%	0.565	39%	0.388	S	S	*	.	H	α-helix	trans	-59.3	-33.9	176.7	-69.6	-167.6	165.4	0	0	113	R23 A25 A30	R23-E27 PolarHBondContact O-N 2.99Å; A25-E27 VanDerWaalsContact C-N 3.31Å; A25-E27 PolarHBondContact O-N 3.29Å; E27-A30 PolarHBondContact O-N 3.45Å
28	N	57.2	Low	54.7	Low	16 Å²	16	67 Å²	67	9%	0.086	36%	0.359	C	S	.	.	H	α-helix	trans	-73.3	-26.4	176.3	-67.7	-40.2	0	0	0	113.1	N24 A25 V26 L83 L775	N24-N28 PolarHBondContact O-ND2 2.83Å; A25-N28 WeakPolarHBondContact O-CB 3.37Å; A25-N28 PolarHBondContact O-N 3.22Å; V26-N28 PolarHBondContact O-N 3.08Å; N28-L83 HydrophobicContact CB-CD1 3.37Å; N28-L83 HydrophobicContact CB-CD2 4.42Å; N28-L775 WeakPolarHBondContact OD1-CD1 3.43Å; N28-L775 WeakPolarHBondContact OD1-CD2 3.16Å; N28-L775 WeakPolarHBondContact OD1-CG 3.32Å
29	Y	64.4	Low	57.5	Low	19 Å²	19	70.3 Å²	70.3	8%	0.075	36%	0.36	C	S	.	.	H	α-helix	trans	-87.6	-12.5	173.2	-61.8	-85.7	0	0	0	112.9	A25 V26 L31 I36 L50 L80 P81 L83	A25-Y29 HydrophobicContact CB-CE2 4.31Å; A25-Y29 WeakPolarHBondContact O-CD2 2.88Å; A25-Y29 PolarHBondContact O-N 3.24Å; V26-Y29 CarbonylContact O-C 3.59Å; V26-Y29 PolarHBondContact O-N 3.01Å; Y29-L31 PolarHBondContact O-N 3.29Å; Y29-L31 VanDerWaalsContact O-N 3.14Å; Y29-I36 HydrophobicContact CD1-CG2 4.47Å; Y29-I36 HydrophobicContact CE1-CG2 4.24Å; Y29-L50 WeakPolarHBondContact O-CD2 3.43Å; Y29-L80 HydrophobicContact CD2-CD1 4.36Å; Y29-L80 HydrophobicContact CE2-CB 4.34Å; Y29-L80 HydrophobicContact CE2-CD1 4.11Å; Y29-P81 HydrophobicContact CE1-CG 4.23Å; Y29-P81 VanDerWaalsContact CE1-O 3.3Å; Y29-P81 WeakPolarHBondContact CE1-O 3.42Å; Y29-P81 VanDerWaalsContact CZ-O 3.3Å; Y29-P81 PolarHBondContact OH-O 3.47Å; Y29-L83 HydrophobicContact CD1-CD2 3.87Å; Y29-L83 HydrophobicContact CD1-CG 4.38Å; Y29-L83 HydrophobicContact CE1-CD1 4.43Å; Y29-L83 HydrophobicContact CE1-CD2 3.72Å; Y29-L83 HydrophobicContact CE1-CG 3.78Å; Y29-L83 HydrophobicContact CE2-CD1 3.98Å; Y29-L83 HydrophobicContact CE2-CG 4.2Å; Y29-L83 HydrophobicContact CG-CD2 4.38Å
30	A	56.5	Low	60.3	Low	44 Å²	44	61.7 Å²	61.7	36%	0.364	33%	0.329	S	S	.	.	S	Bend	trans	-79.3	15.2	-179.8	0	0	0	0	0	113.7	V26 E27	V26-A30 WeakPolarHBondContact O-CB 3.33Å; V26-A30 PolarHBondContact O-N 2.92Å; E27-A30 PolarHBondContact O-N 3.45Å
31	L	57.7	Low	62.7	Low	70 Å²	70	63.4 Å²	63.4	37%	0.366	34%	0.342	S	S	.	.	S	Bend	trans	-110.9	104.5	175.9	-74.3	163.3	0	0	0	108.6	Y29 G33 A34	Y29-L31 PolarHBondContact O-N 3.29Å; Y29-L31 VanDerWaalsContact O-N 3.14Å; L31-G33 PolarHBondContact O-N 3.27Å; L31-A34 VanDerWaalsContact O-CB 3.26Å; L31-A34 WeakPolarHBondContact O-CB 3.39Å; L31-A34 PolarHBondContact O-N 3.42Å
32	Q	60.1	Low	65	Low	149 Å²	149	64.8 Å²	64.8	70%	0.696	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.5	126	170	-164.9	179.6	10.8	0	0	110.4	M51 D53	Q32-M51 VanDerWaalsContact CG-O 3.23Å; Q32-M51 WeakPolarHBondContact CG-O 3.21Å; Q32-M51 PolarHBondContact NE2-O 3.29Å; Q32-D53 WeakPolarHBondContact CA-OD1 3.27Å; Q32-D53 PolarHBondContact N-OD1 3.45Å
33	G	68	Low	67.4	Low	42 Å²	42	63.4 Å²	63.4	43%	0.433	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	5.8	-174.5	0	0	0	0	0	115.4	L31 A35 L50	L31-G33 PolarHBondContact O-N 3.27Å; G33-A35 PolarHBondContact O-N 3.44Å; G33-L50 WeakPolarHBondContact CA-O 3.31Å; G33-L50 PolarHBondContact N-O 2.87Å
34	A	74.2	Confident	69.9	Low	15 Å²	15	54.8 Å²	54.8	12%	0.124	31%	0.31	C	S	.	.			trans	-54.4	128.3	176	0	0	0	0	0	111.2	L31 K49 L50 L83	L31-A34 VanDerWaalsContact O-CB 3.26Å; L31-A34 WeakPolarHBondContact O-CB 3.39Å; L31-A34 PolarHBondContact O-N 3.42Å; A34-K49 WeakPolarHBondContact O-CA 3.46Å; A34-L50 HydrophobicContact CB-CB 4.27Å; A34-L50 WeakPolarHBondContact O-CB 3.37Å; A34-L50 PolarHBondContact O-N 3Å; A34-L83 HydrophobicContact CB-CD2 4.49Å
35	A	82.3	Confident	72.2	Confident	24 Å²	24	54.7 Å²	54.7	20%	0.198	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	132.1	178.3	0	0	0	0	0	110.1	G33 R84	G33-A35 PolarHBondContact O-N 3.44Å; A35-R84 HydrophobicContact CB-CB 3.78Å; A35-R84 HydrophobicContact CB-CG 4.44Å; A35-R84 WeakPolarHBondContact O-CB 3.35Å; A35-R84 PolarHBondContact O-N 3.03Å
36	I	86.9	Confident	74	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	166.9	-176.1	62.9	172.5	0	0	0	111.3	Y29 V38 A48 M61 V63 P81 F82 L83	Y29-I36 HydrophobicContact CD1-CG2 4.47Å; Y29-I36 HydrophobicContact CE1-CG2 4.24Å; I36-V38 HydrophobicContact CD1-CG2 4.38Å; I36-A48 HydrophobicContact CD1-CB 4.32Å; I36-A48 HydrophobicContact CG1-CB 3.71Å; I36-A48 PolarHBondContact N-O 2.93Å; I36-A48 PolarHBondContact O-N 3.36Å; I36-A48 VanDerWaalsContact O-O 3.14Å; I36-M61 HydrophobicContact CD1-CE 3.87Å; I36-M61 HydrophobicContact CD1-SD 3.87Å; I36-V63 HydrophobicContact CD1-CG1 3.99Å; I36-V63 HydrophobicContact CD1-CG2 3.87Å; I36-V63 HydrophobicContact CG1-CG1 4.48Å; I36-P81 HydrophobicContact CD1-CB 4.32Å; I36-P81 HydrophobicContact CD1-CG 3.94Å; I36-F82 CarbonylContact C-O 3.59Å; I36-F82 VanDerWaalsContact CA-O 3.29Å; I36-F82 WeakPolarHBondContact CA-O 3.46Å; I36-L83 HydrophobicContact CG2-CD2 4.16Å
37	W	88	Confident	75.8	Confident	5 Å²	5	57 Å²	57	2%	0.019	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.3	171.5	-64	105.9	0	0	0	110.7	W45 R47 P81 F82 R84 P104 D105 F108	W37-W45 HydrophobicContact CB-CE3 4.2Å; W37-W45 HydrophobicContact CE3-CB 4.11Å; W37-R47 HydrophobicContact CE3-CG 4.21Å; W37-R47 HydrophobicContact CH2-CG 3.81Å; W37-R47 HydrophobicContact CZ3-CB 4.49Å; W37-R47 HydrophobicContact CZ3-CG 3.49Å; W37-R47 VanDerWaalsContact CZ3-CG 3.49Å; W37-P81 VanDerWaalsContact O-CB 3.3Å; W37-P81 WeakPolarHBondContact O-CB 3.5Å; W37-F82 HydrophobicContact CB-CB 4.12Å; W37-F82 PolarHBondContact N-O 3.39Å; W37-R84 HydrophobicContact CD2-CG 4.46Å; W37-R84 HydrophobicContact CZ2-CG 3.75Å; W37-P104 HydrophobicContact CB-CB 4.05Å; W37-P104 HydrophobicContact CB-CG 3.9Å; W37-P104 VanDerWaalsContact CD1-CG 3.4Å; W37-P104 HydrophobicContact CD2-CB 3.53Å; W37-P104 HydrophobicContact CD2-CG 4.08Å; W37-P104 HydrophobicContact CE3-CB 4.04Å; W37-P104 HydrophobicContact CG-CB 3.53Å; W37-P104 HydrophobicContact CG-CG 3.53Å; W37-P104 HydrophobicContact CZ2-CB 4.42Å; W37-D105 PolarHBondContact NE1-OD1 3.43Å; W37-D105 PolarHBondContact NE1-OD2 3.36Å; W37-F108 HydrophobicContact CH2-CB 3.78Å; W37-F108 AromaticContact CH2-CD2 3.72Å; W37-F108 HydrophobicContact CH2-CD2 3.72Å; W37-F108 AromaticContact CH2-CG 3.8Å; W37-F108 HydrophobicContact CH2-CG 3.8Å; W37-F108 HydrophobicContact CZ2-CB 4.1Å; W37-F108 HydrophobicContact CZ2-CG 4.43Å; W37-F108 HydrophobicContact CZ3-CD2 4.36Å
38	V	86.2	Confident	77.3	Confident	21 Å²	21	51.3 Å²	51.3	13%	0.127	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138	175.2	179.1	0	0	0	0	108.4	I36 D40 W45 R46 A48 V63 M65 I72	I36-V38 HydrophobicContact CD1-CG2 4.38Å; V38-D40 PolarHBondContact O-N 3.46Å; V38-W45 WeakPolarHBondContact O-CA 3.37Å; V38-R46 PolarHBondContact N-O 2.82Å; V38-R46 PolarHBondContact O-N 3.37Å; V38-A48 HydrophobicContact CG2-CB 3.76Å; V38-V63 HydrophobicContact CG2-CG1 4.38Å; V38-M65 HydrophobicContact CB-SD 4.26Å; V38-M65 HydrophobicContact CG2-SD 4.3Å; V38-I72 HydrophobicContact CB-CD1 4.38Å; V38-I72 HydrophobicContact CG1-CD1 3.69Å; V38-I72 HydrophobicContact CG2-CD1 3.69Å
39	H	83.8	Confident	78.7	Confident	120 Å²	120	55.3 Å²	55.3	56%	0.556	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	132.5	177	-177.4	-78.6	0	0	0	110	V44 W45	H39-V44 WeakPolarHBondContact CA-O 3.42Å; H39-W45 HydrophobicContact CB-CE3 4.33Å; H39-W45 HydrophobicContact CB-CZ3 3.98Å
40	D	83.1	Confident	79.5	Confident	19 Å²	19	54.5 Å²	54.5	10%	0.102	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.6	177.8	-177.5	69.2	0	0	0	110.2	V38 M42 D43 V44 R46	V38-D40 PolarHBondContact O-N 3.46Å; D40-M42 PolarHBondContact O-N 3.3Å; D40-M42 WeakPolarHBondContact OD2-CB 3.27Å; D40-M42 PolarHBondContact OD2-N 3.17Å; D40-M42 VanDerWaalsContact OD2-N 3.08Å; D40-D43 PolarHBondContact OD2-N 3.17Å; D40-V44 PolarHBondContact N-O 3.45Å; D40-V44 CarbonylContact O-C 3.59Å; D40-V44 VanDerWaalsContact O-C 3.3Å; D40-V44 WeakPolarHBondContact O-CA 3.49Å; D40-V44 PolarHBondContact O-N 3.25Å; D40-R46 HydrophobicContact CB-CB 4.2Å; D40-R46 IonicContact OD1-CZ 3.12Å; D40-R46 IonicContact OD1-NH1 3.43Å; D40-R46 IonicContact OD1-NH2 3.3Å; D40-R46 PolarHBondContact OD1-NH2 3.33Å; D40-R46 IonicContact OD2-NH2 3.35Å; D40-R46 PolarHBondContact OD2-NH2 3.42Å; D40-R46 VanDerWaalsContact OD2-NH2 3.13Å
41	P	79.6	Confident	80.6	Confident	117 Å²	117	54.4 Å²	54.4	76%	0.76	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.7	-178.5	-24.5	34.2	0	0	0	114.8
42	M	78.4	Confident	81.4	Confident	162 Å²	162	58.3 Å²	58.3	80%	0.798	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-53.8	-175.9	-66.6	-69.1	-69.1	0	0	111.7	D40	D40-M42 PolarHBondContact O-N 3.3Å; D40-M42 WeakPolarHBondContact OD2-CB 3.27Å; D40-M42 PolarHBondContact OD2-N 3.17Å; D40-M42 VanDerWaalsContact OD2-N 3.08Å
43	D	81.2	Confident	81.8	Confident	76 Å²	76	55.4 Å²	55.4	41%	0.406	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	0.2	-176.8	-74	-44.6	0	0	0	113.9	D40 W45 N691	D40-D43 PolarHBondContact OD2-N 3.17Å; D43-W45 PolarHBondContact O-N 3.42Å; D43-N691 WeakPolarHBondContact O-CB 3.23Å; D43-N691 PolarHBondContact O-ND2 2.94Å
44	V	86.2	Confident	81.7	Confident	20 Å²	20	54.2 Å²	54.2	12%	0.121	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67.8	-48.7	-168.5	-161.7	0	0	0	0	113.2	H39 D40 N691 A692 I695	H39-V44 WeakPolarHBondContact CA-O 3.42Å; D40-V44 PolarHBondContact N-O 3.45Å; D40-V44 CarbonylContact O-C 3.59Å; D40-V44 VanDerWaalsContact O-C 3.3Å; D40-V44 WeakPolarHBondContact O-CA 3.49Å; D40-V44 PolarHBondContact O-N 3.25Å; V44-N691 HydrophobicContact CG2-CB 4.06Å; V44-A692 VanDerWaalsContact CG2-CA 3.43Å; V44-A692 HydrophobicContact CG2-CB 3.79Å; V44-I695 HydrophobicContact CB-CD1 4Å; V44-I695 HydrophobicContact CG1-CD1 3.58Å; V44-I695 HydrophobicContact CG2-CD1 4.36Å
45	W	89.1	Confident	81.3	Confident	39 Å²	39	54.8 Å²	54.8	15%	0.148	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	131.9	-178.3	-61.4	107.3	0	0	0	111.2	W37 V38 H39 D43 F82 E103 P104 I695	W37-W45 HydrophobicContact CB-CE3 4.2Å; W37-W45 HydrophobicContact CE3-CB 4.11Å; V38-W45 WeakPolarHBondContact O-CA 3.37Å; H39-W45 HydrophobicContact CB-CE3 4.33Å; H39-W45 HydrophobicContact CB-CZ3 3.98Å; D43-W45 PolarHBondContact O-N 3.42Å; W45-F82 AromaticContact CH2-CD2 3.64Å; W45-F82 HydrophobicContact CH2-CD2 3.64Å; W45-F82 AromaticContact CH2-CE2 3.54Å; W45-F82 HydrophobicContact CH2-CE2 3.54Å; W45-F82 HydrophobicContact CZ2-CD2 4.21Å; W45-F82 AromaticContact CZ2-CE2 3.96Å; W45-F82 HydrophobicContact CZ2-CE2 3.96Å; W45-F82 AromaticContact CZ3-CD2 3.87Å; W45-F82 HydrophobicContact CZ3-CD2 3.87Å; W45-F82 HydrophobicContact CZ3-CE2 4.24Å; W45-E103 PolarHBondContact NE1-OE1 3.47Å; W45-P104 HydrophobicContact CB-CB 3.9Å; W45-P104 HydrophobicContact CD2-CB 3.87Å; W45-P104 HydrophobicContact CD2-CG 4.28Å; W45-P104 HydrophobicContact CE3-CB 4.44Å; W45-P104 HydrophobicContact CG-CB 3.6Å; W45-P104 HydrophobicContact CG-CG 4.5Å; W45-I695 VanDerWaalsContact CD1-CD1 3.47Å
46	R	85.8	Confident	80.3	Confident	58 Å²	58	59.4 Å²	59.4	22%	0.219	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	148.4	175.2	-162.5	175.2	-64.9	153.2	13.5	111.4	V38 D40 M65 D67	V38-R46 PolarHBondContact N-O 2.82Å; V38-R46 PolarHBondContact O-N 3.37Å; D40-R46 HydrophobicContact CB-CB 4.2Å; D40-R46 IonicContact OD1-CZ 3.12Å; D40-R46 IonicContact OD1-NH1 3.43Å; D40-R46 IonicContact OD1-NH2 3.3Å; D40-R46 PolarHBondContact OD1-NH2 3.33Å; D40-R46 IonicContact OD2-NH2 3.35Å; D40-R46 PolarHBondContact OD2-NH2 3.42Å; D40-R46 VanDerWaalsContact OD2-NH2 3.13Å; R46-M65 HydrophobicContact CG-SD 4.48Å; R46-D67 IonicContact NH1-OD2 2.87Å; R46-D67 PolarHBondContact NH1-OD2 3.44Å; R46-D67 VanDerWaalsContact NH1-OD2 3.16Å
47	R	88.2	Confident	79.3	Confident	59 Å²	59	66.3 Å²	66.3	22%	0.223	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	139.2	179	-66.9	171.3	166.8	-155.4	-14	110.5	W37	W37-R47 HydrophobicContact CE3-CG 4.21Å; W37-R47 HydrophobicContact CH2-CG 3.81Å; W37-R47 HydrophobicContact CZ3-CB 4.49Å; W37-R47 HydrophobicContact CZ3-CG 3.49Å; W37-R47 VanDerWaalsContact CZ3-CG 3.49Å
48	A	87.3	Confident	78.3	Confident	3 Å²	3	69.9 Å²	69.9	3%	0.025	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	163.6	-179.1	0	0	0	0	0	111.7	I36 V38 V63 E64 M65	I36-A48 HydrophobicContact CD1-CB 4.32Å; I36-A48 HydrophobicContact CG1-CB 3.71Å; I36-A48 PolarHBondContact N-O 2.93Å; I36-A48 PolarHBondContact O-N 3.36Å; I36-A48 VanDerWaalsContact O-O 3.14Å; V38-A48 HydrophobicContact CG2-CB 3.76Å; A48-V63 HydrophobicContact CB-CG1 3.21Å; A48-E64 CarbonylContact C-O 3.54Å; A48-E64 WeakPolarHBondContact CA-O 3.44Å; A48-M65 HydrophobicContact CB-CG 4.33Å; A48-M65 HydrophobicContact CB-SD 3.83Å
49	K	86.2	Confident	77.6	Confident	99 Å²	99	74.5 Å²	74.5	43%	0.43	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.3	171.9	-70.1	-180	-176.5	171.2	0	111.2	A34 V63 E64	A34-K49 WeakPolarHBondContact O-CA 3.46Å; K49-V63 CarbonylContact O-C 3.6Å; K49-V63 WeakPolarHBondContact O-CA 3.35Å; K49-E64 HydrophobicContact CB-CB 4.46Å; K49-E64 PolarHBondContact N-O 3.32Å; K49-E64 PolarHBondContact O-N 3.49Å
50	L	81.6	Confident	77.2	Confident	2 Å²	2	71.4 Å²	71.4	1%	0.01	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	125.6	176.3	-172.8	70.8	0	0	0	110.6	Y29 G33 A34 R52 I54 M61	Y29-L50 WeakPolarHBondContact O-CD2 3.43Å; G33-L50 WeakPolarHBondContact CA-O 3.31Å; G33-L50 PolarHBondContact N-O 2.87Å; A34-L50 HydrophobicContact CB-CB 4.27Å; A34-L50 WeakPolarHBondContact O-CB 3.37Å; A34-L50 PolarHBondContact O-N 3Å; L50-R52 VanDerWaalsContact CD2-O 3.27Å; L50-R52 WeakPolarHBondContact CD2-O 3.32Å; L50-R52 WeakPolarHBondContact CG-O 3.35Å; L50-I54 HydrophobicContact CD1-CD1 3.79Å; L50-I54 HydrophobicContact CD1-CG1 3.95Å; L50-I54 HydrophobicContact CD2-CD1 4.29Å; L50-I54 HydrophobicContact CD2-CG1 4.15Å; L50-M61 HydrophobicContact CD1-CG 3.32Å; L50-M61 HydrophobicContact CD1-SD 3.69Å
51	M	79	Confident	76.9	Confident	42 Å²	42	70.6 Å²	70.6	21%	0.207	37%	0.368	C	S	.	.	S	Bend	trans	-85.6	-25.2	-178.2	-65.8	-139.3	-52.8	0	0	114.6	Q32 H62 E64 E69	Q32-M51 VanDerWaalsContact CG-O 3.23Å; Q32-M51 WeakPolarHBondContact CG-O 3.21Å; Q32-M51 PolarHBondContact NE2-O 3.29Å; M51-H62 HydrophobicContact CB-CB 4.23Å; M51-H62 HydrophobicContact CE-CB 4.31Å; M51-H62 PolarHBondContact N-O 3.29Å; M51-E64 HydrophobicContact CG-CB 4.02Å; M51-E64 HydrophobicContact SD-CB 4.31Å; M51-E69 HydrophobicContact CE-CG 4.16Å; M51-E69 WeakPolarHBondContact CE-OE1 3.44Å; M51-E69 VanDerWaalsContact CE-OE2 3.31Å; M51-E69 WeakPolarHBondContact CE-OE2 3.43Å; M51-E69 HydrophobicContact SD-CG 4.01Å; M51-E69 VanDerWaalsContact SD-OE1 3.42Å
52	R	73.5	Confident	76.9	Confident	153 Å²	153	67.7 Å²	67.7	58%	0.577	34%	0.344	S	S	*	.	S	Bend	trans	-143.9	146.9	-175.5	-61.7	-176.7	-174.6	168.6	3.2	109.9	L50	L50-R52 VanDerWaalsContact CD2-O 3.27Å; L50-R52 WeakPolarHBondContact CD2-O 3.32Å; L50-R52 WeakPolarHBondContact CG-O 3.35Å
53	D	69.7	Low	77.2	Confident	87 Å²	87	60 Å²	60	47%	0.465	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-61.5	137.5	176.8	-57.4	-23.2	0	0	0	110.5	Q32	Q32-D53 WeakPolarHBondContact CA-OD1 3.27Å; Q32-D53 PolarHBondContact N-OD1 3.45Å
54	I	66.8	Low	77.4	Confident	17 Å²	17	61 Å²	61	9%	0.087	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-94.9	116.2	177.5	-56.3	171.8	0	0	0	108.4	L50 D58 M61 L74	L50-I54 HydrophobicContact CD1-CD1 3.79Å; L50-I54 HydrophobicContact CD1-CG1 3.95Å; L50-I54 HydrophobicContact CD2-CD1 4.29Å; L50-I54 HydrophobicContact CD2-CG1 4.15Å; I54-D58 HydrophobicContact CG2-CB 4.05Å; I54-M61 HydrophobicContact CD1-CB 4.12Å; I54-M61 HydrophobicContact CD1-CG 3.55Å; I54-M61 HydrophobicContact CD1-SD 3.52Å; I54-M61 VanDerWaalsContact CD1-SD 3.52Å; I54-M61 HydrophobicContact CG1-CG 4.21Å; I54-L74 HydrophobicContact CG2-CD1 4.22Å
55	G	64.3	Low	77.1	Confident	27 Å²	27	61.3 Å²	61.3	28%	0.278	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-77.4	161.7	168.7	0	0	0	0	0	112.3	N57 D58	G55-N57 PolarHBondContact O-N 3.43Å; G55-D58 PolarHBondContact N-OD2 3.42Å; G55-D58 PolarHBondContact O-N 3.46Å; G55-D58 VanDerWaalsContact O-N 3.12Å
56	P	62.4	Low	76.6	Confident	121 Å²	121	66.9 Å²	66.9	79%	0.786	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.4	-178.4	24.4	-33.9	0	0	0	115
57	N	65.6	Low	76.2	Confident	145 Å²	145	70.5 Å²	70.5	78%	0.775	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	7.2	179.7	-68.5	-6.2	0	0	0	113	G55 N59	G55-N57 PolarHBondContact O-N 3.43Å; N57-N59 PolarHBondContact O-OD1 3.41Å
58	D	67.3	Low	75.8	Confident	80 Å²	80	69.3 Å²	69.3	43%	0.428	37%	0.366	S	S	.	.			trans	-80.3	124.4	179.9	-73.2	-25.3	0	0	0	110.4	I54 G55 V60	I54-D58 HydrophobicContact CG2-CB 4.05Å; G55-D58 PolarHBondContact N-OD2 3.42Å; G55-D58 PolarHBondContact O-N 3.46Å; G55-D58 VanDerWaalsContact O-N 3.12Å; D58-V60 VanDerWaalsContact C-N 3.34Å
59	N	71.8	Confident	75.5	Confident	118 Å²	118	75.6 Å²	75.6	63%	0.631	40%	0.395	S	S	*	.			trans	-92.5	0.7	179.3	-62.2	-8.4	0	0	0	112.5	N57 L74	N57-N59 PolarHBondContact O-OD1 3.41Å; N59-L74 PolarHBondContact O-N 3.14Å
60	V	75.4	Confident	75.2	Confident	55 Å²	55	74 Å²	74	33%	0.333	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	135.4	-171.1	-178.6	0	0	0	0	109.7	D58 V71 Q73	D58-V60 VanDerWaalsContact C-N 3.34Å; V60-V71 HydrophobicContact CG1-CG1 3.08Å; V60-Q73 HydrophobicContact CG2-CG 4.18Å
61	M	75.6	Confident	75	Confident	2 Å²	2	78 Å²	78	1%	0.01	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.1	178.3	-175.9	-178.9	60	0	0	110.3	I36 L50 I54 V63 I72 L74 P81	I36-M61 HydrophobicContact CD1-CE 3.87Å; I36-M61 HydrophobicContact CD1-SD 3.87Å; L50-M61 HydrophobicContact CD1-CG 3.32Å; L50-M61 HydrophobicContact CD1-SD 3.69Å; I54-M61 HydrophobicContact CD1-CB 4.12Å; I54-M61 HydrophobicContact CD1-CG 3.55Å; I54-M61 HydrophobicContact CD1-SD 3.52Å; I54-M61 VanDerWaalsContact CD1-SD 3.52Å; I54-M61 HydrophobicContact CG1-CG 4.21Å; M61-V63 HydrophobicContact CE-CG2 3.39Å; M61-V63 HydrophobicContact CG-CG2 3.77Å; M61-V63 HydrophobicContact SD-CG2 3.99Å; M61-I72 HydrophobicContact CE-CB 3.95Å; M61-I72 HydrophobicContact CE-CD1 3.73Å; M61-I72 HydrophobicContact CE-CG1 4.26Å; M61-I72 HydrophobicContact CE-CG2 4.3Å; M61-I72 PolarHBondContact N-O 3.46Å; M61-I72 PolarHBondContact O-N 3.33Å; M61-L74 HydrophobicContact CB-CD1 4.22Å; M61-L74 HydrophobicContact CB-CG 4.36Å; M61-P81 HydrophobicContact CE-CB 4.36Å; M61-P81 HydrophobicContact CE-CG 3.58Å; M61-P81 HydrophobicContact SD-CG 3.62Å
62	H	80.6	Confident	74.9	Confident	57 Å²	57	78.1 Å²	78.1	26%	0.264	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	120.8	175.2	-68.3	-86.1	0	0	0	110.4	M51	M51-H62 HydrophobicContact CB-CB 4.23Å; M51-H62 HydrophobicContact CE-CB 4.31Å; M51-H62 PolarHBondContact N-O 3.29Å
63	V	83.8	Confident	74.9	Confident	1 Å²	1	77.5 Å²	77.5	1%	0.006	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.6	-172.1	-174.4	0	0	0	0	110.4	I36 V38 A48 K49 M61 M65 E69 V70 I72	I36-V63 HydrophobicContact CD1-CG1 3.99Å; I36-V63 HydrophobicContact CD1-CG2 3.87Å; I36-V63 HydrophobicContact CG1-CG1 4.48Å; V38-V63 HydrophobicContact CG2-CG1 4.38Å; A48-V63 HydrophobicContact CB-CG1 3.21Å; K49-V63 CarbonylContact O-C 3.6Å; K49-V63 WeakPolarHBondContact O-CA 3.35Å; M61-V63 HydrophobicContact CE-CG2 3.39Å; M61-V63 HydrophobicContact CG-CG2 3.77Å; M61-V63 HydrophobicContact SD-CG2 3.99Å; V63-M65 HydrophobicContact CG1-CG 4.29Å; V63-E69 CarbonylContact O-C 3.54Å; V63-E69 WeakPolarHBondContact O-CA 3.49Å; V63-V70 PolarHBondContact N-O 3.46Å; V63-V70 PolarHBondContact O-N 3.43Å; V63-I72 HydrophobicContact CG2-CD1 3.99Å; V63-I72 HydrophobicContact CG2-CG1 4.34Å
64	E	84.8	Confident	74.8	Confident	96 Å²	96	74.6 Å²	74.6	45%	0.449	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	119.4	169	-175.5	-174.9	-147.8	0	0	108.9	A48 K49 M51	A48-E64 CarbonylContact C-O 3.54Å; A48-E64 WeakPolarHBondContact CA-O 3.44Å; K49-E64 HydrophobicContact CB-CB 4.46Å; K49-E64 PolarHBondContact N-O 3.32Å; K49-E64 PolarHBondContact O-N 3.49Å; M51-E64 HydrophobicContact CG-CB 4.02Å; M51-E64 HydrophobicContact SD-CB 4.31Å
65	M	81.2	Confident	74.7	Confident	27 Å²	27	78.7 Å²	78.7	13%	0.133	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	169	173.1	-60.8	-106	-86.5	0	0	109.2	V38 R46 A48 V63 D67 G68 V70	V38-M65 HydrophobicContact CB-SD 4.26Å; V38-M65 HydrophobicContact CG2-SD 4.3Å; R46-M65 HydrophobicContact CG-SD 4.48Å; A48-M65 HydrophobicContact CB-CG 4.33Å; A48-M65 HydrophobicContact CB-SD 3.83Å; V63-M65 HydrophobicContact CG1-CG 4.29Å; M65-D67 PolarHBondContact O-N 3.37Å; M65-G68 WeakPolarHBondContact CA-O 3.42Å; M65-G68 WeakPolarHBondContact CB-O 3.49Å; M65-G68 PolarHBondContact N-O 3.07Å; M65-G68 PolarHBondContact O-N 3.42Å; M65-G68 VanDerWaalsContact O-N 3.16Å; M65-V70 HydrophobicContact CG-CG2 4.17Å
66	E	77.9	Confident	74.4	Confident	156 Å²	156	86.2 Å²	86.2	73%	0.729	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.7	177.3	-66.9	-179.5	176.1	0	0	112.7
67	D	76.6	Confident	74.1	Confident	134 Å²	134	89.1 Å²	89.1	72%	0.717	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-0.4	-180	-52.9	-46	0	0	0	113.6	R46 M65	R46-D67 IonicContact NH1-OD2 2.87Å; R46-D67 PolarHBondContact NH1-OD2 3.44Å; R46-D67 VanDerWaalsContact NH1-OD2 3.16Å; M65-D67 PolarHBondContact O-N 3.37Å
68	G	79.6	Confident	73.7	Confident	33 Å²	33	85.6 Å²	85.6	34%	0.34	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	127.8	-170.2	-178.4	0	0	0	0	0	114.6	M65	M65-G68 WeakPolarHBondContact CA-O 3.42Å; M65-G68 WeakPolarHBondContact CB-O 3.49Å; M65-G68 PolarHBondContact N-O 3.07Å; M65-G68 PolarHBondContact O-N 3.42Å; M65-G68 VanDerWaalsContact O-N 3.16Å
69	E	81.4	Confident	73.5	Confident	136 Å²	136	87.3 Å²	87.3	64%	0.636	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	132.1	-178.1	-65.5	-177.4	-172.2	0	0	112	M51 V63	M51-E69 HydrophobicContact CE-CG 4.16Å; M51-E69 WeakPolarHBondContact CE-OE1 3.44Å; M51-E69 VanDerWaalsContact CE-OE2 3.31Å; M51-E69 WeakPolarHBondContact CE-OE2 3.43Å; M51-E69 HydrophobicContact SD-CG 4.01Å; M51-E69 VanDerWaalsContact SD-OE1 3.42Å; V63-E69 CarbonylContact O-C 3.54Å; V63-E69 WeakPolarHBondContact O-CA 3.49Å
70	V	80	Confident	73.5	Confident	66 Å²	66	84.7 Å²	84.7	40%	0.4	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140	178	-178.1	0	0	0	0	109.4	V63 M65 I72	V63-V70 PolarHBondContact N-O 3.46Å; V63-V70 PolarHBondContact O-N 3.43Å; M65-V70 HydrophobicContact CG-CG2 4.17Å; V70-I72 HydrophobicContact CG1-CG1 4.33Å
71	V	78.4	Confident	73.5	Confident	85 Å²	85	83 Å²	83	52%	0.515	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	117.6	177.2	-176.9	0	0	0	0	108.7	V60	V60-V71 HydrophobicContact CG1-CG1 3.08Å
72	I	75.6	Confident	73.9	Confident	44 Å²	44	87 Å²	87	23%	0.226	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.6	-178.3	-57.1	-179.1	0	0	0	108.8	V38 M61 V63 V70	V38-I72 HydrophobicContact CB-CD1 4.38Å; V38-I72 HydrophobicContact CG1-CD1 3.69Å; V38-I72 HydrophobicContact CG2-CD1 3.69Å; M61-I72 HydrophobicContact CE-CB 3.95Å; M61-I72 HydrophobicContact CE-CD1 3.73Å; M61-I72 HydrophobicContact CE-CG1 4.26Å; M61-I72 HydrophobicContact CE-CG2 4.3Å; M61-I72 PolarHBondContact N-O 3.46Å; M61-I72 PolarHBondContact O-N 3.33Å; V63-I72 HydrophobicContact CG2-CD1 3.99Å; V63-I72 HydrophobicContact CG2-CG1 4.34Å; V70-I72 HydrophobicContact CG1-CG1 4.33Å
73	Q	74.2	Confident	74	Confident	141 Å²	141	85 Å²	85	66%	0.659	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	126.2	173.3	-95.3	157.1	-36.7	0	0	110.9	V60	V60-Q73 HydrophobicContact CG2-CG 4.18Å
74	L	68.1	Low	74.1	Confident	25 Å²	25	86.4 Å²	86.4	13%	0.131	46%	0.456	C	S	.	.			trans	-92	108.5	175.2	-62.2	172.2	0	0	0	108	I54 N59 M61 L80	I54-L74 HydrophobicContact CG2-CD1 4.22Å; N59-L74 PolarHBondContact O-N 3.14Å; M61-L74 HydrophobicContact CB-CD1 4.22Å; M61-L74 HydrophobicContact CB-CG 4.36Å; L74-L80 HydrophobicContact CD1-CD2 4.09Å; L74-L80 HydrophobicContact CD2-CD2 4.21Å
75	N	63.2	Low	74	Confident	103 Å²	103	81.9 Å²	81.9	55%	0.551	44%	0.435	S	S	*	.			trans	-102.3	160.5	171.3	-65.1	-7.8	0	0	0	109.1	E77 C78	N75-E77 PolarHBondContact O-N 3.31Å; N75-C78 PolarHBondContact O-N 3.34Å
76	N	59.3	Low	73.8	Confident	185 Å²	185	82.4 Å²	82.4	99%	0.989	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-23.1	174.3	-75.5	-14.9	0	0	0	113.5
77	E	56.3	Low	73.6	Confident	183 Å²	183	79.2 Å²	79.2	86%	0.855	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-20.2	176.2	-63.5	-175.8	169	0	0	113.8	N75 P79	N75-E77 PolarHBondContact O-N 3.31Å; E77-P79 WeakPolarHBondContact O-CD 3.47Å
78	C	55.8	Low	73.4	Confident	71 Å²	71	78.6 Å²	78.6	48%	0.48	42%	0.424	S	S	.	.	S	Bend	trans	-95	102.8	178.3	-84.5	0	0	0	0	109.6	N75	N75-C78 PolarHBondContact O-N 3.34Å
79	P	64	Low	73.1	Confident	115 Å²	115	78.6 Å²	78.6	75%	0.747	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-59.1	150.9	172.5	25.5	-33.1	0	0	0	110.6	E77	E77-P79 WeakPolarHBondContact O-CD 3.47Å
80	L	70.9	Confident	72.7	Confident	63 Å²	63	72.8 Å²	72.8	33%	0.33	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-51.9	140	174.8	-73.5	167.5	0	0	0	110.4	Y29 L74	Y29-L80 HydrophobicContact CD2-CD1 4.36Å; Y29-L80 HydrophobicContact CE2-CB 4.34Å; Y29-L80 HydrophobicContact CE2-CD1 4.11Å; L74-L80 HydrophobicContact CD1-CD2 4.09Å; L74-L80 HydrophobicContact CD2-CD2 4.21Å
81	P	77.3	Confident	72.7	Confident	19 Å²	19	73.1 Å²	73.1	12%	0.123	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-62.4	147.3	-177.1	29.1	-38.8	0	0	0	111.1	Y29 I36 W37 M61 L83	Y29-P81 HydrophobicContact CE1-CG 4.23Å; Y29-P81 VanDerWaalsContact CE1-O 3.3Å; Y29-P81 WeakPolarHBondContact CE1-O 3.42Å; Y29-P81 VanDerWaalsContact CZ-O 3.3Å; Y29-P81 PolarHBondContact OH-O 3.47Å; I36-P81 HydrophobicContact CD1-CB 4.32Å; I36-P81 HydrophobicContact CD1-CG 3.94Å; W37-P81 VanDerWaalsContact O-CB 3.3Å; W37-P81 WeakPolarHBondContact O-CB 3.5Å; M61-P81 HydrophobicContact CE-CB 4.36Å; M61-P81 HydrophobicContact CE-CG 3.58Å; M61-P81 HydrophobicContact SD-CG 3.62Å; P81-L83 PolarHBondContact O-N 3.05Å
82	F	83.6	Confident	73	Confident	88 Å²	88	70.3 Å²	70.3	39%	0.386	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-61.2	131.8	179.5	-72.9	-55	0	0	0	112	I36 W37 W45 N102 P104	I36-F82 CarbonylContact C-O 3.59Å; I36-F82 VanDerWaalsContact CA-O 3.29Å; I36-F82 WeakPolarHBondContact CA-O 3.46Å; W37-F82 HydrophobicContact CB-CB 4.12Å; W37-F82 PolarHBondContact N-O 3.39Å; W45-F82 AromaticContact CH2-CD2 3.64Å; W45-F82 HydrophobicContact CH2-CD2 3.64Å; W45-F82 AromaticContact CH2-CE2 3.54Å; W45-F82 HydrophobicContact CH2-CE2 3.54Å; W45-F82 HydrophobicContact CZ2-CD2 4.21Å; W45-F82 AromaticContact CZ2-CE2 3.96Å; W45-F82 HydrophobicContact CZ2-CE2 3.96Å; W45-F82 AromaticContact CZ3-CD2 3.87Å; W45-F82 HydrophobicContact CZ3-CD2 3.87Å; W45-F82 HydrophobicContact CZ3-CE2 4.24Å; F82-N102 WeakPolarHBondContact CB-ND2 3.36Å; F82-N102 HydrophobicContact CD1-CB 3.87Å; F82-N102 HydrophobicContact CE1-CB 4.27Å; F82-N102 HydrophobicContact CG-CB 4.22Å; F82-P104 HydrophobicContact CB-CG 4.02Å; F82-P104 HydrophobicContact CD2-CG 3.98Å; F82-P104 HydrophobicContact CG-CG 4.22Å
83	L	82.6	Confident	73.5	Confident	13 Å²	13	71.7 Å²	71.7	7%	0.068	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-69.3	145.4	169.9	-70.4	157.5	0	0	0	110.2	N28 Y29 A34 I36 P81 Y100 N102	N28-L83 HydrophobicContact CB-CD1 3.37Å; N28-L83 HydrophobicContact CB-CD2 4.42Å; Y29-L83 HydrophobicContact CD1-CD2 3.87Å; Y29-L83 HydrophobicContact CD1-CG 4.38Å; Y29-L83 HydrophobicContact CE1-CD1 4.43Å; Y29-L83 HydrophobicContact CE1-CD2 3.72Å; Y29-L83 HydrophobicContact CE1-CG 3.78Å; Y29-L83 HydrophobicContact CE2-CD1 3.98Å; Y29-L83 HydrophobicContact CE2-CG 4.2Å; Y29-L83 HydrophobicContact CG-CD2 4.38Å; A34-L83 HydrophobicContact CB-CD2 4.49Å; I36-L83 HydrophobicContact CG2-CD2 4.16Å; P81-L83 PolarHBondContact O-N 3.05Å; L83-Y100 HydrophobicContact CB-CD1 4.25Å; L83-Y100 HydrophobicContact CB-CD2 4.05Å; L83-Y100 HydrophobicContact CB-CE1 4.07Å; L83-Y100 HydrophobicContact CB-CE2 3.85Å; L83-Y100 HydrophobicContact CB-CG 4.24Å; L83-Y100 HydrophobicContact CD1-CE1 3.88Å; L83-N102 PolarHBondContact O-ND2 3.11Å
84	R	86.2	Confident	74.2	Confident	32 Å²	32	66.5 Å²	66.5	12%	0.121	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-96.8	142.4	-178.2	-168.9	179.8	93.9	-167	12	111.3	A35 W37 D87	A35-R84 HydrophobicContact CB-CB 3.78Å; A35-R84 HydrophobicContact CB-CG 4.44Å; A35-R84 WeakPolarHBondContact O-CB 3.35Å; A35-R84 PolarHBondContact O-N 3.03Å; W37-R84 HydrophobicContact CD2-CG 4.46Å; W37-R84 HydrophobicContact CZ2-CG 3.75Å; R84-D87 IonicContact CZ-OD1 3.03Å; R84-D87 IonicContact NE-OD1 2.79Å; R84-D87 IonicContact NH2-OD1 3.99Å; R84-D87 PolarHBondContact NH2-OD1 2.98Å; R84-D87 IonicContact NH2-OD2 3.81Å; R84-D87 PolarHBondContact NH2-OD2 3.29Å
85	N	82.5	Confident	75.2	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-66.3	150	168.9	-75.1	-79.4	0	0	0	111.9	L89 S99 Y100 D105	N85-L89 HydrophobicContact CB-CB 4.41Å; N85-S99 WeakPolarHBondContact OD1-CA 3.41Å; N85-S99 WeakPolarHBondContact OD1-CB 3.28Å; N85-S99 PolarHBondContact OD1-N 3.17Å; N85-Y100 PolarHBondContact ND2-O 3.18Å; N85-Y100 PolarHBondContact OD1-N 3Å; N85-D105 WeakPolarHBondContact CB-OD1 3.42Å; N85-D105 PolarHBondContact N-OD1 3.33Å; N85-D105 WeakPolarHBondContact ND2-CB 3.4Å; N85-D105 PolarHBondContact ND2-OD1 3.01Å
86	P	76.4	Confident	76	Confident	39 Å²	39	61.5 Å²	61.5	25%	0.253	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-60.6	145.5	169.5	26	-34.1	0	0	0	110.9	L88 L89	P86-L88 PolarHBondContact O-N 3.37Å; P86-L89 HydrophobicContact CG-CD1 3.82Å; P86-L89 HydrophobicContact CG-CG 4.05Å; P86-L89 PolarHBondContact O-N 3.35Å
87	D	73.9	Confident	77	Confident	88 Å²	88	55 Å²	55	47%	0.471	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-60.2	-22.7	-171.5	-62.3	-19.6	0	0	0	113.5	R84 L89 L90	R84-D87 IonicContact CZ-OD1 3.03Å; R84-D87 IonicContact NE-OD1 2.79Å; R84-D87 IonicContact NH2-OD1 3.99Å; R84-D87 PolarHBondContact NH2-OD1 2.98Å; R84-D87 IonicContact NH2-OD2 3.81Å; R84-D87 PolarHBondContact NH2-OD2 3.29Å; D87-L89 PolarHBondContact O-N 3.25Å; D87-L90 HydrophobicContact CB-CD1 3.82Å; D87-L90 WeakPolarHBondContact O-CB 3.49Å; D87-L90 WeakPolarHBondContact O-CD1 3.44Å; D87-L90 VanDerWaalsContact O-CG 3.28Å; D87-L90 WeakPolarHBondContact O-CG 3.48Å; D87-L90 PolarHBondContact O-N 3.01Å
88	L	72.2	Confident	78.3	Confident	121 Å²	121	46.3 Å²	46.3	63%	0.634	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-60.9	-29.9	173.7	-175.8	68.6	0	0	0	113.3	P86 L90	P86-L88 PolarHBondContact O-N 3.37Å; L88-L90 VanDerWaalsContact C-N 3.32Å
89	L	73.6	Confident	79.5	Confident	34 Å²	34	42.9 Å²	42.9	18%	0.178	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-89.6	7.9	-178.9	-62.1	179.1	0	0	0	112.8	N85 P86 D87 V92 L98	N85-L89 HydrophobicContact CB-CB 4.41Å; P86-L89 HydrophobicContact CG-CD1 3.82Å; P86-L89 HydrophobicContact CG-CG 4.05Å; P86-L89 PolarHBondContact O-N 3.35Å; D87-L89 PolarHBondContact O-N 3.25Å; L89-V92 HydrophobicContact CB-CG2 4.09Å; L89-V92 HydrophobicContact CD2-CG2 4.15Å; L89-V92 WeakPolarHBondContact O-CG2 3.49Å; L89-L98 HydrophobicContact CB-CD2 4.37Å; L89-L98 VanDerWaalsContact O-CD2 3.27Å; L89-L98 WeakPolarHBondContact O-CD2 3.45Å
90	L	73.2	Confident	80.4	Confident	14 Å²	14	38.9 Å²	38.9	7%	0.073	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-19.2	-176	-65.1	173.9	0	0	0	114.6	D87 L88 F108 N112	D87-L90 HydrophobicContact CB-CD1 3.82Å; D87-L90 WeakPolarHBondContact O-CB 3.49Å; D87-L90 WeakPolarHBondContact O-CD1 3.44Å; D87-L90 VanDerWaalsContact O-CG 3.28Å; D87-L90 WeakPolarHBondContact O-CG 3.48Å; D87-L90 PolarHBondContact O-N 3.01Å; L88-L90 VanDerWaalsContact C-N 3.32Å; L90-F108 HydrophobicContact CD1-CD1 4.49Å; L90-F108 HydrophobicContact CD1-CE1 4.24Å; L90-F108 HydrophobicContact CD2-CD1 3.85Å; L90-F108 HydrophobicContact CD2-CE1 4.41Å; L90-N112 PolarHBondContact O-ND2 3.26Å
91	N	80.4	Confident	81	Confident	73 Å²	73	36.6 Å²	36.6	39%	0.39	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	41	176.9	-168	19	0	0	0	111.7	R113	N91-R113 WeakPolarHBondContact OD1-CG 3.38Å; N91-R113 PolarHBondContact OD1-NH1 2.99Å; N91-R113 VanDerWaalsContact OD1-NH1 3.1Å
92	V	83.3	Confident	81.3	Confident	25 Å²	25	36.6 Å²	36.6	15%	0.152	19%	0.194	C	C	.	.			trans	-77.3	136.4	178	178.2	0	0	0	0	109.3	L89 D94 A97 R113	L89-V92 HydrophobicContact CB-CG2 4.09Å; L89-V92 HydrophobicContact CD2-CG2 4.15Å; L89-V92 WeakPolarHBondContact O-CG2 3.49Å; V92-D94 VanDerWaalsContact C-N 3.34Å; V92-D94 WeakPolarHBondContact CG1-O 3.28Å; V92-A97 HydrophobicContact CG1-CB 3.64Å; V92-R113 WeakPolarHBondContact O-CD 3.44Å
93	Q	87.4	Confident	81.6	Confident	74 Å²	74	33.3 Å²	33.3	35%	0.346	18%	0.18	S	C	.	.	S	Bend	trans	-74.6	-24.6	-178.9	-66.1	-175.3	-1.1	0	0	113.4	Y122 D156 P157	Q93-Y122 PolarHBondContact O-N 3.3Å; Q93-D156 PolarHBondContact NE2-OD1 3.48Å; Q93-P157 HydrophobicContact CB-CG 3.76Å; Q93-P157 HydrophobicContact CG-CG 4.34Å; Q93-P157 WeakPolarHBondContact O-CG 3.39Å
94	D	88	Confident	82	Confident	32 Å²	32	32.8 Å²	32.8	17%	0.171	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-122.8	116.7	174.9	-166.4	-30.6	0	0	0	111.2	V92 T96 A97 Y122 C123 G124 R153	V92-D94 VanDerWaalsContact C-N 3.34Å; V92-D94 WeakPolarHBondContact CG1-O 3.28Å; D94-T96 PolarHBondContact O-N 3.08Å; D94-T96 WeakPolarHBondContact OD1-CB 3.38Å; D94-T96 PolarHBondContact OD1-N 3.49Å; D94-T96 PolarHBondContact OD1-OG1 3.38Å; D94-T96 PolarHBondContact OD2-OG1 3.36Å; D94-A97 WeakPolarHBondContact O-CB 3.47Å; D94-A97 PolarHBondContact O-N 3.26Å; D94-Y122 CarbonylContact C-O 3.57Å; D94-Y122 WeakPolarHBondContact CA-O 3.38Å; D94-C123 WeakPolarHBondContact OD1-CA 3.45Å; D94-G124 PolarHBondContact OD1-N 3.02Å; D94-G124 PolarHBondContact OD2-N 3.03Å; D94-R153 IonicContact OD2-NH1 3.93Å
95	L	88.5	Confident	82.2	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-58.1	-21.7	-178.9	-65.5	170.6	0	0	0	113.2	A97 L98 V106 A109 L110 T121 Y122 C123	L95-A97 PolarHBondContact O-N 3.42Å; L95-L98 HydrophobicContact CD2-CD1 4.08Å; L95-L98 WeakPolarHBondContact O-CB 3.45Å; L95-L98 VanDerWaalsContact O-CG 3.31Å; L95-L98 WeakPolarHBondContact O-CG 3.31Å; L95-L98 PolarHBondContact O-N 3.38Å; L95-V106 HydrophobicContact CD1-CG1 3.88Å; L95-V106 HydrophobicContact CD2-CG1 4.44Å; L95-A109 HydrophobicContact CD2-CB 3.74Å; L95-L110 HydrophobicContact CD1-CD1 4.39Å; L95-L110 HydrophobicContact CD1-CD2 4.25Å; L95-L110 HydrophobicContact CD1-CG 4.26Å; L95-T121 HydrophobicContact CD1-CG2 4.39Å; L95-T121 HydrophobicContact CD2-CG2 4.26Å; L95-T121 HydrophobicContact CG-CG2 3.92Å; L95-Y122 PolarHBondContact N-O 3.28Å; L95-C123 HydrophobicContact CB-CB 4.29Å; L95-C123 HydrophobicContact CD1-CB 4.11Å
96	T	80.7	Confident	82.6	Confident	22 Å²	22	31.3 Å²	31.3	14%	0.135	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-71.2	-17.8	175.8	61.2	0	0	0	0	113.9	D94 L98	D94-T96 PolarHBondContact O-N 3.08Å; D94-T96 WeakPolarHBondContact OD1-CB 3.38Å; D94-T96 PolarHBondContact OD1-N 3.49Å; D94-T96 PolarHBondContact OD1-OG1 3.38Å; D94-T96 PolarHBondContact OD2-OG1 3.36Å; T96-L98 VanDerWaalsContact C-N 3.29Å
97	A	80.5	Confident	83.4	Confident	47 Å²	47	29.7 Å²	29.7	39%	0.388	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-85.1	0.2	175.1	0	0	0	0	0	113.4	V92 D94 L95	V92-A97 HydrophobicContact CG1-CB 3.64Å; D94-A97 WeakPolarHBondContact O-CB 3.47Å; D94-A97 PolarHBondContact O-N 3.26Å; L95-A97 PolarHBondContact O-N 3.42Å
98	L	84	Confident	84.2	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.148	C	C	.	.			trans	-63.5	141.9	165.1	-64.6	173	0	0	0	109.8	L89 L95 T96 Y100 M101 D105 V106 A109	L89-L98 HydrophobicContact CB-CD2 4.37Å; L89-L98 VanDerWaalsContact O-CD2 3.27Å; L89-L98 WeakPolarHBondContact O-CD2 3.45Å; L95-L98 HydrophobicContact CD2-CD1 4.08Å; L95-L98 WeakPolarHBondContact O-CB 3.45Å; L95-L98 VanDerWaalsContact O-CG 3.31Å; L95-L98 WeakPolarHBondContact O-CG 3.31Å; L95-L98 PolarHBondContact O-N 3.38Å; T96-L98 VanDerWaalsContact C-N 3.29Å; L98-Y100 WeakPolarHBondContact CB-O 3.46Å; L98-M101 HydrophobicContact CB-CG 4.11Å; L98-D105 HydrophobicContact CD1-CB 4.38Å; L98-V106 HydrophobicContact CD1-CG2 4.14Å; L98-A109 HydrophobicContact CD1-CB 4.5Å
99	S	81.6	Confident	85.1	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-74.5	-52.8	178.3	179.1	0	0	0	0	110.5	N85 S770 G771 A774	N85-S99 WeakPolarHBondContact OD1-CA 3.41Å; N85-S99 WeakPolarHBondContact OD1-CB 3.28Å; N85-S99 PolarHBondContact OD1-N 3.17Å; S99-S770 PolarHBondContact O-OG 2.89Å; S99-G771 PolarHBondContact O-N 2.86Å; S99-G771 VanDerWaalsContact OG-C 3.3Å; S99-G771 VanDerWaalsContact OG-CA 3.29Å; S99-G771 WeakPolarHBondContact OG-CA 3.35Å; S99-G771 PolarHBondContact OG-O 3.4Å; S99-A774 WeakPolarHBondContact OG-CB 3.48Å; S99-A774 PolarHBondContact OG-N 2.7Å
100	Y	82.4	Confident	86	Confident	30 Å²	30	20.3 Å²	20.3	12%	0.118	11%	0.11	C	C	.	.	S	Bend	trans	-92.5	123.6	167.5	-53.2	-67.2	0	0	0	108.4	L83 N85 L98 N102 G771 A774	L83-Y100 HydrophobicContact CB-CD1 4.25Å; L83-Y100 HydrophobicContact CB-CD2 4.05Å; L83-Y100 HydrophobicContact CB-CE1 4.07Å; L83-Y100 HydrophobicContact CB-CE2 3.85Å; L83-Y100 HydrophobicContact CB-CG 4.24Å; L83-Y100 HydrophobicContact CD1-CE1 3.88Å; N85-Y100 PolarHBondContact ND2-O 3.18Å; N85-Y100 PolarHBondContact OD1-N 3Å; L98-Y100 WeakPolarHBondContact CB-O 3.46Å; Y100-N102 WeakPolarHBondContact CA-OD1 3.49Å; Y100-N102 WeakPolarHBondContact CB-OD1 3.41Å; Y100-N102 PolarHBondContact O-OD1 3.18Å; Y100-N102 VanDerWaalsContact O-OD1 3.07Å; Y100-G771 VanDerWaalsContact CE1-CA 3.41Å; Y100-A774 HydrophobicContact CD2-CB 4.31Å; Y100-A774 HydrophobicContact CE2-CB 3.58Å
101	M	82.5	Confident	87	Confident	15 Å²	15	21.9 Å²	21.9	7%	0.074	12%	0.116	C	C	.	.			trans	-112.7	68.3	-173.8	-94.4	-163.3	-61.1	0	0	110.1	L98 I707 A711 P715	L98-M101 HydrophobicContact CB-CG 4.11Å; M101-I707 HydrophobicContact CB-CG2 3.54Å; M101-I707 HydrophobicContact CG-CG2 3.97Å; M101-I707 WeakPolarHBondContact O-CG2 3.48Å; M101-I707 HydrophobicContact SD-CG2 3.96Å; M101-A711 HydrophobicContact CB-CB 4.16Å; M101-A711 HydrophobicContact CE-CB 3.54Å; M101-P715 HydrophobicContact CE-CB 3.08Å; M101-P715 HydrophobicContact CE-CG 3.28Å; M101-P715 HydrophobicContact SD-CB 4.17Å
102	N	84.9	Confident	87.5	Confident	19 Å²	19	20.2 Å²	20.2	10%	0.102	11%	0.107	C	C	.	.			trans	-122.3	154.5	-170.7	32.1	-17.2	0	0	0	108.7	F82 L83 Y100 D105 V106	F82-N102 WeakPolarHBondContact CB-ND2 3.36Å; F82-N102 HydrophobicContact CD1-CB 3.87Å; F82-N102 HydrophobicContact CE1-CB 4.27Å; F82-N102 HydrophobicContact CG-CB 4.22Å; L83-N102 PolarHBondContact O-ND2 3.11Å; Y100-N102 WeakPolarHBondContact CA-OD1 3.49Å; Y100-N102 WeakPolarHBondContact CB-OD1 3.41Å; Y100-N102 PolarHBondContact O-OD1 3.18Å; Y100-N102 VanDerWaalsContact O-OD1 3.07Å; N102-D105 PolarHBondContact ND2-OD2 3.18Å; N102-D105 PolarHBondContact O-N 3.31Å; N102-D105 PolarHBondContact OD1-OD2 3.48Å; N102-V106 WeakPolarHBondContact O-CG2 3.35Å; N102-V106 PolarHBondContact O-N 3.33Å; N102-V106 VanDerWaalsContact O-N 3.17Å
103	E	89.2	Confident	88	Confident	19 Å²	19	19.4 Å²	19.4	9%	0.089	10%	0.101	C	C	.	.	H	α-helix	trans	-49.6	-48.3	-174	-166.7	-177.6	102.6	0	0	115	W45 D105 V106 L107 I695 R699 M704	W45-E103 PolarHBondContact NE1-OE1 3.47Å; E103-D105 PolarHBondContact O-N 2.98Å; E103-V106 PolarHBondContact O-N 3.03Å; E103-L107 PolarHBondContact O-N 2.97Å; E103-I695 HydrophobicContact CG-CD1 4.23Å; E103-I695 HydrophobicContact CG-CG1 4.25Å; E103-I695 HydrophobicContact CG-CG2 4.48Å; E103-I695 WeakPolarHBondContact OE1-CG2 3.3Å; E103-R699 IonicContact OE1-CZ 2.9Å; E103-R699 IonicContact OE1-NE 2.86Å; E103-R699 IonicContact OE1-NH2 3.51Å; E103-R699 PolarHBondContact OE1-NH2 3.4Å; E103-R699 IonicContact OE2-CZ 2.64Å; E103-R699 VanDerWaalsContact OE2-CZ 3.26Å; E103-R699 IonicContact OE2-NE 3.99Å; E103-R699 PolarHBondContact OE2-NE 3.47Å; E103-R699 IonicContact OE2-NH2 2.81Å; E103-R699 PolarHBondContact OE2-NH2 3.26Å; E103-M704 VanDerWaalsContact CA-CE 3.43Å; E103-M704 HydrophobicContact CB-CE 3.63Å; E103-M704 HydrophobicContact CB-SD 4.27Å; E103-M704 HydrophobicContact CG-CE 4.01Å; E103-M704 HydrophobicContact CG-SD 4.02Å
104	P	90.5	Very high	88.3	Confident	2 Å²	2	16 Å²	16	1%	0.013	9%	0.085	C	C	.	.	H	α-helix	trans	-63.8	-41.1	-179.4	23.2	-35.4	0	0	0	113.6	W37 W45 F82 V106 L107 F108	W37-P104 HydrophobicContact CB-CB 4.05Å; W37-P104 HydrophobicContact CB-CG 3.9Å; W37-P104 VanDerWaalsContact CD1-CG 3.4Å; W37-P104 HydrophobicContact CD2-CB 3.53Å; W37-P104 HydrophobicContact CD2-CG 4.08Å; W37-P104 HydrophobicContact CE3-CB 4.04Å; W37-P104 HydrophobicContact CG-CB 3.53Å; W37-P104 HydrophobicContact CG-CG 3.53Å; W37-P104 HydrophobicContact CZ2-CB 4.42Å; W45-P104 HydrophobicContact CB-CB 3.9Å; W45-P104 HydrophobicContact CD2-CB 3.87Å; W45-P104 HydrophobicContact CD2-CG 4.28Å; W45-P104 HydrophobicContact CE3-CB 4.44Å; W45-P104 HydrophobicContact CG-CB 3.6Å; W45-P104 HydrophobicContact CG-CG 4.5Å; F82-P104 HydrophobicContact CB-CG 4.02Å; F82-P104 HydrophobicContact CD2-CG 3.98Å; F82-P104 HydrophobicContact CG-CG 4.22Å; P104-V106 VanDerWaalsContact C-N 3.32Å; P104-V106 PolarHBondContact O-N 2.72Å; P104-L107 PolarHBondContact O-N 3.45Å; P104-F108 WeakPolarHBondContact O-CB 3.38Å; P104-F108 PolarHBondContact O-N 3.06Å
105	D	89.7	Confident	88.4	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-65.7	-37.6	-179.8	-74	-81.7	0	0	0	111.8	W37 N85 L98 N102 E103 F108 A109	W37-D105 PolarHBondContact NE1-OD1 3.43Å; W37-D105 PolarHBondContact NE1-OD2 3.36Å; N85-D105 WeakPolarHBondContact CB-OD1 3.42Å; N85-D105 PolarHBondContact N-OD1 3.33Å; N85-D105 WeakPolarHBondContact ND2-CB 3.4Å; N85-D105 PolarHBondContact ND2-OD1 3.01Å; L98-D105 HydrophobicContact CD1-CB 4.38Å; N102-D105 PolarHBondContact ND2-OD2 3.18Å; N102-D105 PolarHBondContact O-N 3.31Å; N102-D105 PolarHBondContact OD1-OD2 3.48Å; E103-D105 PolarHBondContact O-N 2.98Å; D105-F108 PolarHBondContact O-N 3.03Å; D105-A109 VanDerWaalsContact O-CB 3.24Å; D105-A109 WeakPolarHBondContact O-CB 3.47Å; D105-A109 PolarHBondContact O-N 3.19Å
106	V	91.3	Very high	88.5	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.2	-46.7	176.5	171.4	0	0	0	0	110.9	L95 L98 N102 E103 P104 F108 A109 L110 L698 M704 I707	L95-V106 HydrophobicContact CD1-CG1 3.88Å; L95-V106 HydrophobicContact CD2-CG1 4.44Å; L98-V106 HydrophobicContact CD1-CG2 4.14Å; N102-V106 WeakPolarHBondContact O-CG2 3.35Å; N102-V106 PolarHBondContact O-N 3.33Å; N102-V106 VanDerWaalsContact O-N 3.17Å; E103-V106 PolarHBondContact O-N 3.03Å; P104-V106 VanDerWaalsContact C-N 3.32Å; P104-V106 PolarHBondContact O-N 2.72Å; V106-F108 VanDerWaalsContact C-N 3.32Å; V106-F108 PolarHBondContact O-N 3.15Å; V106-A109 PolarHBondContact O-N 3.42Å; V106-L110 HydrophobicContact CG1-CD1 4.29Å; V106-L110 WeakPolarHBondContact O-CG 3.39Å; V106-L110 PolarHBondContact O-N 3.19Å; V106-L698 HydrophobicContact CG1-CD1 4.3Å; V106-M704 HydrophobicContact CG1-SD 4.37Å; V106-I707 HydrophobicContact CB-CD1 4.23Å; V106-I707 HydrophobicContact CG1-CD1 3.74Å; V106-I707 HydrophobicContact CG2-CD1 3.52Å; V106-I707 HydrophobicContact CG2-CG2 4.47Å
107	L	93.1	Very high	88.9	Confident	6 Å²	6	25.2 Å²	25.2	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-57.6	-48.4	175	177.1	66	0	0	0	110.6	E103 P104 L110 K111 F689 N691 V694 I695	E103-L107 PolarHBondContact O-N 2.97Å; P104-L107 PolarHBondContact O-N 3.45Å; L107-L110 PolarHBondContact O-N 3.01Å; L107-K111 WeakPolarHBondContact O-CB 3.29Å; L107-K111 PolarHBondContact O-N 3.18Å; L107-F689 HydrophobicContact CD1-CE1 3.59Å; L107-F689 HydrophobicContact CD1-CZ 3.81Å; L107-F689 HydrophobicContact CG-CE1 4.42Å; L107-N691 HydrophobicContact CD2-CB 3.69Å; L107-V694 HydrophobicContact CD1-CB 3.93Å; L107-V694 HydrophobicContact CD1-CG1 3.71Å; L107-I695 HydrophobicContact CB-CD1 4.16Å; L107-I695 HydrophobicContact CB-CG1 4.1Å; L107-I695 HydrophobicContact CD1-CD1 4.44Å; L107-I695 HydrophobicContact CD1-CG1 3.91Å; L107-I695 HydrophobicContact CD2-CD1 3.31Å; L107-I695 HydrophobicContact CD2-CG1 3.74Å; L107-I695 HydrophobicContact CG-CD1 4.12Å; L107-I695 HydrophobicContact CG-CG1 4.09Å
108	F	91	Very high	89.4	Confident	43 Å²	43	26.6 Å²	26.6	19%	0.189	14%	0.137	C	C	.	.	H	α-helix	trans	-69.3	-39	-175.7	-162.7	-78.1	0	0	0	112	W37 L90 P104 D105 V106 L110 K111 N112	W37-F108 HydrophobicContact CH2-CB 3.78Å; W37-F108 AromaticContact CH2-CD2 3.72Å; W37-F108 HydrophobicContact CH2-CD2 3.72Å; W37-F108 AromaticContact CH2-CG 3.8Å; W37-F108 HydrophobicContact CH2-CG 3.8Å; W37-F108 HydrophobicContact CZ2-CB 4.1Å; W37-F108 HydrophobicContact CZ2-CG 4.43Å; W37-F108 HydrophobicContact CZ3-CD2 4.36Å; L90-F108 HydrophobicContact CD1-CD1 4.49Å; L90-F108 HydrophobicContact CD1-CE1 4.24Å; L90-F108 HydrophobicContact CD2-CD1 3.85Å; L90-F108 HydrophobicContact CD2-CE1 4.41Å; P104-F108 WeakPolarHBondContact O-CB 3.38Å; P104-F108 PolarHBondContact O-N 3.06Å; D105-F108 PolarHBondContact O-N 3.03Å; V106-F108 VanDerWaalsContact C-N 3.32Å; V106-F108 PolarHBondContact O-N 3.15Å; F108-L110 VanDerWaalsContact C-N 3.35Å; F108-K111 PolarHBondContact O-N 3.15Å; F108-N112 HydrophobicContact CD1-CB 4.41Å; F108-N112 HydrophobicContact CE1-CB 4.14Å; F108-N112 VanDerWaalsContact O-CB 3.28Å; F108-N112 WeakPolarHBondContact O-CB 3.4Å; F108-N112 PolarHBondContact O-N 3.04Å
109	A	91.1	Very high	89.9	Confident	1 Å²	1	27 Å²	27	1%	0.008	14%	0.139	C	C	.	.	H	α-helix	trans	-60.7	-44.6	174.1	0	0	0	0	0	111.3	L95 L98 D105 V106 R113	L95-A109 HydrophobicContact CD2-CB 3.74Å; L98-A109 HydrophobicContact CD1-CB 4.5Å; D105-A109 VanDerWaalsContact O-CB 3.24Å; D105-A109 WeakPolarHBondContact O-CB 3.47Å; D105-A109 PolarHBondContact O-N 3.19Å; V106-A109 PolarHBondContact O-N 3.42Å; A109-R113 WeakPolarHBondContact O-CB 3.42Å; A109-R113 VanDerWaalsContact O-CG 3.3Å; A109-R113 WeakPolarHBondContact O-CG 3.43Å; A109-R113 PolarHBondContact O-N 3.44Å
110	L	93.4	Very high	90.6	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-64.4	-43.2	175.3	-73.7	173.4	0	0	0	112.3	L95 V106 L107 F108 R113 F114 T121 V128 F689 L698	L95-L110 HydrophobicContact CD1-CD1 4.39Å; L95-L110 HydrophobicContact CD1-CD2 4.25Å; L95-L110 HydrophobicContact CD1-CG 4.26Å; V106-L110 HydrophobicContact CG1-CD1 4.29Å; V106-L110 WeakPolarHBondContact O-CG 3.39Å; V106-L110 PolarHBondContact O-N 3.19Å; L107-L110 PolarHBondContact O-N 3.01Å; F108-L110 VanDerWaalsContact C-N 3.35Å; L110-R113 PolarHBondContact O-N 2.74Å; L110-F114 VanDerWaalsContact O-CB 3.27Å; L110-F114 WeakPolarHBondContact O-CB 3.38Å; L110-F114 PolarHBondContact O-N 2.99Å; L110-T121 HydrophobicContact CD2-CG2 4.07Å; L110-V128 HydrophobicContact CD1-CG1 4.26Å; L110-V128 HydrophobicContact CD2-CB 4.41Å; L110-V128 HydrophobicContact CD2-CG1 4.01Å; L110-F689 HydrophobicContact CB-CZ 4.46Å; L110-L698 HydrophobicContact CD1-CD1 3.98Å; L110-L698 HydrophobicContact CD1-CD2 3.73Å; L110-L698 HydrophobicContact CD1-CG 4.42Å
111	K	93.1	Very high	91.2	Very high	47 Å²	47	25.9 Å²	25.9	20%	0.204	13%	0.134	C	C	.	.	H	α-helix	trans	-58.8	-52.1	176.5	-179.2	175.4	176.8	173	0	111.3	L107 F108 R113 F114 E115 F689	L107-K111 WeakPolarHBondContact O-CB 3.29Å; L107-K111 PolarHBondContact O-N 3.18Å; F108-K111 PolarHBondContact O-N 3.15Å; K111-R113 VanDerWaalsContact C-N 3.33Å; K111-R113 PolarHBondContact O-N 3.19Å; K111-F114 PolarHBondContact O-N 3.34Å; K111-F114 VanDerWaalsContact O-N 3.16Å; K111-E115 WeakPolarHBondContact CE-OE1 3.33Å; K111-E115 HydrophobicContact CG-CG 4.45Å; K111-E115 WeakPolarHBondContact CG-OE1 3.33Å; K111-E115 IonicContact NZ-OE1 3.87Å; K111-E115 WeakPolarHBondContact O-CG 3.45Å; K111-E115 PolarHBondContact O-N 3.38Å; K111-F689 HydrophobicContact CB-CD1 3.91Å; K111-F689 HydrophobicContact CB-CE1 3.64Å; K111-F689 HydrophobicContact CB-CE2 4.43Å; K111-F689 HydrophobicContact CB-CG 4.4Å; K111-F689 HydrophobicContact CB-CZ 3.9Å; K111-F689 HydrophobicContact CD-CD1 4.02Å; K111-F689 HydrophobicContact CD-CE1 4.33Å; K111-F689 HydrophobicContact CG-CD1 3.77Å; K111-F689 HydrophobicContact CG-CE1 4.04Å; K111-F689 HydrophobicContact CG-CG 4.15Å
112	N	91.6	Very high	91.7	Very high	38 Å²	38	25.7 Å²	25.7	20%	0.203	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-43.1	180	-176.4	40.9	0	0	0	111.5	L90 F108 E115 L116	L90-N112 PolarHBondContact O-ND2 3.26Å; F108-N112 HydrophobicContact CD1-CB 4.41Å; F108-N112 HydrophobicContact CE1-CB 4.14Å; F108-N112 VanDerWaalsContact O-CB 3.28Å; F108-N112 WeakPolarHBondContact O-CB 3.4Å; F108-N112 PolarHBondContact O-N 3.04Å; N112-E115 PolarHBondContact O-N 3.34Å; N112-L116 VanDerWaalsContact O-CG 3.25Å; N112-L116 WeakPolarHBondContact O-CG 3.4Å; N112-L116 PolarHBondContact O-N 3.34Å; N112-L116 VanDerWaalsContact O-N 3.09Å
113	R	93.1	Very high	92	Very high	7 Å²	7	24.8 Å²	24.8	3%	0.026	13%	0.128	C	C	.	.	H	α-helix	trans	-63.8	-43.1	175.2	-74.7	-177.7	65.2	73.3	0.3	112.4	N91 V92 A109 L110 K111 L116 G117 H118 Y120 T121	N91-R113 WeakPolarHBondContact OD1-CG 3.38Å; N91-R113 PolarHBondContact OD1-NH1 2.99Å; N91-R113 VanDerWaalsContact OD1-NH1 3.1Å; V92-R113 WeakPolarHBondContact O-CD 3.44Å; A109-R113 WeakPolarHBondContact O-CB 3.42Å; A109-R113 VanDerWaalsContact O-CG 3.3Å; A109-R113 WeakPolarHBondContact O-CG 3.43Å; A109-R113 PolarHBondContact O-N 3.44Å; L110-R113 PolarHBondContact O-N 2.74Å; K111-R113 VanDerWaalsContact C-N 3.33Å; K111-R113 PolarHBondContact O-N 3.19Å; R113-L116 CarbonylContact O-C 3.57Å; R113-L116 PolarHBondContact O-N 3.03Å; R113-G117 PolarHBondContact O-N 3.44Å; R113-H118 CarbonylContact C-O 3.52Å; R113-H118 HydrophobicContact CB-CB 4.18Å; R113-H118 WeakPolarHBondContact O-CA 3.45Å; R113-H118 WeakPolarHBondContact O-CB 3.5Å; R113-H118 PolarHBondContact O-N 3.3Å; R113-Y120 PolarHBondContact NH2-O 3.29Å; R113-T121 WeakPolarHBondContact CD-OG1 3.3Å; R113-T121 PolarHBondContact NE-OG1 3.25Å
114	F	93.3	Very high	91.7	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.009	13%	0.133	C	C	.	.	H	α-helix	trans	-63.9	-42.5	178.6	-176.6	-103.1	0	0	0	112.2	L110 K111 L116 G117 V130 P132 P680 L687 F689	L110-F114 VanDerWaalsContact O-CB 3.27Å; L110-F114 WeakPolarHBondContact O-CB 3.38Å; L110-F114 PolarHBondContact O-N 2.99Å; K111-F114 PolarHBondContact O-N 3.34Å; K111-F114 VanDerWaalsContact O-N 3.16Å; F114-L116 VanDerWaalsContact C-N 3.26Å; F114-L116 PolarHBondContact O-N 3.44Å; F114-G117 WeakPolarHBondContact O-CA 3.39Å; F114-G117 PolarHBondContact O-N 3.47Å; F114-V130 HydrophobicContact CD2-CB 3.83Å; F114-V130 HydrophobicContact CD2-CG1 3.48Å; F114-V130 VanDerWaalsContact CD2-CG1 3.48Å; F114-V130 HydrophobicContact CE2-CB 4.19Å; F114-V130 HydrophobicContact CE2-CG1 3.58Å; F114-V130 HydrophobicContact CG-CG1 4.21Å; F114-V130 HydrophobicContact CZ-CG1 4.36Å; F114-P132 HydrophobicContact CE2-CB 4.21Å; F114-P680 HydrophobicContact CE1-CB 4.16Å; F114-P680 HydrophobicContact CE2-CB 4.4Å; F114-P680 HydrophobicContact CE2-CG 4.44Å; F114-P680 HydrophobicContact CZ-CB 3.89Å; F114-P680 HydrophobicContact CZ-CG 3.92Å; F114-L687 HydrophobicContact CZ-CD2 4.46Å; F114-F689 HydrophobicContact CB-CD2 4.1Å; F114-F689 HydrophobicContact CB-CE2 4.37Å; F114-F689 HydrophobicContact CD1-CB 3.95Å; F114-F689 AromaticContact CD1-CD2 3.66Å; F114-F689 HydrophobicContact CD1-CD2 3.66Å; F114-F689 HydrophobicContact CD1-CG 4.27Å; F114-F689 HydrophobicContact CE1-CB 4.16Å; F114-F689 HydrophobicContact CE1-CD2 4.24Å; F114-F689 AromaticContact CG-CD2 3.94Å; F114-F689 HydrophobicContact CG-CD2 3.94Å
115	E	90.7	Very high	91.4	Very high	114 Å²	114	26 Å²	26	53%	0.533	14%	0.139	S	C	.	.	H	α-helix	trans	-64.4	-30.3	175.1	-72.4	173.5	174.9	0	0	112.5	K111 N112 G117	K111-E115 WeakPolarHBondContact CE-OE1 3.33Å; K111-E115 HydrophobicContact CG-CG 4.45Å; K111-E115 WeakPolarHBondContact CG-OE1 3.33Å; K111-E115 IonicContact NZ-OE1 3.87Å; K111-E115 WeakPolarHBondContact O-CG 3.45Å; K111-E115 PolarHBondContact O-N 3.38Å; N112-E115 PolarHBondContact O-N 3.34Å; E115-G117 PolarHBondContact O-N 3.37Å
116	L	90.1	Very high	91.5	Very high	99 Å²	99	26 Å²	26	52%	0.518	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	1.2	171.3	-66.6	172.9	0	0	0	113.7	N112 R113 F114	N112-L116 VanDerWaalsContact O-CG 3.25Å; N112-L116 WeakPolarHBondContact O-CG 3.4Å; N112-L116 PolarHBondContact O-N 3.34Å; N112-L116 VanDerWaalsContact O-N 3.09Å; R113-L116 CarbonylContact O-C 3.57Å; R113-L116 PolarHBondContact O-N 3.03Å; F114-L116 VanDerWaalsContact C-N 3.26Å; F114-L116 PolarHBondContact O-N 3.44Å
117	G	89.1	Confident	91.8	Very high	37 Å²	37	26.1 Å²	26.1	38%	0.381	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	6.6	180	0	0	0	0	0	115.1	R113 F114 E115 I119	R113-G117 PolarHBondContact O-N 3.44Å; F114-G117 WeakPolarHBondContact O-CA 3.39Å; F114-G117 PolarHBondContact O-N 3.47Å; E115-G117 PolarHBondContact O-N 3.37Å; G117-I119 PolarHBondContact O-N 3.45Å
118	H	92.3	Very high	91.9	Very high	76 Å²	76	25.8 Å²	25.8	35%	0.352	14%	0.138	S	C	.	.			trans	-89.4	100.7	176.5	-61.2	-58.6	0	0	0	111.3	R113	R113-H118 CarbonylContact C-O 3.52Å; R113-H118 HydrophobicContact CB-CB 4.18Å; R113-H118 WeakPolarHBondContact O-CA 3.45Å; R113-H118 WeakPolarHBondContact O-CB 3.5Å; R113-H118 PolarHBondContact O-N 3.3Å
119	I	94.2	Very high	92.2	Very high	9 Å²	9	24 Å²	24	5%	0.046	13%	0.132	C	C	.	.			trans	-80.3	-20.6	-177.6	65.5	171.9	0	0	0	114.1	G117 A129 V130 P132 L138	G117-I119 PolarHBondContact O-N 3.45Å; I119-A129 CarbonylContact O-C 3.57Å; I119-A129 WeakPolarHBondContact O-CA 3.38Å; I119-V130 WeakPolarHBondContact CB-O 3.36Å; I119-V130 PolarHBondContact O-N 3.01Å; I119-P132 HydrophobicContact CG2-CB 3.86Å; I119-P132 HydrophobicContact CG2-CG 3.88Å; I119-L138 HydrophobicContact CD1-CD1 3.67Å; I119-L138 HydrophobicContact CG1-CD1 3.72Å
120	Y	96.7	Very high	92.4	Very high	6 Å²	6	24.2 Å²	24.2	2%	0.024	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134.6	-176.9	-69.7	-62.3	0	0	0	111.2	R113 L127 V128 A129 Y139 P157 H158 I159	R113-Y120 PolarHBondContact NH2-O 3.29Å; Y120-L127 HydrophobicContact CD1-CD1 4.33Å; Y120-L127 HydrophobicContact CD1-CD2 3.76Å; Y120-L127 HydrophobicContact CD1-CG 4.08Å; Y120-L127 HydrophobicContact CE1-CD2 4.15Å; Y120-V128 WeakPolarHBondContact CA-O 3.25Å; Y120-A129 HydrophobicContact CD1-CB 3.73Å; Y120-A129 HydrophobicContact CE1-CB 3.53Å; Y120-Y139 HydrophobicContact CE2-CE1 4.33Å; Y120-Y139 PolarHBondContact OH-OH 2.98Å; Y120-P157 WeakPolarHBondContact CB-O 3.44Å; Y120-H158 AromaticContact CD2-CD2 3.62Å; Y120-H158 AromaticContact CE2-CD2 3.76Å; Y120-H158 AromaticContact CE2-NE2 3.72Å; Y120-I159 HydrophobicContact CE1-CB 3.97Å; Y120-I159 HydrophobicContact CE2-CB 4.47Å; Y120-I159 HydrophobicContact CE2-CG2 4.42Å
121	T	95.3	Very high	92.5	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	135.4	178.2	-52.6	0	0	0	0	109.9	L95 L110 R113 V128	L95-T121 HydrophobicContact CD1-CG2 4.39Å; L95-T121 HydrophobicContact CD2-CG2 4.26Å; L95-T121 HydrophobicContact CG-CG2 3.92Å; L110-T121 HydrophobicContact CD2-CG2 4.07Å; R113-T121 WeakPolarHBondContact CD-OG1 3.3Å; R113-T121 PolarHBondContact NE-OG1 3.25Å; T121-V128 PolarHBondContact N-O 3.27Å; T121-V128 PolarHBondContact O-N 3.36Å
122	Y	93	Very high	92.4	Very high	11 Å²	11	24 Å²	24	4%	0.043	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	152	173.4	-67	-56.7	0	0	0	111.6	Q93 D94 L95 V126 L127 P157 A161	Q93-Y122 PolarHBondContact O-N 3.3Å; D94-Y122 CarbonylContact C-O 3.57Å; D94-Y122 WeakPolarHBondContact CA-O 3.38Å; L95-Y122 PolarHBondContact N-O 3.28Å; Y122-V126 CarbonylContact C-O 3.58Å; Y122-L127 HydrophobicContact CD1-CD1 3.74Å; Y122-L127 HydrophobicContact CE1-CD1 3.73Å; Y122-P157 HydrophobicContact CD1-CB 4.36Å; Y122-P157 HydrophobicContact CD2-CB 3.67Å; Y122-P157 HydrophobicContact CD2-CG 3.53Å; Y122-P157 HydrophobicContact CE1-CB 4.32Å; Y122-P157 VanDerWaalsContact CE2-CA 3.41Å; Y122-P157 HydrophobicContact CE2-CB 3.6Å; Y122-P157 HydrophobicContact CE2-CG 3.71Å; Y122-P157 HydrophobicContact CG-CB 4.05Å; Y122-P157 HydrophobicContact CG-CG 4.21Å; Y122-A161 WeakPolarHBondContact OH-CB 3.29Å
123	C	89.8	Confident	92.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	77.8	166.6	-175.1	0	0	0	0	106.5	D94 L95 I125 V126 V128 I707	D94-C123 WeakPolarHBondContact OD1-CA 3.45Å; L95-C123 HydrophobicContact CB-CB 4.29Å; L95-C123 HydrophobicContact CD1-CB 4.11Å; C123-I125 PolarHBondContact O-N 3.16Å; C123-I125 VanDerWaalsContact O-N 3.08Å; C123-V126 HydrophobicContact CB-CB 4.25Å; C123-V126 PolarHBondContact N-O 3.22Å; C123-V126 WeakPolarHBondContact O-CB 3.43Å; C123-V126 PolarHBondContact O-N 3.47Å; C123-V128 HydrophobicContact CB-CG2 4.3Å; C123-I707 WeakPolarHBondContact SG-CG1 3.21Å
124	G	83.6	Confident	92.1	Very high	19 Å²	19	27.4 Å²	27.4	20%	0.196	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	-110.1	-173.2	0	0	0	0	0	111.9	D94 V126 R153	D94-G124 PolarHBondContact OD1-N 3.02Å; D94-G124 PolarHBondContact OD2-N 3.03Å; G124-V126 VanDerWaalsContact C-N 3.34Å; G124-R153 PolarHBondContact O-NH1 3.08Å; G124-R153 PolarHBondContact O-NH2 3.22Å
125	I	84.2	Confident	91.6	Very high	27 Å²	27	36.7 Å²	36.7	14%	0.138	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-8	177.8	71.3	166.5	0	0	0	113.7	C123 F499 V503 R506 Y674	C123-I125 PolarHBondContact O-N 3.16Å; C123-I125 VanDerWaalsContact O-N 3.08Å; I125-F499 HydrophobicContact CD1-CD2 4.48Å; I125-F499 HydrophobicContact CD1-CE2 3.89Å; I125-F499 HydrophobicContact CG1-CE2 4.01Å; I125-F499 HydrophobicContact CG1-CZ 4.45Å; I125-V503 HydrophobicContact CD1-CG2 3.44Å; I125-V503 VanDerWaalsContact CD1-CG2 3.44Å; I125-V503 HydrophobicContact CG1-CG2 3.99Å; I125-R506 VanDerWaalsContact CG2-NH1 3.3Å; I125-Y674 HydrophobicContact CD1-CD2 3.82Å; I125-Y674 HydrophobicContact CD1-CE2 3.93Å; I125-Y674 HydrophobicContact CG1-CD2 4.29Å
126	V	92	Very high	91.3	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	137.4	-177.9	-177	0	0	0	0	109.5	Y122 C123 G124 V128 F499 Y674 R676 T706	Y122-V126 CarbonylContact C-O 3.58Å; C123-V126 HydrophobicContact CB-CB 4.25Å; C123-V126 PolarHBondContact N-O 3.22Å; C123-V126 WeakPolarHBondContact O-CB 3.43Å; C123-V126 PolarHBondContact O-N 3.47Å; G124-V126 VanDerWaalsContact C-N 3.34Å; V126-V128 HydrophobicContact CG1-CG2 4.41Å; V126-F499 HydrophobicContact CG2-CE2 3.45Å; V126-F499 VanDerWaalsContact CG2-CE2 3.45Å; V126-F499 HydrophobicContact CG2-CZ 3.6Å; V126-Y674 CarbonylContact C-O 3.58Å; V126-Y674 WeakPolarHBondContact CA-O 3.21Å; V126-R676 HydrophobicContact CG1-CB 4.14Å; V126-R676 HydrophobicContact CG1-CG 3.63Å; V126-T706 HydrophobicContact CG2-CG2 4.15Å
127	L	95.9	Very high	91.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117.4	164.3	-176.8	71.9	0	0	0	109	Y120 Y122 P157 I159 V162 Y674 V675 R676	Y120-L127 HydrophobicContact CD1-CD1 4.33Å; Y120-L127 HydrophobicContact CD1-CD2 3.76Å; Y120-L127 HydrophobicContact CD1-CG 4.08Å; Y120-L127 HydrophobicContact CE1-CD2 4.15Å; Y122-L127 HydrophobicContact CD1-CD1 3.74Å; Y122-L127 HydrophobicContact CE1-CD1 3.73Å; L127-P157 HydrophobicContact CD1-CB 4.06Å; L127-I159 HydrophobicContact CD2-CB 4.33Å; L127-I159 HydrophobicContact CD2-CD1 3.96Å; L127-V162 HydrophobicContact CB-CG2 3.76Å; L127-V162 HydrophobicContact CD2-CG2 3.72Å; L127-V162 HydrophobicContact CG-CG2 4.28Å; L127-Y674 PolarHBondContact N-O 3.48Å; L127-V675 HydrophobicContact CB-CG2 4.44Å; L127-V675 CarbonylContact O-C 3.49Å; L127-V675 WeakPolarHBondContact O-CA 3.38Å; L127-R676 PolarHBondContact O-N 3.37Å
128	V	96.6	Very high	91	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124.4	172.3	-178.1	0	0	0	0	108.5	L110 Y120 T121 C123 V126 V130 R676 I678 V703	L110-V128 HydrophobicContact CD1-CG1 4.26Å; L110-V128 HydrophobicContact CD2-CB 4.41Å; L110-V128 HydrophobicContact CD2-CG1 4.01Å; Y120-V128 WeakPolarHBondContact CA-O 3.25Å; T121-V128 PolarHBondContact N-O 3.27Å; T121-V128 PolarHBondContact O-N 3.36Å; C123-V128 HydrophobicContact CB-CG2 4.3Å; V126-V128 HydrophobicContact CG1-CG2 4.41Å; V128-V130 HydrophobicContact CG1-CG2 4.42Å; V128-R676 WeakPolarHBondContact CA-O 3.33Å; V128-I678 HydrophobicContact CG1-CD1 3.46Å; V128-I678 VanDerWaalsContact CG1-CD1 3.46Å; V128-I678 HydrophobicContact CG1-CG1 4.15Å; V128-V703 HydrophobicContact CG2-CG1 4.17Å; V128-V703 HydrophobicContact CG2-CG2 4.26Å
129	A	96.7	Very high	90.8	Very high	6 Å²	6	33.5 Å²	33.5	5%	0.05	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115	179.3	0	0	0	0	0	109.7	I119 Y120 V675 R676 C677 I678	I119-A129 CarbonylContact O-C 3.57Å; I119-A129 WeakPolarHBondContact O-CA 3.38Å; Y120-A129 HydrophobicContact CD1-CB 3.73Å; Y120-A129 HydrophobicContact CE1-CB 3.53Å; A129-V675 HydrophobicContact CB-CG1 4.46Å; A129-R676 PolarHBondContact N-O 3.23Å; A129-C677 CarbonylContact O-C 3.57Å; A129-C677 VanDerWaalsContact O-CA 3.3Å; A129-C677 WeakPolarHBondContact O-CA 3.09Å; A129-I678 PolarHBondContact O-N 3.45Å
130	V	96.3	Very high	90.4	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.024	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	119.4	179.2	-172.8	0	0	0	0	109.3	F114 I119 V128 P132 I678 P680 F689	F114-V130 HydrophobicContact CD2-CB 3.83Å; F114-V130 HydrophobicContact CD2-CG1 3.48Å; F114-V130 VanDerWaalsContact CD2-CG1 3.48Å; F114-V130 HydrophobicContact CE2-CB 4.19Å; F114-V130 HydrophobicContact CE2-CG1 3.58Å; F114-V130 HydrophobicContact CG-CG1 4.21Å; F114-V130 HydrophobicContact CZ-CG1 4.36Å; I119-V130 WeakPolarHBondContact CB-O 3.36Å; I119-V130 PolarHBondContact O-N 3.01Å; V128-V130 HydrophobicContact CG1-CG2 4.42Å; V130-P132 VanDerWaalsContact O-CD 3.31Å; V130-P132 WeakPolarHBondContact O-CD 3.28Å; V130-I678 HydrophobicContact CG2-CB 4.45Å; V130-P680 HydrophobicContact CG1-CB 3.83Å; V130-P680 HydrophobicContact CG1-CG 4.33Å; V130-F689 HydrophobicContact CG1-CE2 4.47Å
131	N	93.8	Very high	89.8	Confident	35 Å²	35	40.2 Å²	40.2	19%	0.187	21%	0.206	C	C	.	.			trans	-68.4	117.1	-176	-176.4	-3.5	0	0	0	111.6	Y133 G186 A187 I678 P680	N131-Y133 VanDerWaalsContact C-N 3.28Å; N131-Y133 WeakPolarHBondContact ND2-CE1 3.49Å; N131-Y133 PolarHBondContact O-N 3.14Å; N131-Y133 PolarHBondContact OD1-N 3.18Å; N131-G186 PolarHBondContact ND2-O 3.27Å; N131-A187 WeakPolarHBondContact CB-O 3.43Å; N131-I678 PolarHBondContact N-O 3.34Å; N131-P680 WeakPolarHBondContact O-CD 3.44Å; N131-P680 WeakPolarHBondContact O-CG 3.36Å
132	P	92.9	Very high	89.4	Confident	9 Å²	9	47.8 Å²	47.8	6%	0.058	24%	0.242	C	C	.	.			trans	-77.9	-9.1	-177.6	34.3	-37.7	0	0	0	114.4	F114 I119 V130 Q134 V136 L687	F114-P132 HydrophobicContact CE2-CB 4.21Å; I119-P132 HydrophobicContact CG2-CB 3.86Å; I119-P132 HydrophobicContact CG2-CG 3.88Å; V130-P132 VanDerWaalsContact O-CD 3.31Å; V130-P132 WeakPolarHBondContact O-CD 3.28Å; P132-Q134 HydrophobicContact CB-CG 4.08Å; P132-Q134 HydrophobicContact CG-CG 4.4Å; P132-Q134 PolarHBondContact O-N 3.27Å; P132-V136 HydrophobicContact CB-CG2 4.24Å; P132-V136 HydrophobicContact CG-CG2 3.47Å; P132-V136 VanDerWaalsContact CG-CG2 3.47Å; P132-L687 HydrophobicContact CB-CD2 4.41Å; P132-L687 PolarHBondContact O-N 2.93Å
133	Y	89.2	Confident	89.1	Confident	40 Å²	40	49.4 Å²	49.4	16%	0.157	25%	0.251	C	S	.	.	S	Bend	trans	57.7	23.1	-173.4	-67.5	-61.7	0	0	0	115.5	N131 K679 P680 N681 K684 Q686	N131-Y133 VanDerWaalsContact C-N 3.28Å; N131-Y133 WeakPolarHBondContact ND2-CE1 3.49Å; N131-Y133 PolarHBondContact O-N 3.14Å; N131-Y133 PolarHBondContact OD1-N 3.18Å; Y133-K679 WeakPolarHBondContact OH-CD 3.42Å; Y133-K679 WeakPolarHBondContact OH-CE 2.88Å; Y133-K679 WeakPolarHBondContact OH-CG 3.33Å; Y133-P680 HydrophobicContact CD2-CG 3.92Å; Y133-P680 HydrophobicContact CE2-CG 3.77Å; Y133-N681 PolarHBondContact OH-O 3.26Å; Y133-K684 HydrophobicContact CD1-CB 4.09Å; Y133-K684 HydrophobicContact CD1-CG 4.46Å; Y133-K684 HydrophobicContact CE1-CB 4.06Å; Y133-K684 HydrophobicContact CE1-CG 3.97Å; Y133-K684 HydrophobicContact CG-CB 4.34Å; Y133-Q686 WeakPolarHBondContact O-CG 3.34Å
134	Q	88.5	Confident	88.9	Confident	77 Å²	77	50.7 Å²	50.7	36%	0.36	26%	0.256	S	S	.	.	S	Bend	trans	-140.4	160	173	63.8	-177.7	9.8	0	0	109.7	P132 V136 Q686	P132-Q134 HydrophobicContact CB-CG 4.08Å; P132-Q134 HydrophobicContact CG-CG 4.4Å; P132-Q134 PolarHBondContact O-N 3.27Å; Q134-V136 HydrophobicContact CG-CG2 4.25Å; Q134-V136 WeakPolarHBondContact O-CG2 3.18Å; Q134-Q686 HydrophobicContact CB-CG 4.11Å
135	E	81.9	Confident	89	Confident	198 Å²	198	57.6 Å²	57.6	93%	0.925	28%	0.276	S	S	*	.			trans	-65.3	135.4	167.7	-66.6	-177.6	173.3	0	0	109.2
136	V	85.6	Confident	89.1	Confident	42 Å²	42	59.5 Å²	59.5	26%	0.255	29%	0.286	S	S	.	.			trans	-127.9	139.4	-179.9	-158.1	0	0	0	0	108.9	P132 Q134 L138	P132-V136 HydrophobicContact CB-CG2 4.24Å; P132-V136 HydrophobicContact CG-CG2 3.47Å; P132-V136 VanDerWaalsContact CG-CG2 3.47Å; Q134-V136 HydrophobicContact CG-CG2 4.25Å; Q134-V136 WeakPolarHBondContact O-CG2 3.18Å; V136-L138 HydrophobicContact CB-CD1 4.18Å; V136-L138 HydrophobicContact CB-CG 4.24Å; V136-L138 HydrophobicContact CG1-CD1 3.65Å; V136-L138 HydrophobicContact CG1-CG 3.66Å; V136-L138 PolarHBondContact O-N 3.13Å
137	D	86	Confident	88.9	Confident	121 Å²	121	59.9 Å²	59.9	65%	0.647	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	48.2	-179.9	-158.2	40.1	0	0	0	112.7	N140	D137-N140 PolarHBondContact OD1-ND2 2.82Å; D137-N140 PolarHBondContact OD1-OD1 3Å; D137-N140 PolarHBondContact OD2-ND2 3.42Å
138	L	86.5	Confident	88.3	Confident	44 Å²	44	61.8 Å²	61.8	23%	0.23	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-2.5	-176	-69.5	174	0	0	0	113.4	I119 V136 L143 H158	I119-L138 HydrophobicContact CD1-CD1 3.67Å; I119-L138 HydrophobicContact CG1-CD1 3.72Å; V136-L138 HydrophobicContact CB-CD1 4.18Å; V136-L138 HydrophobicContact CB-CG 4.24Å; V136-L138 HydrophobicContact CG1-CD1 3.65Å; V136-L138 HydrophobicContact CG1-CG 3.66Å; V136-L138 PolarHBondContact O-N 3.13Å; L138-L143 VanDerWaalsContact O-CD1 3.28Å; L138-L143 WeakPolarHBondContact O-CD1 3.34Å; L138-H158 PolarHBondContact O-CE1 3.09Å; L138-H158 VanDerWaalsContact O-CE1 3.25Å; L138-H158 PolarHBondContact O-NE2 3.41Å; L138-H158 VanDerWaalsContact O-NE2 3.12Å
139	Y	88.1	Confident	87.2	Confident	52 Å²	52	70.6 Å²	70.6	20%	0.204	33%	0.334	C	S	.	.			trans	-117.4	18.9	-170.5	-52.3	-64.9	0	0	0	114.3	Y120 I159 Y160 H195	Y120-Y139 HydrophobicContact CE2-CE1 4.33Å; Y120-Y139 PolarHBondContact OH-OH 2.98Å; Y139-I159 HydrophobicContact CE1-CG2 4.05Å; Y139-Y160 VanDerWaalsContact CA-OH 3.25Å; Y139-Y160 WeakPolarHBondContact CA-OH 3.47Å; Y139-Y160 WeakPolarHBondContact CB-OH 3.39Å; Y139-Y160 PolarHBondContact O-OH 3.29Å; Y139-H195 HydrophobicContact CD1-CB 4.29Å; Y139-H195 AromaticContact CD1-CD2 3.51Å; Y139-H195 AromaticContact CD1-CE1 3.85Å; Y139-H195 AromaticContact CD1-CG 3.64Å; Y139-H195 AromaticContact CD1-ND1 3.87Å; Y139-H195 AromaticContact CD1-NE2 3.66Å; Y139-H195 AromaticContact CD2-CE1 3.81Å; Y139-H195 AromaticContact CD2-NE2 3.51Å; Y139-H195 HydrophobicContact CE1-CB 4.38Å; Y139-H195 AromaticContact CE1-CD2 3.28Å; Y139-H195 WeakPolarHBondContact CE1-CD2 3.3Å; Y139-H195 AromaticContact CE1-CG 3.81Å; Y139-H195 AromaticContact CE1-NE2 3.67Å; Y139-H195 AromaticContact CE2-CD2 3.98Å; Y139-H195 AromaticContact CE2-NE2 3.51Å; Y139-H195 AromaticContact CG-CD2 3.94Å; Y139-H195 AromaticContact CG-CE1 3.56Å; Y139-H195 AromaticContact CG-ND1 3.96Å; Y139-H195 AromaticContact CG-NE2 3.57Å; Y139-H195 AromaticContact CZ-CD2 3.52Å; Y139-H195 AromaticContact CZ-NE2 3.58Å
140	N	86.3	Confident	86	Confident	66 Å²	66	75.7 Å²	75.7	35%	0.353	36%	0.355	S	S	.	.			trans	-74.1	155.2	-177.7	-63.1	-15.4	0	0	0	112.7	D137 E142 L143 K144	D137-N140 PolarHBondContact OD1-ND2 2.82Å; D137-N140 PolarHBondContact OD1-OD1 3Å; D137-N140 PolarHBondContact OD2-ND2 3.42Å; N140-E142 PolarHBondContact O-N 3.07Å; N140-L143 PolarHBondContact O-N 3.42Å; N140-L143 VanDerWaalsContact O-N 3.08Å; N140-K144 PolarHBondContact O-N 3.34Å; N140-K144 VanDerWaalsContact O-N 3.11Å
141	D	84.5	Confident	84.7	Confident	90 Å²	90	81.3 Å²	81.3	48%	0.481	39%	0.385	S	S	.	.	H	α-helix	trans	-62.9	-26.5	179.8	-67.9	-25.5	0	0	0	113.4	K144 R145	D141-K144 PolarHBondContact O-N 3.14Å; D141-K144 IonicContact OD1-NZ 3.09Å; D141-K144 PolarHBondContact OD1-NZ 3.43Å; D141-R145 WeakPolarHBondContact O-CG 3.5Å; D141-R145 PolarHBondContact O-N 2.78Å
142	E	86.7	Confident	83.9	Confident	160 Å²	160	80.3 Å²	80.3	75%	0.748	38%	0.38	S	S	*	.	H	α-helix	trans	-63	-44.9	172.8	-65	-171	172.7	0	0	111.9	N140 R145 L146	N140-E142 PolarHBondContact O-N 3.07Å; E142-R145 PolarHBondContact O-N 3.04Å; E142-L146 PolarHBondContact O-N 3.44Å
143	L	86.4	Confident	83	Confident	44 Å²	44	84.5 Å²	84.5	23%	0.23	39%	0.394	C	S	.	.	H	α-helix	trans	-66.4	-39	175.2	-73.8	172.2	0	0	0	110.8	L138 N140 R145 L146 Y147 Y160	L138-L143 VanDerWaalsContact O-CD1 3.28Å; L138-L143 WeakPolarHBondContact O-CD1 3.34Å; N140-L143 PolarHBondContact O-N 3.42Å; N140-L143 VanDerWaalsContact O-N 3.08Å; L143-R145 VanDerWaalsContact C-N 3.31Å; L143-R145 PolarHBondContact O-N 3.25Å; L143-L146 HydrophobicContact CD2-CD2 4.08Å; L143-L146 WeakPolarHBondContact O-CB 3.35Å; L143-L146 PolarHBondContact O-N 3.09Å; L143-L146 VanDerWaalsContact O-N 3.09Å; L143-Y147 WeakPolarHBondContact O-CD2 3.5Å; L143-Y147 PolarHBondContact O-N 3.31Å; L143-Y147 VanDerWaalsContact O-N 3.16Å; L143-Y160 HydrophobicContact CB-CE2 4.35Å
144	K	86	Confident	82.3	Confident	27 Å²	27	90.3 Å²	90.3	12%	0.117	42%	0.423	C	S	.	.	H	α-helix	trans	-57	-45.8	174.6	-63.1	179.4	-168.3	157.6	0	111.5	N140 D141 L146 Y147 C148 Y160 Y199	N140-K144 PolarHBondContact O-N 3.34Å; N140-K144 VanDerWaalsContact O-N 3.11Å; D141-K144 PolarHBondContact O-N 3.14Å; D141-K144 IonicContact OD1-NZ 3.09Å; D141-K144 PolarHBondContact OD1-NZ 3.43Å; K144-L146 VanDerWaalsContact C-N 3.33Å; K144-L146 PolarHBondContact O-N 3.49Å; K144-Y147 PolarHBondContact O-N 3.48Å; K144-C148 WeakPolarHBondContact O-CB 3.42Å; K144-C148 PolarHBondContact O-N 3.47Å; K144-C148 VanDerWaalsContact O-N 3.17Å; K144-Y160 WeakPolarHBondContact CE-OH 3.46Å; K144-Y160 HydrophobicContact CG-CD2 4.23Å; K144-Y160 HydrophobicContact CG-CE1 4.48Å; K144-Y160 HydrophobicContact CG-CE2 3.59Å; K144-Y199 HydrophobicContact CB-CD2 4.22Å; K144-Y199 HydrophobicContact CB-CE2 4.18Å; K144-Y199 HydrophobicContact CG-CD2 4.12Å
145	R	84.4	Confident	82.2	Confident	164 Å²	164	88.5 Å²	88.5	62%	0.619	42%	0.415	S	S	*	.	H	α-helix	trans	-65.6	-33.9	175.8	-69.2	174.9	-169.2	171.5	4.4	112.6	D141 E142 L143	D141-R145 WeakPolarHBondContact O-CG 3.5Å; D141-R145 PolarHBondContact O-N 2.78Å; E142-R145 PolarHBondContact O-N 3.04Å; L143-R145 VanDerWaalsContact C-N 3.31Å; L143-R145 PolarHBondContact O-N 3.25Å
146	L	85.9	Confident	82.5	Confident	67 Å²	67	83.1 Å²	83.1	35%	0.351	39%	0.393	S	S	.	.	H	α-helix	trans	-63	-44.2	178.8	-178.3	67.2	0	0	0	112.1	E142 L143 K144 K150 L155	E142-L146 PolarHBondContact O-N 3.44Å; L143-L146 HydrophobicContact CD2-CD2 4.08Å; L143-L146 WeakPolarHBondContact O-CB 3.35Å; L143-L146 PolarHBondContact O-N 3.09Å; L143-L146 VanDerWaalsContact O-N 3.09Å; K144-L146 VanDerWaalsContact C-N 3.33Å; K144-L146 PolarHBondContact O-N 3.49Å; L146-K150 WeakPolarHBondContact O-CD 3.48Å; L146-K150 WeakPolarHBondContact O-CE 3.27Å; L146-L155 HydrophobicContact CG-CD1 4.47Å
147	Y	88.1	Confident	83	Confident	11 Å²	11	81.4 Å²	81.4	4%	0.043	38%	0.383	C	S	.	.	H	α-helix	trans	-79.1	-27	-179.5	-77.4	-89.9	0	0	0	113.2	L143 K144 R149 K150 V152 L155 D156 H158 Y160 A161	L143-Y147 WeakPolarHBondContact O-CD2 3.5Å; L143-Y147 PolarHBondContact O-N 3.31Å; L143-Y147 VanDerWaalsContact O-N 3.16Å; K144-Y147 PolarHBondContact O-N 3.48Å; Y147-R149 PolarHBondContact O-N 3.38Å; Y147-K150 PolarHBondContact O-N 3.26Å; Y147-V152 HydrophobicContact CD1-CG1 4.35Å; Y147-L155 HydrophobicContact CD1-CB 4.38Å; Y147-L155 HydrophobicContact CD1-CD1 3.68Å; Y147-L155 HydrophobicContact CE1-CB 3.62Å; Y147-L155 HydrophobicContact CE1-CD1 3.75Å; Y147-L155 HydrophobicContact CE1-CG 4.34Å; Y147-L155 HydrophobicContact CG-CD1 4.12Å; Y147-D156 PolarHBondContact OH-O 2.97Å; Y147-H158 HydrophobicContact CE1-CB 3.95Å; Y147-H158 HydrophobicContact CE2-CB 3.99Å; Y147-H158 WeakPolarHBondContact OH-CB 3.37Å; Y147-Y160 HydrophobicContact CD2-CD2 4.38Å; Y147-A161 HydrophobicContact CD1-CB 3.84Å; Y147-A161 HydrophobicContact CE1-CB 3.75Å
148	C	84.3	Confident	83.4	Confident	40 Å²	40	76 Å²	76	27%	0.27	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	123.7	-175.6	-172.5	0	0	0	0	112.3	K144 K150 Y199	K144-C148 WeakPolarHBondContact O-CB 3.42Å; K144-C148 PolarHBondContact O-N 3.47Å; K144-C148 VanDerWaalsContact O-N 3.17Å; C148-K150 PolarHBondContact O-N 3.31Å; C148-K150 VanDerWaalsContact O-N 3.11Å; C148-Y199 VanDerWaalsContact CA-OH 3.26Å; C148-Y199 WeakPolarHBondContact CA-OH 3.49Å; C148-Y199 PolarHBondContact N-OH 3.33Å; C148-Y199 VanDerWaalsContact N-OH 3.14Å
149	R	72.8	Confident	83.8	Confident	186 Å²	186	73.9 Å²	73.9	70%	0.702	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	23.3	176.8	-58.1	-179.5	-178.2	177.6	2.5	115.5	Y147 E164	Y147-R149 PolarHBondContact O-N 3.38Å; R149-E164 WeakPolarHBondContact CA-OE1 3.3Å; R149-E164 VanDerWaalsContact N-CD 3.32Å; R149-E164 PolarHBondContact N-OE1 3.48Å
150	K	72.3	Confident	84	Confident	113 Å²	113	71.4 Å²	71.4	49%	0.491	33%	0.333	S	S	.	.	S	Bend	trans	-105.9	166	173.7	-64.7	-159.4	-166.6	174.1	0	111.5	L146 Y147 C148 V152 L155	L146-K150 WeakPolarHBondContact O-CD 3.48Å; L146-K150 WeakPolarHBondContact O-CE 3.27Å; Y147-K150 PolarHBondContact O-N 3.26Å; C148-K150 PolarHBondContact O-N 3.31Å; C148-K150 VanDerWaalsContact O-N 3.11Å; K150-V152 VanDerWaalsContact C-N 3.34Å; K150-V152 PolarHBondContact O-N 3.3Å; K150-L155 HydrophobicContact CB-CD1 4.5Å
151	N	68.7	Low	84.3	Confident	122 Å²	122	68.3 Å²	68.3	65%	0.652	32%	0.316	S	S	*	.			trans	-70.1	92.2	170.3	-95.1	-39.7	0	0	0	110.3	R153 Q154	N151-R153 VanDerWaalsContact C-N 3.28Å; N151-R153 PolarHBondContact O-N 3.09Å; N151-Q154 HydrophobicContact CB-CG 4.4Å; N151-Q154 PolarHBondContact O-N 2.95Å; N151-Q154 VanDerWaalsContact O-N 3.13Å
152	V	75.9	Confident	84.7	Confident	13 Å²	13	64.3 Å²	64.3	8%	0.079	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-50.2	-39.9	-176.4	-79	0	0	0	0	114.7	Y147 K150 Q154 L155 A161 E164 E165	Y147-V152 HydrophobicContact CD1-CG1 4.35Å; K150-V152 VanDerWaalsContact C-N 3.34Å; K150-V152 PolarHBondContact O-N 3.3Å; V152-Q154 PolarHBondContact O-N 2.87Å; V152-L155 PolarHBondContact O-N 2.81Å; V152-L155 VanDerWaalsContact O-N 3.13Å; V152-A161 HydrophobicContact CB-CB 4.02Å; V152-A161 HydrophobicContact CG1-CB 4.13Å; V152-E164 HydrophobicContact CG1-CB 3.65Å; V152-E164 HydrophobicContact CG1-CG 3.63Å; V152-E165 HydrophobicContact CG2-CB 4.15Å
153	R	73.9	Confident	85	Confident	97 Å²	97	56.7 Å²	56.7	37%	0.366	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-73.8	-7.6	-176.3	-66.8	-70.3	-176.6	147.7	-1.4	114.8	D94 G124 N151 E165	D94-R153 IonicContact OD2-NH1 3.93Å; G124-R153 PolarHBondContact O-NH1 3.08Å; G124-R153 PolarHBondContact O-NH2 3.22Å; N151-R153 VanDerWaalsContact C-N 3.28Å; N151-R153 PolarHBondContact O-N 3.09Å; R153-E165 IonicContact CZ-OE2 3.38Å; R153-E165 IonicContact NE-OE2 3.31Å; R153-E165 PolarHBondContact NE-OE2 3.36Å; R153-E165 IonicContact NH2-OE1 3.16Å; R153-E165 IonicContact NH2-OE2 2.68Å; R153-E165 PolarHBondContact NH2-OE2 3.1Å
154	Q	75.1	Confident	85.3	Confident	162 Å²	162	55.3 Å²	55.3	76%	0.757	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-91.6	-12.6	172.3	-65.6	-178.9	-5.8	0	0	112.5	N151 V152	N151-Q154 HydrophobicContact CB-CG 4.4Å; N151-Q154 PolarHBondContact O-N 2.95Å; N151-Q154 VanDerWaalsContact O-N 3.13Å; V152-Q154 PolarHBondContact O-N 2.87Å
155	L	86	Confident	85.5	Confident	39 Å²	39	55 Å²	55	20%	0.204	25%	0.251	C	S	.	.	S	Bend	trans	-94.1	167.8	176	-60.4	174	0	0	0	109.6	L146 Y147 K150 V152	L146-L155 HydrophobicContact CG-CD1 4.47Å; Y147-L155 HydrophobicContact CD1-CB 4.38Å; Y147-L155 HydrophobicContact CD1-CD1 3.68Å; Y147-L155 HydrophobicContact CE1-CB 3.62Å; Y147-L155 HydrophobicContact CE1-CD1 3.75Å; Y147-L155 HydrophobicContact CE1-CG 4.34Å; Y147-L155 HydrophobicContact CG-CD1 4.12Å; K150-L155 HydrophobicContact CB-CD1 4.5Å; V152-L155 PolarHBondContact O-N 2.81Å; V152-L155 VanDerWaalsContact O-N 3.13Å
156	D	89.7	Confident	85.8	Confident	85 Å²	85	47.2 Å²	47.2	46%	0.455	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-60.5	154.5	177.7	-67.7	-23.5	0	0	0	111.6	Q93 Y147 H158	Q93-D156 PolarHBondContact NE2-OD1 3.48Å; Y147-D156 PolarHBondContact OH-O 2.97Å; D156-H158 PolarHBondContact O-N 3.45Å
157	P	94.3	Very high	86	Confident	7 Å²	7	45 Å²	45	5%	0.045	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-59.8	126.9	176	-19	28.9	0	0	0	111.3	Q93 Y120 Y122 L127	Q93-P157 HydrophobicContact CB-CG 3.76Å; Q93-P157 HydrophobicContact CG-CG 4.34Å; Q93-P157 WeakPolarHBondContact O-CG 3.39Å; Y120-P157 WeakPolarHBondContact CB-O 3.44Å; Y122-P157 HydrophobicContact CD1-CB 4.36Å; Y122-P157 HydrophobicContact CD2-CB 3.67Å; Y122-P157 HydrophobicContact CD2-CG 3.53Å; Y122-P157 HydrophobicContact CE1-CB 4.32Å; Y122-P157 VanDerWaalsContact CE2-CA 3.41Å; Y122-P157 HydrophobicContact CE2-CB 3.6Å; Y122-P157 HydrophobicContact CE2-CG 3.71Å; Y122-P157 HydrophobicContact CG-CB 4.05Å; Y122-P157 HydrophobicContact CG-CG 4.21Å; L127-P157 HydrophobicContact CD1-CB 4.06Å
158	H	94.6	Very high	86	Confident	7 Å²	7	46.3 Å²	46.3	3%	0.032	22%	0.222	C	C	.	.			trans	-152.6	155.4	179.2	-159.1	-101.7	0	0	0	112.2	Y120 L138 Y147 D156 Y160 A161	Y120-H158 AromaticContact CD2-CD2 3.62Å; Y120-H158 AromaticContact CE2-CD2 3.76Å; Y120-H158 AromaticContact CE2-NE2 3.72Å; L138-H158 PolarHBondContact O-CE1 3.09Å; L138-H158 VanDerWaalsContact O-CE1 3.25Å; L138-H158 PolarHBondContact O-NE2 3.41Å; L138-H158 VanDerWaalsContact O-NE2 3.12Å; Y147-H158 HydrophobicContact CE1-CB 3.95Å; Y147-H158 HydrophobicContact CE2-CB 3.99Å; Y147-H158 WeakPolarHBondContact OH-CB 3.37Å; D156-H158 PolarHBondContact O-N 3.45Å; H158-Y160 AromaticContact CE1-CD2 3.31Å; H158-Y160 WeakPolarHBondContact CE1-CD2 3.41Å; H158-Y160 AromaticContact CE1-CE2 3.5Å; H158-Y160 AromaticContact CE1-CG 3.67Å; H158-Y160 WeakPolarHBondContact ND1-CB 3.27Å; H158-Y160 AromaticContact ND1-CD2 3.24Å; H158-Y160 WeakPolarHBondContact ND1-CD2 3.48Å; H158-Y160 AromaticContact ND1-CE2 3.94Å; H158-Y160 AromaticContact ND1-CG 3.31Å; H158-Y160 VanDerWaalsContact ND1-CG 3.31Å; H158-Y160 PolarHBondContact ND1-N 3.49Å; H158-Y160 PolarHBondContact O-N 3.31Å; H158-A161 VanDerWaalsContact O-CB 3.22Å; H158-A161 WeakPolarHBondContact O-CB 3.27Å; H158-A161 PolarHBondContact O-N 2.91Å
159	I	94.9	Very high	86.1	Confident	0 Å²	0	45 Å²	45	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.1	-34.2	176.6	-167.3	63.2	0	0	0	112.3	Y120 L127 Y139 A161 V162 A163 H195 V196 V675	Y120-I159 HydrophobicContact CE1-CB 3.97Å; Y120-I159 HydrophobicContact CE2-CB 4.47Å; Y120-I159 HydrophobicContact CE2-CG2 4.42Å; L127-I159 HydrophobicContact CD2-CB 4.33Å; L127-I159 HydrophobicContact CD2-CD1 3.96Å; Y139-I159 HydrophobicContact CE1-CG2 4.05Å; I159-A161 VanDerWaalsContact C-N 3.27Å; I159-A161 PolarHBondContact O-N 3.38Å; I159-V162 PolarHBondContact O-N 3.29Å; I159-A163 PolarHBondContact O-N 3.47Å; I159-A163 VanDerWaalsContact O-N 3.16Å; I159-H195 HydrophobicContact CG2-CB 4.14Å; I159-V196 HydrophobicContact CD1-CG2 3.62Å; I159-V196 HydrophobicContact CG1-CG2 3.49Å; I159-V196 VanDerWaalsContact CG1-CG2 3.49Å; I159-V675 HydrophobicContact CD1-CB 4.43Å; I159-V675 HydrophobicContact CD1-CG1 3.9Å; I159-V675 HydrophobicContact CD1-CG2 3.7Å
160	Y	93.6	Very high	86.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-29.8	174.7	-59.6	-24.9	0	0	0	112.9	Y139 L143 K144 Y147 H158 V162 A163 E164 H195 Y199	Y139-Y160 VanDerWaalsContact CA-OH 3.25Å; Y139-Y160 WeakPolarHBondContact CA-OH 3.47Å; Y139-Y160 WeakPolarHBondContact CB-OH 3.39Å; Y139-Y160 PolarHBondContact O-OH 3.29Å; L143-Y160 HydrophobicContact CB-CE2 4.35Å; K144-Y160 WeakPolarHBondContact CE-OH 3.46Å; K144-Y160 HydrophobicContact CG-CD2 4.23Å; K144-Y160 HydrophobicContact CG-CE1 4.48Å; K144-Y160 HydrophobicContact CG-CE2 3.59Å; Y147-Y160 HydrophobicContact CD2-CD2 4.38Å; H158-Y160 AromaticContact CE1-CD2 3.31Å; H158-Y160 WeakPolarHBondContact CE1-CD2 3.41Å; H158-Y160 AromaticContact CE1-CE2 3.5Å; H158-Y160 AromaticContact CE1-CG 3.67Å; H158-Y160 WeakPolarHBondContact ND1-CB 3.27Å; H158-Y160 AromaticContact ND1-CD2 3.24Å; H158-Y160 WeakPolarHBondContact ND1-CD2 3.48Å; H158-Y160 AromaticContact ND1-CE2 3.94Å; H158-Y160 AromaticContact ND1-CG 3.31Å; H158-Y160 VanDerWaalsContact ND1-CG 3.31Å; H158-Y160 PolarHBondContact ND1-N 3.49Å; H158-Y160 PolarHBondContact O-N 3.31Å; Y160-V162 VanDerWaalsContact C-N 3.32Å; Y160-V162 PolarHBondContact O-N 3.01Å; Y160-A163 PolarHBondContact O-N 2.86Å; Y160-E164 WeakPolarHBondContact O-CB 3.42Å; Y160-E164 PolarHBondContact O-N 3Å; Y160-H195 HydrophobicContact CE1-CB 4.21Å; Y160-Y199 AromaticContact CD1-CD2 3.37Å; Y160-Y199 HydrophobicContact CD1-CD2 3.37Å; Y160-Y199 HydrophobicContact CD1-CE2 4.18Å; Y160-Y199 AromaticContact CD1-CG 3.71Å; Y160-Y199 HydrophobicContact CD1-CG 3.71Å; Y160-Y199 HydrophobicContact CD2-CD2 4.09Å; Y160-Y199 HydrophobicContact CD2-CE2 4.28Å; Y160-Y199 AromaticContact CE1-CD2 3.93Å; Y160-Y199 HydrophobicContact CE1-CD2 3.93Å; Y160-Y199 HydrophobicContact CE1-CG 4.31Å; Y160-Y199 AromaticContact CG-CD2 3.47Å; Y160-Y199 HydrophobicContact CG-CD2 3.47Å; Y160-Y199 VanDerWaalsContact CG-CD2 3.47Å; Y160-Y199 AromaticContact CG-CE2 3.8Å; Y160-Y199 HydrophobicContact CG-CE2 3.8Å; Y160-Y199 HydrophobicContact CG-CG 4.17Å
161	A	92.3	Very high	87.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.7	-37.8	175.8	0	0	0	0	0	111.6	Y122 Y147 V152 H158 I159 E165	Y122-A161 WeakPolarHBondContact OH-CB 3.29Å; Y147-A161 HydrophobicContact CD1-CB 3.84Å; Y147-A161 HydrophobicContact CE1-CB 3.75Å; V152-A161 HydrophobicContact CB-CB 4.02Å; V152-A161 HydrophobicContact CG1-CB 4.13Å; H158-A161 VanDerWaalsContact O-CB 3.22Å; H158-A161 WeakPolarHBondContact O-CB 3.27Å; H158-A161 PolarHBondContact O-N 2.91Å; I159-A161 VanDerWaalsContact C-N 3.27Å; I159-A161 PolarHBondContact O-N 3.38Å; A161-E165 VanDerWaalsContact O-CB 3.27Å; A161-E165 WeakPolarHBondContact O-CB 3.41Å; A161-E165 PolarHBondContact O-N 3.29Å
162	V	93.4	Very high	88	Confident	7 Å²	7	31.3 Å²	31.3	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-68	-42.8	174.8	175.1	0	0	0	0	111	L127 I159 Y160 E165 A166 I179 H673 V675	L127-V162 HydrophobicContact CB-CG2 3.76Å; L127-V162 HydrophobicContact CD2-CG2 3.72Å; L127-V162 HydrophobicContact CG-CG2 4.28Å; I159-V162 PolarHBondContact O-N 3.29Å; Y160-V162 VanDerWaalsContact C-N 3.32Å; Y160-V162 PolarHBondContact O-N 3.01Å; V162-E165 PolarHBondContact O-N 3.45Å; V162-A166 WeakPolarHBondContact O-CB 3.36Å; V162-A166 PolarHBondContact O-N 3.22Å; V162-I179 HydrophobicContact CG1-CD1 4.47Å; V162-I179 HydrophobicContact CG1-CG1 4.41Å; V162-I179 HydrophobicContact CG1-CG2 4.08Å; V162-H673 HydrophobicContact CG1-CB 3.79Å; V162-V675 HydrophobicContact CG1-CG2 4.19Å
163	A	92.8	Very high	88.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.1	-44.6	177.8	0	0	0	0	0	112.1	I159 Y160 A166 F167 V196 Y199 L200	I159-A163 PolarHBondContact O-N 3.47Å; I159-A163 VanDerWaalsContact O-N 3.16Å; Y160-A163 PolarHBondContact O-N 2.86Å; A163-A166 PolarHBondContact O-N 2.95Å; A163-F167 WeakPolarHBondContact O-CB 3.31Å; A163-F167 PolarHBondContact O-N 3.4Å; A163-V196 HydrophobicContact CB-CG1 4.21Å; A163-Y199 HydrophobicContact CB-CD1 3.45Å; A163-Y199 VanDerWaalsContact CB-CD1 3.45Å; A163-Y199 HydrophobicContact CB-CE1 4.05Å; A163-Y199 HydrophobicContact CB-CG 4.15Å; A163-L200 HydrophobicContact CB-CD2 4.25Å; A163-L200 HydrophobicContact CB-CG 4.3Å
164	E	91.8	Very high	88.7	Confident	14 Å²	14	38.9 Å²	38.9	7%	0.065	20%	0.201	C	C	.	.	H	α-helix	trans	-70.3	-37.1	175.8	-179.7	69	-161.2	0	0	112.1	R149 V152 Y160 A166 F167 A168 Y199	R149-E164 WeakPolarHBondContact CA-OE1 3.3Å; R149-E164 VanDerWaalsContact N-CD 3.32Å; R149-E164 PolarHBondContact N-OE1 3.48Å; V152-E164 HydrophobicContact CG1-CB 3.65Å; V152-E164 HydrophobicContact CG1-CG 3.63Å; Y160-E164 WeakPolarHBondContact O-CB 3.42Å; Y160-E164 PolarHBondContact O-N 3Å; E164-A166 VanDerWaalsContact C-N 3.3Å; E164-A166 PolarHBondContact O-N 3.38Å; E164-F167 PolarHBondContact O-N 3.22Å; E164-A168 VanDerWaalsContact O-CB 3.23Å; E164-A168 WeakPolarHBondContact O-CB 3.19Å; E164-A168 PolarHBondContact O-N 3.4Å; E164-Y199 HydrophobicContact CB-CE1 3.97Å; E164-Y199 PolarHBondContact OE2-OH 2.9Å
165	E	89.8	Confident	89.2	Confident	22 Å²	22	35.3 Å²	35.3	10%	0.103	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-43.4	173.5	-168.4	175.1	159	0	0	110.5	V152 R153 A161 V162 S169 R506	V152-E165 HydrophobicContact CG2-CB 4.15Å; R153-E165 IonicContact CZ-OE2 3.38Å; R153-E165 IonicContact NE-OE2 3.31Å; R153-E165 PolarHBondContact NE-OE2 3.36Å; R153-E165 IonicContact NH2-OE1 3.16Å; R153-E165 IonicContact NH2-OE2 2.68Å; R153-E165 PolarHBondContact NH2-OE2 3.1Å; A161-E165 VanDerWaalsContact O-CB 3.27Å; A161-E165 WeakPolarHBondContact O-CB 3.41Å; A161-E165 PolarHBondContact O-N 3.29Å; V162-E165 PolarHBondContact O-N 3.45Å; E165-S169 WeakPolarHBondContact O-CB 3.32Å; E165-S169 PolarHBondContact O-N 3.02Å; E165-S169 PolarHBondContact O-OG 3.11Å; E165-R506 IonicContact OE1-NH1 2.78Å; E165-R506 IonicContact OE1-NH2 2.83Å; E165-R506 PolarHBondContact OE1-NH2 3Å
166	A	91.5	Very high	89.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-51	174.2	0	0	0	0	0	111.2	V162 A163 E164 A168 S169 M170 Q177 I179 I467	V162-A166 WeakPolarHBondContact O-CB 3.36Å; V162-A166 PolarHBondContact O-N 3.22Å; A163-A166 PolarHBondContact O-N 2.95Å; E164-A166 VanDerWaalsContact C-N 3.3Å; E164-A166 PolarHBondContact O-N 3.38Å; A166-A168 PolarHBondContact O-N 2.99Å; A166-S169 PolarHBondContact O-N 3.34Å; A166-M170 PolarHBondContact O-N 2.65Å; A166-Q177 HydrophobicContact CB-CB 4.19Å; A166-Q177 HydrophobicContact CB-CG 4.47Å; A166-Q177 WeakPolarHBondContact O-CG 3.49Å; A166-I179 HydrophobicContact CB-CD1 3.93Å; A166-I179 HydrophobicContact CB-CG1 4.12Å; A166-I467 HydrophobicContact CB-CG2 4.37Å
167	F	89.9	Confident	89.7	Confident	21 Å²	21	31.1 Å²	31.1	9%	0.092	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-45.1	-179.2	-175.7	-101.5	0	0	0	113.3	A163 E164 S169 M170 N171 L200 C204 F254 G257 I467	A163-F167 WeakPolarHBondContact O-CB 3.31Å; A163-F167 PolarHBondContact O-N 3.4Å; E164-F167 PolarHBondContact O-N 3.22Å; F167-S169 PolarHBondContact O-N 3.4Å; F167-M170 HydrophobicContact CD2-CE 3.92Å; F167-M170 HydrophobicContact CE2-CE 4.02Å; F167-M170 PolarHBondContact O-N 3.41Å; F167-N171 VanDerWaalsContact CE1-ND2 3.28Å; F167-N171 WeakPolarHBondContact CE1-ND2 3.27Å; F167-N171 VanDerWaalsContact CZ-ND2 3.35Å; F167-N171 WeakPolarHBondContact CZ-ND2 3.31Å; F167-N171 PolarHBondContact O-N 2.92Å; F167-N171 PolarHBondContact O-ND2 2.9Å; F167-L200 HydrophobicContact CB-CD2 4.19Å; F167-C204 WeakPolarHBondContact CE2-SG 3.44Å; F167-F254 HydrophobicContact CD2-CE1 4.4Å; F167-F254 HydrophobicContact CE2-CD1 4.19Å; F167-F254 HydrophobicContact CE2-CE1 4.03Å; F167-G257 VanDerWaalsContact CE2-O 3.25Å; F167-G257 WeakPolarHBondContact CE2-O 3.39Å; F167-G257 VanDerWaalsContact CZ-O 3.24Å; F167-G257 WeakPolarHBondContact CZ-O 3.45Å; F167-I467 HydrophobicContact CB-CD1 4.13Å; F167-I467 HydrophobicContact CD2-CD1 4.06Å
168	A	87.8	Confident	89.7	Confident	38 Å²	38	30.8 Å²	30.8	31%	0.314	16%	0.159	S	C	.	.	H	α-helix	trans	-64.8	-39	176.3	0	0	0	0	0	111.9	E164 A166 N171 S172	E164-A168 VanDerWaalsContact O-CB 3.23Å; E164-A168 WeakPolarHBondContact O-CB 3.19Å; E164-A168 PolarHBondContact O-N 3.4Å; A166-A168 PolarHBondContact O-N 2.99Å; A168-N171 PolarHBondContact O-N 3.05Å; A168-S172 WeakPolarHBondContact O-CB 3.49Å; A168-S172 PolarHBondContact O-N 3.42Å; A168-S172 PolarHBondContact O-OG 3.46Å
169	S	86.7	Confident	89.8	Confident	13 Å²	13	30.5 Å²	30.5	9%	0.091	16%	0.158	C	C	.	.	H	α-helix	trans	-67.2	-40.8	177.8	-63.7	0	0	0	0	112.2	E165 A166 F167 N171 S172 F173	E165-S169 WeakPolarHBondContact O-CB 3.32Å; E165-S169 PolarHBondContact O-N 3.02Å; E165-S169 PolarHBondContact O-OG 3.11Å; A166-S169 PolarHBondContact O-N 3.34Å; F167-S169 PolarHBondContact O-N 3.4Å; S169-N171 VanDerWaalsContact C-N 3.31Å; S169-N171 PolarHBondContact O-N 3.47Å; S169-S172 PolarHBondContact O-N 2.94Å; S169-F173 WeakPolarHBondContact O-CB 3.45Å; S169-F173 WeakPolarHBondContact O-CD2 3.47Å; S169-F173 PolarHBondContact O-N 3Å
170	M	88.5	Confident	89.8	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-57.1	-47.2	173.5	-176.2	177.9	67.1	0	0	111.1	A166 F167 K174 K175 Q177 F254 Q465 I467	A166-M170 PolarHBondContact O-N 2.65Å; F167-M170 HydrophobicContact CD2-CE 3.92Å; F167-M170 HydrophobicContact CE2-CE 4.02Å; F167-M170 PolarHBondContact O-N 3.41Å; M170-K174 WeakPolarHBondContact O-CA 3.37Å; M170-K174 PolarHBondContact O-N 3.11Å; M170-K175 WeakPolarHBondContact CA-O 3.33Å; M170-Q177 HydrophobicContact CB-CG 3.71Å; M170-Q177 HydrophobicContact CG-CG 4.5Å; M170-F254 HydrophobicContact CE-CB 3.81Å; M170-F254 HydrophobicContact CE-CD1 4.21Å; M170-F254 HydrophobicContact CE-CD2 3.57Å; M170-F254 HydrophobicContact CE-CE2 4.18Å; M170-F254 HydrophobicContact CE-CG 3.59Å; M170-F254 HydrophobicContact SD-CB 4.37Å; M170-F254 HydrophobicContact SD-CD2 3.89Å; M170-F254 HydrophobicContact SD-CG 4.35Å; M170-Q465 HydrophobicContact CG-CB 3.97Å; M170-Q465 HydrophobicContact SD-CB 3.75Å; M170-I467 HydrophobicContact CE-CD1 3.98Å; M170-I467 HydrophobicContact CE-CG1 4.1Å; M170-I467 HydrophobicContact SD-CD1 4.15Å; M170-I467 HydrophobicContact SD-CG1 3.63Å
171	N	82.7	Confident	89.9	Confident	43 Å²	43	30.5 Å²	30.5	23%	0.23	16%	0.158	C	C	.	.	H	α-helix	trans	-66.4	-41.2	-180	-85.1	-48.1	0	0	0	113.4	F167 A168 S169 K174 G257	F167-N171 VanDerWaalsContact CE1-ND2 3.28Å; F167-N171 WeakPolarHBondContact CE1-ND2 3.27Å; F167-N171 VanDerWaalsContact CZ-ND2 3.35Å; F167-N171 WeakPolarHBondContact CZ-ND2 3.31Å; F167-N171 PolarHBondContact O-N 2.92Å; F167-N171 PolarHBondContact O-ND2 2.9Å; A168-N171 PolarHBondContact O-N 3.05Å; S169-N171 VanDerWaalsContact C-N 3.31Å; S169-N171 PolarHBondContact O-N 3.47Å; N171-K174 WeakPolarHBondContact O-CE 3.49Å; N171-G257 VanDerWaalsContact CG-O 3.27Å; N171-G257 PolarHBondContact ND2-O 3.41Å; N171-G257 VanDerWaalsContact OD1-CA 3.28Å; N171-G257 WeakPolarHBondContact OD1-CA 3.42Å; N171-G257 PolarHBondContact OD1-O 3.29Å
172	S	83.5	Confident	89.8	Confident	89 Å²	89	30.7 Å²	30.7	62%	0.622	16%	0.159	S	C	*	.	H	α-helix	trans	-76.4	-44.5	-174.7	-56.6	0	0	0	0	112.7	A168 S169	A168-S172 WeakPolarHBondContact O-CB 3.49Å; A168-S172 PolarHBondContact O-N 3.42Å; A168-S172 PolarHBondContact O-OG 3.46Å; S169-S172 PolarHBondContact O-N 2.94Å
173	F	82.1	Confident	89.7	Confident	147 Å²	147	30.3 Å²	30.3	65%	0.645	16%	0.157	S	C	*	.	H	α-helix	trans	-100.5	-3	-173.8	-59.7	-70	0	0	0	113.6	S169 K175	S169-F173 WeakPolarHBondContact O-CB 3.45Å; S169-F173 WeakPolarHBondContact O-CD2 3.47Å; S169-F173 PolarHBondContact O-N 3Å; F173-K175 HydrophobicContact CB-CB 4.35Å; F173-K175 PolarHBondContact O-N 3.28Å
174	K	82.5	Confident	89.4	Confident	122 Å²	122	30.9 Å²	30.9	53%	0.53	16%	0.159	S	C	.	.			trans	50.4	31.5	-174.8	-60.3	-65	178.8	-175.1	0	113.3	M170 N171 E256 Q465	M170-K174 WeakPolarHBondContact O-CA 3.37Å; M170-K174 PolarHBondContact O-N 3.11Å; N171-K174 WeakPolarHBondContact O-CE 3.49Å; K174-E256 PolarHBondContact NZ-O 2.92Å; K174-Q465 PolarHBondContact O-NE2 3.08Å
175	K	85.2	Confident	89	Confident	87 Å²	87	30.5 Å²	30.5	38%	0.378	16%	0.159	S	C	.	.			trans	-112.8	137.7	-179.5	-168.1	-176	-178.6	-162.9	0	110	M170 F173 Q177 Q669 T670 M671	M170-K175 WeakPolarHBondContact CA-O 3.33Å; F173-K175 HydrophobicContact CB-CB 4.35Å; F173-K175 PolarHBondContact O-N 3.28Å; K175-Q177 PolarHBondContact O-NE2 3.44Å; K175-Q669 WeakPolarHBondContact CE-O 3.35Å; K175-T670 PolarHBondContact NZ-O 3.06Å; K175-M671 HydrophobicContact CD-CB 4.45Å
176	N	91.3	Very high	88.8	Confident	37 Å²	37	29.9 Å²	29.9	20%	0.198	16%	0.158	C	C	.	.			trans	-58.7	150.3	174.2	-65.7	-29.5	0	0	0	111.6	Q465 F466 T670 M671	N176-Q465 VanDerWaalsContact OD1-CA 3.28Å; N176-Q465 WeakPolarHBondContact OD1-CA 3.41Å; N176-F466 HydrophobicContact CB-CD1 3.95Å; N176-F466 HydrophobicContact CB-CE1 3.71Å; N176-F466 HydrophobicContact CB-CE2 4.38Å; N176-F466 HydrophobicContact CB-CG 4.4Å; N176-F466 HydrophobicContact CB-CZ 3.93Å; N176-F466 VanDerWaalsContact CG-CD1 3.42Å; N176-F466 VanDerWaalsContact CG-CE1 3.44Å; N176-F466 WeakPolarHBondContact ND2-CD1 3.25Å; N176-F466 WeakPolarHBondContact ND2-CE1 3.42Å; N176-F466 PolarHBondContact OD1-N 3.37Å; N176-T670 HydrophobicContact CB-CG2 3.71Å; N176-T670 CarbonylContact O-C 3.59Å; N176-T670 WeakPolarHBondContact O-CA 3.48Å; N176-T670 WeakPolarHBondContact O-CB 3.44Å; N176-M671 PolarHBondContact O-N 3.22Å
177	Q	93.8	Very high	88.7	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	154.5	-175.3	-52.5	-71.6	-50.8	0	0	110.2	A166 M170 K175 F466 I467 G468 M671 H673	A166-Q177 HydrophobicContact CB-CB 4.19Å; A166-Q177 HydrophobicContact CB-CG 4.47Å; A166-Q177 WeakPolarHBondContact O-CG 3.49Å; M170-Q177 HydrophobicContact CB-CG 3.71Å; M170-Q177 HydrophobicContact CG-CG 4.5Å; K175-Q177 PolarHBondContact O-NE2 3.44Å; Q177-F466 PolarHBondContact N-O 3.17Å; Q177-I467 HydrophobicContact CB-CG1 4.21Å; Q177-I467 HydrophobicContact CB-CG2 4.28Å; Q177-I467 WeakPolarHBondContact O-CA 3.38Å; Q177-G468 PolarHBondContact O-N 3.27Å; Q177-M671 WeakPolarHBondContact CA-O 3.5Å; Q177-H673 PolarHBondContact OE1-NE2 3.34Å
178	S	94.7	Very high	88.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	140.6	167	-47.9	0	0	0	0	111.8	G468 T670 M671 L672 H673	S178-G468 CarbonylContact C-O 3.43Å; S178-G468 WeakPolarHBondContact CA-O 3.42Å; S178-T670 WeakPolarHBondContact OG-CB 3.5Å; S178-T670 WeakPolarHBondContact OG-CG2 3.35Å; S178-T670 PolarHBondContact OG-OG1 3.39Å; S178-M671 PolarHBondContact N-O 3.42Å; S178-L672 CarbonylContact O-C 3.52Å; S178-L672 WeakPolarHBondContact O-CA 3.43Å; S178-H673 PolarHBondContact O-N 3.3Å
179	I	96.2	Very high	88.8	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.5	178.4	-58.2	169.5	0	0	0	106.8	V162 A166 V181 V196 L200 I467 G468 V469 L470 H673 V675	V162-I179 HydrophobicContact CG1-CD1 4.47Å; V162-I179 HydrophobicContact CG1-CG1 4.41Å; V162-I179 HydrophobicContact CG1-CG2 4.08Å; A166-I179 HydrophobicContact CB-CD1 3.93Å; A166-I179 HydrophobicContact CB-CG1 4.12Å; I179-V181 HydrophobicContact CG2-CG2 4.29Å; I179-V196 HydrophobicContact CD1-CG1 3.5Å; I179-V196 VanDerWaalsContact CD1-CG1 3.5Å; I179-L200 HydrophobicContact CD1-CD1 4.45Å; I179-I467 HydrophobicContact CD1-CG2 4.16Å; I179-I467 HydrophobicContact CG1-CG2 4.46Å; I179-G468 PolarHBondContact N-O 2.9Å; I179-V469 WeakPolarHBondContact O-CA 3.4Å; I179-L470 PolarHBondContact O-N 2.97Å; I179-H673 CarbonylContact C-O 3.52Å; I179-H673 WeakPolarHBondContact CA-O 3.3Å; I179-H673 HydrophobicContact CG1-CB 4.17Å; I179-V675 HydrophobicContact CG2-CG2 4.09Å
180	I	95	Very high	88.9	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	113.6	-178.7	-59.3	175.2	0	0	0	108.7	L470 I472 L495 L667 L672 H673 Y674 V675	I180-L470 HydrophobicContact CG1-CB 4.3Å; I180-L470 HydrophobicContact CG1-CD2 4.13Å; I180-L470 HydrophobicContact CG2-CD2 4.21Å; I180-I472 HydrophobicContact CG2-CD1 4.04Å; I180-I472 HydrophobicContact CG2-CG1 4.48Å; I180-L495 HydrophobicContact CD1-CD2 4.36Å; I180-L667 HydrophobicContact CD1-CD1 4.12Å; I180-L667 HydrophobicContact CD1-CD2 4.4Å; I180-L672 HydrophobicContact CD1-CD1 4.08Å; I180-L672 HydrophobicContact CD1-CD2 4.07Å; I180-L672 HydrophobicContact CD1-CG 4.5Å; I180-H673 PolarHBondContact N-O 3.04Å; I180-Y674 HydrophobicContact CB-CD1 4.01Å; I180-Y674 HydrophobicContact CB-CE1 4.23Å; I180-Y674 HydrophobicContact CD1-CD1 4.31Å; I180-Y674 HydrophobicContact CD1-CE1 3.65Å; I180-Y674 HydrophobicContact CG1-CE1 4.42Å; I180-Y674 HydrophobicContact CG2-CD1 4.43Å; I180-V675 PolarHBondContact O-N 3Å
181	V	95.5	Very high	89	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	116.2	176.3	-169.8	0	0	0	0	108.6	I179 K189 A193 L470 I472 V675	I179-V181 HydrophobicContact CG2-CG2 4.29Å; V181-K189 HydrophobicContact CG1-CB 4.06Å; V181-K189 HydrophobicContact CG1-CG 4.48Å; V181-A193 HydrophobicContact CB-CB 4.49Å; V181-A193 HydrophobicContact CG2-CB 4.14Å; V181-L470 PolarHBondContact N-O 3.37Å; V181-I472 PolarHBondContact O-N 3.29Å; V181-V675 WeakPolarHBondContact CA-O 3.48Å; V181-V675 HydrophobicContact CG1-CB 4.36Å; V181-V675 HydrophobicContact CG1-CG1 4.39Å; V181-V675 HydrophobicContact CG2-CB 4.2Å; V181-V675 HydrophobicContact CG2-CG2 4.48Å
182	S	92	Very high	89.5	Confident	3 Å²	3	31.9 Å²	31.9	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	166	179.6	76.7	0	0	0	0	112.6	V675 R676 C677	S182-V675 PolarHBondContact N-O 2.99Å; S182-R676 WeakPolarHBondContact OG-CD 3.03Å; S182-R676 VanDerWaalsContact OG-CZ 3.3Å; S182-R676 PolarHBondContact OG-NE 3.19Å; S182-R676 PolarHBondContact OG-NH1 3.06Å; S182-C677 PolarHBondContact O-N 3.41Å
183	G	90.3	Very high	89.9	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.1	167.6	-172.6	0	0	0	0	0	112.6	K189 G474 C677	G183-K189 VanDerWaalsContact O-CD 3.24Å; G183-K189 WeakPolarHBondContact O-CD 3.13Å; G183-K189 WeakPolarHBondContact O-CE 3.45Å; G183-K189 PolarHBondContact O-NZ 2.93Å; G183-G474 WeakPolarHBondContact O-CA 2.86Å; G183-G474 PolarHBondContact O-N 3.06Å; G183-C677 WeakPolarHBondContact CA-O 3.35Å
184	E	86.3	Confident	90.3	Very high	11 Å²	11	25 Å²	25	5%	0.051	13%	0.129	C	C	.	.	S	Bend	trans	-68.4	166.1	-179.9	-71.1	-167.2	-152.8	0	0	113.1	G186 A187 K189 R239 Q697	E184-G186 PolarHBondContact O-N 3.26Å; E184-A187 WeakPolarHBondContact O-CB 3.49Å; E184-A187 PolarHBondContact O-N 3Å; E184-A187 VanDerWaalsContact O-N 3.14Å; E184-K189 VanDerWaalsContact C-NZ 3.34Å; E184-K189 PolarHBondContact O-NZ 3.47Å; E184-R239 IonicContact OE2-NH1 2.82Å; E184-R239 PolarHBondContact OE2-NH1 3.39Å; E184-Q697 HydrophobicContact CG-CG 4.28Å; E184-Q697 WeakPolarHBondContact OE1-CG 3.45Å
185	S	84.6	Confident	90.8	Very high	7 Å²	7	20.2 Å²	20.2	5%	0.049	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	127.5	173.8	-174	0	0	0	0	111.2	N240 S243	S185-N240 WeakPolarHBondContact OG-CB 3.4Å; S185-S243 PolarHBondContact OG-OG 3.15Å
186	G	84.7	Confident	91.2	Very high	9 Å²	9	16 Å²	16	9%	0.093	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-2	-176.6	0	0	0	0	0	115.3	N131 E184 G188	N131-G186 PolarHBondContact ND2-O 3.27Å; E184-G186 PolarHBondContact O-N 3.26Å; G186-G188 PolarHBondContact O-N 3.29Å
187	A	89	Confident	91.1	Very high	2 Å²	2	14.5 Å²	14.5	2%	0.017	8%	0.082	C	C	.	.	S	Bend	trans	-74.3	-4.3	-179.6	0	0	0	0	0	114.9	N131 E184 C677 K679	N131-A187 WeakPolarHBondContact CB-O 3.43Å; E184-A187 WeakPolarHBondContact O-CB 3.49Å; E184-A187 PolarHBondContact O-N 3Å; E184-A187 VanDerWaalsContact O-N 3.14Å; A187-C677 HydrophobicContact CB-CB 3.82Å; A187-C677 WeakPolarHBondContact CB-O 3.47Å; A187-C677 WeakPolarHBondContact O-CB 3.21Å; A187-K679 HydrophobicContact CB-CB 4.42Å
188	G	89.9	Confident	90.8	Very high	17 Å²	17	16 Å²	16	18%	0.175	9%	0.09	C	C	.	.	S	Bend	trans	91.1	17.9	-180	0	0	0	0	0	115.6	G186 S192	G186-G188 PolarHBondContact O-N 3.29Å; G188-S192 WeakPolarHBondContact O-CB 3.47Å; G188-S192 PolarHBondContact O-N 2.92Å; G188-S192 PolarHBondContact O-OG 3.46Å
189	K	91.3	Very high	90.5	Very high	25 Å²	25	16.4 Å²	16.4	11%	0.109	9%	0.091	C	C	.	.	H	α-helix	trans	-54.4	-59.4	178.6	-64.6	-171.1	-66.7	-69.6	0	113.6	V181 G183 E184 V191 S192 A193 D471 I472 C677	V181-K189 HydrophobicContact CG1-CB 4.06Å; V181-K189 HydrophobicContact CG1-CG 4.48Å; G183-K189 VanDerWaalsContact O-CD 3.24Å; G183-K189 WeakPolarHBondContact O-CD 3.13Å; G183-K189 WeakPolarHBondContact O-CE 3.45Å; G183-K189 PolarHBondContact O-NZ 2.93Å; E184-K189 VanDerWaalsContact C-NZ 3.34Å; E184-K189 PolarHBondContact O-NZ 3.47Å; K189-V191 VanDerWaalsContact C-N 3.26Å; K189-V191 PolarHBondContact O-N 3.15Å; K189-S192 WeakPolarHBondContact O-CA 3.47Å; K189-S192 WeakPolarHBondContact O-CB 3.31Å; K189-S192 PolarHBondContact O-N 3.08Å; K189-A193 PolarHBondContact O-N 3.39Å; K189-D471 WeakPolarHBondContact CB-OD1 3.35Å; K189-I472 WeakPolarHBondContact CD-O 3.35Å; K189-I472 VanDerWaalsContact CE-O 3.32Å; K189-I472 WeakPolarHBondContact CE-O 3.26Å; K189-C677 HydrophobicContact CG-CB 3.93Å
190	T	88.8	Confident	90.2	Very high	25 Å²	25	16.5 Å²	16.5	15%	0.153	9%	0.092	C	C	.	.	H	α-helix	trans	-63.2	-35.1	-174.1	-51.2	0	0	0	0	111.8	K194 D471	T190-K194 VanDerWaalsContact O-CB 3.27Å; T190-K194 WeakPolarHBondContact O-CB 3.29Å; T190-K194 PolarHBondContact O-N 2.93Å; T190-D471 VanDerWaalsContact CA-OD2 3.31Å; T190-D471 WeakPolarHBondContact CA-OD2 3.39Å; T190-D471 WeakPolarHBondContact CB-OD2 3.38Å; T190-D471 PolarHBondContact OG1-OD2 3.2Å
191	V	90	Very high	89.6	Confident	80 Å²	80	16.5 Å²	16.5	49%	0.485	9%	0.091	S	C	.	.	H	α-helix	trans	-67	-45	173.3	-179.5	0	0	0	0	111	K189 A193 K194 H195	K189-V191 VanDerWaalsContact C-N 3.26Å; K189-V191 PolarHBondContact O-N 3.15Å; V191-A193 PolarHBondContact O-N 2.92Å; V191-K194 WeakPolarHBondContact O-CB 3.44Å; V191-K194 PolarHBondContact O-N 3.28Å; V191-H195 WeakPolarHBondContact CG1-NE2 3.35Å; V191-H195 PolarHBondContact O-CD2 2.76Å; V191-H195 PolarHBondContact O-N 2.77Å
192	S	93.3	Very high	88.7	Confident	8 Å²	8	19.7 Å²	19.7	6%	0.056	11%	0.106	C	C	.	.	H	α-helix	trans	-61.7	-45.3	176.2	-56	0	0	0	0	111.5	G188 K189 K194 H195 V196	G188-S192 WeakPolarHBondContact O-CB 3.47Å; G188-S192 PolarHBondContact O-N 2.92Å; G188-S192 PolarHBondContact O-OG 3.46Å; K189-S192 WeakPolarHBondContact O-CA 3.47Å; K189-S192 WeakPolarHBondContact O-CB 3.31Å; K189-S192 PolarHBondContact O-N 3.08Å; S192-K194 VanDerWaalsContact C-N 3.32Å; S192-K194 PolarHBondContact O-N 2.59Å; S192-H195 PolarHBondContact O-N 3.42Å; S192-V196 WeakPolarHBondContact O-CG2 3.31Å; S192-V196 PolarHBondContact O-N 3.29Å; S192-V196 VanDerWaalsContact O-N 3.07Å
193	A	92.4	Very high	87.5	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.7	-41.7	174.7	0	0	0	0	0	111.4	V181 K189 V191 H195 V196 M197 V469 D471	V181-A193 HydrophobicContact CB-CB 4.49Å; V181-A193 HydrophobicContact CG2-CB 4.14Å; K189-A193 PolarHBondContact O-N 3.39Å; V191-A193 PolarHBondContact O-N 2.92Å; A193-H195 PolarHBondContact O-N 2.94Å; A193-V196 WeakPolarHBondContact O-CB 3.13Å; A193-V196 PolarHBondContact O-N 2.91Å; A193-M197 HydrophobicContact CB-CE 4.44Å; A193-M197 WeakPolarHBondContact O-CE 3.31Å; A193-M197 VanDerWaalsContact O-CG 3.32Å; A193-M197 WeakPolarHBondContact O-CG 3.45Å; A193-M197 PolarHBondContact O-N 3.22Å; A193-V469 HydrophobicContact CB-CG1 4.1Å; A193-D471 HydrophobicContact CB-CB 4.08Å
194	K	90.6	Very high	86.1	Confident	90 Å²	90	22 Å²	22	39%	0.391	13%	0.127	S	C	.	.	H	α-helix	trans	-57.5	-46.8	174.9	-175.7	-178.1	177.6	-175.4	0	111.8	T190 V191 S192 V196 M197 E198	T190-K194 VanDerWaalsContact O-CB 3.27Å; T190-K194 WeakPolarHBondContact O-CB 3.29Å; T190-K194 PolarHBondContact O-N 2.93Å; V191-K194 WeakPolarHBondContact O-CB 3.44Å; V191-K194 PolarHBondContact O-N 3.28Å; S192-K194 VanDerWaalsContact C-N 3.32Å; S192-K194 PolarHBondContact O-N 2.59Å; K194-V196 VanDerWaalsContact C-N 3.35Å; K194-V196 PolarHBondContact O-N 3.38Å; K194-M197 HydrophobicContact CB-CE 4.4Å; K194-M197 PolarHBondContact O-N 3.43Å; K194-E198 WeakPolarHBondContact CE-OE1 3.49Å; K194-E198 HydrophobicContact CG-CG 4.46Å; K194-E198 WeakPolarHBondContact O-CB 3.25Å; K194-E198 WeakPolarHBondContact O-CG 3.21Å; K194-E198 PolarHBondContact O-N 2.87Å
195	H	92.1	Very high	84.7	Confident	22 Å²	22	23.3 Å²	23.3	10%	0.102	14%	0.138	C	C	.	.	H	α-helix	trans	-66.2	-34.3	177.7	-67.4	-45.1	0	0	0	113.5	Y139 I159 Y160 V191 S192 A193 E198 Y199	Y139-H195 HydrophobicContact CD1-CB 4.29Å; Y139-H195 AromaticContact CD1-CD2 3.51Å; Y139-H195 AromaticContact CD1-CE1 3.85Å; Y139-H195 AromaticContact CD1-CG 3.64Å; Y139-H195 AromaticContact CD1-ND1 3.87Å; Y139-H195 AromaticContact CD1-NE2 3.66Å; Y139-H195 AromaticContact CD2-CE1 3.81Å; Y139-H195 AromaticContact CD2-NE2 3.51Å; Y139-H195 HydrophobicContact CE1-CB 4.38Å; Y139-H195 AromaticContact CE1-CD2 3.28Å; Y139-H195 WeakPolarHBondContact CE1-CD2 3.3Å; Y139-H195 AromaticContact CE1-CG 3.81Å; Y139-H195 AromaticContact CE1-NE2 3.67Å; Y139-H195 AromaticContact CE2-CD2 3.98Å; Y139-H195 AromaticContact CE2-NE2 3.51Å; Y139-H195 AromaticContact CG-CD2 3.94Å; Y139-H195 AromaticContact CG-CE1 3.56Å; Y139-H195 AromaticContact CG-ND1 3.96Å; Y139-H195 AromaticContact CG-NE2 3.57Å; Y139-H195 AromaticContact CZ-CD2 3.52Å; Y139-H195 AromaticContact CZ-NE2 3.58Å; I159-H195 HydrophobicContact CG2-CB 4.14Å; Y160-H195 HydrophobicContact CE1-CB 4.21Å; V191-H195 WeakPolarHBondContact CG1-NE2 3.35Å; V191-H195 PolarHBondContact O-CD2 2.76Å; V191-H195 PolarHBondContact O-N 2.77Å; S192-H195 PolarHBondContact O-N 3.42Å; A193-H195 PolarHBondContact O-N 2.94Å; H195-E198 IonicContact CE1-OE2 3.02Å; H195-E198 IonicContact ND1-OE2 3.72Å; H195-E198 PolarHBondContact ND1-OE2 3.27Å; H195-Y199 VanDerWaalsContact O-CB 3.24Å; H195-Y199 WeakPolarHBondContact O-CB 3.26Å; H195-Y199 PolarHBondContact O-N 3.43Å
196	V	92.8	Very high	83.1	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-47.9	170.7	172.7	0	0	0	0	110.4	I159 A163 I179 S192 A193 K194 Y199 L200 V469	I159-V196 HydrophobicContact CD1-CG2 3.62Å; I159-V196 HydrophobicContact CG1-CG2 3.49Å; I159-V196 VanDerWaalsContact CG1-CG2 3.49Å; A163-V196 HydrophobicContact CB-CG1 4.21Å; I179-V196 HydrophobicContact CD1-CG1 3.5Å; I179-V196 VanDerWaalsContact CD1-CG1 3.5Å; S192-V196 WeakPolarHBondContact O-CG2 3.31Å; S192-V196 PolarHBondContact O-N 3.29Å; S192-V196 VanDerWaalsContact O-N 3.07Å; A193-V196 WeakPolarHBondContact O-CB 3.13Å; A193-V196 PolarHBondContact O-N 2.91Å; K194-V196 VanDerWaalsContact C-N 3.35Å; K194-V196 PolarHBondContact O-N 3.38Å; V196-Y199 PolarHBondContact O-N 2.87Å; V196-L200 HydrophobicContact CG1-CD1 3.87Å; V196-L200 HydrophobicContact CG1-CG 4.44Å; V196-L200 WeakPolarHBondContact O-CB 3.41Å; V196-L200 WeakPolarHBondContact O-CG 3.43Å; V196-L200 PolarHBondContact O-N 2.84Å; V196-V469 HydrophobicContact CG1-CG2 3.82Å
197	M	89.3	Confident	81.2	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-62.7	-45.8	179.7	-68.6	-178.4	-68.7	0	0	111.7	A193 K194 Y199 L200 A201 N226 L250 V469	A193-M197 HydrophobicContact CB-CE 4.44Å; A193-M197 WeakPolarHBondContact O-CE 3.31Å; A193-M197 VanDerWaalsContact O-CG 3.32Å; A193-M197 WeakPolarHBondContact O-CG 3.45Å; A193-M197 PolarHBondContact O-N 3.22Å; K194-M197 HydrophobicContact CB-CE 4.4Å; K194-M197 PolarHBondContact O-N 3.43Å; M197-Y199 PolarHBondContact O-N 3.38Å; M197-L200 PolarHBondContact O-N 3.47Å; M197-A201 VanDerWaalsContact O-CB 3.23Å; M197-A201 WeakPolarHBondContact O-CB 3.43Å; M197-A201 PolarHBondContact O-N 3.47Å; M197-N226 WeakPolarHBondContact CE-ND2 3.46Å; M197-L250 HydrophobicContact CG-CD2 4.16Å; M197-L250 HydrophobicContact SD-CB 4.36Å; M197-L250 HydrophobicContact SD-CD2 3.37Å; M197-L250 WeakPolarHBondContact SD-CD2 3.38Å; M197-L250 HydrophobicContact SD-CG 4.49Å; M197-V469 HydrophobicContact CG-CB 4.43Å; M197-V469 HydrophobicContact CG-CG1 4.42Å; M197-V469 HydrophobicContact CG-CG2 4.25Å
198	E	87.8	Confident	79	Confident	32 Å²	32	46.1 Å²	46.1	15%	0.15	23%	0.233	C	C	.	.	H	α-helix	trans	-58.2	-45.7	174.8	-76.7	169.2	175.9	0	0	111.9	K194 H195 A201 Q202 L223	K194-E198 WeakPolarHBondContact CE-OE1 3.49Å; K194-E198 HydrophobicContact CG-CG 4.46Å; K194-E198 WeakPolarHBondContact O-CB 3.25Å; K194-E198 WeakPolarHBondContact O-CG 3.21Å; K194-E198 PolarHBondContact O-N 2.87Å; H195-E198 IonicContact CE1-OE2 3.02Å; H195-E198 IonicContact ND1-OE2 3.72Å; H195-E198 PolarHBondContact ND1-OE2 3.27Å; E198-A201 PolarHBondContact O-N 2.91Å; E198-Q202 VanDerWaalsContact O-CB 3.31Å; E198-Q202 WeakPolarHBondContact O-CB 3.36Å; E198-Q202 WeakPolarHBondContact O-CG 3.45Å; E198-Q202 PolarHBondContact O-N 3.49Å; E198-L223 HydrophobicContact CB-CD2 4.46Å; E198-L223 HydrophobicContact CG-CD2 3.42Å; E198-L223 VanDerWaalsContact CG-CD2 3.42Å
199	Y	89.6	Confident	76.6	Confident	8 Å²	8	48.6 Å²	48.6	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-47.3	179.6	-175.2	-91.9	0	0	0	111.8	K144 C148 Y160 A163 E164 H195 V196 M197 G203	K144-Y199 HydrophobicContact CB-CD2 4.22Å; K144-Y199 HydrophobicContact CB-CE2 4.18Å; K144-Y199 HydrophobicContact CG-CD2 4.12Å; C148-Y199 VanDerWaalsContact CA-OH 3.26Å; C148-Y199 WeakPolarHBondContact CA-OH 3.49Å; C148-Y199 PolarHBondContact N-OH 3.33Å; C148-Y199 VanDerWaalsContact N-OH 3.14Å; Y160-Y199 AromaticContact CD1-CD2 3.37Å; Y160-Y199 HydrophobicContact CD1-CD2 3.37Å; Y160-Y199 HydrophobicContact CD1-CE2 4.18Å; Y160-Y199 AromaticContact CD1-CG 3.71Å; Y160-Y199 HydrophobicContact CD1-CG 3.71Å; Y160-Y199 HydrophobicContact CD2-CD2 4.09Å; Y160-Y199 HydrophobicContact CD2-CE2 4.28Å; Y160-Y199 AromaticContact CE1-CD2 3.93Å; Y160-Y199 HydrophobicContact CE1-CD2 3.93Å; Y160-Y199 HydrophobicContact CE1-CG 4.31Å; Y160-Y199 AromaticContact CG-CD2 3.47Å; Y160-Y199 HydrophobicContact CG-CD2 3.47Å; Y160-Y199 VanDerWaalsContact CG-CD2 3.47Å; Y160-Y199 AromaticContact CG-CE2 3.8Å; Y160-Y199 HydrophobicContact CG-CE2 3.8Å; Y160-Y199 HydrophobicContact CG-CG 4.17Å; A163-Y199 HydrophobicContact CB-CD1 3.45Å; A163-Y199 VanDerWaalsContact CB-CD1 3.45Å; A163-Y199 HydrophobicContact CB-CE1 4.05Å; A163-Y199 HydrophobicContact CB-CG 4.15Å; E164-Y199 HydrophobicContact CB-CE1 3.97Å; E164-Y199 PolarHBondContact OE2-OH 2.9Å; H195-Y199 VanDerWaalsContact O-CB 3.24Å; H195-Y199 WeakPolarHBondContact O-CB 3.26Å; H195-Y199 PolarHBondContact O-N 3.43Å; V196-Y199 PolarHBondContact O-N 2.87Å; M197-Y199 PolarHBondContact O-N 3.38Å; Y199-G203 WeakPolarHBondContact O-CA 3.32Å; Y199-G203 PolarHBondContact O-N 2.95Å
200	L	88.9	Confident	73.9	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-67.5	-37.6	179.4	-68.8	175.1	0	0	0	111.9	A163 F167 I179 V196 M197 C204 L252 I467 V469	A163-L200 HydrophobicContact CB-CD2 4.25Å; A163-L200 HydrophobicContact CB-CG 4.3Å; F167-L200 HydrophobicContact CB-CD2 4.19Å; I179-L200 HydrophobicContact CD1-CD1 4.45Å; V196-L200 HydrophobicContact CG1-CD1 3.87Å; V196-L200 HydrophobicContact CG1-CG 4.44Å; V196-L200 WeakPolarHBondContact O-CB 3.41Å; V196-L200 WeakPolarHBondContact O-CG 3.43Å; V196-L200 PolarHBondContact O-N 2.84Å; M197-L200 PolarHBondContact O-N 3.47Å; L200-C204 WeakPolarHBondContact O-CB 3.34Å; L200-C204 PolarHBondContact O-SG 3.43Å; L200-L252 HydrophobicContact CB-CD1 3.7Å; L200-L252 HydrophobicContact CD1-CD1 3.82Å; L200-L252 HydrophobicContact CG-CD1 4.43Å; L200-I467 HydrophobicContact CD1-CB 4.34Å; L200-I467 HydrophobicContact CD1-CD1 4.37Å; L200-I467 HydrophobicContact CD1-CG2 3.82Å; L200-I467 HydrophobicContact CD2-CD1 3.95Å; L200-V469 HydrophobicContact CD1-CG2 4.48Å
201	A	83.3	Confident	71.5	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-69.1	-49.7	178.2	0	0	0	0	0	112.4	M197 E198 S205 D219 L260	M197-A201 VanDerWaalsContact O-CB 3.23Å; M197-A201 WeakPolarHBondContact O-CB 3.43Å; M197-A201 PolarHBondContact O-N 3.47Å; E198-A201 PolarHBondContact O-N 2.91Å; A201-S205 PolarHBondContact O-N 3.02Å; A201-S205 PolarHBondContact O-OG 3.35Å; A201-D219 HydrophobicContact CB-CB 3.93Å; A201-L260 HydrophobicContact CB-CD2 4.13Å
202	Q	76.7	Confident	68.9	Low	67 Å²	67	57.3 Å²	57.3	31%	0.313	33%	0.327	S	S	.	.	H	α-helix	trans	-79	-39.8	-175.5	-65.6	174.4	-4.6	0	0	112.8	E198 C204 S205	E198-Q202 VanDerWaalsContact O-CB 3.31Å; E198-Q202 WeakPolarHBondContact O-CB 3.36Å; E198-Q202 WeakPolarHBondContact O-CG 3.45Å; E198-Q202 PolarHBondContact O-N 3.49Å; Q202-C204 PolarHBondContact O-N 3.4Å; Q202-S205 PolarHBondContact O-N 2.89Å
203	G	64.9	Low	66.4	Low	31 Å²	31	61.4 Å²	61.4	32%	0.32	35%	0.351	S	S	.	.	H	α-helix	trans	-61.9	-26	-179.3	0	0	0	0	0	113.3	Y199	Y199-G203 WeakPolarHBondContact O-CA 3.32Å; Y199-G203 PolarHBondContact O-N 2.95Å
204	C	61.9	Low	64.3	Low	20 Å²	20	66.7 Å²	66.7	14%	0.135	40%	0.395	C	S	.	.	H	α-helix	trans	-92.7	-28.5	179.9	-58.8	0	0	0	0	113.5	F167 L200 Q202 M206 F254	F167-C204 WeakPolarHBondContact CE2-SG 3.44Å; L200-C204 WeakPolarHBondContact O-CB 3.34Å; L200-C204 PolarHBondContact O-SG 3.43Å; Q202-C204 PolarHBondContact O-N 3.4Å; C204-M206 PolarHBondContact O-N 3.08Å; C204-F254 HydrophobicContact CB-CE1 4.26Å
205	S	56.2	Low	63	Low	40 Å²	40	68.3 Å²	68.3	28%	0.28	41%	0.408	S	S	.	.	H	α-helix	trans	-80.7	-7.6	-174.9	-81	0	0	0	0	115.8	A201 Q202 K207 R208	A201-S205 PolarHBondContact O-N 3.02Å; A201-S205 PolarHBondContact O-OG 3.35Å; Q202-S205 PolarHBondContact O-N 2.89Å; S205-K207 PolarHBondContact O-N 3.09Å; S205-R208 PolarHBondContact O-N 3.49Å; S205-R208 VanDerWaalsContact O-N 3.13Å
206	M	50.6	Low	61.7	Low	148 Å²	148	69.8 Å²	69.8	73%	0.729	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-3.5	-178	-83	-133.1	-170.9	0	0	116	C204	C204-M206 PolarHBondContact O-N 3.08Å
207	K	45.8	Very low	60.9	Low	179 Å²	179	73.4 Å²	73.4	78%	0.778	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-0.9	176.7	-78.7	-162.9	173	-169.8	0	116.6	S205	S205-K207 PolarHBondContact O-N 3.09Å
208	R	42.8	Very low	60.3	Low	170 Å²	170	74.6 Å²	74.6	64%	0.642	45%	0.448	S	S	*	.			trans	-101.7	105.4	172.9	-69.3	-165.9	-178.6	-176.5	4.4	110.8	S205	S205-R208 PolarHBondContact O-N 3.49Å; S205-R208 VanDerWaalsContact O-N 3.13Å
209	G	38.9	Very low	59.9	Low	68 Å²	68	74.9 Å²	74.9	70%	0.701	45%	0.45	S	S	*	.			trans	-57.1	138.3	154	0	0	0	0	0	108.4	S211	G209-S211 PolarHBondContact O-N 2.86Å
210	S	36	Very low	59.5	Low	123 Å²	123	77.4 Å²	77.4	86%	0.86	47%	0.467	S	S	*	.			trans	-30.3	92.3	176.7	-178.1	0	0	0	0	112.8
211	S	36.9	Very low	59.2	Low	71 Å²	71	78.6 Å²	78.6	50%	0.497	47%	0.472	S	S	.	.			trans	-89.5	111.9	169.3	55.6	0	0	0	0	106.5	G209 T213	G209-S211 PolarHBondContact O-N 2.86Å; S211-T213 PolarHBondContact O-N 3.27Å
212	S	36.1	Very low	59.2	Low	120 Å²	120	78.6 Å²	78.6	84%	0.839	47%	0.472	S	S	*	.			trans	-71.2	40.6	-170.6	56.2	0	0	0	0	115.2
213	T	40.7	Very low	59.5	Low	93 Å²	93	77.8 Å²	77.8	57%	0.571	47%	0.47	S	S	*	.			trans	-77	130.4	164.3	48.8	0	0	0	0	107.3	S211 D215	S211-T213 PolarHBondContact O-N 3.27Å; T213-D215 PolarHBondContact O-N 2.85Å
214	A	48.9	Very low	60.5	Low	112 Å²	112	76.9 Å²	76.9	93%	0.926	46%	0.459	S	S	*	.	S	Bend	trans	-61.5	11.2	-178.8	0	0	0	0	0	114.9
215	D	62.5	Low	61.7	Low	124 Å²	124	76.1 Å²	76.1	66%	0.663	45%	0.454	S	S	*	.	S	Bend	trans	-90.5	132.7	178.4	-64.7	-33.8	0	0	0	110.1	T213	T213-D215 PolarHBondContact O-N 2.85Å
216	V	66	Low	63.2	Low	53 Å²	53	74.7 Å²	74.7	32%	0.321	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-56.8	129.3	175.6	179.8	0	0	0	0	109.2	V220 Q221 I341	V216-V220 HydrophobicContact CG1-CB 3.77Å; V216-V220 HydrophobicContact CG1-CG1 3.58Å; V216-Q221 HydrophobicContact CB-CG 4.23Å; V216-Q221 HydrophobicContact CG1-CG 4.04Å; V216-Q221 PolarHBondContact O-NE2 2.92Å; V216-I341 HydrophobicContact CB-CG2 4.43Å; V216-I341 HydrophobicContact CG1-CG2 4.01Å
217	P	74.5	Confident	65.1	Low	75 Å²	75	69.9 Å²	69.9	49%	0.487	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-53.3	140.7	179.5	-27.4	34.7	0	0	0	112.7	D219 V220 Q221	P217-D219 WeakPolarHBondContact CB-OD1 3.21Å; P217-D219 PolarHBondContact O-N 2.72Å; P217-V220 HydrophobicContact CB-CB 4.46Å; P217-V220 HydrophobicContact CB-CG2 4.1Å; P217-V220 HydrophobicContact CG-CG2 4.3Å; P217-V220 WeakPolarHBondContact O-CA 3.32Å; P217-V220 WeakPolarHBondContact O-CB 3.26Å; P217-V220 PolarHBondContact O-N 3.49Å; P217-Q221 PolarHBondContact O-N 3.48Å
218	I	78.2	Confident	67.3	Low	31 Å²	31	61.4 Å²	61.4	16%	0.159	39%	0.386	C	S	.	.	H	α-helix	trans	-59.7	-33.4	-174.3	-169.9	61.1	0	0	0	113.1	Q221 I222 L260 L455	I218-Q221 HydrophobicContact CD1-CB 4.49Å; I218-Q221 PolarHBondContact O-N 3.24Å; I218-I222 HydrophobicContact CG1-CD1 4.06Å; I218-I222 WeakPolarHBondContact O-CD1 3.3Å; I218-I222 VanDerWaalsContact O-CG1 3.32Å; I218-I222 WeakPolarHBondContact O-CG1 3.39Å; I218-I222 PolarHBondContact O-N 3.43Å; I218-L260 HydrophobicContact CG2-CD2 4.25Å; I218-L260 HydrophobicContact CG2-CG 4.24Å; I218-L455 HydrophobicContact CD1-CD2 4.06Å
219	D	78.1	Confident	69.7	Low	37 Å²	37	53.4 Å²	53.4	20%	0.198	36%	0.356	C	S	.	.	H	α-helix	trans	-64.6	-40.1	174.2	57.6	-44.9	0	0	0	111.5	A201 P217 I222 L223	A201-D219 HydrophobicContact CB-CB 3.93Å; P217-D219 WeakPolarHBondContact CB-OD1 3.21Å; P217-D219 PolarHBondContact O-N 2.72Å; D219-I222 PolarHBondContact O-N 2.95Å; D219-L223 WeakPolarHBondContact O-CG 3.33Å; D219-L223 PolarHBondContact O-N 3.06Å
220	V	80.9	Confident	72.2	Confident	61 Å²	61	52 Å²	52	37%	0.37	33%	0.331	S	S	.	.	H	α-helix	trans	-65.3	-40.8	173.4	177.9	0	0	0	0	110.9	V216 P217 L223 A224	V216-V220 HydrophobicContact CG1-CB 3.77Å; V216-V220 HydrophobicContact CG1-CG1 3.58Å; P217-V220 HydrophobicContact CB-CB 4.46Å; P217-V220 HydrophobicContact CB-CG2 4.1Å; P217-V220 HydrophobicContact CG-CG2 4.3Å; P217-V220 WeakPolarHBondContact O-CA 3.32Å; P217-V220 WeakPolarHBondContact O-CB 3.26Å; P217-V220 PolarHBondContact O-N 3.49Å; V220-L223 PolarHBondContact O-N 3.05Å; V220-A224 WeakPolarHBondContact O-CB 3.35Å; V220-A224 PolarHBondContact O-N 2.94Å
221	Q	83.7	Confident	75	Confident	27 Å²	27	46.2 Å²	46.2	13%	0.126	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-50.1	175.9	-60.7	-177.7	19.1	0	0	111.2	V216 P217 I218 L223 A224 C225 I341 Y342 L455	V216-Q221 HydrophobicContact CB-CG 4.23Å; V216-Q221 HydrophobicContact CG1-CG 4.04Å; V216-Q221 PolarHBondContact O-NE2 2.92Å; P217-Q221 PolarHBondContact O-N 3.48Å; I218-Q221 HydrophobicContact CD1-CB 4.49Å; I218-Q221 PolarHBondContact O-N 3.24Å; Q221-L223 VanDerWaalsContact C-N 3.26Å; Q221-L223 PolarHBondContact O-N 2.79Å; Q221-A224 CarbonylContact O-C 3.55Å; Q221-A224 PolarHBondContact O-N 3.26Å; Q221-A224 VanDerWaalsContact O-N 3.07Å; Q221-C225 PolarHBondContact O-N 2.89Å; Q221-I341 HydrophobicContact CB-CG2 4.5Å; Q221-I341 HydrophobicContact CG-CG2 4.02Å; Q221-Y342 HydrophobicContact CB-CE1 4.47Å; Q221-Y342 PolarHBondContact O-OH 2.88Å; Q221-L455 HydrophobicContact CB-CD2 3.76Å
222	I	83.8	Confident	77.9	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-56.5	-41	177.6	-72.4	159.7	0	0	0	111.4	I218 D219 C225 L250 L252 L260 A263 L455	I218-I222 HydrophobicContact CG1-CD1 4.06Å; I218-I222 WeakPolarHBondContact O-CD1 3.3Å; I218-I222 VanDerWaalsContact O-CG1 3.32Å; I218-I222 WeakPolarHBondContact O-CG1 3.39Å; I218-I222 PolarHBondContact O-N 3.43Å; D219-I222 PolarHBondContact O-N 2.95Å; I222-C225 WeakPolarHBondContact O-CB 3.49Å; I222-C225 PolarHBondContact O-N 3.18Å; I222-L250 HydrophobicContact CG2-CD2 3.94Å; I222-L252 HydrophobicContact CD1-CD2 3.72Å; I222-L252 HydrophobicContact CG1-CD2 4.28Å; I222-L252 HydrophobicContact CG2-CD2 4.3Å; I222-L260 HydrophobicContact CD1-CD1 4.36Å; I222-L260 HydrophobicContact CD1-CD2 3.66Å; I222-L260 HydrophobicContact CD1-CG 4.33Å; I222-A263 HydrophobicContact CD1-CB 4.07Å; I222-A263 HydrophobicContact CG1-CB 3.9Å; I222-L455 HydrophobicContact CG1-CD2 4.25Å
223	L	82.6	Confident	80.6	Confident	50 Å²	50	37.2 Å²	37.2	26%	0.262	23%	0.228	S	C	.	.	H	α-helix	trans	-69.9	-37.8	177.7	-66.5	173.7	0	0	0	112.5	E198 D219 V220 Q221 C225 N226 P227	E198-L223 HydrophobicContact CB-CD2 4.46Å; E198-L223 HydrophobicContact CG-CD2 3.42Å; E198-L223 VanDerWaalsContact CG-CD2 3.42Å; D219-L223 WeakPolarHBondContact O-CG 3.33Å; D219-L223 PolarHBondContact O-N 3.06Å; V220-L223 PolarHBondContact O-N 3.05Å; Q221-L223 VanDerWaalsContact C-N 3.26Å; Q221-L223 PolarHBondContact O-N 2.79Å; L223-C225 PolarHBondContact O-N 3.12Å; L223-N226 PolarHBondContact O-N 2.87Å; L223-P227 VanDerWaalsContact O-CD 3.27Å; L223-P227 WeakPolarHBondContact O-CD 3.08Å
224	A	86	Confident	83.1	Confident	12 Å²	12	32.8 Å²	32.8	10%	0.099	20%	0.201	C	C	.	.	H	α-helix	trans	-68.4	-18.4	174.7	0	0	0	0	0	113.4	V220 Q221 N226 P227 A338 I341	V220-A224 WeakPolarHBondContact O-CB 3.35Å; V220-A224 PolarHBondContact O-N 2.94Å; Q221-A224 CarbonylContact O-C 3.55Å; Q221-A224 PolarHBondContact O-N 3.26Å; Q221-A224 VanDerWaalsContact O-N 3.07Å; A224-N226 VanDerWaalsContact C-N 3.27Å; A224-N226 PolarHBondContact O-N 3.48Å; A224-P227 WeakPolarHBondContact O-CD 3.41Å; A224-A338 HydrophobicContact CB-CB 4.49Å; A224-I341 HydrophobicContact CB-CD1 3.71Å; A224-I341 HydrophobicContact CB-CG2 4.26Å
225	C	87.1	Confident	85.2	Confident	4 Å²	4	27.5 Å²	27.5	3%	0.027	16%	0.157	C	C	.	.	H	α-helix	trans	-58	-39.4	174	-169.1	0	0	0	0	112.4	Q221 I222 L223 I229 Y342	Q221-C225 PolarHBondContact O-N 2.89Å; I222-C225 WeakPolarHBondContact O-CB 3.49Å; I222-C225 PolarHBondContact O-N 3.18Å; L223-C225 PolarHBondContact O-N 3.12Å; C225-I229 WeakPolarHBondContact O-CB 3.11Å; C225-I229 VanDerWaalsContact O-CG1 3.3Å; C225-I229 WeakPolarHBondContact O-CG1 3.24Å; C225-I229 PolarHBondContact O-N 2.94Å; C225-Y342 WeakPolarHBondContact CA-OH 3.43Å; C225-Y342 WeakPolarHBondContact CB-OH 3.35Å; C225-Y342 PolarHBondContact N-OH 3.33Å
226	N	87.6	Confident	86.5	Confident	9 Å²	9	23.1 Å²	23.1	5%	0.048	13%	0.132	C	C	.	.	H	α-helix	trans	-66.8	-55.5	-174	-75.1	-38.8	0	0	0	111.9	M197 L223 A224 L228 I229 E230 K248	M197-N226 WeakPolarHBondContact CE-ND2 3.46Å; L223-N226 PolarHBondContact O-N 2.87Å; A224-N226 VanDerWaalsContact C-N 3.27Å; A224-N226 PolarHBondContact O-N 3.48Å; N226-L228 VanDerWaalsContact C-N 3.27Å; N226-L228 PolarHBondContact O-N 3.28Å; N226-I229 PolarHBondContact O-N 3.33Å; N226-E230 VanDerWaalsContact O-CB 3.25Å; N226-E230 WeakPolarHBondContact O-CB 3.41Å; N226-E230 WeakPolarHBondContact O-CG 3.5Å; N226-E230 PolarHBondContact O-N 3.01Å; N226-K248 PolarHBondContact OD1-NZ 3.27Å
227	P	89.1	Confident	87.5	Confident	47 Å²	47	20.9 Å²	20.9	31%	0.305	12%	0.119	S	C	.	.	H	α-helix	trans	-53.7	-42.5	177.6	-27.1	33.9	0	0	0	113.6	L223 A224 A231	L223-P227 VanDerWaalsContact O-CD 3.27Å; L223-P227 WeakPolarHBondContact O-CD 3.08Å; A224-P227 WeakPolarHBondContact O-CD 3.41Å; P227-A231 PolarHBondContact O-N 2.8Å
228	L	93	Very high	87.8	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-61.3	-55	178.9	175.2	56.8	0	0	0	111.6	N226 E230 A231 F232 T335 A338 L339 Y342 I447 V451	N226-L228 VanDerWaalsContact C-N 3.27Å; N226-L228 PolarHBondContact O-N 3.28Å; L228-E230 VanDerWaalsContact C-N 3.32Å; L228-E230 PolarHBondContact O-N 3.36Å; L228-A231 WeakPolarHBondContact O-CB 3.28Å; L228-A231 PolarHBondContact O-N 3.43Å; L228-F232 HydrophobicContact CD1-CD2 4.1Å; L228-F232 HydrophobicContact CD1-CE2 3.91Å; L228-F232 WeakPolarHBondContact O-CD2 3.47Å; L228-F232 PolarHBondContact O-N 3.27Å; L228-T335 HydrophobicContact CD1-CG2 4.21Å; L228-A338 HydrophobicContact CB-CB 3.86Å; L228-L339 HydrophobicContact CD1-CD2 3.49Å; L228-L339 VanDerWaalsContact CD1-CD2 3.49Å; L228-L339 HydrophobicContact CD1-CG 3.84Å; L228-L339 HydrophobicContact CD2-CD2 4.3Å; L228-Y342 HydrophobicContact CD2-CD2 3.58Å; L228-Y342 HydrophobicContact CD2-CE2 3.81Å; L228-I447 HydrophobicContact CD1-CG2 4.46Å; L228-I447 HydrophobicContact CD2-CG2 4.25Å; L228-I447 HydrophobicContact CG-CG2 4.38Å; L228-V451 HydrophobicContact CD2-CG2 3.68Å
229	I	92.5	Very high	87.8	Confident	2 Å²	2	24.1 Å²	24.1	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-70.9	-31.9	-176.5	-60.4	-65.3	0	0	0	110.8	C225 N226 A231 F232 G233 F246 L265 F444 V448	C225-I229 WeakPolarHBondContact O-CB 3.11Å; C225-I229 VanDerWaalsContact O-CG1 3.3Å; C225-I229 WeakPolarHBondContact O-CG1 3.24Å; C225-I229 PolarHBondContact O-N 2.94Å; N226-I229 PolarHBondContact O-N 3.33Å; I229-A231 VanDerWaalsContact C-N 3.33Å; I229-A231 PolarHBondContact O-N 2.85Å; I229-F232 PolarHBondContact O-N 3.43Å; I229-G233 WeakPolarHBondContact O-CA 3.34Å; I229-G233 PolarHBondContact O-N 3.5Å; I229-F246 HydrophobicContact CB-CZ 4.48Å; I229-F246 HydrophobicContact CG2-CE1 3.91Å; I229-F246 HydrophobicContact CG2-CE2 3.52Å; I229-F246 HydrophobicContact CG2-CZ 3.08Å; I229-L265 HydrophobicContact CD1-CD2 3.78Å; I229-L265 HydrophobicContact CG1-CD2 3.82Å; I229-F444 HydrophobicContact CG2-CE2 4.31Å; I229-F444 HydrophobicContact CG2-CZ 4.19Å; I229-V448 HydrophobicContact CD1-CG2 4.12Å
230	E	91.8	Very high	88	Confident	39 Å²	39	24.3 Å²	24.3	18%	0.182	13%	0.128	C	C	.	.	H	α-helix	trans	-63.1	-38.4	173.6	-70.9	-178.4	-159.4	0	0	111.6	N226 L228 F232 N234 N242	N226-E230 VanDerWaalsContact O-CB 3.25Å; N226-E230 WeakPolarHBondContact O-CB 3.41Å; N226-E230 WeakPolarHBondContact O-CG 3.5Å; N226-E230 PolarHBondContact O-N 3.01Å; L228-E230 VanDerWaalsContact C-N 3.32Å; L228-E230 PolarHBondContact O-N 3.36Å; E230-F232 VanDerWaalsContact C-N 3.32Å; E230-F232 PolarHBondContact O-N 2.98Å; E230-N234 HydrophobicContact CB-CB 4.38Å; E230-N234 WeakPolarHBondContact CG-ND2 3.5Å; E230-N234 WeakPolarHBondContact O-CA 3.3Å; E230-N234 WeakPolarHBondContact O-CB 3.39Å; E230-N234 PolarHBondContact O-N 2.96Å; E230-N242 PolarHBondContact OE2-ND2 3.4Å
231	A	95.5	Very high	88.1	Confident	2 Å²	2	23.3 Å²	23.3	2%	0.017	12%	0.121	C	C	.	.	H	α-helix	trans	-59.8	-41.9	176.2	0	0	0	0	0	112.5	P227 L228 I229 H286 I287 T335	P227-A231 PolarHBondContact O-N 2.8Å; L228-A231 WeakPolarHBondContact O-CB 3.28Å; L228-A231 PolarHBondContact O-N 3.43Å; I229-A231 VanDerWaalsContact C-N 3.33Å; I229-A231 PolarHBondContact O-N 2.85Å; A231-H286 PolarHBondContact O-N 3.25Å; A231-I287 HydrophobicContact CB-CB 4.45Å; A231-I287 VanDerWaalsContact O-CB 3.3Å; A231-I287 WeakPolarHBondContact O-CB 3.45Å; A231-I287 PolarHBondContact O-N 3.06Å; A231-T335 HydrophobicContact CB-CG2 3.79Å; A231-T335 WeakPolarHBondContact CB-OG1 3.49Å
232	F	96.5	Very high	88.3	Confident	1 Å²	1	25 Å²	25	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-95	-16.3	-176.2	-72.1	-101.8	0	0	0	114.6	L228 I229 E230 Y285 I287 T335 I352 L356 Y440 F444 I447	L228-F232 HydrophobicContact CD1-CD2 4.1Å; L228-F232 HydrophobicContact CD1-CE2 3.91Å; L228-F232 WeakPolarHBondContact O-CD2 3.47Å; L228-F232 PolarHBondContact O-N 3.27Å; I229-F232 PolarHBondContact O-N 3.43Å; E230-F232 VanDerWaalsContact C-N 3.32Å; E230-F232 PolarHBondContact O-N 2.98Å; F232-Y285 WeakPolarHBondContact O-CD1 3.38Å; F232-I287 HydrophobicContact CD1-CG1 4.36Å; F232-I287 HydrophobicContact CD1-CG2 4.17Å; F232-I287 HydrophobicContact CD2-CB 4.48Å; F232-I287 HydrophobicContact CD2-CG1 4.41Å; F232-I287 HydrophobicContact CE1-CG1 3.99Å; F232-I287 HydrophobicContact CE2-CD1 3.87Å; F232-I287 HydrophobicContact CE2-CG1 4.01Å; F232-I287 HydrophobicContact CG-CB 4.45Å; F232-I287 HydrophobicContact CG-CG2 4.39Å; F232-I287 HydrophobicContact CZ-CD1 3.92Å; F232-I287 HydrophobicContact CZ-CG1 3.78Å; F232-T335 HydrophobicContact CE2-CG2 4.04Å; F232-I352 HydrophobicContact CE1-CG2 3.92Å; F232-I352 HydrophobicContact CZ-CG2 3.8Å; F232-L356 HydrophobicContact CE1-CD1 3.75Å; F232-L356 HydrophobicContact CE1-CD2 4.49Å; F232-L356 HydrophobicContact CZ-CD1 4.16Å; F232-Y440 PolarHBondContact O-OH 2.91Å; F232-F444 HydrophobicContact CB-CD2 3.85Å; F232-F444 HydrophobicContact CB-CE2 4.05Å; F232-I447 HydrophobicContact CD1-CD1 3.48Å; F232-I447 VanDerWaalsContact CD1-CD1 3.48Å; F232-I447 HydrophobicContact CD2-CD1 4.29Å; F232-I447 HydrophobicContact CE1-CD1 3.24Å; F232-I447 HydrophobicContact CE2-CD1 4.13Å; F232-I447 HydrophobicContact CG-CD1 4.01Å; F232-I447 HydrophobicContact CZ-CD1 3.61Å
233	G	93.6	Very high	88.6	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-120.8	-13.8	-172.5	0	0	0	0	0	114.1	I229 R245 F246	I229-G233 WeakPolarHBondContact O-CA 3.34Å; I229-G233 PolarHBondContact O-N 3.5Å; G233-R245 PolarHBondContact O-N 3.28Å; G233-F246 VanDerWaalsContact O-CD1 3.32Å; G233-F246 WeakPolarHBondContact O-CD1 3.42Å
234	N	93.7	Very high	89	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	152.7	178.4	-63	15.9	0	0	0	112.5	E230 N242 S243 S244 Y285 H286	E230-N234 HydrophobicContact CB-CB 4.38Å; E230-N234 WeakPolarHBondContact CG-ND2 3.5Å; E230-N234 WeakPolarHBondContact O-CA 3.3Å; E230-N234 WeakPolarHBondContact O-CB 3.39Å; E230-N234 PolarHBondContact O-N 2.96Å; N234-N242 WeakPolarHBondContact CB-OD1 3.48Å; N234-N242 PolarHBondContact ND2-OD1 3.37Å; N234-S243 VanDerWaalsContact CA-O 3.27Å; N234-S243 WeakPolarHBondContact CA-O 3.48Å; N234-S243 WeakPolarHBondContact CB-O 3.39Å; N234-S244 PolarHBondContact ND2-OG 2.89Å; N234-S244 VanDerWaalsContact OD1-CA 3.23Å; N234-S244 WeakPolarHBondContact OD1-CA 3.46Å; N234-S244 WeakPolarHBondContact OD1-CB 3.47Å; N234-S244 PolarHBondContact OD1-OG 3.28Å; N234-Y285 WeakPolarHBondContact O-CA 3.28Å; N234-H286 VanDerWaalsContact C-CD2 3.5Å; N234-H286 PolarHBondContact O-CD2 2.98Å; N234-H286 PolarHBondContact O-N 2.92Å
235	A	92.6	Very high	89.2	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	163.9	176.9	0	0	0	0	0	112	S243 R245 R274 Y285	A235-S243 PolarHBondContact N-O 2.96Å; A235-S243 WeakPolarHBondContact O-CB 3.44Å; A235-S243 PolarHBondContact O-N 3.35Å; A235-R245 HydrophobicContact CB-CG 4.17Å; A235-R274 VanDerWaalsContact CB-CD 3.48Å; A235-Y285 HydrophobicContact CB-CD1 4.45Å
236	K	90.7	Very high	89.4	Confident	32 Å²	32	25.6 Å²	25.6	14%	0.139	13%	0.131	C	C	.	.			trans	-73.2	129.1	170.5	-176	-174.1	-179.6	100.1	0	110.2	D241 E282 R283 A320 L323	K236-D241 WeakPolarHBondContact CA-O 3.36Å; K236-D241 IonicContact NZ-OD1 2.68Å; K236-D241 PolarHBondContact NZ-OD1 2.9Å; K236-E282 WeakPolarHBondContact O-CA 3.36Å; K236-E282 WeakPolarHBondContact O-CB 3.41Å; K236-R283 HydrophobicContact CB-CB 3.74Å; K236-R283 HydrophobicContact CB-CG 3.93Å; K236-R283 HydrophobicContact CD-CG 4.09Å; K236-R283 PolarHBondContact O-N 3.47Å; K236-R283 VanDerWaalsContact O-N 3.09Å; K236-A320 HydrophobicContact CD-CB 4.27Å; K236-L323 HydrophobicContact CB-CD2 3.96Å; K236-L323 HydrophobicContact CD-CD2 4.03Å; K236-L323 HydrophobicContact CG-CD2 4.12Å
237	T	85	Confident	89.5	Confident	7 Å²	7	25.1 Å²	25.1	4%	0.043	13%	0.129	C	C	.	.			trans	-113.9	168.1	166.5	61.6	0	0	0	0	109.6	R239 N240 E282	T237-R239 PolarHBondContact O-N 3.44Å; T237-R239 VanDerWaalsContact O-N 3.09Å; T237-R239 PolarHBondContact OG1-N 2.83Å; T237-N240 PolarHBondContact N-O 3.43Å; T237-N240 PolarHBondContact O-N 2.78Å; T237-N240 VanDerWaalsContact O-O 3.13Å; T237-N240 PolarHBondContact OG1-N 3.4Å; T237-N240 PolarHBondContact OG1-O 3.41Å; T237-E282 WeakPolarHBondContact CA-OE1 3.36Å; T237-E282 WeakPolarHBondContact CB-OE1 3.43Å
238	N	82	Confident	89.7	Confident	107 Å²	107	23.4 Å²	23.4	57%	0.572	12%	0.117	S	C	*	.	S	Bend	trans	-58.8	-23.3	172.5	-72.2	-36.1	0	0	0	113.2	K280 G281 E282	N238-K280 PolarHBondContact ND2-O 2.84Å; N238-K280 VanDerWaalsContact ND2-O 3.14Å; N238-K280 PolarHBondContact OD1-O 3Å; N238-G281 VanDerWaalsContact OD1-CA 3.28Å; N238-G281 WeakPolarHBondContact OD1-CA 3.25Å; N238-G281 PolarHBondContact OD1-O 3.34Å; N238-E282 PolarHBondContact N-OE1 3.28Å
239	R	78.5	Confident	89.7	Confident	67 Å²	67	23.4 Å²	23.4	25%	0.253	12%	0.117	S	C	.	.	S	Bend	trans	-96.8	-30.1	-176.2	-62.1	-176.9	-179.9	-167.9	1.9	113.8	E184 T237 K684	E184-R239 IonicContact OE2-NH1 2.82Å; E184-R239 PolarHBondContact OE2-NH1 3.39Å; T237-R239 PolarHBondContact O-N 3.44Å; T237-R239 VanDerWaalsContact O-N 3.09Å; T237-R239 PolarHBondContact OG1-N 2.83Å; R239-K684 WeakPolarHBondContact O-CE 3.21Å; R239-K684 PolarHBondContact O-NZ 3.34Å
240	N	82.2	Confident	89.7	Confident	41 Å²	41	23.6 Å²	23.6	22%	0.219	12%	0.118	C	C	.	.			trans	-150.8	136.2	-172.8	-179.4	22	0	0	0	110.3	S185 T237 N242 S243	S185-N240 WeakPolarHBondContact OG-CB 3.4Å; T237-N240 PolarHBondContact N-O 3.43Å; T237-N240 PolarHBondContact O-N 2.78Å; T237-N240 VanDerWaalsContact O-O 3.13Å; T237-N240 PolarHBondContact OG1-N 3.4Å; T237-N240 PolarHBondContact OG1-O 3.41Å; N240-N242 VanDerWaalsContact ND2-C 3.33Å; N240-N242 PolarHBondContact ND2-O 3.4Å; N240-N242 PolarHBondContact OD1-N 2.89Å; N240-S243 WeakPolarHBondContact ND2-CA 3.46Å
241	D	83.2	Confident	89.7	Confident	39 Å²	39	22.5 Å²	22.5	21%	0.209	11%	0.113	C	C	.	.	S	Bend	trans	-77	-26.8	-175.5	-68	-65.2	0	0	0	113.4	K236 H286 L323 K684	K236-D241 WeakPolarHBondContact CA-O 3.36Å; K236-D241 IonicContact NZ-OD1 2.68Å; K236-D241 PolarHBondContact NZ-OD1 2.9Å; D241-H286 PolarHBondContact O-CE1 2.84Å; D241-L323 HydrophobicContact CB-CD2 3.9Å; D241-L323 WeakPolarHBondContact O-CD2 3.41Å; D241-K684 IonicContact OD2-NZ 3.91Å; D241-K684 PolarHBondContact OD2-NZ 3.36Å
242	N	87.8	Confident	89.5	Confident	63 Å²	63	22.4 Å²	22.4	34%	0.337	11%	0.112	S	C	.	.	S	Bend	trans	-128.3	71.6	176.6	-172.3	17.8	0	0	0	109.5	E230 N234 N240 H286	E230-N242 PolarHBondContact OE2-ND2 3.4Å; N234-N242 WeakPolarHBondContact CB-OD1 3.48Å; N234-N242 PolarHBondContact ND2-OD1 3.37Å; N240-N242 VanDerWaalsContact ND2-C 3.33Å; N240-N242 PolarHBondContact ND2-O 3.4Å; N240-N242 PolarHBondContact OD1-N 2.89Å; N242-H286 PolarHBondContact OD1-NE2 2.83Å
243	S	88.8	Confident	89.1	Confident	6 Å²	6	22.9 Å²	22.9	4%	0.042	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.4	-176.8	-167.1	0	0	0	0	110.7	S185 N234 A235 N240 R245	S185-S243 PolarHBondContact OG-OG 3.15Å; N234-S243 VanDerWaalsContact CA-O 3.27Å; N234-S243 WeakPolarHBondContact CA-O 3.48Å; N234-S243 WeakPolarHBondContact CB-O 3.39Å; A235-S243 PolarHBondContact N-O 2.96Å; A235-S243 WeakPolarHBondContact O-CB 3.44Å; A235-S243 PolarHBondContact O-N 3.35Å; N240-S243 WeakPolarHBondContact ND2-CA 3.46Å; S243-R245 WeakPolarHBondContact O-CG 3.39Å; S243-R245 PolarHBondContact O-N 3.42Å
244	S	91.2	Very high	88.8	Confident	28 Å²	28	23 Å²	23	20%	0.196	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	126.7	171.3	-60.3	0	0	0	0	111.1	N234	N234-S244 PolarHBondContact ND2-OG 2.89Å; N234-S244 VanDerWaalsContact OD1-CA 3.23Å; N234-S244 WeakPolarHBondContact OD1-CA 3.46Å; N234-S244 WeakPolarHBondContact OD1-CB 3.47Å; N234-S244 PolarHBondContact OD1-OG 3.28Å
245	R	90.6	Very high	88.1	Confident	39 Å²	39	26.8 Å²	26.8	15%	0.147	13%	0.132	C	C	.	.	S	Bend	trans	-108.5	26.9	-178.7	-51.3	-55.1	-62.1	172.9	-4.2	112.2	G233 A235 S243 E271 Y285	G233-R245 PolarHBondContact O-N 3.28Å; A235-R245 HydrophobicContact CB-CG 4.17Å; S243-R245 WeakPolarHBondContact O-CG 3.39Å; S243-R245 PolarHBondContact O-N 3.42Å; R245-E271 HydrophobicContact CB-CB 4.05Å; R245-E271 IonicContact CZ-OE1 3.63Å; R245-E271 IonicContact CZ-OE2 3.84Å; R245-E271 IonicContact NE-OE1 3.52Å; R245-E271 IonicContact NE-OE2 3.02Å; R245-E271 PolarHBondContact NE-OE2 2.84Å; R245-E271 IonicContact NH2-OE1 2.97Å; R245-E271 PolarHBondContact NH2-OE1 3.34Å; R245-E271 IonicContact NH2-OE2 3.43Å; R245-E271 PolarHBondContact NH2-OE2 2.9Å; R245-E271 PolarHBondContact O-N 3.47Å; R245-Y285 HydrophobicContact CB-CE1 4.07Å; R245-Y285 HydrophobicContact CG-CE1 4.4Å
246	F	91.3	Very high	87.3	Confident	6 Å²	6	32.4 Å²	32.4	3%	0.026	16%	0.159	C	C	.	.	S	Bend	trans	-157.6	155.1	175.4	69.9	-69.1	0	0	0	107.2	I229 G233 K248 T267 Y268 L270 F444	I229-F246 HydrophobicContact CB-CZ 4.48Å; I229-F246 HydrophobicContact CG2-CE1 3.91Å; I229-F246 HydrophobicContact CG2-CE2 3.52Å; I229-F246 HydrophobicContact CG2-CZ 3.08Å; G233-F246 VanDerWaalsContact O-CD1 3.32Å; G233-F246 WeakPolarHBondContact O-CD1 3.42Å; F246-K248 HydrophobicContact CD2-CB 4.46Å; F246-K248 HydrophobicContact CE2-CB 3.78Å; F246-K248 HydrophobicContact CE2-CD 4.46Å; F246-K248 HydrophobicContact CZ-CB 4.46Å; F246-K248 HydrophobicContact CZ-CD 4.34Å; F246-T267 HydrophobicContact CD2-CG2 3.85Å; F246-T267 HydrophobicContact CE2-CG2 3.86Å; F246-Y268 CarbonylContact C-O 3.48Å; F246-Y268 WeakPolarHBondContact CA-O 3.44Å; F246-L270 HydrophobicContact CB-CB 4.4Å; F246-L270 HydrophobicContact CB-CD1 4.08Å; F246-F444 HydrophobicContact CD1-CZ 4.34Å; F246-F444 HydrophobicContact CD2-CE1 4.22Å; F246-F444 AromaticContact CD2-CZ 3.84Å; F246-F444 HydrophobicContact CD2-CZ 3.84Å; F246-F444 AromaticContact CE2-CZ 3.96Å; F246-F444 HydrophobicContact CE2-CZ 3.96Å; F246-F444 HydrophobicContact CG-CZ 4.09Å; F246-F444 HydrophobicContact CZ-CZ 4.39Å
247	G	90.7	Very high	86.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	147.7	167.7	0	0	0	0	0	110.7	T267 Y268 D471	G247-T267 CarbonylContact O-C 3.53Å; G247-T267 VanDerWaalsContact O-CA 3.3Å; G247-T267 WeakPolarHBondContact O-CA 3.43Å; G247-Y268 PolarHBondContact N-O 3.49Å; G247-Y268 PolarHBondContact O-N 3.5Å; G247-D471 WeakPolarHBondContact CA-O 3.5Å
248	K	91.7	Very high	85.9	Confident	11 Å²	11	36.2 Å²	36.2	5%	0.048	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.5	176.6	62	-175.8	177.5	-175	0	111.5	N226 F246 L265 E266 L470 D471	N226-K248 PolarHBondContact OD1-NZ 3.27Å; F246-K248 HydrophobicContact CD2-CB 4.46Å; F246-K248 HydrophobicContact CE2-CB 3.78Å; F246-K248 HydrophobicContact CE2-CD 4.46Å; F246-K248 HydrophobicContact CZ-CB 4.46Å; F246-K248 HydrophobicContact CZ-CD 4.34Å; K248-L265 HydrophobicContact CB-CD1 4.07Å; K248-E266 CarbonylContact C-O 3.58Å; K248-E266 WeakPolarHBondContact CA-O 3.41Å; K248-L470 WeakPolarHBondContact O-CA 3.28Å; K248-D471 HydrophobicContact CD-CB 4.46Å; K248-D471 WeakPolarHBondContact CE-OD2 3.44Å; K248-D471 HydrophobicContact CG-CB 3.79Å; K248-D471 PolarHBondContact N-O 2.89Å; K248-D471 IonicContact NZ-OD2 3.22Å; K248-D471 PolarHBondContact O-N 3.03Å
249	F	93.1	Very high	85.7	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	109.9	172.9	-173.3	-126.2	0	0	0	108.9	Q251 E266 Y268 F466 V469 L470 L663 L666	F249-Q251 HydrophobicContact CD1-CG 3.84Å; F249-Q251 HydrophobicContact CE1-CG 3.47Å; F249-Q251 VanDerWaalsContact CE1-CG 3.47Å; F249-Q251 HydrophobicContact CZ-CG 4.1Å; F249-E266 HydrophobicContact CB-CB 4.38Å; F249-E266 PolarHBondContact N-O 2.83Å; F249-E266 PolarHBondContact O-N 2.88Å; F249-Y268 HydrophobicContact CB-CE2 3.68Å; F249-F466 HydrophobicContact CZ-CE2 4.41Å; F249-V469 WeakPolarHBondContact CA-O 3.39Å; F249-L470 HydrophobicContact CB-CD1 3.77Å; F249-L470 HydrophobicContact CD2-CB 3.65Å; F249-L470 HydrophobicContact CD2-CD1 3.85Å; F249-L470 HydrophobicContact CD2-CG 4.32Å; F249-L470 HydrophobicContact CE2-CB 4.13Å; F249-L470 HydrophobicContact CG-CD1 4.15Å; F249-L663 HydrophobicContact CD1-CD1 4.41Å; F249-L663 HydrophobicContact CG-CD1 4.43Å; F249-L666 HydrophobicContact CE1-CD1 4.17Å; F249-L666 HydrophobicContact CE1-CD2 3.48Å; F249-L666 VanDerWaalsContact CE1-CD2 3.48Å; F249-L666 HydrophobicContact CE1-CG 4.47Å; F249-L666 HydrophobicContact CZ-CD2 3.52Å
250	L	92.8	Very high	86	Confident	7 Å²	7	30.6 Å²	30.6	4%	0.037	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	113.5	177	-173	72.5	0	0	0	109.6	M197 I222 L252 A263 R264 L265 G468 V469	M197-L250 HydrophobicContact CG-CD2 4.16Å; M197-L250 HydrophobicContact SD-CB 4.36Å; M197-L250 HydrophobicContact SD-CD2 3.37Å; M197-L250 WeakPolarHBondContact SD-CD2 3.38Å; M197-L250 HydrophobicContact SD-CG 4.49Å; I222-L250 HydrophobicContact CG2-CD2 3.94Å; L250-L252 HydrophobicContact CD2-CD2 3.82Å; L250-L252 HydrophobicContact CG-CD2 4.12Å; L250-A263 HydrophobicContact CD1-CB 4.06Å; L250-R264 CarbonylContact C-O 3.38Å; L250-R264 WeakPolarHBondContact CA-O 3.18Å; L250-L265 HydrophobicContact CD1-CB 4.07Å; L250-L265 HydrophobicContact CD1-CD1 4.32Å; L250-G468 CarbonylContact O-C 3.57Å; L250-G468 WeakPolarHBondContact O-CA 2.86Å; L250-V469 PolarHBondContact N-O 3.31Å; L250-V469 PolarHBondContact O-N 3.37Å
251	Q	92	Very high	85.9	Confident	16 Å²	16	30.6 Å²	30.6	8%	0.075	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.3	173.2	-59	178.4	-43.4	0	0	109.4	F249 A263 R264 F466 L666	F249-Q251 HydrophobicContact CD1-CG 3.84Å; F249-Q251 HydrophobicContact CE1-CG 3.47Å; F249-Q251 VanDerWaalsContact CE1-CG 3.47Å; F249-Q251 HydrophobicContact CZ-CG 4.1Å; Q251-A263 CarbonylContact O-C 3.57Å; Q251-A263 WeakPolarHBondContact O-CA 3.41Å; Q251-A263 WeakPolarHBondContact O-CB 3.23Å; Q251-R264 HydrophobicContact CB-CB 4.29Å; Q251-R264 PolarHBondContact N-O 3.33Å; Q251-R264 PolarHBondContact O-N 2.96Å; Q251-F466 HydrophobicContact CB-CD2 4.3Å; Q251-F466 HydrophobicContact CG-CD2 4.24Å; Q251-F466 HydrophobicContact CG-CE2 4.44Å; Q251-L666 VanDerWaalsContact NE2-CD1 3.25Å
252	L	90.9	Very high	86	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	119.2	171.7	-59.6	-178	0	0	0	108.7	L200 I222 L250 F254 L260 A263 F466 I467	L200-L252 HydrophobicContact CB-CD1 3.7Å; L200-L252 HydrophobicContact CD1-CD1 3.82Å; L200-L252 HydrophobicContact CG-CD1 4.43Å; I222-L252 HydrophobicContact CD1-CD2 3.72Å; I222-L252 HydrophobicContact CG1-CD2 4.28Å; I222-L252 HydrophobicContact CG2-CD2 4.3Å; L250-L252 HydrophobicContact CD2-CD2 3.82Å; L250-L252 HydrophobicContact CG-CD2 4.12Å; L252-F254 HydrophobicContact CB-CE2 3.7Å; L252-F254 HydrophobicContact CB-CZ 4.1Å; L252-F254 VanDerWaalsContact O-CD2 3.26Å; L252-F254 WeakPolarHBondContact O-CD2 3.39Å; L252-F254 WeakPolarHBondContact O-CE2 3.22Å; L252-L260 HydrophobicContact CB-CD1 3.9Å; L252-L260 HydrophobicContact CD2-CD1 4.38Å; L252-A263 HydrophobicContact CD2-CB 3.93Å; L252-F466 CarbonylContact O-C 3.57Å; L252-F466 WeakPolarHBondContact O-CA 3.3Å; L252-F466 WeakPolarHBondContact O-CB 3.43Å; L252-I467 PolarHBondContact N-O 2.93Å; L252-I467 PolarHBondContact O-N 3.48Å
253	L	89.1	Confident	86	Confident	10 Å²	10	25.8 Å²	25.8	5%	0.052	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.7	-173.6	-62.2	163.9	0	0	0	110.2	M261 G262 F456 F466	L253-M261 PolarHBondContact O-N 3.33Å; L253-G262 WeakPolarHBondContact CB-O 3.26Å; L253-G262 PolarHBondContact N-O 3.19Å; L253-F456 HydrophobicContact CD1-CD2 4.04Å; L253-F456 HydrophobicContact CD1-CE2 4.12Å; L253-F466 HydrophobicContact CD2-CB 4.08Å
254	F	86.5	Confident	86.1	Confident	4 Å²	4	30.6 Å²	30.6	2%	0.018	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134	-177.3	-64.8	-88.2	0	0	0	112.1	F167 M170 C204 L252 T259 L260 Q465 I467	F167-F254 HydrophobicContact CD2-CE1 4.4Å; F167-F254 HydrophobicContact CE2-CD1 4.19Å; F167-F254 HydrophobicContact CE2-CE1 4.03Å; M170-F254 HydrophobicContact CE-CB 3.81Å; M170-F254 HydrophobicContact CE-CD1 4.21Å; M170-F254 HydrophobicContact CE-CD2 3.57Å; M170-F254 HydrophobicContact CE-CE2 4.18Å; M170-F254 HydrophobicContact CE-CG 3.59Å; M170-F254 HydrophobicContact SD-CB 4.37Å; M170-F254 HydrophobicContact SD-CD2 3.89Å; M170-F254 HydrophobicContact SD-CG 4.35Å; C204-F254 HydrophobicContact CB-CE1 4.26Å; L252-F254 HydrophobicContact CB-CE2 3.7Å; L252-F254 HydrophobicContact CB-CZ 4.1Å; L252-F254 VanDerWaalsContact O-CD2 3.26Å; L252-F254 WeakPolarHBondContact O-CD2 3.39Å; L252-F254 WeakPolarHBondContact O-CE2 3.22Å; F254-T259 CarbonylContact C-O 3.52Å; F254-T259 VanDerWaalsContact CA-O 3.29Å; F254-T259 WeakPolarHBondContact CA-O 3.34Å; F254-L260 HydrophobicContact CD1-CB 4.37Å; F254-L260 HydrophobicContact CE1-CB 4.08Å; F254-L260 HydrophobicContact CE1-CD1 4.16Å; F254-L260 HydrophobicContact CZ-CD1 4.14Å; F254-Q465 PolarHBondContact N-O 2.9Å; F254-Q465 PolarHBondContact O-N 3.24Å; F254-I467 HydrophobicContact CD2-CD1 4.47Å; F254-I467 HydrophobicContact CD2-CG1 4.16Å; F254-I467 HydrophobicContact CE2-CB 3.99Å; F254-I467 HydrophobicContact CE2-CD1 3.79Å; F254-I467 HydrophobicContact CE2-CG1 3.7Å; F254-I467 HydrophobicContact CZ-CD1 4.21Å
255	E	80.4	Confident	86.2	Confident	79 Å²	79	29.4 Å²	29.4	37%	0.369	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.5	168.8	-179.6	172.2	-124.5	0	0	110.3	G257 K258 T259 M261	E255-G257 PolarHBondContact O-N 2.99Å; E255-K258 PolarHBondContact O-N 3Å; E255-T259 PolarHBondContact N-O 3.41Å; E255-T259 PolarHBondContact O-N 3.48Å; E255-M261 HydrophobicContact CB-CG 3.59Å; E255-M261 HydrophobicContact CB-SD 4.35Å
256	E	74.3	Confident	86.2	Confident	118 Å²	118	29.8 Å²	29.8	55%	0.551	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	12.8	-174.2	-61.4	-171.9	172.6	0	0	115.5	K174 K258	K174-E256 PolarHBondContact NZ-O 2.92Å; E256-K258 VanDerWaalsContact C-N 3.32Å; E256-K258 IonicContact OE2-NZ 3.58Å; E256-K258 PolarHBondContact OE2-NZ 3.18Å
257	G	70.7	Confident	86.1	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	8.5	-172	0	0	0	0	0	115	F167 N171 E255	F167-G257 VanDerWaalsContact CE2-O 3.25Å; F167-G257 WeakPolarHBondContact CE2-O 3.39Å; F167-G257 VanDerWaalsContact CZ-O 3.24Å; F167-G257 WeakPolarHBondContact CZ-O 3.45Å; N171-G257 VanDerWaalsContact CG-O 3.27Å; N171-G257 PolarHBondContact ND2-O 3.41Å; N171-G257 VanDerWaalsContact OD1-CA 3.28Å; N171-G257 WeakPolarHBondContact OD1-CA 3.42Å; N171-G257 PolarHBondContact OD1-O 3.29Å; E255-G257 PolarHBondContact O-N 2.99Å
258	K	75.3	Confident	85.9	Confident	120 Å²	120	32.3 Å²	32.3	52%	0.522	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-44.2	-172.8	-62.1	172.4	-165.4	147.6	0	113.9	E255 E256	E255-K258 PolarHBondContact O-N 3Å; E256-K258 VanDerWaalsContact C-N 3.32Å; E256-K258 IonicContact OE2-NZ 3.58Å; E256-K258 PolarHBondContact OE2-NZ 3.18Å
259	T	78.7	Confident	85.4	Confident	48 Å²	48	33.8 Å²	33.8	29%	0.294	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.2	-170.6	-61.3	0	0	0	0	110.3	F254 E255 M261	F254-T259 CarbonylContact C-O 3.52Å; F254-T259 VanDerWaalsContact CA-O 3.29Å; F254-T259 WeakPolarHBondContact CA-O 3.34Å; E255-T259 PolarHBondContact N-O 3.41Å; E255-T259 PolarHBondContact O-N 3.48Å; T259-M261 HydrophobicContact CG2-SD 4.36Å; T259-M261 PolarHBondContact O-N 2.95Å
260	L	84	Confident	85.1	Confident	8 Å²	8	34.9 Å²	34.9	4%	0.042	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	117.6	174.1	180	64.8	0	0	0	109.1	A201 I218 I222 L252 F254	A201-L260 HydrophobicContact CB-CD2 4.13Å; I218-L260 HydrophobicContact CG2-CD2 4.25Å; I218-L260 HydrophobicContact CG2-CG 4.24Å; I222-L260 HydrophobicContact CD1-CD1 4.36Å; I222-L260 HydrophobicContact CD1-CD2 3.66Å; I222-L260 HydrophobicContact CD1-CG 4.33Å; L252-L260 HydrophobicContact CB-CD1 3.9Å; L252-L260 HydrophobicContact CD2-CD1 4.38Å; F254-L260 HydrophobicContact CD1-CB 4.37Å; F254-L260 HydrophobicContact CE1-CB 4.08Å; F254-L260 HydrophobicContact CE1-CD1 4.16Å; F254-L260 HydrophobicContact CZ-CD1 4.14Å
261	M	80.4	Confident	84.8	Confident	41 Å²	41	36.5 Å²	36.5	20%	0.202	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	-28.2	-176.6	-71.7	-61.9	-70	0	0	113.4	L253 E255 T259 V457 I459	L253-M261 PolarHBondContact O-N 3.33Å; E255-M261 HydrophobicContact CB-CG 3.59Å; E255-M261 HydrophobicContact CB-SD 4.35Å; T259-M261 HydrophobicContact CG2-SD 4.36Å; T259-M261 PolarHBondContact O-N 2.95Å; M261-V457 WeakPolarHBondContact O-CG2 3.37Å; M261-I459 HydrophobicContact CB-CD1 3.57Å; M261-I459 HydrophobicContact CE-CD1 4.29Å; M261-I459 HydrophobicContact CG-CD1 3.98Å
262	G	84.8	Confident	84.4	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	-178.6	-173.8	0	0	0	0	0	111.8	L253 L455	L253-G262 WeakPolarHBondContact CB-O 3.26Å; L253-G262 PolarHBondContact N-O 3.19Å; G262-L455 VanDerWaalsContact CA-O 3.26Å; G262-L455 WeakPolarHBondContact CA-O 3.46Å
263	A	89.3	Confident	84.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	163.4	173.8	0	0	0	0	0	112.2	I222 L250 Q251 L252 L455	I222-A263 HydrophobicContact CD1-CB 4.07Å; I222-A263 HydrophobicContact CG1-CB 3.9Å; L250-A263 HydrophobicContact CD1-CB 4.06Å; Q251-A263 CarbonylContact O-C 3.57Å; Q251-A263 WeakPolarHBondContact O-CA 3.41Å; Q251-A263 WeakPolarHBondContact O-CB 3.23Å; L252-A263 HydrophobicContact CD2-CB 3.93Å; A263-L455 HydrophobicContact CB-CB 4.32Å; A263-L455 HydrophobicContact CB-CD1 4.19Å; A263-L455 PolarHBondContact N-O 3.43Å; A263-L455 CarbonylContact O-C 3.59Å; A263-L455 WeakPolarHBondContact O-CB 3.42Å
264	R	91	Very high	84.1	Confident	107 Å²	107	38.3 Å²	38.3	40%	0.404	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	127	172.8	174.3	172.3	167.2	160.1	-3.3	109.9	L250 Q251 E266	L250-R264 CarbonylContact C-O 3.38Å; L250-R264 WeakPolarHBondContact CA-O 3.18Å; Q251-R264 HydrophobicContact CB-CB 4.29Å; Q251-R264 PolarHBondContact N-O 3.33Å; Q251-R264 PolarHBondContact O-N 2.96Å; R264-E266 IonicContact CZ-OE1 3.16Å; R264-E266 IonicContact NE-OE1 3.93Å; R264-E266 PolarHBondContact NE-OE1 3.38Å; R264-E266 IonicContact NH2-OE1 3.39Å; R264-E266 PolarHBondContact NH2-OE1 2.84Å
265	L	91.8	Very high	84.4	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.7	178.5	177.7	67.6	0	0	0	110.2	I229 K248 L250 T267 V448 V451 N452	I229-L265 HydrophobicContact CD1-CD2 3.78Å; I229-L265 HydrophobicContact CG1-CD2 3.82Å; K248-L265 HydrophobicContact CB-CD1 4.07Å; L250-L265 HydrophobicContact CD1-CB 4.07Å; L250-L265 HydrophobicContact CD1-CD1 4.32Å; L265-T267 HydrophobicContact CD2-CG2 4.47Å; L265-T267 HydrophobicContact CG-CG2 4.33Å; L265-V448 HydrophobicContact CD2-CG1 4.25Å; L265-V448 HydrophobicContact CD2-CG2 4.33Å; L265-V448 HydrophobicContact CG-CG1 4.31Å; L265-V451 HydrophobicContact CD2-CG1 4.35Å; L265-N452 PolarHBondContact N-OD1 2.9Å; L265-N452 PolarHBondContact O-ND2 3.14Å; L265-N452 PolarHBondContact O-OD1 3.38Å
266	E	90.5	Very high	84.8	Confident	46 Å²	46	34.7 Å²	34.7	22%	0.215	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	145.5	167	-64.1	-172.6	164.5	0	0	110	K248 F249 R264 Y268	K248-E266 CarbonylContact C-O 3.58Å; K248-E266 WeakPolarHBondContact CA-O 3.41Å; F249-E266 HydrophobicContact CB-CB 4.38Å; F249-E266 PolarHBondContact N-O 2.83Å; F249-E266 PolarHBondContact O-N 2.88Å; R264-E266 IonicContact CZ-OE1 3.16Å; R264-E266 IonicContact NE-OE1 3.93Å; R264-E266 PolarHBondContact NE-OE1 3.38Å; R264-E266 IonicContact NH2-OE1 3.39Å; R264-E266 PolarHBondContact NH2-OE1 2.84Å; E266-Y268 HydrophobicContact CB-CE2 3.88Å; E266-Y268 PolarHBondContact OE2-OH 3.33Å
267	T	90.3	Very high	85.4	Confident	45 Å²	45	31.8 Å²	31.8	28%	0.276	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147	-178.7	63.2	0	0	0	0	111	F246 G247 L265 F444 V448	F246-T267 HydrophobicContact CD2-CG2 3.85Å; F246-T267 HydrophobicContact CE2-CG2 3.86Å; G247-T267 CarbonylContact O-C 3.53Å; G247-T267 VanDerWaalsContact O-CA 3.3Å; G247-T267 WeakPolarHBondContact O-CA 3.43Å; L265-T267 HydrophobicContact CD2-CG2 4.47Å; L265-T267 HydrophobicContact CG-CG2 4.33Å; T267-F444 HydrophobicContact CG2-CE1 3.84Å; T267-F444 HydrophobicContact CG2-CZ 4.11Å; T267-V448 HydrophobicContact CG2-CG1 4.29Å; T267-V448 HydrophobicContact CG2-CG2 3.7Å
268	Y	86.5	Confident	86.2	Confident	15 Å²	15	32.7 Å²	32.7	6%	0.059	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.4	-171.9	-62.1	-91.7	0	0	0	110.2	F246 G247 F249 E266 L663	F246-Y268 CarbonylContact C-O 3.48Å; F246-Y268 WeakPolarHBondContact CA-O 3.44Å; G247-Y268 PolarHBondContact N-O 3.49Å; G247-Y268 PolarHBondContact O-N 3.5Å; F249-Y268 HydrophobicContact CB-CE2 3.68Å; E266-Y268 HydrophobicContact CB-CE2 3.88Å; E266-Y268 PolarHBondContact OE2-OH 3.33Å; Y268-L663 HydrophobicContact CE1-CB 3.96Å; Y268-L663 HydrophobicContact CE1-CD2 4.15Å
269	L	81.1	Confident	86.6	Confident	42 Å²	42	30.5 Å²	30.5	22%	0.22	16%	0.164	C	C	.	.			trans	50.2	62.8	171.3	-162.2	74.7	0	0	0	114.2	E271 Y473 C487 I488 F656	L269-E271 PolarHBondContact O-N 2.9Å; L269-Y473 HydrophobicContact CB-CE1 4.3Å; L269-Y473 HydrophobicContact CD2-CE1 3.85Å; L269-Y473 VanDerWaalsContact CD2-OH 3.27Å; L269-Y473 WeakPolarHBondContact CD2-OH 3.37Å; L269-C487 HydrophobicContact CD1-CB 4.24Å; L269-C487 HydrophobicContact CD2-CB 4.06Å; L269-I488 HydrophobicContact CD2-CG1 3.91Å; L269-F656 HydrophobicContact CB-CD2 3.99Å; L269-F656 HydrophobicContact CB-CE2 3.66Å; L269-F656 HydrophobicContact CB-CZ 4.48Å; L269-F656 HydrophobicContact CD1-CD2 3.67Å; L269-F656 HydrophobicContact CD1-CE2 3.89Å; L269-F656 HydrophobicContact CD1-CG 4Å; L269-F656 HydrophobicContact CD1-CZ 4.36Å; L269-F656 HydrophobicContact CD2-CE2 4.1Å; L269-F656 HydrophobicContact CD2-CZ 4.1Å; L269-F656 HydrophobicContact CG-CD2 4.32Å; L269-F656 HydrophobicContact CG-CE2 4.1Å
270	L	87.3	Confident	86.9	Confident	23 Å²	23	36.4 Å²	36.4	12%	0.12	19%	0.185	C	C	.	.			trans	-63.8	127	168.9	-178.6	70.5	0	0	0	110.2	F246 K272 Y285 Y440 F444	F246-L270 HydrophobicContact CB-CB 4.4Å; F246-L270 HydrophobicContact CB-CD1 4.08Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 WeakPolarHBondContact O-CG 3.49Å; L270-K272 PolarHBondContact O-N 3.03Å; L270-Y285 HydrophobicContact CD1-CE1 4.39Å; L270-Y440 HydrophobicContact CD2-CD1 4.16Å; L270-Y440 HydrophobicContact CD2-CE1 4.37Å; L270-F444 HydrophobicContact CD1-CD1 4.27Å; L270-F444 HydrophobicContact CD1-CE1 4.24Å; L270-F444 HydrophobicContact CD1-CG 4.42Å; L270-F444 HydrophobicContact CD1-CZ 4.39Å; L270-F444 HydrophobicContact CD2-CB 3.89Å; L270-F444 HydrophobicContact CD2-CD1 3.84Å; L270-F444 HydrophobicContact CD2-CG 3.89Å; L270-F444 HydrophobicContact CG-CD1 4.48Å
271	E	85.8	Confident	87	Confident	40 Å²	40	37.2 Å²	37.2	19%	0.187	20%	0.195	C	C	.	.			trans	-73.9	78.9	176.9	-170	-170.3	-154.5	0	0	111.7	R245 L269 C273 R274 Y285	R245-E271 HydrophobicContact CB-CB 4.05Å; R245-E271 IonicContact CZ-OE1 3.63Å; R245-E271 IonicContact CZ-OE2 3.84Å; R245-E271 IonicContact NE-OE1 3.52Å; R245-E271 IonicContact NE-OE2 3.02Å; R245-E271 PolarHBondContact NE-OE2 2.84Å; R245-E271 IonicContact NH2-OE1 2.97Å; R245-E271 PolarHBondContact NH2-OE1 3.34Å; R245-E271 IonicContact NH2-OE2 3.43Å; R245-E271 PolarHBondContact NH2-OE2 2.9Å; R245-E271 PolarHBondContact O-N 3.47Å; L269-E271 PolarHBondContact O-N 2.9Å; E271-C273 VanDerWaalsContact C-N 3.27Å; E271-C273 PolarHBondContact O-N 3.36Å; E271-R274 HydrophobicContact CG-CB 4.29Å; E271-R274 WeakPolarHBondContact O-CB 3.39Å; E271-R274 PolarHBondContact O-N 2.89Å; E271-R274 IonicContact OE1-NH2 3.53Å; E271-R274 PolarHBondContact OE1-NH2 3.28Å; E271-R274 IonicContact OE2-CZ 2.96Å; E271-R274 VanDerWaalsContact OE2-CZ 3.3Å; E271-R274 IonicContact OE2-NE 3.55Å; E271-R274 PolarHBondContact OE2-NE 2.71Å; E271-R274 IonicContact OE2-NH2 2.68Å; E271-R274 PolarHBondContact OE2-NH2 2.6Å; E271-Y285 PolarHBondContact O-OH 3.48Å
272	K	84.6	Confident	87.5	Confident	28 Å²	28	36.4 Å²	36.4	12%	0.122	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-59.9	-36.7	-176.3	-40.4	-179.6	-161.8	-178.5	0	112.6	L270 R274 V275 K437 E441 D607	L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 WeakPolarHBondContact O-CG 3.49Å; L270-K272 PolarHBondContact O-N 3.03Å; K272-R274 PolarHBondContact O-N 3.44Å; K272-V275 WeakPolarHBondContact O-CB 3.34Å; K272-V275 WeakPolarHBondContact O-CG2 3.31Å; K272-V275 PolarHBondContact O-N 2.92Å; K272-K437 HydrophobicContact CB-CB 3.89Å; K272-K437 HydrophobicContact CB-CG 4.15Å; K272-E441 HydrophobicContact CD-CB 4.14Å; K272-E441 HydrophobicContact CD-CG 4.36Å; K272-E441 WeakPolarHBondContact CE-OE1 3.16Å; K272-E441 VanDerWaalsContact CE-OE2 3.25Å; K272-E441 WeakPolarHBondContact CE-OE2 3.45Å; K272-E441 HydrophobicContact CG-CB 4.48Å; K272-E441 IonicContact NZ-OE1 2.82Å; K272-E441 PolarHBondContact NZ-OE1 3.44Å; K272-E441 IonicContact NZ-OE2 3.6Å; K272-E441 PolarHBondContact NZ-OE2 2.89Å; K272-D607 IonicContact NZ-OD1 3.97Å; K272-D607 PolarHBondContact NZ-OD1 3.19Å; K272-D607 IonicContact NZ-OD2 3.01Å
273	C	83.5	Confident	87.8	Confident	29 Å²	29	36.4 Å²	36.4	20%	0.196	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-57.1	-23.4	-178.9	-66.7	0	0	0	0	113.6	E271 V275 V276 S277	E271-C273 VanDerWaalsContact C-N 3.27Å; E271-C273 PolarHBondContact O-N 3.36Å; C273-V275 VanDerWaalsContact C-N 3.27Å; C273-V275 PolarHBondContact O-N 2.88Å; C273-V276 WeakPolarHBondContact O-CG2 3.48Å; C273-V276 PolarHBondContact O-N 3.47Å; C273-S277 PolarHBondContact O-N 2.9Å; C273-S277 PolarHBondContact O-OG 3.26Å
274	R	89.6	Confident	88.1	Confident	8 Å²	8	36.4 Å²	36.4	3%	0.03	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-64.5	-29.8	177.4	-176.6	166.9	-63.9	-81.6	-12	113.7	A235 E271 K272 V276 S277 Q278 E282 R283 N284 Y285	A235-R274 VanDerWaalsContact CB-CD 3.48Å; E271-R274 HydrophobicContact CG-CB 4.29Å; E271-R274 WeakPolarHBondContact O-CB 3.39Å; E271-R274 PolarHBondContact O-N 2.89Å; E271-R274 IonicContact OE1-NH2 3.53Å; E271-R274 PolarHBondContact OE1-NH2 3.28Å; E271-R274 IonicContact OE2-CZ 2.96Å; E271-R274 VanDerWaalsContact OE2-CZ 3.3Å; E271-R274 IonicContact OE2-NE 3.55Å; E271-R274 PolarHBondContact OE2-NE 2.71Å; E271-R274 IonicContact OE2-NH2 2.68Å; E271-R274 PolarHBondContact OE2-NH2 2.6Å; K272-R274 PolarHBondContact O-N 3.44Å; R274-V276 PolarHBondContact O-N 3.12Å; R274-S277 CarbonylContact C-O 3.55Å; R274-S277 WeakPolarHBondContact CA-O 3.32Å; R274-Q278 PolarHBondContact O-NE2 3.21Å; R274-E282 IonicContact CZ-OE2 2.95Å; R274-E282 IonicContact NH1-OE2 2.77Å; R274-E282 PolarHBondContact NH1-OE2 2.86Å; R274-E282 IonicContact NH2-OE2 3.26Å; R274-E282 PolarHBondContact NH2-OE2 3.05Å; R274-E282 VanDerWaalsContact NH2-OE2 3.09Å; R274-R283 PolarHBondContact NH1-O 3.37Å; R274-N284 PolarHBondContact O-ND2 3.26Å; R274-N284 PolarHBondContact O-OD1 3.27Å; R274-Y285 HydrophobicContact CB-CE2 3.96Å; R274-Y285 HydrophobicContact CG-CD2 4.49Å; R274-Y285 HydrophobicContact CG-CE2 4.18Å
275	V	91.8	Very high	88.4	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-58.1	-38.6	179	179.3	0	0	0	0	110.5	K272 C273 N284 Y285 F288 Y314 A436 Y440	K272-V275 WeakPolarHBondContact O-CB 3.34Å; K272-V275 WeakPolarHBondContact O-CG2 3.31Å; K272-V275 PolarHBondContact O-N 2.92Å; C273-V275 VanDerWaalsContact C-N 3.27Å; C273-V275 PolarHBondContact O-N 2.88Å; V275-N284 PolarHBondContact O-ND2 3.29Å; V275-Y285 HydrophobicContact CG2-CD2 4.13Å; V275-Y285 HydrophobicContact CG2-CE2 3.79Å; V275-F288 HydrophobicContact CG1-CZ 4.45Å; V275-Y314 WeakPolarHBondContact O-CB 3.4Å; V275-A436 HydrophobicContact CG1-CB 4.38Å; V275-Y440 HydrophobicContact CG2-CD1 3.51Å; V275-Y440 HydrophobicContact CG2-CD2 4.05Å; V275-Y440 HydrophobicContact CG2-CE1 4.11Å; V275-Y440 HydrophobicContact CG2-CG 3.47Å; V275-Y440 VanDerWaalsContact CG2-CG 3.47Å
276	V	89.9	Confident	88.6	Confident	6 Å²	6	31.7 Å²	31.7	4%	0.036	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-22	-172.3	-55.3	0	0	0	0	113.8	C273 R274 Y314 Q317 D433 A436 K437	C273-V276 WeakPolarHBondContact O-CG2 3.48Å; C273-V276 PolarHBondContact O-N 3.47Å; R274-V276 PolarHBondContact O-N 3.12Å; V276-Y314 HydrophobicContact CB-CD1 4.25Å; V276-Y314 HydrophobicContact CB-CE1 3.73Å; V276-Y314 HydrophobicContact CG1-CE1 3.89Å; V276-Y314 HydrophobicContact CG1-CE2 4.27Å; V276-Q317 PolarHBondContact O-NE2 3.32Å; V276-Q317 PolarHBondContact O-OE1 3.4Å; V276-D433 HydrophobicContact CB-CB 4.01Å; V276-D433 HydrophobicContact CG1-CB 3.85Å; V276-D433 WeakPolarHBondContact CG1-O 3.36Å; V276-D433 HydrophobicContact CG2-CB 4.13Å; V276-A436 HydrophobicContact CG1-CB 3.77Å; V276-K437 HydrophobicContact CG1-CG 4.09Å; V276-K437 HydrophobicContact CG2-CD 4.47Å; V276-K437 HydrophobicContact CG2-CG 4.39Å
277	S	86.8	Confident	88.9	Confident	57 Å²	57	29.5 Å²	29.5	40%	0.399	16%	0.163	S	C	.	.			trans	-144.6	140.2	-173.9	66.1	0	0	0	0	112.5	C273 R274	C273-S277 PolarHBondContact O-N 2.9Å; C273-S277 PolarHBondContact O-OG 3.26Å; R274-S277 CarbonylContact C-O 3.55Å; R274-S277 WeakPolarHBondContact CA-O 3.32Å
278	Q	86.7	Confident	89.2	Confident	19 Å²	19	27.4 Å²	27.4	9%	0.089	15%	0.15	C	C	.	.			trans	-134.8	146	172.8	-51.9	85	34.6	0	0	111.1	R274 E282 N284 Y314	R274-Q278 PolarHBondContact O-NE2 3.21Å; Q278-E282 HydrophobicContact CB-CB 4.35Å; Q278-N284 HydrophobicContact CG-CB 4.31Å; Q278-N284 VanDerWaalsContact NE2-CG 3.32Å; Q278-N284 PolarHBondContact NE2-ND2 3.4Å; Q278-Y314 PolarHBondContact NE2-O 3.39Å; Q278-Y314 PolarHBondContact OE1-O 2.92Å
279	S	84.6	Confident	89.6	Confident	75 Å²	75	27 Å²	27	52%	0.524	15%	0.149	S	C	.	.			trans	-70.5	158.1	171.6	-68.8	0	0	0	0	111.3	G281 E282 G318	S279-G281 PolarHBondContact O-N 2.89Å; S279-E282 WeakPolarHBondContact O-CB 3.45Å; S279-E282 PolarHBondContact O-N 2.93Å; S279-E282 VanDerWaalsContact O-N 3.12Å; S279-G318 WeakPolarHBondContact O-CA 3.47Å
280	K	85.3	Confident	90.3	Very high	172 Å²	172	25.5 Å²	25.5	75%	0.748	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	131.3	172.4	-63.6	-177.5	-177.7	179.8	0	110	N238	N238-K280 PolarHBondContact ND2-O 2.84Å; N238-K280 VanDerWaalsContact ND2-O 3.14Å; N238-K280 PolarHBondContact OD1-O 3Å
281	G	86.3	Confident	90.7	Very high	25 Å²	25	24.4 Å²	24.4	26%	0.258	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	-2.9	-177.7	0	0	0	0	0	115	N238 S279 G318 A320	N238-G281 VanDerWaalsContact OD1-CA 3.28Å; N238-G281 WeakPolarHBondContact OD1-CA 3.25Å; N238-G281 PolarHBondContact OD1-O 3.34Å; S279-G281 PolarHBondContact O-N 2.89Å; G281-G318 PolarHBondContact N-O 3.3Å; G281-A320 VanDerWaalsContact C-CB 3.43Å; G281-A320 VanDerWaalsContact O-CB 3.24Å; G281-A320 WeakPolarHBondContact O-CB 3.36Å
282	E	89.7	Confident	91.1	Very high	23 Å²	23	22.9 Å²	22.9	11%	0.107	13%	0.128	C	C	.	.			trans	-105.2	168.4	-177.4	-56.9	-154.4	151.9	0	0	113.2	K236 T237 N238 R274 Q278 S279 G318	K236-E282 WeakPolarHBondContact O-CA 3.36Å; K236-E282 WeakPolarHBondContact O-CB 3.41Å; T237-E282 WeakPolarHBondContact CA-OE1 3.36Å; T237-E282 WeakPolarHBondContact CB-OE1 3.43Å; N238-E282 PolarHBondContact N-OE1 3.28Å; R274-E282 IonicContact CZ-OE2 2.95Å; R274-E282 IonicContact NH1-OE2 2.77Å; R274-E282 PolarHBondContact NH1-OE2 2.86Å; R274-E282 IonicContact NH2-OE2 3.26Å; R274-E282 PolarHBondContact NH2-OE2 3.05Å; R274-E282 VanDerWaalsContact NH2-OE2 3.09Å; Q278-E282 HydrophobicContact CB-CB 4.35Å; S279-E282 WeakPolarHBondContact O-CB 3.45Å; S279-E282 PolarHBondContact O-N 2.93Å; S279-E282 VanDerWaalsContact O-N 3.12Å; E282-G318 CarbonylContact O-C 3.36Å; E282-G318 VanDerWaalsContact O-CA 3.32Å; E282-G318 WeakPolarHBondContact O-CA 3.28Å
283	R	91.7	Very high	91.5	Very high	1 Å²	1	23 Å²	23	0%	0.004	14%	0.135	C	C	.	.			trans	-115.6	161.2	168.3	-74.5	-178	155.6	-163	-4.4	110.4	K236 R274 Y289 A320 P321 K322 L323 D328	K236-R283 HydrophobicContact CB-CB 3.74Å; K236-R283 HydrophobicContact CB-CG 3.93Å; K236-R283 HydrophobicContact CD-CG 4.09Å; K236-R283 PolarHBondContact O-N 3.47Å; K236-R283 VanDerWaalsContact O-N 3.09Å; R274-R283 PolarHBondContact NH1-O 3.37Å; R283-Y289 HydrophobicContact CB-CE2 3.66Å; R283-Y289 HydrophobicContact CG-CE1 4.4Å; R283-Y289 HydrophobicContact CG-CE2 3.99Å; R283-A320 WeakPolarHBondContact CG-O 3.06Å; R283-P321 VanDerWaalsContact CZ-O 3.31Å; R283-P321 PolarHBondContact NE-O 3.27Å; R283-P321 PolarHBondContact NH2-O 3.04Å; R283-K322 VanDerWaalsContact NH2-CA 3.29Å; R283-L323 VanDerWaalsContact NH1-CD1 3.28Å; R283-L323 VanDerWaalsContact NH1-CG 3.35Å; R283-D328 IonicContact CZ-OD1 3.31Å; R283-D328 IonicContact CZ-OD2 3.07Å; R283-D328 IonicContact NH1-OD1 2.99Å; R283-D328 PolarHBondContact NH1-OD1 3.02Å; R283-D328 IonicContact NH1-OD2 3.83Å; R283-D328 PolarHBondContact NH1-OD2 3.29Å; R283-D328 IonicContact NH2-OD1 3.37Å; R283-D328 IonicContact NH2-OD2 2.87Å; R283-D328 PolarHBondContact NH2-OD2 3.44Å
284	N	95.1	Very high	92	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.126	C	C	.	.			trans	-70	-177.8	159.5	-150.2	-31.5	0	0	0	110.2	R274 V275 Q278 F288 Y289 Y314 L315	R274-N284 PolarHBondContact O-ND2 3.26Å; R274-N284 PolarHBondContact O-OD1 3.27Å; V275-N284 PolarHBondContact O-ND2 3.29Å; Q278-N284 HydrophobicContact CG-CB 4.31Å; Q278-N284 VanDerWaalsContact NE2-CG 3.32Å; Q278-N284 PolarHBondContact NE2-ND2 3.4Å; N284-F288 HydrophobicContact CB-CD2 4.35Å; N284-Y289 HydrophobicContact CB-CE2 3.99Å; N284-Y289 PolarHBondContact N-OH 3.49Å; N284-Y314 PolarHBondContact ND2-O 2.84Å; N284-L315 HydrophobicContact CB-CD2 3.63Å
285	Y	96.8	Very high	92.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-55.8	143.2	177.2	-67.1	-72.4	0	0	0	112.7	F232 N234 A235 R245 L270 E271 R274 V275 I287 F288 Y440	F232-Y285 WeakPolarHBondContact O-CD1 3.38Å; N234-Y285 WeakPolarHBondContact O-CA 3.28Å; A235-Y285 HydrophobicContact CB-CD1 4.45Å; R245-Y285 HydrophobicContact CB-CE1 4.07Å; R245-Y285 HydrophobicContact CG-CE1 4.4Å; L270-Y285 HydrophobicContact CD1-CE1 4.39Å; E271-Y285 PolarHBondContact O-OH 3.48Å; R274-Y285 HydrophobicContact CB-CE2 3.96Å; R274-Y285 HydrophobicContact CG-CD2 4.49Å; R274-Y285 HydrophobicContact CG-CE2 4.18Å; V275-Y285 HydrophobicContact CG2-CD2 4.13Å; V275-Y285 HydrophobicContact CG2-CE2 3.79Å; Y285-I287 VanDerWaalsContact C-N 3.26Å; Y285-I287 PolarHBondContact O-N 2.63Å; Y285-F288 HydrophobicContact CD2-CE2 4.36Å; Y285-F288 PolarHBondContact O-N 2.93Å; Y285-Y440 WeakPolarHBondContact CB-OH 3.46Å; Y285-Y440 HydrophobicContact CD2-CD1 4.47Å; Y285-Y440 AromaticContact CD2-CE1 3.6Å; Y285-Y440 HydrophobicContact CD2-CE1 3.6Å; Y285-Y440 HydrophobicContact CD2-CE2 4.38Å; Y285-Y440 AromaticContact CD2-CZ 3.55Å; Y285-Y440 WeakPolarHBondContact CD2-OH 3.48Å; Y285-Y440 HydrophobicContact CE2-CD1 4.21Å; Y285-Y440 AromaticContact CE2-CE1 3.56Å; Y285-Y440 HydrophobicContact CE2-CE1 3.56Å; Y285-Y440 HydrophobicContact CG-CE1 4.21Å; Y285-Y440 AromaticContact CG-CZ 3.92Å; Y285-Y440 VanDerWaalsContact CG-OH 3.25Å
286	H	96.3	Very high	92	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.056	17%	0.168	C	C	.	.	H	α-helix	trans	-58.1	-37.1	-172.9	-66.4	-44.9	0	0	0	113.2	A231 N234 D241 N242 F288 Y289 Q290	A231-H286 PolarHBondContact O-N 3.25Å; N234-H286 VanDerWaalsContact C-CD2 3.5Å; N234-H286 PolarHBondContact O-CD2 2.98Å; N234-H286 PolarHBondContact O-N 2.92Å; D241-H286 PolarHBondContact O-CE1 2.84Å; N242-H286 PolarHBondContact OD1-NE2 2.83Å; H286-F288 PolarHBondContact O-N 3.21Å; H286-F288 VanDerWaalsContact O-N 3.13Å; H286-Y289 PolarHBondContact O-N 2.95Å; H286-Q290 WeakPolarHBondContact O-CG 3.29Å; H286-Q290 PolarHBondContact O-N 3.12Å
287	I	96.9	Very high	91.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-53.3	-36.9	-179	-172.9	61.6	0	0	0	112.9	A231 F232 Y285 Y289 Q290 L291 T335 F353 L356	A231-I287 HydrophobicContact CB-CB 4.45Å; A231-I287 VanDerWaalsContact O-CB 3.3Å; A231-I287 WeakPolarHBondContact O-CB 3.45Å; A231-I287 PolarHBondContact O-N 3.06Å; F232-I287 HydrophobicContact CD1-CG1 4.36Å; F232-I287 HydrophobicContact CD1-CG2 4.17Å; F232-I287 HydrophobicContact CD2-CB 4.48Å; F232-I287 HydrophobicContact CD2-CG1 4.41Å; F232-I287 HydrophobicContact CE1-CG1 3.99Å; F232-I287 HydrophobicContact CE2-CD1 3.87Å; F232-I287 HydrophobicContact CE2-CG1 4.01Å; F232-I287 HydrophobicContact CG-CB 4.45Å; F232-I287 HydrophobicContact CG-CG2 4.39Å; F232-I287 HydrophobicContact CZ-CD1 3.92Å; F232-I287 HydrophobicContact CZ-CG1 3.78Å; Y285-I287 VanDerWaalsContact C-N 3.26Å; Y285-I287 PolarHBondContact O-N 2.63Å; I287-Y289 PolarHBondContact O-N 3.15Å; I287-Q290 WeakPolarHBondContact O-CB 3.44Å; I287-Q290 PolarHBondContact O-N 3.23Å; I287-L291 HydrophobicContact CD1-CG 4.42Å; I287-L291 HydrophobicContact CG1-CD1 4.38Å; I287-L291 HydrophobicContact CG1-CG 4.44Å; I287-L291 VanDerWaalsContact O-CG 3.28Å; I287-L291 WeakPolarHBondContact O-CG 3.1Å; I287-L291 PolarHBondContact O-N 3.4Å; I287-T335 HydrophobicContact CD1-CG2 4.11Å; I287-F353 HydrophobicContact CD1-CE1 4.43Å; I287-L356 HydrophobicContact CD1-CD1 4.45Å; I287-L356 HydrophobicContact CG1-CD1 3.5Å; I287-L356 VanDerWaalsContact CG1-CD1 3.5Å; I287-L356 HydrophobicContact CG2-CD1 4.37Å
288	F	96.9	Very high	92.1	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-66.5	-38.3	179.6	-66.5	-63.4	0	0	0	112.6	V275 N284 Y285 H286 C292 L315 L356 L360 Y440	V275-F288 HydrophobicContact CG1-CZ 4.45Å; N284-F288 HydrophobicContact CB-CD2 4.35Å; Y285-F288 HydrophobicContact CD2-CE2 4.36Å; Y285-F288 PolarHBondContact O-N 2.93Å; H286-F288 PolarHBondContact O-N 3.21Å; H286-F288 VanDerWaalsContact O-N 3.13Å; F288-C292 PolarHBondContact O-N 3.48Å; F288-C292 VanDerWaalsContact O-N 3.07Å; F288-C292 PolarHBondContact O-SG 2.92Å; F288-L315 HydrophobicContact CB-CD1 4.03Å; F288-L315 HydrophobicContact CB-CD2 3.54Å; F288-L315 HydrophobicContact CB-CG 4.4Å; F288-L315 HydrophobicContact CD2-CD2 4.21Å; F288-L315 HydrophobicContact CG-CD2 4Å; F288-L356 HydrophobicContact CE1-CB 4.17Å; F288-L356 HydrophobicContact CE1-CD2 3.75Å; F288-L356 HydrophobicContact CZ-CD2 4.03Å; F288-L360 HydrophobicContact CB-CD2 4.29Å; F288-L360 HydrophobicContact CD1-CD1 4.06Å; F288-L360 HydrophobicContact CD1-CD2 3.53Å; F288-L360 HydrophobicContact CD1-CG 3.74Å; F288-L360 HydrophobicContact CE1-CD2 4Å; F288-L360 HydrophobicContact CE1-CG 4.13Å; F288-L360 HydrophobicContact CG-CD2 4.02Å; F288-Y440 HydrophobicContact CE2-CD2 4.28Å; F288-Y440 AromaticContact CE2-CE2 3.73Å; F288-Y440 HydrophobicContact CE2-CE2 3.73Å; F288-Y440 AromaticContact CZ-CD2 3.79Å; F288-Y440 HydrophobicContact CZ-CD2 3.79Å; F288-Y440 AromaticContact CZ-CE2 3.54Å; F288-Y440 HydrophobicContact CZ-CE2 3.54Å
289	Y	95.7	Very high	92.2	Very high	7 Å²	7	37.6 Å²	37.6	3%	0.027	21%	0.208	C	C	.	.	H	α-helix	trans	-74.8	-35.9	177.4	-60.9	-87.6	0	0	0	111.5	R283 N284 H286 I287 L291 C292 A293 F309 L315 P321	R283-Y289 HydrophobicContact CB-CE2 3.66Å; R283-Y289 HydrophobicContact CG-CE1 4.4Å; R283-Y289 HydrophobicContact CG-CE2 3.99Å; N284-Y289 HydrophobicContact CB-CE2 3.99Å; N284-Y289 PolarHBondContact N-OH 3.49Å; H286-Y289 PolarHBondContact O-N 2.95Å; I287-Y289 PolarHBondContact O-N 3.15Å; Y289-L291 VanDerWaalsContact C-N 3.35Å; Y289-C292 PolarHBondContact O-N 2.98Å; Y289-A293 WeakPolarHBondContact O-CB 3.25Å; Y289-A293 PolarHBondContact O-N 2.79Å; Y289-F309 HydrophobicContact CD1-CB 4.11Å; Y289-F309 HydrophobicContact CE1-CB 4.04Å; Y289-F309 HydrophobicContact CE1-CG 4.36Å; Y289-L315 HydrophobicContact CE1-CB 4.38Å; Y289-L315 HydrophobicContact CE2-CD2 4.2Å; Y289-L315 PolarHBondContact OH-O 3.34Å; Y289-P321 HydrophobicContact CE1-CB 4.26Å
290	Q	95.6	Very high	92.5	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-57.4	-47	171.5	-70.9	179.2	12.9	0	0	111.1	H286 I287 A293 A294 A331 Y332 T335	H286-Q290 WeakPolarHBondContact O-CG 3.29Å; H286-Q290 PolarHBondContact O-N 3.12Å; I287-Q290 WeakPolarHBondContact O-CB 3.44Å; I287-Q290 PolarHBondContact O-N 3.23Å; Q290-A293 PolarHBondContact O-N 3.38Å; Q290-A294 WeakPolarHBondContact O-CB 3.35Å; Q290-A294 PolarHBondContact O-N 3.17Å; Q290-A331 HydrophobicContact CG-CB 4.11Å; Q290-Y332 HydrophobicContact CB-CD2 4.2Å; Q290-T335 PolarHBondContact OE1-OG1 2.76Å
291	L	96.1	Very high	92.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.7	-46.6	176.2	-70	176.3	0	0	0	112.8	I287 Y289 A293 A294 R295 L301 L306 Y332 F353 L356	I287-L291 HydrophobicContact CD1-CG 4.42Å; I287-L291 HydrophobicContact CG1-CD1 4.38Å; I287-L291 HydrophobicContact CG1-CG 4.44Å; I287-L291 VanDerWaalsContact O-CG 3.28Å; I287-L291 WeakPolarHBondContact O-CG 3.1Å; I287-L291 PolarHBondContact O-N 3.4Å; Y289-L291 VanDerWaalsContact C-N 3.35Å; L291-A293 PolarHBondContact O-N 3.07Å; L291-A294 PolarHBondContact O-N 3.23Å; L291-R295 PolarHBondContact O-N 3.1Å; L291-R295 VanDerWaalsContact O-N 3.08Å; L291-L301 HydrophobicContact CD2-CD1 4.05Å; L291-L301 HydrophobicContact CD2-CD2 3.55Å; L291-L301 HydrophobicContact CD2-CG 4.48Å; L291-L306 HydrophobicContact CB-CD1 4.05Å; L291-L306 HydrophobicContact CB-CD2 4.36Å; L291-Y332 HydrophobicContact CD2-CD2 4.37Å; L291-Y332 HydrophobicContact CD2-CE2 3.83Å; L291-F353 HydrophobicContact CD2-CB 4.17Å; L291-F353 HydrophobicContact CD2-CD1 3.71Å; L291-F353 HydrophobicContact CD2-CD2 4.39Å; L291-F353 HydrophobicContact CD2-CE1 4.17Å; L291-F353 HydrophobicContact CD2-CG 3.84Å; L291-L356 HydrophobicContact CD1-CB 3.61Å; L291-L356 HydrophobicContact CD1-CD1 3.63Å; L291-L356 HydrophobicContact CD1-CG 4.3Å
292	C	94.3	Very high	92.9	Very high	7 Å²	7	28.1 Å²	28.1	5%	0.047	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-32.5	176.3	-78.2	0	0	0	0	112.7	F288 Y289 R295 C307	F288-C292 PolarHBondContact O-N 3.48Å; F288-C292 VanDerWaalsContact O-N 3.07Å; F288-C292 PolarHBondContact O-SG 2.92Å; Y289-C292 PolarHBondContact O-N 2.98Å; C292-R295 WeakPolarHBondContact O-CG 3.05Å; C292-R295 PolarHBondContact O-NH1 2.92Å; C292-C307 PolarHBondContact SG-O 3.05Å; C292-C307 VanDerWaalsContact SG-O 3.37Å
293	A	92.5	Very high	92.8	Very high	32 Å²	32	30.4 Å²	30.4	26%	0.264	19%	0.192	S	C	.	.	H	α-helix	trans	-71.3	-49.4	175.5	0	0	0	0	0	110.9	Y289 Q290 L291 R295 D328 M329	Y289-A293 WeakPolarHBondContact O-CB 3.25Å; Y289-A293 PolarHBondContact O-N 2.79Å; Q290-A293 PolarHBondContact O-N 3.38Å; L291-A293 PolarHBondContact O-N 3.07Å; A293-R295 VanDerWaalsContact C-N 3.28Å; A293-R295 PolarHBondContact O-N 3.07Å; A293-D328 HydrophobicContact CB-CB 3.91Å; A293-M329 HydrophobicContact CB-CB 4.5Å; A293-M329 HydrophobicContact CB-CE 4.38Å; A293-M329 WeakPolarHBondContact O-CE 3.45Å
294	A	94	Very high	92.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-78.2	-1.6	-174.4	0	0	0	0	0	115.9	Q290 L291 D296 D297 D298 L301 M329 Y332	Q290-A294 WeakPolarHBondContact O-CB 3.35Å; Q290-A294 PolarHBondContact O-N 3.17Å; L291-A294 PolarHBondContact O-N 3.23Å; A294-D296 PolarHBondContact O-N 2.93Å; A294-D297 PolarHBondContact O-N 3.27Å; A294-D298 PolarHBondContact O-N 2.94Å; A294-L301 HydrophobicContact CB-CD1 3.64Å; A294-M329 HydrophobicContact CB-CE 4.4Å; A294-M329 HydrophobicContact CB-SD 3.83Å; A294-Y332 HydrophobicContact CB-CD1 3.25Å; A294-Y332 HydrophobicContact CB-CD2 3.96Å; A294-Y332 HydrophobicContact CB-CE1 3.53Å; A294-Y332 HydrophobicContact CB-CE2 4.2Å; A294-Y332 HydrophobicContact CB-CG 3.47Å; A294-Y332 VanDerWaalsContact CB-CG 3.47Å
295	R	91.7	Very high	92.6	Very high	68 Å²	68	31.9 Å²	31.9	26%	0.257	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-33.8	-171.5	67.6	175.4	-171.3	-82.2	-18.5	115.7	L291 C292 A293 L306	L291-R295 PolarHBondContact O-N 3.1Å; L291-R295 VanDerWaalsContact O-N 3.08Å; C292-R295 WeakPolarHBondContact O-CG 3.05Å; C292-R295 PolarHBondContact O-NH1 2.92Å; A293-R295 VanDerWaalsContact C-N 3.28Å; A293-R295 PolarHBondContact O-N 3.07Å; R295-L306 HydrophobicContact CB-CB 3.74Å; R295-L306 VanDerWaalsContact CD-O 3.31Å; R295-L306 WeakPolarHBondContact CD-O 3.47Å
296	D	89.1	Confident	92.4	Very high	122 Å²	122	32.8 Å²	32.8	65%	0.652	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-15.2	-174.4	-59.3	-43.8	0	0	0	111.9	A294	A294-D296 PolarHBondContact O-N 2.93Å
297	D	88.7	Confident	92.1	Very high	113 Å²	113	34.7 Å²	34.7	60%	0.604	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-26.6	-170.5	-73.5	-26.3	0	0	0	113.7	A294 M329	A294-D297 PolarHBondContact O-N 3.27Å; D297-M329 HydrophobicContact CB-CE 4.26Å; D297-M329 HydrophobicContact CB-SD 4.31Å; D297-M329 WeakPolarHBondContact OD2-CE 3.32Å
298	D	89.8	Confident	91.8	Very high	16 Å²	16	39.4 Å²	39.4	9%	0.086	25%	0.246	C	C	.	.			trans	-107.1	117	-177.8	-166.2	-22.2	0	0	0	112	A294 V300 L301 Y332 K336	A294-D298 PolarHBondContact O-N 2.94Å; D298-V300 PolarHBondContact O-N 2.86Å; D298-V300 VanDerWaalsContact O-N 3.08Å; D298-V300 WeakPolarHBondContact OD1-CB 3.13Å; D298-V300 WeakPolarHBondContact OD1-CG2 3.15Å; D298-V300 PolarHBondContact OD1-N 3.45Å; D298-L301 HydrophobicContact CB-CD1 4.18Å; D298-L301 HydrophobicContact CB-CG 4.09Å; D298-L301 WeakPolarHBondContact O-CB 3.26Å; D298-L301 PolarHBondContact O-N 3.48Å; D298-Y332 HydrophobicContact CB-CE1 3.9Å; D298-Y332 WeakPolarHBondContact OD2-CE1 3.29Å; D298-Y332 VanDerWaalsContact OD2-CZ 3.3Å; D298-Y332 PolarHBondContact OD2-OH 3.4Å; D298-K336 IonicContact OD1-NZ 3.13Å; D298-K336 PolarHBondContact OD1-NZ 3.4Å; D298-K336 VanDerWaalsContact OD1-NZ 3.07Å; D298-K336 VanDerWaalsContact OD2-CD 3.23Å; D298-K336 WeakPolarHBondContact OD2-CD 3.31Å; D298-K336 WeakPolarHBondContact OD2-CE 3.48Å; D298-K336 IonicContact OD2-NZ 2.71Å; D298-K336 PolarHBondContact OD2-NZ 3.03Å
299	P	89.8	Confident	91.5	Very high	105 Å²	105	42 Å²	42	68%	0.682	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-53.9	-28.5	175.8	-26.6	34.7	0	0	0	114.4	L301 A302	P299-L301 PolarHBondContact O-N 3.22Å; P299-A302 VanDerWaalsContact O-CB 3.24Å; P299-A302 WeakPolarHBondContact O-CB 3.27Å; P299-A302 PolarHBondContact O-N 2.81Å; P299-A302 VanDerWaalsContact O-N 3.1Å
300	V	89.7	Confident	91.3	Very high	15 Å²	15	46.9 Å²	46.9	9%	0.091	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-64.5	-26.5	177.9	-175.5	0	0	0	0	111.3	D298 E346 M349 R350 F353	D298-V300 PolarHBondContact O-N 2.86Å; D298-V300 VanDerWaalsContact O-N 3.08Å; D298-V300 WeakPolarHBondContact OD1-CB 3.13Å; D298-V300 WeakPolarHBondContact OD1-CG2 3.15Å; D298-V300 PolarHBondContact OD1-N 3.45Å; V300-E346 WeakPolarHBondContact CG2-OE2 3.5Å; V300-M349 HydrophobicContact CG1-CB 4.42Å; V300-R350 HydrophobicContact CG1-CB 3.85Å; V300-R350 HydrophobicContact CG1-CG 4.4Å; V300-R350 PolarHBondContact O-NH1 3.32Å; V300-F353 HydrophobicContact CG1-CD2 3.86Å; V300-F353 HydrophobicContact CG1-CE2 4.22Å
301	L	92.4	Very high	91.1	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-90.8	-7.8	178.1	-56.9	-176.2	0	0	0	113.2	L291 A294 D298 P299 G303 L304 L306 Y332 F353	L291-L301 HydrophobicContact CD2-CD1 4.05Å; L291-L301 HydrophobicContact CD2-CD2 3.55Å; L291-L301 HydrophobicContact CD2-CG 4.48Å; A294-L301 HydrophobicContact CB-CD1 3.64Å; D298-L301 HydrophobicContact CB-CD1 4.18Å; D298-L301 HydrophobicContact CB-CG 4.09Å; D298-L301 WeakPolarHBondContact O-CB 3.26Å; D298-L301 PolarHBondContact O-N 3.48Å; P299-L301 PolarHBondContact O-N 3.22Å; L301-G303 PolarHBondContact O-N 2.88Å; L301-L304 HydrophobicContact CB-CD1 4.47Å; L301-L304 HydrophobicContact CD2-CD1 3.89Å; L301-L304 WeakPolarHBondContact O-CB 3.16Å; L301-L304 VanDerWaalsContact O-CG 3.28Å; L301-L304 WeakPolarHBondContact O-CG 3.17Å; L301-L304 PolarHBondContact O-N 3.44Å; L301-L306 HydrophobicContact CB-CD1 4.23Å; L301-L306 HydrophobicContact CD1-CD1 4.3Å; L301-L306 HydrophobicContact CD2-CD1 4.18Å; L301-L306 HydrophobicContact CG-CD1 4.48Å; L301-Y332 HydrophobicContact CD1-CE1 4.43Å; L301-Y332 HydrophobicContact CD1-CE2 4.05Å; L301-F353 HydrophobicContact CD2-CB 3.73Å; L301-F353 HydrophobicContact CD2-CD2 3.49Å; L301-F353 VanDerWaalsContact CD2-CD2 3.49Å; L301-F353 HydrophobicContact CD2-CE2 4.3Å; L301-F353 HydrophobicContact CD2-CG 3.8Å
302	A	88.8	Confident	91	Very high	55 Å²	55	49.7 Å²	49.7	46%	0.455	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	132.3	179.8	0	0	0	0	0	111.6	P299 L304 R350	P299-A302 VanDerWaalsContact O-CB 3.24Å; P299-A302 WeakPolarHBondContact O-CB 3.27Å; P299-A302 PolarHBondContact O-N 2.81Å; P299-A302 VanDerWaalsContact O-N 3.1Å; A302-L304 VanDerWaalsContact C-N 3.31Å; A302-R350 PolarHBondContact O-NH1 2.97Å; A302-R350 PolarHBondContact O-NH2 3.05Å
303	G	87.6	Confident	90.9	Very high	72 Å²	72	53.7 Å²	53.7	74%	0.742	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	5.9	-178.8	0	0	0	0	0	114.9	L301 G305	L301-G303 PolarHBondContact O-N 2.88Å; G303-G305 VanDerWaalsContact C-N 3.27Å; G303-G305 PolarHBondContact O-N 3.41Å
304	L	91.7	Very high	91	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	30%	0.295	C	S	.	.	S	Bend	trans	-82.7	-1.7	178.4	-58.9	-170.8	0	0	0	114.2	L301 A302 L306 F353 R354 A357 L395	L301-L304 HydrophobicContact CB-CD1 4.47Å; L301-L304 HydrophobicContact CD2-CD1 3.89Å; L301-L304 WeakPolarHBondContact O-CB 3.16Å; L301-L304 VanDerWaalsContact O-CG 3.28Å; L301-L304 WeakPolarHBondContact O-CG 3.17Å; L301-L304 PolarHBondContact O-N 3.44Å; A302-L304 VanDerWaalsContact C-N 3.31Å; L304-L306 HydrophobicContact CB-CD1 4.25Å; L304-L306 HydrophobicContact CB-CG 4.17Å; L304-L306 HydrophobicContact CD1-CD1 4.46Å; L304-L306 PolarHBondContact O-N 3.46Å; L304-F353 HydrophobicContact CD1-CB 3.94Å; L304-R354 HydrophobicContact CD2-CB 4.41Å; L304-R354 HydrophobicContact CD2-CG 3.37Å; L304-A357 HydrophobicContact CB-CB 4Å; L304-L395 HydrophobicContact CB-CD2 4.43Å; L304-L395 HydrophobicContact CD2-CD2 3.77Å
305	G	89.5	Confident	91	Very high	30 Å²	30	52.4 Å²	52.4	31%	0.309	30%	0.295	S	S	.	.			trans	58.4	32.3	-177	0	0	0	0	0	113.3	G303 H361	G303-G305 VanDerWaalsContact C-N 3.27Å; G303-G305 PolarHBondContact O-N 3.41Å; G305-H361 PolarHBondContact O-CE1 2.84Å; G305-H361 VanDerWaalsContact O-CE1 3.26Å; G305-H361 PolarHBondContact O-NE2 3.32Å
306	L	92.4	Very high	90.9	Very high	18 Å²	18	54 Å²	54	9%	0.094	30%	0.304	C	S	.	.			trans	-73.9	129.3	173.4	-71.4	167.4	0	0	0	109.1	L291 R295 L301 L304 A357 L360	L291-L306 HydrophobicContact CB-CD1 4.05Å; L291-L306 HydrophobicContact CB-CD2 4.36Å; R295-L306 HydrophobicContact CB-CB 3.74Å; R295-L306 VanDerWaalsContact CD-O 3.31Å; R295-L306 WeakPolarHBondContact CD-O 3.47Å; L301-L306 HydrophobicContact CB-CD1 4.23Å; L301-L306 HydrophobicContact CD1-CD1 4.3Å; L301-L306 HydrophobicContact CD2-CD1 4.18Å; L301-L306 HydrophobicContact CG-CD1 4.48Å; L304-L306 HydrophobicContact CB-CD1 4.25Å; L304-L306 HydrophobicContact CB-CG 4.17Å; L304-L306 HydrophobicContact CD1-CD1 4.46Å; L304-L306 PolarHBondContact O-N 3.46Å; L306-A357 HydrophobicContact CD2-CB 3.83Å; L306-A357 HydrophobicContact CG-CB 4.13Å; L306-L360 HydrophobicContact CD2-CD1 3.8Å
307	C	91.3	Very high	90.9	Very high	53 Å²	53	50.5 Å²	50.5	36%	0.358	28%	0.284	S	S	.	.			trans	-119.4	-158.9	177.4	-58.7	0	0	0	0	110.3	C292 D311 F312	C292-C307 PolarHBondContact SG-O 3.05Å; C292-C307 VanDerWaalsContact SG-O 3.37Å; C307-D311 HydrophobicContact CB-CB 3.96Å; C307-D311 WeakPolarHBondContact CB-OD2 3.4Å; C307-F312 HydrophobicContact CB-CE2 4.23Å; C307-F312 HydrophobicContact CB-CZ 4.27Å
308	K	90.9	Very high	90.6	Very high	98 Å²	98	45.1 Å²	45.1	43%	0.426	26%	0.255	S	S	.	.			trans	-77.9	155.6	175.7	-52.5	-150.8	-151.3	146.8	0	109.1	Y310 D311	K308-Y310 HydrophobicContact CB-CD1 3.95Å; K308-Y310 HydrophobicContact CB-CD2 4.38Å; K308-Y310 HydrophobicContact CB-CE1 3.49Å; K308-Y310 VanDerWaalsContact CB-CE1 3.49Å; K308-Y310 HydrophobicContact CB-CE2 3.95Å; K308-Y310 HydrophobicContact CB-CG 4.39Å; K308-Y310 VanDerWaalsContact CB-CZ 3.5Å; K308-Y310 HydrophobicContact CD-CE1 3.69Å; K308-Y310 WeakPolarHBondContact CD-OH 3.31Å; K308-Y310 VanDerWaalsContact CE-OH 3.25Å; K308-Y310 WeakPolarHBondContact CE-OH 3.47Å; K308-Y310 HydrophobicContact CG-CE1 4.1Å; K308-Y310 PolarHBondContact NZ-OH 3.17Å; K308-Y310 PolarHBondContact O-N 2.85Å; K308-D311 PolarHBondContact N-OD2 2.87Å; K308-D311 WeakPolarHBondContact O-CB 3.31Å; K308-D311 PolarHBondContact O-N 2.83Å
309	F	89.9	Confident	90.3	Very high	56 Å²	56	50.8 Å²	50.8	25%	0.246	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-55.9	-30.5	-174.7	72	-91.4	0	0	0	113.5	Y289 D311 F312 L315 P321	Y289-F309 HydrophobicContact CD1-CB 4.11Å; Y289-F309 HydrophobicContact CE1-CB 4.04Å; Y289-F309 HydrophobicContact CE1-CG 4.36Å; F309-D311 PolarHBondContact O-N 3.11Å; F309-F312 PolarHBondContact O-N 3.33Å; F309-L315 HydrophobicContact CB-CB 4.16Å; F309-L315 HydrophobicContact CB-CD1 4.12Å; F309-L315 WeakPolarHBondContact O-CB 3.48Å; F309-P321 HydrophobicContact CD1-CB 4.1Å; F309-P321 HydrophobicContact CD2-CB 3.49Å; F309-P321 VanDerWaalsContact CD2-CB 3.49Å; F309-P321 HydrophobicContact CD2-CG 4.2Å; F309-P321 HydrophobicContact CE1-CB 3.84Å; F309-P321 HydrophobicContact CE1-CG 4Å; F309-P321 HydrophobicContact CE2-CB 3.21Å; F309-P321 HydrophobicContact CE2-CG 3.39Å; F309-P321 HydrophobicContact CG-CB 3.96Å; F309-P321 HydrophobicContact CZ-CB 3.41Å; F309-P321 VanDerWaalsContact CZ-CB 3.41Å; F309-P321 HydrophobicContact CZ-CG 3.27Å
310	Y	90.7	Very high	89.9	Confident	110 Å²	110	46.9 Å²	46.9	43%	0.431	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-73.7	-14.3	-177.6	52	-108.8	0	0	0	113.4	K308 F312 K316	K308-Y310 HydrophobicContact CB-CD1 3.95Å; K308-Y310 HydrophobicContact CB-CD2 4.38Å; K308-Y310 HydrophobicContact CB-CE1 3.49Å; K308-Y310 VanDerWaalsContact CB-CE1 3.49Å; K308-Y310 HydrophobicContact CB-CE2 3.95Å; K308-Y310 HydrophobicContact CB-CG 4.39Å; K308-Y310 VanDerWaalsContact CB-CZ 3.5Å; K308-Y310 HydrophobicContact CD-CE1 3.69Å; K308-Y310 WeakPolarHBondContact CD-OH 3.31Å; K308-Y310 VanDerWaalsContact CE-OH 3.25Å; K308-Y310 WeakPolarHBondContact CE-OH 3.47Å; K308-Y310 HydrophobicContact CG-CE1 4.1Å; K308-Y310 PolarHBondContact NZ-OH 3.17Å; K308-Y310 PolarHBondContact O-N 2.85Å; Y310-F312 VanDerWaalsContact C-N 3.26Å; Y310-K316 VanDerWaalsContact O-CD 3.32Å; Y310-K316 WeakPolarHBondContact O-CD 3.43Å
311	D	91.4	Very high	89.4	Confident	67 Å²	67	47.7 Å²	47.7	36%	0.358	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-77.9	-15.3	175.1	-55.6	-44.4	0	0	0	111.4	C307 K308 F309 N364	C307-D311 HydrophobicContact CB-CB 3.96Å; C307-D311 WeakPolarHBondContact CB-OD2 3.4Å; K308-D311 PolarHBondContact N-OD2 2.87Å; K308-D311 WeakPolarHBondContact O-CB 3.31Å; K308-D311 PolarHBondContact O-N 2.83Å; F309-D311 PolarHBondContact O-N 3.11Å; D311-N364 PolarHBondContact O-ND2 3.21Å; D311-N364 PolarHBondContact O-OD1 3.44Å
312	F	94.2	Very high	89	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.009	30%	0.301	C	S	.	.	S	Bend	trans	-106.9	122.8	-177.9	-60.3	-65.1	0	0	0	112.1	C307 F309 Y310 Y314 L315 K316 L360 H361	C307-F312 HydrophobicContact CB-CE2 4.23Å; C307-F312 HydrophobicContact CB-CZ 4.27Å; F309-F312 PolarHBondContact O-N 3.33Å; Y310-F312 VanDerWaalsContact C-N 3.26Å; F312-Y314 VanDerWaalsContact C-N 3.27Å; F312-Y314 PolarHBondContact O-N 3.37Å; F312-L315 HydrophobicContact CB-CB 4.31Å; F312-L315 HydrophobicContact CB-CD1 4.21Å; F312-L315 HydrophobicContact CB-CG 4.11Å; F312-L315 HydrophobicContact CD2-CD1 4.15Å; F312-L315 PolarHBondContact O-N 2.71Å; F312-K316 PolarHBondContact O-N 2.73Å; F312-K316 VanDerWaalsContact O-N 3.14Å; F312-L360 HydrophobicContact CB-CB 4.45Å; F312-L360 HydrophobicContact CB-CD2 4.3Å; F312-L360 HydrophobicContact CD1-CB 3.56Å; F312-L360 HydrophobicContact CD2-CB 4.37Å; F312-L360 HydrophobicContact CD2-CD1 4.05Å; F312-L360 HydrophobicContact CE1-CB 3.75Å; F312-L360 HydrophobicContact CE2-CD1 4.05Å; F312-L360 HydrophobicContact CG-CB 3.87Å; F312-L360 HydrophobicContact CG-CD1 4.35Å; F312-L360 HydrophobicContact CG-CD2 4.37Å; F312-L360 HydrophobicContact CG-CG 4.44Å; F312-L360 HydrophobicContact CZ-CB 4.25Å; F312-L360 HydrophobicContact CZ-CD1 4.35Å; F312-H361 AromaticContact CE1-CE1 3.75Å; F312-H361 AromaticContact CE1-ND1 3.98Å; F312-H361 AromaticContact CE1-NE2 3.93Å
313	Y	93.7	Very high	88.7	Confident	91 Å²	91	54.1 Å²	54.1	36%	0.357	29%	0.285	S	S	.	.	H	α-helix	trans	-55.1	-41.9	179.4	178	-107.4	0	0	0	112.2	L315 Q317 G363 N364	Y313-L315 PolarHBondContact O-N 2.72Å; Y313-Q317 WeakPolarHBondContact O-CG 3.33Å; Y313-Q317 PolarHBondContact O-NE2 3.43Å; Y313-G363 VanDerWaalsContact CB-O 3.3Å; Y313-G363 WeakPolarHBondContact CB-O 3.49Å; Y313-G363 VanDerWaalsContact CD1-O 3.29Å; Y313-G363 WeakPolarHBondContact CD1-O 3.38Å; Y313-N364 WeakPolarHBondContact CB-OD1 3.3Å; Y313-N364 PolarHBondContact N-OD1 3.16Å
314	Y	94.5	Very high	88.3	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-71	-10.3	178.7	-69.9	-21	0	0	0	115.1	V275 V276 Q278 N284 F312 L359 D433 A436	V275-Y314 WeakPolarHBondContact O-CB 3.4Å; V276-Y314 HydrophobicContact CB-CD1 4.25Å; V276-Y314 HydrophobicContact CB-CE1 3.73Å; V276-Y314 HydrophobicContact CG1-CE1 3.89Å; V276-Y314 HydrophobicContact CG1-CE2 4.27Å; Q278-Y314 PolarHBondContact NE2-O 3.39Å; Q278-Y314 PolarHBondContact OE1-O 2.92Å; N284-Y314 PolarHBondContact ND2-O 2.84Å; F312-Y314 VanDerWaalsContact C-N 3.27Å; F312-Y314 PolarHBondContact O-N 3.37Å; Y314-L359 WeakPolarHBondContact CD2-O 3.32Å; Y314-L359 WeakPolarHBondContact CE2-O 3.47Å; Y314-D433 WeakPolarHBondContact CE1-OD1 3.48Å; Y314-D433 PolarHBondContact OH-OD1 3.22Å; Y314-A436 HydrophobicContact CE2-CB 3.77Å
315	L	94	Very high	87.8	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-111.7	-17.7	-179.4	-57	-175.6	0	0	0	113.7	N284 F288 Y289 F309 F312 Y313 L360	N284-L315 HydrophobicContact CB-CD2 3.63Å; F288-L315 HydrophobicContact CB-CD1 4.03Å; F288-L315 HydrophobicContact CB-CD2 3.54Å; F288-L315 HydrophobicContact CB-CG 4.4Å; F288-L315 HydrophobicContact CD2-CD2 4.21Å; F288-L315 HydrophobicContact CG-CD2 4Å; Y289-L315 HydrophobicContact CE1-CB 4.38Å; Y289-L315 HydrophobicContact CE2-CD2 4.2Å; Y289-L315 PolarHBondContact OH-O 3.34Å; F309-L315 HydrophobicContact CB-CB 4.16Å; F309-L315 HydrophobicContact CB-CD1 4.12Å; F309-L315 WeakPolarHBondContact O-CB 3.48Å; F312-L315 HydrophobicContact CB-CB 4.31Å; F312-L315 HydrophobicContact CB-CD1 4.21Å; F312-L315 HydrophobicContact CB-CG 4.11Å; F312-L315 HydrophobicContact CD2-CD1 4.15Å; F312-L315 PolarHBondContact O-N 2.71Å; Y313-L315 PolarHBondContact O-N 2.72Å; L315-L360 HydrophobicContact CD1-CD1 4.21Å; L315-L360 HydrophobicContact CD1-CD2 3.65Å; L315-L360 HydrophobicContact CD2-CD2 3.91Å; L315-L360 HydrophobicContact CG-CD2 3.64Å
316	K	89.5	Confident	87.7	Confident	101 Å²	101	61.5 Å²	61.5	44%	0.439	33%	0.332	S	S	.	.	H	α-helix	trans	-90.6	-11.1	-176	75.5	-170.9	-176.5	-173.8	0	115.3	Y310 F312	Y310-K316 VanDerWaalsContact O-CD 3.32Å; Y310-K316 WeakPolarHBondContact O-CD 3.43Å; F312-K316 PolarHBondContact O-N 2.73Å; F312-K316 VanDerWaalsContact O-N 3.14Å
317	Q	88	Confident	87.6	Confident	49 Å²	49	65 Å²	65	23%	0.229	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-38.5	-173.4	-62.5	168.4	46.6	0	0	113.7	V276 Y313 L319	V276-Q317 PolarHBondContact O-NE2 3.32Å; V276-Q317 PolarHBondContact O-OE1 3.4Å; Y313-Q317 WeakPolarHBondContact O-CG 3.33Å; Y313-Q317 PolarHBondContact O-NE2 3.43Å; Q317-L319 VanDerWaalsContact C-N 3.29Å; Q317-L319 PolarHBondContact O-N 2.95Å
318	G	83.7	Confident	87.7	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-12.4	-174.2	0	0	0	0	0	115.4	S279 G281 E282 A320	S279-G318 WeakPolarHBondContact O-CA 3.47Å; G281-G318 PolarHBondContact N-O 3.3Å; E282-G318 CarbonylContact O-C 3.36Å; E282-G318 VanDerWaalsContact O-CA 3.32Å; E282-G318 WeakPolarHBondContact O-CA 3.28Å; G318-A320 PolarHBondContact O-N 3.35Å
319	L	82.7	Confident	87.8	Confident	136 Å²	136	60.4 Å²	60.4	71%	0.712	33%	0.327	S	S	*	.	S	Bend	trans	57.2	7.1	179	-54.8	176	0	0	0	116.4	Q317 P321	Q317-L319 VanDerWaalsContact C-N 3.29Å; Q317-L319 PolarHBondContact O-N 2.95Å; L319-P321 WeakPolarHBondContact O-CD 3.5Å
320	A	81.7	Confident	87.9	Confident	22 Å²	22	62.4 Å²	62.4	18%	0.182	34%	0.34	C	S	.	.			trans	-121.7	61.5	178.3	0	0	0	0	0	113	K236 G281 R283 G318 K322	K236-A320 HydrophobicContact CD-CB 4.27Å; G281-A320 VanDerWaalsContact C-CB 3.43Å; G281-A320 VanDerWaalsContact O-CB 3.24Å; G281-A320 WeakPolarHBondContact O-CB 3.36Å; R283-A320 WeakPolarHBondContact CG-O 3.06Å; G318-A320 PolarHBondContact O-N 3.35Å; A320-K322 PolarHBondContact O-N 2.92Å; A320-K322 VanDerWaalsContact O-N 3.09Å
321	P	79.2	Confident	88.1	Confident	32 Å²	32	57.9 Å²	57.9	21%	0.208	33%	0.325	C	S	.	.			trans	-84	19.4	-167.7	39.5	-41.7	0	0	0	113.2	R283 Y289 F309 L319	R283-P321 VanDerWaalsContact CZ-O 3.31Å; R283-P321 PolarHBondContact NE-O 3.27Å; R283-P321 PolarHBondContact NH2-O 3.04Å; Y289-P321 HydrophobicContact CE1-CB 4.26Å; F309-P321 HydrophobicContact CD1-CB 4.1Å; F309-P321 HydrophobicContact CD2-CB 3.49Å; F309-P321 VanDerWaalsContact CD2-CB 3.49Å; F309-P321 HydrophobicContact CD2-CG 4.2Å; F309-P321 HydrophobicContact CE1-CB 3.84Å; F309-P321 HydrophobicContact CE1-CG 4Å; F309-P321 HydrophobicContact CE2-CB 3.21Å; F309-P321 HydrophobicContact CE2-CG 3.39Å; F309-P321 HydrophobicContact CG-CB 3.96Å; F309-P321 HydrophobicContact CZ-CB 3.41Å; F309-P321 VanDerWaalsContact CZ-CB 3.41Å; F309-P321 HydrophobicContact CZ-CG 3.27Å; L319-P321 WeakPolarHBondContact O-CD 3.5Å
322	K	83.1	Confident	88.2	Confident	171 Å²	171	54.9 Å²	54.9	74%	0.743	31%	0.308	S	S	*	.			trans	-133	137.6	175.4	-72	-171.3	178.9	-177.8	0	110.6	R283 A320	R283-K322 VanDerWaalsContact NH2-CA 3.29Å; A320-K322 PolarHBondContact O-N 2.92Å; A320-K322 VanDerWaalsContact O-N 3.09Å
323	L	83.3	Confident	88.3	Confident	22 Å²	22	60.7 Å²	60.7	12%	0.115	33%	0.334	C	S	.	.			trans	-98.2	137.7	172.3	-68.7	169.9	0	0	0	109.3	K236 D241 R283 G325 V326	K236-L323 HydrophobicContact CB-CD2 3.96Å; K236-L323 HydrophobicContact CD-CD2 4.03Å; K236-L323 HydrophobicContact CG-CD2 4.12Å; D241-L323 HydrophobicContact CB-CD2 3.9Å; D241-L323 WeakPolarHBondContact O-CD2 3.41Å; R283-L323 VanDerWaalsContact NH1-CD1 3.28Å; R283-L323 VanDerWaalsContact NH1-CG 3.35Å; L323-G325 PolarHBondContact O-N 2.91Å; L323-V326 HydrophobicContact CB-CB 3.84Å; L323-V326 HydrophobicContact CB-CG2 4.22Å; L323-V326 HydrophobicContact CD1-CB 4.14Å; L323-V326 HydrophobicContact CD1-CG1 4.17Å; L323-V326 HydrophobicContact CD1-CG2 4.42Å
324	S	80	Confident	88.2	Confident	93 Å²	93	61.9 Å²	61.9	65%	0.65	34%	0.343	S	S	*	.	S	Bend	trans	-72.4	124.3	173.4	48.7	0	0	0	0	110	V326	S324-V326 VanDerWaalsContact C-N 3.26Å; S324-V326 PolarHBondContact O-N 3.43Å
325	G	81.2	Confident	88.2	Confident	91 Å²	91	61.9 Å²	61.9	94%	0.938	34%	0.343	S	S	*	.	S	Bend	trans	79	-4.2	175.3	0	0	0	0	0	115.9	L323	L323-G325 PolarHBondContact O-N 2.91Å
326	V	86	Confident	88.2	Confident	75 Å²	75	63.5 Å²	63.5	46%	0.455	35%	0.35	S	S	.	.			trans	-107.5	126.8	179.4	-178.8	0	0	0	0	109.9	L323 S324	L323-V326 HydrophobicContact CB-CB 3.84Å; L323-V326 HydrophobicContact CB-CG2 4.22Å; L323-V326 HydrophobicContact CD1-CB 4.14Å; L323-V326 HydrophobicContact CD1-CG1 4.17Å; L323-V326 HydrophobicContact CD1-CG2 4.42Å; S324-V326 VanDerWaalsContact C-N 3.26Å; S324-V326 PolarHBondContact O-N 3.43Å
327	N	91.4	Very high	88.3	Confident	91 Å²	91	63.5 Å²	63.5	49%	0.487	36%	0.355	S	S	.	.			trans	-95	108	169.8	-175	-16.3	0	0	0	109.3	M329 L330 A331	N327-M329 PolarHBondContact O-N 3.48Å; N327-M329 VanDerWaalsContact O-N 3.1Å; N327-M329 VanDerWaalsContact OD1-CB 3.27Å; N327-M329 WeakPolarHBondContact OD1-CB 3.44Å; N327-M329 PolarHBondContact OD1-N 3.36Å; N327-L330 HydrophobicContact CB-CB 4.22Å; N327-L330 HydrophobicContact CB-CD1 4.06Å; N327-L330 HydrophobicContact CB-CG 4.1Å; N327-L330 PolarHBondContact O-N 3.16Å; N327-A331 PolarHBondContact O-N 3.2Å
328	D	93.1	Very high	88.5	Confident	27 Å²	27	61.3 Å²	61.3	14%	0.144	35%	0.345	C	S	.	.	H	α-helix	trans	-56.2	-27.8	-178.7	-69.4	-54.7	0	0	0	112.2	R283 A293 Y332	R283-D328 IonicContact CZ-OD1 3.31Å; R283-D328 IonicContact CZ-OD2 3.07Å; R283-D328 IonicContact NH1-OD1 2.99Å; R283-D328 PolarHBondContact NH1-OD1 3.02Å; R283-D328 IonicContact NH1-OD2 3.83Å; R283-D328 PolarHBondContact NH1-OD2 3.29Å; R283-D328 IonicContact NH2-OD1 3.37Å; R283-D328 IonicContact NH2-OD2 2.87Å; R283-D328 PolarHBondContact NH2-OD2 3.44Å; A293-D328 HydrophobicContact CB-CB 3.91Å; D328-Y332 WeakPolarHBondContact O-CB 3.3Å; D328-Y332 PolarHBondContact O-N 3.26Å
329	M	92.5	Very high	88.9	Confident	29 Å²	29	61.3 Å²	61.3	14%	0.143	35%	0.345	C	S	.	.	H	α-helix	trans	-69.5	-42.9	174.5	-177.6	65.1	71	0	0	113.1	A293 A294 D297 N327 Y332 K333	A293-M329 HydrophobicContact CB-CB 4.5Å; A293-M329 HydrophobicContact CB-CE 4.38Å; A293-M329 WeakPolarHBondContact O-CE 3.45Å; A294-M329 HydrophobicContact CB-CE 4.4Å; A294-M329 HydrophobicContact CB-SD 3.83Å; D297-M329 HydrophobicContact CB-CE 4.26Å; D297-M329 HydrophobicContact CB-SD 4.31Å; D297-M329 WeakPolarHBondContact OD2-CE 3.32Å; N327-M329 PolarHBondContact O-N 3.48Å; N327-M329 VanDerWaalsContact O-N 3.1Å; N327-M329 VanDerWaalsContact OD1-CB 3.27Å; N327-M329 WeakPolarHBondContact OD1-CB 3.44Å; N327-M329 PolarHBondContact OD1-N 3.36Å; M329-Y332 WeakPolarHBondContact O-CB 3.21Å; M329-Y332 PolarHBondContact O-N 3.24Å; M329-K333 PolarHBondContact O-N 3.14Å
330	L	92.7	Very high	89.3	Confident	98 Å²	98	57.6 Å²	57.6	51%	0.513	33%	0.33	S	S	.	.	H	α-helix	trans	-69	-41.6	177.8	-68.1	178.9	0	0	0	110.1	N327 Y332 K333 E334	N327-L330 HydrophobicContact CB-CB 4.22Å; N327-L330 HydrophobicContact CB-CD1 4.06Å; N327-L330 HydrophobicContact CB-CG 4.1Å; N327-L330 PolarHBondContact O-N 3.16Å; L330-Y332 VanDerWaalsContact C-N 3.27Å; L330-Y332 PolarHBondContact O-N 3.36Å; L330-K333 WeakPolarHBondContact O-CB 3.28Å; L330-K333 PolarHBondContact O-N 3.21Å; L330-K333 VanDerWaalsContact O-N 3.08Å; L330-E334 PolarHBondContact O-N 2.71Å
331	A	93.2	Very high	89.5	Confident	14 Å²	14	58.2 Å²	58.2	12%	0.116	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-37.5	174.5	0	0	0	0	0	111.9	Q290 N327 K333 E334 T335	Q290-A331 HydrophobicContact CG-CB 4.11Å; N327-A331 PolarHBondContact O-N 3.2Å; A331-K333 PolarHBondContact O-N 3.13Å; A331-E334 PolarHBondContact O-N 3.28Å; A331-T335 PolarHBondContact O-N 2.9Å; A331-T335 PolarHBondContact O-OG1 3.17Å
332	Y	95.4	Very high	89.9	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.016	32%	0.32	C	S	.	.	H	α-helix	trans	-59	-45.9	172.2	174.9	-101.4	0	0	0	112.3	Q290 L291 A294 D298 L301 D328 M329 L330 E334 T335 K336 F353	Q290-Y332 HydrophobicContact CB-CD2 4.2Å; L291-Y332 HydrophobicContact CD2-CD2 4.37Å; L291-Y332 HydrophobicContact CD2-CE2 3.83Å; A294-Y332 HydrophobicContact CB-CD1 3.25Å; A294-Y332 HydrophobicContact CB-CD2 3.96Å; A294-Y332 HydrophobicContact CB-CE1 3.53Å; A294-Y332 HydrophobicContact CB-CE2 4.2Å; A294-Y332 HydrophobicContact CB-CG 3.47Å; A294-Y332 VanDerWaalsContact CB-CG 3.47Å; D298-Y332 HydrophobicContact CB-CE1 3.9Å; D298-Y332 WeakPolarHBondContact OD2-CE1 3.29Å; D298-Y332 VanDerWaalsContact OD2-CZ 3.3Å; D298-Y332 PolarHBondContact OD2-OH 3.4Å; L301-Y332 HydrophobicContact CD1-CE1 4.43Å; L301-Y332 HydrophobicContact CD1-CE2 4.05Å; D328-Y332 WeakPolarHBondContact O-CB 3.3Å; D328-Y332 PolarHBondContact O-N 3.26Å; M329-Y332 WeakPolarHBondContact O-CB 3.21Å; M329-Y332 PolarHBondContact O-N 3.24Å; L330-Y332 VanDerWaalsContact C-N 3.27Å; L330-Y332 PolarHBondContact O-N 3.36Å; Y332-E334 VanDerWaalsContact C-N 3.3Å; Y332-E334 PolarHBondContact O-N 3.09Å; Y332-T335 PolarHBondContact O-N 3.36Å; Y332-K336 HydrophobicContact CE1-CD 4.35Å; Y332-K336 PolarHBondContact O-N 3.14Å; Y332-F353 HydrophobicContact CE2-CE2 4.14Å; Y332-F353 AromaticContact CE2-CZ 3.99Å; Y332-F353 HydrophobicContact CE2-CZ 3.99Å; Y332-F353 WeakPolarHBondContact OH-CE2 3.43Å
333	K	94.5	Very high	89.8	Confident	124 Å²	124	50.7 Å²	50.7	54%	0.539	31%	0.307	S	S	.	.	H	α-helix	trans	-61.9	-38.7	178.3	-68.3	178.2	-179.6	-178.7	0	111.7	M329 L330 A331 K336 N337	M329-K333 PolarHBondContact O-N 3.14Å; L330-K333 WeakPolarHBondContact O-CB 3.28Å; L330-K333 PolarHBondContact O-N 3.21Å; L330-K333 VanDerWaalsContact O-N 3.08Å; A331-K333 PolarHBondContact O-N 3.13Å; K333-K336 PolarHBondContact O-N 3.37Å; K333-N337 WeakPolarHBondContact O-CB 3.23Å; K333-N337 PolarHBondContact O-N 3.13Å
334	E	93.3	Very high	90	Very high	117 Å²	117	50 Å²	50	55%	0.547	30%	0.303	S	S	.	.	H	α-helix	trans	-63.6	-45.7	173.9	-69.1	176.1	171.5	0	0	111.7	L330 A331 Y332 K336 N337 A338	L330-E334 PolarHBondContact O-N 2.71Å; A331-E334 PolarHBondContact O-N 3.28Å; Y332-E334 VanDerWaalsContact C-N 3.3Å; Y332-E334 PolarHBondContact O-N 3.09Å; E334-K336 PolarHBondContact O-N 3.04Å; E334-N337 PolarHBondContact O-N 2.97Å; E334-A338 WeakPolarHBondContact O-CB 3.33Å; E334-A338 PolarHBondContact O-N 3.36Å
335	T	94.6	Very high	90.3	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-60.2	-44.6	175.6	-56.1	0	0	0	0	111.6	L228 A231 F232 I287 Q290 A331 Y332 A338 L339	L228-T335 HydrophobicContact CD1-CG2 4.21Å; A231-T335 HydrophobicContact CB-CG2 3.79Å; A231-T335 WeakPolarHBondContact CB-OG1 3.49Å; F232-T335 HydrophobicContact CE2-CG2 4.04Å; I287-T335 HydrophobicContact CD1-CG2 4.11Å; Q290-T335 PolarHBondContact OE1-OG1 2.76Å; A331-T335 PolarHBondContact O-N 2.9Å; A331-T335 PolarHBondContact O-OG1 3.17Å; Y332-T335 PolarHBondContact O-N 3.36Å; T335-A338 PolarHBondContact O-N 3.16Å; T335-L339 HydrophobicContact CG2-CD1 4.48Å; T335-L339 WeakPolarHBondContact O-CG 3.25Å; T335-L339 PolarHBondContact O-N 3.11Å
336	K	93.4	Very high	90.7	Very high	35 Å²	35	52.8 Å²	52.8	15%	0.152	28%	0.279	C	S	.	.	H	α-helix	trans	-64.3	-41.6	178	-171.6	177.3	-177.1	179.8	0	112.2	D298 Y332 K333 E334 A338 L339 S340 E346 M349	D298-K336 IonicContact OD1-NZ 3.13Å; D298-K336 PolarHBondContact OD1-NZ 3.4Å; D298-K336 VanDerWaalsContact OD1-NZ 3.07Å; D298-K336 VanDerWaalsContact OD2-CD 3.23Å; D298-K336 WeakPolarHBondContact OD2-CD 3.31Å; D298-K336 WeakPolarHBondContact OD2-CE 3.48Å; D298-K336 IonicContact OD2-NZ 2.71Å; D298-K336 PolarHBondContact OD2-NZ 3.03Å; Y332-K336 HydrophobicContact CE1-CD 4.35Å; Y332-K336 PolarHBondContact O-N 3.14Å; K333-K336 PolarHBondContact O-N 3.37Å; E334-K336 PolarHBondContact O-N 3.04Å; K336-A338 VanDerWaalsContact C-N 3.34Å; K336-L339 PolarHBondContact O-N 3.41Å; K336-S340 PolarHBondContact O-N 3.45Å; K336-S340 PolarHBondContact O-OG 3.07Å; K336-E346 WeakPolarHBondContact CE-OE1 3.36Å; K336-E346 WeakPolarHBondContact CE-OE2 3.49Å; K336-E346 IonicContact NZ-OE1 3.82Å; K336-E346 PolarHBondContact NZ-OE1 3.21Å; K336-E346 IonicContact NZ-OE2 3.25Å; K336-E346 PolarHBondContact NZ-OE2 3.27Å; K336-M349 HydrophobicContact CG-SD 3.79Å
337	N	92.2	Very high	90.7	Very high	102 Å²	102	55.1 Å²	55.1	55%	0.545	29%	0.289	S	S	.	.	H	α-helix	trans	-62.2	-43.8	173.9	-172.6	16.9	0	0	0	111	K333 E334 L339 S340 I341	K333-N337 WeakPolarHBondContact O-CB 3.23Å; K333-N337 PolarHBondContact O-N 3.13Å; E334-N337 PolarHBondContact O-N 2.97Å; N337-L339 PolarHBondContact O-N 3.32Å; N337-S340 WeakPolarHBondContact O-CB 3.35Å; N337-S340 PolarHBondContact O-N 3.01Å; N337-S340 VanDerWaalsContact O-N 3.09Å; N337-I341 WeakPolarHBondContact O-CG1 3.18Å; N337-I341 PolarHBondContact O-N 3.42Å
338	A	91.7	Very high	90.5	Very high	3 Å²	3	53.4 Å²	53.4	3%	0.025	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-42.9	176.7	0	0	0	0	0	112.3	A224 L228 E334 T335 K336 S340 I341 Y342	A224-A338 HydrophobicContact CB-CB 4.49Å; L228-A338 HydrophobicContact CB-CB 3.86Å; E334-A338 WeakPolarHBondContact O-CB 3.33Å; E334-A338 PolarHBondContact O-N 3.36Å; T335-A338 PolarHBondContact O-N 3.16Å; K336-A338 VanDerWaalsContact C-N 3.34Å; A338-S340 VanDerWaalsContact C-N 3.27Å; A338-S340 PolarHBondContact O-N 3.29Å; A338-I341 WeakPolarHBondContact O-CB 3.29Å; A338-I341 PolarHBondContact O-N 3.47Å; A338-Y342 WeakPolarHBondContact O-CD2 3.32Å; A338-Y342 PolarHBondContact O-N 3.33Å
339	L	91.8	Very high	90.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.6	-41.1	172.5	-69.5	167.7	0	0	0	111.5	L228 T335 K336 N337 I341 Y342 L344 M349 I352 F353	L228-L339 HydrophobicContact CD1-CD2 3.49Å; L228-L339 VanDerWaalsContact CD1-CD2 3.49Å; L228-L339 HydrophobicContact CD1-CG 3.84Å; L228-L339 HydrophobicContact CD2-CD2 4.3Å; T335-L339 HydrophobicContact CG2-CD1 4.48Å; T335-L339 WeakPolarHBondContact O-CG 3.25Å; T335-L339 PolarHBondContact O-N 3.11Å; K336-L339 PolarHBondContact O-N 3.41Å; N337-L339 PolarHBondContact O-N 3.32Å; L339-I341 PolarHBondContact O-N 2.86Å; L339-Y342 CarbonylContact O-C 3.53Å; L339-Y342 PolarHBondContact O-N 3.31Å; L339-L344 HydrophobicContact CB-CB 4.43Å; L339-L344 HydrophobicContact CB-CD1 4.29Å; L339-L344 HydrophobicContact CD2-CD1 3.45Å; L339-L344 VanDerWaalsContact CD2-CD1 3.45Å; L339-L344 HydrophobicContact CG-CD1 4.47Å; L339-L344 WeakPolarHBondContact O-CB 3.41Å; L339-L344 PolarHBondContact O-N 2.8Å; L339-M349 HydrophobicContact CB-CE 3.55Å; L339-M349 HydrophobicContact CB-CG 4.24Å; L339-M349 HydrophobicContact CB-SD 4.11Å; L339-M349 HydrophobicContact CD1-CG 4.18Å; L339-M349 HydrophobicContact CD1-SD 4.37Å; L339-I352 HydrophobicContact CD2-CD1 4.16Å; L339-F353 HydrophobicContact CD1-CE1 4.03Å; L339-F353 HydrophobicContact CD1-CZ 3.73Å
340	S	90.6	Very high	90.3	Very high	57 Å²	57	54.7 Å²	54.7	40%	0.399	28%	0.281	S	S	.	.	H	α-helix	trans	-64.8	-39	179	-53.8	0	0	0	0	112	K336 N337 A338 Y342 G343 M349	K336-S340 PolarHBondContact O-N 3.45Å; K336-S340 PolarHBondContact O-OG 3.07Å; N337-S340 WeakPolarHBondContact O-CB 3.35Å; N337-S340 PolarHBondContact O-N 3.01Å; N337-S340 VanDerWaalsContact O-N 3.09Å; A338-S340 VanDerWaalsContact C-N 3.27Å; A338-S340 PolarHBondContact O-N 3.29Å; S340-Y342 PolarHBondContact O-N 3.29Å; S340-G343 PolarHBondContact O-N 2.91Å; S340-M349 VanDerWaalsContact N-CE 3.35Å; S340-M349 WeakPolarHBondContact OG-CE 3.36Å
341	I	87.3	Confident	90.1	Very high	36 Å²	36	51.7 Å²	51.7	19%	0.185	27%	0.268	C	S	.	.	H	α-helix	trans	-60.8	-36.2	175.9	-70.3	167.4	0	0	0	111.1	V216 Q221 A224 N337 A338 L339 G343	V216-I341 HydrophobicContact CB-CG2 4.43Å; V216-I341 HydrophobicContact CG1-CG2 4.01Å; Q221-I341 HydrophobicContact CB-CG2 4.5Å; Q221-I341 HydrophobicContact CG-CG2 4.02Å; A224-I341 HydrophobicContact CB-CD1 3.71Å; A224-I341 HydrophobicContact CB-CG2 4.26Å; N337-I341 WeakPolarHBondContact O-CG1 3.18Å; N337-I341 PolarHBondContact O-N 3.42Å; A338-I341 WeakPolarHBondContact O-CB 3.29Å; A338-I341 PolarHBondContact O-N 3.47Å; L339-I341 PolarHBondContact O-N 2.86Å; I341-G343 PolarHBondContact O-N 2.79Å
342	Y	85.7	Confident	90.1	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	23.6	174.6	-67.7	-66.5	0	0	0	113.5	Q221 C225 L228 A338 L339 S340 L344 V451 N454 L455	Q221-Y342 HydrophobicContact CB-CE1 4.47Å; Q221-Y342 PolarHBondContact O-OH 2.88Å; C225-Y342 WeakPolarHBondContact CA-OH 3.43Å; C225-Y342 WeakPolarHBondContact CB-OH 3.35Å; C225-Y342 PolarHBondContact N-OH 3.33Å; L228-Y342 HydrophobicContact CD2-CD2 3.58Å; L228-Y342 HydrophobicContact CD2-CE2 3.81Å; A338-Y342 WeakPolarHBondContact O-CD2 3.32Å; A338-Y342 PolarHBondContact O-N 3.33Å; L339-Y342 CarbonylContact O-C 3.53Å; L339-Y342 PolarHBondContact O-N 3.31Å; S340-Y342 PolarHBondContact O-N 3.29Å; Y342-L344 PolarHBondContact O-N 2.78Å; Y342-V451 HydrophobicContact CD1-CB 4.49Å; Y342-V451 HydrophobicContact CD1-CG1 4.43Å; Y342-V451 HydrophobicContact CD1-CG2 4.27Å; Y342-V451 HydrophobicContact CD2-CG2 4.05Å; Y342-V451 HydrophobicContact CE1-CB 4.38Å; Y342-V451 HydrophobicContact CE1-CG1 3.85Å; Y342-V451 HydrophobicContact CE1-CG2 4.3Å; Y342-V451 HydrophobicContact CE2-CG2 4.11Å; Y342-V451 HydrophobicContact CG-CG2 4.14Å; Y342-N454 HydrophobicContact CD1-CB 3.95Å; Y342-N454 PolarHBondContact O-ND2 3.36Å; Y342-L455 HydrophobicContact CE1-CD1 4.41Å; Y342-L455 HydrophobicContact CE1-CD2 3.9Å; Y342-L455 HydrophobicContact CE1-CG 3.88Å
343	G	81.8	Confident	90	Very high	45 Å²	45	50.9 Å²	50.9	46%	0.464	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	12	171.7	0	0	0	0	0	115.1	S340 I341 K345	S340-G343 PolarHBondContact O-N 2.91Å; I341-G343 PolarHBondContact O-N 2.79Å; G343-K345 PolarHBondContact O-N 2.87Å
344	L	86.6	Confident	89.9	Confident	7 Å²	7	47.6 Å²	47.6	4%	0.037	25%	0.246	C	C	.	.			trans	-75	121.8	175	-72.8	164.7	0	0	0	108.9	L339 Y342 D348 M349 I352 W446 R450	L339-L344 HydrophobicContact CB-CB 4.43Å; L339-L344 HydrophobicContact CB-CD1 4.29Å; L339-L344 HydrophobicContact CD2-CD1 3.45Å; L339-L344 VanDerWaalsContact CD2-CD1 3.45Å; L339-L344 HydrophobicContact CG-CD1 4.47Å; L339-L344 WeakPolarHBondContact O-CB 3.41Å; L339-L344 PolarHBondContact O-N 2.8Å; Y342-L344 PolarHBondContact O-N 2.78Å; L344-D348 HydrophobicContact CB-CB 4.29Å; L344-D348 HydrophobicContact CD2-CB 3.58Å; L344-M349 HydrophobicContact CB-CE 4.38Å; L344-M349 HydrophobicContact CB-CG 4.4Å; L344-M349 WeakPolarHBondContact O-CE 3.39Å; L344-I352 HydrophobicContact CD1-CD1 4.13Å; L344-W446 HydrophobicContact CD2-CH2 3.62Å; L344-W446 HydrophobicContact CD2-CZ2 4.47Å; L344-W446 HydrophobicContact CD2-CZ3 4.24Å; L344-R450 HydrophobicContact CD1-CG 4.07Å; L344-R450 HydrophobicContact CD2-CG 3.86Å; L344-R450 HydrophobicContact CG-CG 3.92Å
345	K	87.9	Confident	89.8	Confident	153 Å²	153	42 Å²	42	67%	0.665	22%	0.22	S	C	*	.			trans	-78.9	164.6	178.3	-64.6	178.1	-177.6	176.2	0	109.9	G343 D347 D348 M349	G343-K345 PolarHBondContact O-N 2.87Å; K345-D347 PolarHBondContact O-N 3.13Å; K345-D347 VanDerWaalsContact O-N 3.1Å; K345-D348 PolarHBondContact N-OD2 3.15Å; K345-D348 WeakPolarHBondContact O-CA 3.34Å; K345-D348 WeakPolarHBondContact O-CB 3.2Å; K345-D348 PolarHBondContact O-N 2.77Å; K345-M349 WeakPolarHBondContact O-CG 3.19Å; K345-M349 PolarHBondContact O-N 2.96Å
346	E	88.5	Confident	89.9	Confident	90 Å²	90	41.9 Å²	41.9	42%	0.421	22%	0.22	S	C	.	.	H	α-helix	trans	-55.7	-30.7	178.7	-66.4	-71.5	-163.7	0	0	112.9	V300 K336 M349 R350	V300-E346 WeakPolarHBondContact CG2-OE2 3.5Å; K336-E346 WeakPolarHBondContact CE-OE1 3.36Å; K336-E346 WeakPolarHBondContact CE-OE2 3.49Å; K336-E346 IonicContact NZ-OE1 3.82Å; K336-E346 PolarHBondContact NZ-OE1 3.21Å; K336-E346 IonicContact NZ-OE2 3.25Å; K336-E346 PolarHBondContact NZ-OE2 3.27Å; E346-M349 PolarHBondContact O-N 3.32Å; E346-R350 VanDerWaalsContact O-CB 3.27Å; E346-R350 WeakPolarHBondContact O-CB 3.46Å; E346-R350 PolarHBondContact O-N 3.24Å
347	D	86.8	Confident	90	Very high	123 Å²	123	40.2 Å²	40.2	66%	0.658	21%	0.213	S	C	*	.	H	α-helix	trans	-68.4	-38.3	174.1	-68.4	-36	0	0	0	113.1	K345 S351	K345-D347 PolarHBondContact O-N 3.13Å; K345-D347 VanDerWaalsContact O-N 3.1Å; D347-S351 PolarHBondContact O-N 3.05Å; D347-S351 PolarHBondContact O-OG 3.03Å
348	D	86.7	Confident	90	Very high	56 Å²	56	35.4 Å²	35.4	30%	0.299	19%	0.187	S	C	.	.	H	α-helix	trans	-69.2	-44	175.3	-56.5	-50	0	0	0	109.8	L344 K345 R350 S351 I352	L344-D348 HydrophobicContact CB-CB 4.29Å; L344-D348 HydrophobicContact CD2-CB 3.58Å; K345-D348 PolarHBondContact N-OD2 3.15Å; K345-D348 WeakPolarHBondContact O-CA 3.34Å; K345-D348 WeakPolarHBondContact O-CB 3.2Å; K345-D348 PolarHBondContact O-N 2.77Å; D348-R350 VanDerWaalsContact C-N 3.34Å; D348-R350 PolarHBondContact O-N 3.11Å; D348-S351 WeakPolarHBondContact O-CB 3.38Å; D348-S351 PolarHBondContact O-N 3.07Å; D348-S351 VanDerWaalsContact O-N 3.08Å; D348-I352 WeakPolarHBondContact O-CG1 3.3Å; D348-I352 PolarHBondContact O-N 2.99Å
349	M	91.1	Very high	90.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-59.2	-45.2	174.7	-62.4	-172.3	-167.4	0	0	111.4	V300 K336 L339 S340 L344 K345 E346 S351 I352 F353	V300-M349 HydrophobicContact CG1-CB 4.42Å; K336-M349 HydrophobicContact CG-SD 3.79Å; L339-M349 HydrophobicContact CB-CE 3.55Å; L339-M349 HydrophobicContact CB-CG 4.24Å; L339-M349 HydrophobicContact CB-SD 4.11Å; L339-M349 HydrophobicContact CD1-CG 4.18Å; L339-M349 HydrophobicContact CD1-SD 4.37Å; S340-M349 VanDerWaalsContact N-CE 3.35Å; S340-M349 WeakPolarHBondContact OG-CE 3.36Å; L344-M349 HydrophobicContact CB-CE 4.38Å; L344-M349 HydrophobicContact CB-CG 4.4Å; L344-M349 WeakPolarHBondContact O-CE 3.39Å; K345-M349 WeakPolarHBondContact O-CG 3.19Å; K345-M349 PolarHBondContact O-N 2.96Å; E346-M349 PolarHBondContact O-N 3.32Å; M349-S351 PolarHBondContact O-N 3.21Å; M349-I352 PolarHBondContact O-N 2.91Å; M349-F353 HydrophobicContact CB-CD2 4.39Å; M349-F353 HydrophobicContact CB-CE2 3.95Å; M349-F353 HydrophobicContact CB-CZ 4.4Å; M349-F353 WeakPolarHBondContact O-CB 3.39Å; M349-F353 VanDerWaalsContact O-CD2 3.26Å; M349-F353 WeakPolarHBondContact O-CD2 3.38Å; M349-F353 WeakPolarHBondContact O-CG 3.47Å; M349-F353 PolarHBondContact O-N 2.85Å
350	R	90.4	Very high	90.3	Very high	82 Å²	82	35.3 Å²	35.3	31%	0.309	19%	0.186	S	C	.	.	H	α-helix	trans	-58.2	-38.9	174.8	-169.7	173.2	-178.8	82.8	-0.7	111.2	V300 A302 E346 D348 R354	V300-R350 HydrophobicContact CG1-CB 3.85Å; V300-R350 HydrophobicContact CG1-CG 4.4Å; V300-R350 PolarHBondContact O-NH1 3.32Å; A302-R350 PolarHBondContact O-NH1 2.97Å; A302-R350 PolarHBondContact O-NH2 3.05Å; E346-R350 VanDerWaalsContact O-CB 3.27Å; E346-R350 WeakPolarHBondContact O-CB 3.46Å; E346-R350 PolarHBondContact O-N 3.24Å; D348-R350 VanDerWaalsContact C-N 3.34Å; D348-R350 PolarHBondContact O-N 3.11Å; R350-R354 VanDerWaalsContact O-CB 3.28Å; R350-R354 WeakPolarHBondContact O-CB 3.38Å; R350-R354 WeakPolarHBondContact O-CG 3.49Å; R350-R354 PolarHBondContact O-N 3.37Å
351	S	89	Confident	90.5	Very high	35 Å²	35	33.4 Å²	33.4	25%	0.245	17%	0.17	C	C	.	.	H	α-helix	trans	-66.5	-43.7	177.5	-59.7	0	0	0	0	112.1	D347 D348 M349 R354 I355	D347-S351 PolarHBondContact O-N 3.05Å; D347-S351 PolarHBondContact O-OG 3.03Å; D348-S351 WeakPolarHBondContact O-CB 3.38Å; D348-S351 PolarHBondContact O-N 3.07Å; D348-S351 VanDerWaalsContact O-N 3.08Å; M349-S351 PolarHBondContact O-N 3.21Å; S351-R354 PolarHBondContact O-N 2.9Å; S351-I355 WeakPolarHBondContact O-CG1 3.41Å; S351-I355 PolarHBondContact O-N 2.93Å; S351-I355 VanDerWaalsContact O-N 3.15Å
352	I	92	Very high	90.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.1	-51	174	-63	165.2	0	0	0	110.3	F232 L339 L344 D348 M349 R354 I355 L356 L443 W446 I447	F232-I352 HydrophobicContact CE1-CG2 3.92Å; F232-I352 HydrophobicContact CZ-CG2 3.8Å; L339-I352 HydrophobicContact CD2-CD1 4.16Å; L344-I352 HydrophobicContact CD1-CD1 4.13Å; D348-I352 WeakPolarHBondContact O-CG1 3.3Å; D348-I352 PolarHBondContact O-N 2.99Å; M349-I352 PolarHBondContact O-N 2.91Å; I352-R354 VanDerWaalsContact C-N 3.34Å; I352-R354 PolarHBondContact O-N 3.24Å; I352-I355 PolarHBondContact O-N 3.34Å; I352-I355 VanDerWaalsContact O-N 3.17Å; I352-L356 HydrophobicContact CG2-CD1 4.24Å; I352-L356 WeakPolarHBondContact O-CG 3.35Å; I352-L356 PolarHBondContact O-N 3.13Å; I352-L356 VanDerWaalsContact O-N 3.09Å; I352-L443 HydrophobicContact CG1-CD1 4.35Å; I352-L443 HydrophobicContact CG2-CD1 4.21Å; I352-L443 HydrophobicContact CG2-CD2 4.32Å; I352-W446 HydrophobicContact CD1-CH2 4.39Å; I352-W446 HydrophobicContact CD1-CZ3 3.71Å; I352-W446 HydrophobicContact CG1-CH2 4.49Å; I352-W446 HydrophobicContact CG1-CZ3 3.78Å; I352-I447 HydrophobicContact CG2-CD1 4.33Å
353	F	94.3	Very high	91.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.9	-32	-176.9	-57.6	-27.5	0	0	0	112.5	I287 L291 V300 L301 L304 Y332 L339 M349 L356 A357	I287-F353 HydrophobicContact CD1-CE1 4.43Å; L291-F353 HydrophobicContact CD2-CB 4.17Å; L291-F353 HydrophobicContact CD2-CD1 3.71Å; L291-F353 HydrophobicContact CD2-CD2 4.39Å; L291-F353 HydrophobicContact CD2-CE1 4.17Å; L291-F353 HydrophobicContact CD2-CG 3.84Å; V300-F353 HydrophobicContact CG1-CD2 3.86Å; V300-F353 HydrophobicContact CG1-CE2 4.22Å; L301-F353 HydrophobicContact CD2-CB 3.73Å; L301-F353 HydrophobicContact CD2-CD2 3.49Å; L301-F353 VanDerWaalsContact CD2-CD2 3.49Å; L301-F353 HydrophobicContact CD2-CE2 4.3Å; L301-F353 HydrophobicContact CD2-CG 3.8Å; L304-F353 HydrophobicContact CD1-CB 3.94Å; Y332-F353 HydrophobicContact CE2-CE2 4.14Å; Y332-F353 AromaticContact CE2-CZ 3.99Å; Y332-F353 HydrophobicContact CE2-CZ 3.99Å; Y332-F353 WeakPolarHBondContact OH-CE2 3.43Å; L339-F353 HydrophobicContact CD1-CE1 4.03Å; L339-F353 HydrophobicContact CD1-CZ 3.73Å; M349-F353 HydrophobicContact CB-CD2 4.39Å; M349-F353 HydrophobicContact CB-CE2 3.95Å; M349-F353 HydrophobicContact CB-CZ 4.4Å; M349-F353 WeakPolarHBondContact O-CB 3.39Å; M349-F353 VanDerWaalsContact O-CD2 3.26Å; M349-F353 WeakPolarHBondContact O-CD2 3.38Å; M349-F353 WeakPolarHBondContact O-CG 3.47Å; M349-F353 PolarHBondContact O-N 2.85Å; F353-L356 HydrophobicContact CD1-CD1 4.28Å; F353-L356 PolarHBondContact O-N 2.92Å; F353-A357 WeakPolarHBondContact O-CB 3.38Å; F353-A357 PolarHBondContact O-N 3.47Å
354	R	92.4	Very high	91.7	Very high	55 Å²	55	31.6 Å²	31.6	21%	0.208	15%	0.15	C	C	.	.	H	α-helix	trans	-59.2	-44.9	169.2	-84.9	179.4	81	151.6	12	112	L304 R350 S351 I352 G358 D394 L395 V622	L304-R354 HydrophobicContact CD2-CB 4.41Å; L304-R354 HydrophobicContact CD2-CG 3.37Å; R350-R354 VanDerWaalsContact O-CB 3.28Å; R350-R354 WeakPolarHBondContact O-CB 3.38Å; R350-R354 WeakPolarHBondContact O-CG 3.49Å; R350-R354 PolarHBondContact O-N 3.37Å; S351-R354 PolarHBondContact O-N 2.9Å; I352-R354 VanDerWaalsContact C-N 3.34Å; I352-R354 PolarHBondContact O-N 3.24Å; R354-G358 PolarHBondContact O-N 2.84Å; R354-D394 PolarHBondContact NH2-O 2.81Å; R354-L395 HydrophobicContact CG-CD2 4.39Å; R354-L395 PolarHBondContact NE-O 3.3Å; R354-V622 HydrophobicContact CB-CG1 4.21Å
355	I	91.8	Very high	92	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.2	-45.1	178.4	-65.9	166.8	0	0	0	110.1	S351 I352 G358 L359 I439 L443 V622 M623	S351-I355 WeakPolarHBondContact O-CG1 3.41Å; S351-I355 PolarHBondContact O-N 2.93Å; S351-I355 VanDerWaalsContact O-N 3.15Å; I352-I355 PolarHBondContact O-N 3.34Å; I352-I355 VanDerWaalsContact O-N 3.17Å; I355-G358 PolarHBondContact O-N 3.25Å; I355-L359 WeakPolarHBondContact O-CG 3.45Å; I355-L359 PolarHBondContact O-N 2.85Å; I355-I439 HydrophobicContact CG2-CG2 3.58Å; I355-L443 HydrophobicContact CB-CD2 4.28Å; I355-L443 HydrophobicContact CD1-CD1 4.13Å; I355-L443 HydrophobicContact CG2-CD2 3.96Å; I355-V622 HydrophobicContact CD1-CG1 4.49Å; I355-V622 HydrophobicContact CG1-CG1 4.01Å; I355-M623 HydrophobicContact CD1-SD 4.32Å; I355-M623 HydrophobicContact CG1-CE 4.33Å; I355-M623 HydrophobicContact CG2-CE 4.15Å
356	L	95.3	Very high	92.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65	-45.1	179.1	-66.9	173	0	0	0	112.8	F232 I287 F288 L291 I352 F353 G358 L359 L360 Y440 L443	F232-L356 HydrophobicContact CE1-CD1 3.75Å; F232-L356 HydrophobicContact CE1-CD2 4.49Å; F232-L356 HydrophobicContact CZ-CD1 4.16Å; I287-L356 HydrophobicContact CD1-CD1 4.45Å; I287-L356 HydrophobicContact CG1-CD1 3.5Å; I287-L356 VanDerWaalsContact CG1-CD1 3.5Å; I287-L356 HydrophobicContact CG2-CD1 4.37Å; F288-L356 HydrophobicContact CE1-CB 4.17Å; F288-L356 HydrophobicContact CE1-CD2 3.75Å; F288-L356 HydrophobicContact CZ-CD2 4.03Å; L291-L356 HydrophobicContact CD1-CB 3.61Å; L291-L356 HydrophobicContact CD1-CD1 3.63Å; L291-L356 HydrophobicContact CD1-CG 4.3Å; I352-L356 HydrophobicContact CG2-CD1 4.24Å; I352-L356 WeakPolarHBondContact O-CG 3.35Å; I352-L356 PolarHBondContact O-N 3.13Å; I352-L356 VanDerWaalsContact O-N 3.09Å; F353-L356 HydrophobicContact CD1-CD1 4.28Å; F353-L356 PolarHBondContact O-N 2.92Å; L356-G358 VanDerWaalsContact C-N 3.3Å; L356-G358 PolarHBondContact O-N 3.09Å; L356-L359 WeakPolarHBondContact O-CB 3.24Å; L356-L359 PolarHBondContact O-N 3.27Å; L356-L360 PolarHBondContact O-N 3.3Å; L356-L360 VanDerWaalsContact O-N 3.08Å; L356-Y440 HydrophobicContact CD2-CD2 4.04Å; L356-Y440 HydrophobicContact CD2-CE2 3.72Å; L356-L443 HydrophobicContact CD2-CD2 3.63Å; L356-L443 HydrophobicContact CG-CD2 3.81Å
357	A	95.1	Very high	92.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.7	-41.3	174	0	0	0	0	0	110.9	L304 L306 F353 L359 L360 H361 L395	L304-A357 HydrophobicContact CB-CB 4Å; L306-A357 HydrophobicContact CD2-CB 3.83Å; L306-A357 HydrophobicContact CG-CB 4.13Å; F353-A357 WeakPolarHBondContact O-CB 3.38Å; F353-A357 PolarHBondContact O-N 3.47Å; A357-L359 VanDerWaalsContact C-N 3.31Å; A357-L359 PolarHBondContact O-N 3.05Å; A357-L360 WeakPolarHBondContact O-CB 3.48Å; A357-L360 PolarHBondContact O-N 2.95Å; A357-L360 VanDerWaalsContact O-N 3.15Å; A357-H361 PolarHBondContact O-CD2 2.94Å; A357-H361 VanDerWaalsContact O-CD2 3.26Å; A357-H361 PolarHBondContact O-N 3.32Å; A357-H361 VanDerWaalsContact O-N 3.09Å; A357-L395 HydrophobicContact CB-CD1 3.98Å
358	G	93.1	Very high	92.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.8	-41.8	173.5	0	0	0	0	0	112.3	R354 I355 L356 L360 H361 W362	R354-G358 PolarHBondContact O-N 2.84Å; I355-G358 PolarHBondContact O-N 3.25Å; L356-G358 VanDerWaalsContact C-N 3.3Å; L356-G358 PolarHBondContact O-N 3.09Å; G358-L360 PolarHBondContact O-N 3.17Å; G358-H361 PolarHBondContact O-N 2.93Å; G358-W362 VanDerWaalsContact O-CB 3.26Å; G358-W362 WeakPolarHBondContact O-CB 3.4Å; G358-W362 PolarHBondContact O-N 3Å
359	L	94.1	Very high	92.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.8	-36.3	175	-75.2	177.3	0	0	0	113.5	Y314 I355 L356 A357 W362 G363 A436 I439 Y440	Y314-L359 WeakPolarHBondContact CD2-O 3.32Å; Y314-L359 WeakPolarHBondContact CE2-O 3.47Å; I355-L359 WeakPolarHBondContact O-CG 3.45Å; I355-L359 PolarHBondContact O-N 2.85Å; L356-L359 WeakPolarHBondContact O-CB 3.24Å; L356-L359 PolarHBondContact O-N 3.27Å; A357-L359 VanDerWaalsContact C-N 3.31Å; A357-L359 PolarHBondContact O-N 3.05Å; L359-W362 WeakPolarHBondContact O-CB 3.48Å; L359-W362 PolarHBondContact O-N 3.27Å; L359-G363 PolarHBondContact O-N 2.83Å; L359-G363 VanDerWaalsContact O-N 3.15Å; L359-A436 HydrophobicContact CD2-CB 3.95Å; L359-I439 HydrophobicContact CD1-CG2 4.07Å; L359-I439 HydrophobicContact CD2-CB 3.97Å; L359-I439 HydrophobicContact CD2-CD1 4.17Å; L359-I439 HydrophobicContact CD2-CG2 3.9Å; L359-I439 HydrophobicContact CG-CG2 4.11Å; L359-Y440 HydrophobicContact CD1-CD2 3.88Å; L359-Y440 HydrophobicContact CD1-CG 4.49Å
360	L	95.8	Very high	91.1	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-64.9	-44.4	176.3	-69.8	-178.9	0	0	0	111.6	F288 L306 F312 L315 L356 A357 G358 G363	F288-L360 HydrophobicContact CB-CD2 4.29Å; F288-L360 HydrophobicContact CD1-CD1 4.06Å; F288-L360 HydrophobicContact CD1-CD2 3.53Å; F288-L360 HydrophobicContact CD1-CG 3.74Å; F288-L360 HydrophobicContact CE1-CD2 4Å; F288-L360 HydrophobicContact CE1-CG 4.13Å; F288-L360 HydrophobicContact CG-CD2 4.02Å; L306-L360 HydrophobicContact CD2-CD1 3.8Å; F312-L360 HydrophobicContact CB-CB 4.45Å; F312-L360 HydrophobicContact CB-CD2 4.3Å; F312-L360 HydrophobicContact CD1-CB 3.56Å; F312-L360 HydrophobicContact CD2-CB 4.37Å; F312-L360 HydrophobicContact CD2-CD1 4.05Å; F312-L360 HydrophobicContact CE1-CB 3.75Å; F312-L360 HydrophobicContact CE2-CD1 4.05Å; F312-L360 HydrophobicContact CG-CB 3.87Å; F312-L360 HydrophobicContact CG-CD1 4.35Å; F312-L360 HydrophobicContact CG-CD2 4.37Å; F312-L360 HydrophobicContact CG-CG 4.44Å; F312-L360 HydrophobicContact CZ-CB 4.25Å; F312-L360 HydrophobicContact CZ-CD1 4.35Å; L315-L360 HydrophobicContact CD1-CD1 4.21Å; L315-L360 HydrophobicContact CD1-CD2 3.65Å; L315-L360 HydrophobicContact CD2-CD2 3.91Å; L315-L360 HydrophobicContact CG-CD2 3.64Å; L356-L360 PolarHBondContact O-N 3.3Å; L356-L360 VanDerWaalsContact O-N 3.08Å; A357-L360 WeakPolarHBondContact O-CB 3.48Å; A357-L360 PolarHBondContact O-N 2.95Å; A357-L360 VanDerWaalsContact O-N 3.15Å; G358-L360 PolarHBondContact O-N 3.17Å; L360-G363 PolarHBondContact O-N 3.49Å
361	H	95	Very high	90	Very high	17 Å²	17	28.6 Å²	28.6	8%	0.079	15%	0.154	C	C	.	.	H	α-helix	trans	-67.2	-36.1	172.8	-74.2	-68.3	0	0	0	112.1	G305 F312 A357 G358 G363 N364 M391 C392	G305-H361 PolarHBondContact O-CE1 2.84Å; G305-H361 VanDerWaalsContact O-CE1 3.26Å; G305-H361 PolarHBondContact O-NE2 3.32Å; F312-H361 AromaticContact CE1-CE1 3.75Å; F312-H361 AromaticContact CE1-ND1 3.98Å; F312-H361 AromaticContact CE1-NE2 3.93Å; A357-H361 PolarHBondContact O-CD2 2.94Å; A357-H361 VanDerWaalsContact O-CD2 3.26Å; A357-H361 PolarHBondContact O-N 3.32Å; A357-H361 VanDerWaalsContact O-N 3.09Å; G358-H361 PolarHBondContact O-N 2.93Å; H361-G363 VanDerWaalsContact C-N 3.25Å; H361-G363 PolarHBondContact O-N 2.91Å; H361-N364 WeakPolarHBondContact O-CB 3.49Å; H361-N364 PolarHBondContact O-N 3.24Å; H361-M391 HydrophobicContact CB-CB 4.11Å; H361-C392 VanDerWaalsContact C-SG 3.51Å
362	W	93.1	Very high	88.5	Confident	3 Å²	3	35.6 Å²	35.6	1%	0.011	18%	0.183	C	C	.	.	H	α-helix	trans	-58.5	-39.5	178	-169.8	-92.4	0	0	0	111.9	G358 L359 N364 L365 C392 L396 L398 I403 L407 R432 M435	G358-W362 VanDerWaalsContact O-CB 3.26Å; G358-W362 WeakPolarHBondContact O-CB 3.4Å; G358-W362 PolarHBondContact O-N 3Å; L359-W362 WeakPolarHBondContact O-CB 3.48Å; L359-W362 PolarHBondContact O-N 3.27Å; W362-N364 PolarHBondContact O-N 3.11Å; W362-L365 HydrophobicContact CD2-CD1 4.01Å; W362-L365 HydrophobicContact CE3-CD1 3.96Å; W362-L365 HydrophobicContact CG-CD1 4.43Å; W362-L365 HydrophobicContact CZ3-CD1 4.34Å; W362-L365 WeakPolarHBondContact O-CB 3.33Å; W362-L365 WeakPolarHBondContact O-CG 3.49Å; W362-L365 PolarHBondContact O-N 2.79Å; W362-C392 WeakPolarHBondContact CA-SG 3.36Å; W362-C392 HydrophobicContact CE3-CB 4.01Å; W362-C392 HydrophobicContact CZ3-CB 4.44Å; W362-C392 PolarHBondContact N-SG 2.97Å; W362-L396 HydrophobicContact CE3-CD1 4.14Å; W362-L398 HydrophobicContact CZ3-CD1 4.19Å; W362-I403 HydrophobicContact CH2-CD1 4.34Å; W362-I403 HydrophobicContact CH2-CG2 4.02Å; W362-I403 HydrophobicContact CZ3-CD1 4.25Å; W362-I403 HydrophobicContact CZ3-CG2 4.23Å; W362-L407 HydrophobicContact CH2-CD1 4.23Å; W362-L407 HydrophobicContact CH2-CD2 4.15Å; W362-L407 HydrophobicContact CH2-CG 4.45Å; W362-L407 HydrophobicContact CZ2-CD2 3.76Å; W362-R432 HydrophobicContact CG-CG 4.43Å; W362-R432 PolarHBondContact NE1-O 3.42Å; W362-R432 WeakPolarHBondContact O-CD 3.34Å; W362-M435 HydrophobicContact CZ2-CB 4.08Å; W362-M435 HydrophobicContact CZ2-CG 4.49Å
363	G	92.5	Very high	86.6	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.01	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.8	175.2	0	0	0	0	0	114.6	Y313 L359 L360 H361 L365	Y313-G363 VanDerWaalsContact CB-O 3.3Å; Y313-G363 WeakPolarHBondContact CB-O 3.49Å; Y313-G363 VanDerWaalsContact CD1-O 3.29Å; Y313-G363 WeakPolarHBondContact CD1-O 3.38Å; L359-G363 PolarHBondContact O-N 2.83Å; L359-G363 VanDerWaalsContact O-N 3.15Å; L360-G363 PolarHBondContact O-N 3.49Å; H361-G363 VanDerWaalsContact C-N 3.25Å; H361-G363 PolarHBondContact O-N 2.91Å; G363-L365 VanDerWaalsContact C-N 3.29Å
364	N	94.8	Very high	84.5	Confident	39 Å²	39	45.4 Å²	45.4	21%	0.209	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-5.8	177.1	-75.5	-10.7	0	0	0	113.3	D311 Y313 H361 W362 T366 A388	D311-N364 PolarHBondContact O-ND2 3.21Å; D311-N364 PolarHBondContact O-OD1 3.44Å; Y313-N364 WeakPolarHBondContact CB-OD1 3.3Å; Y313-N364 PolarHBondContact N-OD1 3.16Å; H361-N364 WeakPolarHBondContact O-CB 3.49Å; H361-N364 PolarHBondContact O-N 3.24Å; W362-N364 PolarHBondContact O-N 3.11Å; N364-T366 PolarHBondContact O-N 3.19Å; N364-A388 HydrophobicContact CB-CB 3.77Å
365	L	93.1	Very high	82.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.27	C	S	.	.			trans	-65.8	121.9	173.2	-61.1	177.2	0	0	0	110.3	W362 G363 F367 A385 A388 F389 L407 R432	W362-L365 HydrophobicContact CD2-CD1 4.01Å; W362-L365 HydrophobicContact CE3-CD1 3.96Å; W362-L365 HydrophobicContact CG-CD1 4.43Å; W362-L365 HydrophobicContact CZ3-CD1 4.34Å; W362-L365 WeakPolarHBondContact O-CB 3.33Å; W362-L365 WeakPolarHBondContact O-CG 3.49Å; W362-L365 PolarHBondContact O-N 2.79Å; G363-L365 VanDerWaalsContact C-N 3.29Å; L365-F367 HydrophobicContact CB-CZ 4.43Å; L365-A385 HydrophobicContact CD2-CB 4.42Å; L365-A388 HydrophobicContact CD2-CB 4.21Å; L365-F389 HydrophobicContact CD2-CB 3.78Å; L365-F389 HydrophobicContact CD2-CD2 4.1Å; L365-F389 HydrophobicContact CD2-CG 4.45Å; L365-L407 HydrophobicContact CD1-CD1 3.94Å; L365-R432 PolarHBondContact O-NH1 3.41Å
366	T	91.9	Very high	80.8	Confident	58 Å²	58	53.6 Å²	53.6	36%	0.356	28%	0.283	S	S	.	.			trans	-113.4	153.5	174.3	59.2	0	0	0	0	110.3	N364 S382	N364-T366 PolarHBondContact O-N 3.19Å; T366-S382 VanDerWaalsContact C-OG 3.24Å; T366-S382 PolarHBondContact O-N 2.93Å; T366-S382 PolarHBondContact O-OG 3.32Å; T366-S382 WeakPolarHBondContact OG1-CB 3.42Å; T366-S382 PolarHBondContact OG1-OG 3.36Å; T366-S382 VanDerWaalsContact OG1-OG 3.05Å
367	F	90.4	Very high	79.1	Confident	23 Å²	23	57.1 Å²	57.1	10%	0.101	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.7	-177.7	-55	-81.7	0	0	0	109.7	L365 A380 I381 S382 L407 A425 A428 A429 R432	L365-F367 HydrophobicContact CB-CZ 4.43Å; F367-A380 WeakPolarHBondContact CA-O 3.35Å; F367-I381 HydrophobicContact CD1-CG1 4.21Å; F367-I381 HydrophobicContact CE1-CG1 3.91Å; F367-S382 PolarHBondContact N-OG 3.22Å; F367-L407 HydrophobicContact CE1-CB 3.95Å; F367-L407 HydrophobicContact CE1-CD1 4.34Å; F367-L407 HydrophobicContact CZ-CB 4.27Å; F367-L407 HydrophobicContact CZ-CD1 4.29Å; F367-L407 HydrophobicContact CZ-CD2 4.27Å; F367-A425 HydrophobicContact CB-CB 3.9Å; F367-A428 HydrophobicContact CB-CB 4.24Å; F367-A428 HydrophobicContact CD1-CB 3.77Å; F367-A428 HydrophobicContact CD2-CB 3.83Å; F367-A428 HydrophobicContact CE1-CB 4.04Å; F367-A428 HydrophobicContact CE2-CB 4.11Å; F367-A428 HydrophobicContact CG-CB 3.66Å; F367-A428 HydrophobicContact CZ-CB 4.21Å; F367-A429 HydrophobicContact CD2-CB 4.2Å; F367-R432 HydrophobicContact CE2-CB 3.99Å; F367-R432 HydrophobicContact CZ-CB 4.22Å
368	T	86.2	Confident	78.1	Confident	76 Å²	76	60.5 Å²	60.5	47%	0.466	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.5	176.9	37.4	0	0	0	0	109.2	C379 A380 S382	T368-C379 WeakPolarHBondContact O-CA 3.28Å; T368-A380 PolarHBondContact N-O 2.75Å; T368-A380 PolarHBondContact O-N 3.36Å; T368-S382 WeakPolarHBondContact CG2-OG 3.5Å
369	D	82.5	Confident	77.6	Confident	79 Å²	79	60.9 Å²	60.9	42%	0.422	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	135.9	172.8	-72.5	-47	0	0	0	110.3	L371 N424 A425	D369-L371 PolarHBondContact O-N 3.35Å; D369-L371 VanDerWaalsContact O-N 3.07Å; D369-N424 WeakPolarHBondContact OD1-CA 3.49Å; D369-A425 WeakPolarHBondContact OD1-CB 3.01Å; D369-A425 PolarHBondContact OD1-N 3.29Å
370	D	70.3	Confident	77	Confident	57 Å²	57	63.4 Å²	63.4	31%	0.305	35%	0.346	S	S	.	.			trans	-80.4	84.7	178.2	-162.8	0.1	0	0	0	109.3	E372 K373 H378	D370-E372 PolarHBondContact O-N 2.91Å; D370-K373 PolarHBondContact O-N 2.98Å; D370-K373 WeakPolarHBondContact OD2-CD 3.18Å; D370-K373 WeakPolarHBondContact OD2-CE 3.44Å; D370-K373 IonicContact OD2-NZ 2.85Å; D370-K373 PolarHBondContact OD2-NZ 3.18Å; D370-H378 HydrophobicContact CB-CB 4.28Å; D370-H378 VanDerWaalsContact CB-O 3.23Å; D370-H378 WeakPolarHBondContact CB-O 3.41Å; D370-H378 PolarHBondContact N-O 3.18Å
371	L	66.2	Low	76.4	Confident	157 Å²	157	64.6 Å²	64.6	82%	0.822	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-22.6	-175.6	-66.9	174.6	0	0	0	113.3	D369 K373	D369-L371 PolarHBondContact O-N 3.35Å; D369-L371 VanDerWaalsContact O-N 3.07Å; L371-K373 VanDerWaalsContact C-N 3.3Å; L371-K373 PolarHBondContact O-N 3.07Å
372	E	58	Low	75.9	Confident	181 Å²	181	64.2 Å²	64.2	85%	0.846	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-23.6	-179	-65.8	-170.4	167.3	0	0	112.6	D370 S374	D370-E372 PolarHBondContact O-N 2.91Å; E372-S374 PolarHBondContact O-N 3.06Å
373	K	53.2	Low	75.1	Confident	107 Å²	107	69.8 Å²	69.8	47%	0.465	39%	0.386	S	S	.	.			trans	-95.8	71.3	176.8	-62.4	-178.3	-173.5	130.6	0	110.6	D370 L371 H375 S376	D370-K373 PolarHBondContact O-N 2.98Å; D370-K373 WeakPolarHBondContact OD2-CD 3.18Å; D370-K373 WeakPolarHBondContact OD2-CE 3.44Å; D370-K373 IonicContact OD2-NZ 2.85Å; D370-K373 PolarHBondContact OD2-NZ 3.18Å; L371-K373 VanDerWaalsContact C-N 3.3Å; L371-K373 PolarHBondContact O-N 3.07Å; K373-H375 PolarHBondContact O-N 2.96Å; K373-S376 WeakPolarHBondContact CB-OG 3.48Å; K373-S376 PolarHBondContact O-N 3.44Å
374	S	50.6	Low	74.5	Confident	100 Å²	100	74.8 Å²	74.8	70%	0.699	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-7.6	-174.5	54.2	0	0	0	0	117.3	E372	E372-S374 PolarHBondContact O-N 3.06Å
375	H	50.9	Low	73.9	Confident	187 Å²	187	73.1 Å²	73.1	87%	0.866	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	-4.4	177.3	-66.8	-32.8	0	0	0	115.2	K373	K373-H375 PolarHBondContact O-N 2.96Å
376	S	54.4	Low	73.4	Confident	39 Å²	39	77.3 Å²	77.3	27%	0.273	44%	0.435	S	S	.	.	S	Bend	trans	-136	112.9	-176.1	52.5	0	0	0	0	109.4	K373 H378	K373-S376 WeakPolarHBondContact CB-OG 3.48Å; K373-S376 PolarHBondContact O-N 3.44Å; S376-H378 WeakPolarHBondContact CB-CD2 3.49Å; S376-H378 PolarHBondContact O-N 3.14Å; S376-H378 PolarHBondContact OG-CD2 3.14Å
377	S	59.9	Low	73.1	Confident	75 Å²	75	82.1 Å²	82.1	52%	0.524	45%	0.453	S	S	.	.			trans	-65.6	66.5	175.4	-41.8	0	0	0	0	111.1	P422 L423	S377-P422 CarbonylContact O-C 3.54Å; S377-L423 CarbonylContact O-C 3.19Å
378	H	74.9	Confident	72.9	Confident	70 Å²	70	81.4 Å²	81.4	32%	0.324	45%	0.452	S	S	.	.			trans	-89	126.1	172.9	-73.5	-75	0	0	0	109	D370 S376 P422	D370-H378 HydrophobicContact CB-CB 4.28Å; D370-H378 VanDerWaalsContact CB-O 3.23Å; D370-H378 WeakPolarHBondContact CB-O 3.41Å; D370-H378 PolarHBondContact N-O 3.18Å; S376-H378 WeakPolarHBondContact CB-CD2 3.49Å; S376-H378 PolarHBondContact O-N 3.14Å; S376-H378 PolarHBondContact OG-CD2 3.14Å; H378-P422 VanDerWaalsContact CE1-CB 3.41Å; H378-P422 WeakPolarHBondContact CE1-CB 3.45Å; H378-P422 WeakPolarHBondContact ND1-CB 3.45Å
379	C	81.5	Confident	73	Confident	9 Å²	9	79.3 Å²	79.3	6%	0.061	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	153.2	162.2	72.3	0	0	0	0	111	T368 T408 L423 A425	T368-C379 WeakPolarHBondContact O-CA 3.28Å; C379-T408 WeakPolarHBondContact O-CB 3.44Å; C379-T408 VanDerWaalsContact O-CG2 3.29Å; C379-T408 WeakPolarHBondContact O-CG2 3.4Å; C379-L423 WeakPolarHBondContact CB-O 3.31Å; C379-L423 PolarHBondContact N-O 3.48Å; C379-L423 PolarHBondContact SG-O 3.39Å; C379-A425 HydrophobicContact CB-CB 4.34Å
380	A	82.5	Confident	73.4	Confident	52 Å²	52	82 Å²	82	43%	0.43	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	158.9	165.3	0	0	0	0	0	110	F367 T368 S382	F367-A380 WeakPolarHBondContact CA-O 3.35Å; T368-A380 PolarHBondContact N-O 2.75Å; T368-A380 PolarHBondContact O-N 3.36Å; A380-S382 PolarHBondContact O-N 3.04Å
381	I	82.1	Confident	74.3	Confident	27 Å²	27	80.5 Å²	80.5	14%	0.138	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	130.3	168.2	-58.8	174.8	0	0	0	107.2	F367 A385 F389 A404 L407	F367-I381 HydrophobicContact CD1-CG1 4.21Å; F367-I381 HydrophobicContact CE1-CG1 3.91Å; I381-A385 HydrophobicContact CG2-CB 4.14Å; I381-F389 HydrophobicContact CD1-CD2 3.63Å; I381-F389 HydrophobicContact CD1-CE1 4.45Å; I381-F389 HydrophobicContact CD1-CE2 3.45Å; I381-F389 VanDerWaalsContact CD1-CE2 3.45Å; I381-F389 HydrophobicContact CD1-CG 4.22Å; I381-F389 HydrophobicContact CD1-CZ 3.91Å; I381-A404 HydrophobicContact CD1-CB 4.44Å; I381-L407 HydrophobicContact CD1-CD1 4.1Å
382	S	84	Confident	75.4	Confident	9 Å²	9	73.1 Å²	73.1	6%	0.063	39%	0.393	C	S	.	.			trans	-66.7	142.7	-178.6	-46.6	0	0	0	0	110.9	T366 F367 T368 A380 S384 A385	T366-S382 VanDerWaalsContact C-OG 3.24Å; T366-S382 PolarHBondContact O-N 2.93Å; T366-S382 PolarHBondContact O-OG 3.32Å; T366-S382 WeakPolarHBondContact OG1-CB 3.42Å; T366-S382 PolarHBondContact OG1-OG 3.36Å; T366-S382 VanDerWaalsContact OG1-OG 3.05Å; F367-S382 PolarHBondContact N-OG 3.22Å; T368-S382 WeakPolarHBondContact CG2-OG 3.5Å; A380-S382 PolarHBondContact O-N 3.04Å; S382-S384 PolarHBondContact O-N 2.79Å; S382-S384 VanDerWaalsContact O-N 3.15Å; S382-A385 WeakPolarHBondContact O-CA 3.47Å; S382-A385 WeakPolarHBondContact O-CB 3.38Å; S382-A385 PolarHBondContact O-N 2.94Å
383	V	77.5	Confident	76.8	Confident	120 Å²	120	66 Å²	66	73%	0.727	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-55.6	-33.9	176.5	-176.6	0	0	0	0	112.3	A385 D386	V383-A385 PolarHBondContact O-N 3.47Å; V383-A385 VanDerWaalsContact O-N 3.11Å; V383-D386 WeakPolarHBondContact O-CB 3.17Å; V383-D386 VanDerWaalsContact O-CG 3.31Å; V383-D386 PolarHBondContact O-N 3.16Å
384	S	80.5	Confident	78.4	Confident	106 Å²	106	64.6 Å²	64.6	74%	0.741	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-61.9	-17.9	175.4	54.9	0	0	0	0	114.2	S382	S382-S384 PolarHBondContact O-N 2.79Å; S382-S384 VanDerWaalsContact O-N 3.15Å
385	A	80.5	Confident	80.3	Confident	3 Å²	3	60.1 Å²	60.1	3%	0.025	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-100.4	5.2	-179.3	0	0	0	0	0	113.4	L365 I381 S382 V383 E387 A388 F389	L365-A385 HydrophobicContact CD2-CB 4.42Å; I381-A385 HydrophobicContact CG2-CB 4.14Å; S382-A385 WeakPolarHBondContact O-CA 3.47Å; S382-A385 WeakPolarHBondContact O-CB 3.38Å; S382-A385 PolarHBondContact O-N 2.94Å; V383-A385 PolarHBondContact O-N 3.47Å; V383-A385 VanDerWaalsContact O-N 3.11Å; A385-E387 VanDerWaalsContact C-N 3.29Å; A385-E387 PolarHBondContact O-N 3.03Å; A385-A388 PolarHBondContact O-N 3.27Å; A385-A388 VanDerWaalsContact O-N 3.11Å; A385-F389 WeakPolarHBondContact O-CB 3.44Å; A385-F389 PolarHBondContact O-N 3.29Å
386	D	82.7	Confident	82	Confident	88 Å²	88	51.2 Å²	51.2	47%	0.471	29%	0.285	S	S	.	.	H	α-helix	trans	-58.2	-39	-176.9	-78.4	-8	0	0	0	112.8	V383 F389 R390	V383-D386 WeakPolarHBondContact O-CB 3.17Å; V383-D386 VanDerWaalsContact O-CG 3.31Å; V383-D386 PolarHBondContact O-N 3.16Å; D386-F389 PolarHBondContact O-N 2.88Å; D386-R390 WeakPolarHBondContact O-CB 3.17Å; D386-R390 PolarHBondContact O-N 2.86Å
387	E	86.3	Confident	83.3	Confident	159 Å²	159	53.4 Å²	53.4	74%	0.743	29%	0.292	S	S	*	.	H	α-helix	trans	-64.4	-47.5	175.4	-68.3	-168.4	165.2	0	0	111.7	A385 F389 R390 M391	A385-E387 VanDerWaalsContact C-N 3.29Å; A385-E387 PolarHBondContact O-N 3.03Å; E387-F389 VanDerWaalsContact C-N 3.27Å; E387-F389 PolarHBondContact O-N 2.73Å; E387-R390 PolarHBondContact O-N 3.49Å; E387-M391 WeakPolarHBondContact O-CB 3.49Å; E387-M391 VanDerWaalsContact O-CG 3.25Å; E387-M391 WeakPolarHBondContact O-CG 3.03Å; E387-M391 PolarHBondContact O-N 2.96Å
388	A	86.4	Confident	84.4	Confident	9 Å²	9	50.6 Å²	50.6	7%	0.074	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-39.2	177.7	0	0	0	0	0	111.1	N364 L365 A385 M391 C392	N364-A388 HydrophobicContact CB-CB 3.77Å; L365-A388 HydrophobicContact CD2-CB 4.21Å; A385-A388 PolarHBondContact O-N 3.27Å; A385-A388 VanDerWaalsContact O-N 3.11Å; A388-M391 PolarHBondContact O-N 3.3Å; A388-C392 WeakPolarHBondContact O-CB 3.41Å; A388-C392 PolarHBondContact O-N 3.19Å; A388-C392 PolarHBondContact O-SG 3.14Å
389	F	89.1	Confident	84.9	Confident	31 Å²	31	51.1 Å²	51.1	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-48.3	176.7	-173.5	-118.1	0	0	0	112.1	L365 I381 A385 D386 E387 M391 C392 I393 A400 I403 A404	L365-F389 HydrophobicContact CD2-CB 3.78Å; L365-F389 HydrophobicContact CD2-CD2 4.1Å; L365-F389 HydrophobicContact CD2-CG 4.45Å; I381-F389 HydrophobicContact CD1-CD2 3.63Å; I381-F389 HydrophobicContact CD1-CE1 4.45Å; I381-F389 HydrophobicContact CD1-CE2 3.45Å; I381-F389 VanDerWaalsContact CD1-CE2 3.45Å; I381-F389 HydrophobicContact CD1-CG 4.22Å; I381-F389 HydrophobicContact CD1-CZ 3.91Å; A385-F389 WeakPolarHBondContact O-CB 3.44Å; A385-F389 PolarHBondContact O-N 3.29Å; D386-F389 PolarHBondContact O-N 2.88Å; E387-F389 VanDerWaalsContact C-N 3.27Å; E387-F389 PolarHBondContact O-N 2.73Å; F389-M391 VanDerWaalsContact C-N 3.33Å; F389-M391 PolarHBondContact O-N 2.9Å; F389-C392 WeakPolarHBondContact O-CB 3.47Å; F389-C392 PolarHBondContact O-N 2.88Å; F389-I393 HydrophobicContact CD1-CD1 3.67Å; F389-I393 HydrophobicContact CD2-CD1 4.42Å; F389-I393 HydrophobicContact CE1-CD1 3.42Å; F389-I393 VanDerWaalsContact CE1-CD1 3.42Å; F389-I393 HydrophobicContact CE2-CD1 4.2Å; F389-I393 HydrophobicContact CG-CD1 4.18Å; F389-I393 HydrophobicContact CZ-CD1 3.7Å; F389-I393 HydrophobicContact CZ-CG1 4.41Å; F389-I393 WeakPolarHBondContact O-CG1 3.05Å; F389-I393 PolarHBondContact O-N 3.2Å; F389-A400 HydrophobicContact CE1-CB 4.49Å; F389-I403 HydrophobicContact CE2-CG2 3.85Å; F389-A404 HydrophobicContact CZ-CB 4.07Å
390	R	89.6	Confident	84.9	Confident	136 Å²	136	52.5 Å²	52.5	51%	0.513	29%	0.289	S	S	.	.	H	α-helix	trans	-58.1	-45.5	174.1	-170.5	-173.9	63.8	72.3	-1.9	111.4	D386 E387 C392 I393 D394	D386-R390 WeakPolarHBondContact O-CB 3.17Å; D386-R390 PolarHBondContact O-N 2.86Å; E387-R390 PolarHBondContact O-N 3.49Å; R390-C392 VanDerWaalsContact C-N 3.35Å; R390-C392 PolarHBondContact O-N 2.87Å; R390-I393 WeakPolarHBondContact O-CB 3.47Å; R390-I393 PolarHBondContact O-N 3.49Å; R390-D394 IonicContact NH1-OD2 2.74Å; R390-D394 PolarHBondContact NH1-OD2 3.34Å; R390-D394 VanDerWaalsContact O-CG 3.3Å; R390-D394 PolarHBondContact O-N 2.76Å
391	M	90.6	Very high	84.9	Confident	25 Å²	25	55.4 Å²	55.4	12%	0.123	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-41.1	176.8	-70.4	-60.7	-56.7	0	0	112.3	H361 E387 A388 F389 D394 L395	H361-M391 HydrophobicContact CB-CB 4.11Å; E387-M391 WeakPolarHBondContact O-CB 3.49Å; E387-M391 VanDerWaalsContact O-CG 3.25Å; E387-M391 WeakPolarHBondContact O-CG 3.03Å; E387-M391 PolarHBondContact O-N 2.96Å; A388-M391 PolarHBondContact O-N 3.3Å; F389-M391 VanDerWaalsContact C-N 3.33Å; F389-M391 PolarHBondContact O-N 2.9Å; M391-D394 PolarHBondContact O-N 2.93Å; M391-L395 HydrophobicContact CE-CD1 3.88Å; M391-L395 HydrophobicContact CE-CG 4.19Å; M391-L395 VanDerWaalsContact O-CB 3.24Å; M391-L395 WeakPolarHBondContact O-CB 3.36Å; M391-L395 WeakPolarHBondContact O-CG 3.37Å; M391-L395 PolarHBondContact O-N 3.02Å
392	C	87.7	Confident	84.9	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.014	31%	0.305	C	S	.	.	H	α-helix	trans	-61.6	-45.4	175.9	-70.6	0	0	0	0	111.9	H361 W362 A388 F389 R390 L396	H361-C392 VanDerWaalsContact C-SG 3.51Å; W362-C392 WeakPolarHBondContact CA-SG 3.36Å; W362-C392 HydrophobicContact CE3-CB 4.01Å; W362-C392 HydrophobicContact CZ3-CB 4.44Å; W362-C392 PolarHBondContact N-SG 2.97Å; A388-C392 WeakPolarHBondContact O-CB 3.41Å; A388-C392 PolarHBondContact O-N 3.19Å; A388-C392 PolarHBondContact O-SG 3.14Å; F389-C392 WeakPolarHBondContact O-CB 3.47Å; F389-C392 PolarHBondContact O-N 2.88Å; R390-C392 VanDerWaalsContact C-N 3.35Å; R390-C392 PolarHBondContact O-N 2.87Å; C392-L396 VanDerWaalsContact O-CB 3.27Å; C392-L396 WeakPolarHBondContact O-CB 3.46Å; C392-L396 PolarHBondContact O-N 3.35Å
393	I	87.1	Confident	84.9	Confident	31 Å²	31	56.6 Å²	56.6	16%	0.159	30%	0.303	C	S	.	.	H	α-helix	trans	-57.3	-49.6	176.7	-73.4	160.8	0	0	0	110.4	F389 R390 M397 L398 A400	F389-I393 HydrophobicContact CD1-CD1 3.67Å; F389-I393 HydrophobicContact CD2-CD1 4.42Å; F389-I393 HydrophobicContact CE1-CD1 3.42Å; F389-I393 VanDerWaalsContact CE1-CD1 3.42Å; F389-I393 HydrophobicContact CE2-CD1 4.2Å; F389-I393 HydrophobicContact CG-CD1 4.18Å; F389-I393 HydrophobicContact CZ-CD1 3.7Å; F389-I393 HydrophobicContact CZ-CG1 4.41Å; F389-I393 WeakPolarHBondContact O-CG1 3.05Å; F389-I393 PolarHBondContact O-N 3.2Å; R390-I393 WeakPolarHBondContact O-CB 3.47Å; R390-I393 PolarHBondContact O-N 3.49Å; I393-M397 WeakPolarHBondContact O-CA 3.29Å; I393-M397 PolarHBondContact O-N 3.37Å; I393-L398 WeakPolarHBondContact CG2-O 3.29Å; I393-L398 PolarHBondContact O-N 2.88Å; I393-L398 VanDerWaalsContact O-N 3.08Å; I393-A400 HydrophobicContact CD1-CB 3.55Å; I393-A400 HydrophobicContact CG1-CB 4.32Å
394	D	88.7	Confident	85.2	Confident	78 Å²	78	52.4 Å²	52.4	42%	0.417	28%	0.281	S	S	.	.	H	α-helix	trans	-69.2	-45.7	-176.3	-68.6	-21.8	0	0	0	112.2	R354 R390 M391	R354-D394 PolarHBondContact NH2-O 2.81Å; R390-D394 IonicContact NH1-OD2 2.74Å; R390-D394 PolarHBondContact NH1-OD2 3.34Å; R390-D394 VanDerWaalsContact O-CG 3.3Å; R390-D394 PolarHBondContact O-N 2.76Å; M391-D394 PolarHBondContact O-N 2.93Å
395	L	89.9	Confident	85.3	Confident	7 Å²	7	53.4 Å²	53.4	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-72.8	-43.4	-174.6	-69.4	174.1	0	0	0	112.4	L304 R354 A357 M391	L304-L395 HydrophobicContact CB-CD2 4.43Å; L304-L395 HydrophobicContact CD2-CD2 3.77Å; R354-L395 HydrophobicContact CG-CD2 4.39Å; R354-L395 PolarHBondContact NE-O 3.3Å; A357-L395 HydrophobicContact CB-CD1 3.98Å; M391-L395 HydrophobicContact CE-CD1 3.88Å; M391-L395 HydrophobicContact CE-CG 4.19Å; M391-L395 VanDerWaalsContact O-CB 3.24Å; M391-L395 WeakPolarHBondContact O-CB 3.36Å; M391-L395 WeakPolarHBondContact O-CG 3.37Å; M391-L395 PolarHBondContact O-N 3.02Å
396	L	85.9	Confident	85.3	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-92.5	-0.8	-177.7	-56.5	176.7	0	0	0	112.5	W362 C392 L398 S620 M623	W362-L396 HydrophobicContact CE3-CD1 4.14Å; C392-L396 VanDerWaalsContact O-CB 3.27Å; C392-L396 WeakPolarHBondContact O-CB 3.46Å; C392-L396 PolarHBondContact O-N 3.35Å; L396-L398 HydrophobicContact CB-CD1 3.42Å; L396-L398 VanDerWaalsContact CB-CD1 3.42Å; L396-L398 HydrophobicContact CB-CD2 4.4Å; L396-L398 HydrophobicContact CB-CG 3.68Å; L396-L398 HydrophobicContact CD1-CD1 3.76Å; L396-L398 HydrophobicContact CG-CD1 4.22Å; L396-S620 WeakPolarHBondContact O-CB 3.34Å; L396-S620 PolarHBondContact O-OG 3.2Å; L396-M623 HydrophobicContact CD2-CE 3.94Å
397	M	82.4	Confident	85.3	Confident	84 Å²	84	49.7 Å²	49.7	41%	0.414	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	61.4	-178.4	-70.1	-171.2	179.2	0	0	112.8	I393 K621 V622	I393-M397 WeakPolarHBondContact O-CA 3.29Å; I393-M397 PolarHBondContact O-N 3.37Å; M397-K621 HydrophobicContact SD-CB 3.96Å; M397-V622 HydrophobicContact CB-CG2 3.99Å; M397-V622 HydrophobicContact CE-CG2 3.96Å; M397-V622 HydrophobicContact CG-CG2 3.49Å; M397-V622 VanDerWaalsContact CG-CG2 3.49Å; M397-V622 HydrophobicContact SD-CG2 3.49Å; M397-V622 WeakPolarHBondContact SD-CG2 3.5Å
398	L	83.5	Confident	85.3	Confident	16 Å²	16	43.3 Å²	43.3	8%	0.084	22%	0.221	C	C	.	.			trans	-112	155.4	-175.4	-56.9	168.1	0	0	0	111.5	W362 I393 L396 I403 V616 L617	W362-L398 HydrophobicContact CZ3-CD1 4.19Å; I393-L398 WeakPolarHBondContact CG2-O 3.29Å; I393-L398 PolarHBondContact O-N 2.88Å; I393-L398 VanDerWaalsContact O-N 3.08Å; L396-L398 HydrophobicContact CB-CD1 3.42Å; L396-L398 VanDerWaalsContact CB-CD1 3.42Å; L396-L398 HydrophobicContact CB-CD2 4.4Å; L396-L398 HydrophobicContact CB-CG 3.68Å; L396-L398 HydrophobicContact CD1-CD1 3.76Å; L396-L398 HydrophobicContact CG-CD1 4.22Å; L398-I403 HydrophobicContact CB-CD1 3.14Å; L398-I403 HydrophobicContact CB-CG1 4.1Å; L398-I403 HydrophobicContact CD1-CD1 3.04Å; L398-I403 HydrophobicContact CD1-CG1 4.5Å; L398-I403 HydrophobicContact CD2-CD1 3.98Å; L398-I403 HydrophobicContact CG-CD1 3.46Å; L398-I403 VanDerWaalsContact CG-CD1 3.46Å; L398-V616 HydrophobicContact CD2-CG1 4.23Å; L398-L617 HydrophobicContact CD2-CD2 4.36Å
399	N	84	Confident	85	Confident	82 Å²	82	43.9 Å²	43.9	44%	0.439	22%	0.223	S	C	.	.			trans	-80.1	126.9	172.4	-178.7	-58.7	0	0	0	109.6	D401 D402 I403	N399-D401 PolarHBondContact OD1-N 3.46Å; N399-D402 HydrophobicContact CB-CB 4.13Å; N399-D402 PolarHBondContact OD1-N 3.41Å; N399-I403 PolarHBondContact O-N 2.86Å; N399-I403 VanDerWaalsContact O-N 3.11Å
400	A	82.9	Confident	84.4	Confident	38 Å²	38	48.2 Å²	48.2	31%	0.314	24%	0.239	S	C	.	.	H	α-helix	trans	-60	-47.9	-176.1	0	0	0	0	0	112.6	F389 I393 I403 A404	F389-A400 HydrophobicContact CE1-CB 4.49Å; I393-A400 HydrophobicContact CD1-CB 3.55Å; I393-A400 HydrophobicContact CG1-CB 4.32Å; A400-I403 PolarHBondContact O-N 2.89Å; A400-A404 VanDerWaalsContact O-CB 3.32Å; A400-A404 WeakPolarHBondContact O-CB 3.21Å; A400-A404 PolarHBondContact O-N 3.26Å
401	D	82.4	Confident	83.6	Confident	113 Å²	113	43.5 Å²	43.5	60%	0.604	22%	0.223	S	C	*	.	H	α-helix	trans	-66.8	-42.3	-177	-64.1	-36.3	0	0	0	111.5	N399 I403 R405	N399-D401 PolarHBondContact OD1-N 3.46Å; D401-I403 VanDerWaalsContact C-N 3.34Å; D401-I403 PolarHBondContact O-N 3.23Å; D401-R405 VanDerWaalsContact O-CB 3.24Å; D401-R405 WeakPolarHBondContact O-CB 3.19Å; D401-R405 PolarHBondContact O-N 2.95Å
402	D	81.5	Confident	82.5	Confident	58 Å²	58	45.6 Å²	45.6	31%	0.31	24%	0.235	S	C	.	.	H	α-helix	trans	-67	-37.9	-179.3	-70	-29.3	0	0	0	111.6	N399 R405 C406 V616	N399-D402 HydrophobicContact CB-CB 4.13Å; N399-D402 PolarHBondContact OD1-N 3.41Å; D402-R405 IonicContact OD1-CZ 3.85Å; D402-R405 IonicContact OD1-NH1 2.9Å; D402-R405 PolarHBondContact OD1-NH1 2.67Å; D402-R405 IonicContact OD1-NH2 2.97Å; D402-C406 VanDerWaalsContact O-CB 3.28Å; D402-C406 WeakPolarHBondContact O-CB 3.3Å; D402-C406 PolarHBondContact O-N 3.27Å; D402-C406 PolarHBondContact O-SG 3.4Å; D402-V616 HydrophobicContact CB-CG2 4.23Å
403	I	83.5	Confident	81.4	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-75	-43.6	177.5	-72	-165.8	0	0	0	112.5	W362 F389 L398 N399 A400 D401 R405 C406 L407 V616	W362-I403 HydrophobicContact CH2-CD1 4.34Å; W362-I403 HydrophobicContact CH2-CG2 4.02Å; W362-I403 HydrophobicContact CZ3-CD1 4.25Å; W362-I403 HydrophobicContact CZ3-CG2 4.23Å; F389-I403 HydrophobicContact CE2-CG2 3.85Å; L398-I403 HydrophobicContact CB-CD1 3.14Å; L398-I403 HydrophobicContact CB-CG1 4.1Å; L398-I403 HydrophobicContact CD1-CD1 3.04Å; L398-I403 HydrophobicContact CD1-CG1 4.5Å; L398-I403 HydrophobicContact CD2-CD1 3.98Å; L398-I403 HydrophobicContact CG-CD1 3.46Å; L398-I403 VanDerWaalsContact CG-CD1 3.46Å; N399-I403 PolarHBondContact O-N 2.86Å; N399-I403 VanDerWaalsContact O-N 3.11Å; A400-I403 PolarHBondContact O-N 2.89Å; D401-I403 VanDerWaalsContact C-N 3.34Å; D401-I403 PolarHBondContact O-N 3.23Å; I403-R405 PolarHBondContact O-N 2.64Å; I403-C406 PolarHBondContact O-N 3.5Å; I403-C406 VanDerWaalsContact O-N 3.14Å; I403-L407 HydrophobicContact CG2-CD1 3.58Å; I403-L407 HydrophobicContact CG2-CG 3.95Å; I403-L407 WeakPolarHBondContact O-CB 3.38Å; I403-L407 WeakPolarHBondContact O-CG 3.36Å; I403-L407 PolarHBondContact O-N 3.1Å; I403-V616 HydrophobicContact CD1-CG1 4.18Å; I403-V616 HydrophobicContact CG1-CG1 3.81Å
404	A	83.5	Confident	80.2	Confident	32 Å²	32	54.3 Å²	54.3	26%	0.264	28%	0.281	S	S	.	.	H	α-helix	trans	-55.5	-44.9	175.4	0	0	0	0	0	110	I381 F389 A400 T408	I381-A404 HydrophobicContact CD1-CB 4.44Å; F389-A404 HydrophobicContact CZ-CB 4.07Å; A400-A404 VanDerWaalsContact O-CB 3.32Å; A400-A404 WeakPolarHBondContact O-CB 3.21Å; A400-A404 PolarHBondContact O-N 3.26Å; A404-T408 WeakPolarHBondContact O-CB 2.88Å; A404-T408 WeakPolarHBondContact O-CG2 3.48Å; A404-T408 PolarHBondContact O-N 2.89Å; A404-T408 PolarHBondContact O-OG1 2.87Å
405	R	82.6	Confident	79.2	Confident	127 Å²	127	54.3 Å²	54.3	48%	0.479	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-45.1	175.2	-161.5	-172.8	-52.7	121.9	6.6	112.2	D401 D402 I403 T408 T409	D401-R405 VanDerWaalsContact O-CB 3.24Å; D401-R405 WeakPolarHBondContact O-CB 3.19Å; D401-R405 PolarHBondContact O-N 2.95Å; D402-R405 IonicContact OD1-CZ 3.85Å; D402-R405 IonicContact OD1-NH1 2.9Å; D402-R405 PolarHBondContact OD1-NH1 2.67Å; D402-R405 IonicContact OD1-NH2 2.97Å; I403-R405 PolarHBondContact O-N 2.64Å; R405-T408 PolarHBondContact O-N 3.45Å; R405-T408 PolarHBondContact O-OG1 3.12Å; R405-T409 WeakPolarHBondContact O-CB 3.17Å; R405-T409 PolarHBondContact O-N 2.83Å; R405-T409 PolarHBondContact O-OG1 2.78Å
406	C	80.7	Confident	78.4	Confident	13 Å²	13	66.1 Å²	66.1	9%	0.088	34%	0.344	C	S	.	.	H	α-helix	trans	-65.4	-39.4	-179.9	-75.5	0	0	0	0	113	D402 I403 T408 T409 F431 L613	D402-C406 VanDerWaalsContact O-CB 3.28Å; D402-C406 WeakPolarHBondContact O-CB 3.3Å; D402-C406 PolarHBondContact O-N 3.27Å; D402-C406 PolarHBondContact O-SG 3.4Å; I403-C406 PolarHBondContact O-N 3.5Å; I403-C406 VanDerWaalsContact O-N 3.14Å; C406-T408 VanDerWaalsContact C-N 3.29Å; C406-T408 PolarHBondContact O-N 3.46Å; C406-T409 VanDerWaalsContact O-O 3.11Å; C406-F431 WeakPolarHBondContact O-CE1 3.34Å; C406-L613 HydrophobicContact CB-CD1 4.3Å; C406-L613 HydrophobicContact CB-CD2 3.49Å; C406-L613 VanDerWaalsContact CB-CD2 3.49Å; C406-L613 HydrophobicContact CB-CG 3.78Å
407	L	83.9	Confident	77.9	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-71.2	-25	-179.6	-73.9	176.5	0	0	0	112.8	W362 L365 F367 I381 I403 A428 F431	W362-L407 HydrophobicContact CH2-CD1 4.23Å; W362-L407 HydrophobicContact CH2-CD2 4.15Å; W362-L407 HydrophobicContact CH2-CG 4.45Å; W362-L407 HydrophobicContact CZ2-CD2 3.76Å; L365-L407 HydrophobicContact CD1-CD1 3.94Å; F367-L407 HydrophobicContact CE1-CB 3.95Å; F367-L407 HydrophobicContact CE1-CD1 4.34Å; F367-L407 HydrophobicContact CZ-CB 4.27Å; F367-L407 HydrophobicContact CZ-CD1 4.29Å; F367-L407 HydrophobicContact CZ-CD2 4.27Å; I381-L407 HydrophobicContact CD1-CD1 4.1Å; I403-L407 HydrophobicContact CG2-CD1 3.58Å; I403-L407 HydrophobicContact CG2-CG 3.95Å; I403-L407 WeakPolarHBondContact O-CB 3.38Å; I403-L407 WeakPolarHBondContact O-CG 3.36Å; I403-L407 PolarHBondContact O-N 3.1Å; L407-A428 VanDerWaalsContact O-CB 3.28Å; L407-A428 WeakPolarHBondContact O-CB 3.38Å; L407-F431 HydrophobicContact CD2-CD1 4.02Å; L407-F431 HydrophobicContact CD2-CE1 4.33Å
408	T	84.5	Confident	77.4	Confident	24 Å²	24	74.9 Å²	74.9	15%	0.147	38%	0.381	C	S	.	.	H	α-helix	trans	-109.1	-9.9	-174.2	58.6	0	0	0	0	113.9	C379 A404 R405 C406 L423	C379-T408 WeakPolarHBondContact O-CB 3.44Å; C379-T408 VanDerWaalsContact O-CG2 3.29Å; C379-T408 WeakPolarHBondContact O-CG2 3.4Å; A404-T408 WeakPolarHBondContact O-CB 2.88Å; A404-T408 WeakPolarHBondContact O-CG2 3.48Å; A404-T408 PolarHBondContact O-N 2.89Å; A404-T408 PolarHBondContact O-OG1 2.87Å; R405-T408 PolarHBondContact O-N 3.45Å; R405-T408 PolarHBondContact O-OG1 3.12Å; C406-T408 VanDerWaalsContact C-N 3.29Å; C406-T408 PolarHBondContact O-N 3.46Å; T408-L423 WeakPolarHBondContact O-CB 3.36Å; T408-L423 PolarHBondContact O-N 2.86Å
409	T	81	Confident	77	Confident	21 Å²	21	78.6 Å²	78.6	13%	0.129	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.3	-178.8	72	0	0	0	0	112.4	R405 C406 V420 K421	R405-T409 WeakPolarHBondContact O-CB 3.17Å; R405-T409 PolarHBondContact O-N 2.83Å; R405-T409 PolarHBondContact O-OG1 2.78Å; C406-T409 VanDerWaalsContact O-O 3.11Å; T409-V420 HydrophobicContact CG2-CG1 4Å; T409-K421 CarbonylContact C-O 3.57Å; T409-K421 WeakPolarHBondContact CA-O 3.46Å
410	R	77	Confident	76.7	Confident	123 Å²	123	78.9 Å²	78.9	46%	0.464	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.2	175.5	177.1	174.3	-178.1	175.1	-0.9	110.1	L412 K421 L423	R410-L412 HydrophobicContact CG-CD2 4.04Å; R410-K421 PolarHBondContact N-O 3.22Å; R410-K421 PolarHBondContact O-N 3.03Å; R410-L423 HydrophobicContact CB-CD2 3.64Å; R410-L423 HydrophobicContact CB-CG 4.2Å
411	I	71.6	Confident	76.6	Confident	36 Å²	36	81.3 Å²	81.3	19%	0.185	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	116.7	177.6	-59.4	-178	0	0	0	109.5	K418 L419 V420 E612	I411-K418 HydrophobicContact CG2-CB 3.88Å; I411-K418 HydrophobicContact CG2-CD 4.32Å; I411-K418 HydrophobicContact CG2-CG 4.25Å; I411-L419 CarbonylContact C-O 3.52Å; I411-L419 WeakPolarHBondContact CA-O 3.48Å; I411-V420 HydrophobicContact CD1-CG2 4.29Å; I411-V420 HydrophobicContact CG1-CG1 4.35Å; I411-V420 HydrophobicContact CG1-CG2 4.09Å; I411-E612 WeakPolarHBondContact CD1-OE2 3.21Å
412	L	69.3	Low	76.6	Confident	70 Å²	70	77.3 Å²	77.3	37%	0.366	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125.6	175.8	-58.5	176.4	0	0	0	108.5	R410 L419 K421	R410-L412 HydrophobicContact CG-CD2 4.04Å; L412-L419 HydrophobicContact CB-CB 4.42Å; L412-L419 PolarHBondContact N-O 3.12Å; L412-L419 PolarHBondContact O-N 2.76Å; L412-K421 HydrophobicContact CD1-CB 4.24Å
413	K	63.4	Low	76.6	Confident	162 Å²	162	75 Å²	75	70%	0.704	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	110.7	171.9	-69.1	-178.1	179.6	179.2	0	108.8	E417	K413-E417 WeakPolarHBondContact CA-O 3.31Å
414	A	62.8	Low	76.6	Confident	53 Å²	53	77.1 Å²	77.1	44%	0.438	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	89.6	172	0	0	0	0	0	108.2	R416 E417 L419	A414-R416 PolarHBondContact O-N 3.21Å; A414-R416 VanDerWaalsContact O-N 3.16Å; A414-E417 PolarHBondContact N-O 3.44Å; A414-E417 PolarHBondContact O-N 3.36Å; A414-E417 VanDerWaalsContact O-N 3.11Å; A414-L419 HydrophobicContact CB-CD1 4.07Å
415	G	67.1	Low	76.8	Confident	78 Å²	78	76.3 Å²	76.3	80%	0.804	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	-113.3	-174.5	0	0	0	0	0	112.2
416	R	72.7	Confident	76.8	Confident	256 Å²	256	74.6 Å²	74.6	97%	0.966	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-14.6	176.9	-66.2	-176.7	-177.7	179.6	1.1	113.2	A414	A414-R416 PolarHBondContact O-N 3.21Å; A414-R416 VanDerWaalsContact O-N 3.16Å
417	E	76	Confident	76.9	Confident	135 Å²	135	77 Å²	77	63%	0.631	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	146.8	-177.2	-65.7	-178.6	179.1	0	0	111.5	K413 A414	K413-E417 WeakPolarHBondContact CA-O 3.31Å; A414-E417 PolarHBondContact N-O 3.44Å; A414-E417 PolarHBondContact O-N 3.36Å; A414-E417 VanDerWaalsContact O-N 3.11Å
418	K	71.9	Confident	77	Confident	133 Å²	133	77 Å²	77	58%	0.578	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	111.8	172.5	-68	-176.7	-179.4	-174.5	0	108	I411	I411-K418 HydrophobicContact CG2-CB 3.88Å; I411-K418 HydrophobicContact CG2-CD 4.32Å; I411-K418 HydrophobicContact CG2-CG 4.25Å
419	L	74.9	Confident	77.1	Confident	94 Å²	94	77 Å²	77	49%	0.492	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.6	173.7	-65.7	172.7	0	0	0	109.3	I411 L412 A414	I411-L419 CarbonylContact C-O 3.52Å; I411-L419 WeakPolarHBondContact CA-O 3.48Å; L412-L419 HydrophobicContact CB-CB 4.42Å; L412-L419 PolarHBondContact N-O 3.12Å; L412-L419 PolarHBondContact O-N 2.76Å; A414-L419 HydrophobicContact CB-CD1 4.07Å
420	V	76.8	Confident	77	Confident	87 Å²	87	78.5 Å²	78.5	53%	0.527	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	107.7	176.3	-171.9	0	0	0	0	108.6	T409 I411	T409-V420 HydrophobicContact CG2-CG1 4Å; I411-V420 HydrophobicContact CD1-CG2 4.29Å; I411-V420 HydrophobicContact CG1-CG1 4.35Å; I411-V420 HydrophobicContact CG1-CG2 4.09Å
421	K	80.9	Confident	77.2	Confident	89 Å²	89	74.3 Å²	74.3	39%	0.387	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.2	174.1	-173	-159.5	170.7	-160.6	0	108.8	T409 R410 L412 E427	T409-K421 CarbonylContact C-O 3.57Å; T409-K421 WeakPolarHBondContact CA-O 3.46Å; R410-K421 PolarHBondContact N-O 3.22Å; R410-K421 PolarHBondContact O-N 3.03Å; L412-K421 HydrophobicContact CD1-CB 4.24Å; K421-E427 IonicContact NZ-OE1 2.72Å; K421-E427 PolarHBondContact NZ-OE1 3.37Å; K421-E427 IonicContact NZ-OE2 3.07Å
422	P	82.7	Confident	77.9	Confident	30 Å²	30	73.3 Å²	73.3	20%	0.195	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	147.3	170.7	30.9	-35.3	0	0	0	111.6	S377 H378	S377-P422 CarbonylContact O-C 3.54Å; H378-P422 VanDerWaalsContact CE1-CB 3.41Å; H378-P422 WeakPolarHBondContact CE1-CB 3.45Å; H378-P422 WeakPolarHBondContact ND1-CB 3.45Å
423	L	82.3	Confident	78.7	Confident	8 Å²	8	71.3 Å²	71.3	4%	0.042	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-96	146.8	177.7	-63.8	179.5	0	0	0	110.2	S377 C379 T408 R410 E427 A428	S377-L423 CarbonylContact O-C 3.19Å; C379-L423 WeakPolarHBondContact CB-O 3.31Å; C379-L423 PolarHBondContact N-O 3.48Å; C379-L423 PolarHBondContact SG-O 3.39Å; T408-L423 WeakPolarHBondContact O-CB 3.36Å; T408-L423 PolarHBondContact O-N 2.86Å; R410-L423 HydrophobicContact CB-CD2 3.64Å; R410-L423 HydrophobicContact CB-CG 4.2Å; L423-E427 WeakPolarHBondContact CA-OE2 3.4Å; L423-E427 HydrophobicContact CB-CB 4.15Å; L423-E427 HydrophobicContact CD2-CB 3.98Å; L423-E427 WeakPolarHBondContact CD2-OE2 3.3Å; L423-A428 HydrophobicContact CB-CB 4.49Å
424	N	83.9	Confident	79.5	Confident	48 Å²	48	65.3 Å²	65.3	26%	0.257	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-79.4	168	163	68.6	35.9	0	0	0	111	D369 S426 E427 A428	D369-N424 WeakPolarHBondContact OD1-CA 3.49Å; N424-S426 VanDerWaalsContact C-N 3.26Å; N424-S426 PolarHBondContact O-N 3.33Å; N424-S426 PolarHBondContact OD1-N 2.88Å; N424-E427 PolarHBondContact N-OE2 2.8Å; N424-E427 PolarHBondContact O-N 2.68Å; N424-E427 WeakPolarHBondContact OD1-CB 3.34Å; N424-E427 VanDerWaalsContact OD1-CG 3.29Å; N424-E427 WeakPolarHBondContact OD1-CG 3.06Å; N424-E427 PolarHBondContact OD1-N 2.83Å; N424-A428 WeakPolarHBondContact O-CB 3.43Å; N424-A428 PolarHBondContact O-N 3.14Å
425	A	86.9	Confident	80.4	Confident	15 Å²	15	63 Å²	63	12%	0.124	34%	0.342	C	S	.	.	H	α-helix	trans	-60.2	-34.6	-175.5	0	0	0	0	0	112.8	F367 D369 C379 A429	F367-A425 HydrophobicContact CB-CB 3.9Å; D369-A425 WeakPolarHBondContact OD1-CB 3.01Å; D369-A425 PolarHBondContact OD1-N 3.29Å; C379-A425 HydrophobicContact CB-CB 4.34Å; A425-A429 WeakPolarHBondContact O-CB 3.49Å; A425-A429 PolarHBondContact O-N 3.22Å
426	S	83.4	Confident	81.4	Confident	92 Å²	92	59.2 Å²	59.2	64%	0.643	30%	0.304	S	S	*	.	H	α-helix	trans	-72.3	-41.9	177.8	-171.6	0	0	0	0	112.6	N424 A428 A429 S430	N424-S426 VanDerWaalsContact C-N 3.26Å; N424-S426 PolarHBondContact O-N 3.33Å; N424-S426 PolarHBondContact OD1-N 2.88Å; S426-A428 VanDerWaalsContact C-N 3.32Å; S426-A429 PolarHBondContact O-N 3.23Å; S426-S430 PolarHBondContact O-N 3.28Å
427	E	82.9	Confident	82.1	Confident	64 Å²	64	49.4 Å²	49.4	30%	0.299	27%	0.268	S	S	.	.	H	α-helix	trans	-63	-42.4	174.7	-73.5	177.2	150.6	0	0	109.7	K421 L423 N424 S430 F431	K421-E427 IonicContact NZ-OE1 2.72Å; K421-E427 PolarHBondContact NZ-OE1 3.37Å; K421-E427 IonicContact NZ-OE2 3.07Å; L423-E427 WeakPolarHBondContact CA-OE2 3.4Å; L423-E427 HydrophobicContact CB-CB 4.15Å; L423-E427 HydrophobicContact CD2-CB 3.98Å; L423-E427 WeakPolarHBondContact CD2-OE2 3.3Å; N424-E427 PolarHBondContact N-OE2 2.8Å; N424-E427 PolarHBondContact O-N 2.68Å; N424-E427 WeakPolarHBondContact OD1-CB 3.34Å; N424-E427 VanDerWaalsContact OD1-CG 3.29Å; N424-E427 WeakPolarHBondContact OD1-CG 3.06Å; N424-E427 PolarHBondContact OD1-N 2.83Å; E427-S430 PolarHBondContact O-N 3.31Å; E427-F431 WeakPolarHBondContact O-CB 3.35Å; E427-F431 PolarHBondContact O-N 3.36Å
428	A	84.6	Confident	82.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-40.4	175.5	0	0	0	0	0	112.7	F367 L407 L423 N424 S426 F431 R432	F367-A428 HydrophobicContact CB-CB 4.24Å; F367-A428 HydrophobicContact CD1-CB 3.77Å; F367-A428 HydrophobicContact CD2-CB 3.83Å; F367-A428 HydrophobicContact CE1-CB 4.04Å; F367-A428 HydrophobicContact CE2-CB 4.11Å; F367-A428 HydrophobicContact CG-CB 3.66Å; F367-A428 HydrophobicContact CZ-CB 4.21Å; L407-A428 VanDerWaalsContact O-CB 3.28Å; L407-A428 WeakPolarHBondContact O-CB 3.38Å; L423-A428 HydrophobicContact CB-CB 4.49Å; N424-A428 WeakPolarHBondContact O-CB 3.43Å; N424-A428 PolarHBondContact O-N 3.14Å; S426-A428 VanDerWaalsContact C-N 3.32Å; A428-F431 WeakPolarHBondContact O-CB 3.38Å; A428-F431 PolarHBondContact O-N 3.34Å; A428-R432 WeakPolarHBondContact O-CB 3.24Å; A428-R432 PolarHBondContact O-N 3.19Å
429	A	86.2	Confident	83	Confident	24 Å²	24	37.2 Å²	37.2	20%	0.198	21%	0.214	C	C	.	.	H	α-helix	trans	-66.3	-45.6	175.5	0	0	0	0	0	112.7	F367 A425 S426 F431 R432 D433	F367-A429 HydrophobicContact CD2-CB 4.2Å; A425-A429 WeakPolarHBondContact O-CB 3.49Å; A425-A429 PolarHBondContact O-N 3.22Å; S426-A429 PolarHBondContact O-N 3.23Å; A429-F431 PolarHBondContact O-N 3.38Å; A429-R432 WeakPolarHBondContact O-CB 3.27Å; A429-R432 PolarHBondContact O-N 2.89Å; A429-D433 PolarHBondContact O-N 3.14Å
430	S	80.2	Confident	83.8	Confident	51 Å²	51	32.8 Å²	32.8	36%	0.357	19%	0.191	S	C	.	.	H	α-helix	trans	-59	-39.1	174.1	174.7	0	0	0	0	110.8	S426 E427 D433 A434 E603	S426-S430 PolarHBondContact O-N 3.28Å; E427-S430 PolarHBondContact O-N 3.31Å; S430-D433 PolarHBondContact O-N 3.48Å; S430-A434 WeakPolarHBondContact O-CB 3.36Å; S430-A434 PolarHBondContact O-N 3.15Å; S430-E603 PolarHBondContact OG-OE1 3.41Å
431	F	79.8	Confident	84.3	Confident	35 Å²	35	31 Å²	31	15%	0.154	18%	0.177	C	C	.	.	H	α-helix	trans	-68.3	-43.1	177.7	-175	-109.5	0	0	0	113.9	C406 L407 E427 A428 A429 D433 A434 M435 N610 L613	C406-F431 WeakPolarHBondContact O-CE1 3.34Å; L407-F431 HydrophobicContact CD2-CD1 4.02Å; L407-F431 HydrophobicContact CD2-CE1 4.33Å; E427-F431 WeakPolarHBondContact O-CB 3.35Å; E427-F431 PolarHBondContact O-N 3.36Å; A428-F431 WeakPolarHBondContact O-CB 3.38Å; A428-F431 PolarHBondContact O-N 3.34Å; A429-F431 PolarHBondContact O-N 3.38Å; F431-D433 PolarHBondContact O-N 2.75Å; F431-A434 PolarHBondContact O-N 3.46Å; F431-M435 WeakPolarHBondContact O-CG 3.27Å; F431-M435 PolarHBondContact O-N 3.33Å; F431-N610 HydrophobicContact CE2-CB 3.84Å; F431-N610 HydrophobicContact CZ-CB 4.05Å; F431-L613 HydrophobicContact CD1-CD1 4.3Å; F431-L613 HydrophobicContact CE1-CD1 3.21Å; F431-L613 HydrophobicContact CE1-CG 4.33Å; F431-L613 HydrophobicContact CE2-CD1 3.91Å; F431-L613 HydrophobicContact CZ-CD1 2.98Å; F431-L613 HydrophobicContact CZ-CG 3.99Å
432	R	87.3	Confident	84.5	Confident	15 Å²	15	29.9 Å²	29.9	6%	0.057	17%	0.17	C	C	.	.	H	α-helix	trans	-52.3	-46.5	169.1	171.7	-153	67	-163.4	-2.3	110.4	W362 L365 F367 A428 A429 M435 A436	W362-R432 HydrophobicContact CG-CG 4.43Å; W362-R432 PolarHBondContact NE1-O 3.42Å; W362-R432 WeakPolarHBondContact O-CD 3.34Å; L365-R432 PolarHBondContact O-NH1 3.41Å; F367-R432 HydrophobicContact CE2-CB 3.99Å; F367-R432 HydrophobicContact CZ-CB 4.22Å; A428-R432 WeakPolarHBondContact O-CB 3.24Å; A428-R432 PolarHBondContact O-N 3.19Å; A429-R432 WeakPolarHBondContact O-CB 3.27Å; A429-R432 PolarHBondContact O-N 2.89Å; R432-M435 WeakPolarHBondContact O-CB 3.29Å; R432-M435 PolarHBondContact O-N 3.43Å; R432-A436 PolarHBondContact O-N 2.89Å; R432-A436 VanDerWaalsContact O-N 3.09Å
433	D	86.8	Confident	85	Confident	28 Å²	28	28.5 Å²	28.5	15%	0.15	16%	0.161	C	C	.	.	H	α-helix	trans	-70.5	-41	-177.7	-69.9	-14.7	0	0	0	112.6	V276 Y314 A429 S430 F431 M435 A436 K437	V276-D433 HydrophobicContact CB-CB 4.01Å; V276-D433 HydrophobicContact CG1-CB 3.85Å; V276-D433 WeakPolarHBondContact CG1-O 3.36Å; V276-D433 HydrophobicContact CG2-CB 4.13Å; Y314-D433 WeakPolarHBondContact CE1-OD1 3.48Å; Y314-D433 PolarHBondContact OH-OD1 3.22Å; A429-D433 PolarHBondContact O-N 3.14Å; S430-D433 PolarHBondContact O-N 3.48Å; F431-D433 PolarHBondContact O-N 2.75Å; D433-M435 PolarHBondContact O-N 2.95Å; D433-A436 PolarHBondContact O-N 2.9Å; D433-K437 VanDerWaalsContact O-CG 3.28Å; D433-K437 WeakPolarHBondContact O-CG 3.24Å; D433-K437 PolarHBondContact O-N 3.23Å
434	A	79.7	Confident	85.5	Confident	37 Å²	37	28.3 Å²	28.3	31%	0.306	16%	0.16	S	C	.	.	H	α-helix	trans	-57.3	-38.4	173	0	0	0	0	0	111.7	S430 F431 C438	S430-A434 WeakPolarHBondContact O-CB 3.36Å; S430-A434 PolarHBondContact O-N 3.15Å; F431-A434 PolarHBondContact O-N 3.46Å; A434-C438 PolarHBondContact O-N 3.39Å; A434-C438 VanDerWaalsContact O-N 3.16Å
435	M	81.6	Confident	85.7	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.015	16%	0.16	C	C	.	.	H	α-helix	trans	-67	-46	176.2	-77	-67.7	-70.6	0	0	112.9	W362 F431 R432 D433 K437 C438 I439 V609 L613 L617	W362-M435 HydrophobicContact CZ2-CB 4.08Å; W362-M435 HydrophobicContact CZ2-CG 4.49Å; F431-M435 WeakPolarHBondContact O-CG 3.27Å; F431-M435 PolarHBondContact O-N 3.33Å; R432-M435 WeakPolarHBondContact O-CB 3.29Å; R432-M435 PolarHBondContact O-N 3.43Å; D433-M435 PolarHBondContact O-N 2.95Å; M435-K437 VanDerWaalsContact C-N 3.29Å; M435-K437 PolarHBondContact O-N 3.47Å; M435-C438 PolarHBondContact O-N 3.25Å; M435-I439 WeakPolarHBondContact O-CG1 3.34Å; M435-I439 PolarHBondContact O-N 3.25Å; M435-V609 HydrophobicContact SD-CG1 3.5Å; M435-V609 WeakPolarHBondContact SD-CG1 3.34Å; M435-L613 HydrophobicContact CE-CB 4.03Å; M435-L613 HydrophobicContact CE-CD1 3.71Å; M435-L613 HydrophobicContact CE-CD2 4.05Å; M435-L613 HydrophobicContact CE-CG 4.2Å; M435-L613 HydrophobicContact CG-CD1 3.73Å; M435-L613 HydrophobicContact SD-CB 4.03Å; M435-L613 HydrophobicContact SD-CD1 3.47Å; M435-L613 WeakPolarHBondContact SD-CD1 3.17Å; M435-L613 HydrophobicContact SD-CG 4.35Å; M435-L617 HydrophobicContact CE-CD1 3.44Å; M435-L617 VanDerWaalsContact CE-CD1 3.44Å; M435-L617 HydrophobicContact CE-CD2 4.17Å; M435-L617 HydrophobicContact CE-CG 3.82Å; M435-L617 HydrophobicContact SD-CD1 4.4Å
436	A	88.4	Confident	85.9	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.7	-42.4	177.5	0	0	0	0	0	111.8	V275 V276 Y314 L359 R432 D433 C438 I439 Y440	V275-A436 HydrophobicContact CG1-CB 4.38Å; V276-A436 HydrophobicContact CG1-CB 3.77Å; Y314-A436 HydrophobicContact CE2-CB 3.77Å; L359-A436 HydrophobicContact CD2-CB 3.95Å; R432-A436 PolarHBondContact O-N 2.89Å; R432-A436 VanDerWaalsContact O-N 3.09Å; D433-A436 PolarHBondContact O-N 2.9Å; A436-C438 PolarHBondContact O-N 3.06Å; A436-I439 PolarHBondContact O-N 3.05Å; A436-Y440 WeakPolarHBondContact O-CB 3.5Å; A436-Y440 PolarHBondContact O-N 3.29Å; A436-Y440 VanDerWaalsContact O-N 3.08Å
437	K	86.4	Confident	86.3	Confident	50 Å²	50	23 Å²	23	22%	0.217	13%	0.126	C	C	.	.	H	α-helix	trans	-57.5	-48	174.3	-67.2	173.1	-162.4	178.4	0	111.9	K272 V276 D433 M435 E441	K272-K437 HydrophobicContact CB-CB 3.89Å; K272-K437 HydrophobicContact CB-CG 4.15Å; V276-K437 HydrophobicContact CG1-CG 4.09Å; V276-K437 HydrophobicContact CG2-CD 4.47Å; V276-K437 HydrophobicContact CG2-CG 4.39Å; D433-K437 VanDerWaalsContact O-CG 3.28Å; D433-K437 WeakPolarHBondContact O-CG 3.24Å; D433-K437 PolarHBondContact O-N 3.23Å; M435-K437 VanDerWaalsContact C-N 3.29Å; M435-K437 PolarHBondContact O-N 3.47Å; K437-E441 WeakPolarHBondContact O-CB 3.45Å; K437-E441 PolarHBondContact O-N 3.02Å
438	C	80.5	Confident	86.7	Confident	9 Å²	9	20.2 Å²	20.2	6%	0.061	11%	0.113	C	C	.	.	H	α-helix	trans	-66.7	-43.1	-178.4	179.5	0	0	0	0	112.8	A434 M435 A436 Y440 R442 V609	A434-C438 PolarHBondContact O-N 3.39Å; A434-C438 VanDerWaalsContact O-N 3.16Å; M435-C438 PolarHBondContact O-N 3.25Å; A436-C438 PolarHBondContact O-N 3.06Å; C438-Y440 VanDerWaalsContact C-N 3.34Å; C438-R442 WeakPolarHBondContact O-CG 3.37Å; C438-R442 PolarHBondContact O-N 3.2Å; C438-R442 VanDerWaalsContact O-N 3.15Å; C438-R442 PolarHBondContact SG-NE 2.8Å; C438-V609 HydrophobicContact CB-CG2 3.6Å
439	I	86.5	Confident	86.9	Confident	2 Å²	2	22.8 Å²	22.8	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-63.5	-45.3	179.8	-69	167.3	0	0	0	109.8	I355 L359 M435 A436 R442 L443 L617 M623	I355-I439 HydrophobicContact CG2-CG2 3.58Å; L359-I439 HydrophobicContact CD1-CG2 4.07Å; L359-I439 HydrophobicContact CD2-CB 3.97Å; L359-I439 HydrophobicContact CD2-CD1 4.17Å; L359-I439 HydrophobicContact CD2-CG2 3.9Å; L359-I439 HydrophobicContact CG-CG2 4.11Å; M435-I439 WeakPolarHBondContact O-CG1 3.34Å; M435-I439 PolarHBondContact O-N 3.25Å; A436-I439 PolarHBondContact O-N 3.05Å; I439-R442 PolarHBondContact O-N 3.31Å; I439-L443 WeakPolarHBondContact O-CB 3.44Å; I439-L443 PolarHBondContact O-N 3.12Å; I439-L617 HydrophobicContact CD1-CD1 4.45Å; I439-L617 HydrophobicContact CD1-CD2 4.02Å; I439-L617 HydrophobicContact CG1-CD1 4.05Å; I439-L617 HydrophobicContact CG1-CD2 4.3Å; I439-M623 HydrophobicContact CB-CE 4.46Å; I439-M623 HydrophobicContact CD1-CE 4.12Å; I439-M623 HydrophobicContact CG1-CE 4.09Å; I439-M623 HydrophobicContact CG2-CE 3.57Å; I439-M623 HydrophobicContact CG2-SD 4.36Å
440	Y	92	Very high	87	Confident	2 Å²	2	24.8 Å²	24.8	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-63.7	-44.1	-179.9	-167.6	-94.8	0	0	0	112.5	F232 L270 V275 Y285 F288 L356 L359 A436 C438 R442 L443 F444	F232-Y440 PolarHBondContact O-OH 2.91Å; L270-Y440 HydrophobicContact CD2-CD1 4.16Å; L270-Y440 HydrophobicContact CD2-CE1 4.37Å; V275-Y440 HydrophobicContact CG2-CD1 3.51Å; V275-Y440 HydrophobicContact CG2-CD2 4.05Å; V275-Y440 HydrophobicContact CG2-CE1 4.11Å; V275-Y440 HydrophobicContact CG2-CG 3.47Å; V275-Y440 VanDerWaalsContact CG2-CG 3.47Å; Y285-Y440 WeakPolarHBondContact CB-OH 3.46Å; Y285-Y440 HydrophobicContact CD2-CD1 4.47Å; Y285-Y440 AromaticContact CD2-CE1 3.6Å; Y285-Y440 HydrophobicContact CD2-CE1 3.6Å; Y285-Y440 HydrophobicContact CD2-CE2 4.38Å; Y285-Y440 AromaticContact CD2-CZ 3.55Å; Y285-Y440 WeakPolarHBondContact CD2-OH 3.48Å; Y285-Y440 HydrophobicContact CE2-CD1 4.21Å; Y285-Y440 AromaticContact CE2-CE1 3.56Å; Y285-Y440 HydrophobicContact CE2-CE1 3.56Å; Y285-Y440 HydrophobicContact CG-CE1 4.21Å; Y285-Y440 AromaticContact CG-CZ 3.92Å; Y285-Y440 VanDerWaalsContact CG-OH 3.25Å; F288-Y440 HydrophobicContact CE2-CD2 4.28Å; F288-Y440 AromaticContact CE2-CE2 3.73Å; F288-Y440 HydrophobicContact CE2-CE2 3.73Å; F288-Y440 AromaticContact CZ-CD2 3.79Å; F288-Y440 HydrophobicContact CZ-CD2 3.79Å; F288-Y440 AromaticContact CZ-CE2 3.54Å; F288-Y440 HydrophobicContact CZ-CE2 3.54Å; L356-Y440 HydrophobicContact CD2-CD2 4.04Å; L356-Y440 HydrophobicContact CD2-CE2 3.72Å; L359-Y440 HydrophobicContact CD1-CD2 3.88Å; L359-Y440 HydrophobicContact CD1-CG 4.49Å; A436-Y440 WeakPolarHBondContact O-CB 3.5Å; A436-Y440 PolarHBondContact O-N 3.29Å; A436-Y440 VanDerWaalsContact O-N 3.08Å; C438-Y440 VanDerWaalsContact C-N 3.34Å; Y440-R442 VanDerWaalsContact C-N 3.32Å; Y440-R442 PolarHBondContact O-N 2.9Å; Y440-L443 PolarHBondContact O-N 2.98Å; Y440-F444 WeakPolarHBondContact O-CB 3.38Å; Y440-F444 PolarHBondContact O-N 2.86Å
441	E	86.9	Confident	87.4	Confident	49 Å²	49	22.4 Å²	22.4	23%	0.229	11%	0.113	C	C	.	.	H	α-helix	trans	-56.7	-45.7	175.6	176	-173.3	-152.6	0	0	111.9	K272 K437 F444 A445	K272-E441 HydrophobicContact CD-CB 4.14Å; K272-E441 HydrophobicContact CD-CG 4.36Å; K272-E441 WeakPolarHBondContact CE-OE1 3.16Å; K272-E441 VanDerWaalsContact CE-OE2 3.25Å; K272-E441 WeakPolarHBondContact CE-OE2 3.45Å; K272-E441 HydrophobicContact CG-CB 4.48Å; K272-E441 IonicContact NZ-OE1 2.82Å; K272-E441 PolarHBondContact NZ-OE1 3.44Å; K272-E441 IonicContact NZ-OE2 3.6Å; K272-E441 PolarHBondContact NZ-OE2 2.89Å; K437-E441 WeakPolarHBondContact O-CB 3.45Å; K437-E441 PolarHBondContact O-N 3.02Å; E441-F444 PolarHBondContact O-N 3.13Å; E441-A445 WeakPolarHBondContact O-CB 3.35Å; E441-A445 PolarHBondContact O-N 2.86Å
442	R	86.6	Confident	87.9	Confident	65 Å²	65	22 Å²	22	25%	0.245	11%	0.112	C	C	.	.	H	α-helix	trans	-67.4	-38.9	179.6	-71.3	178.3	-176.1	-161.9	-1.6	112.7	C438 I439 Y440 F444 A445 W446 Y614 A626	C438-R442 WeakPolarHBondContact O-CG 3.37Å; C438-R442 PolarHBondContact O-N 3.2Å; C438-R442 VanDerWaalsContact O-N 3.15Å; C438-R442 PolarHBondContact SG-NE 2.8Å; I439-R442 PolarHBondContact O-N 3.31Å; Y440-R442 VanDerWaalsContact C-N 3.32Å; Y440-R442 PolarHBondContact O-N 2.9Å; R442-F444 VanDerWaalsContact C-N 3.32Å; R442-A445 PolarHBondContact O-N 2.95Å; R442-W446 WeakPolarHBondContact O-CB 3.34Å; R442-W446 PolarHBondContact O-N 3.06Å; R442-Y614 VanDerWaalsContact CZ-CE2 3.44Å; R442-Y614 VanDerWaalsContact NH1-CD2 3.26Å; R442-A626 HydrophobicContact CB-CB 3.92Å
443	L	91.5	Very high	87.8	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-61.2	-45.7	174.2	-179.3	62.4	0	0	0	110.4	I352 I355 L356 I439 Y440 W446 I447	I352-L443 HydrophobicContact CG1-CD1 4.35Å; I352-L443 HydrophobicContact CG2-CD1 4.21Å; I352-L443 HydrophobicContact CG2-CD2 4.32Å; I355-L443 HydrophobicContact CB-CD2 4.28Å; I355-L443 HydrophobicContact CD1-CD1 4.13Å; I355-L443 HydrophobicContact CG2-CD2 3.96Å; L356-L443 HydrophobicContact CD2-CD2 3.63Å; L356-L443 HydrophobicContact CG-CD2 3.81Å; I439-L443 WeakPolarHBondContact O-CB 3.44Å; I439-L443 PolarHBondContact O-N 3.12Å; Y440-L443 PolarHBondContact O-N 2.98Å; L443-W446 PolarHBondContact O-N 2.95Å; L443-I447 HydrophobicContact CD1-CD1 4.4Å; L443-I447 HydrophobicContact CG-CD1 4.14Å; L443-I447 VanDerWaalsContact O-CG1 3.29Å; L443-I447 WeakPolarHBondContact O-CG1 3.21Å; L443-I447 PolarHBondContact O-N 3.34Å
444	F	93.1	Very high	87.7	Confident	4 Å²	4	28.3 Å²	28.3	2%	0.018	14%	0.143	C	C	.	.	H	α-helix	trans	-61.6	-47.7	177	-174.7	-100.8	0	0	0	111.9	I229 F232 F246 T267 L270 Y440 E441 R442 W446 I447 V448	I229-F444 HydrophobicContact CG2-CE2 4.31Å; I229-F444 HydrophobicContact CG2-CZ 4.19Å; F232-F444 HydrophobicContact CB-CD2 3.85Å; F232-F444 HydrophobicContact CB-CE2 4.05Å; F246-F444 HydrophobicContact CD1-CZ 4.34Å; F246-F444 HydrophobicContact CD2-CE1 4.22Å; F246-F444 AromaticContact CD2-CZ 3.84Å; F246-F444 HydrophobicContact CD2-CZ 3.84Å; F246-F444 AromaticContact CE2-CZ 3.96Å; F246-F444 HydrophobicContact CE2-CZ 3.96Å; F246-F444 HydrophobicContact CG-CZ 4.09Å; F246-F444 HydrophobicContact CZ-CZ 4.39Å; T267-F444 HydrophobicContact CG2-CE1 3.84Å; T267-F444 HydrophobicContact CG2-CZ 4.11Å; L270-F444 HydrophobicContact CD1-CD1 4.27Å; L270-F444 HydrophobicContact CD1-CE1 4.24Å; L270-F444 HydrophobicContact CD1-CG 4.42Å; L270-F444 HydrophobicContact CD1-CZ 4.39Å; L270-F444 HydrophobicContact CD2-CB 3.89Å; L270-F444 HydrophobicContact CD2-CD1 3.84Å; L270-F444 HydrophobicContact CD2-CG 3.89Å; L270-F444 HydrophobicContact CG-CD1 4.48Å; Y440-F444 WeakPolarHBondContact O-CB 3.38Å; Y440-F444 PolarHBondContact O-N 2.86Å; E441-F444 PolarHBondContact O-N 3.13Å; R442-F444 VanDerWaalsContact C-N 3.32Å; F444-W446 VanDerWaalsContact C-N 3.32Å; F444-W446 PolarHBondContact O-N 3.43Å; F444-I447 PolarHBondContact O-N 2.91Å; F444-V448 HydrophobicContact CD1-CG2 4.35Å; F444-V448 HydrophobicContact CE1-CG2 4.07Å; F444-V448 HydrophobicContact CZ-CG2 4.32Å; F444-V448 WeakPolarHBondContact O-CG2 3.04Å; F444-V448 PolarHBondContact O-N 2.84Å
445	A	89	Confident	87.7	Confident	33 Å²	33	26.6 Å²	26.6	27%	0.273	13%	0.129	S	C	.	.	H	α-helix	trans	-58.8	-43.3	176.5	0	0	0	0	0	111.8	E441 R442 I447 V448 D449 T629	E441-A445 WeakPolarHBondContact O-CB 3.35Å; E441-A445 PolarHBondContact O-N 2.86Å; R442-A445 PolarHBondContact O-N 2.95Å; A445-I447 PolarHBondContact O-N 3.37Å; A445-V448 WeakPolarHBondContact O-CB 2.98Å; A445-V448 PolarHBondContact O-N 3.14Å; A445-D449 PolarHBondContact O-N 2.89Å; A445-T629 HydrophobicContact CB-CG2 4.08Å
446	W	89.7	Confident	87.3	Confident	10 Å²	10	30.2 Å²	30.2	4%	0.038	15%	0.145	C	C	.	.	H	α-helix	trans	-65.1	-39.1	176.6	179.4	79.6	0	0	0	113.3	L344 I352 R442 L443 F444 V448 D449 R450 P625 S628 T629	L344-W446 HydrophobicContact CD2-CH2 3.62Å; L344-W446 HydrophobicContact CD2-CZ2 4.47Å; L344-W446 HydrophobicContact CD2-CZ3 4.24Å; I352-W446 HydrophobicContact CD1-CH2 4.39Å; I352-W446 HydrophobicContact CD1-CZ3 3.71Å; I352-W446 HydrophobicContact CG1-CH2 4.49Å; I352-W446 HydrophobicContact CG1-CZ3 3.78Å; R442-W446 WeakPolarHBondContact O-CB 3.34Å; R442-W446 PolarHBondContact O-N 3.06Å; L443-W446 PolarHBondContact O-N 2.95Å; F444-W446 VanDerWaalsContact C-N 3.32Å; F444-W446 PolarHBondContact O-N 3.43Å; W446-V448 VanDerWaalsContact C-N 3.28Å; W446-V448 PolarHBondContact O-N 3.18Å; W446-D449 PolarHBondContact O-N 3.35Å; W446-R450 PolarHBondContact O-N 3.31Å; W446-P625 VanDerWaalsContact CB-O 3.23Å; W446-P625 WeakPolarHBondContact CB-O 3.4Å; W446-P625 VanDerWaalsContact CD1-C 3.5Å; W446-P625 HydrophobicContact CD2-CB 3.44Å; W446-P625 VanDerWaalsContact CD2-CB 3.44Å; W446-P625 HydrophobicContact CD2-CG 4.46Å; W446-P625 VanDerWaalsContact CE2-CA 3.45Å; W446-P625 HydrophobicContact CE3-CB 3.64Å; W446-P625 VanDerWaalsContact CG-C 3.43Å; W446-P625 HydrophobicContact CG-CB 3.89Å; W446-P625 HydrophobicContact CH2-CB 4.06Å; W446-P625 HydrophobicContact CH2-CG 4.13Å; W446-P625 HydrophobicContact CZ2-CB 3.91Å; W446-P625 HydrophobicContact CZ2-CG 4.09Å; W446-P625 HydrophobicContact CZ3-CB 3.96Å; W446-P625 HydrophobicContact CZ3-CG 4.38Å; W446-S628 PolarHBondContact NE1-OG 2.96Å; W446-S628 VanDerWaalsContact NE1-OG 3.13Å; W446-T629 HydrophobicContact CB-CG2 4.08Å
447	I	92.2	Very high	86.2	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-42.6	174.7	-69.6	167	0	0	0	109.8	L228 F232 I352 L443 F444 A445 R450 V451	L228-I447 HydrophobicContact CD1-CG2 4.46Å; L228-I447 HydrophobicContact CD2-CG2 4.25Å; L228-I447 HydrophobicContact CG-CG2 4.38Å; F232-I447 HydrophobicContact CD1-CD1 3.48Å; F232-I447 VanDerWaalsContact CD1-CD1 3.48Å; F232-I447 HydrophobicContact CD2-CD1 4.29Å; F232-I447 HydrophobicContact CE1-CD1 3.24Å; F232-I447 HydrophobicContact CE2-CD1 4.13Å; F232-I447 HydrophobicContact CG-CD1 4.01Å; F232-I447 HydrophobicContact CZ-CD1 3.61Å; I352-I447 HydrophobicContact CG2-CD1 4.33Å; L443-I447 HydrophobicContact CD1-CD1 4.4Å; L443-I447 HydrophobicContact CG-CD1 4.14Å; L443-I447 VanDerWaalsContact O-CG1 3.29Å; L443-I447 WeakPolarHBondContact O-CG1 3.21Å; L443-I447 PolarHBondContact O-N 3.34Å; F444-I447 PolarHBondContact O-N 2.91Å; A445-I447 PolarHBondContact O-N 3.37Å; I447-R450 PolarHBondContact O-N 2.92Å; I447-V451 VanDerWaalsContact O-CG2 3.3Å; I447-V451 WeakPolarHBondContact O-CG2 3.28Å; I447-V451 PolarHBondContact O-N 2.98Å
448	V	91.4	Very high	84.8	Confident	6 Å²	6	37 Å²	37	4%	0.036	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-43.3	175.5	173.4	0	0	0	0	111.3	I229 L265 T267 F444 A445 W446 R450 V451 N452	I229-V448 HydrophobicContact CD1-CG2 4.12Å; L265-V448 HydrophobicContact CD2-CG1 4.25Å; L265-V448 HydrophobicContact CD2-CG2 4.33Å; L265-V448 HydrophobicContact CG-CG1 4.31Å; T267-V448 HydrophobicContact CG2-CG1 4.29Å; T267-V448 HydrophobicContact CG2-CG2 3.7Å; F444-V448 HydrophobicContact CD1-CG2 4.35Å; F444-V448 HydrophobicContact CE1-CG2 4.07Å; F444-V448 HydrophobicContact CZ-CG2 4.32Å; F444-V448 WeakPolarHBondContact O-CG2 3.04Å; F444-V448 PolarHBondContact O-N 2.84Å; A445-V448 WeakPolarHBondContact O-CB 2.98Å; A445-V448 PolarHBondContact O-N 3.14Å; W446-V448 VanDerWaalsContact C-N 3.28Å; W446-V448 PolarHBondContact O-N 3.18Å; V448-R450 PolarHBondContact O-N 2.89Å; V448-V451 PolarHBondContact O-N 3.07Å; V448-N452 PolarHBondContact O-N 3.39Å; V448-N452 PolarHBondContact O-ND2 3.03Å
449	D	89.8	Confident	83.5	Confident	53 Å²	53	37.7 Å²	37.7	28%	0.283	19%	0.193	S	C	.	.	H	α-helix	trans	-60.8	-43.8	176.2	-73.2	-14.7	0	0	0	111.3	A445 W446 V451 N452 E453 T629	A445-D449 PolarHBondContact O-N 2.89Å; W446-D449 PolarHBondContact O-N 3.35Å; D449-V451 PolarHBondContact O-N 2.66Å; D449-N452 WeakPolarHBondContact O-CB 3.44Å; D449-N452 PolarHBondContact O-N 2.94Å; D449-N452 VanDerWaalsContact O-N 3.17Å; D449-E453 WeakPolarHBondContact O-CG 3.46Å; D449-E453 PolarHBondContact O-N 2.89Å; D449-T629 WeakPolarHBondContact OD2-CG2 3.25Å
450	R	87.9	Confident	82.1	Confident	67 Å²	67	42 Å²	42	25%	0.253	22%	0.222	S	C	.	.	H	α-helix	trans	-63.9	-39	175.5	-177.5	57.9	49	153.4	-13.4	113.1	L344 W446 I447 V448 N452 E453 N454	L344-R450 HydrophobicContact CD1-CG 4.07Å; L344-R450 HydrophobicContact CD2-CG 3.86Å; L344-R450 HydrophobicContact CG-CG 3.92Å; W446-R450 PolarHBondContact O-N 3.31Å; I447-R450 PolarHBondContact O-N 2.92Å; V448-R450 PolarHBondContact O-N 2.89Å; R450-N452 VanDerWaalsContact C-N 3.3Å; R450-E453 IonicContact CZ-OE2 2.89Å; R450-E453 IonicContact NE-OE2 3.89Å; R450-E453 PolarHBondContact NE-OE2 3.47Å; R450-E453 IonicContact NH1-OE2 3.99Å; R450-E453 IonicContact NH2-OE2 2.79Å; R450-E453 PolarHBondContact NH2-OE2 3.31Å; R450-E453 VanDerWaalsContact NH2-OE2 3.08Å; R450-E453 PolarHBondContact O-N 2.68Å; R450-N454 PolarHBondContact O-N 3.04Å; R450-N454 PolarHBondContact O-ND2 2.94Å
451	V	88.8	Confident	80.4	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-44.1	173.7	166	0	0	0	0	109.5	L228 L265 Y342 I447 V448 D449 N454 L455	L228-V451 HydrophobicContact CD2-CG2 3.68Å; L265-V451 HydrophobicContact CD2-CG1 4.35Å; Y342-V451 HydrophobicContact CD1-CB 4.49Å; Y342-V451 HydrophobicContact CD1-CG1 4.43Å; Y342-V451 HydrophobicContact CD1-CG2 4.27Å; Y342-V451 HydrophobicContact CD2-CG2 4.05Å; Y342-V451 HydrophobicContact CE1-CB 4.38Å; Y342-V451 HydrophobicContact CE1-CG1 3.85Å; Y342-V451 HydrophobicContact CE1-CG2 4.3Å; Y342-V451 HydrophobicContact CE2-CG2 4.11Å; Y342-V451 HydrophobicContact CG-CG2 4.14Å; I447-V451 VanDerWaalsContact O-CG2 3.3Å; I447-V451 WeakPolarHBondContact O-CG2 3.28Å; I447-V451 PolarHBondContact O-N 2.98Å; V448-V451 PolarHBondContact O-N 3.07Å; D449-V451 PolarHBondContact O-N 2.66Å; V451-N454 PolarHBondContact O-N 3.4Å; V451-L455 HydrophobicContact CG1-CD1 3.46Å; V451-L455 VanDerWaalsContact CG1-CD1 3.46Å; V451-L455 HydrophobicContact CG1-CG 4.08Å; V451-L455 WeakPolarHBondContact O-CB 3.41Å; V451-L455 WeakPolarHBondContact O-CG 3.32Å; V451-L455 PolarHBondContact O-N 3.3Å
452	N	89.6	Confident	78.9	Confident	27 Å²	27	50.1 Å²	50.1	14%	0.144	28%	0.284	C	S	.	.	H	α-helix	trans	-65.2	-40.2	177.2	-75.7	-34.5	0	0	0	113.6	L265 V448 D449 R450 N454 L455 F456	L265-N452 PolarHBondContact N-OD1 2.9Å; L265-N452 PolarHBondContact O-ND2 3.14Å; L265-N452 PolarHBondContact O-OD1 3.38Å; V448-N452 PolarHBondContact O-N 3.39Å; V448-N452 PolarHBondContact O-ND2 3.03Å; D449-N452 WeakPolarHBondContact O-CB 3.44Å; D449-N452 PolarHBondContact O-N 2.94Å; D449-N452 VanDerWaalsContact O-N 3.17Å; R450-N452 VanDerWaalsContact C-N 3.3Å; N452-N454 PolarHBondContact O-N 2.74Å; N452-L455 PolarHBondContact O-N 3.49Å; N452-F456 WeakPolarHBondContact O-CB 3.32Å; N452-F456 PolarHBondContact O-N 3.26Å
453	E	86.3	Confident	77.5	Confident	114 Å²	114	50.2 Å²	50.2	53%	0.533	29%	0.292	S	S	.	.	H	α-helix	trans	-56.1	-33.4	175.9	-75.9	171.2	-174.5	0	0	112.3	D449 R450	D449-E453 WeakPolarHBondContact O-CG 3.46Å; D449-E453 PolarHBondContact O-N 2.89Å; R450-E453 IonicContact CZ-OE2 2.89Å; R450-E453 IonicContact NE-OE2 3.89Å; R450-E453 PolarHBondContact NE-OE2 3.47Å; R450-E453 IonicContact NH1-OE2 3.99Å; R450-E453 IonicContact NH2-OE2 2.79Å; R450-E453 PolarHBondContact NH2-OE2 3.31Å; R450-E453 VanDerWaalsContact NH2-OE2 3.08Å; R450-E453 PolarHBondContact O-N 2.68Å
454	N	82.9	Confident	76.5	Confident	61 Å²	61	52.9 Å²	52.9	33%	0.326	30%	0.304	S	S	.	.	H	α-helix	trans	-90.1	-38.6	179	-70.6	-67	0	0	0	113.7	Y342 R450 V451 N452 F456	Y342-N454 HydrophobicContact CD1-CB 3.95Å; Y342-N454 PolarHBondContact O-ND2 3.36Å; R450-N454 PolarHBondContact O-N 3.04Å; R450-N454 PolarHBondContact O-ND2 2.94Å; V451-N454 PolarHBondContact O-N 3.4Å; N452-N454 PolarHBondContact O-N 2.74Å; N454-F456 VanDerWaalsContact C-N 3.29Å; N454-F456 PolarHBondContact O-N 3.22Å
455	L	81.7	Confident	76.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-72.2	-24.7	179.3	-70	177	0	0	0	112.6	I218 Q221 I222 G262 A263 Y342 V451 N452 V457	I218-L455 HydrophobicContact CD1-CD2 4.06Å; Q221-L455 HydrophobicContact CB-CD2 3.76Å; I222-L455 HydrophobicContact CG1-CD2 4.25Å; G262-L455 VanDerWaalsContact CA-O 3.26Å; G262-L455 WeakPolarHBondContact CA-O 3.46Å; A263-L455 HydrophobicContact CB-CB 4.32Å; A263-L455 HydrophobicContact CB-CD1 4.19Å; A263-L455 PolarHBondContact N-O 3.43Å; A263-L455 CarbonylContact O-C 3.59Å; A263-L455 WeakPolarHBondContact O-CB 3.42Å; Y342-L455 HydrophobicContact CE1-CD1 4.41Å; Y342-L455 HydrophobicContact CE1-CD2 3.9Å; Y342-L455 HydrophobicContact CE1-CG 3.88Å; V451-L455 HydrophobicContact CG1-CD1 3.46Å; V451-L455 VanDerWaalsContact CG1-CD1 3.46Å; V451-L455 HydrophobicContact CG1-CG 4.08Å; V451-L455 WeakPolarHBondContact O-CB 3.41Å; V451-L455 WeakPolarHBondContact O-CG 3.32Å; V451-L455 PolarHBondContact O-N 3.3Å; N452-L455 PolarHBondContact O-N 3.49Å; L455-V457 PolarHBondContact O-N 3.23Å
456	F	71.6	Confident	76.3	Confident	80 Å²	80	53.4 Å²	53.4	35%	0.351	30%	0.301	S	S	.	.			trans	-88.9	104.7	-174.9	-168.7	-96.1	0	0	0	111.7	L253 N452 N454	L253-F456 HydrophobicContact CD1-CD2 4.04Å; L253-F456 HydrophobicContact CD1-CE2 4.12Å; N452-F456 WeakPolarHBondContact O-CB 3.32Å; N452-F456 PolarHBondContact O-N 3.26Å; N454-F456 VanDerWaalsContact C-N 3.29Å; N454-F456 PolarHBondContact O-N 3.22Å
457	V	65.6	Low	76.5	Confident	67 Å²	67	53 Å²	53	41%	0.406	30%	0.299	S	S	.	.			trans	-83	124.9	165.7	-177.4	0	0	0	0	108.3	M261 L455 I459	M261-V457 WeakPolarHBondContact O-CG2 3.37Å; L455-V457 PolarHBondContact O-N 3.23Å; V457-I459 HydrophobicContact CG1-CG1 4.38Å; V457-I459 WeakPolarHBondContact O-CG1 3.4Å; V457-I459 PolarHBondContact O-N 3.08Å; V457-I459 VanDerWaalsContact O-N 3.13Å
458	T	57	Low	76.6	Confident	126 Å²	126	52.9 Å²	52.9	77%	0.773	30%	0.299	S	S	*	.			trans	-65.9	112.4	177.7	-56.2	0	0	0	0	109.4
459	I	54.4	Low	76.8	Confident	22 Å²	22	52.8 Å²	52.8	11%	0.113	30%	0.298	C	S	.	.			trans	-123.4	144.4	177.4	-54.3	159.4	0	0	0	108.1	M261 V457 S461 Q464	M261-I459 HydrophobicContact CB-CD1 3.57Å; M261-I459 HydrophobicContact CE-CD1 4.29Å; M261-I459 HydrophobicContact CG-CD1 3.98Å; V457-I459 HydrophobicContact CG1-CG1 4.38Å; V457-I459 WeakPolarHBondContact O-CG1 3.4Å; V457-I459 PolarHBondContact O-N 3.08Å; V457-I459 VanDerWaalsContact O-N 3.13Å; I459-S461 PolarHBondContact O-N 3.29Å; I459-Q464 HydrophobicContact CB-CG 4.39Å; I459-Q464 HydrophobicContact CG2-CG 4.38Å
460	P	55.4	Low	77.1	Confident	94 Å²	94	50.3 Å²	50.3	61%	0.61	29%	0.285	S	S	*	.			trans	-53.6	128.9	172	-24.2	33	0	0	0	111.9	S462 T463	P460-S462 PolarHBondContact O-N 3.31Å; P460-T463 PolarHBondContact O-OG1 3.35Å
461	S	57.6	Low	77.3	Confident	108 Å²	108	47.3 Å²	47.3	76%	0.755	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-60.2	-19.1	-170.2	-45.1	0	0	0	0	115.2	I459 T463	I459-S461 PolarHBondContact O-N 3.29Å; S461-T463 VanDerWaalsContact C-N 3.25Å; S461-T463 PolarHBondContact O-N 3.39Å
462	S	54.8	Low	77.4	Confident	112 Å²	112	47.9 Å²	47.9	78%	0.783	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-73.4	-8.5	-172.4	59.6	0	0	0	0	115	P460	P460-S462 PolarHBondContact O-N 3.31Å
463	T	58.4	Low	77.2	Confident	68 Å²	68	48.1 Å²	48.1	42%	0.417	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-125	2.7	-175.2	50.3	0	0	0	0	114.9	P460 S461 Q465	P460-T463 PolarHBondContact O-OG1 3.35Å; S461-T463 VanDerWaalsContact C-N 3.25Å; S461-T463 PolarHBondContact O-N 3.39Å; T463-Q465 PolarHBondContact O-N 2.82Å
464	Q	69.7	Low	77.2	Confident	56 Å²	56	42.7 Å²	42.7	26%	0.262	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	111.3	-174.2	-70.4	-173.8	-24.3	0	0	111.9	I459	I459-Q464 HydrophobicContact CB-CG 4.39Å; I459-Q464 HydrophobicContact CG2-CG 4.38Å
465	Q	87	Confident	77.5	Confident	22 Å²	22	40 Å²	40	10%	0.103	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	147.4	163.7	-64.4	-176	-23.7	0	0	109.2	M170 K174 N176 F254 T463	M170-Q465 HydrophobicContact CG-CB 3.97Å; M170-Q465 HydrophobicContact SD-CB 3.75Å; K174-Q465 PolarHBondContact O-NE2 3.08Å; N176-Q465 VanDerWaalsContact OD1-CA 3.28Å; N176-Q465 WeakPolarHBondContact OD1-CA 3.41Å; F254-Q465 PolarHBondContact N-O 2.9Å; F254-Q465 PolarHBondContact O-N 3.24Å; T463-Q465 PolarHBondContact O-N 2.82Å
466	F	91	Very high	77.6	Confident	27 Å²	27	40.5 Å²	40.5	12%	0.118	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.4	178.1	75.5	-95.2	0	0	0	113.6	N176 Q177 F249 Q251 L252 L253 L666 T670	N176-F466 HydrophobicContact CB-CD1 3.95Å; N176-F466 HydrophobicContact CB-CE1 3.71Å; N176-F466 HydrophobicContact CB-CE2 4.38Å; N176-F466 HydrophobicContact CB-CG 4.4Å; N176-F466 HydrophobicContact CB-CZ 3.93Å; N176-F466 VanDerWaalsContact CG-CD1 3.42Å; N176-F466 VanDerWaalsContact CG-CE1 3.44Å; N176-F466 WeakPolarHBondContact ND2-CD1 3.25Å; N176-F466 WeakPolarHBondContact ND2-CE1 3.42Å; N176-F466 PolarHBondContact OD1-N 3.37Å; Q177-F466 PolarHBondContact N-O 3.17Å; F249-F466 HydrophobicContact CZ-CE2 4.41Å; Q251-F466 HydrophobicContact CB-CD2 4.3Å; Q251-F466 HydrophobicContact CG-CD2 4.24Å; Q251-F466 HydrophobicContact CG-CE2 4.44Å; L252-F466 CarbonylContact O-C 3.57Å; L252-F466 WeakPolarHBondContact O-CA 3.3Å; L252-F466 WeakPolarHBondContact O-CB 3.43Å; L253-F466 HydrophobicContact CD2-CB 4.08Å; F466-L666 HydrophobicContact CE2-CD2 4.03Å; F466-L666 HydrophobicContact CZ-CD2 3.8Å; F466-L666 HydrophobicContact CZ-CG 4.21Å; F466-T670 HydrophobicContact CE2-CG2 3.85Å; F466-T670 HydrophobicContact CZ-CG2 3.58Å
467	I	94.1	Very high	78.3	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	113.7	166.3	-53.9	-179.8	0	0	0	107.6	A166 F167 M170 Q177 I179 L200 L252 F254	A166-I467 HydrophobicContact CB-CG2 4.37Å; F167-I467 HydrophobicContact CB-CD1 4.13Å; F167-I467 HydrophobicContact CD2-CD1 4.06Å; M170-I467 HydrophobicContact CE-CD1 3.98Å; M170-I467 HydrophobicContact CE-CG1 4.1Å; M170-I467 HydrophobicContact SD-CD1 4.15Å; M170-I467 HydrophobicContact SD-CG1 3.63Å; Q177-I467 HydrophobicContact CB-CG1 4.21Å; Q177-I467 HydrophobicContact CB-CG2 4.28Å; Q177-I467 WeakPolarHBondContact O-CA 3.38Å; I179-I467 HydrophobicContact CD1-CG2 4.16Å; I179-I467 HydrophobicContact CG1-CG2 4.46Å; L200-I467 HydrophobicContact CD1-CB 4.34Å; L200-I467 HydrophobicContact CD1-CD1 4.37Å; L200-I467 HydrophobicContact CD1-CG2 3.82Å; L200-I467 HydrophobicContact CD2-CD1 3.95Å; L252-I467 PolarHBondContact N-O 2.93Å; L252-I467 PolarHBondContact O-N 3.48Å; F254-I467 HydrophobicContact CD2-CD1 4.47Å; F254-I467 HydrophobicContact CD2-CG1 4.16Å; F254-I467 HydrophobicContact CE2-CB 3.99Å; F254-I467 HydrophobicContact CE2-CD1 3.79Å; F254-I467 HydrophobicContact CE2-CG1 3.7Å; F254-I467 HydrophobicContact CZ-CD1 4.21Å
468	G	93.9	Very high	79.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	129.8	177.6	0	0	0	0	0	112	Q177 S178 I179 L250	Q177-G468 PolarHBondContact O-N 3.27Å; S178-G468 CarbonylContact C-O 3.43Å; S178-G468 WeakPolarHBondContact CA-O 3.42Å; I179-G468 PolarHBondContact N-O 2.9Å; L250-G468 CarbonylContact O-C 3.57Å; L250-G468 WeakPolarHBondContact O-CA 2.86Å
469	V	95.6	Very high	80.2	Confident	4 Å²	4	42 Å²	42	2%	0.024	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	111.6	172.9	-175.7	0	0	0	0	108.4	I179 A193 V196 M197 L200 F249 L250	I179-V469 WeakPolarHBondContact O-CA 3.4Å; A193-V469 HydrophobicContact CB-CG1 4.1Å; V196-V469 HydrophobicContact CG1-CG2 3.82Å; M197-V469 HydrophobicContact CG-CB 4.43Å; M197-V469 HydrophobicContact CG-CG1 4.42Å; M197-V469 HydrophobicContact CG-CG2 4.25Å; L200-V469 HydrophobicContact CD1-CG2 4.48Å; F249-V469 WeakPolarHBondContact CA-O 3.39Å; L250-V469 PolarHBondContact N-O 3.31Å; L250-V469 PolarHBondContact O-N 3.37Å
470	L	95.2	Very high	81.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	108.8	179.3	-175	64.1	0	0	0	109.5	I179 I180 V181 K248 F249 I472 L495 L663 L667	I179-L470 PolarHBondContact O-N 2.97Å; I180-L470 HydrophobicContact CG1-CB 4.3Å; I180-L470 HydrophobicContact CG1-CD2 4.13Å; I180-L470 HydrophobicContact CG2-CD2 4.21Å; V181-L470 PolarHBondContact N-O 3.37Å; K248-L470 WeakPolarHBondContact O-CA 3.28Å; F249-L470 HydrophobicContact CB-CD1 3.77Å; F249-L470 HydrophobicContact CD2-CB 3.65Å; F249-L470 HydrophobicContact CD2-CD1 3.85Å; F249-L470 HydrophobicContact CD2-CG 4.32Å; F249-L470 HydrophobicContact CE2-CB 4.13Å; F249-L470 HydrophobicContact CG-CD1 4.15Å; L470-I472 HydrophobicContact CD1-CG2 3.48Å; L470-I472 VanDerWaalsContact CD1-CG2 3.48Å; L470-I472 HydrophobicContact CD2-CD1 3.96Å; L470-I472 HydrophobicContact CD2-CG1 4.37Å; L470-I472 HydrophobicContact CD2-CG2 4.09Å; L470-I472 HydrophobicContact CG-CB 4.43Å; L470-I472 HydrophobicContact CG-CD1 4.3Å; L470-I472 HydrophobicContact CG-CG1 4.15Å; L470-I472 HydrophobicContact CG-CG2 3.56Å; L470-L495 HydrophobicContact CD2-CD2 4.5Å; L470-L663 HydrophobicContact CD1-CD1 4.41Å; L470-L663 HydrophobicContact CD1-CD2 4.21Å; L470-L663 HydrophobicContact CD2-CD1 4.48Å; L470-L663 HydrophobicContact CD2-CD2 4.07Å; L470-L667 HydrophobicContact CD2-CD1 4.35Å
471	D	93.8	Very high	83.2	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.027	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	107.2	170	179.5	15.2	0	0	0	108.6	K189 T190 A193 G247 K248	K189-D471 WeakPolarHBondContact CB-OD1 3.35Å; T190-D471 VanDerWaalsContact CA-OD2 3.31Å; T190-D471 WeakPolarHBondContact CA-OD2 3.39Å; T190-D471 WeakPolarHBondContact CB-OD2 3.38Å; T190-D471 PolarHBondContact OG1-OD2 3.2Å; A193-D471 HydrophobicContact CB-CB 4.08Å; G247-D471 WeakPolarHBondContact CA-O 3.5Å; K248-D471 HydrophobicContact CD-CB 4.46Å; K248-D471 WeakPolarHBondContact CE-OD2 3.44Å; K248-D471 HydrophobicContact CG-CB 3.79Å; K248-D471 PolarHBondContact N-O 2.89Å; K248-D471 IonicContact NZ-OD2 3.22Å; K248-D471 PolarHBondContact O-N 3.03Å
472	I	90.5	Very high	84.6	Confident	12 Å²	12	35.3 Å²	35.3	6%	0.062	20%	0.197	C	C	.	.			trans	-132.4	157.9	-174	51.5	165.9	0	0	0	111	I180 V181 K189 L470 L495	I180-I472 HydrophobicContact CG2-CD1 4.04Å; I180-I472 HydrophobicContact CG2-CG1 4.48Å; V181-I472 PolarHBondContact O-N 3.29Å; K189-I472 WeakPolarHBondContact CD-O 3.35Å; K189-I472 VanDerWaalsContact CE-O 3.32Å; K189-I472 WeakPolarHBondContact CE-O 3.26Å; L470-I472 HydrophobicContact CD1-CG2 3.48Å; L470-I472 VanDerWaalsContact CD1-CG2 3.48Å; L470-I472 HydrophobicContact CD2-CD1 3.96Å; L470-I472 HydrophobicContact CD2-CG1 4.37Å; L470-I472 HydrophobicContact CD2-CG2 4.09Å; L470-I472 HydrophobicContact CG-CB 4.43Å; L470-I472 HydrophobicContact CG-CD1 4.3Å; L470-I472 HydrophobicContact CG-CG1 4.15Å; L470-I472 HydrophobicContact CG-CG2 3.56Å; I472-L495 HydrophobicContact CD1-CD1 3.05Å; I472-L495 HydrophobicContact CD1-CG 4.49Å
473	Y	85.5	Confident	86.2	Confident	32 Å²	32	30.2 Å²	30.2	13%	0.125	16%	0.161	C	C	.	.			trans	-61.2	147	172.1	40.3	-105.8	0	0	0	111.6	L269 I488 A491 N492 F656	L269-Y473 HydrophobicContact CB-CE1 4.3Å; L269-Y473 HydrophobicContact CD2-CE1 3.85Å; L269-Y473 VanDerWaalsContact CD2-OH 3.27Å; L269-Y473 WeakPolarHBondContact CD2-OH 3.37Å; Y473-I488 HydrophobicContact CD1-CD1 4.42Å; Y473-I488 HydrophobicContact CD1-CG1 4.01Å; Y473-I488 HydrophobicContact CD2-CB 3.83Å; Y473-I488 HydrophobicContact CD2-CG1 3.67Å; Y473-I488 HydrophobicContact CD2-CG2 3.39Å; Y473-I488 HydrophobicContact CE1-CG1 3.92Å; Y473-I488 VanDerWaalsContact CE2-CA 3.47Å; Y473-I488 HydrophobicContact CE2-CB 3.75Å; Y473-I488 HydrophobicContact CE2-CG1 3.57Å; Y473-I488 HydrophobicContact CE2-CG2 3.79Å; Y473-I488 HydrophobicContact CG-CB 4.46Å; Y473-I488 HydrophobicContact CG-CD1 4.32Å; Y473-I488 HydrophobicContact CG-CG1 3.87Å; Y473-I488 HydrophobicContact CG-CG2 4.05Å; Y473-A491 HydrophobicContact CE2-CB 3.99Å; Y473-N492 PolarHBondContact O-ND2 3.28Å; Y473-N492 PolarHBondContact O-OD1 3.28Å; Y473-F656 VanDerWaalsContact OH-CZ 3.25Å; Y473-F656 WeakPolarHBondContact OH-CZ 3.2Å
474	G	86.4	Confident	87.4	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.01	15%	0.149	C	C	.	.			trans	-79.7	177.2	167.3	0	0	0	0	0	111.6	G183 I488 N492	G183-G474 WeakPolarHBondContact O-CA 2.86Å; G183-G474 PolarHBondContact O-N 3.06Å; G474-I488 WeakPolarHBondContact O-CG2 3.48Å; G474-N492 VanDerWaalsContact C-ND2 3.27Å; G474-N492 PolarHBondContact O-ND2 2.7Å
475	F	89.1	Confident	88.3	Confident	4 Å²	4	26.9 Å²	26.9	2%	0.018	14%	0.14	C	C	.	.			trans	-61.7	134.2	173.9	-163.3	-82.7	0	0	0	110.3	I477 N489 N492 H589 F590 A591 V594 A700	F475-I477 HydrophobicContact CD1-CD1 4.21Å; F475-I477 HydrophobicContact CD1-CG1 3.88Å; F475-I477 HydrophobicContact CE1-CD1 3.76Å; F475-I477 HydrophobicContact CE1-CG1 3.55Å; F475-N489 WeakPolarHBondContact CD1-OD1 3.05Å; F475-N489 HydrophobicContact CD2-CB 4.23Å; F475-N489 WeakPolarHBondContact CD2-OD1 3.43Å; F475-N489 WeakPolarHBondContact CE1-OD1 3.15Å; F475-N489 HydrophobicContact CE2-CB 3.68Å; F475-N489 WeakPolarHBondContact CE2-OD1 3.32Å; F475-N489 WeakPolarHBondContact CG-OD1 3.17Å; F475-N489 HydrophobicContact CZ-CB 3.92Å; F475-N489 WeakPolarHBondContact CZ-OD1 3.31Å; F475-N492 HydrophobicContact CB-CB 4.4Å; F475-N492 HydrophobicContact CD2-CB 3.95Å; F475-N492 PolarHBondContact N-ND2 2.91Å; F475-H589 HydrophobicContact CE2-CB 3.56Å; F475-H589 AromaticContact CE2-CG 3.71Å; F475-H589 HydrophobicContact CZ-CB 3.35Å; F475-H589 AromaticContact CZ-CD2 3.86Å; F475-H589 AromaticContact CZ-CG 3.53Å; F475-F590 AromaticContact CD2-CE1 3.78Å; F475-F590 HydrophobicContact CD2-CE1 3.78Å; F475-F590 HydrophobicContact CD2-CZ 4.22Å; F475-F590 HydrophobicContact CE2-CE1 4.2Å; F475-A591 HydrophobicContact CD1-CB 3.54Å; F475-A591 HydrophobicContact CD2-CB 3.96Å; F475-A591 HydrophobicContact CE1-CB 3.6Å; F475-A591 HydrophobicContact CE2-CB 4.02Å; F475-A591 HydrophobicContact CG-CB 3.75Å; F475-A591 HydrophobicContact CZ-CB 3.87Å; F475-V594 HydrophobicContact CE1-CG2 3.75Å; F475-V594 HydrophobicContact CZ-CG2 3.81Å; F475-A700 HydrophobicContact CB-CB 4.22Å; F475-A700 WeakPolarHBondContact CB-O 3.4Å
476	E	83.9	Confident	88.5	Confident	10 Å²	10	25.8 Å²	25.8	5%	0.047	14%	0.136	C	C	.	.			trans	-126.3	128.4	-174.2	-68.8	-168.5	155.5	0	0	111.8	F478 I488 N489	E476-F478 HydrophobicContact CB-CE1 4.3Å; E476-F478 HydrophobicContact CB-CZ 4.2Å; E476-F478 HydrophobicContact CG-CZ 4.32Å; E476-F478 WeakPolarHBondContact OE2-CZ 3.47Å; E476-I488 HydrophobicContact CB-CG2 4.36Å; E476-I488 HydrophobicContact CG-CG2 4.28Å; E476-N489 PolarHBondContact N-OD1 3.01Å; E476-N489 PolarHBondContact O-ND2 2.81Å; E476-N489 PolarHBondContact O-OD1 3.05Å
477	I	84.8	Confident	88.5	Confident	66 Å²	66	24.6 Å²	24.6	34%	0.338	13%	0.131	S	C	.	.			trans	-127	112.4	174.1	-49.7	179.2	0	0	0	108.2	F475 V594	F475-I477 HydrophobicContact CD1-CD1 4.21Å; F475-I477 HydrophobicContact CD1-CG1 3.88Å; F475-I477 HydrophobicContact CE1-CD1 3.76Å; F475-I477 HydrophobicContact CE1-CG1 3.55Å; I477-V594 HydrophobicContact CD1-CG2 3.92Å; I477-V594 HydrophobicContact CG1-CG2 3.82Å; I477-V594 HydrophobicContact CG2-CG1 4.43Å
478	F	83.5	Confident	88.2	Confident	62 Å²	62	25.3 Å²	25.3	27%	0.272	13%	0.134	S	C	.	.			trans	-110.5	173.7	175.2	-59.3	-25.4	0	0	0	111.4	E476 S480 N481 Q485	E476-F478 HydrophobicContact CB-CE1 4.3Å; E476-F478 HydrophobicContact CB-CZ 4.2Å; E476-F478 HydrophobicContact CG-CZ 4.32Å; E476-F478 WeakPolarHBondContact OE2-CZ 3.47Å; F478-S480 VanDerWaalsContact C-N 3.26Å; F478-S480 PolarHBondContact O-N 3.47Å; F478-N481 PolarHBondContact N-OD1 3.06Å; F478-N481 PolarHBondContact O-ND2 3.01Å; F478-Q485 HydrophobicContact CD2-CG 3.79Å; F478-Q485 HydrophobicContact CE2-CG 3.93Å
479	N	80.6	Confident	88.1	Confident	176 Å²	176	25.3 Å²	25.3	94%	0.941	13%	0.134	S	C	*	.	S	Bend	trans	-65.4	-30.7	176.1	-64.6	-9.3	0	0	0	112.4
480	S	82.9	Confident	88	Confident	60 Å²	60	25.2 Å²	25.2	42%	0.42	13%	0.133	S	C	.	.	S	Bend	trans	-136	116	172.1	-177.2	0	0	0	0	107.7	F478 T597	F478-S480 VanDerWaalsContact C-N 3.26Å; F478-S480 PolarHBondContact O-N 3.47Å; S480-T597 PolarHBondContact OG-OG1 3.33Å
481	N	89.2	Confident	87.7	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.011	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-105.4	120.4	-177.2	-56.3	-75.5	0	0	0	109	F478 Q485 V594 N595 Y596 T597	F478-N481 PolarHBondContact N-OD1 3.06Å; F478-N481 PolarHBondContact O-ND2 3.01Å; N481-Q485 HydrophobicContact CB-CB 3.95Å; N481-Q485 HydrophobicContact CB-CG 4.45Å; N481-V594 HydrophobicContact CB-CG1 4.28Å; N481-N595 WeakPolarHBondContact CB-O 2.99Å; N481-N595 PolarHBondContact ND2-O 2.88Å; N481-Y596 HydrophobicContact CB-CD1 3.53Å; N481-Y596 HydrophobicContact CB-CE1 3.79Å; N481-Y596 HydrophobicContact CB-CG 4.44Å; N481-Y596 WeakPolarHBondContact O-CA 3.31Å; N481-T597 PolarHBondContact O-N 3.03Å
482	S	87.4	Confident	87.6	Confident	23 Å²	23	25.8 Å²	25.8	16%	0.161	14%	0.137	C	C	.	.			trans	-101.7	-172.9	177.9	55.9	0	0	0	0	111.9	E484 Q485 F486 K604	S482-E484 WeakPolarHBondContact CB-OE2 3.49Å; S482-E484 PolarHBondContact O-N 3.1Å; S482-E484 VanDerWaalsContact O-N 3.12Å; S482-E484 PolarHBondContact OG-OE2 3.09Å; S482-Q485 PolarHBondContact O-N 2.81Å; S482-Q485 VanDerWaalsContact O-N 3.08Å; S482-Q485 PolarHBondContact OG-OE1 3.35Å; S482-Q485 VanDerWaalsContact OG-OE1 3.06Å; S482-F486 PolarHBondContact O-N 3.37Å; S482-K604 PolarHBondContact OG-NZ 3.44Å; S482-K604 VanDerWaalsContact OG-NZ 3.11Å
483	L	87.2	Confident	87.7	Confident	5 Å²	5	25.2 Å²	25.2	3%	0.026	13%	0.134	C	C	.	.	H	α-helix	trans	-50.5	-37	-178.8	-179.5	64.1	0	0	0	113.3	F486 C487 L543 F601 K604 N605	L483-F486 WeakPolarHBondContact O-CB 3.36Å; L483-F486 PolarHBondContact O-N 3.43Å; L483-C487 WeakPolarHBondContact O-CB 3.32Å; L483-C487 PolarHBondContact O-N 2.53Å; L483-C487 PolarHBondContact O-SG 2.85Å; L483-L543 HydrophobicContact CD1-CD2 3.88Å; L483-F601 HydrophobicContact CB-CD1 4.26Å; L483-F601 HydrophobicContact CB-CD2 4.48Å; L483-F601 HydrophobicContact CB-CE1 4.27Å; L483-F601 HydrophobicContact CB-CE2 4.46Å; L483-F601 HydrophobicContact CB-CG 4.39Å; L483-F601 HydrophobicContact CB-CZ 4.38Å; L483-F601 HydrophobicContact CD1-CD1 3.88Å; L483-F601 HydrophobicContact CD1-CE1 3.9Å; L483-K604 HydrophobicContact CB-CB 4.4Å; L483-K604 HydrophobicContact CB-CD 4.28Å; L483-K604 HydrophobicContact CD2-CB 3.72Å; L483-N605 HydrophobicContact CD2-CB 3.91Å
484	E	84.3	Confident	88	Confident	37 Å²	37	24 Å²	24	17%	0.173	13%	0.13	C	C	.	.	H	α-helix	trans	-65.3	-46.2	179.9	-56.3	86.1	164.2	0	0	111.3	S482 F486 C487 I488 K604	S482-E484 WeakPolarHBondContact CB-OE2 3.49Å; S482-E484 PolarHBondContact O-N 3.1Å; S482-E484 VanDerWaalsContact O-N 3.12Å; S482-E484 PolarHBondContact OG-OE2 3.09Å; E484-F486 VanDerWaalsContact C-N 3.3Å; E484-F486 PolarHBondContact O-N 3.38Å; E484-C487 PolarHBondContact O-N 2.89Å; E484-I488 WeakPolarHBondContact O-CB 3.23Å; E484-I488 VanDerWaalsContact O-CG1 3.26Å; E484-I488 WeakPolarHBondContact O-CG1 3.21Å; E484-I488 PolarHBondContact O-N 3.33Å; E484-K604 VanDerWaalsContact CD-NZ 3.29Å; E484-K604 WeakPolarHBondContact OE1-CD 3.43Å; E484-K604 WeakPolarHBondContact OE1-CE 3.47Å; E484-K604 IonicContact OE1-NZ 2.67Å; E484-K604 PolarHBondContact OE1-NZ 3.28Å; E484-K604 IonicContact OE2-NZ 2.99Å; E484-K604 PolarHBondContact OE2-NZ 2.91Å
485	Q	88.6	Confident	88.2	Confident	16 Å²	16	24.6 Å²	24.6	8%	0.075	13%	0.133	C	C	.	.	H	α-helix	trans	-66.2	-34.7	174.1	-74	70.1	44.6	0	0	111.3	F478 N481 S482 I488 N489 Y596	F478-Q485 HydrophobicContact CD2-CG 3.79Å; F478-Q485 HydrophobicContact CE2-CG 3.93Å; N481-Q485 HydrophobicContact CB-CB 3.95Å; N481-Q485 HydrophobicContact CB-CG 4.45Å; S482-Q485 PolarHBondContact O-N 2.81Å; S482-Q485 VanDerWaalsContact O-N 3.08Å; S482-Q485 PolarHBondContact OG-OE1 3.35Å; S482-Q485 VanDerWaalsContact OG-OE1 3.06Å; Q485-I488 PolarHBondContact O-N 2.58Å; Q485-N489 WeakPolarHBondContact O-CB 3.35Å; Q485-N489 PolarHBondContact O-N 3.37Å; Q485-N489 PolarHBondContact O-ND2 2.88Å; Q485-Y596 HydrophobicContact CB-CE1 4.49Å
486	F	92.3	Very high	88.2	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62	-46.9	174	-174.6	-101.6	0	0	0	111.1	S482 L483 E484 I488 N489 Y490 I533 I539 Y540 F585 V587 Y596 F601	S482-F486 PolarHBondContact O-N 3.37Å; L483-F486 WeakPolarHBondContact O-CB 3.36Å; L483-F486 PolarHBondContact O-N 3.43Å; E484-F486 VanDerWaalsContact C-N 3.3Å; E484-F486 PolarHBondContact O-N 3.38Å; F486-I488 PolarHBondContact O-N 3.34Å; F486-N489 PolarHBondContact O-N 2.88Å; F486-Y490 WeakPolarHBondContact O-CB 3.27Å; F486-Y490 PolarHBondContact O-N 2.84Å; F486-I533 HydrophobicContact CE1-CG2 4.01Å; F486-I533 HydrophobicContact CZ-CG1 4.1Å; F486-I533 HydrophobicContact CZ-CG2 3.84Å; F486-I539 HydrophobicContact CE1-CG2 4Å; F486-I539 HydrophobicContact CE2-CD1 4.27Å; F486-I539 HydrophobicContact CE2-CG2 4.41Å; F486-I539 HydrophobicContact CZ-CB 4.09Å; F486-I539 HydrophobicContact CZ-CD1 4.03Å; F486-I539 HydrophobicContact CZ-CG2 3.62Å; F486-Y540 AromaticContact CD1-CE1 3.99Å; F486-Y540 HydrophobicContact CD1-CE1 3.99Å; F486-Y540 AromaticContact CD1-CZ 3.92Å; F486-Y540 HydrophobicContact CE1-CD1 4.27Å; F486-Y540 HydrophobicContact CE1-CD2 4.49Å; F486-Y540 AromaticContact CE1-CE1 3.84Å; F486-Y540 HydrophobicContact CE1-CE1 3.84Å; F486-Y540 HydrophobicContact CE1-CE2 4.06Å; F486-Y540 AromaticContact CE1-CZ 3.73Å; F486-F585 HydrophobicContact CD2-CZ 4.46Å; F486-F585 HydrophobicContact CE2-CE2 4.17Å; F486-F585 HydrophobicContact CE2-CZ 4.38Å; F486-V587 HydrophobicContact CE2-CG2 4.23Å; F486-Y596 HydrophobicContact CB-CD1 3.88Å; F486-Y596 HydrophobicContact CB-CE1 3.79Å; F486-Y596 AromaticContact CD2-CD1 3.99Å; F486-Y596 HydrophobicContact CD2-CD1 3.99Å; F486-Y596 AromaticContact CD2-CD2 3.89Å; F486-Y596 HydrophobicContact CD2-CD2 3.89Å; F486-Y596 AromaticContact CD2-CE1 3.88Å; F486-Y596 HydrophobicContact CD2-CE1 3.88Å; F486-Y596 AromaticContact CD2-CE2 3.74Å; F486-Y596 HydrophobicContact CD2-CE2 3.74Å; F486-Y596 HydrophobicContact CD2-CG 4.01Å; F486-Y596 AromaticContact CD2-CZ 3.75Å; F486-Y596 HydrophobicContact CE2-CD2 4.41Å; F486-Y596 HydrophobicContact CE2-CE2 4.26Å; F486-Y596 HydrophobicContact CG-CD1 4.44Å; F486-Y596 HydrophobicContact CG-CE1 4.36Å; F486-F601 HydrophobicContact CB-CE1 4.32Å; F486-F601 HydrophobicContact CB-CZ 4.18Å; F486-F601 HydrophobicContact CG-CE1 4.35Å
487	C	89.9	Confident	88.4	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.014	13%	0.131	C	C	.	.	H	α-helix	trans	-60.9	-43.7	174.8	-66	0	0	0	0	112.4	L269 L483 E484 N489 Y490 A491 Y540 F656	L269-C487 HydrophobicContact CD1-CB 4.24Å; L269-C487 HydrophobicContact CD2-CB 4.06Å; L483-C487 WeakPolarHBondContact O-CB 3.32Å; L483-C487 PolarHBondContact O-N 2.53Å; L483-C487 PolarHBondContact O-SG 2.85Å; E484-C487 PolarHBondContact O-N 2.89Å; C487-N489 PolarHBondContact O-N 2.85Å; C487-Y490 PolarHBondContact O-N 2.81Å; C487-A491 PolarHBondContact O-N 2.89Å; C487-Y540 WeakPolarHBondContact CA-OH 3.28Å; C487-Y540 PolarHBondContact SG-OH 3.47Å; C487-F656 HydrophobicContact CB-CD1 3.79Å; C487-F656 HydrophobicContact CB-CE1 3.51Å; C487-F656 HydrophobicContact CB-CZ 4.16Å; C487-F656 VanDerWaalsContact O-CE1 3.23Å; C487-F656 WeakPolarHBondContact O-CE1 3.25Å
488	I	87.7	Confident	88.6	Confident	14 Å²	14	21.6 Å²	21.6	7%	0.072	12%	0.117	C	C	.	.	H	α-helix	trans	-60.6	-46.8	177.7	-75.5	166.5	0	0	0	111.6	L269 Y473 G474 E476 E484 Q485 F486 A491 N492	L269-I488 HydrophobicContact CD2-CG1 3.91Å; Y473-I488 HydrophobicContact CD1-CD1 4.42Å; Y473-I488 HydrophobicContact CD1-CG1 4.01Å; Y473-I488 HydrophobicContact CD2-CB 3.83Å; Y473-I488 HydrophobicContact CD2-CG1 3.67Å; Y473-I488 HydrophobicContact CD2-CG2 3.39Å; Y473-I488 HydrophobicContact CE1-CG1 3.92Å; Y473-I488 VanDerWaalsContact CE2-CA 3.47Å; Y473-I488 HydrophobicContact CE2-CB 3.75Å; Y473-I488 HydrophobicContact CE2-CG1 3.57Å; Y473-I488 HydrophobicContact CE2-CG2 3.79Å; Y473-I488 HydrophobicContact CG-CB 4.46Å; Y473-I488 HydrophobicContact CG-CD1 4.32Å; Y473-I488 HydrophobicContact CG-CG1 3.87Å; Y473-I488 HydrophobicContact CG-CG2 4.05Å; G474-I488 WeakPolarHBondContact O-CG2 3.48Å; E476-I488 HydrophobicContact CB-CG2 4.36Å; E476-I488 HydrophobicContact CG-CG2 4.28Å; E484-I488 WeakPolarHBondContact O-CB 3.23Å; E484-I488 VanDerWaalsContact O-CG1 3.26Å; E484-I488 WeakPolarHBondContact O-CG1 3.21Å; E484-I488 PolarHBondContact O-N 3.33Å; Q485-I488 PolarHBondContact O-N 2.58Å; F486-I488 PolarHBondContact O-N 3.34Å; I488-A491 PolarHBondContact O-N 2.85Å; I488-N492 PolarHBondContact O-N 2.59Å; I488-N492 VanDerWaalsContact O-N 3.08Å; I488-N492 PolarHBondContact O-ND2 3.18Å
489	N	92.6	Very high	88.8	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-70.3	-37.6	-178.5	-70.6	-36	0	0	0	111.5	F475 E476 Q485 F486 C487 N492 E493 Y596	F475-N489 WeakPolarHBondContact CD1-OD1 3.05Å; F475-N489 HydrophobicContact CD2-CB 4.23Å; F475-N489 WeakPolarHBondContact CD2-OD1 3.43Å; F475-N489 WeakPolarHBondContact CE1-OD1 3.15Å; F475-N489 HydrophobicContact CE2-CB 3.68Å; F475-N489 WeakPolarHBondContact CE2-OD1 3.32Å; F475-N489 WeakPolarHBondContact CG-OD1 3.17Å; F475-N489 HydrophobicContact CZ-CB 3.92Å; F475-N489 WeakPolarHBondContact CZ-OD1 3.31Å; E476-N489 PolarHBondContact N-OD1 3.01Å; E476-N489 PolarHBondContact O-ND2 2.81Å; E476-N489 PolarHBondContact O-OD1 3.05Å; Q485-N489 WeakPolarHBondContact O-CB 3.35Å; Q485-N489 PolarHBondContact O-N 3.37Å; Q485-N489 PolarHBondContact O-ND2 2.88Å; F486-N489 PolarHBondContact O-N 2.88Å; C487-N489 PolarHBondContact O-N 2.85Å; N489-N492 PolarHBondContact O-N 2.99Å; N489-E493 WeakPolarHBondContact O-CB 3.45Å; N489-E493 PolarHBondContact O-N 2.92Å; N489-Y596 WeakPolarHBondContact CB-OH 3.47Å; N489-Y596 PolarHBondContact ND2-OH 3.25Å
490	Y	92.5	Very high	89.1	Confident	3 Å²	3	10.3 Å²	10.3	1%	0.012	6%	0.06	C	C	.	.	H	α-helix	trans	-57.8	-47.5	170.3	168.3	-115.7	0	0	0	112.3	F486 C487 N492 E493 V494 L530 I533 E534 Y540 F656 L660	F486-Y490 WeakPolarHBondContact O-CB 3.27Å; F486-Y490 PolarHBondContact O-N 2.84Å; C487-Y490 PolarHBondContact O-N 2.81Å; Y490-N492 VanDerWaalsContact C-N 3.33Å; Y490-N492 PolarHBondContact O-N 3.21Å; Y490-E493 WeakPolarHBondContact O-CB 2.96Å; Y490-E493 PolarHBondContact O-N 3.23Å; Y490-E493 VanDerWaalsContact O-N 3.14Å; Y490-V494 HydrophobicContact CD2-CG2 4.18Å; Y490-V494 HydrophobicContact CE1-CG2 4.44Å; Y490-V494 HydrophobicContact CE2-CG2 3.67Å; Y490-V494 WeakPolarHBondContact O-CG2 3.42Å; Y490-V494 PolarHBondContact O-N 3.24Å; Y490-L530 HydrophobicContact CD2-CD2 4.25Å; Y490-L530 HydrophobicContact CE2-CD2 4.07Å; Y490-I533 HydrophobicContact CD2-CB 4.09Å; Y490-I533 HydrophobicContact CD2-CD1 4.19Å; Y490-I533 HydrophobicContact CD2-CG2 3.43Å; Y490-I533 VanDerWaalsContact CD2-CG2 3.43Å; Y490-I533 HydrophobicContact CE2-CB 4.43Å; Y490-I533 HydrophobicContact CE2-CG2 3.9Å; Y490-I533 HydrophobicContact CG-CG2 3.96Å; Y490-E534 HydrophobicContact CE2-CB 4.03Å; Y490-E534 HydrophobicContact CE2-CG 4.32Å; Y490-E534 PolarHBondContact OH-OE2 3.16Å; Y490-Y540 AromaticContact CD1-CE2 3.58Å; Y490-Y540 HydrophobicContact CD1-CE2 3.58Å; Y490-Y540 HydrophobicContact CD2-CE2 4.27Å; Y490-Y540 AromaticContact CE1-CE2 3.85Å; Y490-Y540 HydrophobicContact CE1-CE2 3.85Å; Y490-Y540 AromaticContact CG-CE2 3.8Å; Y490-Y540 HydrophobicContact CG-CE2 3.8Å; Y490-F656 HydrophobicContact CD1-CD1 4.42Å; Y490-F656 HydrophobicContact CD1-CE1 4.03Å; Y490-L660 HydrophobicContact CD1-CD1 3.55Å; Y490-L660 HydrophobicContact CE1-CD1 3.38Å
491	A	90.2	Very high	89.2	Confident	3 Å²	3	11 Å²	11	3%	0.025	6%	0.055	C	C	.	.	H	α-helix	trans	-59.8	-43.3	176.8	0	0	0	0	0	112.4	Y473 C487 I488 E493 V494 L495 F656 L660	Y473-A491 HydrophobicContact CE2-CB 3.99Å; C487-A491 PolarHBondContact O-N 2.89Å; I488-A491 PolarHBondContact O-N 2.85Å; A491-E493 VanDerWaalsContact C-N 3.31Å; A491-E493 PolarHBondContact O-N 2.87Å; A491-V494 PolarHBondContact O-N 3.48Å; A491-L495 VanDerWaalsContact O-CG 3.26Å; A491-L495 WeakPolarHBondContact O-CG 3.39Å; A491-L495 PolarHBondContact O-N 2.81Å; A491-F656 HydrophobicContact CB-CZ 3.96Å; A491-L660 HydrophobicContact CB-CD1 3.86Å; A491-L660 HydrophobicContact CB-CD2 3.86Å
492	N	91.3	Very high	88.9	Confident	13 Å²	13	12.8 Å²	12.8	7%	0.07	6%	0.063	C	C	.	.	H	α-helix	trans	-65.2	-35.5	176.5	-80.1	-78.5	0	0	0	112	Y473 G474 F475 I488 N489 Y490 L495 Q496	Y473-N492 PolarHBondContact O-ND2 3.28Å; Y473-N492 PolarHBondContact O-OD1 3.28Å; G474-N492 VanDerWaalsContact C-ND2 3.27Å; G474-N492 PolarHBondContact O-ND2 2.7Å; F475-N492 HydrophobicContact CB-CB 4.4Å; F475-N492 HydrophobicContact CD2-CB 3.95Å; F475-N492 PolarHBondContact N-ND2 2.91Å; I488-N492 PolarHBondContact O-N 2.59Å; I488-N492 VanDerWaalsContact O-N 3.08Å; I488-N492 PolarHBondContact O-ND2 3.18Å; N489-N492 PolarHBondContact O-N 2.99Å; Y490-N492 VanDerWaalsContact C-N 3.33Å; Y490-N492 PolarHBondContact O-N 3.21Å; N492-L495 PolarHBondContact O-N 2.6Å; N492-Q496 VanDerWaalsContact O-CB 3.28Å; N492-Q496 WeakPolarHBondContact O-CB 3.31Å; N492-Q496 PolarHBondContact O-N 2.78Å
493	E	92.2	Very high	88.6	Confident	1 Å²	1	12.2 Å²	12.2	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-61.8	-46.3	174.1	-161.1	66.7	-117	0	0	111.3	N489 Y490 A491 L495 Q496 Q497 N526 L530 H589 F590	N489-E493 WeakPolarHBondContact O-CB 3.45Å; N489-E493 PolarHBondContact O-N 2.92Å; Y490-E493 WeakPolarHBondContact O-CB 2.96Å; Y490-E493 PolarHBondContact O-N 3.23Å; Y490-E493 VanDerWaalsContact O-N 3.14Å; A491-E493 VanDerWaalsContact C-N 3.31Å; A491-E493 PolarHBondContact O-N 2.87Å; E493-L495 PolarHBondContact O-N 2.88Å; E493-Q496 PolarHBondContact O-N 3.14Å; E493-Q497 WeakPolarHBondContact O-CB 3.16Å; E493-Q497 PolarHBondContact O-N 3.47Å; E493-N526 VanDerWaalsContact OE1-CB 3.31Å; E493-N526 WeakPolarHBondContact OE1-CB 3.22Å; E493-N526 VanDerWaalsContact OE1-CG 3.23Å; E493-N526 PolarHBondContact OE1-ND2 3.42Å; E493-L530 HydrophobicContact CB-CD2 3.84Å; E493-L530 HydrophobicContact CG-CD2 3.6Å; E493-L530 HydrophobicContact CG-CG 4.15Å; E493-H589 WeakPolarHBondContact OE2-CA 3.22Å; E493-H589 WeakPolarHBondContact OE2-CB 3.45Å; E493-H589 IonicContact OE2-CG 3.01Å; E493-H589 IonicContact OE2-ND1 3.43Å; E493-H589 PolarHBondContact OE2-ND1 3.44Å; E493-F590 WeakPolarHBondContact OE2-CD1 3.43Å; E493-F590 PolarHBondContact OE2-N 3.13Å
494	V	90.6	Very high	88.2	Confident	6 Å²	6	12.9 Å²	12.9	4%	0.036	6%	0.061	C	C	.	.	H	α-helix	trans	-60.7	-44.8	176.4	172.8	0	0	0	0	111.1	Y490 A491 Q497 Q498 L530 K664	Y490-V494 HydrophobicContact CD2-CG2 4.18Å; Y490-V494 HydrophobicContact CE1-CG2 4.44Å; Y490-V494 HydrophobicContact CE2-CG2 3.67Å; Y490-V494 WeakPolarHBondContact O-CG2 3.42Å; Y490-V494 PolarHBondContact O-N 3.24Å; A491-V494 PolarHBondContact O-N 3.48Å; V494-Q497 PolarHBondContact O-N 3.38Å; V494-Q498 PolarHBondContact O-N 2.99Å; V494-Q498 VanDerWaalsContact O-N 3.09Å; V494-L530 HydrophobicContact CB-CD2 4.49Å; V494-L530 HydrophobicContact CG2-CD2 3.63Å; V494-K664 HydrophobicContact CG1-CB 4.44Å; V494-K664 HydrophobicContact CG1-CD 3.96Å; V494-K664 HydrophobicContact CG1-CG 4.36Å
495	L	90.4	Very high	88	Confident	14 Å²	14	18.5 Å²	18.5	7%	0.073	9%	0.085	C	C	.	.	H	α-helix	trans	-69.1	-34.3	179.5	-67.9	169.6	0	0	0	112.6	I180 L470 I472 A491 N492 E493 Q498 F499 L667	I180-L495 HydrophobicContact CD1-CD2 4.36Å; L470-L495 HydrophobicContact CD2-CD2 4.5Å; I472-L495 HydrophobicContact CD1-CD1 3.05Å; I472-L495 HydrophobicContact CD1-CG 4.49Å; A491-L495 VanDerWaalsContact O-CG 3.26Å; A491-L495 WeakPolarHBondContact O-CG 3.39Å; A491-L495 PolarHBondContact O-N 2.81Å; N492-L495 PolarHBondContact O-N 2.6Å; E493-L495 PolarHBondContact O-N 2.88Å; L495-Q498 PolarHBondContact O-N 3.46Å; L495-F499 WeakPolarHBondContact O-CB 3.38Å; L495-F499 PolarHBondContact O-N 3.48Å; L495-L667 HydrophobicContact CD2-CD1 3.71Å
496	Q	89.8	Confident	87.6	Confident	3 Å²	3	22.2 Å²	22.2	1%	0.014	10%	0.099	C	C	.	.	H	α-helix	trans	-68.9	-40.4	175.4	-172.6	61.1	36.1	0	0	111.1	N492 E493 Q498 F499 N500 F590	N492-Q496 VanDerWaalsContact O-CB 3.28Å; N492-Q496 WeakPolarHBondContact O-CB 3.31Å; N492-Q496 PolarHBondContact O-N 2.78Å; E493-Q496 PolarHBondContact O-N 3.14Å; Q496-Q498 VanDerWaalsContact C-N 3.3Å; Q496-Q498 PolarHBondContact O-N 3.41Å; Q496-F499 WeakPolarHBondContact O-CB 3.45Å; Q496-F499 PolarHBondContact O-N 3.28Å; Q496-N500 PolarHBondContact NE2-OD1 2.94Å; Q496-N500 VanDerWaalsContact O-CG 3.27Å; Q496-N500 PolarHBondContact O-N 2.82Å; Q496-N500 PolarHBondContact O-OD1 3.28Å; Q496-F590 HydrophobicContact CB-CD1 3.98Å; Q496-F590 HydrophobicContact CB-CE1 3.88Å; Q496-F590 HydrophobicContact CB-CG 4.38Å; Q496-F590 HydrophobicContact CB-CZ 4.22Å; Q496-F590 HydrophobicContact CG-CD1 3.97Å; Q496-F590 HydrophobicContact CG-CD2 3.9Å; Q496-F590 HydrophobicContact CG-CE1 4.12Å; Q496-F590 HydrophobicContact CG-CE2 4.07Å; Q496-F590 HydrophobicContact CG-CG 3.85Å; Q496-F590 HydrophobicContact CG-CZ 4.16Å
497	Q	89.4	Confident	86.9	Confident	4 Å²	4	23.2 Å²	23.2	2%	0.019	10%	0.104	C	C	.	.	H	α-helix	trans	-59.4	-43.2	173.4	177.1	64	-6.6	0	0	111.4	E493 V494 N500 K501 D525 N526 L530	E493-Q497 WeakPolarHBondContact O-CB 3.16Å; E493-Q497 PolarHBondContact O-N 3.47Å; V494-Q497 PolarHBondContact O-N 3.38Å; Q497-N500 PolarHBondContact O-N 3.24Å; Q497-K501 VanDerWaalsContact NE2-CE 3.32Å; Q497-K501 WeakPolarHBondContact O-CG 3.35Å; Q497-K501 PolarHBondContact O-N 2.8Å; Q497-K501 VanDerWaalsContact O-N 3.11Å; Q497-D525 PolarHBondContact NE2-OD1 3.32Å; Q497-D525 PolarHBondContact OE1-OD1 2.7Å; Q497-N526 HydrophobicContact CB-CB 4.45Å; Q497-L530 HydrophobicContact CB-CD1 3.77Å; Q497-L530 HydrophobicContact CG-CD1 3.78Å
498	Q	88.1	Confident	86.3	Confident	9 Å²	9	25.4 Å²	25.4	4%	0.042	11%	0.114	C	C	.	.	H	α-helix	trans	-67.2	-40.2	175.9	-70.8	-64	9.5	0	0	112.9	V494 L495 Q496 N500 K501 Q502 K664 D668	V494-Q498 PolarHBondContact O-N 2.99Å; V494-Q498 VanDerWaalsContact O-N 3.09Å; L495-Q498 PolarHBondContact O-N 3.46Å; Q496-Q498 VanDerWaalsContact C-N 3.3Å; Q496-Q498 PolarHBondContact O-N 3.41Å; Q498-N500 PolarHBondContact O-N 3.18Å; Q498-K501 PolarHBondContact O-N 3.07Å; Q498-Q502 WeakPolarHBondContact O-CG 3.42Å; Q498-Q502 PolarHBondContact O-N 2.91Å; Q498-K664 HydrophobicContact CG-CG 4.35Å; Q498-K664 VanDerWaalsContact NE2-CE 3.27Å; Q498-K664 VanDerWaalsContact NE2-CG 3.35Å; Q498-D668 VanDerWaalsContact NE2-CG 3.35Å; Q498-D668 PolarHBondContact NE2-OD1 3.1Å; Q498-D668 PolarHBondContact NE2-OD2 2.89Å; Q498-D668 VanDerWaalsContact NE2-OD2 3.15Å; Q498-D668 PolarHBondContact OE1-OD1 3.2Å
499	F	88.5	Confident	86	Confident	1 Å²	1	27.5 Å²	27.5	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-55.8	-51.1	173.2	174.6	-91.6	0	0	0	111.4	I125 V126 L495 Q496 K501 Q502 V503 Y674 T706	I125-F499 HydrophobicContact CD1-CD2 4.48Å; I125-F499 HydrophobicContact CD1-CE2 3.89Å; I125-F499 HydrophobicContact CG1-CE2 4.01Å; I125-F499 HydrophobicContact CG1-CZ 4.45Å; V126-F499 HydrophobicContact CG2-CE2 3.45Å; V126-F499 VanDerWaalsContact CG2-CE2 3.45Å; V126-F499 HydrophobicContact CG2-CZ 3.6Å; L495-F499 WeakPolarHBondContact O-CB 3.38Å; L495-F499 PolarHBondContact O-N 3.48Å; Q496-F499 WeakPolarHBondContact O-CB 3.45Å; Q496-F499 PolarHBondContact O-N 3.28Å; F499-K501 VanDerWaalsContact C-N 3.34Å; F499-K501 PolarHBondContact O-N 2.77Å; F499-Q502 PolarHBondContact O-N 2.9Å; F499-Q502 VanDerWaalsContact O-N 3.16Å; F499-V503 HydrophobicContact CD1-CG2 4.06Å; F499-V503 HydrophobicContact CD2-CG2 4.17Å; F499-V503 HydrophobicContact CE1-CG2 3.57Å; F499-V503 HydrophobicContact CE2-CG2 3.68Å; F499-V503 HydrophobicContact CG-CG2 4.34Å; F499-V503 HydrophobicContact CZ-CG2 3.35Å; F499-V503 WeakPolarHBondContact O-CG2 3.42Å; F499-V503 PolarHBondContact O-N 3.24Å; F499-Y674 VanDerWaalsContact CA-OH 3.31Å; F499-Y674 WeakPolarHBondContact CA-OH 3.23Å; F499-Y674 HydrophobicContact CB-CE1 4.15Å; F499-Y674 AromaticContact CD2-CD1 3.84Å; F499-Y674 HydrophobicContact CD2-CD1 3.84Å; F499-Y674 AromaticContact CD2-CD2 3.55Å; F499-Y674 HydrophobicContact CD2-CD2 3.55Å; F499-Y674 AromaticContact CD2-CE1 3.67Å; F499-Y674 HydrophobicContact CD2-CE1 3.67Å; F499-Y674 AromaticContact CD2-CE2 3.39Å; F499-Y674 HydrophobicContact CD2-CE2 3.39Å; F499-Y674 AromaticContact CD2-CG 3.76Å; F499-Y674 HydrophobicContact CD2-CG 3.76Å; F499-Y674 AromaticContact CD2-CZ 3.43Å; F499-Y674 VanDerWaalsContact CD2-CZ 3.43Å; F499-Y674 HydrophobicContact CE2-CD1 4.42Å; F499-Y674 AromaticContact CE2-CD2 3.67Å; F499-Y674 HydrophobicContact CE2-CD2 3.67Å; F499-Y674 AromaticContact CE2-CE2 3.92Å; F499-Y674 HydrophobicContact CE2-CE2 3.92Å; F499-Y674 AromaticContact CE2-CG 3.93Å; F499-Y674 HydrophobicContact CE2-CG 3.93Å; F499-Y674 HydrophobicContact CG-CE1 4.39Å; F499-Y674 HydrophobicContact CG-CE2 4.44Å; F499-T706 HydrophobicContact CE1-CG2 4.1Å; F499-T706 WeakPolarHBondContact CE1-OG1 3.48Å; F499-T706 HydrophobicContact CZ-CG2 3.61Å; F499-T706 WeakPolarHBondContact CZ-OG1 3.4Å
500	N	85.8	Confident	85.4	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58	-46.2	179.9	-70	-4.7	0	0	0	110.9	Q496 Q497 Q498 Q502 F504 Y523 V524 I709	Q496-N500 PolarHBondContact NE2-OD1 2.94Å; Q496-N500 VanDerWaalsContact O-CG 3.27Å; Q496-N500 PolarHBondContact O-N 2.82Å; Q496-N500 PolarHBondContact O-OD1 3.28Å; Q497-N500 PolarHBondContact O-N 3.24Å; Q498-N500 PolarHBondContact O-N 3.18Å; N500-Q502 PolarHBondContact O-N 3.47Å; N500-F504 WeakPolarHBondContact O-CB 3.47Å; N500-F504 PolarHBondContact O-N 3.32Å; N500-Y523 HydrophobicContact CB-CD2 4.33Å; N500-V524 PolarHBondContact ND2-O 3.17Å; N500-I709 HydrophobicContact CB-CD1 4.3Å
501	K	84.7	Confident	84.9	Confident	76 Å²	76	30 Å²	30	33%	0.33	14%	0.144	S	C	.	.	H	α-helix	trans	-59.1	-43.6	176.3	-74.2	176.5	-179.6	173.7	0	112.7	Q497 Q498 F499 K505	Q497-K501 VanDerWaalsContact NE2-CE 3.32Å; Q497-K501 WeakPolarHBondContact O-CG 3.35Å; Q497-K501 PolarHBondContact O-N 2.8Å; Q497-K501 VanDerWaalsContact O-N 3.11Å; Q498-K501 PolarHBondContact O-N 3.07Å; F499-K501 VanDerWaalsContact C-N 3.34Å; F499-K501 PolarHBondContact O-N 2.77Å; K501-K505 WeakPolarHBondContact O-CB 3.41Å; K501-K505 PolarHBondContact O-N 2.98Å
502	Q	82.8	Confident	84.6	Confident	39 Å²	39	35.4 Å²	35.4	18%	0.182	17%	0.172	C	C	.	.	H	α-helix	trans	-73	-44.6	-178	-70.5	-154.2	10.7	0	0	113.2	Q498 F499 N500 F504 K505 R506 L672	Q498-Q502 WeakPolarHBondContact O-CG 3.42Å; Q498-Q502 PolarHBondContact O-N 2.91Å; F499-Q502 PolarHBondContact O-N 2.9Å; F499-Q502 VanDerWaalsContact O-N 3.16Å; N500-Q502 PolarHBondContact O-N 3.47Å; Q502-F504 VanDerWaalsContact C-N 3.26Å; Q502-F504 PolarHBondContact O-N 2.9Å; Q502-K505 PolarHBondContact O-N 3.47Å; Q502-R506 WeakPolarHBondContact O-CB 3.46Å; Q502-R506 PolarHBondContact O-N 3.11Å; Q502-L672 VanDerWaalsContact CD-CD1 3.48Å; Q502-L672 HydrophobicContact CG-CD1 4.46Å; Q502-L672 VanDerWaalsContact NE2-CG 3.3Å; Q502-L672 VanDerWaalsContact OE1-CB 3.23Å; Q502-L672 VanDerWaalsContact OE1-CG 3.31Å
503	V	81.7	Confident	84.3	Confident	10 Å²	10	42.5 Å²	42.5	6%	0.061	20%	0.202	C	C	.	.	H	α-helix	trans	-55.8	-48	174.7	172.2	0	0	0	0	109.6	I125 F499 R506 E507 I709	I125-V503 HydrophobicContact CD1-CG2 3.44Å; I125-V503 VanDerWaalsContact CD1-CG2 3.44Å; I125-V503 HydrophobicContact CG1-CG2 3.99Å; F499-V503 HydrophobicContact CD1-CG2 4.06Å; F499-V503 HydrophobicContact CD2-CG2 4.17Å; F499-V503 HydrophobicContact CE1-CG2 3.57Å; F499-V503 HydrophobicContact CE2-CG2 3.68Å; F499-V503 HydrophobicContact CG-CG2 4.34Å; F499-V503 HydrophobicContact CZ-CG2 3.35Å; F499-V503 WeakPolarHBondContact O-CG2 3.42Å; F499-V503 PolarHBondContact O-N 3.24Å; V503-R506 PolarHBondContact O-N 2.97Å; V503-E507 WeakPolarHBondContact O-CB 3.25Å; V503-E507 PolarHBondContact O-N 3.33Å; V503-I709 HydrophobicContact CG1-CG2 3.87Å
504	F	79.3	Confident	84	Confident	19 Å²	19	43.2 Å²	43.2	8%	0.083	21%	0.205	C	C	.	.	H	α-helix	trans	-60.4	-49.6	179	-175.9	-119.2	0	0	0	112.2	N500 Q502 R506 E507 Q508 W518 I521 Y523	N500-F504 WeakPolarHBondContact O-CB 3.47Å; N500-F504 PolarHBondContact O-N 3.32Å; Q502-F504 VanDerWaalsContact C-N 3.26Å; Q502-F504 PolarHBondContact O-N 2.9Å; F504-R506 VanDerWaalsContact C-N 3.31Å; F504-R506 PolarHBondContact O-N 2.74Å; F504-E507 PolarHBondContact O-N 2.84Å; F504-Q508 VanDerWaalsContact O-CG 3.31Å; F504-Q508 WeakPolarHBondContact O-CG 3.41Å; F504-Q508 PolarHBondContact O-N 2.82Å; F504-W518 AromaticContact CE2-CH2 3.89Å; F504-W518 HydrophobicContact CE2-CH2 3.89Å; F504-W518 AromaticContact CE2-CZ3 3.85Å; F504-W518 HydrophobicContact CE2-CZ3 3.85Å; F504-W518 AromaticContact CZ-CH2 3.82Å; F504-W518 HydrophobicContact CZ-CH2 3.82Å; F504-W518 HydrophobicContact CZ-CZ3 4.24Å; F504-I521 HydrophobicContact CE2-CB 4.22Å; F504-Y523 HydrophobicContact CD1-CD1 4.34Å; F504-Y523 AromaticContact CD1-CE1 3.95Å; F504-Y523 HydrophobicContact CD1-CE1 3.95Å; F504-Y523 HydrophobicContact CD2-CD1 4.08Å; F504-Y523 HydrophobicContact CE1-CD1 4.31Å; F504-Y523 AromaticContact CE1-CE1 3.88Å; F504-Y523 HydrophobicContact CE1-CE1 3.88Å; F504-Y523 HydrophobicContact CE2-CD1 4.11Å; F504-Y523 HydrophobicContact CE2-CE1 4.49Å; F504-Y523 HydrophobicContact CG-CD1 4.18Å; F504-Y523 HydrophobicContact CG-CE1 4.23Å; F504-Y523 HydrophobicContact CZ-CD1 4.21Å; F504-Y523 HydrophobicContact CZ-CE1 4.17Å
505	K	80.8	Confident	83.6	Confident	156 Å²	156	46.7 Å²	46.7	68%	0.678	23%	0.23	S	C	*	.	H	α-helix	trans	-60.1	-38.5	178	-174.5	176	-179.3	175.4	0	112.6	K501 Q502 A509	K501-K505 WeakPolarHBondContact O-CB 3.41Å; K501-K505 PolarHBondContact O-N 2.98Å; Q502-K505 PolarHBondContact O-N 3.47Å; K505-A509 PolarHBondContact O-N 2.98Å; K505-A509 VanDerWaalsContact O-N 3.11Å
506	R	78.8	Confident	83.1	Confident	93 Å²	93	46.6 Å²	46.6	35%	0.351	23%	0.229	S	C	.	.	H	α-helix	trans	-69.2	-43.4	178.8	-171.4	174.7	178.8	166.9	-1.4	111.4	I125 E165 Q502 V503 F504 Q508 A509 E510	I125-R506 VanDerWaalsContact CG2-NH1 3.3Å; E165-R506 IonicContact OE1-NH1 2.78Å; E165-R506 IonicContact OE1-NH2 2.83Å; E165-R506 PolarHBondContact OE1-NH2 3Å; Q502-R506 WeakPolarHBondContact O-CB 3.46Å; Q502-R506 PolarHBondContact O-N 3.11Å; V503-R506 PolarHBondContact O-N 2.97Å; F504-R506 VanDerWaalsContact C-N 3.31Å; F504-R506 PolarHBondContact O-N 2.74Å; R506-Q508 VanDerWaalsContact C-N 3.33Å; R506-Q508 PolarHBondContact O-N 3.48Å; R506-A509 PolarHBondContact O-N 3.3Å; R506-E510 PolarHBondContact O-N 3.29Å
507	E	77.9	Confident	82.1	Confident	22 Å²	22	54.6 Å²	54.6	10%	0.103	27%	0.267	C	S	.	.	H	α-helix	trans	-62.4	-42.3	177.6	-165	70	-169	0	0	111.1	V503 F504 A509 E510 Y511 R717	V503-E507 WeakPolarHBondContact O-CB 3.25Å; V503-E507 PolarHBondContact O-N 3.33Å; F504-E507 PolarHBondContact O-N 2.84Å; E507-A509 PolarHBondContact O-N 2.92Å; E507-E510 PolarHBondContact O-N 2.94Å; E507-Y511 HydrophobicContact CG-CE1 4.37Å; E507-Y511 HydrophobicContact CG-CE2 3.86Å; E507-Y511 WeakPolarHBondContact CG-OH 3.31Å; E507-Y511 PolarHBondContact O-N 3.38Å; E507-Y511 VanDerWaalsContact O-N 3.13Å; E507-Y511 VanDerWaalsContact OE1-CZ 3.25Å; E507-Y511 PolarHBondContact OE1-OH 2.77Å; E507-R717 IonicContact OE1-CZ 3.85Å; E507-R717 IonicContact OE1-NH2 3.5Å; E507-R717 PolarHBondContact OE1-NH2 2.92Å; E507-R717 IonicContact OE2-NH2 3.26Å; E507-R717 PolarHBondContact OE2-NH2 3.26Å
508	Q	78	Confident	81	Confident	48 Å²	48	57.5 Å²	57.5	22%	0.224	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-45.1	174.5	-72.1	-175.7	2.9	0	0	113	F504 R506 E510 Y511 I512 W518	F504-Q508 VanDerWaalsContact O-CG 3.31Å; F504-Q508 WeakPolarHBondContact O-CG 3.41Å; F504-Q508 PolarHBondContact O-N 2.82Å; R506-Q508 VanDerWaalsContact C-N 3.33Å; R506-Q508 PolarHBondContact O-N 3.48Å; Q508-E510 PolarHBondContact O-N 2.92Å; Q508-Y511 PolarHBondContact O-N 3.22Å; Q508-I512 VanDerWaalsContact O-CG1 3.24Å; Q508-I512 WeakPolarHBondContact O-CG1 3.27Å; Q508-I512 PolarHBondContact O-N 2.98Å; Q508-W518 HydrophobicContact CB-CZ2 4.4Å; Q508-W518 HydrophobicContact CG-CH2 3.38Å; Q508-W518 HydrophobicContact CG-CZ2 3.44Å; Q508-W518 VanDerWaalsContact CG-CZ2 3.44Å; Q508-W518 HydrophobicContact CG-CZ3 3.99Å
509	A	81.8	Confident	79.8	Confident	57 Å²	57	60.4 Å²	60.4	47%	0.471	30%	0.299	S	S	.	.	H	α-helix	trans	-60	-33.9	179.5	0	0	0	0	0	111.6	K505 R506 E507 K513	K505-A509 PolarHBondContact O-N 2.98Å; K505-A509 VanDerWaalsContact O-N 3.11Å; R506-A509 PolarHBondContact O-N 3.3Å; E507-A509 PolarHBondContact O-N 2.92Å; A509-K513 VanDerWaalsContact O-CB 3.32Å; A509-K513 WeakPolarHBondContact O-CB 3.49Å; A509-K513 PolarHBondContact O-N 3.03Å
510	E	78.9	Confident	78.3	Confident	55 Å²	55	68.9 Å²	68.9	26%	0.257	33%	0.332	S	S	.	.	H	α-helix	trans	-70.6	-44.6	176.2	-167.3	170.3	178.6	0	0	112.2	R506 E507 Q508 I512 K513 E514 R717	R506-E510 PolarHBondContact O-N 3.29Å; E507-E510 PolarHBondContact O-N 2.94Å; Q508-E510 PolarHBondContact O-N 2.92Å; E510-I512 VanDerWaalsContact C-N 3.32Å; E510-I512 PolarHBondContact O-N 2.76Å; E510-K513 WeakPolarHBondContact O-CB 3.17Å; E510-K513 PolarHBondContact O-N 3.35Å; E510-E514 WeakPolarHBondContact O-CB 3.32Å; E510-E514 PolarHBondContact O-N 2.97Å; E510-R717 IonicContact OE1-CZ 2.73Å; E510-R717 IonicContact OE1-NE 3.06Å; E510-R717 IonicContact OE1-NH1 2.68Å; E510-R717 PolarHBondContact OE1-NH1 2.84Å; E510-R717 IonicContact OE2-CZ 2.8Å; E510-R717 VanDerWaalsContact OE2-CZ 3.31Å; E510-R717 IonicContact OE2-NH1 2.87Å; E510-R717 PolarHBondContact OE2-NH1 3.14Å; E510-R717 IonicContact OE2-NH2 3.42Å
511	Y	82.1	Confident	77.1	Confident	1 Å²	1	69.3 Å²	69.3	0%	0.004	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-37.3	175.5	-62.7	-20.3	0	0	0	112.7	E507 Q508 E514 S515 I516 W518 I521 G713 F714 F767	E507-Y511 HydrophobicContact CG-CE1 4.37Å; E507-Y511 HydrophobicContact CG-CE2 3.86Å; E507-Y511 WeakPolarHBondContact CG-OH 3.31Å; E507-Y511 PolarHBondContact O-N 3.38Å; E507-Y511 VanDerWaalsContact O-N 3.13Å; E507-Y511 VanDerWaalsContact OE1-CZ 3.25Å; E507-Y511 PolarHBondContact OE1-OH 2.77Å; Q508-Y511 PolarHBondContact O-N 3.22Å; Y511-E514 CarbonylContact O-C 3.42Å; Y511-E514 PolarHBondContact O-N 3.46Å; Y511-S515 PolarHBondContact O-N 3.16Å; Y511-I516 PolarHBondContact O-N 2.87Å; Y511-W518 HydrophobicContact CD2-CB 3.76Å; Y511-W518 AromaticContact CD2-CD2 3.92Å; Y511-W518 HydrophobicContact CD2-CD2 3.92Å; Y511-W518 HydrophobicContact CD2-CE3 4.04Å; Y511-W518 AromaticContact CD2-CG 3.77Å; Y511-W518 HydrophobicContact CD2-CG 3.77Å; Y511-W518 HydrophobicContact CE2-CB 4.33Å; Y511-W518 HydrophobicContact CE2-CE3 4.25Å; Y511-W518 HydrophobicContact CG-CB 4.48Å; Y511-I521 HydrophobicContact CE2-CD1 4.45Å; Y511-G713 WeakPolarHBondContact OH-CA 3.41Å; Y511-F714 HydrophobicContact CE1-CB 4.41Å; Y511-F714 HydrophobicContact CE1-CD2 4.2Å; Y511-F714 HydrophobicContact CE2-CD2 4.37Å; Y511-F714 AromaticContact CZ-CD2 3.92Å; Y511-F714 PolarHBondContact OH-N 2.74Å; Y511-F767 HydrophobicContact CE1-CD1 4.27Å; Y511-F767 HydrophobicContact CE1-CE1 4.38Å
512	I	84.8	Confident	76	Confident	117 Å²	117	73 Å²	73	60%	0.6	36%	0.358	S	S	*	.	H	α-helix	trans	-63.2	-46.8	173.5	-67.6	164.9	0	0	0	110	Q508 E510 E514 S515	Q508-I512 VanDerWaalsContact O-CG1 3.24Å; Q508-I512 WeakPolarHBondContact O-CG1 3.27Å; Q508-I512 PolarHBondContact O-N 2.98Å; E510-I512 VanDerWaalsContact C-N 3.32Å; E510-I512 PolarHBondContact O-N 2.76Å; I512-E514 VanDerWaalsContact C-N 3.26Å; I512-E514 PolarHBondContact O-N 3.33Å; I512-S515 PolarHBondContact O-N 3.29Å
513	K	84	Confident	75.4	Confident	162 Å²	162	73.2 Å²	73.2	70%	0.704	36%	0.357	S	S	*	.	H	α-helix	trans	-59.6	-37.3	177.5	-175.7	-177.8	177.9	-175.3	0	112.3	A509 E510 S515	A509-K513 VanDerWaalsContact O-CB 3.32Å; A509-K513 WeakPolarHBondContact O-CB 3.49Å; A509-K513 PolarHBondContact O-N 3.03Å; E510-K513 WeakPolarHBondContact O-CB 3.17Å; E510-K513 PolarHBondContact O-N 3.35Å; K513-S515 VanDerWaalsContact C-N 3.33Å
514	E	86.3	Confident	74.8	Confident	15 Å²	15	76 Å²	76	7%	0.07	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	0.9	178.5	-69.3	-70.9	156.5	0	0	113.6	E510 Y511 I512 I516 G762 Q763 T764 F767	E510-E514 WeakPolarHBondContact O-CB 3.32Å; E510-E514 PolarHBondContact O-N 2.97Å; Y511-E514 CarbonylContact O-C 3.42Å; Y511-E514 PolarHBondContact O-N 3.46Å; I512-E514 VanDerWaalsContact C-N 3.26Å; I512-E514 PolarHBondContact O-N 3.33Å; E514-I516 VanDerWaalsContact C-N 3.33Å; E514-I516 HydrophobicContact CB-CD1 3.84Å; E514-I516 HydrophobicContact CB-CG1 4.02Å; E514-I516 PolarHBondContact O-N 2.99Å; E514-G762 CarbonylContact O-C 3.54Å; E514-G762 WeakPolarHBondContact O-CA 3.31Å; E514-Q763 PolarHBondContact O-N 2.96Å; E514-Q763 PolarHBondContact OE2-N 2.88Å; E514-T764 PolarHBondContact OE1-OG1 3Å; E514-T764 PolarHBondContact OE2-N 2.88Å; E514-T764 PolarHBondContact OE2-OG1 2.89Å; E514-F767 HydrophobicContact CB-CE2 4.16Å; E514-F767 HydrophobicContact CB-CZ 4.27Å; E514-F767 HydrophobicContact CG-CE2 3.95Å; E514-F767 HydrophobicContact CG-CZ 3.76Å
515	S	82.9	Confident	74.8	Confident	80 Å²	80	78.2 Å²	78.2	56%	0.559	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	43.2	-179.5	-53.9	0	0	0	0	113.8	Y511 I512 K513 Q763	Y511-S515 PolarHBondContact O-N 3.16Å; I512-S515 PolarHBondContact O-N 3.29Å; K513-S515 VanDerWaalsContact C-N 3.33Å; S515-Q763 PolarHBondContact OG-NE2 3.3Å
516	I	79.2	Confident	75.1	Confident	11 Å²	11	71 Å²	71	6%	0.056	36%	0.355	C	S	.	.			trans	-98.1	124.6	179.9	-62.5	172.5	0	0	0	109.8	Y511 E514 W518 F714 R760 F767	Y511-I516 PolarHBondContact O-N 2.87Å; E514-I516 VanDerWaalsContact C-N 3.33Å; E514-I516 HydrophobicContact CB-CD1 3.84Å; E514-I516 HydrophobicContact CB-CG1 4.02Å; E514-I516 PolarHBondContact O-N 2.99Å; I516-W518 PolarHBondContact O-N 2.98Å; I516-F714 HydrophobicContact CG2-CE2 4.45Å; I516-R760 HydrophobicContact CD1-CB 4.4Å; I516-R760 HydrophobicContact CG2-CB 3.67Å; I516-R760 HydrophobicContact CG2-CG 3.69Å; I516-F767 HydrophobicContact CD1-CB 4.23Å; I516-F767 HydrophobicContact CD1-CD1 4.17Å; I516-F767 HydrophobicContact CD1-CD2 3.2Å; I516-F767 HydrophobicContact CD1-CE1 4.37Å; I516-F767 HydrophobicContact CD1-CE2 3.47Å; I516-F767 VanDerWaalsContact CD1-CE2 3.47Å; I516-F767 HydrophobicContact CD1-CG 3.6Å; I516-F767 HydrophobicContact CD1-CZ 4.07Å
517	E	69.6	Low	75.7	Confident	171 Å²	171	68.7 Å²	68.7	80%	0.799	35%	0.349	S	S	*	.			trans	-71.1	116.1	167.6	-168	179.8	-170.4	0	0	109.2
518	W	65	Low	76.3	Confident	66 Å²	66	70.4 Å²	70.4	25%	0.25	36%	0.361	C	S	.	.			trans	-119.6	143.9	-175.1	70.6	-64.9	0	0	0	109.7	F504 Q508 Y511 I516 I521	F504-W518 AromaticContact CE2-CH2 3.89Å; F504-W518 HydrophobicContact CE2-CH2 3.89Å; F504-W518 AromaticContact CE2-CZ3 3.85Å; F504-W518 HydrophobicContact CE2-CZ3 3.85Å; F504-W518 AromaticContact CZ-CH2 3.82Å; F504-W518 HydrophobicContact CZ-CH2 3.82Å; F504-W518 HydrophobicContact CZ-CZ3 4.24Å; Q508-W518 HydrophobicContact CB-CZ2 4.4Å; Q508-W518 HydrophobicContact CG-CH2 3.38Å; Q508-W518 HydrophobicContact CG-CZ2 3.44Å; Q508-W518 VanDerWaalsContact CG-CZ2 3.44Å; Q508-W518 HydrophobicContact CG-CZ3 3.99Å; Y511-W518 HydrophobicContact CD2-CB 3.76Å; Y511-W518 AromaticContact CD2-CD2 3.92Å; Y511-W518 HydrophobicContact CD2-CD2 3.92Å; Y511-W518 HydrophobicContact CD2-CE3 4.04Å; Y511-W518 AromaticContact CD2-CG 3.77Å; Y511-W518 HydrophobicContact CD2-CG 3.77Å; Y511-W518 HydrophobicContact CE2-CB 4.33Å; Y511-W518 HydrophobicContact CE2-CE3 4.25Å; Y511-W518 HydrophobicContact CG-CB 4.48Å; I516-W518 PolarHBondContact O-N 2.98Å; W518-I521 HydrophobicContact CE3-CD1 4.2Å; W518-I521 HydrophobicContact CE3-CG1 4.18Å; W518-I521 HydrophobicContact CZ3-CB 4.46Å; W518-I521 HydrophobicContact CZ3-CD1 4.21Å; W518-I521 HydrophobicContact CZ3-CG1 4.1Å
519	S	63	Low	77.1	Confident	69 Å²	69	68.1 Å²	68.1	48%	0.483	35%	0.351	S	S	.	.			trans	-80.8	149.3	172.1	56.3	0	0	0	0	110.1	I521	S519-I521 PolarHBondContact O-N 3.27Å
520	Y	56.9	Low	77.5	Confident	180 Å²	180	65.6 Å²	65.6	71%	0.706	33%	0.329	S	S	*	.			trans	-52.9	113	172.7	-152.6	-88.9	0	0	0	110	N522	Y520-N522 PolarHBondContact O-N 3.11Å
521	I	61.5	Low	78.1	Confident	9 Å²	9	66.8 Å²	66.8	5%	0.046	34%	0.338	C	S	.	.			trans	-75.4	117.7	174.2	-62.5	169.3	0	0	0	106.5	F504 Y511 W518 S519 Y523 A712	F504-I521 HydrophobicContact CE2-CB 4.22Å; Y511-I521 HydrophobicContact CE2-CD1 4.45Å; W518-I521 HydrophobicContact CE3-CD1 4.2Å; W518-I521 HydrophobicContact CE3-CG1 4.18Å; W518-I521 HydrophobicContact CZ3-CB 4.46Å; W518-I521 HydrophobicContact CZ3-CD1 4.21Å; W518-I521 HydrophobicContact CZ3-CG1 4.1Å; S519-I521 PolarHBondContact O-N 3.27Å; I521-Y523 PolarHBondContact O-N 3.19Å; I521-A712 HydrophobicContact CG2-CB 3.55Å
522	N	61.9	Low	78.6	Confident	154 Å²	154	67.1 Å²	67.1	82%	0.824	34%	0.339	S	S	*	.			trans	-70.9	112.4	170.7	-166	16	0	0	0	107.8	Y520	Y520-N522 PolarHBondContact O-N 3.11Å
523	Y	68.1	Low	79	Confident	42 Å²	42	61.5 Å²	61.5	17%	0.165	31%	0.311	C	S	.	.			trans	-108.4	155.2	172.5	72.3	-93.2	0	0	0	109.4	N500 F504 I521 D525	N500-Y523 HydrophobicContact CB-CD2 4.33Å; F504-Y523 HydrophobicContact CD1-CD1 4.34Å; F504-Y523 AromaticContact CD1-CE1 3.95Å; F504-Y523 HydrophobicContact CD1-CE1 3.95Å; F504-Y523 HydrophobicContact CD2-CD1 4.08Å; F504-Y523 HydrophobicContact CE1-CD1 4.31Å; F504-Y523 AromaticContact CE1-CE1 3.88Å; F504-Y523 HydrophobicContact CE1-CE1 3.88Å; F504-Y523 HydrophobicContact CE2-CD1 4.11Å; F504-Y523 HydrophobicContact CE2-CE1 4.49Å; F504-Y523 HydrophobicContact CG-CD1 4.18Å; F504-Y523 HydrophobicContact CG-CE1 4.23Å; F504-Y523 HydrophobicContact CZ-CD1 4.21Å; F504-Y523 HydrophobicContact CZ-CE1 4.17Å; I521-Y523 PolarHBondContact O-N 3.19Å; Y523-D525 HydrophobicContact CE2-CB 4.05Å; Y523-D525 PolarHBondContact O-N 2.97Å
524	V	69.6	Low	79.2	Confident	69 Å²	69	56.1 Å²	56.1	42%	0.418	29%	0.288	S	S	.	.			trans	-73	104.5	176.8	-174.7	0	0	0	0	108.5	N500 N526 E705	N500-V524 PolarHBondContact ND2-O 3.17Å; V524-N526 PolarHBondContact O-N 3.48Å; V524-N526 PolarHBondContact O-OD1 3.02Å; V524-E705 WeakPolarHBondContact CG2-OE1 3.23Å
525	D	79.9	Confident	79.2	Confident	65 Å²	65	56.2 Å²	56.2	35%	0.348	29%	0.293	S	S	.	.			trans	-78.5	114.9	172.1	-172.2	5.6	0	0	0	108.7	Q497 Y523 Q527 P528	Q497-D525 PolarHBondContact NE2-OD1 3.32Å; Q497-D525 PolarHBondContact OE1-OD1 2.7Å; Y523-D525 HydrophobicContact CE2-CB 4.05Å; Y523-D525 PolarHBondContact O-N 2.97Å; D525-Q527 PolarHBondContact O-N 3.24Å; D525-Q527 VanDerWaalsContact OD1-CB 3.23Å; D525-Q527 WeakPolarHBondContact OD1-CB 3.38Å; D525-Q527 PolarHBondContact OD1-N 2.85Å; D525-P528 VanDerWaalsContact O-CD 3.25Å; D525-P528 WeakPolarHBondContact O-CD 3.5Å
526	N	88	Confident	79.2	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.027	31%	0.305	C	S	.	.			trans	-84.6	-1	-179.5	-63.7	-0.9	0	0	0	111.7	E493 Q497 V524 P528 C529 L530 F590	E493-N526 VanDerWaalsContact OE1-CB 3.31Å; E493-N526 WeakPolarHBondContact OE1-CB 3.22Å; E493-N526 VanDerWaalsContact OE1-CG 3.23Å; E493-N526 PolarHBondContact OE1-ND2 3.42Å; Q497-N526 HydrophobicContact CB-CB 4.45Å; V524-N526 PolarHBondContact O-N 3.48Å; V524-N526 PolarHBondContact O-OD1 3.02Å; N526-P528 VanDerWaalsContact C-CD 3.41Å; N526-P528 VanDerWaalsContact C-N 3.31Å; N526-C529 WeakPolarHBondContact O-CB 3.41Å; N526-C529 PolarHBondContact O-N 3.04Å; N526-L530 PolarHBondContact O-N 3.49Å; N526-L530 VanDerWaalsContact O-N 3.09Å; N526-F590 WeakPolarHBondContact ND2-CB 3.32Å
527	Q	90.5	Very high	79.4	Confident	45 Å²	45	61.4 Å²	61.4	21%	0.21	31%	0.314	C	S	.	.	H	α-helix	trans	-51.6	-41.4	179.6	-163.3	61.1	52.8	0	0	113.5	D525 C529 L530 D531	D525-Q527 PolarHBondContact O-N 3.24Å; D525-Q527 VanDerWaalsContact OD1-CB 3.23Å; D525-Q527 WeakPolarHBondContact OD1-CB 3.38Å; D525-Q527 PolarHBondContact OD1-N 2.85Å; Q527-C529 VanDerWaalsContact C-N 3.28Å; Q527-C529 PolarHBondContact O-N 3.33Å; Q527-L530 CarbonylContact O-C 3.57Å; Q527-L530 WeakPolarHBondContact O-CA 3.49Å; Q527-L530 WeakPolarHBondContact O-CB 3.34Å; Q527-L530 PolarHBondContact O-N 3.45Å; Q527-D531 PolarHBondContact NE2-OD1 2.69Å; Q527-D531 PolarHBondContact O-N 2.83Å
528	P	91.3	Very high	80.3	Confident	57 Å²	57	53.4 Å²	53.4	37%	0.37	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-31.4	177.2	-23.7	35.6	0	0	0	114.1	D525 N526 L532 Y572	D525-P528 VanDerWaalsContact O-CD 3.25Å; D525-P528 WeakPolarHBondContact O-CD 3.5Å; N526-P528 VanDerWaalsContact C-CD 3.41Å; N526-P528 VanDerWaalsContact C-N 3.31Å; P528-L532 PolarHBondContact O-N 2.98Å; P528-Y572 HydrophobicContact CB-CD2 4.17Å; P528-Y572 HydrophobicContact CB-CE2 3.68Å; P528-Y572 HydrophobicContact CG-CE2 4.48Å
529	C	93.1	Very high	81.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-72.7	-37.2	173.6	-172.1	0	0	0	0	111.1	N526 Q527 L532 I533 Y572	N526-C529 WeakPolarHBondContact O-CB 3.41Å; N526-C529 PolarHBondContact O-N 3.04Å; Q527-C529 VanDerWaalsContact C-N 3.28Å; Q527-C529 PolarHBondContact O-N 3.33Å; C529-L532 WeakPolarHBondContact O-CB 3.05Å; C529-I533 WeakPolarHBondContact O-CG1 3.26Å; C529-I533 PolarHBondContact O-N 3.41Å; C529-Y572 HydrophobicContact CB-CD1 3.58Å; C529-Y572 HydrophobicContact CB-CE1 3.89Å; C529-Y572 HydrophobicContact CB-CG 4.09Å
530	L	91.6	Very high	82.9	Confident	4 Å²	4	47 Å²	47	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-46.5	173.4	-66.8	175.9	0	0	0	110.6	Y490 E493 V494 Q497 N526 Q527 L532 I533 E534	Y490-L530 HydrophobicContact CD2-CD2 4.25Å; Y490-L530 HydrophobicContact CE2-CD2 4.07Å; E493-L530 HydrophobicContact CB-CD2 3.84Å; E493-L530 HydrophobicContact CG-CD2 3.6Å; E493-L530 HydrophobicContact CG-CG 4.15Å; V494-L530 HydrophobicContact CB-CD2 4.49Å; V494-L530 HydrophobicContact CG2-CD2 3.63Å; Q497-L530 HydrophobicContact CB-CD1 3.77Å; Q497-L530 HydrophobicContact CG-CD1 3.78Å; N526-L530 PolarHBondContact O-N 3.49Å; N526-L530 VanDerWaalsContact O-N 3.09Å; Q527-L530 CarbonylContact O-C 3.57Å; Q527-L530 WeakPolarHBondContact O-CA 3.49Å; Q527-L530 WeakPolarHBondContact O-CB 3.34Å; Q527-L530 PolarHBondContact O-N 3.45Å; L530-L532 PolarHBondContact O-N 3.03Å; L530-I533 CarbonylContact O-C 3.56Å; L530-I533 WeakPolarHBondContact O-CA 3.36Å; L530-I533 PolarHBondContact O-N 2.76Å; L530-E534 HydrophobicContact CB-CG 4.34Å; L530-E534 VanDerWaalsContact O-CG 3.23Å; L530-E534 WeakPolarHBondContact O-CG 3.49Å; L530-E534 PolarHBondContact O-N 3.25Å
531	D	91.1	Very high	84.3	Confident	81 Å²	81	39.9 Å²	39.9	43%	0.433	22%	0.217	S	C	.	.	H	α-helix	trans	-59.4	-33.9	179.1	-61.5	-17.5	0	0	0	111.9	Q527 I533 G535	Q527-D531 PolarHBondContact NE2-OD1 2.69Å; Q527-D531 PolarHBondContact O-N 2.83Å; D531-I533 VanDerWaalsContact C-N 3.31Å; D531-I533 PolarHBondContact O-N 3.39Å; D531-G535 WeakPolarHBondContact O-CA 3.48Å; D531-G535 PolarHBondContact O-N 2.95Å
532	L	93	Very high	85.7	Confident	7 Å²	7	39.7 Å²	39.7	4%	0.037	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-37.5	170.8	171.9	66	0	0	0	112.5	P528 C529 L530 G538 I539 C567 F573 V587	P528-L532 PolarHBondContact O-N 2.98Å; C529-L532 WeakPolarHBondContact O-CB 3.05Å; L530-L532 PolarHBondContact O-N 3.03Å; L532-G538 CarbonylContact O-C 3.4Å; L532-G538 WeakPolarHBondContact O-CA 3.24Å; L532-I539 HydrophobicContact CD1-CD1 4.35Å; L532-I539 HydrophobicContact CD1-CG1 4.39Å; L532-I539 HydrophobicContact CD2-CD1 4.39Å; L532-I539 HydrophobicContact CG-CD1 4.01Å; L532-I539 HydrophobicContact CG-CG1 4.42Å; L532-I539 PolarHBondContact O-N 3.16Å; L532-C567 HydrophobicContact CD1-CB 4.15Å; L532-F573 HydrophobicContact CD1-CB 4.12Å; L532-F573 HydrophobicContact CD1-CD2 4.42Å; L532-F573 HydrophobicContact CD2-CB 3.84Å; L532-F573 HydrophobicContact CD2-CD2 4.45Å; L532-V587 HydrophobicContact CD2-CG1 4.29Å
533	I	92.4	Very high	87	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-88.2	-54.6	-174.4	-62.1	168.6	0	0	0	111.6	F486 Y490 C529 L530 D531 I539 Y540 V587	F486-I533 HydrophobicContact CE1-CG2 4.01Å; F486-I533 HydrophobicContact CZ-CG1 4.1Å; F486-I533 HydrophobicContact CZ-CG2 3.84Å; Y490-I533 HydrophobicContact CD2-CB 4.09Å; Y490-I533 HydrophobicContact CD2-CD1 4.19Å; Y490-I533 HydrophobicContact CD2-CG2 3.43Å; Y490-I533 VanDerWaalsContact CD2-CG2 3.43Å; Y490-I533 HydrophobicContact CE2-CB 4.43Å; Y490-I533 HydrophobicContact CE2-CG2 3.9Å; Y490-I533 HydrophobicContact CG-CG2 3.96Å; C529-I533 WeakPolarHBondContact O-CG1 3.26Å; C529-I533 PolarHBondContact O-N 3.41Å; L530-I533 CarbonylContact O-C 3.56Å; L530-I533 WeakPolarHBondContact O-CA 3.36Å; L530-I533 PolarHBondContact O-N 2.76Å; D531-I533 VanDerWaalsContact C-N 3.31Å; D531-I533 PolarHBondContact O-N 3.39Å; I533-I539 HydrophobicContact CG1-CD1 4.45Å; I533-I539 PolarHBondContact O-N 2.83Å; I533-Y540 HydrophobicContact CG2-CD2 3.45Å; I533-Y540 VanDerWaalsContact CG2-CD2 3.45Å; I533-Y540 HydrophobicContact CG2-CE2 3.46Å; I533-Y540 VanDerWaalsContact CG2-CE2 3.46Å; I533-Y540 HydrophobicContact CG2-CG 4.45Å; I533-Y540 WeakPolarHBondContact O-CB 3.35Å; I533-Y540 PolarHBondContact O-N 3.4Å; I533-Y540 VanDerWaalsContact O-N 3.1Å; I533-V587 HydrophobicContact CD1-CG1 4.49Å
534	E	88.8	Confident	87.8	Confident	48 Å²	48	30.8 Å²	30.8	22%	0.224	17%	0.171	C	C	.	.	H	α-helix	trans	-100.6	-13.5	-173.8	65.7	167.1	-179.9	0	0	114.7	Y490 L530	Y490-E534 HydrophobicContact CE2-CB 4.03Å; Y490-E534 HydrophobicContact CE2-CG 4.32Å; Y490-E534 PolarHBondContact OH-OE2 3.16Å; L530-E534 HydrophobicContact CB-CG 4.34Å; L530-E534 VanDerWaalsContact O-CG 3.23Å; L530-E534 WeakPolarHBondContact O-CG 3.49Å; L530-E534 PolarHBondContact O-N 3.25Å
535	G	85.6	Confident	88.6	Confident	18 Å²	18	31.1 Å²	31.1	19%	0.186	17%	0.168	C	C	.	.	S	Bend	trans	-64.9	167.2	-176.9	0	0	0	0	0	112.9	D531 L537 G538	D531-G535 WeakPolarHBondContact O-CA 3.48Å; D531-G535 PolarHBondContact O-N 2.95Å; G535-L537 PolarHBondContact O-N 3.5Å; G535-L537 VanDerWaalsContact O-N 3.15Å; G535-G538 WeakPolarHBondContact O-CA 3.2Å; G535-G538 PolarHBondContact O-N 2.91Å
536	N	84.1	Confident	88.9	Confident	149 Å²	149	28.5 Å²	28.5	80%	0.797	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	122	176.4	-72.7	-17.7	0	0	0	109.7	G538 D541	N536-G538 PolarHBondContact O-N 3.22Å; N536-D541 WeakPolarHBondContact CA-OD2 3.25Å
537	L	83.4	Confident	88.7	Confident	50 Å²	50	28.7 Å²	28.7	26%	0.262	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	18.9	-174.4	-51	168.2	0	0	0	114.4	G535 D541 R564	G535-L537 PolarHBondContact O-N 3.5Å; G535-L537 VanDerWaalsContact O-N 3.15Å; L537-D541 PolarHBondContact N-OD2 2.92Å; L537-D541 VanDerWaalsContact N-OD2 3.11Å; L537-R564 VanDerWaalsContact CD1-NH1 3.29Å
538	G	88.2	Confident	88.1	Confident	3 Å²	3	32.5 Å²	32.5	3%	0.031	17%	0.172	C	C	.	.	S	Bend	trans	-70.2	-178.6	167.7	0	0	0	0	0	112.5	L532 G535 N536 Y540 D541 L542	L532-G538 CarbonylContact O-C 3.4Å; L532-G538 WeakPolarHBondContact O-CA 3.24Å; G535-G538 WeakPolarHBondContact O-CA 3.2Å; G535-G538 PolarHBondContact O-N 2.91Å; N536-G538 PolarHBondContact O-N 3.22Å; G538-Y540 VanDerWaalsContact C-N 3.29Å; G538-Y540 PolarHBondContact O-N 2.99Å; G538-D541 PolarHBondContact O-N 3.22Å; G538-L542 WeakPolarHBondContact O-CG 3.47Å; G538-L542 PolarHBondContact O-N 3.49Å
539	I	91.9	Very high	87.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-53.7	-44.6	-173.3	-62.6	172.8	0	0	0	111.8	F486 L532 I533 L543 W557 M561 F573 F585 V587	F486-I539 HydrophobicContact CE1-CG2 4Å; F486-I539 HydrophobicContact CE2-CD1 4.27Å; F486-I539 HydrophobicContact CE2-CG2 4.41Å; F486-I539 HydrophobicContact CZ-CB 4.09Å; F486-I539 HydrophobicContact CZ-CD1 4.03Å; F486-I539 HydrophobicContact CZ-CG2 3.62Å; L532-I539 HydrophobicContact CD1-CD1 4.35Å; L532-I539 HydrophobicContact CD1-CG1 4.39Å; L532-I539 HydrophobicContact CD2-CD1 4.39Å; L532-I539 HydrophobicContact CG-CD1 4.01Å; L532-I539 HydrophobicContact CG-CG1 4.42Å; L532-I539 PolarHBondContact O-N 3.16Å; I533-I539 HydrophobicContact CG1-CD1 4.45Å; I533-I539 PolarHBondContact O-N 2.83Å; I539-L543 WeakPolarHBondContact O-CB 3.28Å; I539-L543 PolarHBondContact O-N 3.19Å; I539-W557 HydrophobicContact CG2-CH2 4.41Å; I539-W557 HydrophobicContact CG2-CZ2 3.79Å; I539-M561 HydrophobicContact CG1-SD 4.13Å; I539-M561 HydrophobicContact CG2-SD 4.08Å; I539-F573 HydrophobicContact CD1-CD2 4.32Å; I539-F573 HydrophobicContact CD1-CE2 4.47Å; I539-F585 HydrophobicContact CD1-CE2 4.2Å; I539-V587 HydrophobicContact CD1-CG2 4.02Å
540	Y	89.2	Confident	86.5	Confident	1 Å²	1	39.2 Å²	39.2	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-69	-44.9	179.5	-83.2	-50.2	0	0	0	113.5	F486 C487 Y490 I533 G538 L542 L543 D544 A653	F486-Y540 AromaticContact CD1-CE1 3.99Å; F486-Y540 HydrophobicContact CD1-CE1 3.99Å; F486-Y540 AromaticContact CD1-CZ 3.92Å; F486-Y540 HydrophobicContact CE1-CD1 4.27Å; F486-Y540 HydrophobicContact CE1-CD2 4.49Å; F486-Y540 AromaticContact CE1-CE1 3.84Å; F486-Y540 HydrophobicContact CE1-CE1 3.84Å; F486-Y540 HydrophobicContact CE1-CE2 4.06Å; F486-Y540 AromaticContact CE1-CZ 3.73Å; C487-Y540 WeakPolarHBondContact CA-OH 3.28Å; C487-Y540 PolarHBondContact SG-OH 3.47Å; Y490-Y540 AromaticContact CD1-CE2 3.58Å; Y490-Y540 HydrophobicContact CD1-CE2 3.58Å; Y490-Y540 HydrophobicContact CD2-CE2 4.27Å; Y490-Y540 AromaticContact CE1-CE2 3.85Å; Y490-Y540 HydrophobicContact CE1-CE2 3.85Å; Y490-Y540 AromaticContact CG-CE2 3.8Å; Y490-Y540 HydrophobicContact CG-CE2 3.8Å; I533-Y540 HydrophobicContact CG2-CD2 3.45Å; I533-Y540 VanDerWaalsContact CG2-CD2 3.45Å; I533-Y540 HydrophobicContact CG2-CE2 3.46Å; I533-Y540 VanDerWaalsContact CG2-CE2 3.46Å; I533-Y540 HydrophobicContact CG2-CG 4.45Å; I533-Y540 WeakPolarHBondContact O-CB 3.35Å; I533-Y540 PolarHBondContact O-N 3.4Å; I533-Y540 VanDerWaalsContact O-N 3.1Å; G538-Y540 VanDerWaalsContact C-N 3.29Å; G538-Y540 PolarHBondContact O-N 2.99Å; Y540-L542 VanDerWaalsContact C-N 3.26Å; Y540-L542 PolarHBondContact O-N 2.94Å; Y540-L543 PolarHBondContact O-N 3.03Å; Y540-L543 VanDerWaalsContact O-N 3.16Å; Y540-D544 WeakPolarHBondContact O-CB 3.35Å; Y540-D544 PolarHBondContact O-N 3.27Å; Y540-A653 HydrophobicContact CD1-CB 3.37Å; Y540-A653 HydrophobicContact CE1-CB 3.5Å; Y540-A653 VanDerWaalsContact CE1-CB 3.5Å; Y540-A653 HydrophobicContact CG-CB 4.36Å
541	D	87.9	Confident	85.6	Confident	30 Å²	30	43.9 Å²	43.9	16%	0.16	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-38.9	179.6	-88.5	10.4	0	0	0	111.2	N536 L537 G538 Q545 R657	N536-D541 WeakPolarHBondContact CA-OD2 3.25Å; L537-D541 PolarHBondContact N-OD2 2.92Å; L537-D541 VanDerWaalsContact N-OD2 3.11Å; G538-D541 PolarHBondContact O-N 3.22Å; D541-Q545 WeakPolarHBondContact O-CB 3.46Å; D541-Q545 VanDerWaalsContact O-CG 3.22Å; D541-Q545 WeakPolarHBondContact O-CG 3.35Å; D541-Q545 PolarHBondContact O-N 3.25Å; D541-R657 IonicContact OD1-CZ 3.99Å; D541-R657 IonicContact OD1-NH1 2.85Å; D541-R657 PolarHBondContact OD1-NH1 2.75Å; D541-R657 IonicContact OD1-NH2 3.31Å
542	L	90.1	Very high	84.9	Confident	6 Å²	6	41.9 Å²	41.9	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-69.3	-39.5	175.9	-65.2	178.4	0	0	0	112.1	G538 Y540 D544 Q545 E546 V560 M561	G538-L542 WeakPolarHBondContact O-CG 3.47Å; G538-L542 PolarHBondContact O-N 3.49Å; Y540-L542 VanDerWaalsContact C-N 3.26Å; Y540-L542 PolarHBondContact O-N 2.94Å; L542-D544 VanDerWaalsContact C-N 3.33Å; L542-Q545 PolarHBondContact O-N 3.33Å; L542-E546 PolarHBondContact O-N 3.45Å; L542-V560 HydrophobicContact CD2-CG1 4.18Å; L542-M561 HydrophobicContact CD1-CB 4.21Å; L542-M561 HydrophobicContact CD1-CG 4.46Å
543	L	89.8	Confident	84.5	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-63.9	-42.2	176.1	-176.4	64.4	0	0	0	110.8	L483 I539 Y540 Q545 E546 C547 W557 F601 T602 N605	L483-L543 HydrophobicContact CD1-CD2 3.88Å; I539-L543 WeakPolarHBondContact O-CB 3.28Å; I539-L543 PolarHBondContact O-N 3.19Å; Y540-L543 PolarHBondContact O-N 3.03Å; Y540-L543 VanDerWaalsContact O-N 3.16Å; L543-Q545 VanDerWaalsContact C-N 3.33Å; L543-Q545 PolarHBondContact O-N 2.82Å; L543-E546 PolarHBondContact O-N 3.21Å; L543-C547 PolarHBondContact O-N 3.33Å; L543-C547 PolarHBondContact O-SG 3.02Å; L543-W557 VanDerWaalsContact CA-NE1 3.28Å; L543-W557 HydrophobicContact CB-CZ2 3.94Å; L543-W557 HydrophobicContact CD1-CD2 3.73Å; L543-W557 HydrophobicContact CD1-CE3 4.03Å; L543-W557 HydrophobicContact CD1-CG 4.19Å; L543-W557 HydrophobicContact CD1-CH2 4.26Å; L543-W557 HydrophobicContact CD1-CZ2 3.94Å; L543-W557 HydrophobicContact CD1-CZ3 4.28Å; L543-W557 HydrophobicContact CG-CZ2 4.34Å; L543-W557 VanDerWaalsContact N-NE1 3.13Å; L543-F601 HydrophobicContact CD1-CB 4.21Å; L543-F601 HydrophobicContact CD2-CD1 4.24Å; L543-T602 HydrophobicContact CD1-CG2 4.09Å; L543-N605 HydrophobicContact CD2-CB 3.97Å; L543-N605 HydrophobicContact CG-CB 4.19Å; L543-N605 WeakPolarHBondContact CG-ND2 3.29Å
544	D	85	Confident	84.3	Confident	7 Å²	7	45.5 Å²	45.5	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-68.7	-31.8	177.4	-73.9	-12.6	0	0	0	112.7	Y540 L542 K548 N605 T651	Y540-D544 WeakPolarHBondContact O-CB 3.35Å; Y540-D544 PolarHBondContact O-N 3.27Å; L542-D544 VanDerWaalsContact C-N 3.33Å; D544-K548 WeakPolarHBondContact O-CD 3.49Å; D544-K548 WeakPolarHBondContact O-CE 3.35Å; D544-K548 VanDerWaalsContact O-CG 3.23Å; D544-K548 WeakPolarHBondContact O-CG 3.43Å; D544-K548 PolarHBondContact O-N 2.69Å; D544-N605 PolarHBondContact OD1-ND2 3.13Å; D544-T651 HydrophobicContact CB-CG2 4.47Å; D544-T651 VanDerWaalsContact OD1-CB 3.24Å; D544-T651 WeakPolarHBondContact OD1-CB 3.47Å; D544-T651 WeakPolarHBondContact OD1-CG2 3.26Å; D544-T651 PolarHBondContact OD1-OG1 2.78Å; D544-T651 PolarHBondContact OD2-OG1 2.98Å
545	Q	85.3	Confident	84.2	Confident	76 Å²	76	44.5 Å²	44.5	36%	0.355	26%	0.261	S	S	.	.	H	α-helix	trans	-68	-44.4	172.1	-76.8	172.1	41.3	0	0	111.8	D541 L542 L543 C547 K548	D541-Q545 WeakPolarHBondContact O-CB 3.46Å; D541-Q545 VanDerWaalsContact O-CG 3.22Å; D541-Q545 WeakPolarHBondContact O-CG 3.35Å; D541-Q545 PolarHBondContact O-N 3.25Å; L542-Q545 PolarHBondContact O-N 3.33Å; L543-Q545 VanDerWaalsContact C-N 3.33Å; L543-Q545 PolarHBondContact O-N 2.82Å; Q545-C547 VanDerWaalsContact C-N 3.34Å; Q545-C547 PolarHBondContact O-N 3.17Å; Q545-K548 WeakPolarHBondContact O-CB 3.34Å; Q545-K548 PolarHBondContact O-N 3.4Å; Q545-K548 VanDerWaalsContact O-N 3.1Å
546	E	87.7	Confident	84.4	Confident	10 Å²	10	46.6 Å²	46.6	5%	0.047	27%	0.268	C	S	.	.	H	α-helix	trans	-60	-46.6	175.8	-174.5	70.7	-165.9	0	0	110.6	L542 L543 K548 L549 P552 S553 N556 W557 T602	L542-E546 PolarHBondContact O-N 3.45Å; L543-E546 PolarHBondContact O-N 3.21Å; E546-K548 PolarHBondContact O-N 3.48Å; E546-L549 VanDerWaalsContact O-CB 3.28Å; E546-L549 WeakPolarHBondContact O-CB 3.34Å; E546-L549 WeakPolarHBondContact O-CG 3.31Å; E546-L549 PolarHBondContact O-N 2.87Å; E546-L549 VanDerWaalsContact OE2-CD1 3.31Å; E546-L549 WeakPolarHBondContact OE2-CD1 3.36Å; E546-P552 HydrophobicContact CG-CB 4.16Å; E546-P552 WeakPolarHBondContact O-CB 3.45Å; E546-S553 PolarHBondContact OE1-N 2.88Å; E546-N556 WeakPolarHBondContact OE1-CB 3.37Å; E546-N556 PolarHBondContact OE1-ND2 2.81Å; E546-N556 PolarHBondContact OE2-ND2 3.27Å; E546-W557 HydrophobicContact CB-CB 3.97Å; E546-W557 HydrophobicContact CB-CG 4.37Å; E546-W557 HydrophobicContact CG-CB 3.82Å; E546-T602 HydrophobicContact CB-CG2 4.44Å; E546-T602 HydrophobicContact CG-CG2 3.82Å
547	C	82.6	Confident	84.7	Confident	10 Å²	10	39.6 Å²	39.6	7%	0.068	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-11.9	178.3	-70.1	0	0	0	0	114.2	L543 Q545 N605 L606 T651	L543-C547 PolarHBondContact O-N 3.33Å; L543-C547 PolarHBondContact O-SG 3.02Å; Q545-C547 VanDerWaalsContact C-N 3.34Å; Q545-C547 PolarHBondContact O-N 3.17Å; C547-N605 PolarHBondContact SG-ND2 3.2Å; C547-N605 VanDerWaalsContact SG-ND2 3.43Å; C547-L606 HydrophobicContact CB-CD2 3.77Å; C547-L606 HydrophobicContact CB-CG 4.3Å; C547-L606 WeakPolarHBondContact O-CD2 3.18Å; C547-T651 HydrophobicContact CB-CG2 3.94Å
548	K	78.7	Confident	85.1	Confident	124 Å²	124	38.4 Å²	38.4	54%	0.539	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-13.8	173	-70.6	162.5	-169.1	168.4	0	112.9	D544 Q545 E546	D544-K548 WeakPolarHBondContact O-CD 3.49Å; D544-K548 WeakPolarHBondContact O-CE 3.35Å; D544-K548 VanDerWaalsContact O-CG 3.23Å; D544-K548 WeakPolarHBondContact O-CG 3.43Å; D544-K548 PolarHBondContact O-N 2.69Å; Q545-K548 WeakPolarHBondContact O-CB 3.34Å; Q545-K548 PolarHBondContact O-N 3.4Å; Q545-K548 VanDerWaalsContact O-N 3.1Å; E546-K548 PolarHBondContact O-N 3.48Å
549	L	80.3	Confident	85	Confident	78 Å²	78	43.6 Å²	43.6	41%	0.408	25%	0.249	S	C	.	.	S	Bend	trans	-68.4	154.7	176.5	-60.4	-178.6	0	0	0	111.2	E546 S551	E546-L549 VanDerWaalsContact O-CB 3.28Å; E546-L549 WeakPolarHBondContact O-CB 3.34Å; E546-L549 WeakPolarHBondContact O-CG 3.31Å; E546-L549 PolarHBondContact O-N 2.87Å; E546-L549 VanDerWaalsContact OE2-CD1 3.31Å; E546-L549 WeakPolarHBondContact OE2-CD1 3.36Å; L549-S551 PolarHBondContact O-N 3.46Å
550	P	69	Low	84.8	Confident	121 Å²	121	46 Å²	46	79%	0.786	26%	0.263	S	S	*	.	S	Bend	trans	-60.3	-35.6	178.2	-23.3	33.4	0	0	0	113.4
551	S	74	Confident	84.8	Confident	102 Å²	102	45.9 Å²	45.9	71%	0.713	26%	0.263	S	S	*	.	S	Bend	trans	-130.9	79.5	179.4	-63.7	0	0	0	0	108.7	L549	L549-S551 PolarHBondContact O-N 3.46Å
552	P	76.3	Confident	84.7	Confident	38 Å²	38	46.4 Å²	46.4	25%	0.247	27%	0.267	C	S	.	.			trans	-64	139.3	178.1	26.4	-31.9	0	0	0	109.9	E546 L606	E546-P552 HydrophobicContact CG-CB 4.16Å; E546-P552 WeakPolarHBondContact O-CB 3.45Å; P552-L606 HydrophobicContact CB-CD1 4.38Å; P552-L606 HydrophobicContact CG-CD1 3.49Å; P552-L606 VanDerWaalsContact CG-CD1 3.49Å; P552-L606 HydrophobicContact CG-CD2 4.34Å; P552-L606 HydrophobicContact CG-CG 4.43Å
553	S	84.7	Confident	84.5	Confident	50 Å²	50	49 Å²	49	35%	0.35	30%	0.296	S	S	.	.			trans	-137.8	135.7	176.3	69.2	0	0	0	0	112	E546 G555 N556 W557	E546-S553 PolarHBondContact OE1-N 2.88Å; S553-G555 PolarHBondContact O-N 3.38Å; S553-N556 PolarHBondContact O-N 2.95Å; S553-N556 WeakPolarHBondContact OG-CB 3.34Å; S553-N556 PolarHBondContact OG-N 3.02Å; S553-W557 PolarHBondContact O-N 3.32Å; S553-W557 VanDerWaalsContact O-N 3.07Å
554	D	86.9	Confident	84.2	Confident	34 Å²	34	52.7 Å²	52.7	18%	0.182	31%	0.31	C	S	.	.	H	α-helix	trans	-55.4	-40.5	176	-74.3	-19.1	0	0	0	112.1	F558 V598 G600 F601 T602	D554-F558 WeakPolarHBondContact O-CB 3.35Å; D554-F558 PolarHBondContact O-N 3.44Å; D554-V598 HydrophobicContact CB-CG1 3.9Å; D554-G600 WeakPolarHBondContact OD2-CA 3.43Å; D554-G600 PolarHBondContact OD2-N 3.08Å; D554-F601 PolarHBondContact OD1-N 3.18Å; D554-T602 VanDerWaalsContact OD1-CB 3.24Å; D554-T602 WeakPolarHBondContact OD1-CB 3.47Å; D554-T602 VanDerWaalsContact OD1-CG2 3.28Å; D554-T602 WeakPolarHBondContact OD1-CG2 3.33Å; D554-T602 PolarHBondContact OD1-N 3.36Å; D554-T602 PolarHBondContact OD1-OG1 3.02Å
555	G	88.3	Confident	84.1	Confident	27 Å²	27	56.6 Å²	56.6	28%	0.278	33%	0.33	S	S	.	.	H	α-helix	trans	-64.2	-43.8	178.6	0	0	0	0	0	113.2	S553 F558 I559	S553-G555 PolarHBondContact O-N 3.38Å; G555-F558 PolarHBondContact O-N 3.44Å; G555-I559 VanDerWaalsContact O-CG1 3.28Å; G555-I559 WeakPolarHBondContact O-CG1 3.15Å; G555-I559 PolarHBondContact O-N 3.09Å
556	N	89	Confident	83.9	Confident	62 Å²	62	57.8 Å²	57.8	33%	0.332	34%	0.336	S	S	.	.	H	α-helix	trans	-67.9	-44	178.2	-174.2	54.8	0	0	0	111.3	E546 S553 F558 I559 V560	E546-N556 WeakPolarHBondContact OE1-CB 3.37Å; E546-N556 PolarHBondContact OE1-ND2 2.81Å; E546-N556 PolarHBondContact OE2-ND2 3.27Å; S553-N556 PolarHBondContact O-N 2.95Å; S553-N556 WeakPolarHBondContact OG-CB 3.34Å; S553-N556 PolarHBondContact OG-N 3.02Å; N556-F558 VanDerWaalsContact C-N 3.3Å; N556-F558 PolarHBondContact O-N 3.46Å; N556-I559 PolarHBondContact O-N 3.47Å; N556-I559 VanDerWaalsContact O-N 3.17Å; N556-V560 WeakPolarHBondContact O-CG2 3.24Å; N556-V560 PolarHBondContact O-N 3.13Å
557	W	91.2	Very high	83.7	Confident	1 Å²	1	57.3 Å²	57.3	0%	0.004	33%	0.334	C	S	.	.	H	α-helix	trans	-56.6	-45.3	174.6	173.2	60.8	0	0	0	112	I539 L543 E546 S553 I559 V560 M561 F585 V598 F601 T602	I539-W557 HydrophobicContact CG2-CH2 4.41Å; I539-W557 HydrophobicContact CG2-CZ2 3.79Å; L543-W557 VanDerWaalsContact CA-NE1 3.28Å; L543-W557 HydrophobicContact CB-CZ2 3.94Å; L543-W557 HydrophobicContact CD1-CD2 3.73Å; L543-W557 HydrophobicContact CD1-CE3 4.03Å; L543-W557 HydrophobicContact CD1-CG 4.19Å; L543-W557 HydrophobicContact CD1-CH2 4.26Å; L543-W557 HydrophobicContact CD1-CZ2 3.94Å; L543-W557 HydrophobicContact CD1-CZ3 4.28Å; L543-W557 HydrophobicContact CG-CZ2 4.34Å; L543-W557 VanDerWaalsContact N-NE1 3.13Å; E546-W557 HydrophobicContact CB-CB 3.97Å; E546-W557 HydrophobicContact CB-CG 4.37Å; E546-W557 HydrophobicContact CG-CB 3.82Å; S553-W557 PolarHBondContact O-N 3.32Å; S553-W557 VanDerWaalsContact O-N 3.07Å; W557-I559 PolarHBondContact O-N 3.23Å; W557-V560 PolarHBondContact O-N 3.4Å; W557-M561 HydrophobicContact CH2-CE 4.43Å; W557-M561 HydrophobicContact CH2-SD 4.31Å; W557-M561 HydrophobicContact CZ2-SD 3.91Å; W557-M561 VanDerWaalsContact O-CB 3.25Å; W557-M561 WeakPolarHBondContact O-CB 3.31Å; W557-M561 PolarHBondContact O-N 3.48Å; W557-F585 AromaticContact CH2-CE1 3.96Å; W557-F585 HydrophobicContact CH2-CE1 3.96Å; W557-F585 HydrophobicContact CH2-CZ 4.21Å; W557-F585 HydrophobicContact CZ3-CE1 4.33Å; W557-V598 HydrophobicContact CE3-CG1 3.81Å; W557-V598 HydrophobicContact CZ3-CG1 3.83Å; W557-F601 HydrophobicContact CE3-CB 4.13Å; W557-F601 HydrophobicContact CH2-CB 4.28Å; W557-F601 AromaticContact CH2-CD1 3.29Å; W557-F601 HydrophobicContact CH2-CD1 3.29Å; W557-F601 AromaticContact CH2-CE1 3.77Å; W557-F601 HydrophobicContact CH2-CE1 3.77Å; W557-F601 AromaticContact CH2-CG 3.96Å; W557-F601 HydrophobicContact CH2-CG 3.96Å; W557-F601 HydrophobicContact CZ2-CD1 4.31Å; W557-F601 HydrophobicContact CZ3-CB 3.61Å; W557-F601 AromaticContact CZ3-CD1 3.48Å; W557-F601 HydrophobicContact CZ3-CD1 3.48Å; W557-F601 VanDerWaalsContact CZ3-CD1 3.48Å; W557-F601 HydrophobicContact CZ3-CE1 4.25Å; W557-F601 AromaticContact CZ3-CG 3.62Å; W557-F601 HydrophobicContact CZ3-CG 3.62Å; W557-T602 HydrophobicContact CB-CG2 4.37Å
558	F	90.4	Very high	83.7	Confident	26 Å²	26	59.4 Å²	59.4	11%	0.114	35%	0.349	C	S	.	.	H	α-helix	trans	-60.5	-43.1	176.7	179.6	-100.7	0	0	0	112.5	D554 G555 N556 M561 T562 V575 L583 S584 F585 V598	D554-F558 WeakPolarHBondContact O-CB 3.35Å; D554-F558 PolarHBondContact O-N 3.44Å; G555-F558 PolarHBondContact O-N 3.44Å; N556-F558 VanDerWaalsContact C-N 3.3Å; N556-F558 PolarHBondContact O-N 3.46Å; F558-M561 HydrophobicContact CD2-CE 3.87Å; F558-M561 HydrophobicContact CE2-CE 4.47Å; F558-M561 PolarHBondContact O-N 2.86Å; F558-T562 HydrophobicContact CD1-CG2 4.43Å; F558-T562 HydrophobicContact CD2-CG2 4.13Å; F558-T562 HydrophobicContact CE1-CG2 4.11Å; F558-T562 HydrophobicContact CE2-CG2 3.8Å; F558-T562 HydrophobicContact CG-CG2 4.45Å; F558-T562 HydrophobicContact CZ-CG2 3.8Å; F558-T562 WeakPolarHBondContact O-CB 3.49Å; F558-T562 VanDerWaalsContact O-CG2 3.3Å; F558-T562 WeakPolarHBondContact O-CG2 3.28Å; F558-T562 PolarHBondContact O-N 3.23Å; F558-T562 PolarHBondContact O-OG1 2.91Å; F558-V575 HydrophobicContact CE2-CG1 4.45Å; F558-V575 HydrophobicContact CZ-CG1 3.81Å; F558-L583 HydrophobicContact CB-CD1 4.29Å; F558-L583 HydrophobicContact CD1-CB 4.49Å; F558-L583 HydrophobicContact CD1-CD1 4.12Å; F558-L583 HydrophobicContact CD1-CD2 4.05Å; F558-L583 HydrophobicContact CD1-CG 4.46Å; F558-L583 HydrophobicContact CD2-CB 4.48Å; F558-L583 HydrophobicContact CE1-CD2 3.95Å; F558-L583 HydrophobicContact CG-CB 4.39Å; F558-L583 HydrophobicContact CG-CD1 4.28Å; F558-S584 WeakPolarHBondContact CE2-O 3.43Å; F558-F585 HydrophobicContact CE2-CB 4.37Å; F558-V598 HydrophobicContact CB-CG1 4.15Å; F558-V598 HydrophobicContact CB-CG2 4.48Å; F558-V598 HydrophobicContact CD2-CG2 3.58Å; F558-V598 HydrophobicContact CE2-CG2 4.16Å; F558-V598 HydrophobicContact CG-CG2 4.31Å
559	I	87.4	Confident	84	Confident	112 Å²	112	60.8 Å²	60.8	57%	0.574	35%	0.354	S	S	*	.	H	α-helix	trans	-63.4	-46.2	177.1	-69	164.8	0	0	0	110.8	G555 N556 W557 T562 G563	G555-I559 VanDerWaalsContact O-CG1 3.28Å; G555-I559 WeakPolarHBondContact O-CG1 3.15Å; G555-I559 PolarHBondContact O-N 3.09Å; N556-I559 PolarHBondContact O-N 3.47Å; N556-I559 VanDerWaalsContact O-N 3.17Å; W557-I559 PolarHBondContact O-N 3.23Å; I559-T562 PolarHBondContact O-N 3.16Å; I559-T562 PolarHBondContact O-OG1 3.34Å; I559-G563 PolarHBondContact O-N 3.13Å
560	V	87.9	Confident	84.3	Confident	49 Å²	49	58.3 Å²	58.3	30%	0.297	34%	0.344	S	S	.	.	H	α-helix	trans	-63.9	-44.1	179	174.5	0	0	0	0	111	L542 N556 W557 G563 R564	L542-V560 HydrophobicContact CD2-CG1 4.18Å; N556-V560 WeakPolarHBondContact O-CG2 3.24Å; N556-V560 PolarHBondContact O-N 3.13Å; W557-V560 PolarHBondContact O-N 3.4Å; V560-G563 PolarHBondContact O-N 3.35Å; V560-R564 WeakPolarHBondContact O-CG 3.33Å; V560-R564 PolarHBondContact O-N 3.2Å
561	M	88.3	Confident	85.2	Confident	0 Å²	0	56 Å²	56	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62	-46.2	178.1	179.3	-179.7	60.9	0	0	111.9	I539 L542 W557 F558 C567 F573 F585	I539-M561 HydrophobicContact CG1-SD 4.13Å; I539-M561 HydrophobicContact CG2-SD 4.08Å; L542-M561 HydrophobicContact CD1-CB 4.21Å; L542-M561 HydrophobicContact CD1-CG 4.46Å; W557-M561 HydrophobicContact CH2-CE 4.43Å; W557-M561 HydrophobicContact CH2-SD 4.31Å; W557-M561 HydrophobicContact CZ2-SD 3.91Å; W557-M561 VanDerWaalsContact O-CB 3.25Å; W557-M561 WeakPolarHBondContact O-CB 3.31Å; W557-M561 PolarHBondContact O-N 3.48Å; F558-M561 HydrophobicContact CD2-CE 3.87Å; F558-M561 HydrophobicContact CE2-CE 4.47Å; F558-M561 PolarHBondContact O-N 2.86Å; M561-C567 HydrophobicContact CG-CB 4.4Å; M561-C567 VanDerWaalsContact O-CB 3.29Å; M561-C567 WeakPolarHBondContact O-CB 3.5Å; M561-F573 HydrophobicContact CE-CE2 4.21Å; M561-F573 HydrophobicContact CE-CZ 4.07Å; M561-F573 HydrophobicContact CG-CE2 4.21Å; M561-F573 HydrophobicContact CG-CZ 4.07Å; M561-F573 HydrophobicContact SD-CE2 3.95Å; M561-F573 HydrophobicContact SD-CZ 4.2Å; M561-F585 HydrophobicContact CE-CB 4.25Å; M561-F585 HydrophobicContact CE-CD1 3.64Å; M561-F585 HydrophobicContact CE-CD2 4.4Å; M561-F585 HydrophobicContact CE-CE1 4.02Å; M561-F585 HydrophobicContact CE-CG 3.85Å
562	T	86.3	Confident	86.1	Confident	40 Å²	40	54.1 Å²	54.1	25%	0.245	31%	0.313	C	S	.	.	H	α-helix	trans	-76.3	-24.8	-178.8	55	0	0	0	0	113.5	F558 I559 S568 F573 V575	F558-T562 HydrophobicContact CD1-CG2 4.43Å; F558-T562 HydrophobicContact CD2-CG2 4.13Å; F558-T562 HydrophobicContact CE1-CG2 4.11Å; F558-T562 HydrophobicContact CE2-CG2 3.8Å; F558-T562 HydrophobicContact CG-CG2 4.45Å; F558-T562 HydrophobicContact CZ-CG2 3.8Å; F558-T562 WeakPolarHBondContact O-CB 3.49Å; F558-T562 VanDerWaalsContact O-CG2 3.3Å; F558-T562 WeakPolarHBondContact O-CG2 3.28Å; F558-T562 PolarHBondContact O-N 3.23Å; F558-T562 PolarHBondContact O-OG1 2.91Å; I559-T562 PolarHBondContact O-N 3.16Å; I559-T562 PolarHBondContact O-OG1 3.34Å; T562-S568 WeakPolarHBondContact O-CB 3.35Å; T562-F573 HydrophobicContact CG2-CE1 4.27Å; T562-F573 HydrophobicContact CG2-CZ 4.15Å; T562-V575 HydrophobicContact CG2-CG2 3.68Å
563	G	85.4	Confident	86.9	Confident	61 Å²	61	52.9 Å²	52.9	63%	0.629	30%	0.303	S	S	*	.	H	α-helix	trans	-82.9	-13	177.9	0	0	0	0	0	115	I559 V560	I559-G563 PolarHBondContact O-N 3.13Å; V560-G563 PolarHBondContact O-N 3.35Å
564	R	84.3	Confident	87.2	Confident	79 Å²	79	54.2 Å²	54.2	30%	0.298	31%	0.306	S	S	.	.	S	Bend	trans	-88.1	141.6	179.9	-79.9	-167.1	-174.1	-136	7.3	112.6	L537 V560 E566 C567 S568	L537-R564 VanDerWaalsContact CD1-NH1 3.29Å; V560-R564 WeakPolarHBondContact O-CG 3.33Å; V560-R564 PolarHBondContact O-N 3.2Å; R564-E566 VanDerWaalsContact C-N 3.34Å; R564-E566 PolarHBondContact O-N 3.35Å; R564-C567 PolarHBondContact O-N 3.22Å; R564-S568 VanDerWaalsContact O-CB 3.23Å; R564-S568 WeakPolarHBondContact O-CB 3.09Å; R564-S568 PolarHBondContact O-N 2.97Å; R564-S568 PolarHBondContact O-OG 3.19Å
565	D	83	Confident	87.3	Confident	88 Å²	88	54.8 Å²	54.8	47%	0.471	31%	0.311	S	S	.	.	H	α-helix	trans	-64.9	-37.7	-178.2	-86.4	-12.3	0	0	0	112	C567 K569	D565-C567 VanDerWaalsContact C-N 3.28Å; D565-C567 PolarHBondContact O-N 3.3Å; D565-K569 HydrophobicContact CB-CD 4.03Å; D565-K569 VanDerWaalsContact CG-CE 3.45Å; D565-K569 VanDerWaalsContact O-CB 3.26Å; D565-K569 WeakPolarHBondContact O-CB 3.12Å; D565-K569 PolarHBondContact O-N 2.93Å; D565-K569 WeakPolarHBondContact OD1-CE 3.43Å; D565-K569 IonicContact OD1-NZ 2.78Å; D565-K569 PolarHBondContact OD1-NZ 3.24Å; D565-K569 IonicContact OD2-NZ 3.87Å; D565-K569 PolarHBondContact OD2-NZ 3Å
566	E	81.1	Confident	87.2	Confident	102 Å²	102	55.2 Å²	55.2	48%	0.477	31%	0.309	S	S	.	.	H	α-helix	trans	-60.6	-36.4	-177.6	-62.9	85	170.9	0	0	112.5	R564	R564-E566 VanDerWaalsContact C-N 3.34Å; R564-E566 PolarHBondContact O-N 3.35Å
567	C	83.5	Confident	86.7	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-87.7	-55.2	173.9	-65.5	0	0	0	0	111.1	L532 M561 R564 D565 K569 S570 F573	L532-C567 HydrophobicContact CD1-CB 4.15Å; M561-C567 HydrophobicContact CG-CB 4.4Å; M561-C567 VanDerWaalsContact O-CB 3.29Å; M561-C567 WeakPolarHBondContact O-CB 3.5Å; R564-C567 PolarHBondContact O-N 3.22Å; D565-C567 VanDerWaalsContact C-N 3.28Å; D565-C567 PolarHBondContact O-N 3.3Å; C567-K569 VanDerWaalsContact C-N 3.34Å; C567-K569 PolarHBondContact O-N 3.02Å; C567-S570 VanDerWaalsContact O-CB 3.28Å; C567-S570 WeakPolarHBondContact O-CB 3.48Å; C567-S570 PolarHBondContact O-N 3.31Å; C567-S570 VanDerWaalsContact O-N 3.07Å; C567-F573 HydrophobicContact CB-CD1 4.41Å; C567-F573 HydrophobicContact CB-CG 4.46Å; C567-F573 VanDerWaalsContact O-CB 3.22Å; C567-F573 WeakPolarHBondContact O-CB 3.12Å; C567-F573 WeakPolarHBondContact O-CD1 3.42Å
568	S	82.1	Confident	86	Confident	54 Å²	54	68.6 Å²	68.6	38%	0.378	37%	0.369	S	S	.	.	H	α-helix	trans	-65.3	-30.6	-170	63.6	0	0	0	0	114.7	T562 R564	T562-S568 WeakPolarHBondContact O-CB 3.35Å; R564-S568 VanDerWaalsContact O-CB 3.23Å; R564-S568 WeakPolarHBondContact O-CB 3.09Å; R564-S568 PolarHBondContact O-N 2.97Å; R564-S568 PolarHBondContact O-OG 3.19Å
569	K	85.6	Confident	84.9	Confident	152 Å²	152	79.2 Å²	79.2	66%	0.661	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-6.2	176.8	-62.9	176.9	175.4	163.8	0	113	D565 C567 A571	D565-K569 HydrophobicContact CB-CD 4.03Å; D565-K569 VanDerWaalsContact CG-CE 3.45Å; D565-K569 VanDerWaalsContact O-CB 3.26Å; D565-K569 WeakPolarHBondContact O-CB 3.12Å; D565-K569 PolarHBondContact O-N 2.93Å; D565-K569 WeakPolarHBondContact OD1-CE 3.43Å; D565-K569 IonicContact OD1-NZ 2.78Å; D565-K569 PolarHBondContact OD1-NZ 3.24Å; D565-K569 IonicContact OD2-NZ 3.87Å; D565-K569 PolarHBondContact OD2-NZ 3Å; C567-K569 VanDerWaalsContact C-N 3.34Å; C567-K569 PolarHBondContact O-N 3.02Å; K569-A571 PolarHBondContact O-N 3.13Å
570	S	86.9	Confident	83.8	Confident	26 Å²	26	77.6 Å²	77.6	18%	0.182	41%	0.407	C	S	.	.			trans	-67.8	130.4	177.8	-178.7	0	0	0	0	110.4	C567 Y572 F573	C567-S570 VanDerWaalsContact O-CB 3.28Å; C567-S570 WeakPolarHBondContact O-CB 3.48Å; C567-S570 PolarHBondContact O-N 3.31Å; C567-S570 VanDerWaalsContact O-N 3.07Å; S570-Y572 PolarHBondContact O-N 2.91Å; S570-Y572 PolarHBondContact OG-N 3.4Å; S570-F573 PolarHBondContact O-N 3.05Å; S570-F573 VanDerWaalsContact O-N 3.16Å
571	A	87.4	Confident	82.9	Confident	72 Å²	72	83.7 Å²	83.7	60%	0.595	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.6	175	0	0	0	0	0	113.1	K569 K588	K569-A571 PolarHBondContact O-N 3.13Å; A571-K588 WeakPolarHBondContact O-CD 3.5Å; A571-K588 WeakPolarHBondContact O-CE 3.41Å; A571-K588 PolarHBondContact O-NZ 3.44Å
572	Y	91.4	Very high	82.4	Confident	64 Å²	64	91.2 Å²	91.2	25%	0.251	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-4.9	-175.9	-66.9	-95.7	0	0	0	113.8	P528 C529 S570 V587 K588	P528-Y572 HydrophobicContact CB-CD2 4.17Å; P528-Y572 HydrophobicContact CB-CE2 3.68Å; P528-Y572 HydrophobicContact CG-CE2 4.48Å; C529-Y572 HydrophobicContact CB-CD1 3.58Å; C529-Y572 HydrophobicContact CB-CE1 3.89Å; C529-Y572 HydrophobicContact CB-CG 4.09Å; S570-Y572 PolarHBondContact O-N 2.91Å; S570-Y572 PolarHBondContact OG-N 3.4Å; Y572-V587 CarbonylContact O-C 3.55Å; Y572-V587 WeakPolarHBondContact O-CA 3.44Å; Y572-K588 HydrophobicContact CD1-CB 4.26Å; Y572-K588 VanDerWaalsContact CD1-O 3.22Å; Y572-K588 WeakPolarHBondContact CD1-O 3.43Å; Y572-K588 PolarHBondContact O-N 2.89Å
573	F	93.5	Very high	82.5	Confident	12 Å²	12	92.4 Å²	92.4	5%	0.053	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140	179.6	-173.5	-97.7	0	0	0	110.3	L532 I539 M561 T562 C567 S570 V575 F585 F586	L532-F573 HydrophobicContact CD1-CB 4.12Å; L532-F573 HydrophobicContact CD1-CD2 4.42Å; L532-F573 HydrophobicContact CD2-CB 3.84Å; L532-F573 HydrophobicContact CD2-CD2 4.45Å; I539-F573 HydrophobicContact CD1-CD2 4.32Å; I539-F573 HydrophobicContact CD1-CE2 4.47Å; M561-F573 HydrophobicContact CE-CE2 4.21Å; M561-F573 HydrophobicContact CE-CZ 4.07Å; M561-F573 HydrophobicContact CG-CE2 4.21Å; M561-F573 HydrophobicContact CG-CZ 4.07Å; M561-F573 HydrophobicContact SD-CE2 3.95Å; M561-F573 HydrophobicContact SD-CZ 4.2Å; T562-F573 HydrophobicContact CG2-CE1 4.27Å; T562-F573 HydrophobicContact CG2-CZ 4.15Å; C567-F573 HydrophobicContact CB-CD1 4.41Å; C567-F573 HydrophobicContact CB-CG 4.46Å; C567-F573 VanDerWaalsContact O-CB 3.22Å; C567-F573 WeakPolarHBondContact O-CB 3.12Å; C567-F573 WeakPolarHBondContact O-CD1 3.42Å; S570-F573 PolarHBondContact O-N 3.05Å; S570-F573 VanDerWaalsContact O-N 3.16Å; F573-V575 HydrophobicContact CD1-CG2 4.45Å; F573-V575 HydrophobicContact CE1-CG2 3.6Å; F573-V575 HydrophobicContact CZ-CG2 4.05Å; F573-F585 HydrophobicContact CD2-CD2 4.36Å; F573-F585 HydrophobicContact CE2-CB 3.95Å; F573-F585 AromaticContact CE2-CD2 3.7Å; F573-F585 HydrophobicContact CE2-CD2 3.7Å; F573-F585 HydrophobicContact CE2-CG 4.07Å; F573-F585 HydrophobicContact CZ-CB 4Å; F573-F586 WeakPolarHBondContact CA-O 3.5Å
574	D	90.9	Very high	82.8	Confident	77 Å²	77	90.1 Å²	90.1	41%	0.412	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	161.7	173.4	-155.2	-8.4	0	0	0	110.7	F586	D574-F586 HydrophobicContact CB-CB 4.07Å; D574-F586 HydrophobicContact CB-CD2 4.45Å; D574-F586 PolarHBondContact N-O 2.86Å; D574-F586 PolarHBondContact O-N 3.08Å
575	V	88.8	Confident	83.2	Confident	46 Å²	46	86.3 Å²	86.3	28%	0.279	43%	0.431	S	S	.	.			trans	-130.1	138.8	-179.1	-176.1	0	0	0	0	109.1	F558 T562 F573 K577	F558-V575 HydrophobicContact CE2-CG1 4.45Å; F558-V575 HydrophobicContact CZ-CG1 3.81Å; T562-V575 HydrophobicContact CG2-CG2 3.68Å; F573-V575 HydrophobicContact CD1-CG2 4.45Å; F573-V575 HydrophobicContact CE1-CG2 3.6Å; F573-V575 HydrophobicContact CZ-CG2 4.05Å; V575-K577 PolarHBondContact O-N 2.8Å
576	P	86	Confident	83.6	Confident	37 Å²	37	84.9 Å²	84.9	24%	0.24	42%	0.421	C	S	.	.			trans	-53	124	175.8	-20.7	27.6	0	0	0	112.1	I578 S584 F586	P576-I578 VanDerWaalsContact C-N 3.26Å; P576-I578 PolarHBondContact O-N 2.96Å; P576-S584 WeakPolarHBondContact CD-O 3.33Å; P576-S584 WeakPolarHBondContact CG-OG 3.28Å; P576-F586 HydrophobicContact CB-CE2 4.24Å; P576-F586 HydrophobicContact CG-CD2 4.33Å; P576-F586 HydrophobicContact CG-CE2 3.64Å; P576-F586 HydrophobicContact CG-CZ 4.38Å
577	K	80.2	Confident	84.3	Confident	206 Å²	206	80 Å²	80	90%	0.896	40%	0.398	S	S	*	.	S	Bend	trans	-64.8	-31.4	179	-65	-178.8	-179.4	177.4	0	112.9	V575	V575-K577 PolarHBondContact O-N 2.8Å
578	I	76.1	Confident	84.7	Confident	138 Å²	138	83.9 Å²	83.9	71%	0.708	42%	0.415	S	S	*	.	S	Bend	trans	-92.4	119.5	177.1	-58.5	171.5	0	0	0	107.3	P576 S580	P576-I578 VanDerWaalsContact C-N 3.26Å; P576-I578 PolarHBondContact O-N 2.96Å; I578-S580 PolarHBondContact O-N 2.69Å
579	R	66	Low	85.2	Confident	249 Å²	249	81.8 Å²	81.8	94%	0.94	40%	0.399	S	S	*	.			trans	-61.6	106.8	170.5	-87.1	-177.9	168.2	162.2	-3.1	108.6
580	S	65.7	Low	85.4	Confident	78 Å²	78	77 Å²	77	55%	0.545	38%	0.378	S	S	.	.			trans	-87.8	160.6	167.2	-59.8	0	0	0	0	109.1	I578 R582	I578-S580 PolarHBondContact O-N 2.69Å; S580-R582 PolarHBondContact O-N 2.76Å; S580-R582 VanDerWaalsContact O-N 3.16Å
581	D	68.7	Low	85.4	Confident	176 Å²	176	76.7 Å²	76.7	94%	0.941	38%	0.377	S	S	*	.	S	Bend	trans	-59	-26.2	176	-68.8	-19.3	0	0	0	112.7
582	R	77.4	Confident	85.4	Confident	158 Å²	158	74.6 Å²	74.6	60%	0.596	36%	0.363	S	S	*	.	S	Bend	trans	-104.1	128.4	177.2	-62	-172.5	-173	-178.2	-0.1	111.3	S580 T597 D599	S580-R582 PolarHBondContact O-N 2.76Å; S580-R582 VanDerWaalsContact O-N 3.16Å; R582-T597 HydrophobicContact CB-CG2 4.45Å; R582-D599 WeakPolarHBondContact CD-OD2 3.35Å
583	L	88.3	Confident	85.4	Confident	65 Å²	65	75.2 Å²	75.2	34%	0.34	37%	0.374	S	S	.	.			trans	-69.3	130.3	174.5	-60.1	178.3	0	0	0	109.3	F558 V598	F558-L583 HydrophobicContact CB-CD1 4.29Å; F558-L583 HydrophobicContact CD1-CB 4.49Å; F558-L583 HydrophobicContact CD1-CD1 4.12Å; F558-L583 HydrophobicContact CD1-CD2 4.05Å; F558-L583 HydrophobicContact CD1-CG 4.46Å; F558-L583 HydrophobicContact CD2-CB 4.48Å; F558-L583 HydrophobicContact CE1-CD2 3.95Å; F558-L583 HydrophobicContact CG-CB 4.39Å; F558-L583 HydrophobicContact CG-CD1 4.28Å; L583-V598 HydrophobicContact CB-CB 3.9Å; L583-V598 HydrophobicContact CB-CG1 4.5Å; L583-V598 HydrophobicContact CB-CG2 3.9Å; L583-V598 WeakPolarHBondContact O-CB 3.35Å; L583-V598 WeakPolarHBondContact O-CG2 3.39Å; L583-V598 PolarHBondContact O-N 2.89Å
584	S	91	Very high	85.4	Confident	13 Å²	13	74.7 Å²	74.7	9%	0.091	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	158.3	177.9	56	0	0	0	0	111.6	F558 P576 N595 Y596	F558-S584 WeakPolarHBondContact CE2-O 3.43Å; P576-S584 WeakPolarHBondContact CD-O 3.33Å; P576-S584 WeakPolarHBondContact CG-OG 3.28Å; S584-N595 VanDerWaalsContact CB-OD1 3.28Å; S584-N595 WeakPolarHBondContact CB-OD1 3.3Å; S584-N595 PolarHBondContact OG-OD1 3.43Å; S584-Y596 CarbonylContact C-O 3.59Å; S584-Y596 WeakPolarHBondContact CA-O 3.42Å; S584-Y596 WeakPolarHBondContact CB-O 3.46Å
585	F	92.9	Very high	85.5	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	155.4	178.5	64.7	-84.2	0	0	0	110.2	F486 I539 W557 F558 M561 F573 V587 N595 Y596 V598 F601	F486-F585 HydrophobicContact CD2-CZ 4.46Å; F486-F585 HydrophobicContact CE2-CE2 4.17Å; F486-F585 HydrophobicContact CE2-CZ 4.38Å; I539-F585 HydrophobicContact CD1-CE2 4.2Å; W557-F585 AromaticContact CH2-CE1 3.96Å; W557-F585 HydrophobicContact CH2-CE1 3.96Å; W557-F585 HydrophobicContact CH2-CZ 4.21Å; W557-F585 HydrophobicContact CZ3-CE1 4.33Å; F558-F585 HydrophobicContact CE2-CB 4.37Å; M561-F585 HydrophobicContact CE-CB 4.25Å; M561-F585 HydrophobicContact CE-CD1 3.64Å; M561-F585 HydrophobicContact CE-CD2 4.4Å; M561-F585 HydrophobicContact CE-CE1 4.02Å; M561-F585 HydrophobicContact CE-CG 3.85Å; F573-F585 HydrophobicContact CD2-CD2 4.36Å; F573-F585 HydrophobicContact CE2-CB 3.95Å; F573-F585 AromaticContact CE2-CD2 3.7Å; F573-F585 HydrophobicContact CE2-CD2 3.7Å; F573-F585 HydrophobicContact CE2-CG 4.07Å; F573-F585 HydrophobicContact CZ-CB 4Å; F585-V587 HydrophobicContact CD2-CG2 3.91Å; F585-V587 HydrophobicContact CE2-CG2 3.75Å; F585-N595 PolarHBondContact O-OD1 3.49Å; F585-Y596 HydrophobicContact CD2-CD2 4.4Å; F585-Y596 AromaticContact CE2-CD2 3.86Å; F585-Y596 HydrophobicContact CE2-CD2 3.86Å; F585-Y596 HydrophobicContact CE2-CG 4.25Å; F585-Y596 HydrophobicContact CZ-CD2 4.23Å; F585-Y596 HydrophobicContact CZ-CG 4.16Å; F585-Y596 PolarHBondContact N-O 2.97Å; F585-Y596 PolarHBondContact O-N 3.45Å; F585-V598 HydrophobicContact CD1-CG2 3.85Å; F585-V598 HydrophobicContact CE1-CG2 4.19Å; F585-F601 HydrophobicContact CE1-CE1 4.48Å; F585-F601 HydrophobicContact CE1-CZ 4.4Å; F585-F601 HydrophobicContact CZ-CE1 4.31Å; F585-F601 HydrophobicContact CZ-CZ 4.36Å
586	F	93.1	Very high	85.8	Confident	57 Å²	57	71.3 Å²	71.3	25%	0.25	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.4	179.3	-64.1	-83.5	0	0	0	111.3	F573 D574 P576 T593 V594 N595	F573-F586 WeakPolarHBondContact CA-O 3.5Å; D574-F586 HydrophobicContact CB-CB 4.07Å; D574-F586 HydrophobicContact CB-CD2 4.45Å; D574-F586 PolarHBondContact N-O 2.86Å; D574-F586 PolarHBondContact O-N 3.08Å; P576-F586 HydrophobicContact CB-CE2 4.24Å; P576-F586 HydrophobicContact CG-CD2 4.33Å; P576-F586 HydrophobicContact CG-CE2 3.64Å; P576-F586 HydrophobicContact CG-CZ 4.38Å; F586-T593 HydrophobicContact CB-CG2 3.85Å; F586-T593 HydrophobicContact CD1-CG2 3.84Å; F586-T593 HydrophobicContact CG-CG2 4.19Å; F586-V594 VanDerWaalsContact CA-O 3.28Å; F586-V594 WeakPolarHBondContact CA-O 3.4Å; F586-N595 HydrophobicContact CD1-CB 3.78Å; F586-N595 HydrophobicContact CE1-CB 3.49Å; F586-N595 VanDerWaalsContact CE1-CB 3.49Å; F586-N595 HydrophobicContact CZ-CB 4.27Å
587	V	94.6	Very high	86.1	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.8	165.9	-176.8	0	0	0	0	109.3	F486 L532 I533 I539 Y572 F585 H589 T593 V594 Y596	F486-V587 HydrophobicContact CE2-CG2 4.23Å; L532-V587 HydrophobicContact CD2-CG1 4.29Å; I533-V587 HydrophobicContact CD1-CG1 4.49Å; I539-V587 HydrophobicContact CD1-CG2 4.02Å; Y572-V587 CarbonylContact O-C 3.55Å; Y572-V587 WeakPolarHBondContact O-CA 3.44Å; F585-V587 HydrophobicContact CD2-CG2 3.91Å; F585-V587 HydrophobicContact CE2-CG2 3.75Å; V587-H589 WeakPolarHBondContact CG1-NE2 3.44Å; V587-H589 PolarHBondContact O-N 3.1Å; V587-T593 WeakPolarHBondContact O-CA 3.23Å; V587-V594 PolarHBondContact N-O 3.49Å; V587-V594 PolarHBondContact O-N 2.83Å; V587-Y596 HydrophobicContact CB-CD2 4.46Å; V587-Y596 HydrophobicContact CB-CE2 4Å; V587-Y596 HydrophobicContact CG2-CD2 4.15Å; V587-Y596 HydrophobicContact CG2-CE2 4.1Å
588	K	92.7	Very high	86.6	Confident	82 Å²	82	60.6 Å²	60.6	36%	0.357	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	80.4	179.4	-58.4	-173.7	-171.1	152.1	0	110.6	A571 Y572 T593	A571-K588 WeakPolarHBondContact O-CD 3.5Å; A571-K588 WeakPolarHBondContact O-CE 3.41Å; A571-K588 PolarHBondContact O-NZ 3.44Å; Y572-K588 HydrophobicContact CD1-CB 4.26Å; Y572-K588 VanDerWaalsContact CD1-O 3.22Å; Y572-K588 WeakPolarHBondContact CD1-O 3.43Å; Y572-K588 PolarHBondContact O-N 2.89Å; K588-T593 HydrophobicContact CG-CG2 4.1Å
589	H	93	Very high	87.1	Confident	9 Å²	9	57.7 Å²	57.7	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	166.9	174.9	-67.7	-79.4	0	0	0	112.6	F475 E493 V587 A591 G592 Y596	F475-H589 HydrophobicContact CE2-CB 3.56Å; F475-H589 AromaticContact CE2-CG 3.71Å; F475-H589 HydrophobicContact CZ-CB 3.35Å; F475-H589 AromaticContact CZ-CD2 3.86Å; F475-H589 AromaticContact CZ-CG 3.53Å; E493-H589 WeakPolarHBondContact OE2-CA 3.22Å; E493-H589 WeakPolarHBondContact OE2-CB 3.45Å; E493-H589 IonicContact OE2-CG 3.01Å; E493-H589 IonicContact OE2-ND1 3.43Å; E493-H589 PolarHBondContact OE2-ND1 3.44Å; V587-H589 WeakPolarHBondContact CG1-NE2 3.44Å; V587-H589 PolarHBondContact O-N 3.1Å; H589-A591 PolarHBondContact O-N 3.17Å; H589-G592 WeakPolarHBondContact CB-O 3.23Å; H589-G592 PolarHBondContact N-O 2.92Å; H589-G592 PolarHBondContact O-N 3.07Å; H589-G592 VanDerWaalsContact O-N 3.08Å; H589-Y596 AromaticContact NE2-CE2 3.7Å; H589-Y596 AromaticContact NE2-CZ 3.8Å; H589-Y596 PolarHBondContact NE2-OH 2.96Å
590	F	89.2	Confident	87.7	Confident	51 Å²	51	46.5 Å²	46.5	22%	0.224	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.8	176.1	81	-88.9	0	0	0	113.2	F475 E493 Q496 N526 A700	F475-F590 AromaticContact CD2-CE1 3.78Å; F475-F590 HydrophobicContact CD2-CE1 3.78Å; F475-F590 HydrophobicContact CD2-CZ 4.22Å; F475-F590 HydrophobicContact CE2-CE1 4.2Å; E493-F590 WeakPolarHBondContact OE2-CD1 3.43Å; E493-F590 PolarHBondContact OE2-N 3.13Å; Q496-F590 HydrophobicContact CB-CD1 3.98Å; Q496-F590 HydrophobicContact CB-CE1 3.88Å; Q496-F590 HydrophobicContact CB-CG 4.38Å; Q496-F590 HydrophobicContact CB-CZ 4.22Å; Q496-F590 HydrophobicContact CG-CD1 3.97Å; Q496-F590 HydrophobicContact CG-CD2 3.9Å; Q496-F590 HydrophobicContact CG-CE1 4.12Å; Q496-F590 HydrophobicContact CG-CE2 4.07Å; Q496-F590 HydrophobicContact CG-CG 3.85Å; Q496-F590 HydrophobicContact CG-CZ 4.16Å; N526-F590 WeakPolarHBondContact ND2-CB 3.32Å; F590-A700 VanDerWaalsContact CZ-O 3.23Å; F590-A700 WeakPolarHBondContact CZ-O 3.49Å
591	A	86.4	Confident	88.8	Confident	20 Å²	20	42.8 Å²	42.8	17%	0.165	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-22.9	-178.9	0	0	0	0	0	113.1	F475 H589 A700	F475-A591 HydrophobicContact CD1-CB 3.54Å; F475-A591 HydrophobicContact CD2-CB 3.96Å; F475-A591 HydrophobicContact CE1-CB 3.6Å; F475-A591 HydrophobicContact CE2-CB 4.02Å; F475-A591 HydrophobicContact CG-CB 3.75Å; F475-A591 HydrophobicContact CZ-CB 3.87Å; H589-A591 PolarHBondContact O-N 3.17Å; A591-A700 HydrophobicContact CB-CB 4.37Å
592	G	87.7	Confident	89.5	Confident	28 Å²	28	34.8 Å²	34.8	29%	0.289	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	149.7	174.9	-173.8	0	0	0	0	0	112.8	H589	H589-G592 WeakPolarHBondContact CB-O 3.23Å; H589-G592 PolarHBondContact N-O 2.92Å; H589-G592 PolarHBondContact O-N 3.07Å; H589-G592 VanDerWaalsContact O-N 3.08Å
593	T	91.9	Very high	89.4	Confident	78 Å²	78	32.6 Å²	32.6	48%	0.479	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125.8	176.9	-52.7	0	0	0	0	110.5	F586 V587 K588	F586-T593 HydrophobicContact CB-CG2 3.85Å; F586-T593 HydrophobicContact CD1-CG2 3.84Å; F586-T593 HydrophobicContact CG-CG2 4.19Å; V587-T593 WeakPolarHBondContact O-CA 3.23Å; K588-T593 HydrophobicContact CG-CG2 4.1Å
594	V	92.6	Very high	88.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.8	-177.5	-175	0	0	0	0	110	F475 I477 N481 F586 V587 Y596	F475-V594 HydrophobicContact CE1-CG2 3.75Å; F475-V594 HydrophobicContact CZ-CG2 3.81Å; I477-V594 HydrophobicContact CD1-CG2 3.92Å; I477-V594 HydrophobicContact CG1-CG2 3.82Å; I477-V594 HydrophobicContact CG2-CG1 4.43Å; N481-V594 HydrophobicContact CB-CG1 4.28Å; F586-V594 VanDerWaalsContact CA-O 3.28Å; F586-V594 WeakPolarHBondContact CA-O 3.4Å; V587-V594 PolarHBondContact N-O 3.49Å; V587-V594 PolarHBondContact O-N 2.83Å; V594-Y596 HydrophobicContact CB-CE2 3.74Å; V594-Y596 HydrophobicContact CG1-CD1 4.38Å; V594-Y596 HydrophobicContact CG1-CD2 4.36Å; V594-Y596 HydrophobicContact CG1-CE1 3.76Å; V594-Y596 HydrophobicContact CG1-CE2 3.76Å; V594-Y596 VanDerWaalsContact CG1-CZ 3.41Å; V594-Y596 WeakPolarHBondContact CG1-OH 3.45Å
595	N	93.5	Very high	88.3	Confident	53 Å²	53	32.2 Å²	32.2	28%	0.283	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	118.3	174.8	-168.4	19	0	0	0	110.9	N481 S584 F585 F586	N481-N595 WeakPolarHBondContact CB-O 2.99Å; N481-N595 PolarHBondContact ND2-O 2.88Å; S584-N595 VanDerWaalsContact CB-OD1 3.28Å; S584-N595 WeakPolarHBondContact CB-OD1 3.3Å; S584-N595 PolarHBondContact OG-OD1 3.43Å; F585-N595 PolarHBondContact O-OD1 3.49Å; F586-N595 HydrophobicContact CD1-CB 3.78Å; F586-N595 HydrophobicContact CE1-CB 3.49Å; F586-N595 VanDerWaalsContact CE1-CB 3.49Å; F586-N595 HydrophobicContact CZ-CB 4.27Å
596	Y	94.7	Very high	87.3	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.9	178	-63.9	-75.8	0	0	0	111	N481 Q485 F486 N489 S584 F585 V587 H589 V594	N481-Y596 HydrophobicContact CB-CD1 3.53Å; N481-Y596 HydrophobicContact CB-CE1 3.79Å; N481-Y596 HydrophobicContact CB-CG 4.44Å; N481-Y596 WeakPolarHBondContact O-CA 3.31Å; Q485-Y596 HydrophobicContact CB-CE1 4.49Å; F486-Y596 HydrophobicContact CB-CD1 3.88Å; F486-Y596 HydrophobicContact CB-CE1 3.79Å; F486-Y596 AromaticContact CD2-CD1 3.99Å; F486-Y596 HydrophobicContact CD2-CD1 3.99Å; F486-Y596 AromaticContact CD2-CD2 3.89Å; F486-Y596 HydrophobicContact CD2-CD2 3.89Å; F486-Y596 AromaticContact CD2-CE1 3.88Å; F486-Y596 HydrophobicContact CD2-CE1 3.88Å; F486-Y596 AromaticContact CD2-CE2 3.74Å; F486-Y596 HydrophobicContact CD2-CE2 3.74Å; F486-Y596 HydrophobicContact CD2-CG 4.01Å; F486-Y596 AromaticContact CD2-CZ 3.75Å; F486-Y596 HydrophobicContact CE2-CD2 4.41Å; F486-Y596 HydrophobicContact CE2-CE2 4.26Å; F486-Y596 HydrophobicContact CG-CD1 4.44Å; F486-Y596 HydrophobicContact CG-CE1 4.36Å; N489-Y596 WeakPolarHBondContact CB-OH 3.47Å; N489-Y596 PolarHBondContact ND2-OH 3.25Å; S584-Y596 CarbonylContact C-O 3.59Å; S584-Y596 WeakPolarHBondContact CA-O 3.42Å; S584-Y596 WeakPolarHBondContact CB-O 3.46Å; F585-Y596 HydrophobicContact CD2-CD2 4.4Å; F585-Y596 AromaticContact CE2-CD2 3.86Å; F585-Y596 HydrophobicContact CE2-CD2 3.86Å; F585-Y596 HydrophobicContact CE2-CG 4.25Å; F585-Y596 HydrophobicContact CZ-CD2 4.23Å; F585-Y596 HydrophobicContact CZ-CG 4.16Å; F585-Y596 PolarHBondContact N-O 2.97Å; F585-Y596 PolarHBondContact O-N 3.45Å; V587-Y596 HydrophobicContact CB-CD2 4.46Å; V587-Y596 HydrophobicContact CB-CE2 4Å; V587-Y596 HydrophobicContact CG2-CD2 4.15Å; V587-Y596 HydrophobicContact CG2-CE2 4.1Å; H589-Y596 AromaticContact NE2-CE2 3.7Å; H589-Y596 AromaticContact NE2-CZ 3.8Å; H589-Y596 PolarHBondContact NE2-OH 2.96Å; V594-Y596 HydrophobicContact CB-CE2 3.74Å; V594-Y596 HydrophobicContact CG1-CD1 4.38Å; V594-Y596 HydrophobicContact CG1-CD2 4.36Å; V594-Y596 HydrophobicContact CG1-CE1 3.76Å; V594-Y596 HydrophobicContact CG1-CE2 3.76Å; V594-Y596 VanDerWaalsContact CG1-CZ 3.41Å; V594-Y596 WeakPolarHBondContact CG1-OH 3.45Å
597	T	92.6	Very high	85.7	Confident	17 Å²	17	34.1 Å²	34.1	10%	0.104	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.7	178.5	-50	0	0	0	0	109.2	S480 N481 R582 D599 F601	S480-T597 PolarHBondContact OG-OG1 3.33Å; N481-T597 PolarHBondContact O-N 3.03Å; R582-T597 HydrophobicContact CB-CG2 4.45Å; T597-D599 HydrophobicContact CG2-CB 4.14Å; T597-D599 PolarHBondContact O-N 3.41Å; T597-F601 VanDerWaalsContact O-CD2 3.24Å; T597-F601 WeakPolarHBondContact O-CD2 3.28Å; T597-F601 WeakPolarHBondContact O-CE2 3.22Å
598	V	89.9	Confident	83.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.207	C	C	.	.			trans	-67.8	-25.4	-173	-178.6	0	0	0	0	112.2	D554 W557 F558 L583 F585 G600 F601	D554-V598 HydrophobicContact CB-CG1 3.9Å; W557-V598 HydrophobicContact CE3-CG1 3.81Å; W557-V598 HydrophobicContact CZ3-CG1 3.83Å; F558-V598 HydrophobicContact CB-CG1 4.15Å; F558-V598 HydrophobicContact CB-CG2 4.48Å; F558-V598 HydrophobicContact CD2-CG2 3.58Å; F558-V598 HydrophobicContact CE2-CG2 4.16Å; F558-V598 HydrophobicContact CG-CG2 4.31Å; L583-V598 HydrophobicContact CB-CB 3.9Å; L583-V598 HydrophobicContact CB-CG1 4.5Å; L583-V598 HydrophobicContact CB-CG2 3.9Å; L583-V598 WeakPolarHBondContact O-CB 3.35Å; L583-V598 WeakPolarHBondContact O-CG2 3.39Å; L583-V598 PolarHBondContact O-N 2.89Å; F585-V598 HydrophobicContact CD1-CG2 3.85Å; F585-V598 HydrophobicContact CE1-CG2 4.19Å; V598-G600 PolarHBondContact O-N 3.25Å; V598-G600 VanDerWaalsContact O-N 3.16Å; V598-F601 WeakPolarHBondContact O-CB 3.4Å; V598-F601 WeakPolarHBondContact O-CD2 3.49Å; V598-F601 PolarHBondContact O-N 3.36Å
599	D	86.9	Confident	82.1	Confident	77 Å²	77	35.2 Å²	35.2	41%	0.412	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	119.3	-177	-57	-27.7	0	0	0	112.7	R582 T597	R582-D599 WeakPolarHBondContact CD-OD2 3.35Å; T597-D599 HydrophobicContact CG2-CB 4.14Å; T597-D599 PolarHBondContact O-N 3.41Å
600	G	79.8	Confident	80.4	Confident	15 Å²	15	36.5 Å²	36.5	16%	0.155	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	7	178.2	0	0	0	0	0	115.1	D554 V598 K604	D554-G600 WeakPolarHBondContact OD2-CA 3.43Å; D554-G600 PolarHBondContact OD2-N 3.08Å; V598-G600 PolarHBondContact O-N 3.25Å; V598-G600 VanDerWaalsContact O-N 3.16Å; G600-K604 WeakPolarHBondContact O-CB 3.45Å; G600-K604 WeakPolarHBondContact O-CD 3.47Å; G600-K604 WeakPolarHBondContact O-CG 3.36Å; G600-K604 PolarHBondContact O-N 3.39Å
601	F	87.3	Confident	79	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-49.3	-179.9	-99.2	-115	0	0	0	112.4	L483 F486 L543 D554 W557 F585 T597 V598 N605	L483-F601 HydrophobicContact CB-CD1 4.26Å; L483-F601 HydrophobicContact CB-CD2 4.48Å; L483-F601 HydrophobicContact CB-CE1 4.27Å; L483-F601 HydrophobicContact CB-CE2 4.46Å; L483-F601 HydrophobicContact CB-CG 4.39Å; L483-F601 HydrophobicContact CB-CZ 4.38Å; L483-F601 HydrophobicContact CD1-CD1 3.88Å; L483-F601 HydrophobicContact CD1-CE1 3.9Å; F486-F601 HydrophobicContact CB-CE1 4.32Å; F486-F601 HydrophobicContact CB-CZ 4.18Å; F486-F601 HydrophobicContact CG-CE1 4.35Å; L543-F601 HydrophobicContact CD1-CB 4.21Å; L543-F601 HydrophobicContact CD2-CD1 4.24Å; D554-F601 PolarHBondContact OD1-N 3.18Å; W557-F601 HydrophobicContact CE3-CB 4.13Å; W557-F601 HydrophobicContact CH2-CB 4.28Å; W557-F601 AromaticContact CH2-CD1 3.29Å; W557-F601 HydrophobicContact CH2-CD1 3.29Å; W557-F601 AromaticContact CH2-CE1 3.77Å; W557-F601 HydrophobicContact CH2-CE1 3.77Å; W557-F601 AromaticContact CH2-CG 3.96Å; W557-F601 HydrophobicContact CH2-CG 3.96Å; W557-F601 HydrophobicContact CZ2-CD1 4.31Å; W557-F601 HydrophobicContact CZ3-CB 3.61Å; W557-F601 AromaticContact CZ3-CD1 3.48Å; W557-F601 HydrophobicContact CZ3-CD1 3.48Å; W557-F601 VanDerWaalsContact CZ3-CD1 3.48Å; W557-F601 HydrophobicContact CZ3-CE1 4.25Å; W557-F601 AromaticContact CZ3-CG 3.62Å; W557-F601 HydrophobicContact CZ3-CG 3.62Å; F585-F601 HydrophobicContact CE1-CE1 4.48Å; F585-F601 HydrophobicContact CE1-CZ 4.4Å; F585-F601 HydrophobicContact CZ-CE1 4.31Å; F585-F601 HydrophobicContact CZ-CZ 4.36Å; T597-F601 VanDerWaalsContact O-CD2 3.24Å; T597-F601 WeakPolarHBondContact O-CD2 3.28Å; T597-F601 WeakPolarHBondContact O-CE2 3.22Å; V598-F601 WeakPolarHBondContact O-CB 3.4Å; V598-F601 WeakPolarHBondContact O-CD2 3.49Å; V598-F601 PolarHBondContact O-N 3.36Å; F601-N605 VanDerWaalsContact O-CB 3.26Å; F601-N605 WeakPolarHBondContact O-CB 3.47Å; F601-N605 PolarHBondContact O-N 3.09Å
602	T	83.3	Confident	77.5	Confident	8 Å²	8	39.4 Å²	39.4	5%	0.049	23%	0.231	C	C	.	.	H	α-helix	trans	-65.7	-46.8	179.9	54.6	0	0	0	0	111.3	L543 E546 D554 W557 K604 N605 L606	L543-T602 HydrophobicContact CD1-CG2 4.09Å; E546-T602 HydrophobicContact CB-CG2 4.44Å; E546-T602 HydrophobicContact CG-CG2 3.82Å; D554-T602 VanDerWaalsContact OD1-CB 3.24Å; D554-T602 WeakPolarHBondContact OD1-CB 3.47Å; D554-T602 VanDerWaalsContact OD1-CG2 3.28Å; D554-T602 WeakPolarHBondContact OD1-CG2 3.33Å; D554-T602 PolarHBondContact OD1-N 3.36Å; D554-T602 PolarHBondContact OD1-OG1 3.02Å; W557-T602 HydrophobicContact CB-CG2 4.37Å; T602-K604 PolarHBondContact O-N 3.37Å; T602-N605 PolarHBondContact O-N 3.04Å; T602-L606 WeakPolarHBondContact O-CG 3.48Å; T602-L606 PolarHBondContact O-N 2.77Å
603	E	75.2	Confident	76	Confident	111 Å²	111	38.1 Å²	38.1	52%	0.519	22%	0.218	S	C	.	.	H	α-helix	trans	-58.1	-47.4	177.2	-173.2	-173.6	175	0	0	111.7	S430 N605 L606	S430-E603 PolarHBondContact OG-OE1 3.41Å; E603-N605 VanDerWaalsContact C-N 3.29Å; E603-N605 PolarHBondContact O-N 3.5Å; E603-L606 PolarHBondContact O-N 3Å
604	K	76.7	Confident	74.5	Confident	70 Å²	70	38.1 Å²	38.1	30%	0.304	21%	0.209	S	C	.	.	H	α-helix	trans	-67.2	-30.3	178.9	-70.7	173.7	175.4	-149.7	0	112.7	S482 L483 E484 G600 T602 V652	S482-K604 PolarHBondContact OG-NZ 3.44Å; S482-K604 VanDerWaalsContact OG-NZ 3.11Å; L483-K604 HydrophobicContact CB-CB 4.4Å; L483-K604 HydrophobicContact CB-CD 4.28Å; L483-K604 HydrophobicContact CD2-CB 3.72Å; E484-K604 VanDerWaalsContact CD-NZ 3.29Å; E484-K604 WeakPolarHBondContact OE1-CD 3.43Å; E484-K604 WeakPolarHBondContact OE1-CE 3.47Å; E484-K604 IonicContact OE1-NZ 2.67Å; E484-K604 PolarHBondContact OE1-NZ 3.28Å; E484-K604 IonicContact OE2-NZ 2.99Å; E484-K604 PolarHBondContact OE2-NZ 2.91Å; G600-K604 WeakPolarHBondContact O-CB 3.45Å; G600-K604 WeakPolarHBondContact O-CD 3.47Å; G600-K604 WeakPolarHBondContact O-CG 3.36Å; G600-K604 PolarHBondContact O-N 3.39Å; T602-K604 PolarHBondContact O-N 3.37Å; K604-V652 WeakPolarHBondContact O-CG2 3.41Å
605	N	81	Confident	73.1	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-79.8	-25.3	178.3	-166.1	42.5	0	0	0	112.9	L483 L543 D544 C547 F601 T602 E603 D607 T651 V652 A653	L483-N605 HydrophobicContact CD2-CB 3.91Å; L543-N605 HydrophobicContact CD2-CB 3.97Å; L543-N605 HydrophobicContact CG-CB 4.19Å; L543-N605 WeakPolarHBondContact CG-ND2 3.29Å; D544-N605 PolarHBondContact OD1-ND2 3.13Å; C547-N605 PolarHBondContact SG-ND2 3.2Å; C547-N605 VanDerWaalsContact SG-ND2 3.43Å; F601-N605 VanDerWaalsContact O-CB 3.26Å; F601-N605 WeakPolarHBondContact O-CB 3.47Å; F601-N605 PolarHBondContact O-N 3.09Å; T602-N605 PolarHBondContact O-N 3.04Å; E603-N605 VanDerWaalsContact C-N 3.29Å; E603-N605 PolarHBondContact O-N 3.5Å; N605-D607 VanDerWaalsContact C-N 3.34Å; N605-D607 PolarHBondContact O-N 2.99Å; N605-T651 WeakPolarHBondContact ND2-CB 3.49Å; N605-V652 PolarHBondContact O-N 3.31Å; N605-V652 VanDerWaalsContact O-N 3.12Å; N605-V652 PolarHBondContact OD1-N 2.99Å; N605-A653 WeakPolarHBondContact OD1-CB 3.45Å; N605-A653 PolarHBondContact OD1-N 3.14Å
606	L	71.6	Confident	71.6	Confident	58 Å²	58	41.4 Å²	41.4	30%	0.304	23%	0.225	S	C	.	.			trans	-69.3	88.5	172.7	-70.8	163.2	0	0	0	110.1	C547 P552 T602 E603 S608	C547-L606 HydrophobicContact CB-CD2 3.77Å; C547-L606 HydrophobicContact CB-CG 4.3Å; C547-L606 WeakPolarHBondContact O-CD2 3.18Å; P552-L606 HydrophobicContact CB-CD1 4.38Å; P552-L606 HydrophobicContact CG-CD1 3.49Å; P552-L606 VanDerWaalsContact CG-CD1 3.49Å; P552-L606 HydrophobicContact CG-CD2 4.34Å; P552-L606 HydrophobicContact CG-CG 4.43Å; T602-L606 WeakPolarHBondContact O-CG 3.48Å; T602-L606 PolarHBondContact O-N 2.77Å; E603-L606 PolarHBondContact O-N 3Å; L606-S608 PolarHBondContact O-N 3.46Å
607	D	59.6	Low	70.1	Confident	39 Å²	39	41.8 Å²	41.8	21%	0.209	23%	0.227	C	C	.	.			trans	-74	16.1	170.1	-152.9	36	0	0	0	112.5	K272 N605 V609 V652 K655	K272-D607 IonicContact NZ-OD1 3.97Å; K272-D607 PolarHBondContact NZ-OD1 3.19Å; K272-D607 IonicContact NZ-OD2 3.01Å; N605-D607 VanDerWaalsContact C-N 3.34Å; N605-D607 PolarHBondContact O-N 2.99Å; D607-V609 PolarHBondContact O-N 3.48Å; D607-V652 HydrophobicContact CB-CG2 3.71Å; D607-K655 IonicContact OD2-NZ 3.73Å; D607-K655 PolarHBondContact OD2-NZ 3.48Å
608	S	56.6	Low	68.9	Low	66 Å²	66	44.4 Å²	44.4	46%	0.462	24%	0.237	S	C	.	.			trans	-80.5	96.2	-169.1	68.2	0	0	0	0	111.5	L606	L606-S608 PolarHBondContact O-N 3.46Å
609	V	55.6	Low	67.8	Low	40 Å²	40	50.5 Å²	50.5	24%	0.242	27%	0.27	C	S	.	.			trans	-70.7	139.1	157.8	-176.1	0	0	0	0	108.9	M435 C438 D607 A611 L613	M435-V609 HydrophobicContact SD-CG1 3.5Å; M435-V609 WeakPolarHBondContact SD-CG1 3.34Å; C438-V609 HydrophobicContact CB-CG2 3.6Å; D607-V609 PolarHBondContact O-N 3.48Å; V609-A611 PolarHBondContact O-N 2.87Å; V609-L613 HydrophobicContact CG1-CB 4.39Å
610	N	56.5	Low	66.8	Low	35 Å²	35	46.9 Å²	46.9	19%	0.187	25%	0.251	C	S	.	.			trans	-60.3	131.9	176	-173.5	-7.4	0	0	0	110.4	F431 E612 L613 Y614	F431-N610 HydrophobicContact CE2-CB 3.84Å; F431-N610 HydrophobicContact CZ-CB 4.05Å; N610-E612 PolarHBondContact O-N 2.88Å; N610-E612 PolarHBondContact OD1-N 3.34Å; N610-L613 PolarHBondContact O-N 2.95Å; N610-Y614 PolarHBondContact O-N 3.25Å; N610-Y614 VanDerWaalsContact O-N 3.12Å
611	A	59.5	Low	66	Low	65 Å²	65	54 Å²	54	54%	0.537	28%	0.277	S	S	.	.	H	α-helix	trans	-58.6	-31	-176.4	0	0	0	0	0	113.3	V609 Y614 M615	V609-A611 PolarHBondContact O-N 2.87Å; A611-Y614 PolarHBondContact O-N 2.91Å; A611-M615 WeakPolarHBondContact O-CG 3.45Å; A611-M615 PolarHBondContact O-N 3.09Å
612	E	55.9	Low	64.6	Low	68 Å²	68	54.4 Å²	54.4	32%	0.318	28%	0.28	S	S	.	.	H	α-helix	trans	-73.9	-32.6	178.9	-153.2	146.3	-154.9	0	0	111.8	I411 N610 M615 V616	I411-E612 WeakPolarHBondContact CD1-OE2 3.21Å; N610-E612 PolarHBondContact O-N 2.88Å; N610-E612 PolarHBondContact OD1-N 3.34Å; E612-M615 WeakPolarHBondContact O-CA 3.26Å; E612-M615 VanDerWaalsContact O-CB 3.27Å; E612-M615 WeakPolarHBondContact O-CB 3.35Å; E612-M615 PolarHBondContact O-N 3.07Å; E612-M615 VanDerWaalsContact O-N 3.16Å; E612-V616 WeakPolarHBondContact O-CG2 3.28Å; E612-V616 PolarHBondContact O-N 2.7Å
613	L	56	Low	63.3	Low	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-73.6	-34	172.2	-89.3	-178.2	0	0	0	113.3	C406 F431 M435 V609 N610 M615 V616 L617	C406-L613 HydrophobicContact CB-CD1 4.3Å; C406-L613 HydrophobicContact CB-CD2 3.49Å; C406-L613 VanDerWaalsContact CB-CD2 3.49Å; C406-L613 HydrophobicContact CB-CG 3.78Å; F431-L613 HydrophobicContact CD1-CD1 4.3Å; F431-L613 HydrophobicContact CE1-CD1 3.21Å; F431-L613 HydrophobicContact CE1-CG 4.33Å; F431-L613 HydrophobicContact CE2-CD1 3.91Å; F431-L613 HydrophobicContact CZ-CD1 2.98Å; F431-L613 HydrophobicContact CZ-CG 3.99Å; M435-L613 HydrophobicContact CE-CB 4.03Å; M435-L613 HydrophobicContact CE-CD1 3.71Å; M435-L613 HydrophobicContact CE-CD2 4.05Å; M435-L613 HydrophobicContact CE-CG 4.2Å; M435-L613 HydrophobicContact CG-CD1 3.73Å; M435-L613 HydrophobicContact SD-CB 4.03Å; M435-L613 HydrophobicContact SD-CD1 3.47Å; M435-L613 WeakPolarHBondContact SD-CD1 3.17Å; M435-L613 HydrophobicContact SD-CG 4.35Å; V609-L613 HydrophobicContact CG1-CB 4.39Å; N610-L613 PolarHBondContact O-N 2.95Å; L613-M615 PolarHBondContact O-N 3.33Å; L613-V616 HydrophobicContact CD2-CB 4.18Å; L613-V616 HydrophobicContact CD2-CG2 4.4Å; L613-V616 PolarHBondContact O-N 2.68Å; L613-L617 WeakPolarHBondContact O-CB 3.47Å; L613-L617 WeakPolarHBondContact O-CG 3.36Å; L613-L617 PolarHBondContact O-N 2.77Å
614	Y	60.7	Low	62.5	Low	77 Å²	77	55.5 Å²	55.5	30%	0.302	29%	0.285	S	S	.	.	H	α-helix	trans	-57.3	-36.9	168.2	-179.3	-93.3	0	0	0	110.4	R442 N610 A611 K618	R442-Y614 VanDerWaalsContact CZ-CE2 3.44Å; R442-Y614 VanDerWaalsContact NH1-CD2 3.26Å; N610-Y614 PolarHBondContact O-N 3.25Å; N610-Y614 VanDerWaalsContact O-N 3.12Å; A611-Y614 PolarHBondContact O-N 2.91Å; Y614-K618 HydrophobicContact CE1-CD 3.92Å; Y614-K618 WeakPolarHBondContact O-CB 3.48Å; Y614-K618 PolarHBondContact O-N 3.25Å
615	M	62.2	Low	61.3	Low	105 Å²	105	52.6 Å²	52.6	52%	0.517	27%	0.273	S	S	.	.	H	α-helix	trans	-66.6	-46.2	173.2	-65.8	-69.7	-165.5	0	0	112.2	A611 E612 L613 L617 K618 N619	A611-M615 WeakPolarHBondContact O-CG 3.45Å; A611-M615 PolarHBondContact O-N 3.09Å; E612-M615 WeakPolarHBondContact O-CA 3.26Å; E612-M615 VanDerWaalsContact O-CB 3.27Å; E612-M615 WeakPolarHBondContact O-CB 3.35Å; E612-M615 PolarHBondContact O-N 3.07Å; E612-M615 VanDerWaalsContact O-N 3.16Å; L613-M615 PolarHBondContact O-N 3.33Å; M615-L617 VanDerWaalsContact C-N 3.34Å; M615-L617 PolarHBondContact O-N 3.28Å; M615-K618 PolarHBondContact O-N 2.9Å; M615-N619 PolarHBondContact O-N 2.82Å; M615-N619 PolarHBondContact O-ND2 2.92Å; M615-N619 PolarHBondContact O-OD1 3.3Å
616	V	61.5	Low	59.8	Low	17 Å²	17	52.9 Å²	52.9	10%	0.103	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-45.7	176.3	175.8	0	0	0	0	111.1	L398 D402 I403 E612 L613 N619 S620	L398-V616 HydrophobicContact CD2-CG1 4.23Å; D402-V616 HydrophobicContact CB-CG2 4.23Å; I403-V616 HydrophobicContact CD1-CG1 4.18Å; I403-V616 HydrophobicContact CG1-CG1 3.81Å; E612-V616 WeakPolarHBondContact O-CG2 3.28Å; E612-V616 PolarHBondContact O-N 2.7Å; L613-V616 HydrophobicContact CD2-CB 4.18Å; L613-V616 HydrophobicContact CD2-CG2 4.4Å; L613-V616 PolarHBondContact O-N 2.68Å; V616-N619 PolarHBondContact O-N 3.11Å; V616-S620 PolarHBondContact O-N 3.4Å
617	L	63.8	Low	58.8	Low	9 Å²	9	53.4 Å²	53.4	5%	0.047	28%	0.275	C	S	.	.	H	α-helix	trans	-66.1	-39.8	175.4	-72.3	178.1	0	0	0	112.4	L398 M435 I439 L613 M615 N619 S620 M623	L398-L617 HydrophobicContact CD2-CD2 4.36Å; M435-L617 HydrophobicContact CE-CD1 3.44Å; M435-L617 VanDerWaalsContact CE-CD1 3.44Å; M435-L617 HydrophobicContact CE-CD2 4.17Å; M435-L617 HydrophobicContact CE-CG 3.82Å; M435-L617 HydrophobicContact SD-CD1 4.4Å; I439-L617 HydrophobicContact CD1-CD1 4.45Å; I439-L617 HydrophobicContact CD1-CD2 4.02Å; I439-L617 HydrophobicContact CG1-CD1 4.05Å; I439-L617 HydrophobicContact CG1-CD2 4.3Å; L613-L617 WeakPolarHBondContact O-CB 3.47Å; L613-L617 WeakPolarHBondContact O-CG 3.36Å; L613-L617 PolarHBondContact O-N 2.77Å; M615-L617 VanDerWaalsContact C-N 3.34Å; M615-L617 PolarHBondContact O-N 3.28Å; L617-N619 PolarHBondContact O-N 3.01Å; L617-S620 WeakPolarHBondContact O-CB 3.39Å; L617-S620 PolarHBondContact O-N 2.91Å; L617-S620 VanDerWaalsContact O-N 3.14Å; L617-M623 HydrophobicContact CD2-CE 4.16Å
618	K	66.7	Low	58	Low	72 Å²	72	54.6 Å²	54.6	31%	0.313	29%	0.287	S	S	.	.	H	α-helix	trans	-65.1	-25.3	176.7	-173.8	171.9	179.7	171	0	111.8	Y614 M615 K627	Y614-K618 HydrophobicContact CE1-CD 3.92Å; Y614-K618 WeakPolarHBondContact O-CB 3.48Å; Y614-K618 PolarHBondContact O-N 3.25Å; M615-K618 PolarHBondContact O-N 2.9Å; K618-K627 WeakPolarHBondContact O-CE 3.41Å; K618-K627 PolarHBondContact O-NZ 2.9Å
619	N	67.4	Low	57.2	Low	127 Å²	127	52.2 Å²	52.2	68%	0.679	27%	0.269	S	S	*	.	H	α-helix	trans	-80.8	-18.4	175.4	-67.9	-14.8	0	0	0	113.4	M615 V616 L617	M615-N619 PolarHBondContact O-N 2.82Å; M615-N619 PolarHBondContact O-ND2 2.92Å; M615-N619 PolarHBondContact O-OD1 3.3Å; V616-N619 PolarHBondContact O-N 3.11Å; L617-N619 PolarHBondContact O-N 3.01Å
620	S	66.1	Low	56.4	Low	2 Å²	2	59.5 Å²	59.5	1%	0.014	30%	0.3	C	S	.	.			trans	-64.8	133.2	175	168.9	0	0	0	0	112	L396 V616 L617 V622 K627	L396-S620 WeakPolarHBondContact O-CB 3.34Å; L396-S620 PolarHBondContact O-OG 3.2Å; V616-S620 PolarHBondContact O-N 3.4Å; L617-S620 WeakPolarHBondContact O-CB 3.39Å; L617-S620 PolarHBondContact O-N 2.91Å; L617-S620 VanDerWaalsContact O-N 3.14Å; S620-V622 PolarHBondContact OG-N 3.08Å; S620-K627 WeakPolarHBondContact O-CE 3.45Å; S620-K627 PolarHBondContact O-NZ 2.76Å
621	K	63.3	Low	55.5	Low	163 Å²	163	63.8 Å²	63.8	71%	0.709	33%	0.327	S	S	*	.	S	Bend	trans	-75.7	-29.2	177.1	-67.7	-175.9	-179	179.8	0	113.5	M397 M623	M397-K621 HydrophobicContact SD-CB 3.96Å; K621-M623 VanDerWaalsContact C-N 3.28Å; K621-M623 PolarHBondContact O-N 3.13Å
622	V	57.2	Low	54.1	Low	9 Å²	9	65.9 Å²	65.9	6%	0.055	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-25.4	-178	-178.7	0	0	0	0	111.6	R354 I355 M397 S620 Q624 P625	R354-V622 HydrophobicContact CB-CG1 4.21Å; I355-V622 HydrophobicContact CD1-CG1 4.49Å; I355-V622 HydrophobicContact CG1-CG1 4.01Å; M397-V622 HydrophobicContact CB-CG2 3.99Å; M397-V622 HydrophobicContact CE-CG2 3.96Å; M397-V622 HydrophobicContact CG-CG2 3.49Å; M397-V622 VanDerWaalsContact CG-CG2 3.49Å; M397-V622 HydrophobicContact SD-CG2 3.49Å; M397-V622 WeakPolarHBondContact SD-CG2 3.5Å; S620-V622 PolarHBondContact OG-N 3.08Å; V622-Q624 PolarHBondContact O-N 2.99Å; V622-P625 WeakPolarHBondContact O-CD 3.49Å
623	M	57.3	Low	52.7	Low	6 Å²	6	66 Å²	66	3%	0.03	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	14.4	-176.8	-73	-90.4	176.3	0	0	114.1	I355 L396 I439 L617 K621 P625 A626 K627	I355-M623 HydrophobicContact CD1-SD 4.32Å; I355-M623 HydrophobicContact CG1-CE 4.33Å; I355-M623 HydrophobicContact CG2-CE 4.15Å; L396-M623 HydrophobicContact CD2-CE 3.94Å; I439-M623 HydrophobicContact CB-CE 4.46Å; I439-M623 HydrophobicContact CD1-CE 4.12Å; I439-M623 HydrophobicContact CG1-CE 4.09Å; I439-M623 HydrophobicContact CG2-CE 3.57Å; I439-M623 HydrophobicContact CG2-SD 4.36Å; L617-M623 HydrophobicContact CD2-CE 4.16Å; K621-M623 VanDerWaalsContact C-N 3.28Å; K621-M623 PolarHBondContact O-N 3.13Å; M623-P625 VanDerWaalsContact C-CD 3.41Å; M623-P625 VanDerWaalsContact C-N 3.26Å; M623-A626 HydrophobicContact CB-CB 4.26Å; M623-A626 CarbonylContact O-C 3.3Å; M623-A626 WeakPolarHBondContact O-CA 3.24Å; M623-A626 PolarHBondContact O-N 2.71Å; M623-A626 HydrophobicContact SD-CB 3.53Å; M623-A626 VanDerWaalsContact SD-CB 3.53Å; M623-K627 VanDerWaalsContact O-CG 3.26Å; M623-K627 WeakPolarHBondContact O-CG 3.43Å; M623-K627 PolarHBondContact O-N 3.07Å
624	Q	57.9	Low	51.2	Low	137 Å²	137	67.2 Å²	67.2	64%	0.64	36%	0.362	S	S	*	.	H	α-helix	trans	-50.4	-41.4	171.8	-73.4	-175.3	41.5	0	0	113.4	V622 A626 K627 S628	V622-Q624 PolarHBondContact O-N 2.99Å; Q624-A626 PolarHBondContact O-N 3.38Å; Q624-K627 PolarHBondContact O-N 2.93Å; Q624-S628 PolarHBondContact O-N 3.5Å; Q624-S628 PolarHBondContact O-OG 3.38Å
625	P	51.9	Low	49.7	Very low	9 Å²	9	72.2 Å²	72.2	6%	0.058	39%	0.385	C	S	.	.	H	α-helix	trans	-52.5	-54.1	167.6	-28.5	38.5	0	0	0	111.8	W446 V622 M623 K627 S628	W446-P625 VanDerWaalsContact CB-O 3.23Å; W446-P625 WeakPolarHBondContact CB-O 3.4Å; W446-P625 VanDerWaalsContact CD1-C 3.5Å; W446-P625 HydrophobicContact CD2-CB 3.44Å; W446-P625 VanDerWaalsContact CD2-CB 3.44Å; W446-P625 HydrophobicContact CD2-CG 4.46Å; W446-P625 VanDerWaalsContact CE2-CA 3.45Å; W446-P625 HydrophobicContact CE3-CB 3.64Å; W446-P625 VanDerWaalsContact CG-C 3.43Å; W446-P625 HydrophobicContact CG-CB 3.89Å; W446-P625 HydrophobicContact CH2-CB 4.06Å; W446-P625 HydrophobicContact CH2-CG 4.13Å; W446-P625 HydrophobicContact CZ2-CB 3.91Å; W446-P625 HydrophobicContact CZ2-CG 4.09Å; W446-P625 HydrophobicContact CZ3-CB 3.96Å; W446-P625 HydrophobicContact CZ3-CG 4.38Å; V622-P625 WeakPolarHBondContact O-CD 3.49Å; M623-P625 VanDerWaalsContact C-CD 3.41Å; M623-P625 VanDerWaalsContact C-N 3.26Å; P625-K627 PolarHBondContact O-N 2.93Å; P625-K627 VanDerWaalsContact O-N 3.13Å; P625-S628 PolarHBondContact O-OG 3.44Å
626	A	48.9	Very low	47.9	Very low	6 Å²	6	74.2 Å²	74.2	5%	0.05	40%	0.398	C	S	.	.	H	α-helix	trans	-73.6	-3.3	-179.8	0	0	0	0	0	115.9	R442 M623 Q624	R442-A626 HydrophobicContact CB-CB 3.92Å; M623-A626 HydrophobicContact CB-CB 4.26Å; M623-A626 CarbonylContact O-C 3.3Å; M623-A626 WeakPolarHBondContact O-CA 3.24Å; M623-A626 PolarHBondContact O-N 2.71Å; M623-A626 HydrophobicContact SD-CB 3.53Å; M623-A626 VanDerWaalsContact SD-CB 3.53Å; Q624-A626 PolarHBondContact O-N 3.38Å
627	K	50.2	Low	46.2	Very low	68 Å²	68	77.5 Å²	77.5	30%	0.296	42%	0.422	S	S	.	.	H	α-helix	trans	-95.3	-35.9	179.5	-75.7	177.2	-157.7	-170.9	0	113.2	K618 S620 M623 Q624 P625 T629	K618-K627 WeakPolarHBondContact O-CE 3.41Å; K618-K627 PolarHBondContact O-NZ 2.9Å; S620-K627 WeakPolarHBondContact O-CE 3.45Å; S620-K627 PolarHBondContact O-NZ 2.76Å; M623-K627 VanDerWaalsContact O-CG 3.26Å; M623-K627 WeakPolarHBondContact O-CG 3.43Å; M623-K627 PolarHBondContact O-N 3.07Å; Q624-K627 PolarHBondContact O-N 2.93Å; P625-K627 PolarHBondContact O-N 2.93Å; P625-K627 VanDerWaalsContact O-N 3.13Å; K627-T629 PolarHBondContact O-N 3.44Å
628	S	43.3	Very low	44.3	Very low	65 Å²	65	85.2 Å²	85.2	46%	0.455	46%	0.463	S	S	.	.			trans	-84.4	-5.9	-163	52.1	0	0	0	0	115.7	W446 Q624 P625 H630	W446-S628 PolarHBondContact NE1-OG 2.96Å; W446-S628 VanDerWaalsContact NE1-OG 3.13Å; Q624-S628 PolarHBondContact O-N 3.5Å; Q624-S628 PolarHBondContact O-OG 3.38Å; P625-S628 PolarHBondContact O-OG 3.44Å; S628-H630 PolarHBondContact O-N 3.22Å
629	T	39.2	Very low	42.3	Very low	16 Å²	16	86.6 Å²	86.6	10%	0.098	48%	0.481	C	S	.	.	S	Bend	trans	-56.5	130.6	172.9	56.1	0	0	0	0	109.3	A445 W446 D449 K627 V631	A445-T629 HydrophobicContact CB-CG2 4.08Å; W446-T629 HydrophobicContact CB-CG2 4.08Å; D449-T629 WeakPolarHBondContact OD2-CG2 3.25Å; K627-T629 PolarHBondContact O-N 3.44Å; T629-V631 PolarHBondContact O-N 2.8Å
630	H	38.1	Very low	40.3	Very low	192 Å²	192	89.5 Å²	89.5	89%	0.889	49%	0.49	S	S	*	.	S	Bend	trans	-56.9	23.2	-175.7	-93.7	-85.2	0	0	0	116.9	S628 D632	S628-H630 PolarHBondContact O-N 3.22Å; H630-D632 PolarHBondContact O-N 2.94Å
631	V	39.2	Very low	38.3	Very low	125 Å²	125	93 Å²	93	76%	0.758	53%	0.526	S	S	*	.			trans	-77.5	2.6	166.4	-155.8	0	0	0	0	111.7	T629 G633	T629-V631 PolarHBondContact O-N 2.8Å; V631-G633 PolarHBondContact O-N 3.32Å
632	D	30	Very low	36.6	Very low	109 Å²	109	90.1 Å²	90.1	58%	0.583	53%	0.526	S	S	*	.			trans	-68.6	20	174.1	-96.7	-10.9	0	0	0	114.6	H630 G634	H630-D632 PolarHBondContact O-N 2.94Å; D632-G634 PolarHBondContact O-N 3.11Å
633	G	25.2	Very low	35.3	Very low	70 Å²	70	99.1 Å²	99.1	72%	0.722	57%	0.568	S	S	*	*	S	Bend	trans	-61.7	72.2	160.5	0	0	0	0	0	113	V631	V631-G633 PolarHBondContact O-N 3.32Å
634	G	25.4	Very low	34	Very low	27 Å²	27	102.1 Å²	102.1	28%	0.278	59%	0.594	S	S	.	*	S	Bend	trans	106.4	55.7	143.9	0	0	0	0	0	117.6	D632 K647	D632-G634 PolarHBondContact O-N 3.11Å; G634-K647 PolarHBondContact O-NZ 3.5Å
635	F	28.8	Very low	32.7	Very low	182 Å²	182	101.2 Å²	101.2	80%	0.798	60%	0.6	S	S	*	*	S	Bend	trans	-113.4	-13.1	147.3	-98.2	-83.8	0	0	0	114.3	S637	F635-S637 PolarHBondContact O-N 3.26Å
636	N	24.9	Very low	32	Very low	148 Å²	148	108.1 Å²	108.1	79%	0.791	64%	0.636	S	S	*	*	S	Bend	trans	-97.5	72	173.1	-85.1	6.7	0	0	0	111.2
637	S	25.2	Very low	31.6	Very low	85 Å²	85	114.8 Å²	114.8	59%	0.594	66%	0.664	S	S	*	*			trans	-153	117.6	158.4	-46.5	0	0	0	0	108.9	F635 C639	F635-S637 PolarHBondContact O-N 3.26Å; S637-C639 VanDerWaalsContact CB-SG 3.57Å; S637-C639 PolarHBondContact O-N 2.94Å
638	N	24.3	Very low	31.5	Very low	172 Å²	172	117.4 Å²	117.4	92%	0.92	68%	0.677	S	S	*	*			trans	-63.5	53.6	166.9	-94.9	-6.5	0	0	0	111.7	Q640	N638-Q640 VanDerWaalsContact C-N 3.32Å; N638-Q640 PolarHBondContact O-N 2.68Å; N638-Q640 VanDerWaalsContact O-N 3.1Å
639	C	24	Very low	31.9	Very low	100 Å²	100	122.3 Å²	122.3	68%	0.676	69%	0.69	S	S	*	*			trans	-85.9	82.4	173.8	-61.9	0	0	0	0	108.2	S637	S637-C639 VanDerWaalsContact CB-SG 3.57Å; S637-C639 PolarHBondContact O-N 2.94Å
640	Q	26.4	Very low	32.9	Very low	189 Å²	189	125.2 Å²	125.2	88%	0.883	71%	0.705	S	S	*	*			trans	-54.1	132.3	158.4	-67.2	174.6	-15.2	0	0	108.7	N638	N638-Q640 VanDerWaalsContact C-N 3.32Å; N638-Q640 PolarHBondContact O-N 2.68Å; N638-Q640 VanDerWaalsContact O-N 3.1Å
641	G	23.5	Very low	34.7	Very low	74 Å²	74	116.4 Å²	116.4	76%	0.763	67%	0.665	S	S	*	*	S	Bend	trans	77.8	69.9	160.6	0	0	0	0	0	116
642	S	27.5	Very low	36.3	Very low	103 Å²	103	111.9 Å²	111.9	72%	0.72	64%	0.638	S	S	*	*			trans	-164.4	136.7	143.4	11.6	0	0	0	0	108.2	A644	S642-A644 PolarHBondContact O-N 3.4Å
643	Q	30.2	Very low	38.5	Very low	199 Å²	199	106.8 Å²	106.8	93%	0.93	61%	0.61	S	S	*	*			trans	-62.5	77.1	173.1	-68.3	171.4	-13.4	0	0	109
644	A	30.7	Very low	41.2	Very low	69 Å²	69	105.8 Å²	105.8	57%	0.57	59%	0.586	S	S	*	*			trans	-66.8	120.3	170.2	0	0	0	0	0	106.5	S642 N646	S642-A644 PolarHBondContact O-N 3.4Å; A644-N646 PolarHBondContact O-N 3.27Å; A644-N646 VanDerWaalsContact O-N 3.15Å
645	P	30.6	Very low	43.9	Very low	117 Å²	117	108.4 Å²	108.4	76%	0.76	59%	0.59	S	S	*	*			trans	-58.3	125.7	-175.1	23.3	-31.3	0	0	0	108.1	K647	P645-K647 PolarHBondContact O-N 2.85Å
646	N	36.4	Very low	46.4	Very low	155 Å²	155	100 Å²	100	83%	0.829	55%	0.553	S	S	*	*			trans	-10.2	92.9	172	-119.8	-9.2	0	0	0	111.7	A644 Q648	A644-N646 PolarHBondContact O-N 3.27Å; A644-N646 VanDerWaalsContact O-N 3.15Å; N646-Q648 PolarHBondContact O-N 3.42Å
647	K	41.4	Very low	49.3	Very low	145 Å²	145	95.6 Å²	95.6	63%	0.63	53%	0.525	S	S	*	.			trans	-55.2	105.7	-178.3	-81.5	-175.3	177.5	-172.9	0	107.4	G634 P645 K649	G634-K647 PolarHBondContact O-NZ 3.5Å; P645-K647 PolarHBondContact O-N 2.85Å; K647-K649 PolarHBondContact O-N 3.49Å
648	Q	46.3	Very low	52.2	Low	124 Å²	124	96.9 Å²	96.9	58%	0.579	52%	0.522	S	S	*	.			trans	-60	131.5	-165.3	-65.9	169.7	-3.1	0	0	109.1	N646 L650	N646-Q648 PolarHBondContact O-N 3.42Å; Q648-L650 PolarHBondContact O-N 3.16Å
649	K	52.3	Low	55.1	Low	167 Å²	167	90.3 Å²	90.3	73%	0.726	49%	0.49	S	S	*	.			trans	-60.8	108.4	165.7	-71.3	179.6	179.1	177.4	0	106.8	K647 T651	K647-K649 PolarHBondContact O-N 3.49Å; K649-T651 PolarHBondContact O-N 3.22Å
650	L	60.7	Low	58.1	Low	77 Å²	77	86.1 Å²	86.1	40%	0.403	46%	0.46	S	S	.	.			trans	-74.8	116.1	-179.4	-59.2	171.4	0	0	0	108.4	Q648 F654 K655	Q648-L650 PolarHBondContact O-N 3.16Å; L650-F654 HydrophobicContact CB-CD1 4.48Å; L650-F654 HydrophobicContact CD2-CD1 3.43Å; L650-F654 VanDerWaalsContact CD2-CD1 3.43Å; L650-F654 HydrophobicContact CD2-CE1 3.42Å; L650-F654 VanDerWaalsContact CD2-CE1 3.42Å; L650-F654 HydrophobicContact CD2-CG 4.42Å; L650-F654 HydrophobicContact CD2-CZ 4.4Å; L650-F654 HydrophobicContact CG-CD1 4.5Å; L650-K655 HydrophobicContact CB-CD 4.49Å; L650-K655 HydrophobicContact CB-CG 4.02Å
651	T	74.8	Confident	61	Low	8 Å²	8	83 Å²	83	5%	0.049	45%	0.445	C	S	.	.			trans	-74.5	165.1	174.8	57.2	0	0	0	0	110.9	D544 C547 N605 K649 A653 F654 K655	D544-T651 HydrophobicContact CB-CG2 4.47Å; D544-T651 VanDerWaalsContact OD1-CB 3.24Å; D544-T651 WeakPolarHBondContact OD1-CB 3.47Å; D544-T651 WeakPolarHBondContact OD1-CG2 3.26Å; D544-T651 PolarHBondContact OD1-OG1 2.78Å; D544-T651 PolarHBondContact OD2-OG1 2.98Å; C547-T651 HydrophobicContact CB-CG2 3.94Å; N605-T651 WeakPolarHBondContact ND2-CB 3.49Å; K649-T651 PolarHBondContact O-N 3.22Å; T651-A653 VanDerWaalsContact C-N 3.34Å; T651-F654 PolarHBondContact O-N 3.16Å; T651-F654 WeakPolarHBondContact OG1-CB 3.48Å; T651-F654 PolarHBondContact OG1-N 3.34Å; T651-K655 WeakPolarHBondContact O-CG 3.49Å; T651-K655 PolarHBondContact O-N 2.88Å; T651-K655 VanDerWaalsContact O-N 3.09Å
652	V	73	Confident	64.1	Low	30 Å²	30	82.4 Å²	82.4	18%	0.182	43%	0.434	C	S	.	.	H	α-helix	trans	-60.2	-47.4	176	179.5	0	0	0	0	110.5	K604 N605 D607 F654 K655 F656	K604-V652 WeakPolarHBondContact O-CG2 3.41Å; N605-V652 PolarHBondContact O-N 3.31Å; N605-V652 VanDerWaalsContact O-N 3.12Å; N605-V652 PolarHBondContact OD1-N 2.99Å; D607-V652 HydrophobicContact CB-CG2 3.71Å; V652-F654 VanDerWaalsContact C-N 3.34Å; V652-F654 PolarHBondContact O-N 3.11Å; V652-K655 PolarHBondContact O-N 3.24Å; V652-F656 WeakPolarHBondContact O-CB 3.44Å; V652-F656 PolarHBondContact O-N 2.81Å
653	A	77.4	Confident	67	Low	1 Å²	1	77.7 Å²	77.7	1%	0.008	40%	0.4	C	S	.	.	H	α-helix	trans	-55.4	-47.1	177	0	0	0	0	0	112.1	Y540 N605 T651 F656 R657	Y540-A653 HydrophobicContact CD1-CB 3.37Å; Y540-A653 HydrophobicContact CE1-CB 3.5Å; Y540-A653 VanDerWaalsContact CE1-CB 3.5Å; Y540-A653 HydrophobicContact CG-CB 4.36Å; N605-A653 WeakPolarHBondContact OD1-CB 3.45Å; N605-A653 PolarHBondContact OD1-N 3.14Å; T651-A653 VanDerWaalsContact C-N 3.34Å; A653-F656 PolarHBondContact O-N 2.75Å; A653-R657 WeakPolarHBondContact O-CB 3.45Å; A653-R657 PolarHBondContact O-N 2.97Å
654	F	82.2	Confident	69.8	Low	50 Å²	50	71.1 Å²	71.1	22%	0.219	37%	0.369	C	S	.	.	H	α-helix	trans	-62.9	-47.6	179.3	-174.4	-88.9	0	0	0	112.3	L650 T651 V652 F656 R657 Q658	L650-F654 HydrophobicContact CB-CD1 4.48Å; L650-F654 HydrophobicContact CD2-CD1 3.43Å; L650-F654 VanDerWaalsContact CD2-CD1 3.43Å; L650-F654 HydrophobicContact CD2-CE1 3.42Å; L650-F654 VanDerWaalsContact CD2-CE1 3.42Å; L650-F654 HydrophobicContact CD2-CG 4.42Å; L650-F654 HydrophobicContact CD2-CZ 4.4Å; L650-F654 HydrophobicContact CG-CD1 4.5Å; T651-F654 PolarHBondContact O-N 3.16Å; T651-F654 WeakPolarHBondContact OG1-CB 3.48Å; T651-F654 PolarHBondContact OG1-N 3.34Å; V652-F654 VanDerWaalsContact C-N 3.34Å; V652-F654 PolarHBondContact O-N 3.11Å; F654-F656 VanDerWaalsContact C-N 3.26Å; F654-F656 PolarHBondContact O-N 3.38Å; F654-R657 PolarHBondContact O-N 3.23Å; F654-Q658 PolarHBondContact O-N 2.62Å
655	K	81.3	Confident	72.5	Confident	81 Å²	81	70.7 Å²	70.7	35%	0.352	36%	0.361	S	S	.	.	H	α-helix	trans	-59.8	-40.5	177.3	-70.8	178.5	-177.9	179.5	0	111.5	D607 L650 T651 V652 Q658 S659	D607-K655 IonicContact OD2-NZ 3.73Å; D607-K655 PolarHBondContact OD2-NZ 3.48Å; L650-K655 HydrophobicContact CB-CD 4.49Å; L650-K655 HydrophobicContact CB-CG 4.02Å; T651-K655 WeakPolarHBondContact O-CG 3.49Å; T651-K655 PolarHBondContact O-N 2.88Å; T651-K655 VanDerWaalsContact O-N 3.09Å; V652-K655 PolarHBondContact O-N 3.24Å; K655-Q658 PolarHBondContact O-N 3.4Å; K655-S659 PolarHBondContact O-N 3.22Å; K655-S659 PolarHBondContact O-OG 3.06Å
656	F	82.1	Confident	75.3	Confident	6 Å²	6	66.8 Å²	66.8	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-69.7	-40.5	178.7	-177.6	-115.5	0	0	0	112.5	L269 Y473 C487 Y490 A491 V652 A653 F654 Q658 S659 L660	L269-F656 HydrophobicContact CB-CD2 3.99Å; L269-F656 HydrophobicContact CB-CE2 3.66Å; L269-F656 HydrophobicContact CB-CZ 4.48Å; L269-F656 HydrophobicContact CD1-CD2 3.67Å; L269-F656 HydrophobicContact CD1-CE2 3.89Å; L269-F656 HydrophobicContact CD1-CG 4Å; L269-F656 HydrophobicContact CD1-CZ 4.36Å; L269-F656 HydrophobicContact CD2-CE2 4.1Å; L269-F656 HydrophobicContact CD2-CZ 4.1Å; L269-F656 HydrophobicContact CG-CD2 4.32Å; L269-F656 HydrophobicContact CG-CE2 4.1Å; Y473-F656 VanDerWaalsContact OH-CZ 3.25Å; Y473-F656 WeakPolarHBondContact OH-CZ 3.2Å; C487-F656 HydrophobicContact CB-CD1 3.79Å; C487-F656 HydrophobicContact CB-CE1 3.51Å; C487-F656 HydrophobicContact CB-CZ 4.16Å; C487-F656 VanDerWaalsContact O-CE1 3.23Å; C487-F656 WeakPolarHBondContact O-CE1 3.25Å; Y490-F656 HydrophobicContact CD1-CD1 4.42Å; Y490-F656 HydrophobicContact CD1-CE1 4.03Å; A491-F656 HydrophobicContact CB-CZ 3.96Å; V652-F656 WeakPolarHBondContact O-CB 3.44Å; V652-F656 PolarHBondContact O-N 2.81Å; A653-F656 PolarHBondContact O-N 2.75Å; F654-F656 VanDerWaalsContact C-N 3.26Å; F654-F656 PolarHBondContact O-N 3.38Å; F656-Q658 VanDerWaalsContact C-N 3.32Å; F656-Q658 PolarHBondContact O-N 2.97Å; F656-S659 PolarHBondContact O-N 2.7Å; F656-S659 PolarHBondContact O-OG 3.39Å; F656-L660 HydrophobicContact CD1-CD1 3.87Å; F656-L660 HydrophobicContact CD2-CG 4.39Å; F656-L660 HydrophobicContact CE1-CD1 3.29Å; F656-L660 HydrophobicContact CE1-CG 4.14Å; F656-L660 HydrophobicContact CE2-CD1 4.01Å; F656-L660 HydrophobicContact CE2-CD2 4.32Å; F656-L660 HydrophobicContact CE2-CG 3.96Å; F656-L660 HydrophobicContact CG-CD1 4.46Å; F656-L660 HydrophobicContact CZ-CD1 3.41Å; F656-L660 VanDerWaalsContact CZ-CD1 3.41Å; F656-L660 HydrophobicContact CZ-CD2 4.22Å; F656-L660 HydrophobicContact CZ-CG 3.86Å; F656-L660 WeakPolarHBondContact O-CB 3.44Å; F656-L660 WeakPolarHBondContact O-CG 3.48Å; F656-L660 PolarHBondContact O-N 2.93Å
657	R	85.1	Confident	77.7	Confident	56 Å²	56	59.4 Å²	59.4	21%	0.211	30%	0.295	C	S	.	.	H	α-helix	trans	-58.5	-46.2	172.6	-170.7	175.2	87.1	-173.9	1.4	110.8	D541 A653 F654 L660 E661	D541-R657 IonicContact OD1-CZ 3.99Å; D541-R657 IonicContact OD1-NH1 2.85Å; D541-R657 PolarHBondContact OD1-NH1 2.75Å; D541-R657 IonicContact OD1-NH2 3.31Å; A653-R657 WeakPolarHBondContact O-CB 3.45Å; A653-R657 PolarHBondContact O-N 2.97Å; F654-R657 PolarHBondContact O-N 3.23Å; R657-L660 PolarHBondContact O-N 3.17Å; R657-E661 WeakPolarHBondContact O-CB 3.41Å; R657-E661 PolarHBondContact O-N 2.88Å
658	Q	86.2	Confident	79.9	Confident	111 Å²	111	55.9 Å²	55.9	52%	0.519	28%	0.283	S	S	.	.	H	α-helix	trans	-64	-42.2	179.1	-171.8	177.2	43.9	0	0	112.5	F654 K655 F656 E661 A662	F654-Q658 PolarHBondContact O-N 2.62Å; K655-Q658 PolarHBondContact O-N 3.4Å; F656-Q658 VanDerWaalsContact C-N 3.32Å; F656-Q658 PolarHBondContact O-N 2.97Å; Q658-E661 PolarHBondContact O-N 3.42Å; Q658-A662 WeakPolarHBondContact O-CB 3.49Å; Q658-A662 PolarHBondContact O-N 3.09Å
659	S	85.9	Confident	81.8	Confident	35 Å²	35	56 Å²	56	25%	0.245	28%	0.283	C	S	.	.	H	α-helix	trans	-67.3	-37.5	177.5	67.3	0	0	0	0	112	K655 F656 L663	K655-S659 PolarHBondContact O-N 3.22Å; K655-S659 PolarHBondContact O-OG 3.06Å; F656-S659 PolarHBondContact O-N 2.7Å; F656-S659 PolarHBondContact O-OG 3.39Å; S659-L663 WeakPolarHBondContact O-CB 3.28Å; S659-L663 PolarHBondContact O-N 3.41Å
660	L	86.2	Confident	83.5	Confident	11 Å²	11	48 Å²	48	6%	0.058	25%	0.249	C	C	.	.	H	α-helix	trans	-67.4	-37.5	172.8	-77.2	178.4	0	0	0	113	Y490 A491 F656 R657 L663 K664	Y490-L660 HydrophobicContact CD1-CD1 3.55Å; Y490-L660 HydrophobicContact CE1-CD1 3.38Å; A491-L660 HydrophobicContact CB-CD1 3.86Å; A491-L660 HydrophobicContact CB-CD2 3.86Å; F656-L660 HydrophobicContact CD1-CD1 3.87Å; F656-L660 HydrophobicContact CD2-CG 4.39Å; F656-L660 HydrophobicContact CE1-CD1 3.29Å; F656-L660 HydrophobicContact CE1-CG 4.14Å; F656-L660 HydrophobicContact CE2-CD1 4.01Å; F656-L660 HydrophobicContact CE2-CD2 4.32Å; F656-L660 HydrophobicContact CE2-CG 3.96Å; F656-L660 HydrophobicContact CG-CD1 4.46Å; F656-L660 HydrophobicContact CZ-CD1 3.41Å; F656-L660 VanDerWaalsContact CZ-CD1 3.41Å; F656-L660 HydrophobicContact CZ-CD2 4.22Å; F656-L660 HydrophobicContact CZ-CG 3.86Å; F656-L660 WeakPolarHBondContact O-CB 3.44Å; F656-L660 WeakPolarHBondContact O-CG 3.48Å; F656-L660 PolarHBondContact O-N 2.93Å; R657-L660 PolarHBondContact O-N 3.17Å; L660-L663 HydrophobicContact CD2-CD2 4.41Å; L660-L663 PolarHBondContact O-N 2.93Å; L660-K664 WeakPolarHBondContact O-CB 3.47Å; L660-K664 PolarHBondContact O-N 3.45Å
661	E	87.7	Confident	84.9	Confident	123 Å²	123	46.3 Å²	46.3	58%	0.575	24%	0.239	S	C	*	.	H	α-helix	trans	-66.2	-41.7	176.5	-172	174	-167.5	0	0	111.2	R657 Q658 K664 S665	R657-E661 WeakPolarHBondContact O-CB 3.41Å; R657-E661 PolarHBondContact O-N 2.88Å; Q658-E661 PolarHBondContact O-N 3.42Å; E661-K664 PolarHBondContact O-N 3.43Å; E661-S665 WeakPolarHBondContact O-CB 3.26Å; E661-S665 PolarHBondContact O-N 2.78Å
662	A	88.3	Confident	85.7	Confident	62 Å²	62	46 Å²	46	51%	0.512	24%	0.237	S	C	.	.	H	α-helix	trans	-61	-46.2	172.6	0	0	0	0	0	111.5	Q658 S665 L666	Q658-A662 WeakPolarHBondContact O-CB 3.49Å; Q658-A662 PolarHBondContact O-N 3.09Å; A662-S665 PolarHBondContact O-N 2.84Å; A662-L666 WeakPolarHBondContact O-CB 3.39Å; A662-L666 PolarHBondContact O-N 3.44Å
663	L	88.3	Confident	86.6	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-46.3	175.6	178.5	61.6	0	0	0	111.3	F249 Y268 L470 S659 L660 S665 L666 L667	F249-L663 HydrophobicContact CD1-CD1 4.41Å; F249-L663 HydrophobicContact CG-CD1 4.43Å; Y268-L663 HydrophobicContact CE1-CB 3.96Å; Y268-L663 HydrophobicContact CE1-CD2 4.15Å; L470-L663 HydrophobicContact CD1-CD1 4.41Å; L470-L663 HydrophobicContact CD1-CD2 4.21Å; L470-L663 HydrophobicContact CD2-CD1 4.48Å; L470-L663 HydrophobicContact CD2-CD2 4.07Å; S659-L663 WeakPolarHBondContact O-CB 3.28Å; S659-L663 PolarHBondContact O-N 3.41Å; L660-L663 HydrophobicContact CD2-CD2 4.41Å; L660-L663 PolarHBondContact O-N 2.93Å; L663-S665 PolarHBondContact O-N 2.93Å; L663-L666 WeakPolarHBondContact O-CB 3.09Å; L663-L666 PolarHBondContact O-N 2.92Å; L663-L666 VanDerWaalsContact O-N 3.16Å; L663-L667 HydrophobicContact CD1-CD1 4.06Å; L663-L667 HydrophobicContact CD1-CD2 4.4Å; L663-L667 HydrophobicContact CD1-CG 4.03Å; L663-L667 HydrophobicContact CG-CD1 3.91Å; L663-L667 HydrophobicContact CG-CG 4.28Å; L663-L667 WeakPolarHBondContact O-CB 3.24Å; L663-L667 VanDerWaalsContact O-CG 3.25Å; L663-L667 WeakPolarHBondContact O-CG 3.23Å; L663-L667 PolarHBondContact O-N 2.99Å
664	K	88.2	Confident	87.4	Confident	62 Å²	62	44.8 Å²	44.8	27%	0.27	23%	0.229	S	C	.	.	H	α-helix	trans	-57.4	-49	177.1	177.9	-177.5	170.8	-123	0	111.2	V494 Q498 L660 E661 L666 L667 D668	V494-K664 HydrophobicContact CG1-CB 4.44Å; V494-K664 HydrophobicContact CG1-CD 3.96Å; V494-K664 HydrophobicContact CG1-CG 4.36Å; Q498-K664 HydrophobicContact CG-CG 4.35Å; Q498-K664 VanDerWaalsContact NE2-CE 3.27Å; Q498-K664 VanDerWaalsContact NE2-CG 3.35Å; L660-K664 WeakPolarHBondContact O-CB 3.47Å; L660-K664 PolarHBondContact O-N 3.45Å; E661-K664 PolarHBondContact O-N 3.43Å; K664-L666 VanDerWaalsContact C-N 3.26Å; K664-L666 PolarHBondContact O-N 3.28Å; K664-L667 PolarHBondContact O-N 3.46Å; K664-D668 VanDerWaalsContact O-CG 3.32Å; K664-D668 PolarHBondContact O-N 2.74Å
665	S	89.1	Confident	88.1	Confident	59 Å²	59	42.4 Å²	42.4	41%	0.413	22%	0.219	S	C	.	.	H	α-helix	trans	-59.7	-37.8	177	177.9	0	0	0	0	112	E661 A662 L663 Q669	E661-S665 WeakPolarHBondContact O-CB 3.26Å; E661-S665 PolarHBondContact O-N 2.78Å; A662-S665 PolarHBondContact O-N 2.84Å; L663-S665 PolarHBondContact O-N 2.93Å; S665-Q669 WeakPolarHBondContact O-CG 3.48Å; S665-Q669 PolarHBondContact O-NE2 2.96Å
666	L	88.1	Confident	88.8	Confident	35 Å²	35	39.1 Å²	39.1	18%	0.183	20%	0.204	C	C	.	.	H	α-helix	trans	-67.8	-47.1	176.3	-171.2	145.7	0	0	0	111.6	F249 Q251 F466 A662 L663 K664 D668 Q669 T670	F249-L666 HydrophobicContact CE1-CD1 4.17Å; F249-L666 HydrophobicContact CE1-CD2 3.48Å; F249-L666 VanDerWaalsContact CE1-CD2 3.48Å; F249-L666 HydrophobicContact CE1-CG 4.47Å; F249-L666 HydrophobicContact CZ-CD2 3.52Å; Q251-L666 VanDerWaalsContact NE2-CD1 3.25Å; F466-L666 HydrophobicContact CE2-CD2 4.03Å; F466-L666 HydrophobicContact CZ-CD2 3.8Å; F466-L666 HydrophobicContact CZ-CG 4.21Å; A662-L666 WeakPolarHBondContact O-CB 3.39Å; A662-L666 PolarHBondContact O-N 3.44Å; L663-L666 WeakPolarHBondContact O-CB 3.09Å; L663-L666 PolarHBondContact O-N 2.92Å; L663-L666 VanDerWaalsContact O-N 3.16Å; K664-L666 VanDerWaalsContact C-N 3.26Å; K664-L666 PolarHBondContact O-N 3.28Å; L666-D668 VanDerWaalsContact C-N 3.28Å; L666-D668 PolarHBondContact O-N 3.36Å; L666-Q669 PolarHBondContact O-N 3.16Å; L666-Q669 VanDerWaalsContact O-N 3.15Å; L666-T670 HydrophobicContact CD2-CG2 4.34Å; L666-T670 WeakPolarHBondContact O-CG2 3.43Å; L666-T670 PolarHBondContact O-N 3.26Å
667	L	88	Confident	89.4	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-65.2	-29.5	179.7	-66.6	176.4	0	0	0	112.8	I180 L470 L495 L663 K664 Q669 T670 L672	I180-L667 HydrophobicContact CD1-CD1 4.12Å; I180-L667 HydrophobicContact CD1-CD2 4.4Å; L470-L667 HydrophobicContact CD2-CD1 4.35Å; L495-L667 HydrophobicContact CD2-CD1 3.71Å; L663-L667 HydrophobicContact CD1-CD1 4.06Å; L663-L667 HydrophobicContact CD1-CD2 4.4Å; L663-L667 HydrophobicContact CD1-CG 4.03Å; L663-L667 HydrophobicContact CG-CD1 3.91Å; L663-L667 HydrophobicContact CG-CG 4.28Å; L663-L667 WeakPolarHBondContact O-CB 3.24Å; L663-L667 VanDerWaalsContact O-CG 3.25Å; L663-L667 WeakPolarHBondContact O-CG 3.23Å; L663-L667 PolarHBondContact O-N 2.99Å; K664-L667 PolarHBondContact O-N 3.46Å; L667-Q669 PolarHBondContact O-N 2.84Å; L667-T670 PolarHBondContact O-N 3.44Å; L667-T670 PolarHBondContact O-OG1 3.09Å; L667-T670 VanDerWaalsContact O-OG1 3.14Å; L667-L672 HydrophobicContact CB-CD1 4.35Å; L667-L672 HydrophobicContact CB-CD2 4.08Å; L667-L672 HydrophobicContact CD2-CD2 3.68Å; L667-L672 HydrophobicContact CG-CD2 4.39Å
668	D	87.1	Confident	89.9	Confident	71 Å²	71	36.1 Å²	36.1	38%	0.38	19%	0.193	S	C	.	.	H	α-helix	trans	-65.1	-29.5	175	-77.6	-21.8	0	0	0	112.5	Q498 K664 L666 T670	Q498-D668 VanDerWaalsContact NE2-CG 3.35Å; Q498-D668 PolarHBondContact NE2-OD1 3.1Å; Q498-D668 PolarHBondContact NE2-OD2 2.89Å; Q498-D668 VanDerWaalsContact NE2-OD2 3.15Å; Q498-D668 PolarHBondContact OE1-OD1 3.2Å; K664-D668 VanDerWaalsContact O-CG 3.32Å; K664-D668 PolarHBondContact O-N 2.74Å; L666-D668 VanDerWaalsContact C-N 3.28Å; L666-D668 PolarHBondContact O-N 3.36Å; D668-T670 VanDerWaalsContact C-N 3.34Å
669	Q	86.1	Confident	90.2	Very high	126 Å²	126	31 Å²	31	59%	0.589	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-9.7	178.3	-61.5	172.7	26.7	0	0	112.5	K175 S665 L666 L667	K175-Q669 WeakPolarHBondContact CE-O 3.35Å; S665-Q669 WeakPolarHBondContact O-CG 3.48Å; S665-Q669 PolarHBondContact O-NE2 2.96Å; L666-Q669 PolarHBondContact O-N 3.16Å; L666-Q669 VanDerWaalsContact O-N 3.15Å; L667-Q669 PolarHBondContact O-N 2.84Å
670	T	88.9	Confident	90.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-103.2	170.2	178.5	70	0	0	0	0	112.4	K175 N176 S178 F466 L666 L667 D668 L672	K175-T670 PolarHBondContact NZ-O 3.06Å; N176-T670 HydrophobicContact CB-CG2 3.71Å; N176-T670 CarbonylContact O-C 3.59Å; N176-T670 WeakPolarHBondContact O-CA 3.48Å; N176-T670 WeakPolarHBondContact O-CB 3.44Å; S178-T670 WeakPolarHBondContact OG-CB 3.5Å; S178-T670 WeakPolarHBondContact OG-CG2 3.35Å; S178-T670 PolarHBondContact OG-OG1 3.39Å; F466-T670 HydrophobicContact CE2-CG2 3.85Å; F466-T670 HydrophobicContact CZ-CG2 3.58Å; L666-T670 HydrophobicContact CD2-CG2 4.34Å; L666-T670 WeakPolarHBondContact O-CG2 3.43Å; L666-T670 PolarHBondContact O-N 3.26Å; L667-T670 PolarHBondContact O-N 3.44Å; L667-T670 PolarHBondContact O-OG1 3.09Å; L667-T670 VanDerWaalsContact O-OG1 3.14Å; D668-T670 VanDerWaalsContact C-N 3.34Å; T670-L672 VanDerWaalsContact OG1-CD2 3.31Å; T670-L672 WeakPolarHBondContact OG1-CD2 3.36Å
671	M	89.5	Confident	90.7	Very high	41 Å²	41	28.9 Å²	28.9	20%	0.202	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.5	165.8	175.9	173.4	-178.1	0	0	108.3	K175 N176 Q177 S178	K175-M671 HydrophobicContact CD-CB 4.45Å; N176-M671 PolarHBondContact O-N 3.22Å; Q177-M671 WeakPolarHBondContact CA-O 3.5Å; S178-M671 PolarHBondContact N-O 3.42Å
672	L	91.1	Very high	90.6	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	138.5	-171.5	-55.8	178.8	0	0	0	112.1	S178 I180 Q502 L667 T670 Y674	S178-L672 CarbonylContact O-C 3.52Å; S178-L672 WeakPolarHBondContact O-CA 3.43Å; I180-L672 HydrophobicContact CD1-CD1 4.08Å; I180-L672 HydrophobicContact CD1-CD2 4.07Å; I180-L672 HydrophobicContact CD1-CG 4.5Å; Q502-L672 VanDerWaalsContact CD-CD1 3.48Å; Q502-L672 HydrophobicContact CG-CD1 4.46Å; Q502-L672 VanDerWaalsContact NE2-CG 3.3Å; Q502-L672 VanDerWaalsContact OE1-CB 3.23Å; Q502-L672 VanDerWaalsContact OE1-CG 3.31Å; L667-L672 HydrophobicContact CB-CD1 4.35Å; L667-L672 HydrophobicContact CB-CD2 4.08Å; L667-L672 HydrophobicContact CD2-CD2 3.68Å; L667-L672 HydrophobicContact CG-CD2 4.39Å; T670-L672 VanDerWaalsContact OG1-CD2 3.31Å; T670-L672 WeakPolarHBondContact OG1-CD2 3.36Å; L672-Y674 HydrophobicContact CB-CD2 4.46Å; L672-Y674 HydrophobicContact CB-CE2 3.58Å; L672-Y674 WeakPolarHBondContact CD1-OH 3.49Å
673	H	92.6	Very high	90.5	Very high	5 Å²	5	27.8 Å²	27.8	2%	0.023	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140.2	170.9	-56.3	-90.9	0	0	0	108.1	V162 Q177 S178 I179 I180	V162-H673 HydrophobicContact CG1-CB 3.79Å; Q177-H673 PolarHBondContact OE1-NE2 3.34Å; S178-H673 PolarHBondContact O-N 3.3Å; I179-H673 CarbonylContact C-O 3.52Å; I179-H673 WeakPolarHBondContact CA-O 3.3Å; I179-H673 HydrophobicContact CG1-CB 4.17Å; I180-H673 PolarHBondContact N-O 3.04Å
674	Y	94.4	Very high	90.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.1	-169.8	-66.6	-86.8	0	0	0	111.3	I125 V126 L127 I180 F499 L672	I125-Y674 HydrophobicContact CD1-CD2 3.82Å; I125-Y674 HydrophobicContact CD1-CE2 3.93Å; I125-Y674 HydrophobicContact CG1-CD2 4.29Å; V126-Y674 CarbonylContact C-O 3.58Å; V126-Y674 WeakPolarHBondContact CA-O 3.21Å; L127-Y674 PolarHBondContact N-O 3.48Å; I180-Y674 HydrophobicContact CB-CD1 4.01Å; I180-Y674 HydrophobicContact CB-CE1 4.23Å; I180-Y674 HydrophobicContact CD1-CD1 4.31Å; I180-Y674 HydrophobicContact CD1-CE1 3.65Å; I180-Y674 HydrophobicContact CG1-CE1 4.42Å; I180-Y674 HydrophobicContact CG2-CD1 4.43Å; F499-Y674 VanDerWaalsContact CA-OH 3.31Å; F499-Y674 WeakPolarHBondContact CA-OH 3.23Å; F499-Y674 HydrophobicContact CB-CE1 4.15Å; F499-Y674 AromaticContact CD2-CD1 3.84Å; F499-Y674 HydrophobicContact CD2-CD1 3.84Å; F499-Y674 AromaticContact CD2-CD2 3.55Å; F499-Y674 HydrophobicContact CD2-CD2 3.55Å; F499-Y674 AromaticContact CD2-CE1 3.67Å; F499-Y674 HydrophobicContact CD2-CE1 3.67Å; F499-Y674 AromaticContact CD2-CE2 3.39Å; F499-Y674 HydrophobicContact CD2-CE2 3.39Å; F499-Y674 AromaticContact CD2-CG 3.76Å; F499-Y674 HydrophobicContact CD2-CG 3.76Å; F499-Y674 AromaticContact CD2-CZ 3.43Å; F499-Y674 VanDerWaalsContact CD2-CZ 3.43Å; F499-Y674 HydrophobicContact CE2-CD1 4.42Å; F499-Y674 AromaticContact CE2-CD2 3.67Å; F499-Y674 HydrophobicContact CE2-CD2 3.67Å; F499-Y674 AromaticContact CE2-CE2 3.92Å; F499-Y674 HydrophobicContact CE2-CE2 3.92Å; F499-Y674 AromaticContact CE2-CG 3.93Å; F499-Y674 HydrophobicContact CE2-CG 3.93Å; F499-Y674 HydrophobicContact CG-CE1 4.39Å; F499-Y674 HydrophobicContact CG-CE2 4.44Å; L672-Y674 HydrophobicContact CB-CD2 4.46Å; L672-Y674 HydrophobicContact CB-CE2 3.58Å; L672-Y674 WeakPolarHBondContact CD1-OH 3.49Å
675	V	96.3	Very high	90.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.4	171.5	-175.1	0	0	0	0	107.7	L127 A129 I159 V162 I179 I180 V181 S182	L127-V675 HydrophobicContact CB-CG2 4.44Å; L127-V675 CarbonylContact O-C 3.49Å; L127-V675 WeakPolarHBondContact O-CA 3.38Å; A129-V675 HydrophobicContact CB-CG1 4.46Å; I159-V675 HydrophobicContact CD1-CB 4.43Å; I159-V675 HydrophobicContact CD1-CG1 3.9Å; I159-V675 HydrophobicContact CD1-CG2 3.7Å; V162-V675 HydrophobicContact CG1-CG2 4.19Å; I179-V675 HydrophobicContact CG2-CG2 4.09Å; I180-V675 PolarHBondContact O-N 3Å; V181-V675 WeakPolarHBondContact CA-O 3.48Å; V181-V675 HydrophobicContact CG1-CB 4.36Å; V181-V675 HydrophobicContact CG1-CG1 4.39Å; V181-V675 HydrophobicContact CG2-CB 4.2Å; V181-V675 HydrophobicContact CG2-CG2 4.48Å; S182-V675 PolarHBondContact N-O 2.99Å
676	R	95.2	Very high	90.2	Very high	11 Å²	11	37 Å²	37	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	110.2	177.7	-64.6	-57.9	-170	-118	-4.4	109.2	V126 L127 V128 A129 S182 C701 V703	V126-R676 HydrophobicContact CG1-CB 4.14Å; V126-R676 HydrophobicContact CG1-CG 3.63Å; L127-R676 PolarHBondContact O-N 3.37Å; V128-R676 WeakPolarHBondContact CA-O 3.33Å; A129-R676 PolarHBondContact N-O 3.23Å; S182-R676 WeakPolarHBondContact OG-CD 3.03Å; S182-R676 VanDerWaalsContact OG-CZ 3.3Å; S182-R676 PolarHBondContact OG-NE 3.19Å; S182-R676 PolarHBondContact OG-NH1 3.06Å; R676-C701 HydrophobicContact CB-CB 4.3Å; R676-C701 HydrophobicContact CG-CB 4.21Å; R676-C701 PolarHBondContact NE-O 3.08Å; R676-V703 HydrophobicContact CB-CG2 4.13Å; R676-V703 HydrophobicContact CG-CG2 4.09Å
677	C	95.7	Very high	90.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	131	179.3	-62.5	0	0	0	0	110.1	A129 S182 G183 A187 K189	A129-C677 CarbonylContact O-C 3.57Å; A129-C677 VanDerWaalsContact O-CA 3.3Å; A129-C677 WeakPolarHBondContact O-CA 3.09Å; S182-C677 PolarHBondContact O-N 3.41Å; G183-C677 WeakPolarHBondContact CA-O 3.35Å; A187-C677 HydrophobicContact CB-CB 3.82Å; A187-C677 WeakPolarHBondContact CB-O 3.47Å; A187-C677 WeakPolarHBondContact O-CB 3.21Å; K189-C677 HydrophobicContact CG-CB 3.93Å
678	I	95.3	Very high	90.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.9	-176.8	-60.2	-178	0	0	0	110.1	V128 A129 V130 N131 V694 Q697 L698	V128-I678 HydrophobicContact CG1-CD1 3.46Å; V128-I678 VanDerWaalsContact CG1-CD1 3.46Å; V128-I678 HydrophobicContact CG1-CG1 4.15Å; A129-I678 PolarHBondContact O-N 3.45Å; V130-I678 HydrophobicContact CG2-CB 4.45Å; N131-I678 PolarHBondContact N-O 3.34Å; I678-V694 HydrophobicContact CG2-CB 4.46Å; I678-V694 HydrophobicContact CG2-CG1 4.04Å; I678-V694 HydrophobicContact CG2-CG2 4.15Å; I678-Q697 HydrophobicContact CG2-CB 4.31Å; I678-L698 HydrophobicContact CD1-CD2 3.37Å; I678-L698 HydrophobicContact CD1-CG 3.97Å
679	K	91.9	Very high	90.5	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.017	19%	0.188	C	C	.	.			trans	-82.6	120.7	169.7	171.2	168.1	-149.9	-151.9	0	109.8	Y133 A187 N681 D682 Q697	Y133-K679 WeakPolarHBondContact OH-CD 3.42Å; Y133-K679 WeakPolarHBondContact OH-CE 2.88Å; Y133-K679 WeakPolarHBondContact OH-CG 3.33Å; A187-K679 HydrophobicContact CB-CB 4.42Å; K679-N681 WeakPolarHBondContact CE-O 3.42Å; K679-N681 WeakPolarHBondContact CG-O 3.48Å; K679-D682 WeakPolarHBondContact CD-OD1 3.35Å; K679-D682 WeakPolarHBondContact CE-OD1 3.08Å; K679-D682 PolarHBondContact NZ-O 3.2Å; K679-D682 IonicContact NZ-OD1 2.74Å; K679-D682 PolarHBondContact NZ-OD1 2.88Å; K679-Q697 PolarHBondContact O-NE2 3.33Å
680	P	92.7	Very high	90.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-77.4	-29.5	-177.7	33.8	-40.7	0	0	0	113.5	F114 V130 N131 Y133 V688 F689 H690	F114-P680 HydrophobicContact CE1-CB 4.16Å; F114-P680 HydrophobicContact CE2-CB 4.4Å; F114-P680 HydrophobicContact CE2-CG 4.44Å; F114-P680 HydrophobicContact CZ-CB 3.89Å; F114-P680 HydrophobicContact CZ-CG 3.92Å; V130-P680 HydrophobicContact CG1-CB 3.83Å; V130-P680 HydrophobicContact CG1-CG 4.33Å; N131-P680 WeakPolarHBondContact O-CD 3.44Å; N131-P680 WeakPolarHBondContact O-CG 3.36Å; Y133-P680 HydrophobicContact CD2-CG 3.92Å; Y133-P680 HydrophobicContact CE2-CG 3.77Å; P680-V688 WeakPolarHBondContact CB-O 3.42Å; P680-F689 HydrophobicContact CB-CD2 4.22Å; P680-H690 WeakPolarHBondContact O-CB 3.38Å; P680-H690 PolarHBondContact O-N 3.19Å
681	N	90.6	Very high	91.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.			trans	-153.1	160.4	178.1	67	82	0	0	0	110.2	Y133 K679 E683 K684 K685 V688 H690	Y133-N681 PolarHBondContact OH-O 3.26Å; K679-N681 WeakPolarHBondContact CE-O 3.42Å; K679-N681 WeakPolarHBondContact CG-O 3.48Å; N681-E683 PolarHBondContact OD1-N 3.03Å; N681-K684 WeakPolarHBondContact OD1-CA 3.49Å; N681-K684 PolarHBondContact OD1-N 2.86Å; N681-K685 PolarHBondContact ND2-O 3.3Å; N681-K685 PolarHBondContact OD1-N 3.5Å; N681-V688 HydrophobicContact CB-CG1 4.21Å; N681-V688 PolarHBondContact ND2-O 2.87Å; N681-H690 HydrophobicContact CB-CB 4.41Å
682	D	85.6	Confident	91.1	Very high	56 Å²	56	37.9 Å²	37.9	30%	0.299	19%	0.191	S	C	.	.	S	Bend	trans	-85.2	-27.6	-175.6	-87	-36.2	0	0	0	114.3	K679 K684 R693	K679-D682 WeakPolarHBondContact CD-OD1 3.35Å; K679-D682 WeakPolarHBondContact CE-OD1 3.08Å; K679-D682 PolarHBondContact NZ-O 3.2Å; K679-D682 IonicContact NZ-OD1 2.74Å; K679-D682 PolarHBondContact NZ-OD1 2.88Å; D682-K684 PolarHBondContact O-N 3.44Å; D682-R693 IonicContact OD1-NH2 2.7Å; D682-R693 PolarHBondContact OD1-NH2 3.17Å; D682-R693 IonicContact OD2-CZ 3.68Å; D682-R693 IonicContact OD2-NE 3.5Å; D682-R693 PolarHBondContact OD2-NE 2.98Å; D682-R693 IonicContact OD2-NH2 3.48Å; D682-R693 PolarHBondContact OD2-NH2 3.07Å
683	E	85.8	Confident	91.1	Very high	107 Å²	107	40.3 Å²	40.3	50%	0.5	20%	0.199	S	C	.	.	S	Bend	trans	-75.3	-3.8	-176.1	-57.8	82.5	175.9	0	0	113.2	N681 K685 H690	N681-E683 PolarHBondContact OD1-N 3.03Å; E683-K685 HydrophobicContact CB-CD 4.23Å; E683-K685 HydrophobicContact CB-CG 3.96Å; E683-K685 PolarHBondContact O-N 2.98Å; E683-H690 IonicContact OE1-CE1 2.82Å; E683-H690 PolarHBondContact OE1-CE1 3.44Å; E683-H690 IonicContact OE2-CE1 2.71Å; E683-H690 PolarHBondContact OE2-CE1 3.36Å; E683-H690 IonicContact OE2-ND1 3.08Å
684	K	83.4	Confident	91.1	Very high	73 Å²	73	40 Å²	40	32%	0.317	20%	0.198	S	C	.	.			trans	57.8	31.1	-174.6	-52.3	176.3	-179.1	172.6	0	113.1	Y133 R239 D241 N681 D682	Y133-K684 HydrophobicContact CD1-CB 4.09Å; Y133-K684 HydrophobicContact CD1-CG 4.46Å; Y133-K684 HydrophobicContact CE1-CB 4.06Å; Y133-K684 HydrophobicContact CE1-CG 3.97Å; Y133-K684 HydrophobicContact CG-CB 4.34Å; R239-K684 WeakPolarHBondContact O-CE 3.21Å; R239-K684 PolarHBondContact O-NZ 3.34Å; D241-K684 IonicContact OD2-NZ 3.91Å; D241-K684 PolarHBondContact OD2-NZ 3.36Å; N681-K684 WeakPolarHBondContact OD1-CA 3.49Å; N681-K684 PolarHBondContact OD1-N 2.86Å; D682-K684 PolarHBondContact O-N 3.44Å
685	K	88.3	Confident	91	Very high	121 Å²	121	40.2 Å²	40.2	53%	0.526	20%	0.199	S	C	.	.			trans	-76.2	136	176.4	-71	-179.1	-179.2	178.3	0	110.4	N681 E683 V688	N681-K685 PolarHBondContact ND2-O 3.3Å; N681-K685 PolarHBondContact OD1-N 3.5Å; E683-K685 HydrophobicContact CB-CD 4.23Å; E683-K685 HydrophobicContact CB-CG 3.96Å; E683-K685 PolarHBondContact O-N 2.98Å; K685-V688 HydrophobicContact CB-CB 3.93Å; K685-V688 HydrophobicContact CB-CG2 3.65Å; K685-V688 HydrophobicContact CD-CG2 4.37Å
686	Q	88.1	Confident	90.7	Very high	123 Å²	123	43.8 Å²	43.8	58%	0.575	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	133.9	178.9	-68.4	177.2	-7.4	0	0	110.9	Y133 Q134 V688	Y133-Q686 WeakPolarHBondContact O-CG 3.34Å; Q134-Q686 HydrophobicContact CB-CG 4.11Å; Q686-V688 PolarHBondContact O-N 3.42Å
687	L	85.3	Confident	90.5	Very high	86 Å²	86	43.3 Å²	43.3	45%	0.45	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	18.2	174.4	-57	176.1	0	0	0	115.5	F114 P132	F114-L687 HydrophobicContact CZ-CD2 4.46Å; P132-L687 HydrophobicContact CB-CD2 4.41Å; P132-L687 PolarHBondContact O-N 2.93Å
688	V	91.5	Very high	90.4	Very high	49 Å²	49	43.3 Å²	43.3	30%	0.297	21%	0.214	S	C	.	.			trans	-93.6	129.3	174.2	174.2	0	0	0	0	109.5	P680 N681 K685 Q686 H690	P680-V688 WeakPolarHBondContact CB-O 3.42Å; N681-V688 HydrophobicContact CB-CG1 4.21Å; N681-V688 PolarHBondContact ND2-O 2.87Å; K685-V688 HydrophobicContact CB-CB 3.93Å; K685-V688 HydrophobicContact CB-CG2 3.65Å; K685-V688 HydrophobicContact CD-CG2 4.37Å; Q686-V688 PolarHBondContact O-N 3.42Å; V688-H690 WeakPolarHBondContact CG1-NE2 3.09Å
689	F	92.5	Very high	90.1	Very high	22 Å²	22	48.7 Å²	48.7	10%	0.096	23%	0.234	C	C	.	.			trans	-118.5	115.9	-177.2	-168.3	-82.7	0	0	0	111.3	L107 L110 K111 F114 V130 P680 N691 V694	L107-F689 HydrophobicContact CD1-CE1 3.59Å; L107-F689 HydrophobicContact CD1-CZ 3.81Å; L107-F689 HydrophobicContact CG-CE1 4.42Å; L110-F689 HydrophobicContact CB-CZ 4.46Å; K111-F689 HydrophobicContact CB-CD1 3.91Å; K111-F689 HydrophobicContact CB-CE1 3.64Å; K111-F689 HydrophobicContact CB-CE2 4.43Å; K111-F689 HydrophobicContact CB-CG 4.4Å; K111-F689 HydrophobicContact CB-CZ 3.9Å; K111-F689 HydrophobicContact CD-CD1 4.02Å; K111-F689 HydrophobicContact CD-CE1 4.33Å; K111-F689 HydrophobicContact CG-CD1 3.77Å; K111-F689 HydrophobicContact CG-CE1 4.04Å; K111-F689 HydrophobicContact CG-CG 4.15Å; F114-F689 HydrophobicContact CB-CD2 4.1Å; F114-F689 HydrophobicContact CB-CE2 4.37Å; F114-F689 HydrophobicContact CD1-CB 3.95Å; F114-F689 AromaticContact CD1-CD2 3.66Å; F114-F689 HydrophobicContact CD1-CD2 3.66Å; F114-F689 HydrophobicContact CD1-CG 4.27Å; F114-F689 HydrophobicContact CE1-CB 4.16Å; F114-F689 HydrophobicContact CE1-CD2 4.24Å; F114-F689 AromaticContact CG-CD2 3.94Å; F114-F689 HydrophobicContact CG-CD2 3.94Å; V130-F689 HydrophobicContact CG1-CE2 4.47Å; P680-F689 HydrophobicContact CB-CD2 4.22Å; F689-N691 WeakPolarHBondContact CD1-OD1 3.29Å; F689-V694 HydrophobicContact CD1-CG2 4.42Å; F689-V694 HydrophobicContact CD2-CG2 4.3Å; F689-V694 HydrophobicContact CE1-CB 4.11Å; F689-V694 HydrophobicContact CE1-CG1 4.28Å; F689-V694 HydrophobicContact CE1-CG2 3.98Å; F689-V694 HydrophobicContact CE2-CB 4.47Å; F689-V694 HydrophobicContact CE2-CG1 4.21Å; F689-V694 HydrophobicContact CE2-CG2 3.86Å; F689-V694 HydrophobicContact CZ-CB 3.87Å; F689-V694 HydrophobicContact CZ-CG1 3.61Å; F689-V694 HydrophobicContact CZ-CG2 3.7Å
690	H	93.2	Very high	89.9	Confident	62 Å²	62	48.9 Å²	48.9	29%	0.287	24%	0.237	S	C	.	.			trans	-101.9	107	179.3	-71.1	-174	0	0	0	110.8	P680 N681 E683 V688 A692 R693 V694	P680-H690 WeakPolarHBondContact O-CB 3.38Å; P680-H690 PolarHBondContact O-N 3.19Å; N681-H690 HydrophobicContact CB-CB 4.41Å; E683-H690 IonicContact OE1-CE1 2.82Å; E683-H690 PolarHBondContact OE1-CE1 3.44Å; E683-H690 IonicContact OE2-CE1 2.71Å; E683-H690 PolarHBondContact OE2-CE1 3.36Å; E683-H690 IonicContact OE2-ND1 3.08Å; V688-H690 WeakPolarHBondContact CG1-NE2 3.09Å; H690-A692 PolarHBondContact O-N 2.71Å; H690-R693 HydrophobicContact CB-CB 4.37Å; H690-R693 HydrophobicContact CB-CG 4.48Å; H690-R693 PolarHBondContact O-N 3.12Å; H690-V694 WeakPolarHBondContact O-CG2 3.28Å; H690-V694 PolarHBondContact O-N 2.72Å
691	N	93.7	Very high	89.7	Confident	20 Å²	20	49.3 Å²	49.3	11%	0.107	24%	0.24	C	C	.	.	H	α-helix	trans	-52.3	-50.2	-175.6	-71.2	2.5	0	0	0	113.5	D43 V44 L107 F689 R693 V694 I695	D43-N691 WeakPolarHBondContact O-CB 3.23Å; D43-N691 PolarHBondContact O-ND2 2.94Å; V44-N691 HydrophobicContact CG2-CB 4.06Å; L107-N691 HydrophobicContact CD2-CB 3.69Å; F689-N691 WeakPolarHBondContact CD1-OD1 3.29Å; N691-R693 VanDerWaalsContact C-N 3.32Å; N691-R693 PolarHBondContact O-N 3.2Å; N691-V694 PolarHBondContact O-N 3.44Å; N691-I695 PolarHBondContact O-N 2.88Å
692	A	91	Very high	89.5	Confident	55 Å²	55	49.3 Å²	49.3	46%	0.455	24%	0.24	S	C	.	.	H	α-helix	trans	-58.3	-42.3	-178	0	0	0	0	0	113	V44 H690 Q696	V44-A692 VanDerWaalsContact CG2-CA 3.43Å; V44-A692 HydrophobicContact CG2-CB 3.79Å; H690-A692 PolarHBondContact O-N 2.71Å; A692-Q696 PolarHBondContact O-N 2.98Å
693	R	89.4	Confident	89.7	Confident	52 Å²	52	46.7 Å²	46.7	20%	0.196	23%	0.226	C	C	.	.	H	α-helix	trans	-77.2	-33.8	-177.8	-62.6	-64	-80.1	145.7	1.8	112.4	D682 H690 N691 Q697	D682-R693 IonicContact OD1-NH2 2.7Å; D682-R693 PolarHBondContact OD1-NH2 3.17Å; D682-R693 IonicContact OD2-CZ 3.68Å; D682-R693 IonicContact OD2-NE 3.5Å; D682-R693 PolarHBondContact OD2-NE 2.98Å; D682-R693 IonicContact OD2-NH2 3.48Å; D682-R693 PolarHBondContact OD2-NH2 3.07Å; H690-R693 HydrophobicContact CB-CB 4.37Å; H690-R693 HydrophobicContact CB-CG 4.48Å; H690-R693 PolarHBondContact O-N 3.12Å; N691-R693 VanDerWaalsContact C-N 3.32Å; N691-R693 PolarHBondContact O-N 3.2Å; R693-Q697 PolarHBondContact O-N 3.31Å; R693-Q697 PolarHBondContact O-NE2 3.35Å; R693-Q697 VanDerWaalsContact O-NE2 3.15Å
694	V	93.7	Very high	89.7	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-69.3	-43.3	175.5	173.1	0	0	0	0	111.1	L107 I678 F689 H690 N691 Q696 Q697 L698	L107-V694 HydrophobicContact CD1-CB 3.93Å; L107-V694 HydrophobicContact CD1-CG1 3.71Å; I678-V694 HydrophobicContact CG2-CB 4.46Å; I678-V694 HydrophobicContact CG2-CG1 4.04Å; I678-V694 HydrophobicContact CG2-CG2 4.15Å; F689-V694 HydrophobicContact CD1-CG2 4.42Å; F689-V694 HydrophobicContact CD2-CG2 4.3Å; F689-V694 HydrophobicContact CE1-CB 4.11Å; F689-V694 HydrophobicContact CE1-CG1 4.28Å; F689-V694 HydrophobicContact CE1-CG2 3.98Å; F689-V694 HydrophobicContact CE2-CB 4.47Å; F689-V694 HydrophobicContact CE2-CG1 4.21Å; F689-V694 HydrophobicContact CE2-CG2 3.86Å; F689-V694 HydrophobicContact CZ-CB 3.87Å; F689-V694 HydrophobicContact CZ-CG1 3.61Å; F689-V694 HydrophobicContact CZ-CG2 3.7Å; H690-V694 WeakPolarHBondContact O-CG2 3.28Å; H690-V694 PolarHBondContact O-N 2.72Å; N691-V694 PolarHBondContact O-N 3.44Å; V694-Q696 PolarHBondContact O-N 3.46Å; V694-Q697 PolarHBondContact O-N 3.02Å; V694-L698 HydrophobicContact CG1-CD1 3.91Å; V694-L698 HydrophobicContact CG1-CG 4.18Å; V694-L698 WeakPolarHBondContact O-CG 3.3Å; V694-L698 PolarHBondContact O-N 2.9Å
695	I	91.8	Very high	89.6	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-45.6	175.7	-84.7	175.1	0	0	0	111.9	V44 W45 E103 L107 N691 Q697 L698 R699	V44-I695 HydrophobicContact CB-CD1 4Å; V44-I695 HydrophobicContact CG1-CD1 3.58Å; V44-I695 HydrophobicContact CG2-CD1 4.36Å; W45-I695 VanDerWaalsContact CD1-CD1 3.47Å; E103-I695 HydrophobicContact CG-CD1 4.23Å; E103-I695 HydrophobicContact CG-CG1 4.25Å; E103-I695 HydrophobicContact CG-CG2 4.48Å; E103-I695 WeakPolarHBondContact OE1-CG2 3.3Å; L107-I695 HydrophobicContact CB-CD1 4.16Å; L107-I695 HydrophobicContact CB-CG1 4.1Å; L107-I695 HydrophobicContact CD1-CD1 4.44Å; L107-I695 HydrophobicContact CD1-CG1 3.91Å; L107-I695 HydrophobicContact CD2-CD1 3.31Å; L107-I695 HydrophobicContact CD2-CG1 3.74Å; L107-I695 HydrophobicContact CG-CD1 4.12Å; L107-I695 HydrophobicContact CG-CG1 4.09Å; N691-I695 PolarHBondContact O-N 2.88Å; I695-Q697 VanDerWaalsContact C-N 3.27Å; I695-Q697 PolarHBondContact O-N 3.16Å; I695-L698 PolarHBondContact O-N 3.22Å; I695-R699 VanDerWaalsContact CG2-CZ 3.46Å; I695-R699 WeakPolarHBondContact O-CG 3.39Å; I695-R699 PolarHBondContact O-N 3.08Å
696	Q	89.4	Confident	89.3	Confident	74 Å²	74	34.2 Å²	34.2	35%	0.346	17%	0.171	S	C	.	.	H	α-helix	trans	-56.5	-44.4	177.5	-179	179.6	-6.6	0	0	111.2	A692 V694 R699 A700	A692-Q696 PolarHBondContact O-N 2.98Å; V694-Q696 PolarHBondContact O-N 3.46Å; Q696-R699 PolarHBondContact O-N 3.15Å; Q696-A700 WeakPolarHBondContact O-CB 3.28Å; Q696-A700 PolarHBondContact O-N 2.87Å
697	Q	92.2	Very high	89.1	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-69.8	-36.2	177.7	-77.3	174.3	83.1	0	0	113.4	E184 I678 K679 R693 V694 I695 R699 A700 C701	E184-Q697 HydrophobicContact CG-CG 4.28Å; E184-Q697 WeakPolarHBondContact OE1-CG 3.45Å; I678-Q697 HydrophobicContact CG2-CB 4.31Å; K679-Q697 PolarHBondContact O-NE2 3.33Å; R693-Q697 PolarHBondContact O-N 3.31Å; R693-Q697 PolarHBondContact O-NE2 3.35Å; R693-Q697 VanDerWaalsContact O-NE2 3.15Å; V694-Q697 PolarHBondContact O-N 3.02Å; I695-Q697 VanDerWaalsContact C-N 3.27Å; I695-Q697 PolarHBondContact O-N 3.16Å; Q697-R699 VanDerWaalsContact C-N 3.28Å; Q697-R699 PolarHBondContact O-N 2.85Å; Q697-A700 PolarHBondContact O-N 2.89Å; Q697-C701 VanDerWaalsContact O-CB 3.23Å; Q697-C701 WeakPolarHBondContact O-CB 3.4Å; Q697-C701 PolarHBondContact O-N 3.26Å; Q697-C701 PolarHBondContact O-SG 3.18Å
698	L	92.5	Very high	88.9	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-37.9	175.7	-74.7	170	0	0	0	111.9	V106 L110 I678 V694 I695 V703 M704	V106-L698 HydrophobicContact CG1-CD1 4.3Å; L110-L698 HydrophobicContact CD1-CD1 3.98Å; L110-L698 HydrophobicContact CD1-CD2 3.73Å; L110-L698 HydrophobicContact CD1-CG 4.42Å; I678-L698 HydrophobicContact CD1-CD2 3.37Å; I678-L698 HydrophobicContact CD1-CG 3.97Å; V694-L698 HydrophobicContact CG1-CD1 3.91Å; V694-L698 HydrophobicContact CG1-CG 4.18Å; V694-L698 WeakPolarHBondContact O-CG 3.3Å; V694-L698 PolarHBondContact O-N 2.9Å; I695-L698 PolarHBondContact O-N 3.22Å; L698-V703 HydrophobicContact CD2-CB 3.88Å; L698-V703 HydrophobicContact CD2-CG1 3.83Å; L698-V703 HydrophobicContact CD2-CG2 4.13Å; L698-V703 PolarHBondContact O-N 3.45Å; L698-V703 VanDerWaalsContact O-N 3.1Å; L698-M704 HydrophobicContact CB-CG 4.2Å; L698-M704 PolarHBondContact O-N 3.47Å
699	R	90	Very high	88.2	Confident	113 Å²	113	29.2 Å²	29.2	43%	0.426	14%	0.136	S	C	.	.	H	α-helix	trans	-67.7	-49.4	171.9	-64.8	170.8	-176.8	168.9	1.6	110.6	E103 I695 Q696 Q697 C701 G702 M704	E103-R699 IonicContact OE1-CZ 2.9Å; E103-R699 IonicContact OE1-NE 2.86Å; E103-R699 IonicContact OE1-NH2 3.51Å; E103-R699 PolarHBondContact OE1-NH2 3.4Å; E103-R699 IonicContact OE2-CZ 2.64Å; E103-R699 VanDerWaalsContact OE2-CZ 3.26Å; E103-R699 IonicContact OE2-NE 3.99Å; E103-R699 PolarHBondContact OE2-NE 3.47Å; E103-R699 IonicContact OE2-NH2 2.81Å; E103-R699 PolarHBondContact OE2-NH2 3.26Å; I695-R699 VanDerWaalsContact CG2-CZ 3.46Å; I695-R699 WeakPolarHBondContact O-CG 3.39Å; I695-R699 PolarHBondContact O-N 3.08Å; Q696-R699 PolarHBondContact O-N 3.15Å; Q697-R699 VanDerWaalsContact C-N 3.28Å; Q697-R699 PolarHBondContact O-N 2.85Å; R699-C701 VanDerWaalsContact C-N 3.32Å; R699-C701 PolarHBondContact O-N 2.85Å; R699-G702 PolarHBondContact O-N 2.91Å; R699-M704 HydrophobicContact CG-CG 4.16Å
700	A	87.3	Confident	87.5	Confident	9 Å²	9	28.8 Å²	28.8	7%	0.074	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-29.9	-178.6	0	0	0	0	0	114.5	F475 F590 A591 Q696 Q697 G702	F475-A700 HydrophobicContact CB-CB 4.22Å; F475-A700 WeakPolarHBondContact CB-O 3.4Å; F590-A700 VanDerWaalsContact CZ-O 3.23Å; F590-A700 WeakPolarHBondContact CZ-O 3.49Å; A591-A700 HydrophobicContact CB-CB 4.37Å; Q696-A700 WeakPolarHBondContact O-CB 3.28Å; Q696-A700 PolarHBondContact O-N 2.87Å; Q697-A700 PolarHBondContact O-N 2.89Å; A700-G702 VanDerWaalsContact C-N 3.34Å
701	C	88.2	Confident	86.8	Confident	8 Å²	8	27 Å²	27	5%	0.054	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-1.7	179.2	-69	0	0	0	0	113.8	R676 Q697 R699 V703	R676-C701 HydrophobicContact CB-CB 4.3Å; R676-C701 HydrophobicContact CG-CB 4.21Å; R676-C701 PolarHBondContact NE-O 3.08Å; Q697-C701 VanDerWaalsContact O-CB 3.23Å; Q697-C701 WeakPolarHBondContact O-CB 3.4Å; Q697-C701 PolarHBondContact O-N 3.26Å; Q697-C701 PolarHBondContact O-SG 3.18Å; R699-C701 VanDerWaalsContact C-N 3.32Å; R699-C701 PolarHBondContact O-N 2.85Å; C701-V703 HydrophobicContact CB-CG2 4.07Å; C701-V703 PolarHBondContact O-N 3.29Å
702	G	86.6	Confident	86.1	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.01	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	11.3	-178.1	0	0	0	0	0	114.4	R699 A700 M704 E705 T706	R699-G702 PolarHBondContact O-N 2.91Å; A700-G702 VanDerWaalsContact C-N 3.34Å; G702-M704 VanDerWaalsContact C-N 3.34Å; G702-E705 PolarHBondContact O-N 3.19Å; G702-T706 PolarHBondContact O-N 2.97Å; G702-T706 PolarHBondContact O-OG1 3.45Å
703	V	88.9	Confident	85.6	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.4	-42.4	179.1	-179.9	0	0	0	0	109.9	V128 R676 L698 C701 E705 T706 I707	V128-V703 HydrophobicContact CG2-CG1 4.17Å; V128-V703 HydrophobicContact CG2-CG2 4.26Å; R676-V703 HydrophobicContact CB-CG2 4.13Å; R676-V703 HydrophobicContact CG-CG2 4.09Å; L698-V703 HydrophobicContact CD2-CB 3.88Å; L698-V703 HydrophobicContact CD2-CG1 3.83Å; L698-V703 HydrophobicContact CD2-CG2 4.13Å; L698-V703 PolarHBondContact O-N 3.45Å; L698-V703 VanDerWaalsContact O-N 3.1Å; C701-V703 HydrophobicContact CB-CG2 4.07Å; C701-V703 PolarHBondContact O-N 3.29Å; V703-E705 VanDerWaalsContact C-N 3.27Å; V703-E705 PolarHBondContact O-N 3.15Å; V703-T706 VanDerWaalsContact O-CB 3.28Å; V703-T706 WeakPolarHBondContact O-CB 3.31Å; V703-T706 PolarHBondContact O-N 2.91Å; V703-I707 HydrophobicContact CG1-CD1 3.94Å; V703-I707 WeakPolarHBondContact O-CD1 3.08Å; V703-I707 WeakPolarHBondContact O-CG1 3.37Å; V703-I707 PolarHBondContact O-N 2.99Å; V703-I707 VanDerWaalsContact O-N 3.08Å
704	M	87.3	Confident	85.2	Confident	11 Å²	11	23.2 Å²	23.2	5%	0.054	11%	0.114	C	C	.	.	H	α-helix	trans	-62.4	-35	175.9	-69.5	-50.1	-52	0	0	112.8	E103 V106 L698 R699 G702 I707 R708	E103-M704 VanDerWaalsContact CA-CE 3.43Å; E103-M704 HydrophobicContact CB-CE 3.63Å; E103-M704 HydrophobicContact CB-SD 4.27Å; E103-M704 HydrophobicContact CG-CE 4.01Å; E103-M704 HydrophobicContact CG-SD 4.02Å; V106-M704 HydrophobicContact CG1-SD 4.37Å; L698-M704 HydrophobicContact CB-CG 4.2Å; L698-M704 PolarHBondContact O-N 3.47Å; R699-M704 HydrophobicContact CG-CG 4.16Å; G702-M704 VanDerWaalsContact C-N 3.34Å; M704-I707 PolarHBondContact O-N 2.87Å; M704-I707 HydrophobicContact SD-CD1 4.26Å; M704-R708 WeakPolarHBondContact O-CG 3.37Å; M704-R708 PolarHBondContact O-N 3.14Å
705	E	80.5	Confident	84.4	Confident	24 Å²	24	23.7 Å²	23.7	11%	0.112	12%	0.117	C	C	.	.	H	α-helix	trans	-72.7	-38	177.7	-162.4	55.5	-145.5	0	0	111.5	V524 G702 V703 I707 R708 I709	V524-E705 WeakPolarHBondContact CG2-OE1 3.23Å; G702-E705 PolarHBondContact O-N 3.19Å; V703-E705 VanDerWaalsContact C-N 3.27Å; V703-E705 PolarHBondContact O-N 3.15Å; E705-I707 VanDerWaalsContact C-N 3.25Å; E705-I707 PolarHBondContact O-N 3.38Å; E705-R708 PolarHBondContact O-N 3.17Å; E705-R708 VanDerWaalsContact O-N 3.16Å; E705-R708 VanDerWaalsContact OE2-CD 3.32Å; E705-R708 WeakPolarHBondContact OE2-CD 3.34Å; E705-R708 IonicContact OE2-CZ 2.91Å; E705-R708 IonicContact OE2-NH1 2.79Å; E705-R708 PolarHBondContact OE2-NH1 2.89Å; E705-I709 HydrophobicContact CG-CD1 4.42Å; E705-I709 WeakPolarHBondContact O-CG1 3.32Å; E705-I709 PolarHBondContact O-N 3.48Å
706	T	82	Confident	83.9	Confident	4 Å²	4	23.8 Å²	23.8	3%	0.025	12%	0.118	C	C	.	.	H	α-helix	trans	-53.9	-46.1	170.7	-50.8	0	0	0	0	111.4	V126 F499 G702 V703 I709 S710	V126-T706 HydrophobicContact CG2-CG2 4.15Å; F499-T706 HydrophobicContact CE1-CG2 4.1Å; F499-T706 WeakPolarHBondContact CE1-OG1 3.48Å; F499-T706 HydrophobicContact CZ-CG2 3.61Å; F499-T706 WeakPolarHBondContact CZ-OG1 3.4Å; G702-T706 PolarHBondContact O-N 2.97Å; G702-T706 PolarHBondContact O-OG1 3.45Å; V703-T706 VanDerWaalsContact O-CB 3.28Å; V703-T706 WeakPolarHBondContact O-CB 3.31Å; V703-T706 PolarHBondContact O-N 2.91Å; T706-I709 PolarHBondContact O-N 2.96Å; T706-S710 WeakPolarHBondContact O-CB 3.37Å; T706-S710 PolarHBondContact O-N 2.93Å; T706-S710 PolarHBondContact O-OG 3.35Å
707	I	83.4	Confident	83.7	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-67.1	-41.9	-179.8	-68.7	160.7	0	0	0	110.2	M101 V106 C123 V703 M704 E705 S710 A711	M101-I707 HydrophobicContact CB-CG2 3.54Å; M101-I707 HydrophobicContact CG-CG2 3.97Å; M101-I707 WeakPolarHBondContact O-CG2 3.48Å; M101-I707 HydrophobicContact SD-CG2 3.96Å; V106-I707 HydrophobicContact CB-CD1 4.23Å; V106-I707 HydrophobicContact CG1-CD1 3.74Å; V106-I707 HydrophobicContact CG2-CD1 3.52Å; V106-I707 HydrophobicContact CG2-CG2 4.47Å; C123-I707 WeakPolarHBondContact SG-CG1 3.21Å; V703-I707 HydrophobicContact CG1-CD1 3.94Å; V703-I707 WeakPolarHBondContact O-CD1 3.08Å; V703-I707 WeakPolarHBondContact O-CG1 3.37Å; V703-I707 PolarHBondContact O-N 2.99Å; V703-I707 VanDerWaalsContact O-N 3.08Å; M704-I707 PolarHBondContact O-N 2.87Å; M704-I707 HydrophobicContact SD-CD1 4.26Å; E705-I707 VanDerWaalsContact C-N 3.25Å; E705-I707 PolarHBondContact O-N 3.38Å; I707-S710 PolarHBondContact O-N 3.36Å; I707-A711 WeakPolarHBondContact O-CB 3.48Å; I707-A711 PolarHBondContact O-N 3.11Å
708	R	80.9	Confident	83.5	Confident	145 Å²	145	27.3 Å²	27.3	55%	0.547	13%	0.128	S	C	.	.	H	α-helix	trans	-61.3	-46	175.6	-75.8	171.6	179.8	167.5	-1.6	112.7	M704 E705 S710 A711 A712	M704-R708 WeakPolarHBondContact O-CG 3.37Å; M704-R708 PolarHBondContact O-N 3.14Å; E705-R708 PolarHBondContact O-N 3.17Å; E705-R708 VanDerWaalsContact O-N 3.16Å; E705-R708 VanDerWaalsContact OE2-CD 3.32Å; E705-R708 WeakPolarHBondContact OE2-CD 3.34Å; E705-R708 IonicContact OE2-CZ 2.91Å; E705-R708 IonicContact OE2-NH1 2.79Å; E705-R708 PolarHBondContact OE2-NH1 2.89Å; R708-S710 VanDerWaalsContact C-N 3.31Å; R708-S710 PolarHBondContact O-N 3.32Å; R708-A711 PolarHBondContact O-N 3.15Å; R708-A712 WeakPolarHBondContact O-CB 3.1Å; R708-A712 PolarHBondContact O-N 3.01Å
709	I	77.3	Confident	83.3	Confident	8 Å²	8	33.1 Å²	33.1	4%	0.041	15%	0.153	C	C	.	.	H	α-helix	trans	-59.9	-45.3	177	-65.6	167.1	0	0	0	109.9	N500 V503 E705 T706 A712 G713	N500-I709 HydrophobicContact CB-CD1 4.3Å; V503-I709 HydrophobicContact CG1-CG2 3.87Å; E705-I709 HydrophobicContact CG-CD1 4.42Å; E705-I709 WeakPolarHBondContact O-CG1 3.32Å; E705-I709 PolarHBondContact O-N 3.48Å; T706-I709 PolarHBondContact O-N 2.96Å; I709-A712 PolarHBondContact O-N 3.09Å; I709-G713 PolarHBondContact O-N 2.79Å
710	S	78.1	Confident	83.4	Confident	14 Å²	14	28.6 Å²	28.6	10%	0.098	14%	0.136	C	C	.	.	H	α-helix	trans	-65.7	-39.7	177.7	-54.1	0	0	0	0	112.1	T706 I707 R708 A712 G713 P715	T706-S710 WeakPolarHBondContact O-CB 3.37Å; T706-S710 PolarHBondContact O-N 2.93Å; T706-S710 PolarHBondContact O-OG 3.35Å; I707-S710 PolarHBondContact O-N 3.36Å; R708-S710 VanDerWaalsContact C-N 3.31Å; R708-S710 PolarHBondContact O-N 3.32Å; S710-A712 VanDerWaalsContact C-N 3.33Å; S710-A712 PolarHBondContact O-N 3.01Å; S710-G713 PolarHBondContact O-N 3.38Å; S710-P715 WeakPolarHBondContact O-CD 3.39Å
711	A	79.6	Confident	83.5	Confident	25 Å²	25	34 Å²	34	21%	0.207	16%	0.16	C	C	.	.	H	α-helix	trans	-66.2	-34.2	178.5	0	0	0	0	0	113	M101 I707 R708 G713	M101-A711 HydrophobicContact CB-CB 4.16Å; M101-A711 HydrophobicContact CE-CB 3.54Å; I707-A711 WeakPolarHBondContact O-CB 3.48Å; I707-A711 PolarHBondContact O-N 3.11Å; R708-A711 PolarHBondContact O-N 3.15Å; A711-G713 PolarHBondContact O-N 2.94Å
712	A	78.2	Confident	83.5	Confident	42 Å²	42	36.6 Å²	36.6	35%	0.347	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.4	176.4	0	0	0	0	0	113.1	I521 R708 I709 S710 R769	I521-A712 HydrophobicContact CG2-CB 3.55Å; R708-A712 WeakPolarHBondContact O-CB 3.1Å; R708-A712 PolarHBondContact O-N 3.01Å; I709-A712 PolarHBondContact O-N 3.09Å; S710-A712 VanDerWaalsContact C-N 3.33Å; S710-A712 PolarHBondContact O-N 3.01Å; A712-R769 PolarHBondContact O-NH1 2.87Å
713	G	80	Confident	83.7	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.01	17%	0.173	C	C	.	.	S	Bend	trans	-92.3	-141.5	170.3	0	0	0	0	0	113.1	Y511 I709 S710 A711 P715 R769	Y511-G713 WeakPolarHBondContact OH-CA 3.41Å; I709-G713 PolarHBondContact O-N 2.79Å; S710-G713 PolarHBondContact O-N 3.38Å; A711-G713 PolarHBondContact O-N 2.94Å; G713-P715 WeakPolarHBondContact O-CD 3.4Å; G713-R769 VanDerWaalsContact O-CD 3.28Å; G713-R769 WeakPolarHBondContact O-CD 3.49Å; G713-R769 PolarHBondContact O-NH1 3.31Å
714	F	81.8	Confident	83.7	Confident	4 Å²	4	36.9 Å²	36.9	2%	0.018	18%	0.176	C	C	.	.			trans	-115.4	82.5	171.8	-62.7	-82.4	0	0	0	110.2	Y511 I516 R760 F767 F768 R769	Y511-F714 HydrophobicContact CE1-CB 4.41Å; Y511-F714 HydrophobicContact CE1-CD2 4.2Å; Y511-F714 HydrophobicContact CE2-CD2 4.37Å; Y511-F714 AromaticContact CZ-CD2 3.92Å; Y511-F714 PolarHBondContact OH-N 2.74Å; I516-F714 HydrophobicContact CG2-CE2 4.45Å; F714-R760 HydrophobicContact CE1-CB 4.35Å; F714-R760 HydrophobicContact CE1-CG 3.78Å; F714-R760 HydrophobicContact CE2-CG 3.91Å; F714-R760 HydrophobicContact CZ-CB 4.26Å; F714-R760 HydrophobicContact CZ-CG 3.36Å; F714-F767 HydrophobicContact CB-CB 3.72Å; F714-F767 HydrophobicContact CB-CD1 4.04Å; F714-F767 HydrophobicContact CB-CG 4.37Å; F714-F767 HydrophobicContact CD1-CB 4.24Å; F714-F767 HydrophobicContact CG-CB 3.98Å; F714-F768 CarbonylContact C-O 3.56Å; F714-F768 VanDerWaalsContact CA-O 3.29Å; F714-F768 WeakPolarHBondContact CA-O 3.15Å; F714-R769 HydrophobicContact CD1-CG 4.09Å; F714-R769 HydrophobicContact CE1-CG 3.85Å
715	P	76.5	Confident	83.7	Confident	10 Å²	10	44.2 Å²	44.2	7%	0.065	20%	0.203	C	C	.	.			trans	-70.4	-36.5	-170	26.6	-37.5	0	0	0	114.3	M101 S710 G713 F768	M101-P715 HydrophobicContact CE-CB 3.08Å; M101-P715 HydrophobicContact CE-CG 3.28Å; M101-P715 HydrophobicContact SD-CB 4.17Å; S710-P715 WeakPolarHBondContact O-CD 3.39Å; G713-P715 WeakPolarHBondContact O-CD 3.4Å; P715-F768 WeakPolarHBondContact CD-O 3.11Å
716	S	80.9	Confident	84.1	Confident	6 Å²	6	47 Å²	47	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	120.2	-177	-82.1	0	0	0	0	110.5	F768 V773	S716-F768 PolarHBondContact O-N 3.12Å; S716-V773 VanDerWaalsContact CB-CG2 3.5Å; S716-V773 WeakPolarHBondContact OG-CG2 3.26Å
717	R	85.2	Confident	84.5	Confident	80 Å²	80	46.8 Å²	46.8	30%	0.302	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.5	-173.2	-50.2	173.5	-169.5	164.2	2.2	110	E507 E510 V766 F767	E507-R717 IonicContact OE1-CZ 3.85Å; E507-R717 IonicContact OE1-NH2 3.5Å; E507-R717 PolarHBondContact OE1-NH2 2.92Å; E507-R717 IonicContact OE2-NH2 3.26Å; E507-R717 PolarHBondContact OE2-NH2 3.26Å; E510-R717 IonicContact OE1-CZ 2.73Å; E510-R717 IonicContact OE1-NE 3.06Å; E510-R717 IonicContact OE1-NH1 2.68Å; E510-R717 PolarHBondContact OE1-NH1 2.84Å; E510-R717 IonicContact OE2-CZ 2.8Å; E510-R717 VanDerWaalsContact OE2-CZ 3.31Å; E510-R717 IonicContact OE2-NH1 2.87Å; E510-R717 PolarHBondContact OE2-NH1 3.14Å; E510-R717 IonicContact OE2-NH2 3.42Å; R717-V766 WeakPolarHBondContact CA-O 3.38Å; R717-F767 HydrophobicContact CB-CE1 4.4Å; R717-F767 HydrophobicContact CG-CD1 3.77Å; R717-F767 HydrophobicContact CG-CE1 3.69Å
718	W	87.4	Confident	84.7	Confident	68 Å²	68	50.6 Å²	50.6	26%	0.258	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	133.6	-178.8	-69.6	70.4	0	0	0	111.1	Y720 D722 F723 Q765 V766	W718-Y720 PolarHBondContact O-N 2.89Å; W718-D722 HydrophobicContact CE3-CB 4.35Å; W718-F723 HydrophobicContact CB-CB 3.93Å; W718-F723 HydrophobicContact CB-CD2 4.15Å; W718-F723 HydrophobicContact CD2-CD2 4.46Å; W718-F723 HydrophobicContact CG-CD2 4.17Å; W718-Q765 CarbonylContact O-C 3.55Å; W718-Q765 VanDerWaalsContact O-CA 3.28Å; W718-Q765 WeakPolarHBondContact O-CA 3.44Å; W718-Q765 WeakPolarHBondContact O-CB 3.41Å; W718-V766 HydrophobicContact CB-CG1 3.9Å; W718-V766 PolarHBondContact N-O 2.99Å; W718-V766 WeakPolarHBondContact O-CG1 3.47Å; W718-V766 PolarHBondContact O-N 3.47Å
719	K	89.4	Confident	85	Confident	122 Å²	122	46 Å²	46	53%	0.53	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	139.1	164.2	-68	-177.5	179.7	178.6	0	109.3	E721 D722 F723 Q765	K719-E721 PolarHBondContact O-N 2.82Å; K719-D722 HydrophobicContact CB-CB 4.46Å; K719-D722 PolarHBondContact O-N 3.35Å; K719-D722 VanDerWaalsContact O-N 3.14Å; K719-F723 PolarHBondContact O-N 3.39Å; K719-Q765 HydrophobicContact CG-CG 4.21Å
720	Y	92	Very high	85.5	Confident	18 Å²	18	46.7 Å²	46.7	7%	0.071	22%	0.217	C	C	.	.	H	α-helix	trans	-56	-38.9	-177.9	-69.5	-57.6	0	0	0	112.8	W718 A724 R743 C746 L761 G762 T764 Q765 V766	W718-Y720 PolarHBondContact O-N 2.89Å; Y720-A724 WeakPolarHBondContact O-CB 3.46Å; Y720-A724 PolarHBondContact O-N 3.33Å; Y720-R743 HydrophobicContact CD1-CB 4.18Å; Y720-R743 HydrophobicContact CD1-CG 4.29Å; Y720-R743 HydrophobicContact CD2-CB 4.07Å; Y720-R743 HydrophobicContact CD2-CG 4.35Å; Y720-R743 HydrophobicContact CE1-CB 4.32Å; Y720-R743 HydrophobicContact CE1-CG 3.93Å; Y720-R743 HydrophobicContact CE2-CB 4.2Å; Y720-R743 HydrophobicContact CE2-CG 3.97Å; Y720-R743 HydrophobicContact CG-CB 4.05Å; Y720-R743 HydrophobicContact CG-CG 4.49Å; Y720-C746 HydrophobicContact CD1-CB 3.87Å; Y720-C746 HydrophobicContact CE1-CB 4.32Å; Y720-C746 PolarHBondContact O-SG 2.88Å; Y720-L761 HydrophobicContact CE1-CD2 3.83Å; Y720-G762 PolarHBondContact OH-N 3.43Å; Y720-G762 PolarHBondContact OH-O 3.24Å; Y720-T764 VanDerWaalsContact CD2-O 3.26Å; Y720-T764 WeakPolarHBondContact CD2-O 3.38Å; Y720-T764 VanDerWaalsContact CE2-C 3.49Å; Y720-Q765 PolarHBondContact OH-O 2.86Å; Y720-V766 HydrophobicContact CD1-CB 4.31Å; Y720-V766 HydrophobicContact CE1-CB 3.86Å
721	E	89.8	Confident	85.8	Confident	123 Å²	123	46.3 Å²	46.3	58%	0.575	21%	0.214	S	C	*	.	H	α-helix	trans	-63.9	-46.5	178.4	-65.4	-177	179.1	0	0	112.6	K719 R725 P742	K719-E721 PolarHBondContact O-N 2.82Å; E721-R725 VanDerWaalsContact O-CB 3.22Å; E721-R725 WeakPolarHBondContact O-CB 3.44Å; E721-R725 PolarHBondContact O-N 3.08Å; E721-P742 HydrophobicContact CG-CB 4.32Å; E721-P742 HydrophobicContact CG-CG 4.2Å
722	D	88.4	Confident	85.7	Confident	63 Å²	63	52.6 Å²	52.6	34%	0.337	24%	0.237	S	C	.	.	H	α-helix	trans	-69	-41.6	-177.9	-63	-35.3	0	0	0	111.2	W718 K719 R725 R726	W718-D722 HydrophobicContact CE3-CB 4.35Å; K719-D722 HydrophobicContact CB-CB 4.46Å; K719-D722 PolarHBondContact O-N 3.35Å; K719-D722 VanDerWaalsContact O-N 3.14Å; D722-R725 IonicContact OD1-CZ 3.85Å; D722-R725 IonicContact OD1-NH1 3.35Å; D722-R725 PolarHBondContact OD1-NH1 2.83Å; D722-R725 IonicContact OD1-NH2 2.89Å; D722-R726 WeakPolarHBondContact O-CB 3.27Å; D722-R726 PolarHBondContact O-N 3.16Å
723	F	90.3	Very high	85.3	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.4	-52	174.4	-174.7	-85.1	0	0	0	111.4	W718 K719 R725 R726 Y727 C746 I749 V766 F768 L776	W718-F723 HydrophobicContact CB-CB 3.93Å; W718-F723 HydrophobicContact CB-CD2 4.15Å; W718-F723 HydrophobicContact CD2-CD2 4.46Å; W718-F723 HydrophobicContact CG-CD2 4.17Å; K719-F723 PolarHBondContact O-N 3.39Å; F723-R725 VanDerWaalsContact C-N 3.28Å; F723-R725 PolarHBondContact O-N 2.82Å; F723-R726 PolarHBondContact O-N 3.06Å; F723-Y727 HydrophobicContact CD1-CD2 4.08Å; F723-Y727 AromaticContact CD2-CD2 3.42Å; F723-Y727 HydrophobicContact CD2-CD2 3.42Å; F723-Y727 VanDerWaalsContact CD2-CD2 3.42Å; F723-Y727 AromaticContact CD2-CE2 3.59Å; F723-Y727 HydrophobicContact CD2-CE2 3.59Å; F723-Y727 HydrophobicContact CE1-CD2 4.05Å; F723-Y727 HydrophobicContact CE1-CG 4.44Å; F723-Y727 AromaticContact CE2-CD2 3.33Å; F723-Y727 HydrophobicContact CE2-CD2 3.33Å; F723-Y727 AromaticContact CE2-CE2 3.52Å; F723-Y727 HydrophobicContact CE2-CE2 3.52Å; F723-Y727 HydrophobicContact CE2-CG 4.19Å; F723-Y727 AromaticContact CG-CD2 3.82Å; F723-Y727 HydrophobicContact CG-CD2 3.82Å; F723-Y727 HydrophobicContact CG-CE2 4.37Å; F723-Y727 AromaticContact CZ-CD2 3.68Å; F723-Y727 HydrophobicContact CZ-CD2 3.68Å; F723-Y727 HydrophobicContact CZ-CE2 4.29Å; F723-Y727 HydrophobicContact CZ-CG 4.14Å; F723-Y727 WeakPolarHBondContact O-CD2 3.27Å; F723-Y727 PolarHBondContact O-N 3.25Å; F723-C746 HydrophobicContact CD1-CB 3.87Å; F723-C746 WeakPolarHBondContact CD1-SG 3.31Å; F723-C746 HydrophobicContact CE1-CB 4.21Å; F723-I749 HydrophobicContact CE1-CB 4.13Å; F723-I749 HydrophobicContact CE1-CD1 4.05Å; F723-I749 HydrophobicContact CE1-CG2 4.02Å; F723-I749 HydrophobicContact CZ-CG2 4.16Å; F723-V766 HydrophobicContact CB-CG1 4.25Å; F723-V766 HydrophobicContact CD2-CG1 4.03Å; F723-V766 HydrophobicContact CG-CG1 4.07Å; F723-F768 AromaticContact CD2-CE2 3.8Å; F723-F768 HydrophobicContact CD2-CE2 3.8Å; F723-F768 AromaticContact CD2-CZ 3.87Å; F723-F768 HydrophobicContact CD2-CZ 3.87Å; F723-F768 HydrophobicContact CE2-CE1 4.28Å; F723-F768 AromaticContact CE2-CE2 3.52Å; F723-F768 HydrophobicContact CE2-CE2 3.52Å; F723-F768 AromaticContact CE2-CZ 3.21Å; F723-F768 HydrophobicContact CE2-CZ 3.21Å; F723-F768 HydrophobicContact CZ-CE1 4.49Å; F723-F768 HydrophobicContact CZ-CE2 4.4Å; F723-F768 AromaticContact CZ-CZ 3.66Å; F723-F768 HydrophobicContact CZ-CZ 3.66Å; F723-L776 HydrophobicContact CE2-CD1 3.63Å; F723-L776 HydrophobicContact CZ-CD1 3.71Å
724	A	88.9	Confident	84.7	Confident	6 Å²	6	67.1 Å²	67.1	5%	0.05	30%	0.299	C	S	.	.	H	α-helix	trans	-60.7	-40.2	-178.1	0	0	0	0	0	110.9	Y720 F728 P742 R745	Y720-A724 WeakPolarHBondContact O-CB 3.46Å; Y720-A724 PolarHBondContact O-N 3.33Å; A724-F728 WeakPolarHBondContact O-CA 3.43Å; A724-F728 VanDerWaalsContact O-CB 3.24Å; A724-F728 WeakPolarHBondContact O-CB 3.43Å; A724-F728 PolarHBondContact O-N 3.23Å; A724-P742 HydrophobicContact CB-CB 4.28Å; A724-R745 HydrophobicContact CB-CB 4.34Å
725	R	88.2	Confident	84	Confident	165 Å²	165	71.4 Å²	71.4	62%	0.623	32%	0.318	S	S	*	.	H	α-helix	trans	-63.6	-45.8	176.8	-167.3	-173.5	-56.9	114.8	3	111.7	E721 D722 F723	E721-R725 VanDerWaalsContact O-CB 3.22Å; E721-R725 WeakPolarHBondContact O-CB 3.44Å; E721-R725 PolarHBondContact O-N 3.08Å; D722-R725 IonicContact OD1-CZ 3.85Å; D722-R725 IonicContact OD1-NH1 3.35Å; D722-R725 PolarHBondContact OD1-NH1 2.83Å; D722-R725 IonicContact OD1-NH2 2.89Å; F723-R725 VanDerWaalsContact C-N 3.28Å; F723-R725 PolarHBondContact O-N 2.82Å
726	R	88.9	Confident	83.5	Confident	82 Å²	82	75 Å²	75	31%	0.309	33%	0.33	S	S	.	.	H	α-helix	trans	-71.5	-45.2	-176.9	-174.3	175.1	-178.2	98.9	2.6	113	D722 F723 E777	D722-R726 WeakPolarHBondContact O-CB 3.27Å; D722-R726 PolarHBondContact O-N 3.16Å; F723-R726 PolarHBondContact O-N 3.06Å; R726-E777 IonicContact CZ-OE2 2.97Å; R726-E777 IonicContact NE-OE2 2.8Å; R726-E777 PolarHBondContact NE-OE2 2.86Å; R726-E777 VanDerWaalsContact NE-OE2 3.12Å; R726-E777 VanDerWaalsContact NH2-CD 3.34Å; R726-E777 IonicContact NH2-OE1 3.45Å; R726-E777 PolarHBondContact NH2-OE1 3.12Å; R726-E777 IonicContact NH2-OE2 3.14Å; R726-E777 PolarHBondContact NH2-OE2 3.35Å
727	Y	89.4	Confident	82.7	Confident	1 Å²	1	77.5 Å²	77.5	0%	0.004	35%	0.347	C	S	.	.	H	α-helix	trans	-97.3	6.9	-173.1	-62.3	-72.1	0	0	0	113.7	F723 I729 L730 L776	F723-Y727 HydrophobicContact CD1-CD2 4.08Å; F723-Y727 AromaticContact CD2-CD2 3.42Å; F723-Y727 HydrophobicContact CD2-CD2 3.42Å; F723-Y727 VanDerWaalsContact CD2-CD2 3.42Å; F723-Y727 AromaticContact CD2-CE2 3.59Å; F723-Y727 HydrophobicContact CD2-CE2 3.59Å; F723-Y727 HydrophobicContact CE1-CD2 4.05Å; F723-Y727 HydrophobicContact CE1-CG 4.44Å; F723-Y727 AromaticContact CE2-CD2 3.33Å; F723-Y727 HydrophobicContact CE2-CD2 3.33Å; F723-Y727 AromaticContact CE2-CE2 3.52Å; F723-Y727 HydrophobicContact CE2-CE2 3.52Å; F723-Y727 HydrophobicContact CE2-CG 4.19Å; F723-Y727 AromaticContact CG-CD2 3.82Å; F723-Y727 HydrophobicContact CG-CD2 3.82Å; F723-Y727 HydrophobicContact CG-CE2 4.37Å; F723-Y727 AromaticContact CZ-CD2 3.68Å; F723-Y727 HydrophobicContact CZ-CD2 3.68Å; F723-Y727 HydrophobicContact CZ-CE2 4.29Å; F723-Y727 HydrophobicContact CZ-CG 4.14Å; F723-Y727 WeakPolarHBondContact O-CD2 3.27Å; F723-Y727 PolarHBondContact O-N 3.25Å; Y727-I729 PolarHBondContact O-N 2.76Å; Y727-L730 HydrophobicContact CD1-CD1 3.78Å; Y727-L730 HydrophobicContact CG-CD1 4.38Å; Y727-L730 VanDerWaalsContact O-CB 3.3Å; Y727-L730 WeakPolarHBondContact O-CB 3.25Å; Y727-L730 PolarHBondContact O-N 2.84Å; Y727-L776 HydrophobicContact CD1-CB 4.13Å; Y727-L776 HydrophobicContact CE1-CB 3.69Å
728	F	88	Confident	81.6	Confident	80 Å²	80	79 Å²	79	35%	0.351	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-49.5	-35.8	177.6	-174.2	-109.2	0	0	0	113.7	A724 L730 L731 R736	A724-F728 WeakPolarHBondContact O-CA 3.43Å; A724-F728 VanDerWaalsContact O-CB 3.24Å; A724-F728 WeakPolarHBondContact O-CB 3.43Å; A724-F728 PolarHBondContact O-N 3.23Å; F728-L730 PolarHBondContact O-N 3.29Å; F728-L731 HydrophobicContact CD2-CD1 3.91Å; F728-L731 HydrophobicContact CE2-CD1 4.13Å; F728-L731 WeakPolarHBondContact O-CB 3.32Å; F728-L731 PolarHBondContact O-N 2.85Å; F728-L731 VanDerWaalsContact O-N 3.13Å; F728-R736 HydrophobicContact CZ-CB 4.45Å; F728-R736 HydrophobicContact CZ-CG 4.18Å
729	I	87.7	Confident	80.4	Confident	49 Å²	49	84.5 Å²	84.5	25%	0.251	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-62.2	-24.8	-179.2	-164.7	170.1	0	0	0	113.2	Y727 L731 R736 R780 R783 Q784	Y727-I729 PolarHBondContact O-N 2.76Å; I729-L731 VanDerWaalsContact C-N 3.34Å; I729-R736 PolarHBondContact O-NH2 2.97Å; I729-R780 HydrophobicContact CG2-CG 3.62Å; I729-R783 HydrophobicContact CD1-CG 4.37Å; I729-R783 HydrophobicContact CG1-CG 4.02Å; I729-Q784 HydrophobicContact CD1-CG 3.85Å
730	L	87.3	Confident	79.6	Confident	21 Å²	21	81 Å²	81	11%	0.11	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-74.8	-22.1	178.7	-61.7	-179.3	0	0	0	112.7	Y727 F728 K732 I749 L753 L776 A779 R780 R783	Y727-L730 HydrophobicContact CD1-CD1 3.78Å; Y727-L730 HydrophobicContact CG-CD1 4.38Å; Y727-L730 VanDerWaalsContact O-CB 3.3Å; Y727-L730 WeakPolarHBondContact O-CB 3.25Å; Y727-L730 PolarHBondContact O-N 2.84Å; F728-L730 PolarHBondContact O-N 3.29Å; L730-K732 PolarHBondContact O-N 3.02Å; L730-I749 HydrophobicContact CB-CG2 4.33Å; L730-I749 HydrophobicContact CD1-CG2 4.32Å; L730-L753 HydrophobicContact CB-CD1 4.29Å; L730-L753 HydrophobicContact CD1-CD1 3.78Å; L730-L753 HydrophobicContact CG-CD1 4.43Å; L730-L776 HydrophobicContact CD1-CD2 4.21Å; L730-A779 HydrophobicContact CD2-CB 4.11Å; L730-R780 HydrophobicContact CD2-CB 4.27Å; L730-R783 HydrophobicContact CD2-CB 4.4Å
731	L	84.5	Confident	79.1	Confident	6 Å²	6	83.8 Å²	83.8	3%	0.031	40%	0.403	C	S	.	.	S	Bend	trans	-64.2	128	175.7	-75.5	167.5	0	0	0	111.2	F728 I729 R736 R745 L748 I749	F728-L731 HydrophobicContact CD2-CD1 3.91Å; F728-L731 HydrophobicContact CE2-CD1 4.13Å; F728-L731 WeakPolarHBondContact O-CB 3.32Å; F728-L731 PolarHBondContact O-N 2.85Å; F728-L731 VanDerWaalsContact O-N 3.13Å; I729-L731 VanDerWaalsContact C-N 3.34Å; L731-R736 HydrophobicContact CB-CG 4.13Å; L731-R736 PolarHBondContact O-NE 3.36Å; L731-R736 PolarHBondContact O-NH2 3.45Å; L731-R745 HydrophobicContact CD1-CB 4.2Å; L731-R745 HydrophobicContact CD1-CG 4.24Å; L731-L748 HydrophobicContact CD2-CB 3.93Å; L731-I749 HydrophobicContact CD1-CD1 4.21Å; L731-I749 HydrophobicContact CD1-CG1 4.25Å; L731-I749 HydrophobicContact CD2-CD1 4.42Å; L731-I749 HydrophobicContact CD2-CG1 3.58Å; L731-I749 HydrophobicContact CG-CD1 3.95Å; L731-I749 HydrophobicContact CG-CG1 3.54Å
732	K	76.1	Confident	78.9	Confident	158 Å²	158	80.2 Å²	80.2	69%	0.687	39%	0.391	S	S	*	.			trans	-60.4	141.8	170.9	-65.9	-175.8	-178.5	178.7	0	109.8	L730 L734 K735	L730-K732 PolarHBondContact O-N 3.02Å; K732-L734 PolarHBondContact O-N 3.34Å; K732-L734 VanDerWaalsContact O-N 3.12Å; K732-K735 PolarHBondContact O-N 2.99Å
733	K	70.7	Confident	78.9	Confident	170 Å²	170	82 Å²	82	74%	0.739	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-51.9	-39.6	-175	-70.8	-175	177.8	-178.3	0	113.8	K735 R736	K733-K735 PolarHBondContact O-N 3.4Å; K733-R736 PolarHBondContact O-N 2.83Å
734	L	67.1	Low	78.7	Confident	178 Å²	178	84.5 Å²	84.5	93%	0.932	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-63.4	-23.5	179.7	-69.1	166	0	0	0	113.6	K732	K732-L734 PolarHBondContact O-N 3.34Å; K732-L734 VanDerWaalsContact O-N 3.12Å
735	K	67	Low	78.6	Confident	93 Å²	93	87 Å²	87	40%	0.404	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-99.8	8.5	-179.5	-64.3	-170.9	172.4	-169.5	0	113.2	K732 K733 S737 L748	K732-K735 PolarHBondContact O-N 2.99Å; K733-K735 PolarHBondContact O-N 3.4Å; K735-S737 PolarHBondContact O-N 2.83Å; K735-S737 VanDerWaalsContact O-N 3.15Å; K735-L748 HydrophobicContact CD-CD2 4.23Å
736	R	65.7	Low	78.7	Confident	86 Å²	86	79.2 Å²	79.2	33%	0.325	39%	0.387	S	S	.	.			trans	-88.7	49.2	180	-63.7	-177.1	-175.9	-176	-5.7	111.5	F728 I729 L731 K733	F728-R736 HydrophobicContact CZ-CB 4.45Å; F728-R736 HydrophobicContact CZ-CG 4.18Å; I729-R736 PolarHBondContact O-NH2 2.97Å; L731-R736 HydrophobicContact CB-CG 4.13Å; L731-R736 PolarHBondContact O-NE 3.36Å; L731-R736 PolarHBondContact O-NH2 3.45Å; K733-R736 PolarHBondContact O-N 2.83Å
737	S	64.4	Low	78.7	Confident	58 Å²	58	77.4 Å²	77.4	41%	0.406	38%	0.382	S	S	.	.			trans	-68.1	134.6	174.5	-178.3	0	0	0	0	110.1	K735 Q739	K735-S737 PolarHBondContact O-N 2.83Å; K735-S737 VanDerWaalsContact O-N 3.15Å; S737-Q739 PolarHBondContact O-N 2.87Å
738	S	62.6	Low	78.6	Confident	113 Å²	113	79.1 Å²	79.1	79%	0.79	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.2	-179.8	-63.1	0	0	0	0	113.3	R745	S738-R745 PolarHBondContact O-NH2 3.25Å
739	Q	62.8	Low	78.7	Confident	182 Å²	182	75.3 Å²	75.3	85%	0.85	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.3	-173.9	-70.1	-174.9	-20.6	0	0	114.8	S737	S737-Q739 PolarHBondContact O-N 2.87Å
740	E	71.2	Confident	78.7	Confident	48 Å²	48	73 Å²	73	22%	0.224	36%	0.362	C	S	.	.			trans	-78.6	135.2	-177.4	-69.5	178.1	-175.7	0	0	112.9	T744 R745 L748	E740-T744 HydrophobicContact CG-CG2 4.35Å; E740-R745 HydrophobicContact CB-CG 3.95Å; E740-R745 PolarHBondContact O-NE 3.01Å; E740-R745 PolarHBondContact O-NH2 2.85Å; E740-R745 VanDerWaalsContact O-NH2 3.16Å; E740-L748 WeakPolarHBondContact OE2-CD1 3.38Å
741	T	83.3	Confident	78.8	Confident	77 Å²	77	79.1 Å²	79.1	47%	0.472	38%	0.384	S	S	.	.			trans	-64.8	154.5	173.4	73.3	0	0	0	0	111.1	R743 T744 R745	T741-R743 PolarHBondContact O-N 3.21Å; T741-T744 PolarHBondContact O-N 2.94Å; T741-T744 VanDerWaalsContact O-N 3.11Å; T741-T744 PolarHBondContact OG1-N 3.22Å; T741-T744 PolarHBondContact OG1-OG1 2.83Å; T741-R745 PolarHBondContact O-N 3.45Å; T741-R745 VanDerWaalsContact O-N 3.07Å
742	P	84.7	Confident	78.8	Confident	48 Å²	48	81.6 Å²	81.6	31%	0.312	40%	0.402	S	S	.	.	H	α-helix	trans	-52.3	-40.4	175.5	-27.7	35.2	0	0	0	113	E721 A724 R745 C746	E721-P742 HydrophobicContact CG-CB 4.32Å; E721-P742 HydrophobicContact CG-CG 4.2Å; A724-P742 HydrophobicContact CB-CB 4.28Å; P742-R745 PolarHBondContact O-N 3.41Å; P742-C746 PolarHBondContact O-N 2.98Å; P742-C746 PolarHBondContact O-SG 3.22Å
743	R	87.9	Confident	79.2	Confident	102 Å²	102	78.1 Å²	78.1	39%	0.385	39%	0.39	S	S	.	.	H	α-helix	trans	-60.4	-47.5	176.9	179.5	175.5	179	155.1	6.5	112.4	Y720 T741 R745 C746 E747 G762	Y720-R743 HydrophobicContact CD1-CB 4.18Å; Y720-R743 HydrophobicContact CD1-CG 4.29Å; Y720-R743 HydrophobicContact CD2-CB 4.07Å; Y720-R743 HydrophobicContact CD2-CG 4.35Å; Y720-R743 HydrophobicContact CE1-CB 4.32Å; Y720-R743 HydrophobicContact CE1-CG 3.93Å; Y720-R743 HydrophobicContact CE2-CB 4.2Å; Y720-R743 HydrophobicContact CE2-CG 3.97Å; Y720-R743 HydrophobicContact CG-CB 4.05Å; Y720-R743 HydrophobicContact CG-CG 4.49Å; T741-R743 PolarHBondContact O-N 3.21Å; R743-R745 VanDerWaalsContact C-N 3.31Å; R743-R745 PolarHBondContact O-N 3.06Å; R743-C746 WeakPolarHBondContact O-CB 3.44Å; R743-C746 PolarHBondContact O-N 3.14Å; R743-E747 PolarHBondContact O-N 2.79Å; R743-G762 VanDerWaalsContact CZ-O 3.29Å; R743-G762 PolarHBondContact NH1-O 3.26Å; R743-G762 PolarHBondContact NH2-O 3.38Å; R743-G762 VanDerWaalsContact NH2-O 3.16Å
744	T	87.3	Confident	79.9	Confident	51 Å²	51	70.9 Å²	70.9	31%	0.313	36%	0.36	S	S	.	.	H	α-helix	trans	-62	-40.3	178.1	-48.6	0	0	0	0	111.3	E740 T741 E747 L748	E740-T744 HydrophobicContact CG-CG2 4.35Å; T741-T744 PolarHBondContact O-N 2.94Å; T741-T744 VanDerWaalsContact O-N 3.11Å; T741-T744 PolarHBondContact OG1-N 3.22Å; T741-T744 PolarHBondContact OG1-OG1 2.83Å; T744-E747 PolarHBondContact O-N 2.78Å; T744-L748 HydrophobicContact CG2-CD1 4.36Å; T744-L748 VanDerWaalsContact O-CG 3.31Å; T744-L748 WeakPolarHBondContact O-CG 3.46Å; T744-L748 PolarHBondContact O-N 2.76Å
745	R	86.4	Confident	80.7	Confident	60 Å²	60	66.3 Å²	66.3	23%	0.226	33%	0.334	C	S	.	.	H	α-helix	trans	-63.3	-43.2	175.6	-69.1	-178.8	-170.1	155.5	7.3	112	A724 L731 S738 E740 T741 P742 R743 L748 I749	A724-R745 HydrophobicContact CB-CB 4.34Å; L731-R745 HydrophobicContact CD1-CB 4.2Å; L731-R745 HydrophobicContact CD1-CG 4.24Å; S738-R745 PolarHBondContact O-NH2 3.25Å; E740-R745 HydrophobicContact CB-CG 3.95Å; E740-R745 PolarHBondContact O-NE 3.01Å; E740-R745 PolarHBondContact O-NH2 2.85Å; E740-R745 VanDerWaalsContact O-NH2 3.16Å; T741-R745 PolarHBondContact O-N 3.45Å; T741-R745 VanDerWaalsContact O-N 3.07Å; P742-R745 PolarHBondContact O-N 3.41Å; R743-R745 VanDerWaalsContact C-N 3.31Å; R743-R745 PolarHBondContact O-N 3.06Å; R745-L748 PolarHBondContact O-N 2.97Å; R745-I749 VanDerWaalsContact O-CG1 3.28Å; R745-I749 WeakPolarHBondContact O-CG1 3.41Å; R745-I749 PolarHBondContact O-N 3.24Å
746	C	89.4	Confident	81.3	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-57.2	-51.1	174.3	-65.5	0	0	0	0	110.9	Y720 F723 P742 R743 L748 I749 C750	Y720-C746 HydrophobicContact CD1-CB 3.87Å; Y720-C746 HydrophobicContact CE1-CB 4.32Å; Y720-C746 PolarHBondContact O-SG 2.88Å; F723-C746 HydrophobicContact CD1-CB 3.87Å; F723-C746 WeakPolarHBondContact CD1-SG 3.31Å; F723-C746 HydrophobicContact CE1-CB 4.21Å; P742-C746 PolarHBondContact O-N 2.98Å; P742-C746 PolarHBondContact O-SG 3.22Å; R743-C746 WeakPolarHBondContact O-CB 3.44Å; R743-C746 PolarHBondContact O-N 3.14Å; C746-L748 VanDerWaalsContact C-N 3.33Å; C746-L748 PolarHBondContact O-N 3.46Å; C746-I749 PolarHBondContact O-N 3.23Å; C746-I749 VanDerWaalsContact O-N 3.16Å; C746-C750 WeakPolarHBondContact O-CB 3.23Å; C746-C750 PolarHBondContact O-N 2.97Å; C746-C750 PolarHBondContact O-SG 3.15Å
747	E	89.2	Confident	82.1	Confident	44 Å²	44	68.4 Å²	68.4	21%	0.206	35%	0.351	C	S	.	.	H	α-helix	trans	-56.8	-44	178.2	-179.1	173.2	-167.5	0	0	112.4	R743 T744 I749 C750 R751 L761	R743-E747 PolarHBondContact O-N 2.79Å; T744-E747 PolarHBondContact O-N 2.78Å; E747-I749 PolarHBondContact O-N 3.34Å; E747-C750 PolarHBondContact O-N 2.78Å; E747-R751 HydrophobicContact CG-CG 4.49Å; E747-R751 WeakPolarHBondContact O-CB 3.5Å; E747-R751 WeakPolarHBondContact O-CG 3.26Å; E747-R751 PolarHBondContact O-N 2.83Å; E747-R751 IonicContact OE1-CZ 3.56Å; E747-R751 IonicContact OE1-NE 3.43Å; E747-R751 IonicContact OE1-NH1 2.72Å; E747-R751 PolarHBondContact OE1-NH1 3.23Å; E747-R751 IonicContact OE1-NH2 2.6Å; E747-R751 PolarHBondContact OE1-NH2 2.93Å; E747-L761 HydrophobicContact CB-CD1 3.7Å; E747-L761 HydrophobicContact CG-CD1 3.66Å
748	L	88	Confident	83	Confident	37 Å²	37	65.8 Å²	65.8	19%	0.194	33%	0.333	C	S	.	.	H	α-helix	trans	-65.4	-36.4	177.9	-72.8	173.1	0	0	0	113.3	L731 K735 E740 T744 R745 C746 S752	L731-L748 HydrophobicContact CD2-CB 3.93Å; K735-L748 HydrophobicContact CD-CD2 4.23Å; E740-L748 WeakPolarHBondContact OE2-CD1 3.38Å; T744-L748 HydrophobicContact CG2-CD1 4.36Å; T744-L748 VanDerWaalsContact O-CG 3.31Å; T744-L748 WeakPolarHBondContact O-CG 3.46Å; T744-L748 PolarHBondContact O-N 2.76Å; R745-L748 PolarHBondContact O-N 2.97Å; C746-L748 VanDerWaalsContact C-N 3.33Å; C746-L748 PolarHBondContact O-N 3.46Å; L748-S752 VanDerWaalsContact O-CB 3.31Å; L748-S752 WeakPolarHBondContact O-CB 3.5Å; L748-S752 PolarHBondContact O-N 3.33Å; L748-S752 PolarHBondContact O-OG 3.03Å
749	I	88.7	Confident	84.2	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.9	-54.1	174.6	-67.6	163.9	0	0	0	109.1	F723 L730 L731 R745 C746 E747 S752 L753 L776	F723-I749 HydrophobicContact CE1-CB 4.13Å; F723-I749 HydrophobicContact CE1-CD1 4.05Å; F723-I749 HydrophobicContact CE1-CG2 4.02Å; F723-I749 HydrophobicContact CZ-CG2 4.16Å; L730-I749 HydrophobicContact CB-CG2 4.33Å; L730-I749 HydrophobicContact CD1-CG2 4.32Å; L731-I749 HydrophobicContact CD1-CD1 4.21Å; L731-I749 HydrophobicContact CD1-CG1 4.25Å; L731-I749 HydrophobicContact CD2-CD1 4.42Å; L731-I749 HydrophobicContact CD2-CG1 3.58Å; L731-I749 HydrophobicContact CG-CD1 3.95Å; L731-I749 HydrophobicContact CG-CG1 3.54Å; R745-I749 VanDerWaalsContact O-CG1 3.28Å; R745-I749 WeakPolarHBondContact O-CG1 3.41Å; R745-I749 PolarHBondContact O-N 3.24Å; C746-I749 PolarHBondContact O-N 3.23Å; C746-I749 VanDerWaalsContact O-N 3.16Å; E747-I749 PolarHBondContact O-N 3.34Å; I749-S752 PolarHBondContact O-N 3.36Å; I749-S752 VanDerWaalsContact O-N 3.09Å; I749-S752 PolarHBondContact O-OG 2.97Å; I749-L753 PolarHBondContact O-N 3.32Å; I749-L776 HydrophobicContact CG2-CD2 4.32Å
750	C	89.4	Confident	85.5	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59	-52.3	-176.3	-63.6	0	0	0	0	111.5	C746 E747 S752 L753 L754 F759 F768	C746-C750 WeakPolarHBondContact O-CB 3.23Å; C746-C750 PolarHBondContact O-N 2.97Å; C746-C750 PolarHBondContact O-SG 3.15Å; E747-C750 PolarHBondContact O-N 2.78Å; C750-S752 PolarHBondContact O-N 2.68Å; C750-L753 PolarHBondContact O-N 3.07Å; C750-L753 VanDerWaalsContact O-N 3.14Å; C750-L754 HydrophobicContact CB-CD1 4.37Å; C750-L754 WeakPolarHBondContact O-CA 3.47Å; C750-L754 WeakPolarHBondContact O-CB 3.33Å; C750-L754 PolarHBondContact O-N 3.29Å; C750-F759 HydrophobicContact CB-CD1 3.84Å; C750-F759 HydrophobicContact CB-CD2 3.69Å; C750-F759 HydrophobicContact CB-CE1 3.67Å; C750-F759 HydrophobicContact CB-CE2 3.51Å; C750-F759 HydrophobicContact CB-CG 3.86Å; C750-F759 HydrophobicContact CB-CZ 3.51Å; C750-F768 VanDerWaalsContact SG-CE1 3.6Å
751	R	88	Confident	86.3	Confident	150 Å²	150	55.7 Å²	55.7	57%	0.566	27%	0.27	S	S	*	.	H	α-helix	trans	-62.7	-15.4	177.8	-72.4	-169.1	172.7	142.3	12	114.7	E747 F759	E747-R751 HydrophobicContact CG-CG 4.49Å; E747-R751 WeakPolarHBondContact O-CB 3.5Å; E747-R751 WeakPolarHBondContact O-CG 3.26Å; E747-R751 PolarHBondContact O-N 2.83Å; E747-R751 IonicContact OE1-CZ 3.56Å; E747-R751 IonicContact OE1-NE 3.43Å; E747-R751 IonicContact OE1-NH1 2.72Å; E747-R751 PolarHBondContact OE1-NH1 3.23Å; E747-R751 IonicContact OE1-NH2 2.6Å; E747-R751 PolarHBondContact OE1-NH2 2.93Å; R751-F759 HydrophobicContact CG-CE1 4.48Å; R751-F759 HydrophobicContact CG-CZ 3.78Å
752	S	84.8	Confident	86.6	Confident	58 Å²	58	52.1 Å²	52.1	41%	0.406	25%	0.249	S	C	.	.	H	α-helix	trans	-89.8	-18.3	179.5	73.9	0	0	0	0	114.1	L748 I749 C750	L748-S752 VanDerWaalsContact O-CB 3.31Å; L748-S752 WeakPolarHBondContact O-CB 3.5Å; L748-S752 PolarHBondContact O-N 3.33Å; L748-S752 PolarHBondContact O-OG 3.03Å; I749-S752 PolarHBondContact O-N 3.36Å; I749-S752 VanDerWaalsContact O-N 3.09Å; I749-S752 PolarHBondContact O-OG 2.97Å; C750-S752 PolarHBondContact O-N 2.68Å
753	L	84.3	Confident	86.7	Confident	85 Å²	85	55.4 Å²	55.4	45%	0.445	26%	0.26	S	S	.	.	H	α-helix	trans	-128.9	-22.2	-172.1	-68.6	174.1	0	0	0	113.6	L730 I749 C750 L776 A779	L730-L753 HydrophobicContact CB-CD1 4.29Å; L730-L753 HydrophobicContact CD1-CD1 3.78Å; L730-L753 HydrophobicContact CG-CD1 4.43Å; I749-L753 PolarHBondContact O-N 3.32Å; C750-L753 PolarHBondContact O-N 3.07Å; C750-L753 VanDerWaalsContact O-N 3.14Å; L753-L776 HydrophobicContact CB-CD2 4.37Å; L753-L776 HydrophobicContact CD1-CD2 3.86Å; L753-A779 HydrophobicContact CD1-CB 4.42Å
754	L	86.7	Confident	86.5	Confident	18 Å²	18	54.1 Å²	54.1	9%	0.094	26%	0.264	C	S	.	.	S	Bend	trans	-122.8	151.5	-172.1	-49.7	178.9	0	0	0	110.6	C750 A758 F759 F768 Q772 L776	C750-L754 HydrophobicContact CB-CD1 4.37Å; C750-L754 WeakPolarHBondContact O-CA 3.47Å; C750-L754 WeakPolarHBondContact O-CB 3.33Å; C750-L754 PolarHBondContact O-N 3.29Å; L754-A758 HydrophobicContact CB-CB 4.18Å; L754-F759 HydrophobicContact CB-CD1 4.13Å; L754-F759 HydrophobicContact CB-CE1 4.5Å; L754-F759 HydrophobicContact CD1-CD1 4.42Å; L754-F768 HydrophobicContact CD1-CD1 3.93Å; L754-F768 HydrophobicContact CD1-CE1 3.7Å; L754-Q772 HydrophobicContact CD1-CB 4.36Å; L754-Q772 HydrophobicContact CD2-CB 4.5Å; L754-L776 HydrophobicContact CD1-CD1 4.22Å; L754-L776 HydrophobicContact CD1-CD2 4.34Å; L754-L776 HydrophobicContact CD1-CG 4.36Å; L754-L776 HydrophobicContact CD2-CD2 4.3Å; L754-L776 HydrophobicContact CD2-CG 4.39Å; L754-L776 HydrophobicContact CG-CD2 4.37Å
755	E	83.1	Confident	86.7	Confident	83 Å²	83	53.9 Å²	53.9	39%	0.388	26%	0.259	S	S	.	.			trans	-68.6	161.2	171.9	-60.2	-170.1	142.2	0	0	112	N24 D757 A758 F759	N24-E755 PolarHBondContact ND2-OE2 3.48Å; N24-E755 PolarHBondContact OD1-OE2 2.86Å; N24-E755 VanDerWaalsContact OD1-OE2 3.09Å; E755-D757 VanDerWaalsContact C-N 3.32Å; E755-D757 WeakPolarHBondContact CB-OD1 3.4Å; E755-D757 PolarHBondContact O-N 2.93Å; E755-A758 HydrophobicContact CB-CB 4.4Å; E755-A758 WeakPolarHBondContact O-CB 3.43Å; E755-A758 PolarHBondContact O-N 2.9Å; E755-F759 WeakPolarHBondContact O-CD1 3.42Å; E755-F759 WeakPolarHBondContact O-CE1 3.35Å
756	E	79.4	Confident	86.9	Confident	150 Å²	150	51 Å²	51	70%	0.701	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-27.1	-176.2	-73.1	-162.8	154.1	0	0	113.8	R760	E756-R760 PolarHBondContact O-NH1 2.77Å
757	D	81.9	Confident	86.8	Confident	72 Å²	72	51 Å²	51	39%	0.385	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-15.9	177.6	65.5	-29.2	0	0	0	113.5	E755 F759 R769	E755-D757 VanDerWaalsContact C-N 3.32Å; E755-D757 WeakPolarHBondContact CB-OD1 3.4Å; E755-D757 PolarHBondContact O-N 2.93Å; D757-F759 VanDerWaalsContact C-N 3.28Å; D757-F759 PolarHBondContact O-N 3.06Å; D757-R769 WeakPolarHBondContact O-CG 3.5Å
758	A	83.7	Confident	86.8	Confident	4 Å²	4	49 Å²	49	3%	0.033	24%	0.239	C	C	.	.	S	Bend	trans	-70.1	-21.4	179.1	0	0	0	0	0	113.5	L754 E755 R769 Q772	L754-A758 HydrophobicContact CB-CB 4.18Å; E755-A758 HydrophobicContact CB-CB 4.4Å; E755-A758 WeakPolarHBondContact O-CB 3.43Å; E755-A758 PolarHBondContact O-N 2.9Å; A758-R769 WeakPolarHBondContact O-CG 2.87Å; A758-R769 PolarHBondContact O-N 3.21Å; A758-Q772 HydrophobicContact CB-CG 4Å
759	F	89.1	Confident	86.6	Confident	11 Å²	11	50.1 Å²	50.1	5%	0.048	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	160.3	-179.8	75.3	-79.2	0	0	0	113.9	C750 R751 L754 E755 D757 L761 V766 F767 F768	C750-F759 HydrophobicContact CB-CD1 3.84Å; C750-F759 HydrophobicContact CB-CD2 3.69Å; C750-F759 HydrophobicContact CB-CE1 3.67Å; C750-F759 HydrophobicContact CB-CE2 3.51Å; C750-F759 HydrophobicContact CB-CG 3.86Å; C750-F759 HydrophobicContact CB-CZ 3.51Å; R751-F759 HydrophobicContact CG-CE1 4.48Å; R751-F759 HydrophobicContact CG-CZ 3.78Å; L754-F759 HydrophobicContact CB-CD1 4.13Å; L754-F759 HydrophobicContact CB-CE1 4.5Å; L754-F759 HydrophobicContact CD1-CD1 4.42Å; E755-F759 WeakPolarHBondContact O-CD1 3.42Å; E755-F759 WeakPolarHBondContact O-CE1 3.35Å; D757-F759 VanDerWaalsContact C-N 3.28Å; D757-F759 PolarHBondContact O-N 3.06Å; F759-L761 HydrophobicContact CD2-CD2 4.42Å; F759-L761 HydrophobicContact CD2-CG 4.35Å; F759-L761 HydrophobicContact CE2-CD1 4.39Å; F759-L761 HydrophobicContact CE2-CD2 4.35Å; F759-L761 HydrophobicContact CE2-CG 4.11Å; F759-V766 HydrophobicContact CD2-CG2 4.47Å; F759-F767 CarbonylContact C-O 3.46Å; F759-F767 WeakPolarHBondContact CA-O 3.38Å; F759-F767 WeakPolarHBondContact CB-O 3.42Å; F759-F768 HydrophobicContact CB-CD1 3.73Å; F759-F768 HydrophobicContact CB-CE1 3.87Å
760	R	88.4	Confident	86.2	Confident	84 Å²	84	52 Å²	52	32%	0.317	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	144.1	172.1	-70.4	-72	179.1	-93.3	9.1	110.2	I516 F714 E756 F767	I516-R760 HydrophobicContact CD1-CB 4.4Å; I516-R760 HydrophobicContact CG2-CB 3.67Å; I516-R760 HydrophobicContact CG2-CG 3.69Å; F714-R760 HydrophobicContact CE1-CB 4.35Å; F714-R760 HydrophobicContact CE1-CG 3.78Å; F714-R760 HydrophobicContact CE2-CG 3.91Å; F714-R760 HydrophobicContact CZ-CB 4.26Å; F714-R760 HydrophobicContact CZ-CG 3.36Å; E756-R760 PolarHBondContact O-NH1 2.77Å; R760-F767 HydrophobicContact CB-CB 4.34Å; R760-F767 PolarHBondContact N-O 2.8Å; R760-F767 PolarHBondContact O-N 2.79Å
761	L	89.3	Confident	85.7	Confident	36 Å²	36	52 Å²	52	19%	0.188	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	107	176.3	-62.3	169.7	0	0	0	108	Y720 E747 F759 V766	Y720-L761 HydrophobicContact CE1-CD2 3.83Å; E747-L761 HydrophobicContact CB-CD1 3.7Å; E747-L761 HydrophobicContact CG-CD1 3.66Å; F759-L761 HydrophobicContact CD2-CD2 4.42Å; F759-L761 HydrophobicContact CD2-CG 4.35Å; F759-L761 HydrophobicContact CE2-CD1 4.39Å; F759-L761 HydrophobicContact CE2-CD2 4.35Å; F759-L761 HydrophobicContact CE2-CG 4.11Å; L761-V766 HydrophobicContact CD2-CB 4.27Å; L761-V766 HydrophobicContact CD2-CG2 3.94Å
762	G	88	Confident	85.5	Confident	2 Å²	2	45.9 Å²	45.9	2%	0.021	23%	0.232	C	C	.	.			trans	-74.3	-162.8	174.1	0	0	0	0	0	112.7	E514 Y720 R743 Q765	E514-G762 CarbonylContact O-C 3.54Å; E514-G762 WeakPolarHBondContact O-CA 3.31Å; Y720-G762 PolarHBondContact OH-N 3.43Å; Y720-G762 PolarHBondContact OH-O 3.24Å; R743-G762 VanDerWaalsContact CZ-O 3.29Å; R743-G762 PolarHBondContact NH1-O 3.26Å; R743-G762 PolarHBondContact NH2-O 3.38Å; R743-G762 VanDerWaalsContact NH2-O 3.16Å; G762-Q765 WeakPolarHBondContact CA-O 3.25Å; G762-Q765 PolarHBondContact N-O 3.18Å
763	Q	87.2	Confident	85.3	Confident	116 Å²	116	43.6 Å²	43.6	54%	0.542	22%	0.215	S	C	.	.	S	Bend	trans	-79.5	-42.7	172.4	-66	-157	27.6	0	0	111.1	E514 S515	E514-Q763 PolarHBondContact O-N 2.96Å; E514-Q763 PolarHBondContact OE2-N 2.88Å; S515-Q763 PolarHBondContact OG-NE2 3.3Å
764	T	84.6	Confident	85	Confident	76 Å²	76	40 Å²	40	47%	0.466	20%	0.198	S	C	.	.	S	Bend	trans	-112.3	-24.4	-172.5	75.5	0	0	0	0	113.8	E514 Y720	E514-T764 PolarHBondContact OE1-OG1 3Å; E514-T764 PolarHBondContact OE2-N 2.88Å; E514-T764 PolarHBondContact OE2-OG1 2.89Å; Y720-T764 VanDerWaalsContact CD2-O 3.26Å; Y720-T764 WeakPolarHBondContact CD2-O 3.38Å; Y720-T764 VanDerWaalsContact CE2-C 3.49Å
765	Q	90.2	Very high	84.7	Confident	46 Å²	46	41.2 Å²	41.2	22%	0.215	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	158.9	-172.5	-64.2	-178.2	20	0	0	112.4	W718 K719 Y720 G762 F767	W718-Q765 CarbonylContact O-C 3.55Å; W718-Q765 VanDerWaalsContact O-CA 3.28Å; W718-Q765 WeakPolarHBondContact O-CA 3.44Å; W718-Q765 WeakPolarHBondContact O-CB 3.41Å; K719-Q765 HydrophobicContact CG-CG 4.21Å; Y720-Q765 PolarHBondContact OH-O 2.86Å; G762-Q765 WeakPolarHBondContact CA-O 3.25Å; G762-Q765 PolarHBondContact N-O 3.18Å; Q765-F767 HydrophobicContact CB-CD2 4.45Å; Q765-F767 HydrophobicContact CB-CE2 3.79Å; Q765-F767 HydrophobicContact CB-CZ 4.25Å; Q765-F767 WeakPolarHBondContact O-CD2 3.09Å
766	V	90.6	Very high	84.8	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	138.7	166.8	59.5	0	0	0	0	109.8	R717 W718 Y720 F723 F759 L761 F768	R717-V766 WeakPolarHBondContact CA-O 3.38Å; W718-V766 HydrophobicContact CB-CG1 3.9Å; W718-V766 PolarHBondContact N-O 2.99Å; W718-V766 WeakPolarHBondContact O-CG1 3.47Å; W718-V766 PolarHBondContact O-N 3.47Å; Y720-V766 HydrophobicContact CD1-CB 4.31Å; Y720-V766 HydrophobicContact CE1-CB 3.86Å; F723-V766 HydrophobicContact CB-CG1 4.25Å; F723-V766 HydrophobicContact CD2-CG1 4.03Å; F723-V766 HydrophobicContact CG-CG1 4.07Å; F759-V766 HydrophobicContact CD2-CG2 4.47Å; L761-V766 HydrophobicContact CD2-CB 4.27Å; L761-V766 HydrophobicContact CD2-CG2 3.94Å; V766-F768 HydrophobicContact CB-CE2 4.27Å; V766-F768 HydrophobicContact CB-CZ 4.3Å; V766-F768 HydrophobicContact CG1-CE2 3.56Å; V766-F768 HydrophobicContact CG1-CZ 3.83Å; V766-F768 HydrophobicContact CG2-CE1 4Å; V766-F768 HydrophobicContact CG2-CE2 3.81Å; V766-F768 HydrophobicContact CG2-CZ 3.48Å; V766-F768 VanDerWaalsContact CG2-CZ 3.48Å
767	F	88.8	Confident	85	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.6	-173	-73.4	-97.3	0	0	0	109.4	Y511 E514 I516 F714 R717 F759 R760 Q765	Y511-F767 HydrophobicContact CE1-CD1 4.27Å; Y511-F767 HydrophobicContact CE1-CE1 4.38Å; E514-F767 HydrophobicContact CB-CE2 4.16Å; E514-F767 HydrophobicContact CB-CZ 4.27Å; E514-F767 HydrophobicContact CG-CE2 3.95Å; E514-F767 HydrophobicContact CG-CZ 3.76Å; I516-F767 HydrophobicContact CD1-CB 4.23Å; I516-F767 HydrophobicContact CD1-CD1 4.17Å; I516-F767 HydrophobicContact CD1-CD2 3.2Å; I516-F767 HydrophobicContact CD1-CE1 4.37Å; I516-F767 HydrophobicContact CD1-CE2 3.47Å; I516-F767 VanDerWaalsContact CD1-CE2 3.47Å; I516-F767 HydrophobicContact CD1-CG 3.6Å; I516-F767 HydrophobicContact CD1-CZ 4.07Å; F714-F767 HydrophobicContact CB-CB 3.72Å; F714-F767 HydrophobicContact CB-CD1 4.04Å; F714-F767 HydrophobicContact CB-CG 4.37Å; F714-F767 HydrophobicContact CD1-CB 4.24Å; F714-F767 HydrophobicContact CG-CB 3.98Å; R717-F767 HydrophobicContact CB-CE1 4.4Å; R717-F767 HydrophobicContact CG-CD1 3.77Å; R717-F767 HydrophobicContact CG-CE1 3.69Å; F759-F767 CarbonylContact C-O 3.46Å; F759-F767 WeakPolarHBondContact CA-O 3.38Å; F759-F767 WeakPolarHBondContact CB-O 3.42Å; R760-F767 HydrophobicContact CB-CB 4.34Å; R760-F767 PolarHBondContact N-O 2.8Å; R760-F767 PolarHBondContact O-N 2.79Å; Q765-F767 HydrophobicContact CB-CD2 4.45Å; Q765-F767 HydrophobicContact CB-CE2 3.79Å; Q765-F767 HydrophobicContact CB-CZ 4.25Å; Q765-F767 WeakPolarHBondContact O-CD2 3.09Å
768	F	87.8	Confident	84.9	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.3	-176.2	-65.1	-74.2	0	0	0	111.6	F714 P715 S716 F723 C750 L754 F759 V766 Q772 V773 L776	F714-F768 CarbonylContact C-O 3.56Å; F714-F768 VanDerWaalsContact CA-O 3.29Å; F714-F768 WeakPolarHBondContact CA-O 3.15Å; P715-F768 WeakPolarHBondContact CD-O 3.11Å; S716-F768 PolarHBondContact O-N 3.12Å; F723-F768 AromaticContact CD2-CE2 3.8Å; F723-F768 HydrophobicContact CD2-CE2 3.8Å; F723-F768 AromaticContact CD2-CZ 3.87Å; F723-F768 HydrophobicContact CD2-CZ 3.87Å; F723-F768 HydrophobicContact CE2-CE1 4.28Å; F723-F768 AromaticContact CE2-CE2 3.52Å; F723-F768 HydrophobicContact CE2-CE2 3.52Å; F723-F768 AromaticContact CE2-CZ 3.21Å; F723-F768 HydrophobicContact CE2-CZ 3.21Å; F723-F768 HydrophobicContact CZ-CE1 4.49Å; F723-F768 HydrophobicContact CZ-CE2 4.4Å; F723-F768 AromaticContact CZ-CZ 3.66Å; F723-F768 HydrophobicContact CZ-CZ 3.66Å; C750-F768 VanDerWaalsContact SG-CE1 3.6Å; L754-F768 HydrophobicContact CD1-CD1 3.93Å; L754-F768 HydrophobicContact CD1-CE1 3.7Å; F759-F768 HydrophobicContact CB-CD1 3.73Å; F759-F768 HydrophobicContact CB-CE1 3.87Å; V766-F768 HydrophobicContact CB-CE2 4.27Å; V766-F768 HydrophobicContact CB-CZ 4.3Å; V766-F768 HydrophobicContact CG1-CE2 3.56Å; V766-F768 HydrophobicContact CG1-CZ 3.83Å; V766-F768 HydrophobicContact CG2-CE1 4Å; V766-F768 HydrophobicContact CG2-CE2 3.81Å; V766-F768 HydrophobicContact CG2-CZ 3.48Å; V766-F768 VanDerWaalsContact CG2-CZ 3.48Å; F768-Q772 HydrophobicContact CB-CB 4.17Å; F768-Q772 HydrophobicContact CD1-CB 4.18Å; F768-V773 HydrophobicContact CB-CG2 4.38Å; F768-V773 HydrophobicContact CD2-CG2 4.16Å; F768-V773 HydrophobicContact CG-CG2 4.37Å; F768-L776 HydrophobicContact CE1-CD1 4.05Å; F768-L776 HydrophobicContact CZ-CD1 4.11Å
769	R	84.9	Confident	85	Confident	62 Å²	62	31.2 Å²	31.2	23%	0.234	17%	0.166	C	C	.	.			trans	-63.2	162.8	165	-66.7	-61.2	-166.5	172.4	5.2	110.3	A712 G713 F714 D757 A758 Q772	A712-R769 PolarHBondContact O-NH1 2.87Å; G713-R769 VanDerWaalsContact O-CD 3.28Å; G713-R769 WeakPolarHBondContact O-CD 3.49Å; G713-R769 PolarHBondContact O-NH1 3.31Å; F714-R769 HydrophobicContact CD1-CG 4.09Å; F714-R769 HydrophobicContact CE1-CG 3.85Å; D757-R769 WeakPolarHBondContact O-CG 3.5Å; A758-R769 WeakPolarHBondContact O-CG 2.87Å; A758-R769 PolarHBondContact O-N 3.21Å; R769-Q772 HydrophobicContact CB-CG 4.03Å; R769-Q772 VanDerWaalsContact O-CG 3.3Å; R769-Q772 WeakPolarHBondContact O-CG 3.46Å; R769-Q772 PolarHBondContact O-N 3.21Å
770	S	80	Confident	84.9	Confident	38 Å²	38	32.6 Å²	32.6	27%	0.266	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	144	174.4	-175.4	0	0	0	0	111.3	S99 Q772	S99-S770 PolarHBondContact O-OG 2.89Å; S770-Q772 VanDerWaalsContact C-N 3.29Å; S770-Q772 PolarHBondContact O-N 3.45Å; S770-Q772 PolarHBondContact O-NE2 3.34Å
771	G	78.6	Confident	84.7	Confident	2 Å²	2	32.2 Å²	32.2	2%	0.021	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	-21.5	178.7	0	0	0	0	0	115.7	S99 Y100 V773 A774 L775	S99-G771 PolarHBondContact O-N 2.86Å; S99-G771 VanDerWaalsContact OG-C 3.3Å; S99-G771 VanDerWaalsContact OG-CA 3.29Å; S99-G771 WeakPolarHBondContact OG-CA 3.35Å; S99-G771 PolarHBondContact OG-O 3.4Å; Y100-G771 VanDerWaalsContact CE1-CA 3.41Å; G771-V773 PolarHBondContact O-N 2.96Å; G771-A774 PolarHBondContact O-N 2.97Å; G771-L775 PolarHBondContact O-N 2.8Å
772	Q	84	Confident	84.5	Confident	21 Å²	21	36.5 Å²	36.5	10%	0.098	19%	0.192	C	C	.	.	H	α-helix	trans	-70.7	-32.4	-170.8	-53	-53.7	-47.8	0	0	113.3	L754 A758 F768 R769 S770 L775 L776	L754-Q772 HydrophobicContact CD1-CB 4.36Å; L754-Q772 HydrophobicContact CD2-CB 4.5Å; A758-Q772 HydrophobicContact CB-CG 4Å; F768-Q772 HydrophobicContact CB-CB 4.17Å; F768-Q772 HydrophobicContact CD1-CB 4.18Å; R769-Q772 HydrophobicContact CB-CG 4.03Å; R769-Q772 VanDerWaalsContact O-CG 3.3Å; R769-Q772 WeakPolarHBondContact O-CG 3.46Å; R769-Q772 PolarHBondContact O-N 3.21Å; S770-Q772 VanDerWaalsContact C-N 3.29Å; S770-Q772 PolarHBondContact O-N 3.45Å; S770-Q772 PolarHBondContact O-NE2 3.34Å; Q772-L775 WeakPolarHBondContact O-CB 3.44Å; Q772-L775 PolarHBondContact O-N 3.21Å; Q772-L776 WeakPolarHBondContact O-CG 3.2Å; Q772-L776 PolarHBondContact O-N 3.47Å
773	V	81.8	Confident	84.5	Confident	9 Å²	9	41.4 Å²	41.4	6%	0.055	21%	0.209	C	C	.	.	H	α-helix	trans	-68	-37.8	176.4	178	0	0	0	0	110.8	S716 F768 G771 L775 L776 E777	S716-V773 VanDerWaalsContact CB-CG2 3.5Å; S716-V773 WeakPolarHBondContact OG-CG2 3.26Å; F768-V773 HydrophobicContact CB-CG2 4.38Å; F768-V773 HydrophobicContact CD2-CG2 4.16Å; F768-V773 HydrophobicContact CG-CG2 4.37Å; G771-V773 PolarHBondContact O-N 2.96Å; V773-L775 VanDerWaalsContact C-N 3.34Å; V773-L776 PolarHBondContact O-N 2.89Å; V773-E777 WeakPolarHBondContact O-CB 3.14Å; V773-E777 PolarHBondContact O-N 3.4Å
774	A	76.8	Confident	84.5	Confident	10 Å²	10	39.3 Å²	39.3	8%	0.083	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-40.4	174.3	0	0	0	0	0	111.7	S99 Y100 G771 E777 S778	S99-A774 WeakPolarHBondContact OG-CB 3.48Å; S99-A774 PolarHBondContact OG-N 2.7Å; Y100-A774 HydrophobicContact CD2-CB 4.31Å; Y100-A774 HydrophobicContact CE2-CB 3.58Å; G771-A774 PolarHBondContact O-N 2.97Å; A774-E777 PolarHBondContact O-N 3.47Å; A774-S778 VanDerWaalsContact O-CB 3.32Å; A774-S778 WeakPolarHBondContact O-CB 3.02Å; A774-S778 PolarHBondContact O-N 3.16Å
775	L	80.7	Confident	84.7	Confident	43 Å²	43	41.6 Å²	41.6	23%	0.225	21%	0.205	C	C	.	.	H	α-helix	trans	-59.6	-47.5	172.6	-80.4	174	0	0	0	112.1	N28 G771 Q772 V773 E777 S778 A779	N28-L775 WeakPolarHBondContact OD1-CD1 3.43Å; N28-L775 WeakPolarHBondContact OD1-CD2 3.16Å; N28-L775 WeakPolarHBondContact OD1-CG 3.32Å; G771-L775 PolarHBondContact O-N 2.8Å; Q772-L775 WeakPolarHBondContact O-CB 3.44Å; Q772-L775 PolarHBondContact O-N 3.21Å; V773-L775 VanDerWaalsContact C-N 3.34Å; L775-E777 PolarHBondContact O-N 3.24Å; L775-S778 PolarHBondContact O-N 2.99Å; L775-A779 WeakPolarHBondContact O-CB 3.3Å; L775-A779 PolarHBondContact O-N 2.78Å
776	L	84.9	Confident	84.7	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-40.7	177.9	-69.9	173.9	0	0	0	112.2	F723 Y727 L730 I749 L753 L754 F768 Q772 V773 R780	F723-L776 HydrophobicContact CE2-CD1 3.63Å; F723-L776 HydrophobicContact CZ-CD1 3.71Å; Y727-L776 HydrophobicContact CD1-CB 4.13Å; Y727-L776 HydrophobicContact CE1-CB 3.69Å; L730-L776 HydrophobicContact CD1-CD2 4.21Å; I749-L776 HydrophobicContact CG2-CD2 4.32Å; L753-L776 HydrophobicContact CB-CD2 4.37Å; L753-L776 HydrophobicContact CD1-CD2 3.86Å; L754-L776 HydrophobicContact CD1-CD1 4.22Å; L754-L776 HydrophobicContact CD1-CD2 4.34Å; L754-L776 HydrophobicContact CD1-CG 4.36Å; L754-L776 HydrophobicContact CD2-CD2 4.3Å; L754-L776 HydrophobicContact CD2-CG 4.39Å; L754-L776 HydrophobicContact CG-CD2 4.37Å; F768-L776 HydrophobicContact CE1-CD1 4.05Å; F768-L776 HydrophobicContact CZ-CD1 4.11Å; Q772-L776 WeakPolarHBondContact O-CG 3.2Å; Q772-L776 PolarHBondContact O-N 3.47Å; V773-L776 PolarHBondContact O-N 2.89Å; L776-R780 VanDerWaalsContact O-CB 3.28Å; L776-R780 WeakPolarHBondContact O-CB 3.38Å; L776-R780 PolarHBondContact O-N 2.74Å
777	E	84.3	Confident	84.6	Confident	13 Å²	13	45 Å²	45	6%	0.061	23%	0.229	C	C	.	.	H	α-helix	trans	-69.8	-39.3	177.9	-166.6	64.6	-142.8	0	0	111.4	R726 V773 A774 L775 R780 L781	R726-E777 IonicContact CZ-OE2 2.97Å; R726-E777 IonicContact NE-OE2 2.8Å; R726-E777 PolarHBondContact NE-OE2 2.86Å; R726-E777 VanDerWaalsContact NE-OE2 3.12Å; R726-E777 VanDerWaalsContact NH2-CD 3.34Å; R726-E777 IonicContact NH2-OE1 3.45Å; R726-E777 PolarHBondContact NH2-OE1 3.12Å; R726-E777 IonicContact NH2-OE2 3.14Å; R726-E777 PolarHBondContact NH2-OE2 3.35Å; V773-E777 WeakPolarHBondContact O-CB 3.14Å; V773-E777 PolarHBondContact O-N 3.4Å; A774-E777 PolarHBondContact O-N 3.47Å; L775-E777 PolarHBondContact O-N 3.24Å; E777-R780 WeakPolarHBondContact O-CB 3.22Å; E777-R780 PolarHBondContact O-N 3.44Å; E777-R780 IonicContact OE1-CZ 3.91Å; E777-R780 VanDerWaalsContact OE1-CZ 3.26Å; E777-R780 IonicContact OE1-NE 2.76Å; E777-R780 PolarHBondContact OE1-NE 3.29Å; E777-R780 IonicContact OE1-NH2 3.26Å; E777-R780 PolarHBondContact OE1-NH2 3.33Å; E777-R780 IonicContact OE2-NE 3.76Å; E777-R780 PolarHBondContact OE2-NE 3.26Å; E777-L781 HydrophobicContact CG-CD1 4.36Å; E777-L781 WeakPolarHBondContact O-CB 3.32Å; E777-L781 VanDerWaalsContact O-CG 3.31Å; E777-L781 WeakPolarHBondContact O-CG 3.45Å; E777-L781 PolarHBondContact O-N 2.68Å
778	S	80.2	Confident	84.8	Confident	53 Å²	53	47 Å²	47	37%	0.371	25%	0.245	S	C	.	.	H	α-helix	trans	-60.8	-47.9	173.5	-179.1	0	0	0	0	111.7	A774 L775 R780 L781 K782	A774-S778 VanDerWaalsContact O-CB 3.32Å; A774-S778 WeakPolarHBondContact O-CB 3.02Å; A774-S778 PolarHBondContact O-N 3.16Å; L775-S778 PolarHBondContact O-N 2.99Å; S778-R780 VanDerWaalsContact C-N 3.25Å; S778-R780 PolarHBondContact O-N 3.24Å; S778-L781 PolarHBondContact O-N 3.36Å; S778-K782 WeakPolarHBondContact O-CB 3.42Å; S778-K782 PolarHBondContact O-N 2.77Å
779	A	83.9	Confident	85.1	Confident	32 Å²	32	50.9 Å²	50.9	26%	0.264	27%	0.269	S	S	.	.	H	α-helix	trans	-60	-37.4	174.4	0	0	0	0	0	111.9	L730 L753 L775 R783	L730-A779 HydrophobicContact CD2-CB 4.11Å; L753-A779 HydrophobicContact CD1-CB 4.42Å; L775-A779 WeakPolarHBondContact O-CB 3.3Å; L775-A779 PolarHBondContact O-N 2.78Å; A779-R783 WeakPolarHBondContact O-CB 3.22Å; A779-R783 PolarHBondContact O-N 2.85Å
780	R	87.4	Confident	85.5	Confident	41 Å²	41	53.2 Å²	53.2	16%	0.155	29%	0.286	C	S	.	.	H	α-helix	trans	-67.3	-47.1	178.1	-164.6	-176.3	83.3	102.1	5.8	111.5	I729 L730 L776 E777 S778 R783 Q784	I729-R780 HydrophobicContact CG2-CG 3.62Å; L730-R780 HydrophobicContact CD2-CB 4.27Å; L776-R780 VanDerWaalsContact O-CB 3.28Å; L776-R780 WeakPolarHBondContact O-CB 3.38Å; L776-R780 PolarHBondContact O-N 2.74Å; E777-R780 WeakPolarHBondContact O-CB 3.22Å; E777-R780 PolarHBondContact O-N 3.44Å; E777-R780 IonicContact OE1-CZ 3.91Å; E777-R780 VanDerWaalsContact OE1-CZ 3.26Å; E777-R780 IonicContact OE1-NE 2.76Å; E777-R780 PolarHBondContact OE1-NE 3.29Å; E777-R780 IonicContact OE1-NH2 3.26Å; E777-R780 PolarHBondContact OE1-NH2 3.33Å; E777-R780 IonicContact OE2-NE 3.76Å; E777-R780 PolarHBondContact OE2-NE 3.26Å; S778-R780 VanDerWaalsContact C-N 3.25Å; S778-R780 PolarHBondContact O-N 3.24Å; R780-R783 WeakPolarHBondContact O-CB 3.46Å; R780-R783 PolarHBondContact O-N 3.49Å; R780-Q784 WeakPolarHBondContact O-CG 3.19Å; R780-Q784 PolarHBondContact O-N 3.07Å
781	L	84.2	Confident	86.1	Confident	76 Å²	76	57 Å²	57	40%	0.398	30%	0.302	S	S	.	.	H	α-helix	trans	-60.7	-49.5	177.8	-73.1	171.1	0	0	0	110.7	E777 S778 R783 Q784 E785	E777-L781 HydrophobicContact CG-CD1 4.36Å; E777-L781 WeakPolarHBondContact O-CB 3.32Å; E777-L781 VanDerWaalsContact O-CG 3.31Å; E777-L781 WeakPolarHBondContact O-CG 3.45Å; E777-L781 PolarHBondContact O-N 2.68Å; S778-L781 PolarHBondContact O-N 3.36Å; L781-R783 VanDerWaalsContact C-N 3.28Å; L781-R783 PolarHBondContact O-N 2.82Å; L781-Q784 CarbonylContact O-C 3.49Å; L781-Q784 WeakPolarHBondContact O-CA 3.11Å; L781-Q784 WeakPolarHBondContact O-CB 3.43Å; L781-Q784 PolarHBondContact O-N 3.28Å; L781-E785 WeakPolarHBondContact O-CG 3.47Å; L781-E785 PolarHBondContact O-N 3.04Å
782	K	85.3	Confident	86.9	Confident	125 Å²	125	61.4 Å²	61.4	54%	0.543	32%	0.322	S	S	.	.	H	α-helix	trans	-55.8	-43.3	175.3	-172.3	171.8	-173.1	168.8	0	112.1	S778 Q784 E785 D786	S778-K782 WeakPolarHBondContact O-CB 3.42Å; S778-K782 PolarHBondContact O-N 2.77Å; K782-Q784 VanDerWaalsContact C-N 3.32Å; K782-Q784 PolarHBondContact O-N 3.46Å; K782-E785 PolarHBondContact O-N 3.19Å; K782-D786 PolarHBondContact O-N 2.79Å
783	R	87.5	Confident	87.4	Confident	105 Å²	105	67.9 Å²	67.9	40%	0.396	35%	0.35	S	S	.	.	H	α-helix	trans	-63.7	-37.2	176.8	-168.2	74.8	-177.8	105	-1.5	112.5	I729 L730 A779 R780 L781 A787	I729-R783 HydrophobicContact CD1-CG 4.37Å; I729-R783 HydrophobicContact CG1-CG 4.02Å; L730-R783 HydrophobicContact CD2-CB 4.4Å; A779-R783 WeakPolarHBondContact O-CB 3.22Å; A779-R783 PolarHBondContact O-N 2.85Å; R780-R783 WeakPolarHBondContact O-CB 3.46Å; R780-R783 PolarHBondContact O-N 3.49Å; L781-R783 VanDerWaalsContact C-N 3.28Å; L781-R783 PolarHBondContact O-N 2.82Å; R783-A787 WeakPolarHBondContact O-CB 3.24Å; R783-A787 PolarHBondContact O-N 2.8Å; R783-A787 VanDerWaalsContact O-N 3.07Å
784	Q	88.5	Confident	88.1	Confident	72 Å²	72	71.7 Å²	71.7	34%	0.336	37%	0.373	S	S	.	.	H	α-helix	trans	-70.7	-40.2	176.2	-73.7	178	-28.9	0	0	111.7	I729 R780 L781 K782 A787 A788	I729-Q784 HydrophobicContact CD1-CG 3.85Å; R780-Q784 WeakPolarHBondContact O-CG 3.19Å; R780-Q784 PolarHBondContact O-N 3.07Å; L781-Q784 CarbonylContact O-C 3.49Å; L781-Q784 WeakPolarHBondContact O-CA 3.11Å; L781-Q784 WeakPolarHBondContact O-CB 3.43Å; L781-Q784 PolarHBondContact O-N 3.28Å; K782-Q784 VanDerWaalsContact C-N 3.32Å; K782-Q784 PolarHBondContact O-N 3.46Å; Q784-A787 PolarHBondContact O-N 3.11Å; Q784-A788 VanDerWaalsContact O-CB 3.32Å; Q784-A788 WeakPolarHBondContact O-CB 3.49Å; Q784-A788 PolarHBondContact O-N 2.96Å
785	E	88.6	Confident	88.9	Confident	125 Å²	125	76 Å²	76	58%	0.584	39%	0.39	S	S	*	.	H	α-helix	trans	-63.4	-44	174.4	-71.4	176.4	169.5	0	0	111.6	L781 K782 A787 A788 T789	L781-E785 WeakPolarHBondContact O-CG 3.47Å; L781-E785 PolarHBondContact O-N 3.04Å; K782-E785 PolarHBondContact O-N 3.19Å; E785-A787 VanDerWaalsContact C-N 3.31Å; E785-A787 PolarHBondContact O-N 3.15Å; E785-A788 PolarHBondContact O-N 2.81Å; E785-T789 VanDerWaalsContact O-CB 3.3Å; E785-T789 WeakPolarHBondContact O-CB 3.41Å; E785-T789 PolarHBondContact O-N 2.85Å; E785-T789 PolarHBondContact O-OG1 2.85Å
786	D	89.7	Confident	89.5	Confident	87 Å²	87	82 Å²	82	47%	0.465	41%	0.41	S	S	.	.	H	α-helix	trans	-60.7	-42.7	174.2	-74.9	-22.7	0	0	0	111.4	K782 T789 L790	K782-D786 PolarHBondContact O-N 2.79Å; D786-T789 PolarHBondContact O-N 3.48Å; D786-L790 VanDerWaalsContact O-CB 3.31Å; D786-L790 WeakPolarHBondContact O-CB 3.4Å; D786-L790 PolarHBondContact O-N 3.21Å
787	A	89.5	Confident	90	Very high	30 Å²	30	83.9 Å²	83.9	25%	0.248	43%	0.429	C	S	.	.	H	α-helix	trans	-66.4	-44.3	177.9	0	0	0	0	0	111.6	R783 Q784 E785 L790 I791	R783-A787 WeakPolarHBondContact O-CB 3.24Å; R783-A787 PolarHBondContact O-N 2.8Å; R783-A787 VanDerWaalsContact O-N 3.07Å; Q784-A787 PolarHBondContact O-N 3.11Å; E785-A787 VanDerWaalsContact C-N 3.31Å; E785-A787 PolarHBondContact O-N 3.15Å; A787-L790 PolarHBondContact O-N 3.36Å; A787-I791 VanDerWaalsContact O-CG1 3.26Å; A787-I791 WeakPolarHBondContact O-CG1 3.34Å; A787-I791 PolarHBondContact O-N 3.08Å
788	A	92.4	Very high	90.4	Very high	42 Å²	42	89.8 Å²	89.8	35%	0.347	45%	0.452	S	S	.	.	H	α-helix	trans	-59.8	-47.1	174.6	0	0	0	0	0	110.6	Q784 E785 L790 I791 Q792	Q784-A788 VanDerWaalsContact O-CB 3.32Å; Q784-A788 WeakPolarHBondContact O-CB 3.49Å; Q784-A788 PolarHBondContact O-N 2.96Å; E785-A788 PolarHBondContact O-N 2.81Å; A788-L790 PolarHBondContact O-N 3.39Å; A788-I791 PolarHBondContact O-N 3.37Å; A788-Q792 WeakPolarHBondContact O-CB 3.27Å; A788-Q792 WeakPolarHBondContact O-CG 3.45Å; A788-Q792 PolarHBondContact O-N 2.91Å
789	T	93.5	Very high	91	Very high	81 Å²	81	88.9 Å²	88.9	50%	0.497	44%	0.444	S	S	.	.	H	α-helix	trans	-60.3	-42.7	176.3	-61.4	0	0	0	0	111.9	E785 D786 Q792 K793	E785-T789 VanDerWaalsContact O-CB 3.3Å; E785-T789 WeakPolarHBondContact O-CB 3.41Å; E785-T789 PolarHBondContact O-N 2.85Å; E785-T789 PolarHBondContact O-OG1 2.85Å; D786-T789 PolarHBondContact O-N 3.48Å; T789-Q792 PolarHBondContact O-N 3.1Å; T789-K793 VanDerWaalsContact O-CB 3.25Å; T789-K793 WeakPolarHBondContact O-CB 3.36Å; T789-K793 PolarHBondContact O-N 3.46Å
790	L	93.2	Very high	91.5	Very high	111 Å²	111	90.1 Å²	90.1	58%	0.581	45%	0.454	S	S	*	.	H	α-helix	trans	-62.6	-45.6	176.3	177.8	63.3	0	0	0	111.6	D786 A787 A788 T794	D786-L790 VanDerWaalsContact O-CB 3.31Å; D786-L790 WeakPolarHBondContact O-CB 3.4Å; D786-L790 PolarHBondContact O-N 3.21Å; A787-L790 PolarHBondContact O-N 3.36Å; A788-L790 PolarHBondContact O-N 3.39Å; L790-T794 VanDerWaalsContact O-CB 3.3Å; L790-T794 WeakPolarHBondContact O-CB 3.31Å; L790-T794 PolarHBondContact O-N 3.31Å; L790-T794 PolarHBondContact O-OG1 3.42Å
791	I	93.1	Very high	91.8	Very high	119 Å²	119	96.5 Å²	96.5	61%	0.61	48%	0.478	S	S	*	.	H	α-helix	trans	-61.1	-49.8	176.4	-69	165.4	0	0	0	109.5	A787 A788 K793 T794 F795	A787-I791 VanDerWaalsContact O-CG1 3.26Å; A787-I791 WeakPolarHBondContact O-CG1 3.34Å; A787-I791 PolarHBondContact O-N 3.08Å; A788-I791 PolarHBondContact O-N 3.37Å; I791-K793 PolarHBondContact O-N 2.98Å; I791-T794 PolarHBondContact O-N 3.44Å; I791-F795 VanDerWaalsContact O-CB 3.29Å; I791-F795 WeakPolarHBondContact O-CB 3.46Å; I791-F795 PolarHBondContact O-N 3.42Å
792	Q	95.8	Very high	92.2	Very high	94 Å²	94	97.2 Å²	97.2	44%	0.439	48%	0.478	S	S	.	.	H	α-helix	trans	-60.5	-46.3	179.5	-73.3	172.4	-5.1	0	0	112.1	A788 T789 F795 R796	A788-Q792 WeakPolarHBondContact O-CB 3.27Å; A788-Q792 WeakPolarHBondContact O-CG 3.45Å; A788-Q792 PolarHBondContact O-N 2.91Å; T789-Q792 PolarHBondContact O-N 3.1Å; Q792-F795 PolarHBondContact O-N 3.29Å; Q792-R796 VanDerWaalsContact O-CB 3.3Å; Q792-R796 WeakPolarHBondContact O-CB 3.43Å; Q792-R796 WeakPolarHBondContact O-CG 3.35Å; Q792-R796 PolarHBondContact O-N 3.5Å
793	K	94.7	Very high	92.5	Very high	157 Å²	157	99.9 Å²	99.9	68%	0.683	49%	0.485	S	S	*	.	H	α-helix	trans	-61.5	-46.2	176.8	176	-178.9	175.7	179.4	0	111.4	T789 I791 R796 G797	T789-K793 VanDerWaalsContact O-CB 3.25Å; T789-K793 WeakPolarHBondContact O-CB 3.36Å; T789-K793 PolarHBondContact O-N 3.46Å; I791-K793 PolarHBondContact O-N 2.98Å; K793-R796 PolarHBondContact O-N 3.36Å; K793-G797 PolarHBondContact O-N 2.9Å
794	T	95	Very high	92.8	Very high	88 Å²	88	101 Å²	101	54%	0.54	49%	0.493	S	S	.	.	H	α-helix	trans	-64	-43.9	-179.8	-55.3	0	0	0	0	110.7	L790 I791 G797 Y798	L790-T794 VanDerWaalsContact O-CB 3.3Å; L790-T794 WeakPolarHBondContact O-CB 3.31Å; L790-T794 PolarHBondContact O-N 3.31Å; L790-T794 PolarHBondContact O-OG1 3.42Å; I791-T794 PolarHBondContact O-N 3.44Å; T794-G797 PolarHBondContact O-N 2.94Å; T794-Y798 WeakPolarHBondContact O-CB 2.98Å; T794-Y798 PolarHBondContact O-N 2.89Å
795	F	93.7	Very high	93.1	Very high	100 Å²	100	100.6 Å²	100.6	44%	0.439	49%	0.493	S	S	.	.	H	α-helix	trans	-65.7	-46.1	177.2	-176	-103.4	0	0	0	112.3	I791 Q792 G797 Y798 V799 K1232	I791-F795 VanDerWaalsContact O-CB 3.29Å; I791-F795 WeakPolarHBondContact O-CB 3.46Å; I791-F795 PolarHBondContact O-N 3.42Å; Q792-F795 PolarHBondContact O-N 3.29Å; F795-G797 VanDerWaalsContact C-N 3.3Å; F795-G797 PolarHBondContact O-N 2.75Å; F795-Y798 WeakPolarHBondContact O-CB 3.33Å; F795-Y798 PolarHBondContact O-N 3.34Å; F795-V799 HydrophobicContact CD1-CG2 4.23Å; F795-V799 HydrophobicContact CE1-CG2 3.87Å; F795-V799 HydrophobicContact CE2-CG2 4.34Å; F795-V799 HydrophobicContact CZ-CG2 3.93Å; F795-V799 WeakPolarHBondContact O-CG2 3.34Å; F795-V799 PolarHBondContact O-N 3.14Å; F795-K1232 HydrophobicContact CZ-CG 4.35Å
796	R	94.8	Very high	93.3	Very high	171 Å²	171	101.9 Å²	101.9	65%	0.645	50%	0.496	S	S	*	.	H	α-helix	trans	-57.6	-43.9	173.9	-74.8	172.2	178.9	163.8	1.3	111.3	Q792 K793 V799 A800	Q792-R796 VanDerWaalsContact O-CB 3.3Å; Q792-R796 WeakPolarHBondContact O-CB 3.43Å; Q792-R796 WeakPolarHBondContact O-CG 3.35Å; Q792-R796 PolarHBondContact O-N 3.5Å; K793-R796 PolarHBondContact O-N 3.36Å; R796-V799 PolarHBondContact O-N 3.25Å; R796-A800 WeakPolarHBondContact O-CB 3.24Å; R796-A800 PolarHBondContact O-N 3.32Å
797	G	94.6	Very high	93.3	Very high	40 Å²	40	103.6 Å²	103.6	41%	0.412	50%	0.503	S	S	.	.	H	α-helix	trans	-62.4	-44.1	175.4	0	0	0	0	0	113	K793 T794 F795 A800 R801	K793-G797 PolarHBondContact O-N 2.9Å; T794-G797 PolarHBondContact O-N 2.94Å; F795-G797 VanDerWaalsContact C-N 3.3Å; F795-G797 PolarHBondContact O-N 2.75Å; G797-A800 PolarHBondContact O-N 2.87Å; G797-R801 WeakPolarHBondContact O-CB 3.45Å; G797-R801 PolarHBondContact O-N 3Å
798	Y	93.7	Very high	93.6	Very high	136 Å²	136	109.1 Å²	109.1	53%	0.533	52%	0.517	S	S	.	.	H	α-helix	trans	-59.5	-47.8	174.3	169.2	-105.3	0	0	0	111.9	T794 F795 A800 R801 K802	T794-Y798 WeakPolarHBondContact O-CB 2.98Å; T794-Y798 PolarHBondContact O-N 2.89Å; F795-Y798 WeakPolarHBondContact O-CB 3.33Å; F795-Y798 PolarHBondContact O-N 3.34Å; Y798-A800 PolarHBondContact O-N 2.94Å; Y798-R801 PolarHBondContact O-N 3.36Å; Y798-K802 WeakPolarHBondContact O-CB 3.06Å; Y798-K802 PolarHBondContact O-N 2.94Å
799	V	93	Very high	93.5	Very high	34 Å²	34	115.8 Å²	115.8	21%	0.206	53%	0.534	C	S	.	.	H	α-helix	trans	-61.1	-45.3	177.6	171.9	0	0	0	0	111.1	F795 R796 K802 R803	F795-V799 HydrophobicContact CD1-CG2 4.23Å; F795-V799 HydrophobicContact CE1-CG2 3.87Å; F795-V799 HydrophobicContact CE2-CG2 4.34Å; F795-V799 HydrophobicContact CZ-CG2 3.93Å; F795-V799 WeakPolarHBondContact O-CG2 3.34Å; F795-V799 PolarHBondContact O-N 3.14Å; R796-V799 PolarHBondContact O-N 3.25Å; V799-K802 PolarHBondContact O-N 3.04Å; V799-R803 WeakPolarHBondContact O-CG 3.07Å; V799-R803 PolarHBondContact O-N 2.87Å
800	A	93.1	Very high	93.2	Very high	58 Å²	58	114.7 Å²	114.7	48%	0.479	53%	0.53	S	S	.	.	H	α-helix	trans	-62.1	-45	176.9	0	0	0	0	0	111.9	R796 G797 Y798 K802 R803 F804	R796-A800 WeakPolarHBondContact O-CB 3.24Å; R796-A800 PolarHBondContact O-N 3.32Å; G797-A800 PolarHBondContact O-N 2.87Å; Y798-A800 PolarHBondContact O-N 2.94Å; A800-K802 PolarHBondContact O-N 2.92Å; A800-R803 PolarHBondContact O-N 3.22Å; A800-F804 WeakPolarHBondContact O-CB 3.28Å; A800-F804 PolarHBondContact O-N 2.97Å
801	R	94.6	Very high	93	Very high	175 Å²	175	112.4 Å²	112.4	66%	0.66	52%	0.52	S	S	*	.	H	α-helix	trans	-61.6	-43	176.3	-173.4	177.1	-178	-162.7	0.8	111.7	G797 Y798 R803 F804 L805	G797-R801 WeakPolarHBondContact O-CB 3.45Å; G797-R801 PolarHBondContact O-N 3Å; Y798-R801 PolarHBondContact O-N 3.36Å; R801-R803 PolarHBondContact O-N 3.25Å; R801-F804 PolarHBondContact O-N 3.43Å; R801-L805 HydrophobicContact CG-CD1 4.03Å; R801-L805 HydrophobicContact CG-CG 4.33Å; R801-L805 WeakPolarHBondContact O-CB 3.45Å; R801-L805 VanDerWaalsContact O-CG 3.27Å; R801-L805 WeakPolarHBondContact O-CG 3.44Å; R801-L805 PolarHBondContact O-N 2.8Å
802	K	92.4	Very high	92.9	Very high	92 Å²	92	109.9 Å²	109.9	40%	0.4	51%	0.507	S	S	.	.	H	α-helix	trans	-60.1	-44.7	176.5	-168.7	179	-176.2	-179.8	0	111.3	Y798 V799 A800 L805 K806 D1228	Y798-K802 WeakPolarHBondContact O-CB 3.06Å; Y798-K802 PolarHBondContact O-N 2.94Å; V799-K802 PolarHBondContact O-N 3.04Å; A800-K802 PolarHBondContact O-N 2.92Å; K802-L805 PolarHBondContact O-N 3.27Å; K802-K806 WeakPolarHBondContact O-CB 3.32Å; K802-K806 PolarHBondContact O-N 3.46Å; K802-D1228 IonicContact NZ-OD1 2.92Å; K802-D1228 PolarHBondContact NZ-OD1 2.85Å
803	R	92	Very high	92.5	Very high	180 Å²	180	108.7 Å²	108.7	68%	0.679	51%	0.506	S	S	*	.	H	α-helix	trans	-62.1	-46.8	175.2	-72.1	176.5	178.1	179.3	-2	112.1	V799 A800 R801 L805 K806 M807	V799-R803 WeakPolarHBondContact O-CG 3.07Å; V799-R803 PolarHBondContact O-N 2.87Å; A800-R803 PolarHBondContact O-N 3.22Å; R801-R803 PolarHBondContact O-N 3.25Å; R803-L805 PolarHBondContact O-N 2.93Å; R803-K806 PolarHBondContact O-N 3.05Å; R803-M807 PolarHBondContact O-N 2.94Å
804	F	92.9	Very high	91.9	Very high	130 Å²	130	107 Å²	107	57%	0.57	50%	0.504	S	S	*	.	H	α-helix	trans	-61	-45	177.7	174.2	-103.7	0	0	0	112.3	A800 R801 K806 M807 R808	A800-F804 WeakPolarHBondContact O-CB 3.28Å; A800-F804 PolarHBondContact O-N 2.97Å; R801-F804 PolarHBondContact O-N 3.43Å; F804-K806 VanDerWaalsContact C-N 3.32Å; F804-K806 PolarHBondContact O-N 3.02Å; F804-M807 WeakPolarHBondContact O-CB 3.46Å; F804-M807 PolarHBondContact O-N 3.28Å; F804-R808 WeakPolarHBondContact O-CB 3.15Å; F804-R808 PolarHBondContact O-N 2.73Å
805	L	95.7	Very high	91.8	Very high	62 Å²	62	106.6 Å²	106.6	33%	0.325	50%	0.496	S	S	.	.	H	α-helix	trans	-64.7	-37	177.9	-70.4	175	0	0	0	112	R801 K802 R803 R809	R801-L805 HydrophobicContact CG-CD1 4.03Å; R801-L805 HydrophobicContact CG-CG 4.33Å; R801-L805 WeakPolarHBondContact O-CB 3.45Å; R801-L805 VanDerWaalsContact O-CG 3.27Å; R801-L805 WeakPolarHBondContact O-CG 3.44Å; R801-L805 PolarHBondContact O-N 2.8Å; K802-L805 PolarHBondContact O-N 3.27Å; R803-L805 PolarHBondContact O-N 2.93Å; L805-R809 WeakPolarHBondContact O-CB 3.36Å; L805-R809 VanDerWaalsContact O-CG 3.31Å; L805-R809 WeakPolarHBondContact O-CG 3.47Å; L805-R809 PolarHBondContact O-N 3.33Å
806	K	91.3	Very high	91.4	Very high	152 Å²	152	107.5 Å²	107.5	66%	0.661	50%	0.501	S	S	*	.	H	α-helix	trans	-63.3	-48.3	172.5	-171.7	177.2	-178.3	179.2	0	111.1	K802 R803 F804 R808 R809 S810	K802-K806 WeakPolarHBondContact O-CB 3.32Å; K802-K806 PolarHBondContact O-N 3.46Å; R803-K806 PolarHBondContact O-N 3.05Å; F804-K806 VanDerWaalsContact C-N 3.32Å; F804-K806 PolarHBondContact O-N 3.02Å; K806-R808 PolarHBondContact O-N 2.8Å; K806-R809 PolarHBondContact O-N 3.06Å; K806-S810 PolarHBondContact O-N 3.35Å; K806-S810 PolarHBondContact O-OG 2.84Å
807	M	91.2	Very high	90.8	Very high	124 Å²	124	106.6 Å²	106.6	61%	0.611	50%	0.502	S	S	*	.	H	α-helix	trans	-56.8	-49.3	175.9	-176.2	67.4	82.2	0	0	111.4	R803 F804 R809 S810 V811	R803-M807 PolarHBondContact O-N 2.94Å; F804-M807 WeakPolarHBondContact O-CB 3.46Å; F804-M807 PolarHBondContact O-N 3.28Å; M807-R809 PolarHBondContact O-N 3.36Å; M807-S810 PolarHBondContact O-N 3.46Å; M807-V811 WeakPolarHBondContact O-CG2 3.13Å; M807-V811 PolarHBondContact O-N 2.68Å
808	R	94.5	Very high	90.1	Very high	145 Å²	145	106.2 Å²	106.2	55%	0.547	50%	0.498	S	S	.	.	H	α-helix	trans	-59	-44.2	178.4	-178.8	179.3	170	-168.1	-2.6	112	F804 K806 V811 L812	F804-R808 WeakPolarHBondContact O-CB 3.15Å; F804-R808 PolarHBondContact O-N 2.73Å; K806-R808 PolarHBondContact O-N 2.8Å; R808-V811 PolarHBondContact O-N 2.85Å; R808-L812 HydrophobicContact CG-CD1 4.07Å; R808-L812 HydrophobicContact CG-CG 4.44Å; R808-L812 WeakPolarHBondContact O-CB 3.46Å; R808-L812 VanDerWaalsContact O-CG 3.31Å; R808-L812 WeakPolarHBondContact O-CG 3.45Å; R808-L812 PolarHBondContact O-N 3.01Å
809	R	90.8	Very high	89.9	Confident	182 Å²	182	106.3 Å²	106.3	69%	0.687	50%	0.497	S	S	*	.	H	α-helix	trans	-60.6	-46.1	175.8	-75.3	175.3	-176.6	176.1	1	111.1	L805 K806 M807 V811 L812 T813	L805-R809 WeakPolarHBondContact O-CB 3.36Å; L805-R809 VanDerWaalsContact O-CG 3.31Å; L805-R809 WeakPolarHBondContact O-CG 3.47Å; L805-R809 PolarHBondContact O-N 3.33Å; K806-R809 PolarHBondContact O-N 3.06Å; M807-R809 PolarHBondContact O-N 3.36Å; R809-V811 PolarHBondContact O-N 2.9Å; R809-L812 PolarHBondContact O-N 2.88Å; R809-T813 WeakPolarHBondContact O-CB 3.36Å; R809-T813 PolarHBondContact O-N 2.9Å; R809-T813 PolarHBondContact O-OG1 2.77Å
810	S	87.5	Confident	89.4	Confident	59 Å²	59	107.4 Å²	107.4	41%	0.413	51%	0.51	S	S	.	.	H	α-helix	trans	-60.4	-44.9	176.4	-59.8	0	0	0	0	112.5	K806 M807 T813 I814	K806-S810 PolarHBondContact O-N 3.35Å; K806-S810 PolarHBondContact O-OG 2.84Å; M807-S810 PolarHBondContact O-N 3.46Å; S810-T813 WeakPolarHBondContact O-CB 3.27Å; S810-T813 PolarHBondContact O-N 3.37Å; S810-I814 WeakPolarHBondContact O-CG1 3.3Å; S810-I814 PolarHBondContact O-N 3.13Å
811	V	89	Confident	88.8	Confident	63 Å²	63	111 Å²	111	38%	0.382	51%	0.511	S	S	.	.	H	α-helix	trans	-61.3	-47	176.6	171.3	0	0	0	0	111	M807 R808 R809 T813 I814 Q815	M807-V811 WeakPolarHBondContact O-CG2 3.13Å; M807-V811 PolarHBondContact O-N 2.68Å; R808-V811 PolarHBondContact O-N 2.85Å; R809-V811 PolarHBondContact O-N 2.9Å; V811-T813 VanDerWaalsContact C-N 3.31Å; V811-T813 PolarHBondContact O-N 2.89Å; V811-I814 PolarHBondContact O-N 3.37Å; V811-Q815 HydrophobicContact CG1-CG 4.4Å; V811-Q815 WeakPolarHBondContact O-CB 3.4Å; V811-Q815 VanDerWaalsContact O-CG 3.32Å; V811-Q815 WeakPolarHBondContact O-CG 3.12Å; V811-Q815 PolarHBondContact O-N 2.97Å
812	L	91.3	Very high	88.3	Confident	65 Å²	65	107.8 Å²	107.8	34%	0.34	51%	0.507	S	S	.	.	H	α-helix	trans	-61.1	-40.7	177	-73.2	173.1	0	0	0	111.7	R808 R809 Q815 H816	R808-L812 HydrophobicContact CG-CD1 4.07Å; R808-L812 HydrophobicContact CG-CG 4.44Å; R808-L812 WeakPolarHBondContact O-CB 3.46Å; R808-L812 VanDerWaalsContact O-CG 3.31Å; R808-L812 WeakPolarHBondContact O-CG 3.45Å; R808-L812 PolarHBondContact O-N 3.01Å; R809-L812 PolarHBondContact O-N 2.88Å; L812-Q815 PolarHBondContact O-N 3.47Å; L812-H816 WeakPolarHBondContact O-CB 3.25Å; L812-H816 PolarHBondContact O-CD2 2.86Å; L812-H816 PolarHBondContact O-N 3.34Å
813	T	86.1	Confident	87.7	Confident	69 Å²	69	106 Å²	106	42%	0.423	51%	0.51	S	S	.	.	H	α-helix	trans	-60.3	-49.2	174.6	-62	0	0	0	0	111.2	R809 S810 V811 Q815 H816 F817	R809-T813 WeakPolarHBondContact O-CB 3.36Å; R809-T813 PolarHBondContact O-N 2.9Å; R809-T813 PolarHBondContact O-OG1 2.77Å; S810-T813 WeakPolarHBondContact O-CB 3.27Å; S810-T813 PolarHBondContact O-N 3.37Å; V811-T813 VanDerWaalsContact C-N 3.31Å; V811-T813 PolarHBondContact O-N 2.89Å; T813-Q815 VanDerWaalsContact C-N 3.32Å; T813-Q815 PolarHBondContact O-N 2.75Å; T813-H816 PolarHBondContact O-N 2.98Å; T813-F817 HydrophobicContact CG2-CD2 3.71Å; T813-F817 HydrophobicContact CG2-CE2 3.52Å; T813-F817 WeakPolarHBondContact O-CD2 3.43Å; T813-F817 PolarHBondContact O-N 2.76Å
814	I	83.4	Confident	87.1	Confident	122 Å²	122	104.1 Å²	104.1	63%	0.626	50%	0.503	S	S	*	.	H	α-helix	trans	-59.3	-44.3	176.8	-67.8	165.5	0	0	0	110.8	S810 V811 H816 F817 G818	S810-I814 WeakPolarHBondContact O-CG1 3.3Å; S810-I814 PolarHBondContact O-N 3.13Å; V811-I814 PolarHBondContact O-N 3.37Å; I814-H816 PolarHBondContact O-N 3.43Å; I814-F817 PolarHBondContact O-N 2.92Å; I814-G818 PolarHBondContact O-N 2.88Å
815	Q	91.5	Very high	86.6	Confident	79 Å²	79	105.3 Å²	105.3	37%	0.369	50%	0.503	S	S	.	.	H	α-helix	trans	-63.7	-39.8	177.1	-72.1	-178.9	-7.6	0	0	112.4	V811 L812 T813 G818 R819	V811-Q815 HydrophobicContact CG1-CG 4.4Å; V811-Q815 WeakPolarHBondContact O-CB 3.4Å; V811-Q815 VanDerWaalsContact O-CG 3.32Å; V811-Q815 WeakPolarHBondContact O-CG 3.12Å; V811-Q815 PolarHBondContact O-N 2.97Å; L812-Q815 PolarHBondContact O-N 3.47Å; T813-Q815 VanDerWaalsContact C-N 3.32Å; T813-Q815 PolarHBondContact O-N 2.75Å; Q815-G818 PolarHBondContact O-N 2.88Å; Q815-R819 WeakPolarHBondContact O-CB 3.06Å; Q815-R819 VanDerWaalsContact O-CG 3.27Å; Q815-R819 WeakPolarHBondContact O-CG 3.32Å; Q815-R819 PolarHBondContact O-N 2.95Å
816	H	85.4	Confident	86.2	Confident	120 Å²	120	110.1 Å²	110.1	56%	0.556	52%	0.517	S	S	*	.	H	α-helix	trans	-62.4	-45.7	174.9	-78.3	-48.9	0	0	0	111.5	L812 T813 I814 R819 A820	L812-H816 WeakPolarHBondContact O-CB 3.25Å; L812-H816 PolarHBondContact O-CD2 2.86Å; L812-H816 PolarHBondContact O-N 3.34Å; T813-H816 PolarHBondContact O-N 2.98Å; I814-H816 PolarHBondContact O-N 3.43Å; H816-R819 PolarHBondContact O-N 3.37Å; H816-A820 VanDerWaalsContact O-CB 3.29Å; H816-A820 WeakPolarHBondContact O-CB 3.33Å; H816-A820 PolarHBondContact O-N 3.45Å
817	F	82.4	Confident	85.6	Confident	151 Å²	151	104.9 Å²	104.9	66%	0.662	50%	0.498	S	S	*	.	H	α-helix	trans	-62.8	-42.6	174.7	-80.7	-69.9	0	0	0	112.3	T813 I814 A820 W821	T813-F817 HydrophobicContact CG2-CD2 3.71Å; T813-F817 HydrophobicContact CG2-CE2 3.52Å; T813-F817 WeakPolarHBondContact O-CD2 3.43Å; T813-F817 PolarHBondContact O-N 2.76Å; I814-F817 PolarHBondContact O-N 2.92Å; F817-A820 PolarHBondContact O-N 2.9Å; F817-W821 VanDerWaalsContact O-CB 3.3Å; F817-W821 WeakPolarHBondContact O-CB 3.23Å; F817-W821 PolarHBondContact O-N 2.84Å
818	G	79.9	Confident	85	Confident	32 Å²	32	104.9 Å²	104.9	33%	0.33	49%	0.491	S	S	.	.	H	α-helix	trans	-60.7	-46.1	176.5	0	0	0	0	0	112.5	I814 Q815 W821 L822	I814-G818 PolarHBondContact O-N 2.88Å; Q815-G818 PolarHBondContact O-N 2.88Å; G818-W821 PolarHBondContact O-N 3.18Å; G818-L822 WeakPolarHBondContact O-CG 3.25Å; G818-L822 PolarHBondContact O-N 3.45Å
819	R	90.4	Very high	84.5	Confident	138 Å²	138	103.9 Å²	103.9	52%	0.521	49%	0.491	S	S	.	.	H	α-helix	trans	-64.2	-43.4	175.8	-71.4	175.3	-174	120.6	2.4	112	Q815 H816 L822 A823	Q815-R819 WeakPolarHBondContact O-CB 3.06Å; Q815-R819 VanDerWaalsContact O-CG 3.27Å; Q815-R819 WeakPolarHBondContact O-CG 3.32Å; Q815-R819 PolarHBondContact O-N 2.95Å; H816-R819 PolarHBondContact O-N 3.37Å; R819-L822 PolarHBondContact O-N 2.8Å; R819-A823 WeakPolarHBondContact O-CB 3.5Å; R819-A823 PolarHBondContact O-N 3.47Å
820	A	81.1	Confident	84.3	Confident	58 Å²	58	97.7 Å²	97.7	48%	0.479	47%	0.471	S	S	.	.	H	α-helix	trans	-63	-41.3	176.7	0	0	0	0	0	111.8	H816 F817 A823 W824	H816-A820 VanDerWaalsContact O-CB 3.29Å; H816-A820 WeakPolarHBondContact O-CB 3.33Å; H816-A820 PolarHBondContact O-N 3.45Å; F817-A820 PolarHBondContact O-N 2.9Å; A820-A823 PolarHBondContact O-N 3.03Å; A820-W824 WeakPolarHBondContact O-CB 3.1Å; A820-W824 PolarHBondContact O-N 3.35Å
821	W	82.2	Confident	84	Confident	132 Å²	132	100.6 Å²	100.6	50%	0.5	48%	0.478	S	S	.	.	H	α-helix	trans	-66.2	-43.5	177	-179.9	85.3	0	0	0	112.4	F817 G818 A823 W824 R825	F817-W821 VanDerWaalsContact O-CB 3.3Å; F817-W821 WeakPolarHBondContact O-CB 3.23Å; F817-W821 PolarHBondContact O-N 2.84Å; G818-W821 PolarHBondContact O-N 3.18Å; W821-A823 VanDerWaalsContact C-N 3.33Å; W821-A823 PolarHBondContact O-N 2.98Å; W821-W824 PolarHBondContact O-N 2.85Å; W821-R825 WeakPolarHBondContact O-CB 3.2Å; W821-R825 PolarHBondContact O-N 2.94Å
822	L	82.9	Confident	83.6	Confident	109 Å²	109	103.1 Å²	103.1	57%	0.571	49%	0.487	S	S	*	.	H	α-helix	trans	-58.2	-45.9	173.1	-78.3	164	0	0	0	111.1	G818 R819 R825 W826	G818-L822 WeakPolarHBondContact O-CG 3.25Å; G818-L822 PolarHBondContact O-N 3.45Å; R819-L822 PolarHBondContact O-N 2.8Å; L822-R825 PolarHBondContact O-N 3.46Å; L822-W826 WeakPolarHBondContact O-CB 3.33Å; L822-W826 PolarHBondContact O-N 2.94Å
823	A	81	Confident	83.3	Confident	55 Å²	55	107.2 Å²	107.2	46%	0.455	50%	0.499	S	S	.	.	H	α-helix	trans	-64.1	-40.1	177.1	0	0	0	0	0	112.6	R819 A820 W821 T827	R819-A823 WeakPolarHBondContact O-CB 3.5Å; R819-A823 PolarHBondContact O-N 3.47Å; A820-A823 PolarHBondContact O-N 3.03Å; W821-A823 VanDerWaalsContact C-N 3.33Å; W821-A823 PolarHBondContact O-N 2.98Å; A823-T827 WeakPolarHBondContact O-CB 3.42Å; A823-T827 PolarHBondContact O-N 2.85Å; A823-T827 PolarHBondContact O-OG1 3.2Å
824	W	79	Confident	82.9	Confident	140 Å²	140	107.4 Å²	107.4	53%	0.53	50%	0.5	S	S	.	.	H	α-helix	trans	-65.1	-46.3	175.1	179.2	82	0	0	0	111.7	A820 W821 W826 T827 R828	A820-W824 WeakPolarHBondContact O-CB 3.1Å; A820-W824 PolarHBondContact O-N 3.35Å; W821-W824 PolarHBondContact O-N 2.85Å; W824-W826 VanDerWaalsContact C-N 3.33Å; W824-W826 PolarHBondContact O-N 3.35Å; W824-T827 CarbonylContact O-C 3.58Å; W824-T827 WeakPolarHBondContact O-CB 3.41Å; W824-T827 PolarHBondContact O-N 2.81Å; W824-T827 VanDerWaalsContact O-N 3.12Å; W824-R828 WeakPolarHBondContact O-CB 3.44Å; W824-R828 PolarHBondContact O-N 2.86Å
825	R	81.7	Confident	82.4	Confident	154 Å²	154	103.7 Å²	103.7	58%	0.581	49%	0.488	S	S	*	.	H	α-helix	trans	-59.2	-44.5	177.9	-174.6	175.4	178.9	121.6	-0.9	111.4	W821 L822 R828 F829	W821-R825 WeakPolarHBondContact O-CB 3.2Å; W821-R825 PolarHBondContact O-N 2.94Å; L822-R825 PolarHBondContact O-N 3.46Å; R825-R828 PolarHBondContact O-N 2.79Å; R825-F829 WeakPolarHBondContact O-CB 3.41Å; R825-F829 PolarHBondContact O-N 2.82Å
826	W	87.9	Confident	81.8	Confident	164 Å²	164	102 Å²	102	62%	0.621	49%	0.487	S	S	*	.	H	α-helix	trans	-62.2	-43.2	174.3	-172.5	-108.9	0	0	0	112.1	L822 W824 F829 I830	L822-W826 WeakPolarHBondContact O-CB 3.33Å; L822-W826 PolarHBondContact O-N 2.94Å; W824-W826 VanDerWaalsContact C-N 3.33Å; W824-W826 PolarHBondContact O-N 3.35Å; W826-F829 WeakPolarHBondContact O-CB 3.23Å; W826-F829 PolarHBondContact O-N 3.46Å; W826-I830 HydrophobicContact CG-CD1 4.36Å; W826-I830 WeakPolarHBondContact O-CG1 3.48Å; W826-I830 PolarHBondContact O-N 2.96Å
827	T	78.1	Confident	81.6	Confident	41 Å²	41	98.9 Å²	98.9	25%	0.252	48%	0.477	S	S	.	.	H	α-helix	trans	-64.4	-42.4	177.4	-60.9	0	0	0	0	112.2	A823 W824 I830 Q831	A823-T827 WeakPolarHBondContact O-CB 3.42Å; A823-T827 PolarHBondContact O-N 2.85Å; A823-T827 PolarHBondContact O-OG1 3.2Å; W824-T827 CarbonylContact O-C 3.58Å; W824-T827 WeakPolarHBondContact O-CB 3.41Å; W824-T827 PolarHBondContact O-N 2.81Å; W824-T827 VanDerWaalsContact O-N 3.12Å; T827-I830 PolarHBondContact O-N 2.99Å; T827-Q831 WeakPolarHBondContact O-CG 3.44Å; T827-Q831 PolarHBondContact O-N 3.17Å
828	R	79.5	Confident	81.2	Confident	125 Å²	125	97 Å²	97	47%	0.472	47%	0.473	S	S	.	.	H	α-helix	trans	-63.7	-41.6	176.5	-159	-178	90.6	173.8	6.8	111.3	W824 R825 Q831 M832	W824-R828 WeakPolarHBondContact O-CB 3.44Å; W824-R828 PolarHBondContact O-N 2.86Å; R825-R828 PolarHBondContact O-N 2.79Å; R828-Q831 PolarHBondContact O-N 2.87Å; R828-M832 WeakPolarHBondContact O-CB 3.47Å; R828-M832 VanDerWaalsContact O-CG 3.27Å; R828-M832 WeakPolarHBondContact O-CG 3.38Å; R828-M832 PolarHBondContact O-N 3.2Å
829	F	84.6	Confident	81.1	Confident	123 Å²	123	101.2 Å²	101.2	54%	0.539	49%	0.487	S	S	.	.	H	α-helix	trans	-58.4	-47.2	173.4	175.6	-98.9	0	0	0	111.6	R825 W826 Q831 M832 Y833	R825-F829 WeakPolarHBondContact O-CB 3.41Å; R825-F829 PolarHBondContact O-N 2.82Å; W826-F829 WeakPolarHBondContact O-CB 3.23Å; W826-F829 PolarHBondContact O-N 3.46Å; F829-Q831 PolarHBondContact O-N 3.16Å; F829-M832 PolarHBondContact O-N 3.47Å; F829-Y833 WeakPolarHBondContact O-CB 3.36Å; F829-Y833 PolarHBondContact O-N 3.43Å
830	I	84.8	Confident	80.8	Confident	53 Å²	53	100 Å²	100	27%	0.272	49%	0.487	S	S	.	.	H	α-helix	trans	-61.5	-44.4	175.7	-67.3	165.6	0	0	0	111.3	W826 T827 M832 Y833 V834	W826-I830 HydrophobicContact CG-CD1 4.36Å; W826-I830 WeakPolarHBondContact O-CG1 3.48Å; W826-I830 PolarHBondContact O-N 2.96Å; T827-I830 PolarHBondContact O-N 2.99Å; I830-M832 PolarHBondContact O-N 3.28Å; I830-Y833 PolarHBondContact O-N 2.94Å; I830-V834 HydrophobicContact CG2-CG2 4.29Å; I830-V834 WeakPolarHBondContact O-CG2 3.28Å; I830-V834 PolarHBondContact O-N 3.29Å
831	Q	83	Confident	80.9	Confident	120 Å²	120	100.3 Å²	100.3	56%	0.561	49%	0.485	S	S	*	.	H	α-helix	trans	-62	-42.7	177.6	-75.6	173.5	-16.7	0	0	112	T827 R828 F829 Y833 V834 A835	T827-Q831 WeakPolarHBondContact O-CG 3.44Å; T827-Q831 PolarHBondContact O-N 3.17Å; R828-Q831 PolarHBondContact O-N 2.87Å; F829-Q831 PolarHBondContact O-N 3.16Å; Q831-Y833 VanDerWaalsContact C-N 3.34Å; Q831-V834 PolarHBondContact O-N 3.34Å; Q831-A835 VanDerWaalsContact O-CB 3.25Å; Q831-A835 WeakPolarHBondContact O-CB 3.42Å; Q831-A835 PolarHBondContact O-N 3.05Å
832	M	79.2	Confident	80.8	Confident	115 Å²	115	100.2 Å²	100.2	57%	0.567	49%	0.489	S	S	*	.	H	α-helix	trans	-62.2	-42.4	175.2	-73.1	176.1	68	0	0	111.3	R828 F829 I830 A835 A836	R828-M832 WeakPolarHBondContact O-CB 3.47Å; R828-M832 VanDerWaalsContact O-CG 3.27Å; R828-M832 WeakPolarHBondContact O-CG 3.38Å; R828-M832 PolarHBondContact O-N 3.2Å; F829-M832 PolarHBondContact O-N 3.47Å; I830-M832 PolarHBondContact O-N 3.28Å; M832-A835 PolarHBondContact O-N 3.31Å; M832-A836 WeakPolarHBondContact O-CB 3.41Å; M832-A836 PolarHBondContact O-N 3.48Å
833	Y	84.5	Confident	80.7	Confident	152 Å²	152	101.7 Å²	101.7	60%	0.596	49%	0.491	S	S	*	.	H	α-helix	trans	-64.1	-47.4	177	-171.3	-92.5	0	0	0	111.8	F829 I830 Q831 A835 A836 T837	F829-Y833 WeakPolarHBondContact O-CB 3.36Å; F829-Y833 PolarHBondContact O-N 3.43Å; I830-Y833 PolarHBondContact O-N 2.94Å; Q831-Y833 VanDerWaalsContact C-N 3.34Å; Y833-A835 PolarHBondContact O-N 2.87Å; Y833-A836 WeakPolarHBondContact O-CB 3.26Å; Y833-A836 PolarHBondContact O-N 3.28Å; Y833-T837 HydrophobicContact CD1-CG2 4.3Å; Y833-T837 HydrophobicContact CE1-CG2 3.98Å; Y833-T837 WeakPolarHBondContact O-CG2 3.09Å; Y833-T837 PolarHBondContact O-N 2.97Å; Y833-T837 PolarHBondContact O-OG1 3.08Å
834	V	78.9	Confident	81	Confident	72 Å²	72	106 Å²	106	44%	0.436	50%	0.499	S	S	.	.	H	α-helix	trans	-61.8	-45.5	176.5	171.9	0	0	0	0	110.8	I830 Q831 A836 T837 L838	I830-V834 HydrophobicContact CG2-CG2 4.29Å; I830-V834 WeakPolarHBondContact O-CG2 3.28Å; I830-V834 PolarHBondContact O-N 3.29Å; Q831-V834 PolarHBondContact O-N 3.34Å; V834-A836 VanDerWaalsContact C-N 3.34Å; V834-A836 PolarHBondContact O-N 2.92Å; V834-T837 WeakPolarHBondContact CA-OG1 3.45Å; V834-T837 PolarHBondContact O-N 3.03Å; V834-T837 PolarHBondContact O-OG1 3.21Å; V834-L838 HydrophobicContact CG1-CD1 4.39Å; V834-L838 WeakPolarHBondContact O-CB 3.19Å; V834-L838 PolarHBondContact O-N 3.45Å
835	A	72.4	Confident	81.4	Confident	45 Å²	45	103.9 Å²	103.9	37%	0.372	50%	0.496	S	S	.	.	H	α-helix	trans	-60	-43.1	176.1	0	0	0	0	0	111.9	Q831 M832 Y833 L838 I839	Q831-A835 VanDerWaalsContact O-CB 3.25Å; Q831-A835 WeakPolarHBondContact O-CB 3.42Å; Q831-A835 PolarHBondContact O-N 3.05Å; M832-A835 PolarHBondContact O-N 3.31Å; Y833-A835 PolarHBondContact O-N 2.87Å; A835-L838 PolarHBondContact O-N 3.47Å; A835-I839 VanDerWaalsContact O-CG1 3.28Å; A835-I839 WeakPolarHBondContact O-CG1 3.47Å; A835-I839 PolarHBondContact O-N 2.82Å
836	A	79.6	Confident	81.5	Confident	43 Å²	43	99.3 Å²	99.3	36%	0.355	49%	0.486	S	S	.	.	H	α-helix	trans	-59.9	-47	175.1	0	0	0	0	0	111.5	M832 Y833 V834 L838 I839 Q840	M832-A836 WeakPolarHBondContact O-CB 3.41Å; M832-A836 PolarHBondContact O-N 3.48Å; Y833-A836 WeakPolarHBondContact O-CB 3.26Å; Y833-A836 PolarHBondContact O-N 3.28Å; V834-A836 VanDerWaalsContact C-N 3.34Å; V834-A836 PolarHBondContact O-N 2.92Å; A836-L838 VanDerWaalsContact C-N 3.33Å; A836-L838 PolarHBondContact O-N 2.84Å; A836-I839 PolarHBondContact O-N 2.89Å; A836-Q840 WeakPolarHBondContact O-CB 3.35Å; A836-Q840 WeakPolarHBondContact O-CG 3.2Å; A836-Q840 PolarHBondContact O-N 2.93Å
837	T	79.6	Confident	81.5	Confident	55 Å²	55	94.2 Å²	94.2	34%	0.337	47%	0.472	S	S	.	.	H	α-helix	trans	-63.4	-37.6	176.5	55.6	0	0	0	0	112.8	Y833 V834 Q840 S841	Y833-T837 HydrophobicContact CD1-CG2 4.3Å; Y833-T837 HydrophobicContact CE1-CG2 3.98Å; Y833-T837 WeakPolarHBondContact O-CG2 3.09Å; Y833-T837 PolarHBondContact O-N 2.97Å; Y833-T837 PolarHBondContact O-OG1 3.08Å; V834-T837 WeakPolarHBondContact CA-OG1 3.45Å; V834-T837 PolarHBondContact O-N 3.03Å; V834-T837 PolarHBondContact O-OG1 3.21Å; T837-Q840 PolarHBondContact O-N 2.79Å; T837-S841 VanDerWaalsContact O-CB 3.3Å; T837-S841 WeakPolarHBondContact O-CB 3.5Å; T837-S841 PolarHBondContact O-N 3.25Å; T837-S841 PolarHBondContact O-OG 2.91Å
838	L	75.9	Confident	81.9	Confident	111 Å²	111	96.6 Å²	96.6	58%	0.581	49%	0.487	S	S	*	.	H	α-helix	trans	-63.2	-50.3	175.9	-111.7	161.8	0	0	0	111.1	V834 A835 A836 Q840 S841 F842	V834-L838 HydrophobicContact CG1-CD1 4.39Å; V834-L838 WeakPolarHBondContact O-CB 3.19Å; V834-L838 PolarHBondContact O-N 3.45Å; A835-L838 PolarHBondContact O-N 3.47Å; A836-L838 VanDerWaalsContact C-N 3.33Å; A836-L838 PolarHBondContact O-N 2.84Å; L838-Q840 VanDerWaalsContact C-N 3.33Å; L838-Q840 PolarHBondContact O-N 3.48Å; L838-S841 PolarHBondContact O-N 3.45Å; L838-S841 PolarHBondContact O-OG 3.26Å; L838-F842 WeakPolarHBondContact O-CB 3.49Å; L838-F842 PolarHBondContact O-N 3.32Å
839	I	75.9	Confident	82.3	Confident	121 Å²	121	97.2 Å²	97.2	62%	0.621	49%	0.489	S	S	*	.	H	α-helix	trans	-58.9	-46.6	177.1	-68.6	166	0	0	0	110.4	A835 A836 S841 F842 F843	A835-I839 VanDerWaalsContact O-CG1 3.28Å; A835-I839 WeakPolarHBondContact O-CG1 3.47Å; A835-I839 PolarHBondContact O-N 2.82Å; A836-I839 PolarHBondContact O-N 2.89Å; I839-S841 PolarHBondContact O-N 3.27Å; I839-F842 PolarHBondContact O-N 2.75Å; I839-F843 VanDerWaalsContact O-CB 3.3Å; I839-F843 WeakPolarHBondContact O-CB 3.28Å; I839-F843 PolarHBondContact O-N 2.88Å
840	Q	85.7	Confident	82.4	Confident	112 Å²	112	100.3 Å²	100.3	52%	0.523	50%	0.497	S	S	.	.	H	α-helix	trans	-61	-43.7	177.4	-73.2	170.8	-12.7	0	0	112	A836 T837 L838 F843 K844	A836-Q840 WeakPolarHBondContact O-CB 3.35Å; A836-Q840 WeakPolarHBondContact O-CG 3.2Å; A836-Q840 PolarHBondContact O-N 2.93Å; T837-Q840 PolarHBondContact O-N 2.79Å; L838-Q840 VanDerWaalsContact C-N 3.33Å; L838-Q840 PolarHBondContact O-N 3.48Å; Q840-F843 PolarHBondContact O-N 3.04Å; Q840-K844 VanDerWaalsContact O-CG 3.29Å; Q840-K844 WeakPolarHBondContact O-CG 3.24Å; Q840-K844 PolarHBondContact O-N 3.43Å
841	S	81.8	Confident	82.6	Confident	64 Å²	64	106.6 Å²	106.6	45%	0.448	52%	0.518	S	S	.	.	H	α-helix	trans	-66.3	-41.4	178.8	72.4	0	0	0	0	112.2	T837 L838 I839 K844 M845	T837-S841 VanDerWaalsContact O-CB 3.3Å; T837-S841 WeakPolarHBondContact O-CB 3.5Å; T837-S841 PolarHBondContact O-N 3.25Å; T837-S841 PolarHBondContact O-OG 2.91Å; L838-S841 PolarHBondContact O-N 3.45Å; L838-S841 PolarHBondContact O-OG 3.26Å; I839-S841 PolarHBondContact O-N 3.27Å; S841-K844 PolarHBondContact O-N 2.79Å; S841-M845 WeakPolarHBondContact O-CB 3.43Å; S841-M845 PolarHBondContact O-N 3.13Å
842	F	81.8	Confident	82.7	Confident	130 Å²	130	106.1 Å²	106.1	57%	0.57	51%	0.514	S	S	*	.	H	α-helix	trans	-64.9	-44.7	176.9	-170.8	-96.9	0	0	0	110.9	L838 I839 K844 M845 V846	L838-F842 WeakPolarHBondContact O-CB 3.49Å; L838-F842 PolarHBondContact O-N 3.32Å; I839-F842 PolarHBondContact O-N 2.75Å; F842-K844 PolarHBondContact O-N 3.17Å; F842-M845 HydrophobicContact CD2-CE 3.51Å; F842-M845 HydrophobicContact CE2-CE 3.48Å; F842-M845 VanDerWaalsContact CE2-CE 3.48Å; F842-M845 HydrophobicContact CG-CE 4.3Å; F842-M845 HydrophobicContact CZ-CE 4.24Å; F842-M845 PolarHBondContact O-N 3.05Å; F842-V846 HydrophobicContact CD1-CG2 3.99Å; F842-V846 HydrophobicContact CE1-CG2 3.68Å; F842-V846 HydrophobicContact CZ-CG2 4.1Å; F842-V846 WeakPolarHBondContact O-CG2 3.49Å; F842-V846 PolarHBondContact O-N 3.04Å
843	F	80.1	Confident	83.2	Confident	141 Å²	141	103.7 Å²	103.7	62%	0.618	50%	0.503	S	S	*	.	H	α-helix	trans	-59.1	-47.3	175.5	-176.9	-98.8	0	0	0	111.9	I839 Q840 M845 V846 V847	I839-F843 VanDerWaalsContact O-CB 3.3Å; I839-F843 WeakPolarHBondContact O-CB 3.28Å; I839-F843 PolarHBondContact O-N 2.88Å; Q840-F843 PolarHBondContact O-N 3.04Å; F843-M845 VanDerWaalsContact C-N 3.32Å; F843-M845 PolarHBondContact O-N 3.02Å; F843-V846 PolarHBondContact O-N 3.3Å; F843-V847 HydrophobicContact CD1-CG2 4.39Å; F843-V847 HydrophobicContact CE1-CG2 4.04Å; F843-V847 HydrophobicContact CZ-CG2 4.13Å; F843-V847 WeakPolarHBondContact O-CG2 3.39Å; F843-V847 PolarHBondContact O-N 2.92Å
844	K	87	Confident	83.2	Confident	145 Å²	145	101.8 Å²	101.8	63%	0.63	50%	0.503	S	S	*	.	H	α-helix	trans	-59.1	-41.8	175.4	-73.5	175.3	-177.2	-176.8	0	112.2	Q840 S841 F842 T848	Q840-K844 VanDerWaalsContact O-CG 3.29Å; Q840-K844 WeakPolarHBondContact O-CG 3.24Å; Q840-K844 PolarHBondContact O-N 3.43Å; S841-K844 PolarHBondContact O-N 2.79Å; F842-K844 PolarHBondContact O-N 3.17Å; K844-T848 WeakPolarHBondContact O-CB 3.39Å; K844-T848 PolarHBondContact O-N 3.26Å; K844-T848 VanDerWaalsContact O-N 3.09Å; K844-T848 PolarHBondContact O-OG1 3.34Å
845	M	86.9	Confident	83.4	Confident	95 Å²	95	104.4 Å²	104.4	47%	0.468	51%	0.514	S	S	.	.	H	α-helix	trans	-63.8	-46.4	177	177.3	-87.5	-69.6	0	0	111.7	S841 F842 F843 V847 T848 R849	S841-M845 WeakPolarHBondContact O-CB 3.43Å; S841-M845 PolarHBondContact O-N 3.13Å; F842-M845 HydrophobicContact CD2-CE 3.51Å; F842-M845 HydrophobicContact CE2-CE 3.48Å; F842-M845 VanDerWaalsContact CE2-CE 3.48Å; F842-M845 HydrophobicContact CG-CE 4.3Å; F842-M845 HydrophobicContact CZ-CE 4.24Å; F842-M845 PolarHBondContact O-N 3.05Å; F843-M845 VanDerWaalsContact C-N 3.32Å; F843-M845 PolarHBondContact O-N 3.02Å; M845-V847 PolarHBondContact O-N 3.45Å; M845-T848 PolarHBondContact O-N 3.21Å; M845-R849 VanDerWaalsContact O-CB 3.31Å; M845-R849 WeakPolarHBondContact O-CB 3.28Å; M845-R849 PolarHBondContact O-N 3.47Å
846	V	83.6	Confident	83.8	Confident	59 Å²	59	107.3 Å²	107.3	36%	0.358	52%	0.52	S	S	.	.	H	α-helix	trans	-60.1	-45.4	178.4	169.5	0	0	0	0	111.5	F842 F843 T848 R849 R850	F842-V846 HydrophobicContact CD1-CG2 3.99Å; F842-V846 HydrophobicContact CE1-CG2 3.68Å; F842-V846 HydrophobicContact CZ-CG2 4.1Å; F842-V846 WeakPolarHBondContact O-CG2 3.49Å; F842-V846 PolarHBondContact O-N 3.04Å; F843-V846 PolarHBondContact O-N 3.3Å; V846-T848 VanDerWaalsContact C-N 3.33Å; V846-T848 PolarHBondContact O-N 2.74Å; V846-R849 PolarHBondContact O-N 2.84Å; V846-R850 PolarHBondContact O-N 2.99Å
847	V	87.9	Confident	83.6	Confident	56 Å²	56	112.8 Å²	112.8	34%	0.339	54%	0.536	S	S	.	.	H	α-helix	trans	-59.9	-44.6	176.9	171.8	0	0	0	0	111.1	F843 M845 R851	F843-V847 HydrophobicContact CD1-CG2 4.39Å; F843-V847 HydrophobicContact CE1-CG2 4.04Å; F843-V847 HydrophobicContact CZ-CG2 4.13Å; F843-V847 WeakPolarHBondContact O-CG2 3.39Å; F843-V847 PolarHBondContact O-N 2.92Å; M845-V847 PolarHBondContact O-N 3.45Å; V847-R851 PolarHBondContact O-N 2.8Å
848	T	86.4	Confident	83.5	Confident	91 Å²	91	113.5 Å²	113.5	56%	0.558	54%	0.543	S	S	*	.	H	α-helix	trans	-68.7	-42.2	-179.4	-51.8	0	0	0	0	111.9	K844 M845 V846 R850 R851 F852	K844-T848 WeakPolarHBondContact O-CB 3.39Å; K844-T848 PolarHBondContact O-N 3.26Å; K844-T848 VanDerWaalsContact O-N 3.09Å; K844-T848 PolarHBondContact O-OG1 3.34Å; M845-T848 PolarHBondContact O-N 3.21Å; V846-T848 VanDerWaalsContact C-N 3.33Å; V846-T848 PolarHBondContact O-N 2.74Å; T848-R850 VanDerWaalsContact C-N 3.33Å; T848-R850 PolarHBondContact O-N 3.36Å; T848-R851 PolarHBondContact O-N 3.04Å; T848-F852 PolarHBondContact O-N 3.26Å
849	R	88.8	Confident	83.4	Confident	139 Å²	139	110.2 Å²	110.2	53%	0.525	53%	0.532	S	S	.	.	H	α-helix	trans	-59.6	-41.9	176.8	-178.6	68.9	173.3	158.7	1.5	111.7	M845 V846 F852 L853	M845-R849 VanDerWaalsContact O-CB 3.31Å; M845-R849 WeakPolarHBondContact O-CB 3.28Å; M845-R849 PolarHBondContact O-N 3.47Å; V846-R849 PolarHBondContact O-N 2.84Å; R849-F852 PolarHBondContact O-N 3.33Å; R849-L853 HydrophobicContact CG-CD1 4.17Å; R849-L853 WeakPolarHBondContact O-CG 3.24Å; R849-L853 PolarHBondContact O-N 3.09Å
850	R	86.9	Confident	83.2	Confident	187 Å²	187	107.2 Å²	107.2	71%	0.706	52%	0.519	S	S	*	.	H	α-helix	trans	-61.9	-44.7	176.9	-122.1	175.9	-170.6	169.6	2.5	112	V846 T848 F852 L853 N854	V846-R850 PolarHBondContact O-N 2.99Å; T848-R850 VanDerWaalsContact C-N 3.33Å; T848-R850 PolarHBondContact O-N 3.36Å; R850-F852 VanDerWaalsContact C-N 3.35Å; R850-F852 PolarHBondContact O-N 2.99Å; R850-L853 PolarHBondContact O-N 3.33Å; R850-N854 PolarHBondContact O-N 3.37Å; R850-N854 VanDerWaalsContact O-N 3.14Å
851	R	88	Confident	82.2	Confident	186 Å²	186	105.2 Å²	105.2	70%	0.702	52%	0.518	S	S	*	.	H	α-helix	trans	-60.1	-44.1	175.6	-70.9	179.3	176.6	179.8	-1.9	111.9	V847 T848 N854 L855	V847-R851 PolarHBondContact O-N 2.8Å; T848-R851 PolarHBondContact O-N 3.04Å; R851-N854 PolarHBondContact O-N 3.38Å; R851-L855 PolarHBondContact O-N 3.43Å
852	F	86.2	Confident	81.6	Confident	109 Å²	109	108.1 Å²	108.1	48%	0.478	53%	0.527	S	S	.	.	H	α-helix	trans	-62.8	-47	178.3	175.7	-97.1	0	0	0	112.8	T848 R849 R850 N854 L855 Q856	T848-F852 PolarHBondContact O-N 3.26Å; R849-F852 PolarHBondContact O-N 3.33Å; R850-F852 VanDerWaalsContact C-N 3.35Å; R850-F852 PolarHBondContact O-N 2.99Å; F852-N854 VanDerWaalsContact C-N 3.32Å; F852-N854 PolarHBondContact O-N 2.8Å; F852-L855 WeakPolarHBondContact O-CB 3.42Å; F852-L855 PolarHBondContact O-N 2.9Å; F852-Q856 PolarHBondContact O-N 3.02Å
853	L	89	Confident	80.8	Confident	64 Å²	64	106.7 Å²	106.7	34%	0.335	52%	0.522	S	S	.	.	H	α-helix	trans	-63.1	-38.3	-179.5	-71.3	172.9	0	0	0	112.2	R849 R850 Q856 F857	R849-L853 HydrophobicContact CG-CD1 4.17Å; R849-L853 WeakPolarHBondContact O-CG 3.24Å; R849-L853 PolarHBondContact O-N 3.09Å; R850-L853 PolarHBondContact O-N 3.33Å; L853-Q856 PolarHBondContact O-N 3.17Å; L853-F857 PolarHBondContact O-N 2.93Å
854	N	86	Confident	79.7	Confident	112 Å²	112	109.1 Å²	109.1	60%	0.599	53%	0.527	S	S	*	.	H	α-helix	trans	-61.1	-44.9	173.9	-77.3	-2.8	0	0	0	111.7	R850 R851 F852 Q856 F857 S858	R850-N854 PolarHBondContact O-N 3.37Å; R850-N854 VanDerWaalsContact O-N 3.14Å; R851-N854 PolarHBondContact O-N 3.38Å; F852-N854 VanDerWaalsContact C-N 3.32Å; F852-N854 PolarHBondContact O-N 2.8Å; N854-Q856 VanDerWaalsContact C-N 3.32Å; N854-Q856 PolarHBondContact O-N 3.43Å; N854-F857 PolarHBondContact O-N 3.4Å; N854-S858 PolarHBondContact O-N 2.77Å; N854-S858 VanDerWaalsContact O-N 3.15Å; N854-S858 PolarHBondContact O-OG 2.89Å
855	L	81.6	Confident	78.5	Confident	128 Å²	128	105.6 Å²	105.6	67%	0.67	53%	0.525	S	S	*	.	H	α-helix	trans	-62.3	-40.8	178.1	-164.8	74.9	0	0	0	111.8	R851 F852 S858 A859	R851-L855 PolarHBondContact O-N 3.43Å; F852-L855 WeakPolarHBondContact O-CB 3.42Å; F852-L855 PolarHBondContact O-N 2.9Å; L855-S858 PolarHBondContact O-N 3.29Å; L855-A859 PolarHBondContact O-N 2.83Å; L855-A859 VanDerWaalsContact O-N 3.08Å
856	Q	81.2	Confident	77	Confident	105 Å²	105	109.2 Å²	109.2	49%	0.491	54%	0.535	S	S	.	.	H	α-helix	trans	-66	-40.4	179.2	-150	-156.4	0.6	0	0	112	F852 L853 N854 S858 A859 V860	F852-Q856 PolarHBondContact O-N 3.02Å; L853-Q856 PolarHBondContact O-N 3.17Å; N854-Q856 VanDerWaalsContact C-N 3.32Å; N854-Q856 PolarHBondContact O-N 3.43Å; Q856-S858 VanDerWaalsContact C-N 3.35Å; Q856-S858 PolarHBondContact O-N 3.32Å; Q856-A859 PolarHBondContact O-N 2.84Å; Q856-V860 WeakPolarHBondContact O-CG2 3.14Å; Q856-V860 PolarHBondContact O-N 2.98Å
857	F	76.5	Confident	75.5	Confident	158 Å²	158	114.6 Å²	114.6	69%	0.693	55%	0.549	S	S	*	.	H	α-helix	trans	-60.9	-42.6	175.6	-110.6	-79.9	0	0	0	112.2	L853 N854 S861	L853-F857 PolarHBondContact O-N 2.93Å; N854-F857 PolarHBondContact O-N 3.4Å; F857-S861 WeakPolarHBondContact O-CB 3.43Å; F857-S861 PolarHBondContact O-N 3.49Å; F857-S861 VanDerWaalsContact O-N 3.17Å; F857-S861 PolarHBondContact O-OG 2.55Å
858	S	76.7	Confident	73.9	Confident	71 Å²	71	116.1 Å²	116.1	50%	0.497	56%	0.561	S	S	.	*	H	α-helix	trans	-61.6	-44.2	174.9	-58.9	0	0	0	0	111.9	N854 L855 Q856 S861 I862	N854-S858 PolarHBondContact O-N 2.77Å; N854-S858 VanDerWaalsContact O-N 3.15Å; N854-S858 PolarHBondContact O-OG 2.89Å; L855-S858 PolarHBondContact O-N 3.29Å; Q856-S858 VanDerWaalsContact C-N 3.35Å; Q856-S858 PolarHBondContact O-N 3.32Å; S858-S861 PolarHBondContact O-N 3.32Å; S858-I862 WeakPolarHBondContact O-CG1 3.4Å; S858-I862 PolarHBondContact O-N 3.37Å
859	A	73.6	Confident	72.3	Confident	42 Å²	42	115.2 Å²	115.2	35%	0.347	56%	0.559	S	S	.	*	H	α-helix	trans	-63.8	-44.8	179.8	0	0	0	0	0	113	L855 Q856 S861 I862 Q863	L855-A859 PolarHBondContact O-N 2.83Å; L855-A859 VanDerWaalsContact O-N 3.08Å; Q856-A859 PolarHBondContact O-N 2.84Å; A859-S861 VanDerWaalsContact C-N 3.3Å; A859-S861 PolarHBondContact O-N 3.32Å; A859-I862 PolarHBondContact O-N 2.84Å; A859-Q863 WeakPolarHBondContact O-CG 3.49Å; A859-Q863 PolarHBondContact O-N 3.13Å; A859-Q863 VanDerWaalsContact O-N 3.14Å
860	V	71	Confident	70.5	Confident	57 Å²	57	113.6 Å²	113.6	35%	0.345	56%	0.561	S	S	.	*	H	α-helix	trans	-64.4	-36.4	179	172.7	0	0	0	0	111.6	Q856 Q863 R864	Q856-V860 WeakPolarHBondContact O-CG2 3.14Å; Q856-V860 PolarHBondContact O-N 2.98Å; V860-Q863 PolarHBondContact O-N 3.4Å; V860-R864 PolarHBondContact O-N 2.87Å
861	S	64.6	Low	68.8	Low	71 Å²	71	111.2 Å²	111.2	50%	0.497	56%	0.561	S	S	.	*	H	α-helix	trans	-63.4	-43.6	178.9	-56.7	0	0	0	0	111.7	F857 S858 A859 R864 A865	F857-S861 WeakPolarHBondContact O-CB 3.43Å; F857-S861 PolarHBondContact O-N 3.49Å; F857-S861 VanDerWaalsContact O-N 3.17Å; F857-S861 PolarHBondContact O-OG 2.55Å; S858-S861 PolarHBondContact O-N 3.32Å; A859-S861 VanDerWaalsContact C-N 3.3Å; A859-S861 PolarHBondContact O-N 3.32Å; S861-R864 PolarHBondContact O-N 2.99Å; S861-A865 PolarHBondContact O-N 3.36Å
862	I	69.4	Low	67	Low	125 Å²	125	109.1 Å²	109.1	64%	0.641	56%	0.56	S	S	*	*	H	α-helix	trans	-63.2	-43.9	175.7	-65.2	167.5	0	0	0	110.9	S858 A859 R864 A865 Y866	S858-I862 WeakPolarHBondContact O-CG1 3.4Å; S858-I862 PolarHBondContact O-N 3.37Å; A859-I862 PolarHBondContact O-N 2.84Å; I862-R864 VanDerWaalsContact C-N 3.32Å; I862-R864 PolarHBondContact O-N 2.91Å; I862-A865 PolarHBondContact O-N 2.97Å; I862-Y866 PolarHBondContact O-N 3.43Å
863	Q	65	Low	65.3	Low	100 Å²	100	108.4 Å²	108.4	47%	0.467	56%	0.56	S	S	.	*	H	α-helix	trans	-66.5	-30.4	-178.6	-70.6	176.2	-1	0	0	113.6	A859 V860 R867	A859-Q863 WeakPolarHBondContact O-CG 3.49Å; A859-Q863 PolarHBondContact O-N 3.13Å; A859-Q863 VanDerWaalsContact O-N 3.14Å; V860-Q863 PolarHBondContact O-N 3.4Å; Q863-R867 PolarHBondContact O-N 3.35Å
864	R	57.2	Low	63.5	Low	192 Å²	192	108 Å²	108	73%	0.725	57%	0.566	S	S	*	*	H	α-helix	trans	-69.5	-41.6	175.7	-83.3	-176.4	174	179.1	-1.8	112.2	V860 S861 I862 Y866 R867	V860-R864 PolarHBondContact O-N 2.87Å; S861-R864 PolarHBondContact O-N 2.99Å; I862-R864 VanDerWaalsContact C-N 3.32Å; I862-R864 PolarHBondContact O-N 2.91Å; R864-Y866 VanDerWaalsContact C-N 3.32Å; R864-Y866 PolarHBondContact O-N 2.92Å; R864-R867 PolarHBondContact O-N 2.97Å
865	A	61.8	Low	62.1	Low	71 Å²	71	108.3 Å²	108.3	59%	0.587	57%	0.567	S	S	*	*	H	α-helix	trans	-61.1	-41.8	177.7	0	0	0	0	0	111.7	S861 I862 R867	S861-A865 PolarHBondContact O-N 3.36Å; I862-A865 PolarHBondContact O-N 2.97Å; A865-R867 PolarHBondContact O-N 3Å
866	Y	55.6	Low	61	Low	170 Å²	170	106.7 Å²	106.7	67%	0.667	56%	0.558	S	S	*	*	H	α-helix	trans	-64.3	-39.4	-179.6	-172.9	-101.1	0	0	0	113.5	I862 R864 S868	I862-Y866 PolarHBondContact O-N 3.43Å; R864-Y866 VanDerWaalsContact C-N 3.32Å; R864-Y866 PolarHBondContact O-N 2.92Å; Y866-S868 PolarHBondContact O-N 3.29Å
867	R	51.8	Low	59.9	Low	173 Å²	173	106.1 Å²	106.1	65%	0.653	56%	0.557	S	S	*	*	H	α-helix	trans	-73.3	-24.8	-176.5	-70.9	-177.2	179.1	117.2	-1.4	114.1	Q863 R864 A865	Q863-R867 PolarHBondContact O-N 3.35Å; R864-R867 PolarHBondContact O-N 2.97Å; A865-R867 PolarHBondContact O-N 3Å
868	S	54.6	Low	58.8	Low	87 Å²	87	104.5 Å²	104.5	61%	0.608	55%	0.552	S	S	*	*	H	α-helix	trans	-74.3	-28.6	179.7	-166	0	0	0	0	112.9	Y866 N870	Y866-S868 PolarHBondContact O-N 3.29Å; S868-N870 VanDerWaalsContact C-N 3.35Å; S868-N870 PolarHBondContact O-N 2.87Å
869	S	53	Low	58.2	Low	72 Å²	72	108.8 Å²	108.8	50%	0.503	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.4	-18.6	-174.5	-169.1	0	0	0	0	114.2
870	N	50.7	Low	57.7	Low	105 Å²	105	114.7 Å²	114.7	56%	0.561	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-17.6	-173.8	-87.7	-7.7	0	0	0	114.7	S868	S868-N870 VanDerWaalsContact C-N 3.35Å; S868-N870 PolarHBondContact O-N 2.87Å
871	L	50.6	Low	57.4	Low	138 Å²	138	115.9 Å²	115.9	72%	0.723	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-27.5	-177	-128.7	89.6	0	0	0	113.1
872	E	51.7	Low	57.4	Low	142 Å²	142	121.8 Å²	121.8	66%	0.664	59%	0.594	S	S	*	*	H	α-helix	trans	-80.7	-26.8	-171.1	-146.3	157.6	-164.6	0	0	112.5
873	N	49	Very low	57.3	Low	93 Å²	93	118.7 Å²	118.7	50%	0.497	59%	0.588	S	S	.	*	H	α-helix	trans	-76.4	-27.5	-176.3	-68.6	-22.1	0	0	0	113.9
874	A	51.5	Low	57.5	Low	55 Å²	55	121 Å²	121	46%	0.455	59%	0.593	S	S	.	*	H	α-helix	trans	-78.4	-32.7	-174.5	0	0	0	0	0	114.2
875	I	56.1	Low	58.1	Low	120 Å²	120	117 Å²	117	62%	0.615	59%	0.585	S	S	*	*	H	α-helix	trans	-73.4	-30.3	-174.5	-65.1	171.5	0	0	0	111.6
876	I	59.4	Low	58.4	Low	93 Å²	93	116.8 Å²	116.8	48%	0.477	58%	0.583	S	S	.	*	H	α-helix	trans	-71.8	-40.3	-177.5	-63.5	174.5	0	0	0	111.1	Q878 K879 Y880	I876-Q878 PolarHBondContact O-N 3.12Å; I876-K879 PolarHBondContact O-N 2.91Å; I876-Y880 HydrophobicContact CG2-CD2 4.18Å; I876-Y880 HydrophobicContact CG2-CE2 3.91Å; I876-Y880 VanDerWaalsContact O-CD2 3.31Å; I876-Y880 WeakPolarHBondContact O-CD2 3.43Å
877	I	57.7	Low	59.1	Low	94 Å²	94	116.1 Å²	116.1	48%	0.482	58%	0.579	S	S	.	*	H	α-helix	trans	-64.3	-41.8	-174.8	-62.2	172.5	0	0	0	111.4	K879 Y880	I877-K879 VanDerWaalsContact C-N 3.33Å; I877-K879 PolarHBondContact O-N 2.56Å; I877-Y880 PolarHBondContact O-N 2.79Å
878	Q	53.3	Low	60.2	Low	123 Å²	123	115.7 Å²	115.7	58%	0.575	58%	0.578	S	S	*	*	H	α-helix	trans	-68	-28.7	-175.5	-64.7	-179.4	-10.2	0	0	113.7	I876	I876-Q878 PolarHBondContact O-N 3.12Å
879	K	64.5	Low	60.9	Low	162 Å²	162	119.5 Å²	119.5	70%	0.704	58%	0.583	S	S	*	*	H	α-helix	trans	-70	-39.2	178.6	-177.9	-179.7	176.2	-179.2	0	112.5	I876 I877	I876-K879 PolarHBondContact O-N 2.91Å; I877-K879 VanDerWaalsContact C-N 3.33Å; I877-K879 PolarHBondContact O-N 2.56Å
880	Y	63.3	Low	61.9	Low	165 Å²	165	121.4 Å²	121.4	65%	0.647	58%	0.583	S	S	*	*	H	α-helix	trans	-77.4	-35.8	-174.8	-78.3	-76.4	0	0	0	113.5	I876 I877 R882 A883 W884	I876-Y880 HydrophobicContact CG2-CD2 4.18Å; I876-Y880 HydrophobicContact CG2-CE2 3.91Å; I876-Y880 VanDerWaalsContact O-CD2 3.31Å; I876-Y880 WeakPolarHBondContact O-CD2 3.43Å; I877-Y880 PolarHBondContact O-N 2.79Å; Y880-R882 PolarHBondContact O-N 3.42Å; Y880-A883 PolarHBondContact O-N 2.96Å; Y880-W884 PolarHBondContact O-N 3.02Å; Y880-W884 VanDerWaalsContact O-N 3.17Å
881	V	65.1	Low	62.9	Low	82 Å²	82	118.9 Å²	118.9	50%	0.497	57%	0.569	S	S	.	*	H	α-helix	trans	-64.2	-40.6	180	175.9	0	0	0	0	111.7	A883 W884 L885	V881-A883 VanDerWaalsContact C-N 3.33Å; V881-A883 PolarHBondContact O-N 2.64Å; V881-W884 PolarHBondContact O-N 2.9Å; V881-L885 HydrophobicContact CG1-CD1 4.49Å; V881-L885 PolarHBondContact O-N 3.41Å
882	R	63.3	Low	63.8	Low	195 Å²	195	116.3 Å²	116.3	74%	0.736	56%	0.562	S	S	*	*	H	α-helix	trans	-63.9	-35.7	178.5	-69.2	179.3	179.7	169.4	1.8	112.6	Y880	Y880-R882 PolarHBondContact O-N 3.42Å
883	A	68.2	Low	64.8	Low	61 Å²	61	117.2 Å²	117.2	50%	0.504	56%	0.564	S	S	.	*	H	α-helix	trans	-73.9	-35.5	177.7	0	0	0	0	0	112.9	Y880 V881 R887	Y880-A883 PolarHBondContact O-N 2.96Å; V881-A883 VanDerWaalsContact C-N 3.33Å; V881-A883 PolarHBondContact O-N 2.64Å; A883-R887 WeakPolarHBondContact O-CB 3.3Å; A883-R887 PolarHBondContact O-N 2.79Å; A883-R887 VanDerWaalsContact O-N 3.17Å
884	W	70.1	Confident	65.9	Low	149 Å²	149	118.6 Å²	118.6	56%	0.564	56%	0.563	S	S	*	*	H	α-helix	trans	-66.9	-43.3	-178.1	-179.7	83.3	0	0	0	113	Y880 V881 A886 R887 R888	Y880-W884 PolarHBondContact O-N 3.02Å; Y880-W884 VanDerWaalsContact O-N 3.17Å; V881-W884 PolarHBondContact O-N 2.9Å; W884-A886 PolarHBondContact O-N 3.25Å; W884-R887 PolarHBondContact O-N 2.8Å; W884-R888 PolarHBondContact O-N 3.01Å
885	L	69.6	Low	66.6	Low	107 Å²	107	124.8 Å²	124.8	56%	0.56	57%	0.574	S	S	*	*	H	α-helix	trans	-61.7	-42.6	178.3	-79.4	164.4	0	0	0	112.6	V881 K889	V881-L885 HydrophobicContact CG1-CD1 4.49Å; V881-L885 PolarHBondContact O-N 3.41Å; L885-K889 PolarHBondContact O-N 3.09Å
886	A	66.6	Low	67	Low	67 Å²	67	122.1 Å²	122.1	55%	0.554	57%	0.57	S	S	*	*	H	α-helix	trans	-66.1	-40	177.2	0	0	0	0	0	112.1	W884 F890	W884-A886 PolarHBondContact O-N 3.25Å; A886-F890 PolarHBondContact O-N 3.06Å
887	R	71.6	Confident	67.1	Low	155 Å²	155	119.8 Å²	119.8	59%	0.585	57%	0.565	S	S	*	*	H	α-helix	trans	-66.5	-41.1	179.3	-164.6	81.2	173.2	-173.6	-1.9	112.1	A883 W884 K889 F890 L891	A883-R887 WeakPolarHBondContact O-CB 3.3Å; A883-R887 PolarHBondContact O-N 2.79Å; A883-R887 VanDerWaalsContact O-N 3.17Å; W884-R887 PolarHBondContact O-N 2.8Å; R887-K889 VanDerWaalsContact C-N 3.35Å; R887-K889 PolarHBondContact O-N 3.11Å; R887-F890 PolarHBondContact O-N 3.14Å; R887-L891 HydrophobicContact CG-CD1 3.92Å; R887-L891 HydrophobicContact CG-CG 4.35Å; R887-L891 WeakPolarHBondContact O-CB 3.44Å; R887-L891 VanDerWaalsContact O-CG 3.27Å; R887-L891 WeakPolarHBondContact O-CG 3.39Å; R887-L891 PolarHBondContact O-N 3.07Å
888	R	73.7	Confident	67.3	Low	165 Å²	165	118 Å²	118	62%	0.623	56%	0.556	S	S	*	*	H	α-helix	trans	-61.5	-41.6	179.6	-174.8	174.1	162	172.1	-5.1	112	W884 L891 S892	W884-R888 PolarHBondContact O-N 3.01Å; R888-L891 PolarHBondContact O-N 3.16Å; R888-S892 PolarHBondContact O-N 3.37Å
889	K	70.3	Confident	67.5	Low	167 Å²	167	116.4 Å²	116.4	73%	0.726	56%	0.558	S	S	*	*	H	α-helix	trans	-65.1	-38.6	177.4	-145.2	172	-171.7	175.5	0	112.1	L885 R887	L885-K889 PolarHBondContact O-N 3.09Å; R887-K889 VanDerWaalsContact C-N 3.35Å; R887-K889 PolarHBondContact O-N 3.11Å
890	F	73.9	Confident	67.1	Low	111 Å²	111	114.7 Å²	114.7	49%	0.487	56%	0.555	S	S	.	*	H	α-helix	trans	-68.6	-43.5	175	173.9	-103.6	0	0	0	112.9	A886 R887 S892 K893 R894	A886-F890 PolarHBondContact O-N 3.06Å; R887-F890 PolarHBondContact O-N 3.14Å; F890-S892 VanDerWaalsContact C-N 3.33Å; F890-S892 PolarHBondContact O-N 3.43Å; F890-K893 PolarHBondContact O-N 3.29Å; F890-R894 PolarHBondContact O-N 3.16Å
891	L	71.4	Confident	66.6	Low	52 Å²	52	110.5 Å²	110.5	27%	0.272	54%	0.542	S	S	.	.	H	α-helix	trans	-66.3	-33.4	-177.3	-72	170.8	0	0	0	112.7	R887 R888 R894 R895	R887-L891 HydrophobicContact CG-CD1 3.92Å; R887-L891 HydrophobicContact CG-CG 4.35Å; R887-L891 WeakPolarHBondContact O-CB 3.44Å; R887-L891 VanDerWaalsContact O-CG 3.27Å; R887-L891 WeakPolarHBondContact O-CG 3.39Å; R887-L891 PolarHBondContact O-N 3.07Å; R888-L891 PolarHBondContact O-N 3.16Å; L891-R894 PolarHBondContact O-N 2.9Å; L891-R895 WeakPolarHBondContact O-CG 3.43Å; L891-R895 PolarHBondContact O-N 3.41Å
892	S	69.9	Low	66.1	Low	84 Å²	84	109.5 Å²	109.5	59%	0.587	54%	0.538	S	S	*	.	H	α-helix	trans	-62.3	-44	173.1	-164.3	0	0	0	0	112.1	R888 F890 R894 R895	R888-S892 PolarHBondContact O-N 3.37Å; F890-S892 VanDerWaalsContact C-N 3.33Å; F890-S892 PolarHBondContact O-N 3.43Å; S892-R894 VanDerWaalsContact C-N 3.34Å; S892-R895 PolarHBondContact O-N 2.97Å
893	K	73.3	Confident	65.7	Low	161 Å²	161	103.6 Å²	103.6	70%	0.7	53%	0.531	S	S	*	.	H	α-helix	trans	-66.1	-36.7	176.4	-69	-172.8	174.7	-170.8	0	112	F890 A897	F890-K893 PolarHBondContact O-N 3.29Å; K893-A897 PolarHBondContact O-N 3.29Å
894	R	70.5	Confident	64.8	Low	123 Å²	123	105 Å²	105	46%	0.464	53%	0.533	S	S	.	.	H	α-helix	trans	-67.8	-39.3	177.9	-154	-179.6	93.1	174.9	7.2	112.6	F890 L891 S892 A896 A897 I898	F890-R894 PolarHBondContact O-N 3.16Å; L891-R894 PolarHBondContact O-N 2.9Å; S892-R894 VanDerWaalsContact C-N 3.34Å; R894-A896 VanDerWaalsContact C-N 3.33Å; R894-A896 PolarHBondContact O-N 3.39Å; R894-A897 PolarHBondContact O-N 3.22Å; R894-I898 HydrophobicContact CG-CD1 3.71Å; R894-I898 HydrophobicContact CG-CG1 4.31Å; R894-I898 WeakPolarHBondContact O-CB 3.4Å; R894-I898 WeakPolarHBondContact O-CG1 3.49Å; R894-I898 PolarHBondContact O-N 2.88Å
895	R	66.9	Low	64	Low	184 Å²	184	105.1 Å²	105.1	69%	0.694	53%	0.533	S	S	*	.	H	α-helix	trans	-61.4	-40.3	178.7	-74.5	174.2	-166.4	179.5	2.1	112.2	L891 S892 I898 S899	L891-R895 WeakPolarHBondContact O-CG 3.43Å; L891-R895 PolarHBondContact O-N 3.41Å; S892-R895 PolarHBondContact O-N 2.97Å; R895-I898 PolarHBondContact O-N 3.49Å; R895-S899 PolarHBondContact O-N 2.94Å; R895-S899 VanDerWaalsContact O-N 3.12Å
896	A	63.9	Low	63.3	Low	64 Å²	64	110.1 Å²	110.1	53%	0.529	55%	0.545	S	S	.	.	H	α-helix	trans	-63.1	-44.2	175.3	0	0	0	0	0	112.5	R894 I898	R894-A896 VanDerWaalsContact C-N 3.33Å; R894-A896 PolarHBondContact O-N 3.39Å; A896-I898 VanDerWaalsContact C-N 3.34Å; A896-I898 PolarHBondContact O-N 2.92Å
897	A	63	Low	62.3	Low	45 Å²	45	116.8 Å²	116.8	37%	0.372	56%	0.555	S	S	.	*	H	α-helix	trans	-68.1	-33.2	177	0	0	0	0	0	112.9	K893 R894 I900 Q901	K893-A897 PolarHBondContact O-N 3.29Å; R894-A897 PolarHBondContact O-N 3.22Å; A897-I900 PolarHBondContact O-N 2.95Å; A897-Q901 WeakPolarHBondContact O-CG 3.34Å; A897-Q901 PolarHBondContact O-N 3.29Å; A897-Q901 VanDerWaalsContact O-N 3.15Å
898	I	61.5	Low	61	Low	56 Å²	56	115 Å²	115	29%	0.287	56%	0.557	S	S	.	*	H	α-helix	trans	-74.7	-36.1	-178.3	-71.9	171.8	0	0	0	111.6	R894 R895 A896 I900 Q901 C902	R894-I898 HydrophobicContact CG-CD1 3.71Å; R894-I898 HydrophobicContact CG-CG1 4.31Å; R894-I898 WeakPolarHBondContact O-CB 3.4Å; R894-I898 WeakPolarHBondContact O-CG1 3.49Å; R894-I898 PolarHBondContact O-N 2.88Å; R895-I898 PolarHBondContact O-N 3.49Å; A896-I898 VanDerWaalsContact C-N 3.34Å; A896-I898 PolarHBondContact O-N 2.92Å; I898-I900 PolarHBondContact O-N 3.32Å; I898-Q901 CarbonylContact O-C 3.54Å; I898-Q901 PolarHBondContact O-N 2.83Å; I898-Q901 VanDerWaalsContact O-N 3.1Å; I898-C902 VanDerWaalsContact CG2-SG 3.52Å; I898-C902 VanDerWaalsContact O-CB 3.26Å; I898-C902 WeakPolarHBondContact O-CB 3.46Å; I898-C902 PolarHBondContact O-N 3.17Å; I898-C902 PolarHBondContact O-SG 3.17Å
899	S	57.7	Low	59.5	Low	90 Å²	90	109.4 Å²	109.4	63%	0.629	55%	0.546	S	S	*	.	H	α-helix	trans	-57.2	-38.5	173.3	-74.9	0	0	0	0	112.5	R895 A903	R895-S899 PolarHBondContact O-N 2.94Å; R895-S899 VanDerWaalsContact O-N 3.12Å; S899-A903 PolarHBondContact O-N 3.02Å
900	I	55.6	Low	58.6	Low	125 Å²	125	110 Å²	110	64%	0.641	55%	0.551	S	S	*	*	H	α-helix	trans	-66.7	-44.8	175.9	-61.3	169.7	0	0	0	110.4	A897 I898	A897-I900 PolarHBondContact O-N 2.95Å; I898-I900 PolarHBondContact O-N 3.32Å
901	Q	53.6	Low	57	Low	77 Å²	77	113.7 Å²	113.7	36%	0.36	57%	0.567	S	S	.	*	H	α-helix	trans	-71.7	-29.3	178.6	-68.8	176.1	-5.8	0	0	113.4	A897 I898 A903 V904 R905	A897-Q901 WeakPolarHBondContact O-CG 3.34Å; A897-Q901 PolarHBondContact O-N 3.29Å; A897-Q901 VanDerWaalsContact O-N 3.15Å; I898-Q901 CarbonylContact O-C 3.54Å; I898-Q901 PolarHBondContact O-N 2.83Å; I898-Q901 VanDerWaalsContact O-N 3.1Å; Q901-A903 VanDerWaalsContact C-N 3.32Å; Q901-V904 PolarHBondContact O-N 2.73Å; Q901-R905 WeakPolarHBondContact O-CB 3.38Å; Q901-R905 WeakPolarHBondContact O-CG 3.33Å; Q901-R905 PolarHBondContact O-N 3.07Å
902	C	53.8	Low	55.2	Low	62 Å²	62	118.9 Å²	118.9	42%	0.419	60%	0.595	S	S	.	*	H	α-helix	trans	-68	-33.1	178.7	-79.7	0	0	0	0	111.2	I898 V904 R906	I898-C902 VanDerWaalsContact CG2-SG 3.52Å; I898-C902 VanDerWaalsContact O-CB 3.26Å; I898-C902 WeakPolarHBondContact O-CB 3.46Å; I898-C902 PolarHBondContact O-N 3.17Å; I898-C902 PolarHBondContact O-SG 3.17Å; C902-V904 VanDerWaalsContact C-N 3.32Å; C902-R906 WeakPolarHBondContact O-CB 3.46Å; C902-R906 PolarHBondContact O-N 2.92Å
903	A	55.1	Low	53.4	Low	71 Å²	71	118.7 Å²	118.7	59%	0.587	59%	0.594	S	S	*	*	H	α-helix	trans	-62.3	-40.4	169.9	0	0	0	0	0	111.9	S899 Q901	S899-A903 PolarHBondContact O-N 3.02Å; Q901-A903 VanDerWaalsContact C-N 3.32Å
904	V	49	Very low	51.8	Low	90 Å²	90	117.3 Å²	117.3	55%	0.545	60%	0.599	S	S	.	*	H	α-helix	trans	-78.4	-32.3	-177.8	179.7	0	0	0	0	112.7	Q901 C902 W907	Q901-V904 PolarHBondContact O-N 2.73Å; C902-V904 VanDerWaalsContact C-N 3.32Å; V904-W907 WeakPolarHBondContact O-CB 3.4Å; V904-W907 PolarHBondContact O-N 2.98Å
905	R	54	Low	50.1	Low	151 Å²	151	118.6 Å²	118.6	57%	0.57	61%	0.613	S	S	*	*	H	α-helix	trans	-86.3	-27.2	-178.5	-69.6	178.8	-177	135.3	4.3	113	Q901 W907 L908 A909	Q901-R905 WeakPolarHBondContact O-CB 3.38Å; Q901-R905 WeakPolarHBondContact O-CG 3.33Å; Q901-R905 PolarHBondContact O-N 3.07Å; R905-W907 PolarHBondContact O-N 2.91Å; R905-L908 CarbonylContact O-C 3.54Å; R905-L908 PolarHBondContact O-N 3.41Å; R905-L908 VanDerWaalsContact O-N 3.16Å; R905-A909 PolarHBondContact O-N 3.35Å; R905-A909 VanDerWaalsContact O-N 3.08Å
906	R	53.1	Low	48.4	Very low	213 Å²	213	118 Å²	118	80%	0.804	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-10.6	166.6	-141.7	-178.3	-162	128.6	-0.6	112.6	C902 A909	C902-R906 WeakPolarHBondContact O-CB 3.46Å; C902-R906 PolarHBondContact O-N 2.92Å; R906-A909 WeakPolarHBondContact O-CA 3.3Å; R906-A909 WeakPolarHBondContact O-CB 3.28Å
907	W	45.6	Very low	46.8	Very low	206 Å²	206	123.2 Å²	123.2	78%	0.78	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-27.9	171.8	174.6	84.1	0	0	0	112.8	V904 R905 A909	V904-W907 WeakPolarHBondContact O-CB 3.4Å; V904-W907 PolarHBondContact O-N 2.98Å; R905-W907 PolarHBondContact O-N 2.91Å; W907-A909 PolarHBondContact O-N 3.37Å
908	L	44.4	Very low	45	Very low	119 Å²	119	130.3 Å²	130.3	62%	0.623	65%	0.652	S	S	*	*	S	Bend	trans	-78.2	-5.1	160.9	-76	165.5	0	0	0	112.7	R905 Q910	R905-L908 CarbonylContact O-C 3.54Å; R905-L908 PolarHBondContact O-N 3.41Å; R905-L908 VanDerWaalsContact O-N 3.16Å; L908-Q910 PolarHBondContact O-N 3.03Å
909	A	43.2	Very low	43.4	Very low	47 Å²	47	135.4 Å²	135.4	39%	0.388	68%	0.678	S	S	.	*	T	Hydrogen-bonded Turn	trans	27.1	-77.6	146.3	0	0	0	0	0	115.4	R905 R906 W907	R905-A909 PolarHBondContact O-N 3.35Å; R905-A909 VanDerWaalsContact O-N 3.08Å; R906-A909 WeakPolarHBondContact O-CA 3.3Å; R906-A909 WeakPolarHBondContact O-CB 3.28Å; W907-A909 PolarHBondContact O-N 3.37Å
910	Q	50.6	Low	42.4	Very low	180 Å²	180	134.3 Å²	134.3	84%	0.841	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.2	6.2	-142.8	-84.9	153.5	-49.6	0	0	109.6	L908	L908-Q910 PolarHBondContact O-N 3.03Å
911	K	40.7	Very low	41.5	Very low	187 Å²	187	135 Å²	135	81%	0.813	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-17.8	-178.3	-146.6	176.9	-179.1	-179.6	0	114.2
912	N	33.6	Very low	40.5	Very low	162 Å²	162	140.5 Å²	140.5	87%	0.866	70%	0.696	S	S	*	*	S	Bend	trans	-131.5	81.9	166.8	-83.2	-20.6	0	0	0	110.2
913	S	32.9	Very low	39.7	Very low	79 Å²	79	141.1 Å²	141.1	55%	0.552	71%	0.713	S	S	*	*			trans	14.4	121.6	139.4	-153.6	0	0	0	0	116.9	I915	S913-I915 PolarHBondContact O-N 2.8Å
914	T	40	Very low	38.4	Very low	133 Å²	133	144.1 Å²	144.1	82%	0.816	72%	0.719	S	S	*	*	S	Bend		57.9	20.9	88.6	-13.2	0	0	0	0	115.2
915	I	34.7	Very low	37.7	Very low	149 Å²	149	148.9 Å²	148.9	76%	0.764	74%	0.735	S	S	*	*			trans	-139	66.7	159	-48.8	177.9	0	0	0	110.2	S913	S913-I915 PolarHBondContact O-N 2.8Å
916	L	29.6	Very low	37	Very low	172 Å²	172	149.7 Å²	149.7	90%	0.901	74%	0.743	S	S	*	*			trans	-168.8	72.1	137.6	-137.3	86.4	0	0	0	110.9
917	F	30.6	Very low	36.2	Very low	174 Å²	174	147.6 Å²	147.6	76%	0.763	74%	0.739	S	S	*	*			trans	-103.7	-0.9	176.3	158.6	-112.5	0	0	0	111.6
918	W	25.5	Very low	35.8	Very low	193 Å²	193	144.4 Å²	144.4	73%	0.731	74%	0.742	S	S	*	*			trans	-123.9	19	-160.6	-105.2	105.6	0	0	0	119.2	V920	W918-V920 HydrophobicContact CE3-CG2 3.78Å; W918-V920 HydrophobicContact CZ3-CG2 4.05Å; W918-V920 WeakPolarHBondContact O-CG2 3.37Å
919	L	28.7	Very low	35.4	Very low	163 Å²	163	146.4 Å²	146.4	85%	0.853	75%	0.752	S	S	*	*	S	Bend	trans	-128.2	77.5	152.6	-95.7	143.5	0	0	0	107.1
920	V	35.8	Very low	35	Very low	68 Å²	68	150.9 Å²	150.9	41%	0.412	77%	0.765	S	S	.	*				55	92.7	84	-177.6	0	0	0	0	106.2	W918 F922	W918-V920 HydrophobicContact CE3-CG2 3.78Å; W918-V920 HydrophobicContact CZ3-CG2 4.05Å; W918-V920 WeakPolarHBondContact O-CG2 3.37Å; V920-F922 HydrophobicContact CG1-CB 4.46Å
921	N	36.1	Very low	34.3	Very low	140 Å²	140	147.6 Å²	147.6	75%	0.749	75%	0.752	S	S	*	*				55.5	159.4	81.2	-62.7	-42.9	0	0	0	111.4	G923	N921-G923 PolarHBondContact O-N 2.88Å
922	F	32.7	Very low	34.4	Very low	191 Å²	191	145.6 Å²	145.6	84%	0.838	75%	0.745	S	S	*	*			trans	79.1	7.8	157.8	-94.9	-93.2	0	0	0	119.1	V920 L924	V920-F922 HydrophobicContact CG1-CB 4.46Å; F922-L924 VanDerWaalsContact C-N 3.3Å; F922-L924 PolarHBondContact O-N 2.8Å
923	G	36.7	Very low	34.4	Very low	75 Å²	75	146 Å²	146	77%	0.773	74%	0.742	S	S	*	*	S	Bend	trans	-88.9	46.9	166.5	0	0	0	0	0	115.1	N921	N921-G923 PolarHBondContact O-N 2.88Å
924	L	29	Very low	34.6	Very low	135 Å²	135	147.9 Å²	147.9	71%	0.707	74%	0.74	S	S	*	*			trans	81.3	85.3	149.3	-55	170.5	0	0	0	119.3	F922 K926	F922-L924 VanDerWaalsContact C-N 3.3Å; F922-L924 PolarHBondContact O-N 2.8Å; L924-K926 HydrophobicContact CB-CB 4.3Å; L924-K926 HydrophobicContact CD2-CB 4.17Å; L924-K926 PolarHBondContact O-N 3.45Å
925	E	34.5	Very low	34.3	Very low	190 Å²	190	147.7 Å²	147.7	89%	0.888	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn		-41.8	34.9	126.3	-66.6	178.4	135.4	0	0	116.6
926	K	38.2	Very low	34	Very low	168 Å²	168	146.1 Å²	146.1	73%	0.73	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.4	14.1	-179.2	-129.5	-175.9	-178.6	-176.8	0	117.7	L924	L924-K926 HydrophobicContact CB-CB 4.3Å; L924-K926 HydrophobicContact CD2-CB 4.17Å; L924-K926 PolarHBondContact O-N 3.45Å
927	K	36.8	Very low	34	Very low	169 Å²	169	144.3 Å²	144.3	74%	0.735	72%	0.723	S	S	*	*	S	Bend	trans	-115.3	13.3	171.2	-103.2	170.8	179	171.1	0	115
928	V	37.4	Very low	33.9	Very low	139 Å²	139	139.6 Å²	139.6	84%	0.842	72%	0.715	S	S	*	*	S	Bend	trans	-101.2	-11.4	-177.9	174.5	0	0	0	0	112.7
929	I	36.9	Very low	34.1	Very low	161 Å²	161	136.4 Å²	136.4	83%	0.826	72%	0.717	S	S	*	*	S	Bend	trans	-96.1	-19.2	174.9	-63.6	174.9	0	0	0	112
930	E	33.3	Very low	34	Very low	140 Å²	140	134 Å²	134	65%	0.654	71%	0.714	S	S	*	*	S	Bend	trans	-112.4	99.5	-179.8	-172.9	-175.7	-148.4	0	0	107.4
931	L	37	Very low	33.7	Very low	112 Å²	112	138.4 Å²	138.4	59%	0.586	73%	0.734	S	S	*	*	S	Bend	trans	156.9	-0.3	157.6	-86.5	172.7	0	0	0	113.3	K934	L931-K934 HydrophobicContact CD2-CD 4.02Å; L931-K934 VanDerWaalsContact CD2-CE 3.48Å; L931-K934 WeakPolarHBondContact O-CB 3.42Å; L931-K934 WeakPolarHBondContact O-CG 3.34Å
932	H	42.5	Very low	33.3	Very low	144 Å²	144	139.1 Å²	139.1	67%	0.667	74%	0.738	S	S	*	*			trans	-124.8	25.5	172.4	-133.8	60.2	0	0	0	116.3
933	E	32.7	Very low	33.1	Very low	170 Å²	170	136.6 Å²	136.6	79%	0.794	73%	0.733	S	S	*	*			trans	-72.3	8.3	135.1	-153.1	172	-173.4	0	0	111.9	L935 T936	E933-L935 PolarHBondContact O-N 3.26Å; E933-T936 PolarHBondContact O-OG1 3.23Å
934	K	37.8	Very low	32.7	Very low	119 Å²	119	140.5 Å²	140.5	52%	0.517	74%	0.737	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.8	17	163.3	-71.4	-172.8	170	-177.4	0	113.6	L931	L931-K934 HydrophobicContact CD2-CD 4.02Å; L931-K934 VanDerWaalsContact CD2-CE 3.48Å; L931-K934 WeakPolarHBondContact O-CB 3.42Å; L931-K934 WeakPolarHBondContact O-CG 3.34Å
935	L	34.4	Very low	32.6	Very low	129 Å²	129	146 Å²	146	68%	0.675	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-7.8	173.9	-166.9	61.7	0	0	0	112.2	E933	E933-L935 PolarHBondContact O-N 3.26Å
936	T	28.2	Very low	32.1	Very low	117 Å²	117	140.8 Å²	140.8	72%	0.718	75%	0.745	S	S	*	*	S	Bend	trans	-90.7	-0.1	175.2	26.3	0	0	0	0	114.9	E933 A938	E933-T936 PolarHBondContact O-OG1 3.23Å; T936-A938 VanDerWaalsContact C-N 3.3Å; T936-A938 PolarHBondContact O-N 3.35Å
937	D	30.1	Very low	31.7	Very low	134 Å²	134	138.2 Å²	138.2	72%	0.717	75%	0.748	S	S	*	*			trans	-91.9	14.1	175.7	-78.5	-20.8	0	0	0	113.6
938	A	28.3	Very low	31.1	Very low	74 Å²	74	138.1 Å²	138.1	61%	0.612	76%	0.755	S	S	*	*	S	Bend	trans	-95.3	98.3	168.5	0	0	0	0	0	110.1	T936	T936-A938 VanDerWaalsContact C-N 3.3Å; T936-A938 PolarHBondContact O-N 3.35Å
939	V	28.9	Very low	30.6	Very low	127 Å²	127	140 Å²	140	77%	0.77	75%	0.752	S	S	*	*			trans	84.1	69.1	144	-163.7	0	0	0	0	115.6
940	S	26.4	Very low	30.2	Very low	112 Å²	112	143.1 Å²	143.1	78%	0.783	76%	0.755	S	S	*	*				-74.4	123.7	121.7	58.6	0	0	0	0	108.3
941	L	29.8	Very low	30.1	Very low	161 Å²	161	139.9 Å²	139.9	84%	0.843	76%	0.759	S	S	*	*			trans	172.5	94.2	149.4	-92.2	160.4	0	0	0	109
942	N	28.4	Very low	30.3	Very low	154 Å²	154	138.8 Å²	138.8	82%	0.824	76%	0.761	S	S	*	*			trans	-140.1	114.3	158.8	-105.7	5.5	0	0	0	108.4
943	D	28.5	Very low	30.1	Very low	138 Å²	138	135.5 Å²	135.5	74%	0.738	76%	0.759	S	S	*	*			trans	35.8	119.3	136.4	-63.2	-16.2	0	0	0	121.2
944	D	28.5	Very low	30.3	Very low	158 Å²	158	133.5 Å²	133.5	85%	0.845	75%	0.753	S	S	*	*				165.8	135.8	88.2	-102.4	-32.6	0	0	0	112.3
945	R	25.9	Very low	30.6	Very low	251 Å²	251	130.1 Å²	130.1	95%	0.947	75%	0.752	S	S	*	*			trans	-124.4	122.2	178.1	-73.6	-178	-178.4	174.3	3.6	109.8
946	G	24.6	Very low	31	Very low	80 Å²	80	129.5 Å²	129.5	83%	0.825	75%	0.748	S	S	*	*			trans	-142.9	110.8	167.7	0	0	0	0	0	110.9
947	S	28.9	Very low	31.5	Very low	113 Å²	113	129.8 Å²	129.8	79%	0.79	74%	0.741	S	S	*	*			trans	-88.1	131.1	-167.6	67.8	0	0	0	0	114.7	F949	S947-F949 PolarHBondContact O-N 2.98Å
948	L	24.9	Very low	32.2	Very low	167 Å²	167	126.4 Å²	126.4	87%	0.874	73%	0.732	S	S	*	*			trans	-60.9	107.8	156.4	-98.5	76.2	0	0	0	111.2
949	F	26.9	Very low	32.9	Very low	178 Å²	178	125.5 Å²	125.5	78%	0.781	72%	0.724	S	S	*	*			trans	-161.4	61.6	161.8	-102.3	-74.1	0	0	0	112	S947	S947-F949 PolarHBondContact O-N 2.98Å
950	Y	28	Very low	33.7	Very low	227 Å²	227	123.5 Å²	123.5	89%	0.89	71%	0.708	S	S	*	*			trans	-139.6	18.4	170.2	-96	-78.5	0	0	0	114.7
951	G	32.1	Very low	34.6	Very low	73 Å²	73	122.2 Å²	122.2	75%	0.753	70%	0.696	S	S	*	*	S	Bend	trans	-98.1	-12.8	-175.2	0	0	0	0	0	117.4
952	S	40.9	Very low	35.3	Very low	89 Å²	89	118.2 Å²	118.2	62%	0.622	68%	0.681	S	S	*	*	S	Bend	trans	-103.9	-13.1	-167.7	55.5	0	0	0	0	115.9
953	A	37.7	Very low	35.8	Very low	74 Å²	74	113.1 Å²	113.1	61%	0.612	66%	0.657	S	S	*	*	S	Bend	trans	-84.8	-37.4	-179.3	0	0	0	0	0	113.2	G955 I956	A953-G955 VanDerWaalsContact C-N 3.31Å; A953-G955 PolarHBondContact O-N 2.97Å; A953-I956 PolarHBondContact O-N 2.73Å
954	L	37.6	Very low	36.6	Very low	129 Å²	129	110 Å²	110	68%	0.675	64%	0.643	S	S	*	*	H	α-helix	trans	-70.1	-22.9	-179.9	-90	117.8	0	0	0	114	A958	L954-A958 WeakPolarHBondContact O-CB 3.32Å; L954-A958 PolarHBondContact O-N 3.47Å
955	G	43.7	Very low	37.4	Very low	48 Å²	48	107.1 Å²	107.1	50%	0.495	63%	0.627	S	S	.	*	H	α-helix	trans	-71.5	-30.9	179.2	0	0	0	0	0	114	A953 A959	A953-G955 VanDerWaalsContact C-N 3.31Å; A953-G955 PolarHBondContact O-N 2.97Å; G955-A959 PolarHBondContact O-N 3.39Å
956	I	41.8	Very low	38.2	Very low	115 Å²	115	104.3 Å²	104.3	59%	0.59	62%	0.617	S	S	*	*	H	α-helix	trans	-79.4	-39.3	-177.4	-60.1	175.8	0	0	0	110.3	A953 A959 I960	A953-I956 PolarHBondContact O-N 2.73Å; I956-A959 PolarHBondContact O-N 2.91Å; I956-I960 HydrophobicContact CG2-CD1 4.14Å; I956-I960 WeakPolarHBondContact O-CG1 3.18Å; I956-I960 PolarHBondContact O-N 3.12Å; I956-I960 VanDerWaalsContact O-N 3.15Å
957	E	40.2	Very low	38.8	Very low	124 Å²	124	104.7 Å²	104.7	58%	0.579	60%	0.599	S	S	*	*	H	α-helix	trans	-63.3	-42.2	173.3	-76.8	-169.9	147	0	0	111.8	A959 I960 V961	E957-A959 VanDerWaalsContact C-N 3.32Å; E957-A959 PolarHBondContact O-N 2.93Å; E957-I960 PolarHBondContact O-N 3.37Å; E957-V961 WeakPolarHBondContact O-CG2 3.33Å; E957-V961 PolarHBondContact O-N 3.32Å
958	A	43.9	Very low	39.4	Very low	63 Å²	63	105.1 Å²	105.1	52%	0.521	59%	0.589	S	S	.	*	H	α-helix	trans	-62	-37.4	177	0	0	0	0	0	112.9	L954 S962	L954-A958 WeakPolarHBondContact O-CB 3.32Å; L954-A958 PolarHBondContact O-N 3.47Å; A958-S962 VanDerWaalsContact O-CB 3.27Å; A958-S962 WeakPolarHBondContact O-CB 3.07Å; A958-S962 PolarHBondContact O-N 3.27Å
959	A	44.1	Very low	40.2	Very low	55 Å²	55	107 Å²	107	46%	0.455	58%	0.584	S	S	.	*	H	α-helix	trans	-69.4	-38.1	177.7	0	0	0	0	0	112.7	G955 I956 E957 S963	G955-A959 PolarHBondContact O-N 3.39Å; I956-A959 PolarHBondContact O-N 2.91Å; E957-A959 VanDerWaalsContact C-N 3.32Å; E957-A959 PolarHBondContact O-N 2.93Å; A959-S963 WeakPolarHBondContact O-CB 3.32Å; A959-S963 PolarHBondContact O-N 2.74Å; A959-S963 PolarHBondContact O-OG 2.95Å
960	I	44.3	Very low	40.8	Very low	85 Å²	85	103.7 Å²	103.7	44%	0.436	57%	0.574	S	S	.	*	H	α-helix	trans	-68.6	-46.5	176.9	-66.1	169.6	0	0	0	110.2	I956 E957 S962 S963 V964	I956-I960 HydrophobicContact CG2-CD1 4.14Å; I956-I960 WeakPolarHBondContact O-CG1 3.18Å; I956-I960 PolarHBondContact O-N 3.12Å; I956-I960 VanDerWaalsContact O-N 3.15Å; E957-I960 PolarHBondContact O-N 3.37Å; I960-S962 PolarHBondContact O-N 2.86Å; I960-S963 WeakPolarHBondContact O-CB 3.4Å; I960-S963 PolarHBondContact O-N 3.21Å; I960-V964 WeakPolarHBondContact O-CG2 3.35Å; I960-V964 PolarHBondContact O-N 3.17Å
961	V	46.4	Very low	41.1	Very low	85 Å²	85	102.1 Å²	102.1	52%	0.515	57%	0.566	S	S	.	*	H	α-helix	trans	-63.3	-42.8	179.3	173.7	0	0	0	0	111.7	E957 S963 V964 L965	E957-V961 WeakPolarHBondContact O-CG2 3.33Å; E957-V961 PolarHBondContact O-N 3.32Å; V961-S963 VanDerWaalsContact C-N 3.29Å; V961-S963 PolarHBondContact O-N 3.26Å; V961-V964 PolarHBondContact O-N 3.22Å; V961-L965 HydrophobicContact CG1-CD1 3.95Å; V961-L965 WeakPolarHBondContact O-CB 3.39Å; V961-L965 WeakPolarHBondContact O-CG 3.37Å; V961-L965 PolarHBondContact O-N 3.1Å
962	S	43.4	Very low	41.4	Very low	77 Å²	77	109.9 Å²	109.9	54%	0.538	57%	0.573	S	S	.	*	H	α-helix	trans	-58.8	-39.8	174.5	177.3	0	0	0	0	112.4	A958 I960 R966	A958-S962 VanDerWaalsContact O-CB 3.27Å; A958-S962 WeakPolarHBondContact O-CB 3.07Å; A958-S962 PolarHBondContact O-N 3.27Å; I960-S962 PolarHBondContact O-N 2.86Å; S962-R966 WeakPolarHBondContact O-CB 3.39Å; S962-R966 PolarHBondContact O-N 3.02Å
963	S	40.3	Very low	41.4	Very low	46 Å²	46	115 Å²	115	32%	0.322	58%	0.584	S	S	.	*	H	α-helix	trans	-70.2	-40	179.6	-56.5	0	0	0	0	112.5	A959 I960 V961 R966 L967	A959-S963 WeakPolarHBondContact O-CB 3.32Å; A959-S963 PolarHBondContact O-N 2.74Å; A959-S963 PolarHBondContact O-OG 2.95Å; I960-S963 WeakPolarHBondContact O-CB 3.4Å; I960-S963 PolarHBondContact O-N 3.21Å; V961-S963 VanDerWaalsContact C-N 3.29Å; V961-S963 PolarHBondContact O-N 3.26Å; S963-R966 WeakPolarHBondContact O-CB 3.29Å; S963-R966 PolarHBondContact O-N 2.94Å; S963-L967 PolarHBondContact O-N 3.32Å; S963-L967 VanDerWaalsContact O-N 3.13Å
964	V	43.8	Very low	41.4	Very low	74 Å²	74	114.5 Å²	114.5	45%	0.448	58%	0.576	S	S	.	*	H	α-helix	trans	-68.1	-40.9	176.7	174.2	0	0	0	0	111.5	I960 V961 R966 L967 Q968	I960-V964 WeakPolarHBondContact O-CG2 3.35Å; I960-V964 PolarHBondContact O-N 3.17Å; V961-V964 PolarHBondContact O-N 3.22Å; V964-R966 VanDerWaalsContact C-N 3.3Å; V964-R966 PolarHBondContact O-N 3.33Å; V964-L967 WeakPolarHBondContact O-CB 3.23Å; V964-L967 PolarHBondContact O-N 3.31Å; V964-Q968 PolarHBondContact O-N 2.91Å
965	L	46.1	Very low	41	Very low	97 Å²	97	112.3 Å²	112.3	51%	0.508	58%	0.584	S	S	.	*	H	α-helix	trans	-64.6	-34.4	174	-74.2	169	0	0	0	112.1	V961 L967 Q968 R969	V961-L965 HydrophobicContact CG1-CD1 3.95Å; V961-L965 WeakPolarHBondContact O-CB 3.39Å; V961-L965 WeakPolarHBondContact O-CG 3.37Å; V961-L965 PolarHBondContact O-N 3.1Å; L965-L967 VanDerWaalsContact C-N 3.33Å; L965-Q968 PolarHBondContact O-N 3.47Å; L965-R969 PolarHBondContact O-N 3.44Å
966	R	42.2	Very low	40.6	Very low	192 Å²	192	113.5 Å²	113.5	73%	0.725	59%	0.585	S	S	*	*	H	α-helix	trans	-64.7	-37.3	173.8	-159	173	-170.7	170.4	2.5	111.7	S962 S963 V964 R969 I970	S962-R966 WeakPolarHBondContact O-CB 3.39Å; S962-R966 PolarHBondContact O-N 3.02Å; S963-R966 WeakPolarHBondContact O-CB 3.29Å; S963-R966 PolarHBondContact O-N 2.94Å; V964-R966 VanDerWaalsContact C-N 3.3Å; V964-R966 PolarHBondContact O-N 3.33Å; R966-R969 PolarHBondContact O-N 2.98Å; R966-I970 WeakPolarHBondContact O-CG1 3.5Å; R966-I970 PolarHBondContact O-N 2.92Å
967	L	37.7	Very low	40.1	Very low	87 Å²	87	116.5 Å²	116.5	46%	0.455	60%	0.602	S	S	.	*	H	α-helix	trans	-67.6	-38.9	173.1	-73.2	167.7	0	0	0	112.5	S963 V964 L965 R969 I970 R971	S963-L967 PolarHBondContact O-N 3.32Å; S963-L967 VanDerWaalsContact O-N 3.13Å; V964-L967 WeakPolarHBondContact O-CB 3.23Å; V964-L967 PolarHBondContact O-N 3.31Å; L965-L967 VanDerWaalsContact C-N 3.33Å; L967-R969 PolarHBondContact O-N 3.41Å; L967-I970 PolarHBondContact O-N 3.19Å; L967-R971 PolarHBondContact O-N 3.35Å; L967-R971 VanDerWaalsContact O-N 3.14Å
968	Q	42.3	Very low	39.9	Very low	123 Å²	123	121.1 Å²	121.1	58%	0.575	61%	0.614	S	S	*	*	H	α-helix	trans	-65.6	-34.5	174.5	-79.9	-172.5	-17.8	0	0	113.2	V964 L965 I970 R971 R972	V964-Q968 PolarHBondContact O-N 2.91Å; L965-Q968 PolarHBondContact O-N 3.47Å; Q968-I970 VanDerWaalsContact C-N 3.35Å; Q968-R971 WeakPolarHBondContact O-CB 3.42Å; Q968-R971 PolarHBondContact O-N 3.01Å; Q968-R972 PolarHBondContact O-N 3.09Å
969	R	41.8	Very low	39.4	Very low	205 Å²	205	125.7 Å²	125.7	77%	0.774	62%	0.624	S	S	*	*	H	α-helix	trans	-65.9	-35.2	173	-95.1	-176.5	-169.7	160.9	5	113	L965 R966 L967 R971 R972 K973	L965-R969 PolarHBondContact O-N 3.44Å; R966-R969 PolarHBondContact O-N 2.98Å; L967-R969 PolarHBondContact O-N 3.41Å; R969-R971 VanDerWaalsContact C-N 3.31Å; R969-R972 PolarHBondContact O-N 2.82Å; R969-K973 PolarHBondContact O-N 2.74Å
970	I	39.4	Very low	38.7	Very low	109 Å²	109	129.7 Å²	129.7	56%	0.559	63%	0.628	S	S	*	*	H	α-helix	trans	-66.4	-37.7	174.8	-66.1	168	0	0	0	109.9	R966 L967 Q968 R972 K973 S974	R966-I970 WeakPolarHBondContact O-CG1 3.5Å; R966-I970 PolarHBondContact O-N 2.92Å; L967-I970 PolarHBondContact O-N 3.19Å; Q968-I970 VanDerWaalsContact C-N 3.35Å; I970-R972 VanDerWaalsContact C-N 3.33Å; I970-R972 PolarHBondContact O-N 3.18Å; I970-K973 PolarHBondContact O-N 3.09Å; I970-S974 PolarHBondContact O-OG 2.86Å
971	R	33.9	Very low	38.3	Very low	195 Å²	195	135 Å²	135	74%	0.736	65%	0.648	S	S	*	*	H	α-helix	trans	-62.6	-31.5	175.6	-162.5	176	178.8	169.8	-1.6	114.1	L967 Q968 R969	L967-R971 PolarHBondContact O-N 3.35Å; L967-R971 VanDerWaalsContact O-N 3.14Å; Q968-R971 WeakPolarHBondContact O-CB 3.42Å; Q968-R971 PolarHBondContact O-N 3.01Å; R969-R971 VanDerWaalsContact C-N 3.31Å
972	R	38.7	Very low	38	Very low	235 Å²	235	140 Å²	140	89%	0.887	66%	0.663	S	S	*	*	H	α-helix	trans	-80.9	-16.7	176.6	-81.3	-172.1	-178.7	164.9	1.9	114.3	Q968 R969 I970	Q968-R972 PolarHBondContact O-N 3.09Å; R969-R972 PolarHBondContact O-N 2.82Å; I970-R972 VanDerWaalsContact C-N 3.33Å; I970-R972 PolarHBondContact O-N 3.18Å
973	K	39.4	Very low	37.7	Very low	196 Å²	196	140.3 Å²	140.3	85%	0.852	66%	0.655	S	S	*	*	H	α-helix	trans	-92.3	-10.3	177.8	-79.1	-168.3	173.2	-172.7	0	114.2	R969 I970 G975	R969-K973 PolarHBondContact O-N 2.74Å; I970-K973 PolarHBondContact O-N 3.09Å; K973-G975 PolarHBondContact O-N 2.71Å
974	S	37.7	Very low	37.8	Very low	64 Å²	64	140.5 Å²	140.5	45%	0.448	66%	0.656	S	S	.	*			trans	-102.9	52.6	-179.1	47.8	0	0	0	0	112.8	I970 S976	I970-S974 PolarHBondContact O-OG 2.86Å; S974-S976 PolarHBondContact O-N 3.47Å
975	G	30.1	Very low	37.8	Very low	83 Å²	83	143.1 Å²	143.1	86%	0.856	66%	0.658	S	S	*	*			trans	-80.1	17.9	173.4	0	0	0	0	0	115.3	K973	K973-G975 PolarHBondContact O-N 2.71Å
976	S	36.1	Very low	37.7	Very low	74 Å²	74	143.2 Å²	143.2	52%	0.517	66%	0.662	S	S	.	*			trans	-145.7	113.4	-179.4	-179.4	0	0	0	0	111.9	S974 R978	S974-S976 PolarHBondContact O-N 3.47Å; S976-R978 PolarHBondContact O-N 3.23Å
977	L	31.5	Very low	37.7	Very low	177 Å²	177	137.4 Å²	137.4	93%	0.927	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	10.8	-175.9	-106.5	139.6	0	0	0	115.4
978	R	35.6	Very low	38.1	Very low	221 Å²	221	138 Å²	138	83%	0.834	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	1.8	-169.5	-72.6	-169.8	177.2	-172.1	0.6	117.1	S976	S976-R978 PolarHBondContact O-N 3.23Å
979	H	33.7	Very low	38.2	Very low	160 Å²	160	137.1 Å²	137.1	74%	0.741	65%	0.648	S	S	*	*			trans	-119.7	16.5	-175.9	-75.6	91.9	0	0	0	116.6	F981	H979-F981 PolarHBondContact O-N 3.3Å; H979-F981 VanDerWaalsContact O-N 3.11Å
980	W	28.3	Very low	38.4	Very low	139 Å²	139	129.5 Å²	129.5	53%	0.527	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.5	11.5	-177.6	-88.1	67.5	0	0	0	116.1	F982 F983 C1032	W980-F982 VanDerWaalsContact C-N 3.28Å; W980-F982 PolarHBondContact O-N 2.92Å; W980-F983 HydrophobicContact CE3-CD2 4.34Å; W980-F983 AromaticContact CE3-CE2 3.38Å; W980-F983 HydrophobicContact CE3-CE2 3.38Å; W980-F983 AromaticContact CE3-CZ 3.98Å; W980-F983 HydrophobicContact CE3-CZ 3.98Å; W980-F983 HydrophobicContact CH2-CE2 4.26Å; W980-F983 AromaticContact CH2-CZ 3.99Å; W980-F983 HydrophobicContact CH2-CZ 3.99Å; W980-F983 HydrophobicContact CZ3-CD2 4.48Å; W980-F983 AromaticContact CZ3-CE2 3.22Å; W980-F983 HydrophobicContact CZ3-CE2 3.22Å; W980-F983 AromaticContact CZ3-CZ 3.32Å; W980-F983 HydrophobicContact CZ3-CZ 3.32Å; W980-C1032 VanDerWaalsContact CZ3-SG 3.54Å
981	F	36.6	Very low	38.7	Very low	196 Å²	196	125.7 Å²	125.7	86%	0.86	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-0.5	178.3	-93.1	-81	0	0	0	115.4	H979	H979-F981 PolarHBondContact O-N 3.3Å; H979-F981 VanDerWaalsContact O-N 3.11Å
982	F	38.8	Very low	39.4	Very low	190 Å²	190	121.6 Å²	121.6	83%	0.833	60%	0.603	S	S	*	*			trans	-126.4	79.7	178.6	-79.9	-88.3	0	0	0	111	W980 S984	W980-F982 VanDerWaalsContact C-N 3.28Å; W980-F982 PolarHBondContact O-N 2.92Å; F982-S984 PolarHBondContact O-N 2.58Å
983	F	37.4	Very low	40	Very low	83 Å²	83	116.6 Å²	116.6	36%	0.364	59%	0.59	S	S	.	*			trans	-75.1	113.9	153.3	-96.3	-89.8	0	0	0	107.7	W980 D987	W980-F983 HydrophobicContact CE3-CD2 4.34Å; W980-F983 AromaticContact CE3-CE2 3.38Å; W980-F983 HydrophobicContact CE3-CE2 3.38Å; W980-F983 AromaticContact CE3-CZ 3.98Å; W980-F983 HydrophobicContact CE3-CZ 3.98Å; W980-F983 HydrophobicContact CH2-CE2 4.26Å; W980-F983 AromaticContact CH2-CZ 3.99Å; W980-F983 HydrophobicContact CH2-CZ 3.99Å; W980-F983 HydrophobicContact CZ3-CD2 4.48Å; W980-F983 AromaticContact CZ3-CE2 3.22Å; W980-F983 HydrophobicContact CZ3-CE2 3.22Å; W980-F983 AromaticContact CZ3-CZ 3.32Å; W980-F983 HydrophobicContact CZ3-CZ 3.32Å; F983-D987 HydrophobicContact CD1-CB 3.5Å; F983-D987 HydrophobicContact CE1-CB 3.94Å
984	S	43.5	Very low	40.4	Very low	50 Å²	50	111.8 Å²	111.8	35%	0.35	57%	0.566	S	S	.	*			trans	-70.7	154.2	168	74.4	0	0	0	0	109.4	F982 T986 D987 L988	F982-S984 PolarHBondContact O-N 2.58Å; S984-T986 PolarHBondContact O-N 2.79Å; S984-T986 VanDerWaalsContact O-N 3.09Å; S984-T986 PolarHBondContact OG-OG1 3.37Å; S984-D987 WeakPolarHBondContact CB-OD2 3.48Å; S984-D987 PolarHBondContact N-OD2 3.34Å; S984-D987 VanDerWaalsContact N-OD2 3.08Å; S984-D987 WeakPolarHBondContact O-CB 3.28Å; S984-D987 PolarHBondContact O-N 2.74Å; S984-D987 PolarHBondContact OG-OD2 3.3Å; S984-L988 PolarHBondContact O-N 3.44Å
985	R	43.2	Very low	41	Very low	129 Å²	129	111.3 Å²	111.3	49%	0.487	56%	0.558	S	S	.	*	H	α-helix	trans	-55.8	-27.7	178.1	-170.8	175.4	178.2	175	-0.7	112.8	L989	R985-L989 HydrophobicContact CG-CD1 4.43Å; R985-L989 PolarHBondContact O-N 2.77Å
986	T	42.9	Very low	41.9	Very low	99 Å²	99	110.6 Å²	110.6	61%	0.607	54%	0.535	S	S	*	.	H	α-helix	trans	-69.6	-32.3	175	36.5	0	0	0	0	112.9	S984 A990	S984-T986 PolarHBondContact O-N 2.79Å; S984-T986 VanDerWaalsContact O-N 3.09Å; S984-T986 PolarHBondContact OG-OG1 3.37Å; T986-A990 WeakPolarHBondContact O-CB 3.44Å; T986-A990 PolarHBondContact O-N 3.3Å
987	D	44.2	Very low	42.7	Very low	71 Å²	71	109 Å²	109	38%	0.38	52%	0.522	S	S	.	.	H	α-helix	trans	-74.5	-38.4	-178.8	-58.8	-41.6	0	0	0	111.7	F983 S984 A990 C991	F983-D987 HydrophobicContact CD1-CB 3.5Å; F983-D987 HydrophobicContact CE1-CB 3.94Å; S984-D987 WeakPolarHBondContact CB-OD2 3.48Å; S984-D987 PolarHBondContact N-OD2 3.34Å; S984-D987 VanDerWaalsContact N-OD2 3.08Å; S984-D987 WeakPolarHBondContact O-CB 3.28Å; S984-D987 PolarHBondContact O-N 2.74Å; S984-D987 PolarHBondContact OG-OD2 3.3Å; D987-A990 PolarHBondContact O-N 3.12Å; D987-C991 PolarHBondContact O-N 2.85Å; D987-C991 PolarHBondContact O-SG 2.88Å
988	L	44.4	Very low	43.6	Very low	99 Å²	99	103.2 Å²	103.2	52%	0.518	49%	0.488	S	S	.	.	H	α-helix	trans	-67	-40.6	174	-109.2	153.2	0	0	0	112.1	S984 C991 L992	S984-L988 PolarHBondContact O-N 3.44Å; L988-C991 PolarHBondContact O-N 3.46Å; L988-L992 PolarHBondContact O-N 3.47Å
989	L	46.2	Very low	44.3	Very low	105 Å²	105	100.4 Å²	100.4	55%	0.55	48%	0.478	S	S	.	.	H	α-helix	trans	-65.2	-39.3	173.3	-85.4	161.4	0	0	0	111.9	R985 L992 H993	R985-L989 HydrophobicContact CG-CD1 4.43Å; R985-L989 PolarHBondContact O-N 2.77Å; L989-L992 PolarHBondContact O-N 3.35Å; L989-H993 WeakPolarHBondContact O-CB 3.42Å; L989-H993 PolarHBondContact O-N 3.4Å
990	A	45.1	Very low	45.1	Very low	44 Å²	44	100.6 Å²	100.6	36%	0.364	47%	0.472	S	S	.	.	H	α-helix	trans	-61.3	-44.2	173.3	0	0	0	0	0	111.1	T986 D987 L992 H993 W994	T986-A990 WeakPolarHBondContact O-CB 3.44Å; T986-A990 PolarHBondContact O-N 3.3Å; D987-A990 PolarHBondContact O-N 3.12Å; A990-L992 PolarHBondContact O-N 3.47Å; A990-H993 PolarHBondContact O-N 3.08Å; A990-W994 WeakPolarHBondContact O-CB 3.46Å; A990-W994 PolarHBondContact O-N 2.99Å
991	C	46.1	Very low	46.1	Very low	29 Å²	29	96.9 Å²	96.9	20%	0.196	46%	0.462	C	S	.	.	H	α-helix	trans	-60.2	-43.1	176.7	-66.8	0	0	0	0	112.4	D987 L988 W994 L995	D987-C991 PolarHBondContact O-N 2.85Å; D987-C991 PolarHBondContact O-SG 2.88Å; L988-C991 PolarHBondContact O-N 3.46Å; C991-W994 PolarHBondContact O-N 2.93Å; C991-L995 PolarHBondContact O-N 3.38Å
992	L	48	Very low	46.8	Very low	109 Å²	109	89.4 Å²	89.4	57%	0.571	43%	0.434	S	S	*	.	H	α-helix	trans	-66	-41.3	176.7	-74.1	168.5	0	0	0	112.4	L988 L989 A990 W994 L995 D996	L988-L992 PolarHBondContact O-N 3.47Å; L989-L992 PolarHBondContact O-N 3.35Å; A990-L992 PolarHBondContact O-N 3.47Å; L992-W994 VanDerWaalsContact C-N 3.31Å; L992-W994 PolarHBondContact O-N 3.26Å; L992-L995 WeakPolarHBondContact O-CB 3.27Å; L992-L995 PolarHBondContact O-N 3.25Å; L992-D996 PolarHBondContact O-N 2.88Å; L992-D996 VanDerWaalsContact O-N 3.15Å
993	H	50.6	Low	47.3	Very low	130 Å²	130	85.7 Å²	85.7	60%	0.602	42%	0.423	S	S	*	.	H	α-helix	trans	-63.4	-38.7	176.1	-164.7	-75.7	0	0	0	111.5	L989 A990 D996 V997	L989-H993 WeakPolarHBondContact O-CB 3.42Å; L989-H993 PolarHBondContact O-N 3.4Å; A990-H993 PolarHBondContact O-N 3.08Å; H993-D996 PolarHBondContact O-N 2.72Å; H993-V997 WeakPolarHBondContact O-CG2 3.5Å; H993-V997 PolarHBondContact O-N 3.23Å
994	W	48.9	Very low	47.7	Very low	96 Å²	96	85.9 Å²	85.9	36%	0.364	43%	0.427	S	S	.	.	H	α-helix	trans	-71.2	-29.4	176	-83.8	110.3	0	0	0	113.4	A990 C991 L992 D996 V997 Y998 F1021	A990-W994 WeakPolarHBondContact O-CB 3.46Å; A990-W994 PolarHBondContact O-N 2.99Å; C991-W994 PolarHBondContact O-N 2.93Å; L992-W994 VanDerWaalsContact C-N 3.31Å; L992-W994 PolarHBondContact O-N 3.26Å; W994-D996 VanDerWaalsContact C-N 3.33Å; W994-V997 HydrophobicContact CE3-CB 4.18Å; W994-V997 HydrophobicContact CE3-CG1 4.02Å; W994-V997 HydrophobicContact CZ3-CG1 4Å; W994-V997 PolarHBondContact O-N 3.22Å; W994-Y998 WeakPolarHBondContact O-CB 3.4Å; W994-Y998 PolarHBondContact O-N 2.97Å; W994-F1021 HydrophobicContact CB-CZ 4.16Å; W994-F1021 HydrophobicContact CD2-CE2 4.41Å; W994-F1021 HydrophobicContact CD2-CZ 4.2Å; W994-F1021 AromaticContact CE3-CE2 3.84Å; W994-F1021 HydrophobicContact CE3-CE2 3.84Å; W994-F1021 AromaticContact CE3-CZ 3.66Å; W994-F1021 HydrophobicContact CE3-CZ 3.66Å; W994-F1021 HydrophobicContact CG-CZ 4.43Å; W994-F1021 HydrophobicContact CZ3-CE2 4.23Å; W994-F1021 HydrophobicContact CZ3-CZ 4.42Å
995	L	49	Very low	47.9	Very low	54 Å²	54	86.1 Å²	86.1	28%	0.283	42%	0.424	S	S	.	.	H	α-helix	trans	-64.8	-37.2	170.2	-121	137.4	0	0	0	111.8	C991 L992 R999 M1025	C991-L995 PolarHBondContact O-N 3.38Å; L992-L995 WeakPolarHBondContact O-CB 3.27Å; L992-L995 PolarHBondContact O-N 3.25Å; L995-R999 PolarHBondContact O-N 2.71Å; L995-M1025 HydrophobicContact CD1-CE 3.74Å; L995-M1025 HydrophobicContact CG-CE 4.03Å
996	D	50.2	Low	48.2	Very low	67 Å²	67	88.1 Å²	88.1	36%	0.358	44%	0.439	S	S	.	.	H	α-helix	trans	-72.1	-40.7	175.2	-155.2	48.2	0	0	0	111.8	L992 H993 W994 Y998 R999 R1000	L992-D996 PolarHBondContact O-N 2.88Å; L992-D996 VanDerWaalsContact O-N 3.15Å; H993-D996 PolarHBondContact O-N 2.72Å; W994-D996 VanDerWaalsContact C-N 3.33Å; D996-Y998 VanDerWaalsContact C-N 3.33Å; D996-Y998 PolarHBondContact O-N 3.49Å; D996-R999 PolarHBondContact O-N 2.81Å; D996-R1000 WeakPolarHBondContact O-CG 3.45Å; D996-R1000 PolarHBondContact O-N 2.85Å; D996-R1000 IonicContact OD2-CZ 3.54Å; D996-R1000 IonicContact OD2-NE 3.38Å; D996-R1000 PolarHBondContact OD2-NE 3.25Å; D996-R1000 IonicContact OD2-NH2 2.98Å; D996-R1000 PolarHBondContact OD2-NH2 3.25Å
997	V	52.6	Low	48.4	Very low	42 Å²	42	90.3 Å²	90.3	26%	0.255	44%	0.442	S	S	.	.	H	α-helix	trans	-60.6	-42.6	172.3	172.1	0	0	0	0	111	H993 W994 R1000 L1001	H993-V997 WeakPolarHBondContact O-CG2 3.5Å; H993-V997 PolarHBondContact O-N 3.23Å; W994-V997 HydrophobicContact CE3-CB 4.18Å; W994-V997 HydrophobicContact CE3-CG1 4.02Å; W994-V997 HydrophobicContact CZ3-CG1 4Å; W994-V997 PolarHBondContact O-N 3.22Å; V997-R1000 PolarHBondContact O-N 3.4Å; V997-L1001 HydrophobicContact CG1-CD1 3.81Å; V997-L1001 WeakPolarHBondContact O-CB 3.39Å; V997-L1001 PolarHBondContact O-N 2.89Å
998	Y	51.1	Low	48.3	Very low	55 Å²	55	94.3 Å²	94.3	22%	0.216	45%	0.453	C	S	.	.	H	α-helix	trans	-62.4	-44.6	174.7	175.4	-98	0	0	0	112.3	W994 D996 R1000 L1001 S1002 I1018 F1021 K1022	W994-Y998 WeakPolarHBondContact O-CB 3.4Å; W994-Y998 PolarHBondContact O-N 2.97Å; D996-Y998 VanDerWaalsContact C-N 3.33Å; D996-Y998 PolarHBondContact O-N 3.49Å; Y998-R1000 VanDerWaalsContact C-N 3.29Å; Y998-R1000 PolarHBondContact O-N 2.65Å; Y998-L1001 PolarHBondContact O-N 3.5Å; Y998-S1002 VanDerWaalsContact O-CB 3.28Å; Y998-S1002 WeakPolarHBondContact O-CB 3.48Å; Y998-S1002 PolarHBondContact O-N 2.96Å; Y998-I1018 HydrophobicContact CE2-CG2 4.46Å; Y998-F1021 AromaticContact CD2-CD1 3.8Å; Y998-F1021 HydrophobicContact CD2-CD1 3.8Å; Y998-F1021 HydrophobicContact CD2-CE1 4.13Å; Y998-F1021 HydrophobicContact CG-CE1 4.4Å; Y998-K1022 HydrophobicContact CE2-CB 4.07Å; Y998-K1022 HydrophobicContact CE2-CG 4.4Å; Y998-K1022 WeakPolarHBondContact OH-CD 3.48Å
999	R	48.8	Very low	48.4	Very low	161 Å²	161	97.1 Å²	97.1	61%	0.608	47%	0.474	S	S	*	.	H	α-helix	trans	-57.6	-42.7	174.5	-87.9	-176.4	-175	164.8	1.7	111.8	L995 D996 N1003	L995-R999 PolarHBondContact O-N 2.71Å; D996-R999 PolarHBondContact O-N 2.81Å; R999-N1003 WeakPolarHBondContact O-CB 3.42Å; R999-N1003 VanDerWaalsContact O-CG 3.29Å; R999-N1003 PolarHBondContact O-N 3.21Å; R999-N1003 VanDerWaalsContact O-N 3.09Å
1000	R	51.2	Low	48.7	Very low	165 Å²	165	93.6 Å²	93.6	62%	0.623	46%	0.458	S	S	*	.	H	α-helix	trans	-66.9	-43	178	-68.7	179.5	-164.1	-163.1	6.9	112.3	D996 V997 Y998 N1003 L1004	D996-R1000 WeakPolarHBondContact O-CG 3.45Å; D996-R1000 PolarHBondContact O-N 2.85Å; D996-R1000 IonicContact OD2-CZ 3.54Å; D996-R1000 IonicContact OD2-NE 3.38Å; D996-R1000 PolarHBondContact OD2-NE 3.25Å; D996-R1000 IonicContact OD2-NH2 2.98Å; D996-R1000 PolarHBondContact OD2-NH2 3.25Å; V997-R1000 PolarHBondContact O-N 3.4Å; Y998-R1000 VanDerWaalsContact C-N 3.29Å; Y998-R1000 PolarHBondContact O-N 2.65Å; R1000-N1003 PolarHBondContact O-N 3.45Å; R1000-L1004 PolarHBondContact O-N 2.89Å; R1000-L1004 VanDerWaalsContact O-N 3.1Å
1001	L	49.4	Very low	49	Very low	60 Å²	60	94.5 Å²	94.5	31%	0.314	46%	0.461	S	S	.	.	H	α-helix	trans	-66.6	-40.4	176.8	-81.1	163.1	0	0	0	112.5	V997 Y998 N1003 L1004 L1005	V997-L1001 HydrophobicContact CG1-CD1 3.81Å; V997-L1001 WeakPolarHBondContact O-CB 3.39Å; V997-L1001 PolarHBondContact O-N 2.89Å; Y998-L1001 PolarHBondContact O-N 3.5Å; L1001-N1003 VanDerWaalsContact C-N 3.3Å; L1001-N1003 PolarHBondContact O-N 3.35Å; L1001-L1004 PolarHBondContact O-N 3.41Å; L1001-L1005 PolarHBondContact O-N 3.38Å; L1001-L1005 VanDerWaalsContact O-N 3.08Å
1002	S	51.3	Low	49.1	Very low	39 Å²	39	97.6 Å²	97.6	27%	0.273	48%	0.483	S	S	.	.	H	α-helix	trans	-63.9	-36	176.2	-171.6	0	0	0	0	112	Y998	Y998-S1002 VanDerWaalsContact O-CB 3.28Å; Y998-S1002 WeakPolarHBondContact O-CB 3.48Å; Y998-S1002 PolarHBondContact O-N 2.96Å
1003	N	49	Very low	49.2	Very low	113 Å²	113	96.1 Å²	96.1	60%	0.604	48%	0.482	S	S	*	.	H	α-helix	trans	-71.3	-34.7	175	-74.3	-8.1	0	0	0	112.1	R999 R1000 L1001 H1006	R999-N1003 WeakPolarHBondContact O-CB 3.42Å; R999-N1003 VanDerWaalsContact O-CG 3.29Å; R999-N1003 PolarHBondContact O-N 3.21Å; R999-N1003 VanDerWaalsContact O-N 3.09Å; R1000-N1003 PolarHBondContact O-N 3.45Å; L1001-N1003 VanDerWaalsContact C-N 3.3Å; L1001-N1003 PolarHBondContact O-N 3.35Å; N1003-H1006 PolarHBondContact O-N 2.88Å
1004	L	46.2	Very low	49.3	Very low	86 Å²	86	92.9 Å²	92.9	45%	0.45	47%	0.469	S	S	.	.	H	α-helix	trans	-67.8	-35.5	176.3	-84	159.5	0	0	0	112.9	R1000 L1001 H1006 Q1007 Y1008	R1000-L1004 PolarHBondContact O-N 2.89Å; R1000-L1004 VanDerWaalsContact O-N 3.1Å; L1001-L1004 PolarHBondContact O-N 3.41Å; L1004-H1006 PolarHBondContact O-N 3.23Å; L1004-Q1007 PolarHBondContact O-N 3.02Å; L1004-Y1008 HydrophobicContact CD2-CD2 4.11Å; L1004-Y1008 HydrophobicContact CD2-CE2 4.12Å; L1004-Y1008 PolarHBondContact O-N 3.45Å; L1004-Y1008 VanDerWaalsContact O-N 3.16Å
1005	L	47.8	Very low	49.7	Very low	56 Å²	56	91.6 Å²	91.6	29%	0.293	47%	0.468	S	S	.	.	H	α-helix	trans	-60.1	-31.3	174.5	-97.4	165.6	0	0	0	113.2	L1001 Q1007 C1010 I1015 I1018	L1001-L1005 PolarHBondContact O-N 3.38Å; L1001-L1005 VanDerWaalsContact O-N 3.08Å; L1005-Q1007 VanDerWaalsContact C-N 3.26Å; L1005-Q1007 PolarHBondContact O-N 2.92Å; L1005-C1010 HydrophobicContact CD2-CB 3.97Å; L1005-I1015 HydrophobicContact CD2-CG1 3.94Å; L1005-I1018 HydrophobicContact CD1-CB 4.26Å; L1005-I1018 HydrophobicContact CD1-CD1 3.43Å; L1005-I1018 VanDerWaalsContact CD1-CD1 3.43Å; L1005-I1018 HydrophobicContact CD1-CG1 4.4Å; L1005-I1018 HydrophobicContact CD1-CG2 3.8Å; L1005-I1018 HydrophobicContact CG-CD1 3.95Å
1006	H	49.2	Very low	49.9	Very low	170 Å²	170	92.8 Å²	92.8	79%	0.787	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-11.8	176.2	-88.8	-57.7	0	0	0	113.7	N1003 L1004	N1003-H1006 PolarHBondContact O-N 2.88Å; L1004-H1006 PolarHBondContact O-N 3.23Å
1007	Q	47.3	Very low	49.9	Very low	146 Å²	146	92.1 Å²	92.1	68%	0.682	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-17.3	-179.3	-86.3	-176.7	-21	0	0	114.8	L1004 L1005	L1004-Q1007 PolarHBondContact O-N 3.02Å; L1005-Q1007 VanDerWaalsContact C-N 3.26Å; L1005-Q1007 PolarHBondContact O-N 2.92Å
1008	Y	42.2	Very low	50	Low	155 Å²	155	91.1 Å²	91.1	61%	0.608	48%	0.475	S	S	*	.	S	Bend	trans	-136	138.1	-173.9	-66.8	-84.8	0	0	0	113	L1004 C1010	L1004-Y1008 HydrophobicContact CD2-CD2 4.11Å; L1004-Y1008 HydrophobicContact CD2-CE2 4.12Å; L1004-Y1008 PolarHBondContact O-N 3.45Å; L1004-Y1008 VanDerWaalsContact O-N 3.16Å; Y1008-C1010 PolarHBondContact O-N 3.33Å; Y1008-C1010 PolarHBondContact O-SG 3.26Å
1009	V	46.4	Very low	50.2	Low	158 Å²	158	96 Å²	96	96%	0.958	49%	0.494	S	S	*	.			trans	-63.9	98.4	167	-179.7	0	0	0	0	107.8
1010	C	51.8	Low	50.4	Low	31 Å²	31	93.6 Å²	93.6	21%	0.209	49%	0.492	C	S	.	.			trans	-88	153.4	-178.1	-66.6	0	0	0	0	111.4	L1005 Y1008 L1014 I1015	L1005-C1010 HydrophobicContact CD2-CB 3.97Å; Y1008-C1010 PolarHBondContact O-N 3.33Å; Y1008-C1010 PolarHBondContact O-SG 3.26Å; C1010-L1014 HydrophobicContact CB-CB 4.44Å; C1010-L1014 HydrophobicContact CB-CD2 3.88Å; C1010-I1015 HydrophobicContact CB-CD1 4.47Å; C1010-I1015 HydrophobicContact CB-CG1 4.14Å
1011	S	52.9	Low	50.5	Low	62 Å²	62	87.9 Å²	87.9	43%	0.434	47%	0.472	S	S	.	.			trans	-62.6	151.1	172.7	64.7	0	0	0	0	111.6	S1013 L1014 I1015	S1011-S1013 PolarHBondContact O-N 2.84Å; S1011-S1013 PolarHBondContact OG-OG 3.46Å; S1011-S1013 VanDerWaalsContact OG-OG 3.05Å; S1011-L1014 PolarHBondContact O-N 3.47Å; S1011-L1014 VanDerWaalsContact O-N 3.11Å; S1011-L1014 PolarHBondContact OG-N 3.3Å; S1011-I1015 PolarHBondContact O-N 2.88Å
1012	S	47.9	Very low	50.7	Low	94 Å²	94	89.5 Å²	89.5	66%	0.657	48%	0.477	S	S	*	.	H	α-helix	trans	-60.9	-28.4	180	78.5	0	0	0	0	112.7	T1016	S1012-T1016 WeakPolarHBondContact O-CB 3.34Å; S1012-T1016 PolarHBondContact O-N 3.15Å; S1012-T1016 PolarHBondContact O-OG1 2.96Å
1013	S	50.5	Low	50.8	Low	78 Å²	78	94.4 Å²	94.4	55%	0.545	50%	0.496	S	S	.	.	H	α-helix	trans	-66.6	-40.8	175.8	55.3	0	0	0	0	112.4	S1011 T1016 A1017	S1011-S1013 PolarHBondContact O-N 2.84Å; S1011-S1013 PolarHBondContact OG-OG 3.46Å; S1011-S1013 VanDerWaalsContact OG-OG 3.05Å; S1013-T1016 PolarHBondContact O-N 3.26Å; S1013-A1017 WeakPolarHBondContact O-CB 3.35Å; S1013-A1017 PolarHBondContact O-N 3.21Å
1014	L	51.7	Low	50.9	Low	63 Å²	63	93 Å²	93	33%	0.33	49%	0.493	S	S	.	.	H	α-helix	trans	-68.3	-42.3	176.7	-161	86.7	0	0	0	111.2	C1010 S1011 T1016 A1017 I1018	C1010-L1014 HydrophobicContact CB-CB 4.44Å; C1010-L1014 HydrophobicContact CB-CD2 3.88Å; S1011-L1014 PolarHBondContact O-N 3.47Å; S1011-L1014 VanDerWaalsContact O-N 3.11Å; S1011-L1014 PolarHBondContact OG-N 3.3Å; L1014-T1016 VanDerWaalsContact C-N 3.32Å; L1014-T1016 PolarHBondContact O-N 3.02Å; L1014-A1017 PolarHBondContact O-N 3.5Å; L1014-I1018 HydrophobicContact CD2-CD1 4.21Å; L1014-I1018 HydrophobicContact CG-CD1 4.09Å; L1014-I1018 VanDerWaalsContact O-CG1 3.28Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.41Å; L1014-I1018 PolarHBondContact O-N 3.02Å
1015	I	57.1	Low	51.2	Low	68 Å²	68	90.3 Å²	90.3	35%	0.349	48%	0.479	S	S	.	.	H	α-helix	trans	-59.9	-44.4	176.8	-65.8	167.3	0	0	0	110.4	L1005 C1010 S1011 I1018 Y1019	L1005-I1015 HydrophobicContact CD2-CG1 3.94Å; C1010-I1015 HydrophobicContact CB-CD1 4.47Å; C1010-I1015 HydrophobicContact CB-CG1 4.14Å; S1011-I1015 PolarHBondContact O-N 2.88Å; I1015-I1018 PolarHBondContact O-N 3.45Å; I1015-Y1019 HydrophobicContact CG2-CD2 4.3Å; I1015-Y1019 PolarHBondContact O-N 3.05Å
1016	T	53.2	Low	51.4	Low	79 Å²	79	91 Å²	91	49%	0.485	49%	0.485	S	S	.	.	H	α-helix	trans	-65.7	-43.1	179.4	-51.7	0	0	0	0	111.7	S1012 S1013 L1014 I1018 Y1019 L1020	S1012-T1016 WeakPolarHBondContact O-CB 3.34Å; S1012-T1016 PolarHBondContact O-N 3.15Å; S1012-T1016 PolarHBondContact O-OG1 2.96Å; S1013-T1016 PolarHBondContact O-N 3.26Å; L1014-T1016 VanDerWaalsContact C-N 3.32Å; L1014-T1016 PolarHBondContact O-N 3.02Å; T1016-I1018 VanDerWaalsContact C-N 3.33Å; T1016-I1018 PolarHBondContact O-N 2.74Å; T1016-Y1019 PolarHBondContact O-N 3.41Å; T1016-L1020 HydrophobicContact CG2-CD1 4.26Å; T1016-L1020 PolarHBondContact O-N 3.43Å
1017	A	49.8	Very low	51.3	Low	53 Å²	53	89.4 Å²	89.4	44%	0.438	48%	0.476	S	S	.	.	H	α-helix	trans	-62.3	-39	176.6	0	0	0	0	0	112.4	S1013 L1014 F1021	S1013-A1017 WeakPolarHBondContact O-CB 3.35Å; S1013-A1017 PolarHBondContact O-N 3.21Å; L1014-A1017 PolarHBondContact O-N 3.5Å; A1017-F1021 WeakPolarHBondContact O-CB 3.43Å; A1017-F1021 PolarHBondContact O-N 3.32Å
1018	I	55.2	Low	51.3	Low	21 Å²	21	84.7 Å²	84.7	11%	0.108	46%	0.455	C	S	.	.	H	α-helix	trans	-69.5	-38.9	177	-67.1	167.2	0	0	0	111.1	Y998 L1005 L1014 I1015 T1016 F1021 K1022	Y998-I1018 HydrophobicContact CE2-CG2 4.46Å; L1005-I1018 HydrophobicContact CD1-CB 4.26Å; L1005-I1018 HydrophobicContact CD1-CD1 3.43Å; L1005-I1018 VanDerWaalsContact CD1-CD1 3.43Å; L1005-I1018 HydrophobicContact CD1-CG1 4.4Å; L1005-I1018 HydrophobicContact CD1-CG2 3.8Å; L1005-I1018 HydrophobicContact CG-CD1 3.95Å; L1014-I1018 HydrophobicContact CD2-CD1 4.21Å; L1014-I1018 HydrophobicContact CG-CD1 4.09Å; L1014-I1018 VanDerWaalsContact O-CG1 3.28Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.41Å; L1014-I1018 PolarHBondContact O-N 3.02Å; I1015-I1018 PolarHBondContact O-N 3.45Å; T1016-I1018 VanDerWaalsContact C-N 3.33Å; T1016-I1018 PolarHBondContact O-N 2.74Å; I1018-F1021 PolarHBondContact O-N 2.67Å; I1018-K1022 WeakPolarHBondContact O-CB 3.41Å; I1018-K1022 PolarHBondContact O-N 3.33Å
1019	Y	56.3	Low	51.7	Low	159 Å²	159	81.6 Å²	81.6	62%	0.624	45%	0.448	S	S	*	.	H	α-helix	trans	-62.4	-47.3	174.5	-109.6	-82.2	0	0	0	112.1	I1015 T1016 F1021 K1022 E1023	I1015-Y1019 HydrophobicContact CG2-CD2 4.3Å; I1015-Y1019 PolarHBondContact O-N 3.05Å; T1016-Y1019 PolarHBondContact O-N 3.41Å; Y1019-F1021 VanDerWaalsContact C-N 3.29Å; Y1019-F1021 PolarHBondContact O-N 3.08Å; Y1019-K1022 PolarHBondContact O-N 3.36Å; Y1019-E1023 PolarHBondContact O-N 3.4Å
1020	L	51.8	Low	51.6	Low	109 Å²	109	80.7 Å²	80.7	57%	0.571	43%	0.431	S	S	*	.	H	α-helix	trans	-58.7	-40.1	173.9	-98.1	145.9	0	0	0	112	T1016 C1024	T1016-L1020 HydrophobicContact CG2-CD1 4.26Å; T1016-L1020 PolarHBondContact O-N 3.43Å; L1020-C1024 WeakPolarHBondContact O-CB 3.02Å; L1020-C1024 PolarHBondContact O-N 2.79Å; L1020-C1024 VanDerWaalsContact O-N 3.09Å
1021	F	53.7	Low	51.3	Low	45 Å²	45	85.5 Å²	85.5	20%	0.197	45%	0.45	C	S	.	.	H	α-helix	trans	-66.9	-43.8	177.1	-169.6	-90	0	0	0	112.3	W994 Y998 A1017 I1018 Y1019 E1023 C1024 M1025	W994-F1021 HydrophobicContact CB-CZ 4.16Å; W994-F1021 HydrophobicContact CD2-CE2 4.41Å; W994-F1021 HydrophobicContact CD2-CZ 4.2Å; W994-F1021 AromaticContact CE3-CE2 3.84Å; W994-F1021 HydrophobicContact CE3-CE2 3.84Å; W994-F1021 AromaticContact CE3-CZ 3.66Å; W994-F1021 HydrophobicContact CE3-CZ 3.66Å; W994-F1021 HydrophobicContact CG-CZ 4.43Å; W994-F1021 HydrophobicContact CZ3-CE2 4.23Å; W994-F1021 HydrophobicContact CZ3-CZ 4.42Å; Y998-F1021 AromaticContact CD2-CD1 3.8Å; Y998-F1021 HydrophobicContact CD2-CD1 3.8Å; Y998-F1021 HydrophobicContact CD2-CE1 4.13Å; Y998-F1021 HydrophobicContact CG-CE1 4.4Å; A1017-F1021 WeakPolarHBondContact O-CB 3.43Å; A1017-F1021 PolarHBondContact O-N 3.32Å; I1018-F1021 PolarHBondContact O-N 2.67Å; Y1019-F1021 VanDerWaalsContact C-N 3.29Å; Y1019-F1021 PolarHBondContact O-N 3.08Å; F1021-E1023 VanDerWaalsContact C-N 3.33Å; F1021-E1023 PolarHBondContact O-N 2.68Å; F1021-C1024 PolarHBondContact O-N 2.89Å; F1021-M1025 HydrophobicContact CD1-CG 4Å; F1021-M1025 HydrophobicContact CE1-CG 3.54Å; F1021-M1025 HydrophobicContact CE1-SD 4.46Å; F1021-M1025 HydrophobicContact CZ-CG 3.98Å; F1021-M1025 HydrophobicContact CZ-SD 4.42Å; F1021-M1025 PolarHBondContact O-N 3.15Å
1022	K	53	Low	51	Low	94 Å²	94	84.1 Å²	84.1	41%	0.409	44%	0.44	S	S	.	.	H	α-helix	trans	-59	-44.8	175.7	-176.6	-179.2	179.4	-178	0	111.1	Y998 I1018 Y1019 M1025 T1026	Y998-K1022 HydrophobicContact CE2-CB 4.07Å; Y998-K1022 HydrophobicContact CE2-CG 4.4Å; Y998-K1022 WeakPolarHBondContact OH-CD 3.48Å; I1018-K1022 WeakPolarHBondContact O-CB 3.41Å; I1018-K1022 PolarHBondContact O-N 3.33Å; Y1019-K1022 PolarHBondContact O-N 3.36Å; K1022-M1025 PolarHBondContact O-N 3.06Å; K1022-T1026 WeakPolarHBondContact O-CB 3.16Å; K1022-T1026 PolarHBondContact O-N 2.82Å; K1022-T1026 PolarHBondContact O-OG1 3.43Å
1023	E	53.7	Low	50.9	Low	143 Å²	143	82 Å²	82	67%	0.668	42%	0.421	S	S	*	.	H	α-helix	trans	-63.4	-43.7	179	-153.1	-179.4	-165	0	0	111.4	Y1019 F1021 T1026 K1027	Y1019-E1023 PolarHBondContact O-N 3.4Å; F1021-E1023 VanDerWaalsContact C-N 3.33Å; F1021-E1023 PolarHBondContact O-N 2.68Å; E1023-T1026 PolarHBondContact O-N 3.23Å; E1023-K1027 PolarHBondContact O-N 3.03Å; E1023-K1027 VanDerWaalsContact O-N 3.11Å
1024	C	51.2	Low	50.5	Low	82 Å²	82	83 Å²	83	55%	0.554	42%	0.417	S	S	*	.	H	α-helix	trans	-61.5	-46	176.3	-132.9	0	0	0	0	112.3	L1020 F1021 K1027 L1028	L1020-C1024 WeakPolarHBondContact O-CB 3.02Å; L1020-C1024 PolarHBondContact O-N 2.79Å; L1020-C1024 VanDerWaalsContact O-N 3.09Å; F1021-C1024 PolarHBondContact O-N 2.89Å; C1024-K1027 PolarHBondContact O-N 3Å; C1024-L1028 PolarHBondContact O-N 3.03Å
1025	M	53.4	Low	50.1	Low	31 Å²	31	83.6 Å²	83.6	15%	0.153	43%	0.425	C	S	.	.	H	α-helix	trans	-68.2	-37	178.7	-78.2	-62.3	-67.3	0	0	112.8	L995 F1021 K1022 K1027 L1028 M1029	L995-M1025 HydrophobicContact CD1-CE 3.74Å; L995-M1025 HydrophobicContact CG-CE 4.03Å; F1021-M1025 HydrophobicContact CD1-CG 4Å; F1021-M1025 HydrophobicContact CE1-CG 3.54Å; F1021-M1025 HydrophobicContact CE1-SD 4.46Å; F1021-M1025 HydrophobicContact CZ-CG 3.98Å; F1021-M1025 HydrophobicContact CZ-SD 4.42Å; F1021-M1025 PolarHBondContact O-N 3.15Å; K1022-M1025 PolarHBondContact O-N 3.06Å; M1025-K1027 VanDerWaalsContact C-N 3.3Å; M1025-K1027 PolarHBondContact O-N 3.1Å; M1025-L1028 PolarHBondContact O-N 3.04Å; M1025-M1029 WeakPolarHBondContact O-CB 3.26Å; M1025-M1029 WeakPolarHBondContact O-CG 3.4Å; M1025-M1029 PolarHBondContact O-N 2.75Å
1026	T	51.3	Low	49.4	Very low	70 Å²	70	87.4 Å²	87.4	43%	0.429	44%	0.439	S	S	.	.	H	α-helix	trans	-64.2	-39.3	177.3	-51	0	0	0	0	110.6	K1022 E1023 K1030	K1022-T1026 WeakPolarHBondContact O-CB 3.16Å; K1022-T1026 PolarHBondContact O-N 2.82Å; K1022-T1026 PolarHBondContact O-OG1 3.43Å; E1023-T1026 PolarHBondContact O-N 3.23Å; T1026-K1030 PolarHBondContact O-N 3.24Å; T1026-K1030 VanDerWaalsContact O-N 3.08Å
1027	K	47.8	Very low	48.7	Very low	136 Å²	136	87.3 Å²	87.3	59%	0.591	44%	0.435	S	S	*	.	H	α-helix	trans	-66.9	-44.1	175.1	-133.9	175.1	-176.2	175.8	0	112.1	E1023 C1024 M1025 M1029 K1030 E1031	E1023-K1027 PolarHBondContact O-N 3.03Å; E1023-K1027 VanDerWaalsContact O-N 3.11Å; C1024-K1027 PolarHBondContact O-N 3Å; M1025-K1027 VanDerWaalsContact C-N 3.3Å; M1025-K1027 PolarHBondContact O-N 3.1Å; K1027-M1029 VanDerWaalsContact C-N 3.33Å; K1027-M1029 PolarHBondContact O-N 3.05Å; K1027-K1030 PolarHBondContact O-N 3.01Å; K1027-E1031 WeakPolarHBondContact O-CB 3.36Å; K1027-E1031 PolarHBondContact O-N 3.34Å
1028	L	46.9	Very low	48	Very low	47 Å²	47	90.2 Å²	90.2	25%	0.246	44%	0.442	C	S	.	.	H	α-helix	trans	-62.5	-38.6	176.9	-158.8	115.6	0	0	0	112.2	C1024 M1025 C1032	C1024-L1028 PolarHBondContact O-N 3.03Å; M1025-L1028 PolarHBondContact O-N 3.04Å; L1028-C1032 WeakPolarHBondContact O-CB 3.19Å; L1028-C1032 PolarHBondContact O-N 3.07Å
1029	M	49.7	Very low	47.1	Very low	90 Å²	90	94.1 Å²	94.1	44%	0.443	47%	0.468	S	S	.	.	I	π-helix	trans	-67.1	-48	176.2	-76.1	-113.2	-68.2	0	0	112.4	M1025 K1027 I1033 E1034	M1025-M1029 WeakPolarHBondContact O-CB 3.26Å; M1025-M1029 WeakPolarHBondContact O-CG 3.4Å; M1025-M1029 PolarHBondContact O-N 2.75Å; K1027-M1029 VanDerWaalsContact C-N 3.33Å; K1027-M1029 PolarHBondContact O-N 3.05Å; M1029-I1033 HydrophobicContact CG-CD1 4.28Å; M1029-I1033 WeakPolarHBondContact O-CB 3.38Å; M1029-I1033 PolarHBondContact O-N 3.04Å; M1029-I1033 HydrophobicContact SD-CD1 4.26Å; M1029-E1034 PolarHBondContact O-N 3.21Å
1030	K	45.9	Very low	46	Very low	139 Å²	139	93.6 Å²	93.6	60%	0.604	48%	0.476	S	S	*	.	I	π-helix	trans	-67	-42	-179.6	-79.6	-170.8	168.2	-176	0	113.1	T1026 K1027	T1026-K1030 PolarHBondContact O-N 3.24Å; T1026-K1030 VanDerWaalsContact O-N 3.08Å; K1027-K1030 PolarHBondContact O-N 3.01Å
1031	E	44.3	Very low	45.1	Very low	133 Å²	133	94 Å²	94	62%	0.621	48%	0.477	S	S	*	.	I	π-helix	trans	-86.9	-33.4	-174.3	-67.9	-176.2	-165.5	0	0	113.3	K1027	K1027-E1031 WeakPolarHBondContact O-CB 3.36Å; K1027-E1031 PolarHBondContact O-N 3.34Å
1032	C	47.2	Very low	43.8	Very low	33 Å²	33	94.8 Å²	94.8	22%	0.223	50%	0.498	C	S	.	.	I	π-helix	trans	-108.1	-28.4	-171.7	-55.4	0	0	0	0	114.6	W980 L1028 F1036	W980-C1032 VanDerWaalsContact CZ3-SG 3.54Å; L1028-C1032 WeakPolarHBondContact O-CB 3.19Å; L1028-C1032 PolarHBondContact O-N 3.07Å; C1032-F1036 WeakPolarHBondContact O-CD2 3.01Å
1033	I	44.8	Very low	42.9	Very low	50 Å²	50	100 Å²	100	26%	0.256	52%	0.521	S	S	.	.	I	π-helix	trans	-106.3	-45	-170.6	-58.8	179.3	0	0	0	111.4	M1029 P1035 F1036 I1037	M1029-I1033 HydrophobicContact CG-CD1 4.28Å; M1029-I1033 WeakPolarHBondContact O-CB 3.38Å; M1029-I1033 PolarHBondContact O-N 3.04Å; M1029-I1033 HydrophobicContact SD-CD1 4.26Å; I1033-P1035 VanDerWaalsContact C-CD 3.46Å; I1033-F1036 PolarHBondContact O-N 3.37Å; I1033-I1037 HydrophobicContact CG2-CD1 3.41Å; I1033-I1037 VanDerWaalsContact CG2-CD1 3.41Å; I1033-I1037 HydrophobicContact CG2-CG1 3.89Å; I1033-I1037 PolarHBondContact O-N 3.31Å
1034	E	41.9	Very low	41.8	Very low	98 Å²	98	101.8 Å²	101.8	46%	0.458	53%	0.529	S	S	.	.	H	α-helix	trans	-56.6	-40.2	-177.5	-151.7	168.8	-162.9	0	0	113.6	M1029 F1036 I1037 I1038	M1029-E1034 PolarHBondContact O-N 3.21Å; E1034-F1036 VanDerWaalsContact C-N 3.27Å; E1034-F1036 PolarHBondContact O-N 2.95Å; E1034-I1037 PolarHBondContact O-N 2.87Å; E1034-I1038 HydrophobicContact CG-CD1 3.8Å; E1034-I1038 HydrophobicContact CG-CG1 4.36Å; E1034-I1038 WeakPolarHBondContact O-CG1 3.23Å; E1034-I1038 PolarHBondContact O-N 3.42Å
1035	P	43.3	Very low	40.7	Very low	75 Å²	75	105.3 Å²	105.3	49%	0.487	54%	0.543	S	S	.	.	H	α-helix	trans	-66.1	-25.1	176.4	-19.6	32.2	0	0	0	114.2	I1033 P1039	I1033-P1035 VanDerWaalsContact C-CD 3.46Å; P1035-P1039 VanDerWaalsContact O-CD 3.27Å; P1035-P1039 WeakPolarHBondContact O-CD 3.05Å
1036	F	43.9	Very low	39.4	Very low	148 Å²	148	108.9 Å²	108.9	65%	0.649	57%	0.571	S	S	*	*	H	α-helix	trans	-94	-26.2	-178	-74.9	-84.5	0	0	0	113.2	C1032 I1033 E1034	C1032-F1036 WeakPolarHBondContact O-CD2 3.01Å; I1033-F1036 PolarHBondContact O-N 3.37Å; E1034-F1036 VanDerWaalsContact C-N 3.27Å; E1034-F1036 PolarHBondContact O-N 2.95Å
1037	I	37.1	Very low	38.1	Very low	77 Å²	77	117.5 Å²	117.5	40%	0.395	60%	0.596	S	S	.	*	H	α-helix	trans	-89.2	-31.9	-178	-66.3	-168.1	0	0	0	112.7	I1033 E1034 L1040 I1041	I1033-I1037 HydrophobicContact CG2-CD1 3.41Å; I1033-I1037 VanDerWaalsContact CG2-CD1 3.41Å; I1033-I1037 HydrophobicContact CG2-CG1 3.89Å; I1033-I1037 PolarHBondContact O-N 3.31Å; E1034-I1037 PolarHBondContact O-N 2.87Å; I1037-L1040 WeakPolarHBondContact O-CA 3.45Å; I1037-L1040 PolarHBondContact O-N 2.82Å; I1037-I1041 HydrophobicContact CG2-CD1 3.27Å; I1037-I1041 HydrophobicContact CG2-CG1 3.69Å; I1037-I1041 PolarHBondContact O-N 2.94Å
1038	I	36.8	Very low	37.2	Very low	115 Å²	115	116 Å²	116	59%	0.59	60%	0.602	S	S	*	*	H	α-helix	trans	-59.5	-39.2	178.7	-68.1	175	0	0	0	112.6	E1034 L1040 G1042	E1034-I1038 HydrophobicContact CG-CD1 3.8Å; E1034-I1038 HydrophobicContact CG-CG1 4.36Å; E1034-I1038 WeakPolarHBondContact O-CG1 3.23Å; E1034-I1038 PolarHBondContact O-N 3.42Å; I1038-L1040 VanDerWaalsContact C-N 3.26Å; I1038-L1040 PolarHBondContact O-N 3.27Å; I1038-G1042 PolarHBondContact O-N 3.27Å
1039	P	34.5	Very low	36.2	Very low	103 Å²	103	121 Å²	121	67%	0.669	63%	0.629	S	S	*	*	H	α-helix	trans	-67.8	-22.6	172.3	-19.9	32.5	0	0	0	114.3	P1035	P1035-P1039 VanDerWaalsContact O-CD 3.27Å; P1035-P1039 WeakPolarHBondContact O-CD 3.05Å
1040	L	34.1	Very low	34.9	Very low	148 Å²	148	128.1 Å²	128.1	78%	0.775	65%	0.651	S	S	*	*	H	α-helix	trans	-90	-29.1	-176.6	-95.1	154.9	0	0	0	113.4	I1037 I1038	I1037-L1040 WeakPolarHBondContact O-CA 3.45Å; I1037-L1040 PolarHBondContact O-N 2.82Å; I1038-L1040 VanDerWaalsContact C-N 3.26Å; I1038-L1040 PolarHBondContact O-N 3.27Å
1041	I	32.4	Very low	34	Very low	116 Å²	116	127.4 Å²	127.4	60%	0.595	66%	0.658	S	S	*	*	H	α-helix	trans	-93.8	-13.3	179.8	-61.8	-176.6	0	0	0	112.5	I1037 K1043	I1037-I1041 HydrophobicContact CG2-CD1 3.27Å; I1037-I1041 HydrophobicContact CG2-CG1 3.69Å; I1037-I1041 PolarHBondContact O-N 2.94Å; I1041-K1043 PolarHBondContact O-N 2.61Å
1042	G	27.7	Very low	33	Very low	63 Å²	63	132.7 Å²	132.7	65%	0.649	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	11.9	-179	0	0	0	0	0	117.6	I1038	I1038-G1042 PolarHBondContact O-N 3.27Å
1043	K	32.9	Very low	31.8	Very low	204 Å²	204	139.6 Å²	139.6	89%	0.887	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.9	5.3	-179.4	-85.1	-161.9	175.8	-175.7	0	119	I1041	I1041-K1043 PolarHBondContact O-N 2.61Å
1044	Q	30.6	Very low	30.8	Very low	179 Å²	179	147.9 Å²	147.9	84%	0.836	73%	0.732	S	S	*	*	S	Bend	trans	-123.9	-3.2	-172.3	-93.4	-171.5	-15.8	0	0	120.3
1045	N	28.1	Very low	30	Very low	156 Å²	156	152.9 Å²	152.9	83%	0.834	76%	0.755	S	S	*	*	S	Bend	trans	-129.3	73.9	-179.7	-76.1	-17.9	0	0	0	113.7
1046	S	25.8	Very low	29	Very low	106 Å²	106	152 Å²	152	74%	0.741	76%	0.759	S	S	*	*	S	Bend	trans	-160.8	20.4	153.8	83.8	0	0	0	0	116.1
1047	W	24.8	Very low	28.2	Very low	252 Å²	252	154.1 Å²	154.1	96%	0.955	77%	0.771	S	S	*	*	S	Bend	trans	-109.8	26.9	-173.8	-92.2	88.5	0	0	0	116.2
1048	S	28.5	Very low	27.7	Very low	103 Å²	103	154.3 Å²	154.3	72%	0.72	78%	0.784	S	S	*	*	S	Bend	trans	-139	-8.9	176.7	67.2	0	0	0	0	120.8
1049	N	25.8	Very low	27.1	Very low	153 Å²	153	156.4 Å²	156.4	82%	0.818	80%	0.796	S	S	*	*	S	Bend	trans	-140.5	25.5	-172.5	-84.7	-30.6	0	0	0	118.4
1050	R	23.2	Very low	26.8	Very low	239 Å²	239	160.9 Å²	160.9	90%	0.902	81%	0.808	S	S	*	*	S	Bend	trans	-161.1	90.8	168.6	-105.6	-179.1	-90.7	-161.4	-4.3	105.4
1051	V	26.4	Very low	26.4	Very low	125 Å²	125	157.3 Å²	157.3	76%	0.758	81%	0.808	S	S	*	*				-154.6	99.8	75.7	175.3	0	0	0	0	108.9
1052	R	22.8	Very low	26.2	Very low	243 Å²	243	157.3 Å²	157.3	92%	0.917	81%	0.813	S	S	*	*	S	Bend	trans	-109.5	127.9	135.7	-119	-179.7	-179.2	176.2	0	102.6
1053	M	23	Very low	26.4	Very low	179 Å²	179	160.1 Å²	160.1	88%	0.882	82%	0.82	S	S	*	*	S	Bend	trans	86.8	81.1	-167.9	-50.2	-70.2	-170.2	0	0	114.8
1054	R	23.9	Very low	26.5	Very low	224 Å²	224	155.4 Å²	155.4	85%	0.845	81%	0.808	S	S	*	*				173.5	82.3	118.8	-92.8	-179.3	-177.7	-175.4	0.5	108
1055	E	23.7	Very low	26.8	Very low	203 Å²	203	150.1 Å²	150.1	95%	0.949	79%	0.785	S	S	*	*			trans	-54.9	139	139.1	-68	175.5	156.6	0	0	107.8
1056	G	23.7	Very low	27.3	Very low	56 Å²	56	145.7 Å²	145.7	58%	0.577	77%	0.765	S	S	*	*			trans	114.1	70	179.4	0	0	0	0	0	113.2
1057	H	26.5	Very low	28	Very low	192 Å²	192	144.1 Å²	144.1	89%	0.889	75%	0.754	S	S	*	*				179.2	107	112.8	-88.7	-63.7	0	0	0	109.7
1058	A	25.6	Very low	28.7	Very low	82 Å²	82	134.8 Å²	134.8	68%	0.678	73%	0.73	S	S	*	*			trans	20.3	127.1	144.2	0	0	0	0	0	120.1
1059	N	25.2	Very low	29.4	Very low	159 Å²	159	132 Å²	132	85%	0.85	71%	0.711	S	S	*	*			trans	63.9	78.2	137.1	-64.7	-6.2	0	0	0	118.2
1060	Q	28	Very low	30.1	Very low	196 Å²	196	126.6 Å²	126.6	92%	0.916	68%	0.682	S	S	*	*			trans	-121.4	114.9	134.3	-72.9	-172.4	-3.9	0	0	107.5	T1062	Q1060-T1062 PolarHBondContact O-N 3.36Å
1061	G	26.5	Very low	30.9	Very low	74 Å²	74	124 Å²	124	76%	0.763	67%	0.672	S	S	*	*			trans	-54.9	123.9	-168.5	0	0	0	0	0	112.2
1062	T	27.6	Very low	31.6	Very low	116 Å²	116	126.8 Å²	126.8	71%	0.712	67%	0.674	S	S	*	*			trans	-49.8	134.2	153	29.1	0	0	0	0	107.7	Q1060 V1064	Q1060-T1062 PolarHBondContact O-N 3.36Å; T1062-V1064 PolarHBondContact O-N 3.09Å
1063	P	32.1	Very low	32.4	Very low	121 Å²	121	121.5 Å²	121.5	79%	0.786	66%	0.658	S	S	*	*			trans	-68	88.3	175.7	27.7	-30.8	0	0	0	107.1	L1065	P1063-L1065 PolarHBondContact O-N 3.37Å
1064	V	35.7	Very low	33.3	Very low	105 Å²	105	115.4 Å²	115.4	64%	0.636	63%	0.633	S	S	*	*			trans	-64.6	97.5	163.8	-179.3	0	0	0	0	103.6	T1062 P1066	T1062-V1064 PolarHBondContact O-N 3.09Å; V1064-P1066 VanDerWaalsContact C-N 3.32Å; V1064-P1066 WeakPolarHBondContact O-CD 3.1Å
1065	L	36	Very low	34.5	Very low	68 Å²	68	105.6 Å²	105.6	36%	0.356	60%	0.597	S	S	.	*			trans	-52.1	108	156.2	-123.8	140.5	0	0	0	103.6	P1063 S1067 F1113	P1063-L1065 PolarHBondContact O-N 3.37Å; L1065-S1067 PolarHBondContact O-N 3.33Å; L1065-F1113 HydrophobicContact CB-CE1 3.97Å; L1065-F1113 HydrophobicContact CB-CZ 4.08Å; L1065-F1113 HydrophobicContact CD1-CZ 4.3Å
1066	P	39.3	Very low	35.6	Very low	63 Å²	63	100.3 Å²	100.3	41%	0.409	58%	0.575	S	S	.	*			trans	-56.4	127.4	-170.5	-21.8	31.1	0	0	0	105.9	V1064 A1068 S1069	V1064-P1066 VanDerWaalsContact C-N 3.32Å; V1064-P1066 WeakPolarHBondContact O-CD 3.1Å; P1066-A1068 HydrophobicContact CB-CB 4.11Å; P1066-A1068 PolarHBondContact O-N 2.79Å; P1066-S1069 WeakPolarHBondContact O-CB 3.49Å; P1066-S1069 PolarHBondContact O-N 2.76Å
1067	S	39.8	Very low	36.7	Very low	73 Å²	73	104.2 Å²	104.2	51%	0.51	58%	0.58	S	S	.	*	H	α-helix	trans	-51.2	-26.1	170.1	59.3	0	0	0	0	110.2	L1065 R1071	L1065-S1067 PolarHBondContact O-N 3.33Å; S1067-R1071 WeakPolarHBondContact O-CG 3.38Å; S1067-R1071 PolarHBondContact O-N 3.41Å
1068	A	40.2	Very low	38.1	Very low	56 Å²	56	98.6 Å²	98.6	46%	0.463	55%	0.554	S	S	.	*	H	α-helix	trans	-61.7	-32.4	169.2	0	0	0	0	0	115.7	P1066 R1071 K1072	P1066-A1068 HydrophobicContact CB-CB 4.11Å; P1066-A1068 PolarHBondContact O-N 2.79Å; A1068-R1071 PolarHBondContact O-N 2.96Å; A1068-K1072 WeakPolarHBondContact O-CB 3.26Å; A1068-K1072 PolarHBondContact O-N 3.1Å
1069	S	42	Very low	39.8	Very low	44 Å²	44	94.8 Å²	94.8	31%	0.308	52%	0.522	S	S	.	.	H	α-helix	trans	-74.2	-36.2	178.9	-61.9	0	0	0	0	111.9	P1066 K1072 F1073	P1066-S1069 WeakPolarHBondContact O-CB 3.49Å; P1066-S1069 PolarHBondContact O-N 2.76Å; S1069-K1072 PolarHBondContact O-N 2.75Å; S1069-F1073 PolarHBondContact O-N 3.13Å
1070	L	40.5	Very low	41.9	Very low	40 Å²	40	89 Å²	89	21%	0.209	49%	0.492	C	S	.	.	H	α-helix	trans	-74.2	-33.8	170.6	-93.5	152.9	0	0	0	111.9	K1072 F1073 L1108 A1116	L1070-K1072 VanDerWaalsContact C-N 3.29Å; L1070-K1072 PolarHBondContact O-N 3.25Å; L1070-F1073 WeakPolarHBondContact O-CB 3.37Å; L1070-F1073 PolarHBondContact O-N 3.29Å; L1070-L1108 HydrophobicContact CD1-CD2 4.43Å; L1070-A1116 HydrophobicContact CD1-CB 3.9Å
1071	R	40	Very low	43.7	Very low	185 Å²	185	84.4 Å²	84.4	70%	0.698	47%	0.47	S	S	*	.	H	α-helix	trans	-66.7	-27.9	168.8	-73	-176.1	-165.8	-156.1	4.6	113.3	S1067 A1068 F1073	S1067-R1071 WeakPolarHBondContact O-CG 3.38Å; S1067-R1071 PolarHBondContact O-N 3.41Å; A1068-R1071 PolarHBondContact O-N 2.96Å; R1071-F1073 VanDerWaalsContact C-N 3.33Å; R1071-F1073 CarbonylContact O-C 3.59Å
1072	K	41.5	Very low	45.8	Very low	184 Å²	184	81.7 Å²	81.7	80%	0.8	44%	0.438	S	S	*	.	H	α-helix	trans	-74.6	-20.7	176.3	-96.5	-175.7	174.3	-180	0	113.5	A1068 S1069 L1070 S1074	A1068-K1072 WeakPolarHBondContact O-CB 3.26Å; A1068-K1072 PolarHBondContact O-N 3.1Å; S1069-K1072 PolarHBondContact O-N 2.75Å; L1070-K1072 VanDerWaalsContact C-N 3.29Å; L1070-K1072 PolarHBondContact O-N 3.25Å; K1072-S1074 PolarHBondContact O-N 3.49Å
1073	F	40.6	Very low	48.3	Very low	131 Å²	131	76.3 Å²	76.3	58%	0.575	41%	0.405	S	S	*	.	S	Bend	trans	-67.9	83.4	151.5	-95.8	-90.9	0	0	0	106.1	S1069 L1070 R1071 L1075 E1078	S1069-F1073 PolarHBondContact O-N 3.13Å; L1070-F1073 WeakPolarHBondContact O-CB 3.37Å; L1070-F1073 PolarHBondContact O-N 3.29Å; R1071-F1073 VanDerWaalsContact C-N 3.33Å; R1071-F1073 CarbonylContact O-C 3.59Å; F1073-L1075 PolarHBondContact O-N 3.42Å; F1073-E1078 WeakPolarHBondContact CD1-OE1 3.19Å
1074	S	41.4	Very low	50.4	Low	51 Å²	51	76.1 Å²	76.1	36%	0.357	39%	0.389	S	S	.	.			trans	-65.2	86.5	175.4	178.9	0	0	0	0	107.4	K1072 D1076 M1077	K1072-S1074 PolarHBondContact O-N 3.49Å; S1074-D1076 PolarHBondContact O-N 3.04Å; S1074-D1076 VanDerWaalsContact O-N 3.14Å; S1074-M1077 PolarHBondContact O-N 3.22Å
1075	L	47.8	Very low	52.2	Low	18 Å²	18	77.1 Å²	77.1	9%	0.094	38%	0.381	C	S	.	.	H	α-helix	trans	-57.4	-23.9	179.1	-86.8	129	0	0	0	111.6	F1073 M1077 E1078 I1079 L1123	F1073-L1075 PolarHBondContact O-N 3.42Å; L1075-M1077 VanDerWaalsContact C-N 3.31Å; L1075-M1077 PolarHBondContact O-N 3.03Å; L1075-E1078 PolarHBondContact O-N 3.09Å; L1075-E1078 VanDerWaalsContact O-N 3.07Å; L1075-I1079 VanDerWaalsContact O-CG1 3.32Å; L1075-I1079 WeakPolarHBondContact O-CG1 3.19Å; L1075-I1079 PolarHBondContact O-N 2.89Å; L1075-L1123 HydrophobicContact CD2-CB 4.48Å; L1075-L1123 HydrophobicContact CD2-CD1 3.11Å; L1075-L1123 HydrophobicContact CD2-CD2 4.42Å; L1075-L1123 HydrophobicContact CD2-CG 3.42Å; L1075-L1123 VanDerWaalsContact CD2-CG 3.42Å
1076	D	47.6	Very low	53.9	Low	93 Å²	93	76.4 Å²	76.4	50%	0.497	39%	0.385	S	S	.	.	H	α-helix	trans	-59.7	-38.2	173.7	-60.8	-30.8	0	0	0	112.7	S1074 E1078 N1080	S1074-D1076 PolarHBondContact O-N 3.04Å; S1074-D1076 VanDerWaalsContact O-N 3.14Å; D1076-E1078 VanDerWaalsContact C-N 3.35Å; D1076-N1080 PolarHBondContact O-N 3.03Å
1077	M	46.7	Very low	55.4	Low	137 Å²	137	78 Å²	78	68%	0.675	39%	0.391	S	S	*	.	H	α-helix	trans	-67.8	-37	173.7	-75.4	-148.7	-73.9	0	0	111.6	S1074 L1075 E1081	S1074-M1077 PolarHBondContact O-N 3.22Å; L1075-M1077 VanDerWaalsContact C-N 3.31Å; L1075-M1077 PolarHBondContact O-N 3.03Å; M1077-E1081 WeakPolarHBondContact O-CG 3.43Å; M1077-E1081 PolarHBondContact O-N 3.37Å; M1077-E1081 VanDerWaalsContact O-N 3.14Å
1078	E	56.5	Low	57.1	Low	74 Å²	74	76.2 Å²	76.2	35%	0.346	38%	0.375	S	S	.	.	H	α-helix	trans	-70.1	-34.2	-179.8	-63.8	-179.9	164.3	0	0	112.3	F1073 L1075 D1076 E1081 I1082	F1073-E1078 WeakPolarHBondContact CD1-OE1 3.19Å; L1075-E1078 PolarHBondContact O-N 3.09Å; L1075-E1078 VanDerWaalsContact O-N 3.07Å; D1076-E1078 VanDerWaalsContact C-N 3.35Å; E1078-E1081 PolarHBondContact O-N 3.49Å; E1078-I1082 VanDerWaalsContact O-CG1 3.25Å; E1078-I1082 WeakPolarHBondContact O-CG1 3.5Å; E1078-I1082 PolarHBondContact O-N 3.23Å
1079	I	61.3	Low	59.2	Low	2 Å²	2	73.6 Å²	73.6	1%	0.01	35%	0.353	C	S	.	.	H	α-helix	trans	-60.3	-51.1	175.6	-69.9	162.6	0	0	0	111	L1075 E1081 I1082 M1083 P1122 L1123 V1126 L1149	L1075-I1079 VanDerWaalsContact O-CG1 3.32Å; L1075-I1079 WeakPolarHBondContact O-CG1 3.19Å; L1075-I1079 PolarHBondContact O-N 2.89Å; I1079-E1081 VanDerWaalsContact C-N 3.32Å; I1079-E1081 PolarHBondContact O-N 2.98Å; I1079-I1082 PolarHBondContact O-N 2.97Å; I1079-M1083 WeakPolarHBondContact O-CG 3.43Å; I1079-M1083 PolarHBondContact O-N 3.33Å; I1079-P1122 HydrophobicContact CD1-CB 3.36Å; I1079-P1122 HydrophobicContact CD1-CG 4.44Å; I1079-P1122 HydrophobicContact CG1-CB 4.36Å; I1079-L1123 HydrophobicContact CG1-CD2 3.94Å; I1079-V1126 HydrophobicContact CB-CG2 4.39Å; I1079-V1126 HydrophobicContact CG1-CG2 4.19Å; I1079-V1126 HydrophobicContact CG2-CG2 3.68Å; I1079-L1149 HydrophobicContact CG2-CD2 4.15Å
1080	N	68	Low	61.3	Low	38 Å²	38	71.5 Å²	71.5	20%	0.203	34%	0.339	C	S	.	.	H	α-helix	trans	-65	-40.5	-178.6	-69.5	-16.3	0	0	0	110.2	D1076 I1082 M1083 Y1084 Q1153	D1076-N1080 PolarHBondContact O-N 3.03Å; N1080-I1082 PolarHBondContact O-N 3.5Å; N1080-M1083 PolarHBondContact O-N 3.13Å; N1080-Y1084 HydrophobicContact CB-CD2 4.47Å; N1080-Y1084 WeakPolarHBondContact O-CB 3.43Å; N1080-Y1084 WeakPolarHBondContact O-CD2 3.41Å; N1080-Y1084 PolarHBondContact O-N 2.94Å; N1080-Q1153 PolarHBondContact OD1-NE2 3.47Å
1081	E	66.9	Low	63.5	Low	99 Å²	99	72.9 Å²	72.9	46%	0.463	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-42.5	175	-80.8	-67.6	162.4	0	0	113.1	M1077 E1078 I1079 M1083 Y1084 R1085	M1077-E1081 WeakPolarHBondContact O-CG 3.43Å; M1077-E1081 PolarHBondContact O-N 3.37Å; M1077-E1081 VanDerWaalsContact O-N 3.14Å; E1078-E1081 PolarHBondContact O-N 3.49Å; I1079-E1081 VanDerWaalsContact C-N 3.32Å; I1079-E1081 PolarHBondContact O-N 2.98Å; E1081-M1083 VanDerWaalsContact C-N 3.27Å; E1081-M1083 PolarHBondContact O-N 3.28Å; E1081-Y1084 PolarHBondContact O-N 2.88Å; E1081-R1085 WeakPolarHBondContact O-CB 3.4Å; E1081-R1085 VanDerWaalsContact O-CG 3.23Å; E1081-R1085 WeakPolarHBondContact O-CG 2.95Å; E1081-R1085 PolarHBondContact O-N 3.46Å; E1081-R1085 VanDerWaalsContact OE2-CD 3.31Å; E1081-R1085 WeakPolarHBondContact OE2-CD 3.46Å; E1081-R1085 WeakPolarHBondContact OE2-CG 2.84Å
1082	I	71.6	Confident	65.5	Low	17 Å²	17	66.3 Å²	66.3	9%	0.087	32%	0.323	C	S	.	.	H	α-helix	trans	-60.1	-40.9	176.4	-70.6	163.5	0	0	0	110.8	E1078 I1079 N1080 L1088 C1089 I1097 L1123 V1126 L1130	E1078-I1082 VanDerWaalsContact O-CG1 3.25Å; E1078-I1082 WeakPolarHBondContact O-CG1 3.5Å; E1078-I1082 PolarHBondContact O-N 3.23Å; I1079-I1082 PolarHBondContact O-N 2.97Å; N1080-I1082 PolarHBondContact O-N 3.5Å; I1082-L1088 HydrophobicContact CG2-CB 4.46Å; I1082-C1089 WeakPolarHBondContact O-CB 3.26Å; I1082-C1089 PolarHBondContact O-N 2.96Å; I1082-I1097 HydrophobicContact CD1-CD1 4.24Å; I1082-I1097 HydrophobicContact CG1-CD1 4.4Å; I1082-I1097 HydrophobicContact CG2-CD1 4.43Å; I1082-L1123 HydrophobicContact CD1-CD2 3.54Å; I1082-V1126 HydrophobicContact CG2-CG1 3.98Å; I1082-L1130 HydrophobicContact CG2-CD1 4.16Å
1083	M	79.7	Confident	67.4	Low	3 Å²	3	58.2 Å²	58.2	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-82.8	-23.1	-177.3	-65	-66.2	-72.1	0	0	113.7	I1079 N1080 E1081 V1126 L1129 L1130 L1156 L1157 N1159	I1079-M1083 WeakPolarHBondContact O-CG 3.43Å; I1079-M1083 PolarHBondContact O-N 3.33Å; N1080-M1083 PolarHBondContact O-N 3.13Å; E1081-M1083 VanDerWaalsContact C-N 3.27Å; E1081-M1083 PolarHBondContact O-N 3.28Å; M1083-V1126 HydrophobicContact CG-CG1 4.08Å; M1083-V1126 HydrophobicContact SD-CG1 3.75Å; M1083-L1129 HydrophobicContact CE-CD2 4.4Å; M1083-L1130 HydrophobicContact CE-CD2 4.49Å; M1083-L1130 HydrophobicContact SD-CD1 4.28Å; M1083-L1130 HydrophobicContact SD-CD2 3.93Å; M1083-L1130 HydrophobicContact SD-CG 4.21Å; M1083-L1156 HydrophobicContact CB-CB 3.73Å; M1083-L1156 HydrophobicContact CB-CD1 3.87Å; M1083-L1156 HydrophobicContact CB-CG 4.46Å; M1083-L1156 HydrophobicContact CE-CB 4.03Å; M1083-L1156 HydrophobicContact CG-CB 4.49Å; M1083-L1157 HydrophobicContact CE-CD2 4.08Å; M1083-L1157 HydrophobicContact CE-CG 3.96Å; M1083-N1159 WeakPolarHBondContact O-CB 3.33Å; M1083-N1159 PolarHBondContact O-ND2 3.08Å; M1083-N1159 VanDerWaalsContact O-ND2 3.11Å
1084	Y	75.8	Confident	69.5	Low	117 Å²	117	52 Å²	52	46%	0.459	26%	0.263	S	S	.	.	H	α-helix	trans	-85.6	-27.9	175.8	-93.2	-79.1	0	0	0	113.3	N1080 E1081 A1086 L1156	N1080-Y1084 HydrophobicContact CB-CD2 4.47Å; N1080-Y1084 WeakPolarHBondContact O-CB 3.43Å; N1080-Y1084 WeakPolarHBondContact O-CD2 3.41Å; N1080-Y1084 PolarHBondContact O-N 2.94Å; E1081-Y1084 PolarHBondContact O-N 2.88Å; Y1084-A1086 PolarHBondContact O-N 3.37Å; Y1084-L1156 HydrophobicContact CD2-CD1 3.93Å; Y1084-L1156 HydrophobicContact CD2-CD2 4.24Å; Y1084-L1156 HydrophobicContact CE1-CD2 4.21Å; Y1084-L1156 HydrophobicContact CE2-CD1 3.69Å; Y1084-L1156 HydrophobicContact CE2-CD2 3.57Å; Y1084-L1156 HydrophobicContact CE2-CG 4.3Å
1085	R	73	Confident	71.4	Confident	126 Å²	126	52.1 Å²	52.1	48%	0.475	26%	0.262	S	S	.	.			trans	-86	115.5	-176.5	-66.9	-173	91	170.9	11.1	111.7	E1081 N1087 L1088 C1089	E1081-R1085 WeakPolarHBondContact O-CB 3.4Å; E1081-R1085 VanDerWaalsContact O-CG 3.23Å; E1081-R1085 WeakPolarHBondContact O-CG 2.95Å; E1081-R1085 PolarHBondContact O-N 3.46Å; E1081-R1085 VanDerWaalsContact OE2-CD 3.31Å; E1081-R1085 WeakPolarHBondContact OE2-CD 3.46Å; E1081-R1085 WeakPolarHBondContact OE2-CG 2.84Å; R1085-N1087 WeakPolarHBondContact CB-OD1 3.43Å; R1085-N1087 PolarHBondContact O-N 2.95Å; R1085-N1087 VanDerWaalsContact O-N 3.08Å; R1085-L1088 HydrophobicContact CB-CB 4.3Å; R1085-L1088 HydrophobicContact CB-CD1 4.29Å; R1085-L1088 HydrophobicContact CB-CG 4.34Å; R1085-L1088 PolarHBondContact O-N 3.4Å; R1085-C1089 PolarHBondContact O-N 3.03Å
1086	A	71.1	Confident	72.7	Confident	53 Å²	53	59.5 Å²	59.5	44%	0.438	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-33	179.1	0	0	0	0	0	113.8	Y1084 T1161	Y1084-A1086 PolarHBondContact O-N 3.37Å; A1086-T1161 WeakPolarHBondContact CA-OG1 3.47Å; A1086-T1161 HydrophobicContact CB-CG2 4.45Å; A1086-T1161 WeakPolarHBondContact CB-OG1 3.41Å; A1086-T1161 WeakPolarHBondContact O-CB 3.42Å; A1086-T1161 PolarHBondContact O-OG1 3.45Å
1087	N	71.3	Confident	74.1	Confident	97 Å²	97	56.7 Å²	56.7	52%	0.519	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.2	178.5	65.9	-40.1	0	0	0	114.5	R1085 N1090 S1093	R1085-N1087 WeakPolarHBondContact CB-OD1 3.43Å; R1085-N1087 PolarHBondContact O-N 2.95Å; R1085-N1087 VanDerWaalsContact O-N 3.08Å; N1087-N1090 VanDerWaalsContact C-ND2 3.32Å; N1087-N1090 PolarHBondContact O-ND2 3.49Å; N1087-S1093 PolarHBondContact O-OG 3.25Å
1088	L	75	Confident	75.8	Confident	36 Å²	36	54.3 Å²	54.3	19%	0.188	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-29.2	179.3	-63.5	179.1	0	0	0	113.2	I1082 R1085 N1090 S1093	I1082-L1088 HydrophobicContact CG2-CB 4.46Å; R1085-L1088 HydrophobicContact CB-CB 4.3Å; R1085-L1088 HydrophobicContact CB-CD1 4.29Å; R1085-L1088 HydrophobicContact CB-CG 4.34Å; R1085-L1088 PolarHBondContact O-N 3.4Å; L1088-N1090 PolarHBondContact O-N 3.17Å; L1088-S1093 VanDerWaalsContact O-CB 3.25Å; L1088-S1093 WeakPolarHBondContact O-CB 3.47Å
1089	C	86.1	Confident	76.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-78	63.3	-179.3	-167.1	0	0	0	0	111.8	I1082 R1085 Y1160 T1161	I1082-C1089 WeakPolarHBondContact O-CB 3.26Å; I1082-C1089 PolarHBondContact O-N 2.96Å; R1085-C1089 PolarHBondContact O-N 3.03Å; C1089-Y1160 WeakPolarHBondContact O-CA 3.19Å; C1089-T1161 PolarHBondContact O-N 3.32Å
1090	N	85	Confident	77.5	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	28%	0.282	C	S	.	.	S	Bend	trans	-153.1	164.9	-178.2	57	62.3	0	0	0	112.4	N1087 L1088 T1092 S1093 A1094 T1161 M1163	N1087-N1090 VanDerWaalsContact C-ND2 3.32Å; N1087-N1090 PolarHBondContact O-ND2 3.49Å; L1088-N1090 PolarHBondContact O-N 3.17Å; N1090-T1092 PolarHBondContact O-N 3.16Å; N1090-T1092 PolarHBondContact OD1-OG1 3.37Å; N1090-S1093 WeakPolarHBondContact OD1-CB 3.4Å; N1090-S1093 PolarHBondContact OD1-N 3.09Å; N1090-S1093 PolarHBondContact OD1-OG 3.33Å; N1090-A1094 WeakPolarHBondContact O-CB 3.04Å; N1090-A1094 PolarHBondContact O-N 3.31Å; N1090-T1161 WeakPolarHBondContact CB-O 3.45Å; N1090-M1163 HydrophobicContact CB-CG 4.09Å
1091	F	86.9	Confident	78	Confident	69 Å²	69	58.3 Å²	58.3	30%	0.303	28%	0.276	S	S	.	.	H	α-helix	trans	-60.7	-44.5	-175.4	-179.3	-88.2	0	0	0	112.9	A1094 T1095 Q1131 Y1160 E1167	F1091-A1094 WeakPolarHBondContact O-CB 3.47Å; F1091-A1094 PolarHBondContact O-N 3.05Å; F1091-T1095 PolarHBondContact O-N 3.07Å; F1091-T1095 PolarHBondContact O-OG1 2.95Å; F1091-Q1131 HydrophobicContact CD2-CB 4.16Å; F1091-Q1131 HydrophobicContact CD2-CG 3.99Å; F1091-Q1131 HydrophobicContact CE2-CB 3.88Å; F1091-Q1131 HydrophobicContact CE2-CG 3.86Å; F1091-Q1131 HydrophobicContact CZ-CG 4.45Å; F1091-Y1160 WeakPolarHBondContact CB-OH 3.4Å; F1091-Y1160 PolarHBondContact N-OH 3.07Å; F1091-E1167 VanDerWaalsContact CB-CD 3.49Å; F1091-E1167 HydrophobicContact CB-CG 4.16Å; F1091-E1167 WeakPolarHBondContact CB-OE2 3.46Å; F1091-E1167 PolarHBondContact N-OE2 3.27Å
1092	T	82.5	Confident	78.7	Confident	46 Å²	46	56.1 Å²	56.1	28%	0.282	27%	0.272	S	S	.	.	H	α-helix	trans	-66.9	-41.5	-175	52.1	0	0	0	0	112.1	N1090 T1095 R1096 D1164	N1090-T1092 PolarHBondContact O-N 3.16Å; N1090-T1092 PolarHBondContact OD1-OG1 3.37Å; T1092-T1095 PolarHBondContact O-N 3.13Å; T1092-R1096 WeakPolarHBondContact O-CG 3.2Å; T1092-R1096 PolarHBondContact O-N 3.4Å; T1092-D1164 WeakPolarHBondContact CG2-OD2 3.44Å
1093	S	80.2	Confident	78.9	Confident	15 Å²	15	56.4 Å²	56.4	11%	0.105	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-43.8	174.6	-61.7	0	0	0	0	111.1	N1087 L1088 N1090 T1095 R1096 I1097	N1087-S1093 PolarHBondContact O-OG 3.25Å; L1088-S1093 VanDerWaalsContact O-CB 3.25Å; L1088-S1093 WeakPolarHBondContact O-CB 3.47Å; N1090-S1093 WeakPolarHBondContact OD1-CB 3.4Å; N1090-S1093 PolarHBondContact OD1-N 3.09Å; N1090-S1093 PolarHBondContact OD1-OG 3.33Å; S1093-T1095 VanDerWaalsContact C-N 3.29Å; S1093-T1095 PolarHBondContact O-N 2.99Å; S1093-R1096 PolarHBondContact O-N 3.01Å; S1093-R1096 VanDerWaalsContact O-N 3.14Å; S1093-I1097 VanDerWaalsContact O-CG1 3.25Å; S1093-I1097 WeakPolarHBondContact O-CG1 3.32Å; S1093-I1097 PolarHBondContact O-N 3.31Å
1094	A	84.2	Confident	78.5	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-57.3	-41.9	175.5	0	0	0	0	0	112.4	N1090 F1091 R1096 I1097 R1098 L1130 Q1131	N1090-A1094 WeakPolarHBondContact O-CB 3.04Å; N1090-A1094 PolarHBondContact O-N 3.31Å; F1091-A1094 WeakPolarHBondContact O-CB 3.47Å; F1091-A1094 PolarHBondContact O-N 3.05Å; A1094-R1096 VanDerWaalsContact C-N 3.35Å; A1094-R1096 PolarHBondContact O-N 2.82Å; A1094-I1097 PolarHBondContact O-N 3.28Å; A1094-R1098 WeakPolarHBondContact O-CB 3.44Å; A1094-R1098 PolarHBondContact O-N 3.35Å; A1094-L1130 HydrophobicContact CB-CB 3.44Å; A1094-L1130 VanDerWaalsContact CB-CB 3.44Å; A1094-L1130 HydrophobicContact CB-CD1 3.91Å; A1094-L1130 HydrophobicContact CB-CG 4.33Å; A1094-Q1131 VanDerWaalsContact C-NE2 3.3Å; A1094-Q1131 HydrophobicContact CB-CG 3.95Å; A1094-Q1131 PolarHBondContact O-NE2 3.46Å
1095	T	81.2	Confident	78.6	Confident	54 Å²	54	54 Å²	54	33%	0.331	27%	0.27	S	S	.	.	H	α-helix	trans	-62.7	-41.9	177.8	-56.9	0	0	0	0	111.8	F1091 T1092 S1093 H1099	F1091-T1095 PolarHBondContact O-N 3.07Å; F1091-T1095 PolarHBondContact O-OG1 2.95Å; T1092-T1095 PolarHBondContact O-N 3.13Å; S1093-T1095 VanDerWaalsContact C-N 3.29Å; S1093-T1095 PolarHBondContact O-N 2.99Å; T1095-H1099 PolarHBondContact O-N 2.62Å; T1095-H1099 VanDerWaalsContact O-N 3.14Å
1096	R	75.2	Confident	78.8	Confident	172 Å²	172	52 Å²	52	65%	0.649	28%	0.275	S	S	*	.	H	α-helix	trans	-67.8	-43.6	177.7	-69.8	171.1	61.5	-174.9	-4.4	112.3	T1092 S1093 A1094 H1099 N1100	T1092-R1096 WeakPolarHBondContact O-CG 3.2Å; T1092-R1096 PolarHBondContact O-N 3.4Å; S1093-R1096 PolarHBondContact O-N 3.01Å; S1093-R1096 VanDerWaalsContact O-N 3.14Å; A1094-R1096 VanDerWaalsContact C-N 3.35Å; A1094-R1096 PolarHBondContact O-N 2.82Å; R1096-H1099 PolarHBondContact O-N 3.25Å; R1096-N1100 PolarHBondContact O-N 3Å; R1096-N1100 PolarHBondContact O-ND2 2.86Å
1097	I	77.9	Confident	78.9	Confident	34 Å²	34	51.4 Å²	51.4	17%	0.174	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-47.2	178.1	-65.1	165.4	0	0	0	109.3	I1082 S1093 A1094 H1099 N1100 L1101 T1127	I1082-I1097 HydrophobicContact CD1-CD1 4.24Å; I1082-I1097 HydrophobicContact CG1-CD1 4.4Å; I1082-I1097 HydrophobicContact CG2-CD1 4.43Å; S1093-I1097 VanDerWaalsContact O-CG1 3.25Å; S1093-I1097 WeakPolarHBondContact O-CG1 3.32Å; S1093-I1097 PolarHBondContact O-N 3.31Å; A1094-I1097 PolarHBondContact O-N 3.28Å; I1097-H1099 VanDerWaalsContact C-N 3.33Å; I1097-H1099 PolarHBondContact O-N 2.85Å; I1097-N1100 WeakPolarHBondContact O-CB 3.5Å; I1097-N1100 PolarHBondContact O-N 2.91Å; I1097-N1100 VanDerWaalsContact O-N 3.11Å; I1097-L1101 HydrophobicContact CG2-CD1 3.83Å; I1097-L1101 HydrophobicContact CG2-CG 4.23Å; I1097-L1101 WeakPolarHBondContact O-CG 3.38Å; I1097-L1101 PolarHBondContact O-N 3.24Å; I1097-T1127 HydrophobicContact CB-CG2 3.75Å; I1097-T1127 HydrophobicContact CG2-CG2 3.52Å
1098	R	82.8	Confident	79	Confident	87 Å²	87	46.9 Å²	46.9	33%	0.328	24%	0.237	S	C	.	.	H	α-helix	trans	-58.1	-43.2	178.2	-168.8	174.4	71.9	-176.7	-0.2	112.6	A1094 N1100 L1101 S1102 F1124 T1127	A1094-R1098 WeakPolarHBondContact O-CB 3.44Å; A1094-R1098 PolarHBondContact O-N 3.35Å; R1098-N1100 VanDerWaalsContact C-N 3.33Å; R1098-N1100 PolarHBondContact O-N 3.18Å; R1098-L1101 PolarHBondContact O-N 3.38Å; R1098-S1102 PolarHBondContact O-N 2.84Å; R1098-S1102 PolarHBondContact O-OG 3.06Å; R1098-F1124 HydrophobicContact CG-CD1 4.22Å; R1098-F1124 HydrophobicContact CG-CE1 4.28Å; R1098-T1127 HydrophobicContact CB-CG2 4.36Å
1099	H	78.5	Confident	79.1	Confident	129 Å²	129	52.1 Å²	52.1	60%	0.597	25%	0.254	S	S	*	.	H	α-helix	trans	-59.6	-43.8	176.6	-179	76.2	0	0	0	112.2	T1095 R1096 I1097 A1103	T1095-H1099 PolarHBondContact O-N 2.62Å; T1095-H1099 VanDerWaalsContact O-N 3.14Å; R1096-H1099 PolarHBondContact O-N 3.25Å; I1097-H1099 VanDerWaalsContact C-N 3.33Å; I1097-H1099 PolarHBondContact O-N 2.85Å; H1099-A1103 PolarHBondContact O-N 3.14Å
1100	N	73.7	Confident	78.5	Confident	57 Å²	57	62.2 Å²	62.2	31%	0.305	29%	0.292	S	S	.	.	H	α-helix	trans	-64.8	-41.3	176.6	-68.8	-23.3	0	0	0	111.6	R1096 I1097 R1098 A1103 L1104 C1229	R1096-N1100 PolarHBondContact O-N 3Å; R1096-N1100 PolarHBondContact O-ND2 2.86Å; I1097-N1100 WeakPolarHBondContact O-CB 3.5Å; I1097-N1100 PolarHBondContact O-N 2.91Å; I1097-N1100 VanDerWaalsContact O-N 3.11Å; R1098-N1100 VanDerWaalsContact C-N 3.33Å; R1098-N1100 PolarHBondContact O-N 3.18Å; N1100-A1103 PolarHBondContact O-N 3.05Å; N1100-L1104 WeakPolarHBondContact O-CB 3.46Å; N1100-L1104 PolarHBondContact O-N 2.93Å; N1100-C1229 PolarHBondContact OD1-SG 3.07Å
1101	L	79.8	Confident	77.6	Confident	12 Å²	12	66.2 Å²	66.2	6%	0.063	31%	0.311	C	S	.	.	H	α-helix	trans	-63.6	-45.4	177.5	-69.2	170.2	0	0	0	112.2	I1097 R1098 A1103 L1104 E1105 L1120 L1123 F1124 T1127	I1097-L1101 HydrophobicContact CG2-CD1 3.83Å; I1097-L1101 HydrophobicContact CG2-CG 4.23Å; I1097-L1101 WeakPolarHBondContact O-CG 3.38Å; I1097-L1101 PolarHBondContact O-N 3.24Å; R1098-L1101 PolarHBondContact O-N 3.38Å; L1101-A1103 VanDerWaalsContact C-N 3.25Å; L1101-A1103 PolarHBondContact O-N 3.1Å; L1101-L1104 WeakPolarHBondContact O-CB 3.29Å; L1101-L1104 PolarHBondContact O-N 2.92Å; L1101-E1105 WeakPolarHBondContact O-CB 3.36Å; L1101-E1105 PolarHBondContact O-N 2.86Å; L1101-L1120 HydrophobicContact CD2-CD2 4.09Å; L1101-L1123 HydrophobicContact CD1-CB 3.63Å; L1101-L1123 HydrophobicContact CD1-CD1 4.36Å; L1101-L1123 HydrophobicContact CD2-CB 4.25Å; L1101-L1123 HydrophobicContact CD2-CD1 3.76Å; L1101-F1124 VanDerWaalsContact C-CZ 3.5Å; L1101-F1124 HydrophobicContact CB-CD1 4.21Å; L1101-F1124 HydrophobicContact CB-CE1 3.61Å; L1101-F1124 HydrophobicContact CB-CE2 4Å; L1101-F1124 HydrophobicContact CB-CZ 3.51Å; L1101-F1124 HydrophobicContact CD1-CD1 4.36Å; L1101-F1124 HydrophobicContact CD1-CG 4.45Å; L1101-T1127 HydrophobicContact CD1-CG2 4.26Å
1102	S	81.3	Confident	77.2	Confident	54 Å²	54	69.7 Å²	69.7	38%	0.378	33%	0.333	S	S	.	.	H	α-helix	trans	-60.5	-37.5	177	-62.6	0	0	0	0	112.3	R1098 C1106	R1098-S1102 PolarHBondContact O-N 2.84Å; R1098-S1102 PolarHBondContact O-OG 3.06Å; S1102-C1106 WeakPolarHBondContact O-CB 3.37Å; S1102-C1106 PolarHBondContact O-N 2.91Å
1103	A	75.6	Confident	76.6	Confident	23 Å²	23	70.1 Å²	70.1	19%	0.19	33%	0.331	C	S	.	.	H	α-helix	trans	-74.8	-34.5	179	0	0	0	0	0	111.9	H1099 N1100 L1101 W1107 F1225	H1099-A1103 PolarHBondContact O-N 3.14Å; N1100-A1103 PolarHBondContact O-N 3.05Å; L1101-A1103 VanDerWaalsContact C-N 3.25Å; L1101-A1103 PolarHBondContact O-N 3.1Å; A1103-W1107 PolarHBondContact O-N 3.08Å; A1103-W1107 VanDerWaalsContact O-N 3.11Å; A1103-F1225 HydrophobicContact CB-CD1 4.43Å; A1103-F1225 HydrophobicContact CB-CD2 4Å; A1103-F1225 HydrophobicContact CB-CE1 3.73Å; A1103-F1225 HydrophobicContact CB-CE2 3.23Å; A1103-F1225 HydrophobicContact CB-CZ 3.1Å
1104	L	71	Confident	76.4	Confident	37 Å²	37	73.5 Å²	73.5	19%	0.194	35%	0.35	C	S	.	.	H	α-helix	trans	-64.6	-44.9	169.7	175.4	64.8	0	0	0	111.4	N1100 L1101 C1106 W1107 L1108 L1120 M1226	N1100-L1104 WeakPolarHBondContact O-CB 3.46Å; N1100-L1104 PolarHBondContact O-N 2.93Å; L1101-L1104 WeakPolarHBondContact O-CB 3.29Å; L1101-L1104 PolarHBondContact O-N 2.92Å; L1104-C1106 PolarHBondContact O-N 3.19Å; L1104-W1107 HydrophobicContact CD1-CE3 4.5Å; L1104-W1107 WeakPolarHBondContact O-CB 3.29Å; L1104-W1107 PolarHBondContact O-N 2.98Å; L1104-W1107 VanDerWaalsContact O-N 3.16Å; L1104-L1108 HydrophobicContact CD1-CD1 4.47Å; L1104-L1108 HydrophobicContact CD1-CG 4.32Å; L1104-L1108 HydrophobicContact CG-CD1 4.19Å; L1104-L1108 HydrophobicContact CG-CG 4.46Å; L1104-L1108 WeakPolarHBondContact O-CG 3.3Å; L1104-L1108 PolarHBondContact O-N 2.99Å; L1104-L1120 HydrophobicContact CB-CD1 4.46Å; L1104-L1120 HydrophobicContact CD2-CD1 3.75Å; L1104-L1120 HydrophobicContact CD2-CD2 3.7Å; L1104-L1120 HydrophobicContact CD2-CG 4.38Å; L1104-L1120 HydrophobicContact CG-CD1 3.9Å; L1104-M1226 HydrophobicContact CB-CE 4.17Å; L1104-M1226 HydrophobicContact CD1-CE 3.25Å; L1104-M1226 HydrophobicContact CD1-SD 3.92Å; L1104-M1226 HydrophobicContact CG-CE 4.29Å
1105	E	77.4	Confident	75.7	Confident	33 Å²	33	81.9 Å²	81.9	15%	0.154	39%	0.389	C	S	.	.	H	α-helix	trans	-60.4	-45.5	177.1	-169.6	-169.1	-179.7	0	0	111.6	L1101 W1107 L1108 R1109 T1117 L1120 F1124	L1101-E1105 WeakPolarHBondContact O-CB 3.36Å; L1101-E1105 PolarHBondContact O-N 2.86Å; E1105-W1107 VanDerWaalsContact C-N 3.27Å; E1105-W1107 PolarHBondContact O-N 3.46Å; E1105-L1108 PolarHBondContact O-N 3.07Å; E1105-R1109 WeakPolarHBondContact O-CG 3.36Å; E1105-R1109 PolarHBondContact O-N 3.5Å; E1105-R1109 IonicContact OE1-CZ 2.8Å; E1105-R1109 IonicContact OE1-NE 2.73Å; E1105-R1109 PolarHBondContact OE1-NE 2.87Å; E1105-R1109 IonicContact OE1-NH2 3.28Å; E1105-R1109 PolarHBondContact OE1-NH2 3.19Å; E1105-T1117 HydrophobicContact CG-CG2 3.76Å; E1105-L1120 HydrophobicContact CB-CD1 4.39Å; E1105-F1124 HydrophobicContact CB-CE2 4.41Å; E1105-F1124 HydrophobicContact CB-CZ 4.3Å
1106	C	77.2	Confident	74.9	Confident	84 Å²	84	79.9 Å²	79.9	57%	0.568	38%	0.379	S	S	*	.	H	α-helix	trans	-59.4	-40	175.6	-172.6	0	0	0	0	111.7	S1102 L1104 R1110	S1102-C1106 WeakPolarHBondContact O-CB 3.37Å; S1102-C1106 PolarHBondContact O-N 2.91Å; L1104-C1106 PolarHBondContact O-N 3.19Å; C1106-R1110 WeakPolarHBondContact O-CB 3.33Å; C1106-R1110 PolarHBondContact O-N 2.81Å
1107	W	74.8	Confident	74.7	Confident	40 Å²	40	72.6 Å²	72.6	15%	0.152	35%	0.353	C	S	.	.	H	α-helix	trans	-66.3	-46.9	175.6	-176.7	83	0	0	0	112	A1103 L1104 E1105 R1109 R1110 H1111 F1113 P1223	A1103-W1107 PolarHBondContact O-N 3.08Å; A1103-W1107 VanDerWaalsContact O-N 3.11Å; L1104-W1107 HydrophobicContact CD1-CE3 4.5Å; L1104-W1107 WeakPolarHBondContact O-CB 3.29Å; L1104-W1107 PolarHBondContact O-N 2.98Å; L1104-W1107 VanDerWaalsContact O-N 3.16Å; E1105-W1107 VanDerWaalsContact C-N 3.27Å; E1105-W1107 PolarHBondContact O-N 3.46Å; W1107-R1109 VanDerWaalsContact C-N 3.34Å; W1107-R1109 PolarHBondContact O-N 2.82Å; W1107-R1110 PolarHBondContact O-N 3.5Å; W1107-R1110 VanDerWaalsContact O-N 3.13Å; W1107-H1111 AromaticContact CD1-CD2 3.55Å; W1107-H1111 AromaticContact CD1-NE2 3.67Å; W1107-H1111 AromaticContact CD2-CD2 3.79Å; W1107-H1111 AromaticContact CE2-CD2 3.3Å; W1107-H1111 AromaticContact CE2-NE2 3.64Å; W1107-H1111 AromaticContact CG-CD2 3.95Å; W1107-H1111 AromaticContact CZ2-CD2 3.76Å; W1107-H1111 AromaticContact NE1-CD2 3.14Å; W1107-H1111 PolarHBondContact NE1-CD2 3.45Å; W1107-H1111 AromaticContact NE1-NE2 3.07Å; W1107-H1111 PolarHBondContact NE1-NE2 3.15Å; W1107-H1111 PolarHBondContact O-CD2 3.2Å; W1107-H1111 PolarHBondContact O-N 3.37Å; W1107-F1113 HydrophobicContact CH2-CE2 4.47Å; W1107-F1113 HydrophobicContact CZ3-CD2 4.42Å; W1107-P1223 HydrophobicContact CB-CG 4.23Å; W1107-P1223 VanDerWaalsContact CD1-CG 3.44Å; W1107-P1223 HydrophobicContact CD2-CG 4.44Å; W1107-P1223 HydrophobicContact CG-CG 3.77Å
1108	L	71.9	Confident	74.4	Confident	2 Å²	2	73 Å²	73	1%	0.01	37%	0.366	C	S	.	.	H	α-helix	trans	-57.3	-46.2	176.6	-71.8	172.4	0	0	0	111.3	L1070 L1104 E1105 R1110 H1111 N1112 F1113 A1116 T1117 L1120	L1070-L1108 HydrophobicContact CD1-CD2 4.43Å; L1104-L1108 HydrophobicContact CD1-CD1 4.47Å; L1104-L1108 HydrophobicContact CD1-CG 4.32Å; L1104-L1108 HydrophobicContact CG-CD1 4.19Å; L1104-L1108 HydrophobicContact CG-CG 4.46Å; L1104-L1108 WeakPolarHBondContact O-CG 3.3Å; L1104-L1108 PolarHBondContact O-N 2.99Å; E1105-L1108 PolarHBondContact O-N 3.07Å; L1108-R1110 PolarHBondContact O-N 2.89Å; L1108-H1111 CarbonylContact O-C 3.55Å; L1108-H1111 PolarHBondContact O-N 3.45Å; L1108-N1112 PolarHBondContact O-N 2.59Å; L1108-F1113 HydrophobicContact CB-CB 4.29Å; L1108-F1113 HydrophobicContact CD2-CB 3.79Å; L1108-F1113 HydrophobicContact CD2-CD2 4.44Å; L1108-F1113 HydrophobicContact CD2-CG 4.43Å; L1108-F1113 PolarHBondContact O-N 3.16Å; L1108-A1116 HydrophobicContact CD1-CB 4.15Å; L1108-A1116 HydrophobicContact CD2-CB 4.04Å; L1108-T1117 HydrophobicContact CB-CG2 3.76Å; L1108-T1117 HydrophobicContact CD1-CG2 4.1Å; L1108-L1120 HydrophobicContact CD1-CD1 3.73Å; L1108-L1120 HydrophobicContact CD1-CG 4.47Å
1109	R	77.6	Confident	73.9	Confident	145 Å²	145	70.7 Å²	70.7	55%	0.547	36%	0.362	S	S	.	.	H	α-helix	trans	-62.2	-40.8	175.9	-69.5	-175.2	-171.2	-157.8	4.5	112.3	E1105 W1107 H1111 N1112 T1117	E1105-R1109 WeakPolarHBondContact O-CG 3.36Å; E1105-R1109 PolarHBondContact O-N 3.5Å; E1105-R1109 IonicContact OE1-CZ 2.8Å; E1105-R1109 IonicContact OE1-NE 2.73Å; E1105-R1109 PolarHBondContact OE1-NE 2.87Å; E1105-R1109 IonicContact OE1-NH2 3.28Å; E1105-R1109 PolarHBondContact OE1-NH2 3.19Å; W1107-R1109 VanDerWaalsContact C-N 3.34Å; W1107-R1109 PolarHBondContact O-N 2.82Å; R1109-H1111 VanDerWaalsContact C-N 3.29Å; R1109-H1111 PolarHBondContact O-N 3.09Å; R1109-N1112 PolarHBondContact O-N 3.23Å; R1109-T1117 HydrophobicContact CG-CG2 4.06Å
1110	R	73.5	Confident	73.6	Confident	213 Å²	213	64.8 Å²	64.8	80%	0.804	34%	0.335	S	S	*	.	H	α-helix	trans	-68.9	-26.2	-179.6	-174.5	152.8	177.5	90.3	-0.1	113.5	C1106 W1107 L1108	C1106-R1110 WeakPolarHBondContact O-CB 3.33Å; C1106-R1110 PolarHBondContact O-N 2.81Å; W1107-R1110 PolarHBondContact O-N 3.5Å; W1107-R1110 VanDerWaalsContact O-N 3.13Å; L1108-R1110 PolarHBondContact O-N 2.89Å
1111	H	66.7	Low	74	Confident	85 Å²	85	66 Å²	66	39%	0.394	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	17.9	175.7	-72.2	-82.6	0	0	0	113.4	W1107 L1108 R1109 F1113	W1107-H1111 AromaticContact CD1-CD2 3.55Å; W1107-H1111 AromaticContact CD1-NE2 3.67Å; W1107-H1111 AromaticContact CD2-CD2 3.79Å; W1107-H1111 AromaticContact CE2-CD2 3.3Å; W1107-H1111 AromaticContact CE2-NE2 3.64Å; W1107-H1111 AromaticContact CG-CD2 3.95Å; W1107-H1111 AromaticContact CZ2-CD2 3.76Å; W1107-H1111 AromaticContact NE1-CD2 3.14Å; W1107-H1111 PolarHBondContact NE1-CD2 3.45Å; W1107-H1111 AromaticContact NE1-NE2 3.07Å; W1107-H1111 PolarHBondContact NE1-NE2 3.15Å; W1107-H1111 PolarHBondContact O-CD2 3.2Å; W1107-H1111 PolarHBondContact O-N 3.37Å; L1108-H1111 CarbonylContact O-C 3.55Å; L1108-H1111 PolarHBondContact O-N 3.45Å; R1109-H1111 VanDerWaalsContact C-N 3.29Å; R1109-H1111 PolarHBondContact O-N 3.09Å; H1111-F1113 HydrophobicContact CB-CD2 3.63Å; H1111-F1113 HydrophobicContact CB-CE2 3.71Å; H1111-F1113 WeakPolarHBondContact O-CD2 3.06Å; H1111-F1113 PolarHBondContact O-N 3.17Å
1112	N	78.2	Confident	73.9	Confident	142 Å²	142	66.6 Å²	66.6	76%	0.759	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	23.2	179.8	-70.2	-14.7	0	0	0	115.4	L1108 R1109 V1114	L1108-N1112 PolarHBondContact O-N 2.59Å; R1109-N1112 PolarHBondContact O-N 3.23Å; N1112-V1114 PolarHBondContact O-N 3.12Å
1113	F	70.8	Confident	73.7	Confident	55 Å²	55	64.5 Å²	64.5	24%	0.241	33%	0.328	C	S	.	.			trans	-90.4	49.7	171.2	-61.5	-67.7	0	0	0	111.4	L1065 W1107 L1108 H1111 E1115 A1116	L1065-F1113 HydrophobicContact CB-CE1 3.97Å; L1065-F1113 HydrophobicContact CB-CZ 4.08Å; L1065-F1113 HydrophobicContact CD1-CZ 4.3Å; W1107-F1113 HydrophobicContact CH2-CE2 4.47Å; W1107-F1113 HydrophobicContact CZ3-CD2 4.42Å; L1108-F1113 HydrophobicContact CB-CB 4.29Å; L1108-F1113 HydrophobicContact CD2-CB 3.79Å; L1108-F1113 HydrophobicContact CD2-CD2 4.44Å; L1108-F1113 HydrophobicContact CD2-CG 4.43Å; L1108-F1113 PolarHBondContact O-N 3.16Å; H1111-F1113 HydrophobicContact CB-CD2 3.63Å; H1111-F1113 HydrophobicContact CB-CE2 3.71Å; H1111-F1113 WeakPolarHBondContact O-CD2 3.06Å; H1111-F1113 PolarHBondContact O-N 3.17Å; F1113-E1115 VanDerWaalsContact C-N 3.27Å; F1113-E1115 PolarHBondContact O-N 3.32Å; F1113-A1116 HydrophobicContact CB-CB 4.22Å; F1113-A1116 WeakPolarHBondContact O-CB 3.32Å; F1113-A1116 PolarHBondContact O-N 3.5Å; F1113-A1116 VanDerWaalsContact O-N 3.13Å
1114	V	75.8	Confident	74.2	Confident	86 Å²	86	64.9 Å²	64.9	52%	0.521	33%	0.325	S	S	.	.	H	α-helix	trans	-63.2	-34.7	-175.4	-175.5	0	0	0	0	111.3	N1112 A1116 T1117	N1112-V1114 PolarHBondContact O-N 3.12Å; V1114-A1116 PolarHBondContact O-N 3.4Å; V1114-T1117 PolarHBondContact O-N 3.18Å; V1114-T1117 VanDerWaalsContact O-N 3.12Å; V1114-T1117 PolarHBondContact O-OG1 3.37Å
1115	E	68.2	Low	75	Confident	175 Å²	175	63.7 Å²	63.7	82%	0.818	32%	0.318	S	S	*	.	H	α-helix	trans	-62.4	-31.3	176.9	-64.5	167.2	-179.4	0	0	112.7	F1113 T1117 G1118	F1113-E1115 VanDerWaalsContact C-N 3.27Å; F1113-E1115 PolarHBondContact O-N 3.32Å; E1115-T1117 VanDerWaalsContact C-N 3.31Å; E1115-T1117 PolarHBondContact O-N 3.07Å; E1115-G1118 PolarHBondContact O-N 3.18Å
1116	A	65.4	Low	75.5	Confident	13 Å²	13	62.1 Å²	62.1	11%	0.107	31%	0.311	C	S	.	.	H	α-helix	trans	-73.1	-22.2	178.4	0	0	0	0	0	112.7	L1070 L1108 F1113 V1114 G1118 T1119	L1070-A1116 HydrophobicContact CD1-CB 3.9Å; L1108-A1116 HydrophobicContact CD1-CB 4.15Å; L1108-A1116 HydrophobicContact CD2-CB 4.04Å; F1113-A1116 HydrophobicContact CB-CB 4.22Å; F1113-A1116 WeakPolarHBondContact O-CB 3.32Å; F1113-A1116 PolarHBondContact O-N 3.5Å; F1113-A1116 VanDerWaalsContact O-N 3.13Å; V1114-A1116 PolarHBondContact O-N 3.4Å; A1116-G1118 PolarHBondContact O-N 3.4Å; A1116-T1119 PolarHBondContact O-N 2.81Å; A1116-T1119 VanDerWaalsContact O-N 3.1Å; A1116-T1119 PolarHBondContact O-OG1 2.89Å
1117	T	70	Confident	75.9	Confident	18 Å²	18	58.2 Å²	58.2	11%	0.11	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-27.1	178.7	63.3	0	0	0	0	112	E1105 L1108 R1109 V1114 E1115 T1119 L1120	E1105-T1117 HydrophobicContact CG-CG2 3.76Å; L1108-T1117 HydrophobicContact CB-CG2 3.76Å; L1108-T1117 HydrophobicContact CD1-CG2 4.1Å; R1109-T1117 HydrophobicContact CG-CG2 4.06Å; V1114-T1117 PolarHBondContact O-N 3.18Å; V1114-T1117 VanDerWaalsContact O-N 3.12Å; V1114-T1117 PolarHBondContact O-OG1 3.37Å; E1115-T1117 VanDerWaalsContact C-N 3.31Å; E1115-T1117 PolarHBondContact O-N 3.07Å; T1117-T1119 VanDerWaalsContact C-N 3.26Å; T1117-T1119 PolarHBondContact O-N 3.29Å; T1117-L1120 PolarHBondContact O-N 2.86Å
1118	G	72.8	Confident	76.5	Confident	44 Å²	44	59.4 Å²	59.4	45%	0.454	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-61.3	-32.6	174	0	0	0	0	0	113.3	E1115 A1116 L1120 Q1121	E1115-G1118 PolarHBondContact O-N 3.18Å; A1116-G1118 PolarHBondContact O-N 3.4Å; G1118-L1120 PolarHBondContact O-N 3.08Å; G1118-Q1121 WeakPolarHBondContact O-CB 3.27Å; G1118-Q1121 PolarHBondContact O-N 3.27Å
1119	T	71	Confident	77.2	Confident	38 Å²	38	59.3 Å²	59.3	23%	0.233	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-68.2	-22.1	178.6	64.5	0	0	0	0	113.3	A1116 T1117 Q1121	A1116-T1119 PolarHBondContact O-N 2.81Å; A1116-T1119 VanDerWaalsContact O-N 3.1Å; A1116-T1119 PolarHBondContact O-OG1 2.89Å; T1117-T1119 VanDerWaalsContact C-N 3.26Å; T1117-T1119 PolarHBondContact O-N 3.29Å; T1119-Q1121 VanDerWaalsContact C-N 3.35Å
1120	L	73.3	Confident	77.7	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.026	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-82.9	-12.3	178.5	-57.7	178.9	0	0	0	113.1	L1101 L1104 E1105 L1108 T1117 G1118 L1123 F1124	L1101-L1120 HydrophobicContact CD2-CD2 4.09Å; L1104-L1120 HydrophobicContact CB-CD1 4.46Å; L1104-L1120 HydrophobicContact CD2-CD1 3.75Å; L1104-L1120 HydrophobicContact CD2-CD2 3.7Å; L1104-L1120 HydrophobicContact CD2-CG 4.38Å; L1104-L1120 HydrophobicContact CG-CD1 3.9Å; E1105-L1120 HydrophobicContact CB-CD1 4.39Å; L1108-L1120 HydrophobicContact CD1-CD1 3.73Å; L1108-L1120 HydrophobicContact CD1-CG 4.47Å; T1117-L1120 PolarHBondContact O-N 2.86Å; G1118-L1120 PolarHBondContact O-N 3.08Å; L1120-L1123 PolarHBondContact O-N 3.29Å; L1120-F1124 HydrophobicContact CB-CD2 4.05Å; L1120-F1124 HydrophobicContact CB-CE2 3.97Å; L1120-F1124 WeakPolarHBondContact O-CD2 3.02Å; L1120-F1124 PolarHBondContact O-N 3.29Å; L1120-F1124 VanDerWaalsContact O-N 3.08Å
1121	Q	80.9	Confident	78.3	Confident	83 Å²	83	43.6 Å²	43.6	39%	0.388	23%	0.233	S	C	.	.	H	α-helix	trans	-54.6	-49.8	-174.7	-81.7	-66.9	-33.4	0	0	113.3	G1118 T1119 L1123 F1124 Q1125	G1118-Q1121 WeakPolarHBondContact O-CB 3.27Å; G1118-Q1121 PolarHBondContact O-N 3.27Å; T1119-Q1121 VanDerWaalsContact C-N 3.35Å; Q1121-L1123 VanDerWaalsContact C-N 3.3Å; Q1121-L1123 PolarHBondContact O-N 2.97Å; Q1121-F1124 WeakPolarHBondContact O-CB 3.47Å; Q1121-F1124 PolarHBondContact O-N 3.34Å; Q1121-Q1125 WeakPolarHBondContact O-CG 3.2Å; Q1121-Q1125 PolarHBondContact O-N 3.15Å
1122	P	77.7	Confident	79.1	Confident	24 Å²	24	40.7 Å²	40.7	16%	0.156	22%	0.221	C	C	.	.	H	α-helix	trans	-58.1	-40	-179.8	-26.1	36.2	0	0	0	113.3	I1079 Q1125 V1126 C1148	I1079-P1122 HydrophobicContact CD1-CB 3.36Å; I1079-P1122 HydrophobicContact CD1-CG 4.44Å; I1079-P1122 HydrophobicContact CG1-CB 4.36Å; P1122-Q1125 WeakPolarHBondContact O-CB 3.27Å; P1122-Q1125 PolarHBondContact O-N 3.08Å; P1122-V1126 WeakPolarHBondContact O-CG2 3.37Å; P1122-V1126 PolarHBondContact O-N 3.15Å; P1122-C1148 HydrophobicContact CB-CB 4.48Å; P1122-C1148 HydrophobicContact CG-CB 4.23Å
1123	L	78.3	Confident	79.2	Confident	10 Å²	10	42.9 Å²	42.9	5%	0.052	22%	0.219	C	C	.	.	H	α-helix	trans	-66.3	-39.7	175.7	-76.8	-173.8	0	0	0	112.7	L1075 I1079 I1082 L1101 L1120 Q1121 Q1125 V1126 T1127	L1075-L1123 HydrophobicContact CD2-CB 4.48Å; L1075-L1123 HydrophobicContact CD2-CD1 3.11Å; L1075-L1123 HydrophobicContact CD2-CD2 4.42Å; L1075-L1123 HydrophobicContact CD2-CG 3.42Å; L1075-L1123 VanDerWaalsContact CD2-CG 3.42Å; I1079-L1123 HydrophobicContact CG1-CD2 3.94Å; I1082-L1123 HydrophobicContact CD1-CD2 3.54Å; L1101-L1123 HydrophobicContact CD1-CB 3.63Å; L1101-L1123 HydrophobicContact CD1-CD1 4.36Å; L1101-L1123 HydrophobicContact CD2-CB 4.25Å; L1101-L1123 HydrophobicContact CD2-CD1 3.76Å; L1120-L1123 PolarHBondContact O-N 3.29Å; Q1121-L1123 VanDerWaalsContact C-N 3.3Å; Q1121-L1123 PolarHBondContact O-N 2.97Å; L1123-Q1125 PolarHBondContact O-N 3.16Å; L1123-V1126 PolarHBondContact O-N 3.11Å; L1123-T1127 WeakPolarHBondContact O-CG2 3.22Å; L1123-T1127 PolarHBondContact O-N 2.92Å; L1123-T1127 PolarHBondContact O-OG1 2.9Å
1124	F	85.7	Confident	79.8	Confident	31 Å²	31	41.6 Å²	41.6	14%	0.136	21%	0.213	C	C	.	.	H	α-helix	trans	-56.8	-42.4	172.8	-85.2	-67.9	0	0	0	110.7	R1098 L1101 E1105 L1120 Q1121 T1127 H1128	R1098-F1124 HydrophobicContact CG-CD1 4.22Å; R1098-F1124 HydrophobicContact CG-CE1 4.28Å; L1101-F1124 VanDerWaalsContact C-CZ 3.5Å; L1101-F1124 HydrophobicContact CB-CD1 4.21Å; L1101-F1124 HydrophobicContact CB-CE1 3.61Å; L1101-F1124 HydrophobicContact CB-CE2 4Å; L1101-F1124 HydrophobicContact CB-CZ 3.51Å; L1101-F1124 HydrophobicContact CD1-CD1 4.36Å; L1101-F1124 HydrophobicContact CD1-CG 4.45Å; E1105-F1124 HydrophobicContact CB-CE2 4.41Å; E1105-F1124 HydrophobicContact CB-CZ 4.3Å; L1120-F1124 HydrophobicContact CB-CD2 4.05Å; L1120-F1124 HydrophobicContact CB-CE2 3.97Å; L1120-F1124 WeakPolarHBondContact O-CD2 3.02Å; L1120-F1124 PolarHBondContact O-N 3.29Å; L1120-F1124 VanDerWaalsContact O-N 3.08Å; Q1121-F1124 WeakPolarHBondContact O-CB 3.47Å; Q1121-F1124 PolarHBondContact O-N 3.34Å; F1124-T1127 PolarHBondContact O-N 3.5Å; F1124-T1127 PolarHBondContact O-OG1 3.37Å; F1124-H1128 WeakPolarHBondContact O-CB 3.36Å; F1124-H1128 PolarHBondContact O-N 2.82Å
1125	Q	88.4	Confident	80	Confident	11 Å²	11	41.2 Å²	41.2	5%	0.051	21%	0.208	C	C	.	.	H	α-helix	trans	-67.3	-42.9	179	-61.7	-171.9	5.8	0	0	113.2	Q1121 P1122 L1123 T1127 H1128 L1129 M1145 N1147 C1148 L1149	Q1121-Q1125 WeakPolarHBondContact O-CG 3.2Å; Q1121-Q1125 PolarHBondContact O-N 3.15Å; P1122-Q1125 WeakPolarHBondContact O-CB 3.27Å; P1122-Q1125 PolarHBondContact O-N 3.08Å; L1123-Q1125 PolarHBondContact O-N 3.16Å; Q1125-T1127 VanDerWaalsContact C-N 3.34Å; Q1125-T1127 PolarHBondContact O-N 3.2Å; Q1125-H1128 WeakPolarHBondContact O-CA 3.28Å; Q1125-H1128 WeakPolarHBondContact O-CB 3.44Å; Q1125-H1128 PolarHBondContact O-N 2.81Å; Q1125-H1128 VanDerWaalsContact O-N 3.09Å; Q1125-L1129 WeakPolarHBondContact O-CB 3.27Å; Q1125-L1129 PolarHBondContact O-N 3.36Å; Q1125-M1145 VanDerWaalsContact CD-O 3.26Å; Q1125-M1145 WeakPolarHBondContact CG-O 3.47Å; Q1125-N1147 PolarHBondContact NE2-OD1 3.31Å; Q1125-N1147 VanDerWaalsContact OE1-N 3.12Å; Q1125-C1148 PolarHBondContact NE2-SG 3.31Å; Q1125-C1148 VanDerWaalsContact OE1-CB 3.25Å; Q1125-L1149 HydrophobicContact CB-CD1 4.19Å; Q1125-L1149 HydrophobicContact CB-CG 4.25Å
1126	V	86.4	Confident	80.5	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-57.8	-48.2	172.8	176.1	0	0	0	0	110.7	I1079 I1082 M1083 P1122 L1123 H1128 L1129 L1130 L1149	I1079-V1126 HydrophobicContact CB-CG2 4.39Å; I1079-V1126 HydrophobicContact CG1-CG2 4.19Å; I1079-V1126 HydrophobicContact CG2-CG2 3.68Å; I1082-V1126 HydrophobicContact CG2-CG1 3.98Å; M1083-V1126 HydrophobicContact CG-CG1 4.08Å; M1083-V1126 HydrophobicContact SD-CG1 3.75Å; P1122-V1126 WeakPolarHBondContact O-CG2 3.37Å; P1122-V1126 PolarHBondContact O-N 3.15Å; L1123-V1126 PolarHBondContact O-N 3.11Å; V1126-H1128 PolarHBondContact O-N 2.76Å; V1126-L1129 PolarHBondContact O-N 3.35Å; V1126-L1130 HydrophobicContact CG1-CD1 4.08Å; V1126-L1130 HydrophobicContact CG1-CG 4.45Å; V1126-L1130 WeakPolarHBondContact O-CG 3.24Å; V1126-L1130 PolarHBondContact O-N 2.94Å; V1126-L1149 HydrophobicContact CG2-CD1 3.95Å; V1126-L1149 HydrophobicContact CG2-CD2 3.63Å; V1126-L1149 HydrophobicContact CG2-CG 4.43Å
1127	T	85.6	Confident	81.1	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-65.4	-27.8	179.1	63.9	0	0	0	0	112.5	I1097 R1098 L1101 L1123 F1124 Q1125 Q1131	I1097-T1127 HydrophobicContact CB-CG2 3.75Å; I1097-T1127 HydrophobicContact CG2-CG2 3.52Å; R1098-T1127 HydrophobicContact CB-CG2 4.36Å; L1101-T1127 HydrophobicContact CD1-CG2 4.26Å; L1123-T1127 WeakPolarHBondContact O-CG2 3.22Å; L1123-T1127 PolarHBondContact O-N 2.92Å; L1123-T1127 PolarHBondContact O-OG1 2.9Å; F1124-T1127 PolarHBondContact O-N 3.5Å; F1124-T1127 PolarHBondContact O-OG1 3.37Å; Q1125-T1127 VanDerWaalsContact C-N 3.34Å; Q1125-T1127 PolarHBondContact O-N 3.2Å; T1127-Q1131 WeakPolarHBondContact O-CB 3.34Å; T1127-Q1131 WeakPolarHBondContact O-CG 3.49Å; T1127-Q1131 PolarHBondContact O-N 3.4Å; T1127-Q1131 PolarHBondContact O-NE2 2.86Å; T1127-Q1131 VanDerWaalsContact O-NE2 3.1Å
1128	H	87.5	Confident	81.4	Confident	65 Å²	65	49 Å²	49	30%	0.301	24%	0.24	S	C	.	.	H	α-helix	trans	-70.8	-50.7	174.3	-150.9	95.5	0	0	0	110.8	F1124 Q1125 V1126 L1130 Q1131 T1132 M1145	F1124-H1128 WeakPolarHBondContact O-CB 3.36Å; F1124-H1128 PolarHBondContact O-N 2.82Å; Q1125-H1128 WeakPolarHBondContact O-CA 3.28Å; Q1125-H1128 WeakPolarHBondContact O-CB 3.44Å; Q1125-H1128 PolarHBondContact O-N 2.81Å; Q1125-H1128 VanDerWaalsContact O-N 3.09Å; V1126-H1128 PolarHBondContact O-N 2.76Å; H1128-L1130 VanDerWaalsContact C-N 3.27Å; H1128-L1130 PolarHBondContact O-N 3.34Å; H1128-Q1131 CarbonylContact O-C 3.5Å; H1128-Q1131 WeakPolarHBondContact O-CA 3.28Å; H1128-Q1131 PolarHBondContact O-N 3.03Å; H1128-T1132 WeakPolarHBondContact O-CG2 3.45Å; H1128-T1132 PolarHBondContact O-N 3.3Å; H1128-M1145 VanDerWaalsContact CD2-CE 3.48Å; H1128-M1145 WeakPolarHBondContact CD2-CE 3.46Å; H1128-M1145 PolarHBondContact CD2-SD 2.7Å; H1128-M1145 WeakPolarHBondContact NE2-CE 3.28Å; H1128-M1145 PolarHBondContact NE2-SD 3.46Å
1129	L	88.1	Confident	81.6	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-55.1	-41.3	176.8	-175.3	66.1	0	0	0	112.4	M1083 Q1125 V1126 Q1131 T1132 W1142 L1149 V1154 L1157	M1083-L1129 HydrophobicContact CE-CD2 4.4Å; Q1125-L1129 WeakPolarHBondContact O-CB 3.27Å; Q1125-L1129 PolarHBondContact O-N 3.36Å; V1126-L1129 PolarHBondContact O-N 3.35Å; L1129-Q1131 PolarHBondContact O-N 3.31Å; L1129-T1132 PolarHBondContact O-OG1 3.49Å; L1129-W1142 HydrophobicContact CD1-CD2 3.77Å; L1129-W1142 HydrophobicContact CD1-CE3 3.49Å; L1129-W1142 VanDerWaalsContact CD1-CE3 3.49Å; L1129-W1142 HydrophobicContact CD1-CG 4.4Å; L1129-W1142 HydrophobicContact CD1-CH2 4.13Å; L1129-W1142 HydrophobicContact CD1-CZ2 4.41Å; L1129-W1142 HydrophobicContact CD1-CZ3 3.68Å; L1129-L1149 HydrophobicContact CD2-CD1 4.19Å; L1129-V1154 HydrophobicContact CD1-CG1 4.45Å; L1129-V1154 HydrophobicContact CD2-CB 4.48Å; L1129-V1154 HydrophobicContact CD2-CG1 4.18Å; L1129-V1154 HydrophobicContact CD2-CG2 4.32Å; L1129-L1157 HydrophobicContact CD1-CD1 3.91Å; L1129-L1157 HydrophobicContact CD2-CD1 3.91Å; L1129-L1157 HydrophobicContact CD2-CD2 4.38Å; L1129-L1157 HydrophobicContact CD2-CG 4.03Å; L1129-L1157 HydrophobicContact CG-CD1 3.88Å; L1129-L1157 HydrophobicContact CG-CD2 4.26Å; L1129-L1157 HydrophobicContact CG-CG 4.28Å
1130	L	87.3	Confident	81.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70.6	-20.3	176.5	-68.3	177.5	0	0	0	112.9	I1082 M1083 A1094 V1126 H1128 K1134 L1157 Y1160	I1082-L1130 HydrophobicContact CG2-CD1 4.16Å; M1083-L1130 HydrophobicContact CE-CD2 4.49Å; M1083-L1130 HydrophobicContact SD-CD1 4.28Å; M1083-L1130 HydrophobicContact SD-CD2 3.93Å; M1083-L1130 HydrophobicContact SD-CG 4.21Å; A1094-L1130 HydrophobicContact CB-CB 3.44Å; A1094-L1130 VanDerWaalsContact CB-CB 3.44Å; A1094-L1130 HydrophobicContact CB-CD1 3.91Å; A1094-L1130 HydrophobicContact CB-CG 4.33Å; V1126-L1130 HydrophobicContact CG1-CD1 4.08Å; V1126-L1130 HydrophobicContact CG1-CG 4.45Å; V1126-L1130 WeakPolarHBondContact O-CG 3.24Å; V1126-L1130 PolarHBondContact O-N 2.94Å; H1128-L1130 VanDerWaalsContact C-N 3.27Å; H1128-L1130 PolarHBondContact O-N 3.34Å; L1130-K1134 PolarHBondContact O-NZ 3.25Å; L1130-L1157 HydrophobicContact CD2-CD2 3.96Å; L1130-Y1160 HydrophobicContact CD2-CD2 3.57Å; L1130-Y1160 HydrophobicContact CD2-CE2 3.8Å
1131	Q	86	Confident	82.1	Confident	28 Å²	28	51.4 Å²	51.4	13%	0.131	25%	0.251	C	S	.	.	H	α-helix	trans	-97.6	-18	-180	-73.1	176.3	49.1	0	0	114.7	F1091 A1094 T1127 H1128 L1129	F1091-Q1131 HydrophobicContact CD2-CB 4.16Å; F1091-Q1131 HydrophobicContact CD2-CG 3.99Å; F1091-Q1131 HydrophobicContact CE2-CB 3.88Å; F1091-Q1131 HydrophobicContact CE2-CG 3.86Å; F1091-Q1131 HydrophobicContact CZ-CG 4.45Å; A1094-Q1131 VanDerWaalsContact C-NE2 3.3Å; A1094-Q1131 HydrophobicContact CB-CG 3.95Å; A1094-Q1131 PolarHBondContact O-NE2 3.46Å; T1127-Q1131 WeakPolarHBondContact O-CB 3.34Å; T1127-Q1131 WeakPolarHBondContact O-CG 3.49Å; T1127-Q1131 PolarHBondContact O-N 3.4Å; T1127-Q1131 PolarHBondContact O-NE2 2.86Å; T1127-Q1131 VanDerWaalsContact O-NE2 3.1Å; H1128-Q1131 CarbonylContact O-C 3.5Å; H1128-Q1131 WeakPolarHBondContact O-CA 3.28Å; H1128-Q1131 PolarHBondContact O-N 3.03Å; L1129-Q1131 PolarHBondContact O-N 3.31Å
1132	T	84.2	Confident	81.9	Confident	23 Å²	23	47.7 Å²	47.7	14%	0.141	23%	0.234	C	C	.	.	S	Bend	trans	-68.4	158.5	175.9	58.7	0	0	0	0	111.4	H1128 L1129 K1134 W1142 M1145	H1128-T1132 WeakPolarHBondContact O-CG2 3.45Å; H1128-T1132 PolarHBondContact O-N 3.3Å; L1129-T1132 PolarHBondContact O-OG1 3.49Å; T1132-K1134 WeakPolarHBondContact O-CD 2.97Å; T1132-K1134 WeakPolarHBondContact O-CE 3.28Å; T1132-K1134 PolarHBondContact O-NZ 3.35Å; T1132-W1142 PolarHBondContact OG1-NE1 3.28Å; T1132-M1145 HydrophobicContact CG2-SD 4Å
1133	R	80.7	Confident	81.8	Confident	189 Å²	189	48 Å²	48	71%	0.713	23%	0.234	S	C	*	.			trans	-73.5	140.1	170.2	-68.9	-174.1	179.4	-168.7	-0.1	109.1	N1135 D1138 W1142	R1133-N1135 VanDerWaalsContact C-N 3.27Å; R1133-N1135 PolarHBondContact O-N 3.04Å; R1133-D1138 WeakPolarHBondContact CB-OD2 3.35Å; R1133-W1142 WeakPolarHBondContact O-CZ2 3.31Å
1134	K	82.2	Confident	81.7	Confident	27 Å²	27	55.3 Å²	55.3	12%	0.117	27%	0.268	C	S	.	.			trans	-95.2	56.7	-176.2	-69.5	87.4	-171	168.3	0	109.9	L1130 T1132 W1142 P1170 F1174	L1130-K1134 PolarHBondContact O-NZ 3.25Å; T1132-K1134 WeakPolarHBondContact O-CD 2.97Å; T1132-K1134 WeakPolarHBondContact O-CE 3.28Å; T1132-K1134 PolarHBondContact O-NZ 3.35Å; K1134-W1142 HydrophobicContact CG-CH2 4.12Å; K1134-W1142 HydrophobicContact CG-CZ2 4.28Å; K1134-P1170 HydrophobicContact CB-CB 4.5Å; K1134-P1170 HydrophobicContact CG-CG 4.28Å; K1134-F1174 VanDerWaalsContact C-CZ 3.45Å; K1134-F1174 HydrophobicContact CB-CD1 4.35Å; K1134-F1174 HydrophobicContact CB-CE1 3.69Å; K1134-F1174 HydrophobicContact CB-CZ 4.04Å; K1134-F1174 HydrophobicContact CG-CE1 4.19Å
1135	N	80.5	Confident	81.4	Confident	78 Å²	78	56.8 Å²	56.8	42%	0.417	28%	0.276	S	S	.	.			trans	-112.2	145.2	179	-61.6	-30.3	0	0	0	109.5	R1133 K1137 D1138 F1174	R1133-N1135 VanDerWaalsContact C-N 3.27Å; R1133-N1135 PolarHBondContact O-N 3.04Å; N1135-K1137 PolarHBondContact O-N 3.25Å; N1135-K1137 VanDerWaalsContact O-N 3.11Å; N1135-D1138 PolarHBondContact O-N 3.01Å; N1135-F1174 VanDerWaalsContact C-CE2 3.43Å
1136	E	79.3	Confident	81	Confident	121 Å²	121	56.4 Å²	56.4	57%	0.565	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-56	-32.3	-178.4	-66.5	176.8	177.2	0	0	113	D1138 V1139 F1174 F1177	E1136-D1138 VanDerWaalsContact C-N 3.25Å; E1136-D1138 PolarHBondContact O-N 3.27Å; E1136-V1139 WeakPolarHBondContact O-CG2 3.46Å; E1136-V1139 PolarHBondContact O-N 3.37Å; E1136-F1174 HydrophobicContact CG-CD2 3.86Å; E1136-F1174 HydrophobicContact CG-CE2 4.24Å; E1136-F1177 HydrophobicContact CB-CD1 4.29Å; E1136-F1177 HydrophobicContact CB-CE1 3.85Å; E1136-F1177 HydrophobicContact CB-CZ 4.29Å; E1136-F1177 HydrophobicContact CG-CD1 3.97Å; E1136-F1177 HydrophobicContact CG-CE1 4.04Å; E1136-F1177 HydrophobicContact CG-CG 4.46Å
1137	K	78.2	Confident	80.6	Confident	192 Å²	192	60.9 Å²	60.9	84%	0.835	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-65.6	-24.5	179	-61.5	-174.2	-179.3	-177.3	0	114.1	N1135	N1135-K1137 PolarHBondContact O-N 3.25Å; N1135-K1137 VanDerWaalsContact O-N 3.11Å
1138	D	75	Confident	80.3	Confident	58 Å²	58	63.9 Å²	63.9	31%	0.31	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-93.5	-8.9	-174.5	-61.2	-41.4	0	0	0	112.2	R1133 N1135 E1136 S1140 C1141 W1142	R1133-D1138 WeakPolarHBondContact CB-OD2 3.35Å; N1135-D1138 PolarHBondContact O-N 3.01Å; E1136-D1138 VanDerWaalsContact C-N 3.25Å; E1136-D1138 PolarHBondContact O-N 3.27Å; D1138-S1140 VanDerWaalsContact C-N 3.31Å; D1138-S1140 PolarHBondContact O-N 3.47Å; D1138-C1141 WeakPolarHBondContact O-CB 3.44Å; D1138-C1141 PolarHBondContact O-N 2.97Å; D1138-C1141 VanDerWaalsContact O-N 3.13Å; D1138-W1142 PolarHBondContact O-N 2.91Å; D1138-W1142 PolarHBondContact O-NE1 2.78Å
1139	V	77.4	Confident	79.9	Confident	5 Å²	5	61 Å²	61	3%	0.03	31%	0.305	C	S	.	.	H	α-helix	trans	-63.9	-33.6	-173.8	178.3	0	0	0	0	112.3	E1136 C1141 W1142 F1174 F1177 V1178	E1136-V1139 WeakPolarHBondContact O-CG2 3.46Å; E1136-V1139 PolarHBondContact O-N 3.37Å; V1139-C1141 VanDerWaalsContact C-N 3.27Å; V1139-C1141 PolarHBondContact O-N 2.95Å; V1139-W1142 WeakPolarHBondContact O-CB 3.48Å; V1139-W1142 PolarHBondContact O-N 3.21Å; V1139-W1142 VanDerWaalsContact O-N 3.09Å; V1139-F1174 HydrophobicContact CG2-CE2 3.75Å; V1139-F1174 HydrophobicContact CG2-CZ 3.97Å; V1139-F1177 HydrophobicContact CB-CE1 4.1Å; V1139-F1177 HydrophobicContact CG1-CE1 4.32Å; V1139-F1177 HydrophobicContact CG2-CD1 4.12Å; V1139-F1177 HydrophobicContact CG2-CE1 3.87Å; V1139-V1178 HydrophobicContact CG1-CG2 4.05Å; V1139-V1178 HydrophobicContact CG2-CG2 3.7Å
1140	S	74.9	Confident	79.4	Confident	78 Å²	78	63.7 Å²	63.7	55%	0.545	32%	0.322	S	S	.	.	H	α-helix	trans	-61.7	-35.1	175.8	54.9	0	0	0	0	112.6	D1138 W1142	D1138-S1140 VanDerWaalsContact C-N 3.31Å; D1138-S1140 PolarHBondContact O-N 3.47Å; S1140-W1142 VanDerWaalsContact C-N 3.3Å; S1140-W1142 PolarHBondContact O-N 2.76Å
1141	C	79.3	Confident	79	Confident	54 Å²	54	65 Å²	65	37%	0.365	33%	0.329	S	S	.	.	H	α-helix	trans	-73.2	-23.9	177.1	-169.9	0	0	0	0	112.2	D1138 V1139 N1143 E1144 M1145	D1138-C1141 WeakPolarHBondContact O-CB 3.44Å; D1138-C1141 PolarHBondContact O-N 2.97Å; D1138-C1141 VanDerWaalsContact O-N 3.13Å; V1139-C1141 VanDerWaalsContact C-N 3.27Å; V1139-C1141 PolarHBondContact O-N 2.95Å; C1141-N1143 PolarHBondContact O-N 3.19Å; C1141-E1144 PolarHBondContact O-N 3.24Å; C1141-M1145 VanDerWaalsContact O-CG 3.29Å; C1141-M1145 WeakPolarHBondContact O-CG 3.4Å; C1141-M1145 PolarHBondContact O-N 2.69Å
1142	W	77.8	Confident	78.7	Confident	5 Å²	5	66.3 Å²	66.3	2%	0.019	34%	0.344	C	S	.	.	H	α-helix	trans	-65.6	-28.2	-178.6	-67.3	12.5	0	0	0	112.2	L1129 T1132 R1133 K1134 D1138 V1139 S1140 M1145 C1146 L1157 F1174 V1178	L1129-W1142 HydrophobicContact CD1-CD2 3.77Å; L1129-W1142 HydrophobicContact CD1-CE3 3.49Å; L1129-W1142 VanDerWaalsContact CD1-CE3 3.49Å; L1129-W1142 HydrophobicContact CD1-CG 4.4Å; L1129-W1142 HydrophobicContact CD1-CH2 4.13Å; L1129-W1142 HydrophobicContact CD1-CZ2 4.41Å; L1129-W1142 HydrophobicContact CD1-CZ3 3.68Å; T1132-W1142 PolarHBondContact OG1-NE1 3.28Å; R1133-W1142 WeakPolarHBondContact O-CZ2 3.31Å; K1134-W1142 HydrophobicContact CG-CH2 4.12Å; K1134-W1142 HydrophobicContact CG-CZ2 4.28Å; D1138-W1142 PolarHBondContact O-N 2.91Å; D1138-W1142 PolarHBondContact O-NE1 2.78Å; V1139-W1142 WeakPolarHBondContact O-CB 3.48Å; V1139-W1142 PolarHBondContact O-N 3.21Å; V1139-W1142 VanDerWaalsContact O-N 3.09Å; S1140-W1142 VanDerWaalsContact C-N 3.3Å; S1140-W1142 PolarHBondContact O-N 2.76Å; W1142-M1145 PolarHBondContact O-N 2.82Å; W1142-C1146 WeakPolarHBondContact O-CA 3.33Å; W1142-C1146 VanDerWaalsContact O-CB 3.24Å; W1142-C1146 WeakPolarHBondContact O-CB 3.37Å; W1142-C1146 PolarHBondContact O-N 2.91Å; W1142-L1157 HydrophobicContact CH2-CD1 3.81Å; W1142-L1157 HydrophobicContact CZ3-CD1 3.58Å; W1142-F1174 AromaticContact CH2-CE1 3.67Å; W1142-F1174 HydrophobicContact CH2-CE1 3.67Å; W1142-F1174 AromaticContact CH2-CZ 3.61Å; W1142-F1174 HydrophobicContact CH2-CZ 3.61Å; W1142-F1174 HydrophobicContact CZ2-CE1 4.47Å; W1142-F1174 HydrophobicContact CZ2-CZ 4.05Å; W1142-F1174 HydrophobicContact CZ3-CE1 4.26Å; W1142-F1174 HydrophobicContact CZ3-CZ 4.21Å; W1142-V1178 HydrophobicContact CE3-CG1 4.01Å; W1142-V1178 HydrophobicContact CE3-CG2 4.26Å; W1142-V1178 HydrophobicContact CH2-CG2 4.47Å; W1142-V1178 HydrophobicContact CZ3-CG1 3.95Å; W1142-V1178 HydrophobicContact CZ3-CG2 3.8Å
1143	N	74.1	Confident	78.4	Confident	30 Å²	30	66.4 Å²	66.4	16%	0.16	34%	0.343	C	S	.	.	H	α-helix	trans	-70.9	-38.6	-177.6	-150.6	11.2	0	0	0	112.2	C1141 M1145 L1182 E1185 R1186	C1141-N1143 PolarHBondContact O-N 3.19Å; N1143-M1145 VanDerWaalsContact C-N 3.35Å; N1143-L1182 HydrophobicContact CB-CD2 4.08Å; N1143-E1185 WeakPolarHBondContact CB-OE2 3.29Å; N1143-E1185 VanDerWaalsContact ND2-CB 3.26Å; N1143-E1185 WeakPolarHBondContact ND2-CB 3.35Å; N1143-E1185 PolarHBondContact ND2-OE2 3.31Å; N1143-R1186 PolarHBondContact OD1-NE 3.1Å; N1143-R1186 PolarHBondContact OD1-NH2 2.97Å; N1143-R1186 VanDerWaalsContact OD1-NH2 3.14Å
1144	E	77.2	Confident	78.5	Confident	164 Å²	164	57.6 Å²	57.6	77%	0.766	31%	0.31	S	S	*	.	H	α-helix	trans	-67.4	-36.2	171.9	-66.9	-175.8	169	0	0	111.9	C1141	C1141-E1144 PolarHBondContact O-N 3.24Å
1145	M	79.2	Confident	78.5	Confident	61 Å²	61	56.8 Å²	56.8	30%	0.3	31%	0.307	S	S	.	.	H	α-helix	trans	-80.1	-33.8	-176.5	-68.9	178.1	147.9	0	0	114.6	Q1125 H1128 T1132 C1141 W1142 N1143	Q1125-M1145 VanDerWaalsContact CD-O 3.26Å; Q1125-M1145 WeakPolarHBondContact CG-O 3.47Å; H1128-M1145 VanDerWaalsContact CD2-CE 3.48Å; H1128-M1145 WeakPolarHBondContact CD2-CE 3.46Å; H1128-M1145 PolarHBondContact CD2-SD 2.7Å; H1128-M1145 WeakPolarHBondContact NE2-CE 3.28Å; H1128-M1145 PolarHBondContact NE2-SD 3.46Å; T1132-M1145 HydrophobicContact CG2-SD 4Å; C1141-M1145 VanDerWaalsContact O-CG 3.29Å; C1141-M1145 WeakPolarHBondContact O-CG 3.4Å; C1141-M1145 PolarHBondContact O-N 2.69Å; W1142-M1145 PolarHBondContact O-N 2.82Å; N1143-M1145 VanDerWaalsContact C-N 3.35Å
1146	C	79	Confident	78.6	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.02	29%	0.29	C	S	.	.			trans	-119.8	36.6	-167.2	-59.3	0	0	0	0	112.4	W1142 C1148 L1149 R1186	W1142-C1146 WeakPolarHBondContact O-CA 3.33Å; W1142-C1146 VanDerWaalsContact O-CB 3.24Å; W1142-C1146 WeakPolarHBondContact O-CB 3.37Å; W1142-C1146 PolarHBondContact O-N 2.91Å; C1146-C1148 VanDerWaalsContact C-N 3.27Å; C1146-C1148 PolarHBondContact O-N 3.5Å; C1146-L1149 HydrophobicContact CB-CD1 4.15Å; C1146-L1149 PolarHBondContact O-N 3.28Å; C1146-R1186 PolarHBondContact O-NH2 3.05Å
1147	N	79.4	Confident	78.8	Confident	96 Å²	96	47.8 Å²	47.8	51%	0.513	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15	-175.9	64.7	4.3	0	0	0	115.2	Q1125	Q1125-N1147 PolarHBondContact NE2-OD1 3.31Å; Q1125-N1147 VanDerWaalsContact OE1-N 3.12Å
1148	C	78	Confident	79.2	Confident	64 Å²	64	44.9 Å²	44.9	43%	0.432	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-5.6	175.1	-61.6	0	0	0	0	113	P1122 Q1125 C1146	P1122-C1148 HydrophobicContact CB-CB 4.48Å; P1122-C1148 HydrophobicContact CG-CB 4.23Å; Q1125-C1148 PolarHBondContact NE2-SG 3.31Å; Q1125-C1148 VanDerWaalsContact OE1-CB 3.25Å; C1146-C1148 VanDerWaalsContact C-N 3.27Å; C1146-C1148 PolarHBondContact O-N 3.5Å
1149	L	79	Confident	79.6	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.016	24%	0.243	C	C	.	.	S	Bend	trans	-98.5	133.1	179	-62.3	179.2	0	0	0	110.3	I1079 Q1125 V1126 L1129 C1146 Q1153 V1154 R1186	I1079-L1149 HydrophobicContact CG2-CD2 4.15Å; Q1125-L1149 HydrophobicContact CB-CD1 4.19Å; Q1125-L1149 HydrophobicContact CB-CG 4.25Å; V1126-L1149 HydrophobicContact CG2-CD1 3.95Å; V1126-L1149 HydrophobicContact CG2-CD2 3.63Å; V1126-L1149 HydrophobicContact CG2-CG 4.43Å; L1129-L1149 HydrophobicContact CD2-CD1 4.19Å; C1146-L1149 HydrophobicContact CB-CD1 4.15Å; C1146-L1149 PolarHBondContact O-N 3.28Å; L1149-Q1153 HydrophobicContact CB-CB 4.42Å; L1149-V1154 HydrophobicContact CB-CG2 4.1Å; L1149-R1186 PolarHBondContact O-NH1 2.94Å
1150	T	78.4	Confident	80	Confident	58 Å²	58	44.1 Å²	44.1	36%	0.356	24%	0.243	S	C	.	.			trans	-68.6	155.8	173.3	63.2	0	0	0	0	110.9	A1152 Q1153 V1154	T1150-A1152 PolarHBondContact O-N 3.2Å; T1150-Q1153 WeakPolarHBondContact O-CA 3.37Å; T1150-Q1153 WeakPolarHBondContact O-CB 3.2Å; T1150-Q1153 PolarHBondContact O-N 3.14Å; T1150-Q1153 VanDerWaalsContact OG1-CG 3.3Å; T1150-Q1153 WeakPolarHBondContact OG1-CG 3.25Å; T1150-Q1153 PolarHBondContact OG1-N 3.39Å; T1150-Q1153 PolarHBondContact OG1-OE1 2.57Å; T1150-V1154 PolarHBondContact O-N 3.36Å
1151	I	79.8	Confident	80.4	Confident	29 Å²	29	42.7 Å²	42.7	15%	0.149	23%	0.231	C	C	.	.	H	α-helix	trans	-55.6	-36.6	176.1	-55.9	179.1	0	0	0	110.9	Q1153 V1154 S1155 E1179 L1182 R1183	I1151-Q1153 PolarHBondContact O-N 3.43Å; I1151-V1154 PolarHBondContact O-N 2.84Å; I1151-S1155 PolarHBondContact O-N 2.78Å; I1151-E1179 HydrophobicContact CG2-CB 4.5Å; I1151-E1179 HydrophobicContact CG2-CG 4.32Å; I1151-L1182 HydrophobicContact CD1-CB 4.34Å; I1151-L1182 HydrophobicContact CG1-CB 4.23Å; I1151-R1183 HydrophobicContact CD1-CB 4.4Å; I1151-R1183 HydrophobicContact CD1-CG 3.63Å
1152	A	78.4	Confident	80.5	Confident	54 Å²	54	42.4 Å²	42.4	45%	0.446	23%	0.228	S	C	.	.	H	α-helix	trans	-65.5	-34.6	175.2	0	0	0	0	0	113.2	T1150 S1155 L1156	T1150-A1152 PolarHBondContact O-N 3.2Å; A1152-S1155 PolarHBondContact O-OG 2.96Å; A1152-L1156 PolarHBondContact O-N 3.2Å
1153	Q	79.6	Confident	80.4	Confident	26 Å²	26	47.6 Å²	47.6	12%	0.121	25%	0.254	C	S	.	.	H	α-helix	trans	-71.8	-37.8	174.4	-75.7	168.8	-43	0	0	111.7	N1080 L1149 T1150 I1151 S1155 L1156	N1080-Q1153 PolarHBondContact OD1-NE2 3.47Å; L1149-Q1153 HydrophobicContact CB-CB 4.42Å; T1150-Q1153 WeakPolarHBondContact O-CA 3.37Å; T1150-Q1153 WeakPolarHBondContact O-CB 3.2Å; T1150-Q1153 PolarHBondContact O-N 3.14Å; T1150-Q1153 VanDerWaalsContact OG1-CG 3.3Å; T1150-Q1153 WeakPolarHBondContact OG1-CG 3.25Å; T1150-Q1153 PolarHBondContact OG1-N 3.39Å; T1150-Q1153 PolarHBondContact OG1-OE1 2.57Å; I1151-Q1153 PolarHBondContact O-N 3.43Å; Q1153-S1155 VanDerWaalsContact C-N 3.32Å; Q1153-S1155 PolarHBondContact O-N 3.42Å; Q1153-L1156 WeakPolarHBondContact O-CB 3.41Å; Q1153-L1156 PolarHBondContact O-N 2.94Å
1154	V	81.6	Confident	80.3	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-64.8	-38.3	175	179.8	0	0	0	0	110.8	L1129 L1149 T1150 I1151 L1156 L1157 V1178 L1182	L1129-V1154 HydrophobicContact CD1-CG1 4.45Å; L1129-V1154 HydrophobicContact CD2-CB 4.48Å; L1129-V1154 HydrophobicContact CD2-CG1 4.18Å; L1129-V1154 HydrophobicContact CD2-CG2 4.32Å; L1149-V1154 HydrophobicContact CB-CG2 4.1Å; T1150-V1154 PolarHBondContact O-N 3.36Å; I1151-V1154 PolarHBondContact O-N 2.84Å; V1154-L1156 PolarHBondContact O-N 3.02Å; V1154-L1157 HydrophobicContact CG1-CD1 4.2Å; V1154-L1157 VanDerWaalsContact O-CB 3.27Å; V1154-L1157 WeakPolarHBondContact O-CB 3.14Å; V1154-L1157 VanDerWaalsContact O-CG 3.29Å; V1154-L1157 WeakPolarHBondContact O-CG 3.38Å; V1154-L1157 PolarHBondContact O-N 3.27Å; V1154-V1178 HydrophobicContact CG1-CG1 3.76Å; V1154-L1182 HydrophobicContact CB-CD1 4.09Å; V1154-L1182 HydrophobicContact CG1-CD1 3.84Å; V1154-L1182 HydrophobicContact CG2-CD1 4.11Å
1155	S	81.9	Confident	79.9	Confident	10 Å²	10	47 Å²	47	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-69.7	-13.2	178.6	71.8	0	0	0	0	114.7	I1151 A1152 Q1153 L1157 R1158 E1179	I1151-S1155 PolarHBondContact O-N 2.78Å; A1152-S1155 PolarHBondContact O-OG 2.96Å; Q1153-S1155 VanDerWaalsContact C-N 3.32Å; Q1153-S1155 PolarHBondContact O-N 3.42Å; S1155-L1157 PolarHBondContact O-N 2.91Å; S1155-L1157 VanDerWaalsContact O-N 3.13Å; S1155-R1158 WeakPolarHBondContact O-CG 3.49Å; S1155-R1158 PolarHBondContact O-N 3.27Å; S1155-E1179 WeakPolarHBondContact CB-OE1 3.13Å; S1155-E1179 PolarHBondContact OG-OE1 3.08Å
1156	L	83.3	Confident	79.4	Confident	8 Å²	8	51.2 Å²	51.2	4%	0.042	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-64.8	-7.7	166.9	-61.7	176.5	0	0	0	113	M1083 Y1084 A1152 Q1153 V1154 R1158 N1159	M1083-L1156 HydrophobicContact CB-CB 3.73Å; M1083-L1156 HydrophobicContact CB-CD1 3.87Å; M1083-L1156 HydrophobicContact CB-CG 4.46Å; M1083-L1156 HydrophobicContact CE-CB 4.03Å; M1083-L1156 HydrophobicContact CG-CB 4.49Å; Y1084-L1156 HydrophobicContact CD2-CD1 3.93Å; Y1084-L1156 HydrophobicContact CD2-CD2 4.24Å; Y1084-L1156 HydrophobicContact CE1-CD2 4.21Å; Y1084-L1156 HydrophobicContact CE2-CD1 3.69Å; Y1084-L1156 HydrophobicContact CE2-CD2 3.57Å; Y1084-L1156 HydrophobicContact CE2-CG 4.3Å; A1152-L1156 PolarHBondContact O-N 3.2Å; Q1153-L1156 WeakPolarHBondContact O-CB 3.41Å; Q1153-L1156 PolarHBondContact O-N 2.94Å; V1154-L1156 PolarHBondContact O-N 3.02Å; L1156-R1158 PolarHBondContact O-N 2.85Å; L1156-N1159 WeakPolarHBondContact O-CB 3.44Å; L1156-N1159 PolarHBondContact O-N 3.48Å
1157	L	83.8	Confident	79.2	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.016	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-54.9	-17.1	166.1	-81.7	172	0	0	0	113.6	M1083 L1129 L1130 W1142 V1154 S1155 N1159 Y1160	M1083-L1157 HydrophobicContact CE-CD2 4.08Å; M1083-L1157 HydrophobicContact CE-CG 3.96Å; L1129-L1157 HydrophobicContact CD1-CD1 3.91Å; L1129-L1157 HydrophobicContact CD2-CD1 3.91Å; L1129-L1157 HydrophobicContact CD2-CD2 4.38Å; L1129-L1157 HydrophobicContact CD2-CG 4.03Å; L1129-L1157 HydrophobicContact CG-CD1 3.88Å; L1129-L1157 HydrophobicContact CG-CD2 4.26Å; L1129-L1157 HydrophobicContact CG-CG 4.28Å; L1130-L1157 HydrophobicContact CD2-CD2 3.96Å; W1142-L1157 HydrophobicContact CH2-CD1 3.81Å; W1142-L1157 HydrophobicContact CZ3-CD1 3.58Å; V1154-L1157 HydrophobicContact CG1-CD1 4.2Å; V1154-L1157 VanDerWaalsContact O-CB 3.27Å; V1154-L1157 WeakPolarHBondContact O-CB 3.14Å; V1154-L1157 VanDerWaalsContact O-CG 3.29Å; V1154-L1157 WeakPolarHBondContact O-CG 3.38Å; V1154-L1157 PolarHBondContact O-N 3.27Å; S1155-L1157 PolarHBondContact O-N 2.91Å; S1155-L1157 VanDerWaalsContact O-N 3.13Å; L1157-N1159 PolarHBondContact O-N 3.4Å; L1157-Y1160 HydrophobicContact CD2-CD2 4.12Å; L1157-Y1160 WeakPolarHBondContact O-CB 3.35Å; L1157-Y1160 PolarHBondContact O-N 3.19Å
1158	R	85.5	Confident	79.2	Confident	130 Å²	130	51.5 Å²	51.5	49%	0.491	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-56.5	-26.6	168.8	67	-170.6	166.7	-162.7	-6	113.9	S1155 L1156 Y1160 I1175	S1155-R1158 WeakPolarHBondContact O-CG 3.49Å; S1155-R1158 PolarHBondContact O-N 3.27Å; L1156-R1158 PolarHBondContact O-N 2.85Å; R1158-Y1160 VanDerWaalsContact C-N 3.28Å; R1158-I1175 VanDerWaalsContact CA-CD1 3.41Å; R1158-I1175 HydrophobicContact CB-CD1 3.68Å
1159	N	84.2	Confident	79.4	Confident	43 Å²	43	54.7 Å²	54.7	23%	0.23	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-85.2	-0.3	177.6	-59.9	-25.7	0	0	0	112.7	M1083 L1156 L1157 T1161	M1083-N1159 WeakPolarHBondContact O-CB 3.33Å; M1083-N1159 PolarHBondContact O-ND2 3.08Å; M1083-N1159 VanDerWaalsContact O-ND2 3.11Å; L1156-N1159 WeakPolarHBondContact O-CB 3.44Å; L1156-N1159 PolarHBondContact O-N 3.48Å; L1157-N1159 PolarHBondContact O-N 3.4Å; N1159-T1161 PolarHBondContact O-N 3.06Å; N1159-T1161 PolarHBondContact O-OG1 3.04Å
1160	Y	86.8	Confident	79.6	Confident	4 Å²	4	55 Å²	55	2%	0.016	30%	0.304	C	S	.	.			trans	-57.4	124.5	179	-170.5	-81.3	0	0	0	110.6	C1089 F1091 L1130 L1157 R1158 P1162 E1167 K1169 P1170	C1089-Y1160 WeakPolarHBondContact O-CA 3.19Å; F1091-Y1160 WeakPolarHBondContact CB-OH 3.4Å; F1091-Y1160 PolarHBondContact N-OH 3.07Å; L1130-Y1160 HydrophobicContact CD2-CD2 3.57Å; L1130-Y1160 HydrophobicContact CD2-CE2 3.8Å; L1157-Y1160 HydrophobicContact CD2-CD2 4.12Å; L1157-Y1160 WeakPolarHBondContact O-CB 3.35Å; L1157-Y1160 PolarHBondContact O-N 3.19Å; R1158-Y1160 VanDerWaalsContact C-N 3.28Å; Y1160-P1162 HydrophobicContact CD1-CG 4.32Å; Y1160-P1162 HydrophobicContact CE1-CG 4.3Å; Y1160-E1167 WeakPolarHBondContact CE1-OE2 3.19Å; Y1160-E1167 VanDerWaalsContact CZ-OE2 3.27Å; Y1160-E1167 PolarHBondContact OH-OE2 3.09Å; Y1160-K1169 WeakPolarHBondContact O-CE 3.46Å; Y1160-P1170 HydrophobicContact CG-CG 4.38Å
1161	T	82.5	Confident	79.9	Confident	48 Å²	48	55 Å²	55	29%	0.294	31%	0.307	S	S	.	.			trans	-121	99.5	-173.3	-47.8	0	0	0	0	109.7	A1086 C1089 N1090 N1159 M1163	A1086-T1161 WeakPolarHBondContact CA-OG1 3.47Å; A1086-T1161 HydrophobicContact CB-CG2 4.45Å; A1086-T1161 WeakPolarHBondContact CB-OG1 3.41Å; A1086-T1161 WeakPolarHBondContact O-CB 3.42Å; A1086-T1161 PolarHBondContact O-OG1 3.45Å; C1089-T1161 PolarHBondContact O-N 3.32Å; N1090-T1161 WeakPolarHBondContact CB-O 3.45Å; N1159-T1161 PolarHBondContact O-N 3.06Å; N1159-T1161 PolarHBondContact O-OG1 3.04Å; T1161-M1163 PolarHBondContact O-N 3.09Å
1162	P	81.8	Confident	80	Confident	48 Å²	48	58.8 Å²	58.8	31%	0.312	33%	0.333	S	S	.	.			trans	-53.8	127.6	178.6	-26.4	35.6	0	0	0	111.8	Y1160 E1167 K1169	Y1160-P1162 HydrophobicContact CD1-CG 4.32Å; Y1160-P1162 HydrophobicContact CE1-CG 4.3Å; P1162-E1167 HydrophobicContact CB-CB 3.74Å; P1162-E1167 HydrophobicContact CG-CB 4.46Å; P1162-K1169 HydrophobicContact CG-CB 3.92Å
1163	M	75.2	Confident	80.3	Confident	114 Å²	114	59.3 Å²	59.3	56%	0.562	34%	0.338	S	S	*	.			trans	-100.2	-27.9	175.8	-74.4	-63.6	-58.4	0	0	112.8	N1090 T1161	N1090-M1163 HydrophobicContact CB-CG 4.09Å; T1161-M1163 PolarHBondContact O-N 3.09Å
1164	D	70.8	Confident	80.6	Confident	67 Å²	67	58.6 Å²	58.6	36%	0.358	33%	0.334	S	S	.	.	S	Bend	trans	-118.7	153	-179.4	-65.1	-42.1	0	0	0	111.5	T1092 F1166 E1167	T1092-D1164 WeakPolarHBondContact CG2-OD2 3.44Å; D1164-F1166 HydrophobicContact CB-CD1 3.87Å; D1164-F1166 HydrophobicContact CB-CD2 4.49Å; D1164-F1166 HydrophobicContact CB-CE1 3.3Å; D1164-F1166 HydrophobicContact CB-CE2 4Å; D1164-F1166 HydrophobicContact CB-CG 4.44Å; D1164-F1166 HydrophobicContact CB-CZ 3.36Å; D1164-F1166 PolarHBondContact O-N 3.14Å; D1164-F1166 VanDerWaalsContact OD2-CZ 3.31Å; D1164-F1166 WeakPolarHBondContact OD2-CZ 3.24Å; D1164-E1167 WeakPolarHBondContact O-CB 3.19Å; D1164-E1167 PolarHBondContact O-N 2.88Å
1165	A	69.2	Low	80.7	Confident	114 Å²	114	59.4 Å²	59.4	94%	0.942	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.3	-173.2	0	0	0	0	0	115.5
1166	F	70.2	Confident	80.8	Confident	151 Å²	151	65.1 Å²	65.1	66%	0.662	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-3.1	176.9	53.8	-98.7	0	0	0	113.3	D1164	D1164-F1166 HydrophobicContact CB-CD1 3.87Å; D1164-F1166 HydrophobicContact CB-CD2 4.49Å; D1164-F1166 HydrophobicContact CB-CE1 3.3Å; D1164-F1166 HydrophobicContact CB-CE2 4Å; D1164-F1166 HydrophobicContact CB-CG 4.44Å; D1164-F1166 HydrophobicContact CB-CZ 3.36Å; D1164-F1166 PolarHBondContact O-N 3.14Å; D1164-F1166 VanDerWaalsContact OD2-CZ 3.31Å; D1164-F1166 WeakPolarHBondContact OD2-CZ 3.24Å
1167	E	74.8	Confident	80.9	Confident	24 Å²	24	68.5 Å²	68.5	11%	0.112	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-92.5	130.2	175.4	-66.2	-176.1	-127.6	0	0	110.5	F1091 Y1160 P1162 D1164	F1091-E1167 VanDerWaalsContact CB-CD 3.49Å; F1091-E1167 HydrophobicContact CB-CG 4.16Å; F1091-E1167 WeakPolarHBondContact CB-OE2 3.46Å; F1091-E1167 PolarHBondContact N-OE2 3.27Å; Y1160-E1167 WeakPolarHBondContact CE1-OE2 3.19Å; Y1160-E1167 VanDerWaalsContact CZ-OE2 3.27Å; Y1160-E1167 PolarHBondContact OH-OE2 3.09Å; P1162-E1167 HydrophobicContact CB-CB 3.74Å; P1162-E1167 HydrophobicContact CG-CB 4.46Å; D1164-E1167 WeakPolarHBondContact O-CB 3.19Å; D1164-E1167 PolarHBondContact O-N 2.88Å
1168	S	77.9	Confident	80.9	Confident	81 Å²	81	68.6 Å²	68.6	57%	0.566	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-102.4	138.3	170.9	55.1	0	0	0	0	110.8
1169	K	83.7	Confident	80.8	Confident	130 Å²	130	64.7 Å²	64.7	57%	0.565	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-70.1	132.3	171.4	-169.6	171	-175.6	177.7	0	108.8	Y1160 P1162 S1171	Y1160-K1169 WeakPolarHBondContact O-CE 3.46Å; P1162-K1169 HydrophobicContact CG-CB 3.92Å; K1169-S1171 PolarHBondContact O-N 2.82Å
1170	P	82.9	Confident	80.8	Confident	10 Å²	10	67 Å²	67	7%	0.065	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-62.7	134.3	176.7	-1.5	9.8	0	0	0	110.2	K1134 Y1160 F1174 I1175	K1134-P1170 HydrophobicContact CB-CB 4.5Å; K1134-P1170 HydrophobicContact CG-CG 4.28Å; Y1160-P1170 HydrophobicContact CG-CG 4.38Å; P1170-F1174 HydrophobicContact CB-CD1 3.82Å; P1170-F1174 HydrophobicContact CB-CE1 4.35Å; P1170-I1175 HydrophobicContact CB-CD1 4.22Å; P1170-I1175 HydrophobicContact CB-CG1 4.1Å
1171	S	84.3	Confident	80.6	Confident	59 Å²	59	67.9 Å²	67.9	41%	0.413	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-70.9	150.9	177.3	71.3	0	0	0	0	110.6	K1169 A1173 F1174 I1175	K1169-S1171 PolarHBondContact O-N 2.82Å; S1171-A1173 PolarHBondContact O-N 3.41Å; S1171-F1174 WeakPolarHBondContact O-CB 3.24Å; S1171-F1174 PolarHBondContact O-N 2.82Å; S1171-F1174 VanDerWaalsContact O-N 3.09Å; S1171-F1174 VanDerWaalsContact OG-CB 3.31Å; S1171-F1174 WeakPolarHBondContact OG-CB 3.39Å; S1171-F1174 PolarHBondContact OG-N 3.26Å; S1171-F1174 VanDerWaalsContact OG-N 3.08Å; S1171-I1175 PolarHBondContact O-N 3.26Å
1172	P	82.3	Confident	80.4	Confident	108 Å²	108	65.7 Å²	65.7	70%	0.701	38%	0.375	S	S	*	.	H	α-helix	trans	-55.5	-37	174	-26	34.6	0	0	0	112.8	I1175 Q1176	P1172-I1175 PolarHBondContact O-N 2.73Å; P1172-Q1176 WeakPolarHBondContact O-CB 3.48Å; P1172-Q1176 PolarHBondContact O-N 3.48Å
1173	A	84.2	Confident	80.3	Confident	65 Å²	65	71.1 Å²	71.1	54%	0.537	39%	0.389	S	S	.	.	H	α-helix	trans	-63.6	-41.6	175.9	0	0	0	0	0	112.4	S1171 Q1176 F1177	S1171-A1173 PolarHBondContact O-N 3.41Å; A1173-Q1176 PolarHBondContact O-N 3.26Å; A1173-F1177 WeakPolarHBondContact O-CB 3.39Å; A1173-F1177 PolarHBondContact O-N 2.94Å
1174	F	85.1	Confident	80.4	Confident	10 Å²	10	69.9 Å²	69.9	4%	0.044	39%	0.392	C	S	.	.	H	α-helix	trans	-64.5	-40.7	175.4	172.9	-100.6	0	0	0	111.9	K1134 N1135 E1136 V1139 W1142 P1170 S1171 Q1176 F1177 V1178	K1134-F1174 VanDerWaalsContact C-CZ 3.45Å; K1134-F1174 HydrophobicContact CB-CD1 4.35Å; K1134-F1174 HydrophobicContact CB-CE1 3.69Å; K1134-F1174 HydrophobicContact CB-CZ 4.04Å; K1134-F1174 HydrophobicContact CG-CE1 4.19Å; N1135-F1174 VanDerWaalsContact C-CE2 3.43Å; E1136-F1174 HydrophobicContact CG-CD2 3.86Å; E1136-F1174 HydrophobicContact CG-CE2 4.24Å; V1139-F1174 HydrophobicContact CG2-CE2 3.75Å; V1139-F1174 HydrophobicContact CG2-CZ 3.97Å; W1142-F1174 AromaticContact CH2-CE1 3.67Å; W1142-F1174 HydrophobicContact CH2-CE1 3.67Å; W1142-F1174 AromaticContact CH2-CZ 3.61Å; W1142-F1174 HydrophobicContact CH2-CZ 3.61Å; W1142-F1174 HydrophobicContact CZ2-CE1 4.47Å; W1142-F1174 HydrophobicContact CZ2-CZ 4.05Å; W1142-F1174 HydrophobicContact CZ3-CE1 4.26Å; W1142-F1174 HydrophobicContact CZ3-CZ 4.21Å; P1170-F1174 HydrophobicContact CB-CD1 3.82Å; P1170-F1174 HydrophobicContact CB-CE1 4.35Å; S1171-F1174 WeakPolarHBondContact O-CB 3.24Å; S1171-F1174 PolarHBondContact O-N 2.82Å; S1171-F1174 VanDerWaalsContact O-N 3.09Å; S1171-F1174 VanDerWaalsContact OG-CB 3.31Å; S1171-F1174 WeakPolarHBondContact OG-CB 3.39Å; S1171-F1174 PolarHBondContact OG-N 3.26Å; S1171-F1174 VanDerWaalsContact OG-N 3.08Å; F1174-Q1176 VanDerWaalsContact C-N 3.34Å; F1174-Q1176 PolarHBondContact O-N 3.4Å; F1174-F1177 WeakPolarHBondContact O-CB 3.32Å; F1174-F1177 PolarHBondContact O-N 3.09Å; F1174-V1178 HydrophobicContact CD1-CG2 4.32Å; F1174-V1178 HydrophobicContact CE1-CG2 3.82Å; F1174-V1178 HydrophobicContact CE2-CG2 4Å; F1174-V1178 HydrophobicContact CZ-CG2 3.65Å; F1174-V1178 WeakPolarHBondContact O-CG2 3.38Å; F1174-V1178 PolarHBondContact O-N 2.79Å
1175	I	83.9	Confident	80.6	Confident	20 Å²	20	71.4 Å²	71.4	10%	0.103	40%	0.397	C	S	.	.	H	α-helix	trans	-64.8	-41.4	177.2	-63.7	167.4	0	0	0	110.5	R1158 P1170 S1171 P1172 V1178 E1179	R1158-I1175 VanDerWaalsContact CA-CD1 3.41Å; R1158-I1175 HydrophobicContact CB-CD1 3.68Å; P1170-I1175 HydrophobicContact CB-CD1 4.22Å; P1170-I1175 HydrophobicContact CB-CG1 4.1Å; S1171-I1175 PolarHBondContact O-N 3.26Å; P1172-I1175 PolarHBondContact O-N 2.73Å; I1175-V1178 PolarHBondContact O-N 2.65Å; I1175-E1179 PolarHBondContact O-N 2.91Å
1176	Q	85	Confident	80.8	Confident	130 Å²	130	67.7 Å²	67.7	61%	0.607	36%	0.358	S	S	*	.	H	α-helix	trans	-63.4	-41.1	175	-169.2	174.4	12	0	0	111.8	P1172 A1173 F1174 E1179 V1180	P1172-Q1176 WeakPolarHBondContact O-CB 3.48Å; P1172-Q1176 PolarHBondContact O-N 3.48Å; A1173-Q1176 PolarHBondContact O-N 3.26Å; F1174-Q1176 VanDerWaalsContact C-N 3.34Å; F1174-Q1176 PolarHBondContact O-N 3.4Å; Q1176-E1179 PolarHBondContact O-N 3.2Å; Q1176-V1180 WeakPolarHBondContact O-CG2 3.25Å; Q1176-V1180 PolarHBondContact O-N 3.3Å
1177	F	85.7	Confident	80.1	Confident	79 Å²	79	66 Å²	66	35%	0.346	37%	0.366	S	S	.	.	H	α-helix	trans	-58.5	-48.2	172.7	174.5	-97.2	0	0	0	111.5	E1136 V1139 A1173 F1174 E1179 V1180 S1181	E1136-F1177 HydrophobicContact CB-CD1 4.29Å; E1136-F1177 HydrophobicContact CB-CE1 3.85Å; E1136-F1177 HydrophobicContact CB-CZ 4.29Å; E1136-F1177 HydrophobicContact CG-CD1 3.97Å; E1136-F1177 HydrophobicContact CG-CE1 4.04Å; E1136-F1177 HydrophobicContact CG-CG 4.46Å; V1139-F1177 HydrophobicContact CB-CE1 4.1Å; V1139-F1177 HydrophobicContact CG1-CE1 4.32Å; V1139-F1177 HydrophobicContact CG2-CD1 4.12Å; V1139-F1177 HydrophobicContact CG2-CE1 3.87Å; A1173-F1177 WeakPolarHBondContact O-CB 3.39Å; A1173-F1177 PolarHBondContact O-N 2.94Å; F1174-F1177 WeakPolarHBondContact O-CB 3.32Å; F1174-F1177 PolarHBondContact O-N 3.09Å; F1177-E1179 PolarHBondContact O-N 2.94Å; F1177-V1180 PolarHBondContact O-N 3.14Å; F1177-S1181 PolarHBondContact O-N 3.42Å; F1177-S1181 PolarHBondContact O-OG 2.91Å
1178	V	83	Confident	79.3	Confident	5 Å²	5	68.2 Å²	68.2	3%	0.03	40%	0.395	C	S	.	.	H	α-helix	trans	-59	-45.1	176.6	170.7	0	0	0	0	111.8	V1139 W1142 V1154 F1174 I1175 V1180 S1181 L1182	V1139-V1178 HydrophobicContact CG1-CG2 4.05Å; V1139-V1178 HydrophobicContact CG2-CG2 3.7Å; W1142-V1178 HydrophobicContact CE3-CG1 4.01Å; W1142-V1178 HydrophobicContact CE3-CG2 4.26Å; W1142-V1178 HydrophobicContact CH2-CG2 4.47Å; W1142-V1178 HydrophobicContact CZ3-CG1 3.95Å; W1142-V1178 HydrophobicContact CZ3-CG2 3.8Å; V1154-V1178 HydrophobicContact CG1-CG1 3.76Å; F1174-V1178 HydrophobicContact CD1-CG2 4.32Å; F1174-V1178 HydrophobicContact CE1-CG2 3.82Å; F1174-V1178 HydrophobicContact CE2-CG2 4Å; F1174-V1178 HydrophobicContact CZ-CG2 3.65Å; F1174-V1178 WeakPolarHBondContact O-CG2 3.38Å; F1174-V1178 PolarHBondContact O-N 2.79Å; I1175-V1178 PolarHBondContact O-N 2.65Å; V1178-V1180 VanDerWaalsContact C-N 3.32Å; V1178-V1180 PolarHBondContact O-N 2.87Å; V1178-S1181 PolarHBondContact O-N 2.89Å; V1178-L1182 HydrophobicContact CG1-CD1 3.74Å; V1178-L1182 HydrophobicContact CG1-CG 4.29Å; V1178-L1182 WeakPolarHBondContact O-CB 3.47Å; V1178-L1182 WeakPolarHBondContact O-CG 3.46Å; V1178-L1182 PolarHBondContact O-N 2.96Å
1179	E	82.8	Confident	77.8	Confident	49 Å²	49	69.3 Å²	69.3	23%	0.229	39%	0.391	C	S	.	.	H	α-helix	trans	-59.6	-42.9	176.9	-76.7	-173	173.4	0	0	111.8	I1151 S1155 I1175 Q1176 F1177 R1183	I1151-E1179 HydrophobicContact CG2-CB 4.5Å; I1151-E1179 HydrophobicContact CG2-CG 4.32Å; S1155-E1179 WeakPolarHBondContact CB-OE1 3.13Å; S1155-E1179 PolarHBondContact OG-OE1 3.08Å; I1175-E1179 PolarHBondContact O-N 2.91Å; Q1176-E1179 PolarHBondContact O-N 3.2Å; F1177-E1179 PolarHBondContact O-N 2.94Å; E1179-R1183 WeakPolarHBondContact O-CB 3.43Å; E1179-R1183 WeakPolarHBondContact O-CG 3.42Å; E1179-R1183 PolarHBondContact O-N 3.46Å
1180	V	84.9	Confident	75.6	Confident	90 Å²	90	72.1 Å²	72.1	55%	0.545	40%	0.403	S	S	.	.	H	α-helix	trans	-68.1	-46.3	178.6	172.7	0	0	0	0	111.3	Q1176 F1177 V1178 R1183 S1184	Q1176-V1180 WeakPolarHBondContact O-CG2 3.25Å; Q1176-V1180 PolarHBondContact O-N 3.3Å; F1177-V1180 PolarHBondContact O-N 3.14Å; V1178-V1180 VanDerWaalsContact C-N 3.32Å; V1178-V1180 PolarHBondContact O-N 2.87Å; V1180-R1183 PolarHBondContact O-N 2.97Å; V1180-S1184 PolarHBondContact O-N 2.85Å
1181	S	81.9	Confident	73.6	Confident	23 Å²	23	79.4 Å²	79.4	16%	0.161	44%	0.441	C	S	.	.	H	α-helix	trans	-60	-48.6	178.1	-63.9	0	0	0	0	111.7	F1177 V1178 R1183 S1184 E1185	F1177-S1181 PolarHBondContact O-N 3.42Å; F1177-S1181 PolarHBondContact O-OG 2.91Å; V1178-S1181 PolarHBondContact O-N 2.89Å; S1181-R1183 VanDerWaalsContact C-N 3.34Å; S1181-R1183 PolarHBondContact O-N 2.73Å; S1181-S1184 PolarHBondContact O-N 3.25Å; S1181-S1184 VanDerWaalsContact O-N 3.12Å; S1181-S1184 PolarHBondContact O-OG 2.95Å; S1181-E1185 PolarHBondContact O-N 3.16Å; S1181-E1185 VanDerWaalsContact O-N 3.17Å
1182	L	79.6	Confident	71.4	Confident	3 Å²	3	85.1 Å²	85.1	2%	0.016	46%	0.462	C	S	.	.	H	α-helix	trans	-64.6	-36.8	178.3	-70.9	174.6	0	0	0	112.4	N1143 I1151 V1154 V1178 S1184 R1186	N1143-L1182 HydrophobicContact CB-CD2 4.08Å; I1151-L1182 HydrophobicContact CD1-CB 4.34Å; I1151-L1182 HydrophobicContact CG1-CB 4.23Å; V1154-L1182 HydrophobicContact CB-CD1 4.09Å; V1154-L1182 HydrophobicContact CG1-CD1 3.84Å; V1154-L1182 HydrophobicContact CG2-CD1 4.11Å; V1178-L1182 HydrophobicContact CG1-CD1 3.74Å; V1178-L1182 HydrophobicContact CG1-CG 4.29Å; V1178-L1182 WeakPolarHBondContact O-CB 3.47Å; V1178-L1182 WeakPolarHBondContact O-CG 3.46Å; V1178-L1182 PolarHBondContact O-N 2.96Å; L1182-S1184 VanDerWaalsContact C-N 3.3Å; L1182-S1184 PolarHBondContact O-N 3.05Å; L1182-R1186 VanDerWaalsContact O-CB 3.31Å; L1182-R1186 WeakPolarHBondContact O-CB 3.35Å; L1182-R1186 WeakPolarHBondContact O-CG 3.37Å; L1182-R1186 PolarHBondContact O-N 3.29Å
1183	R	78.8	Confident	69.1	Low	161 Å²	161	88.3 Å²	88.3	61%	0.608	47%	0.465	S	S	*	.	H	α-helix	trans	-64.4	-34.7	173.6	-78.3	177	-173.1	-170.4	6.9	112.5	I1151 E1179 V1180 S1181	I1151-R1183 HydrophobicContact CD1-CB 4.4Å; I1151-R1183 HydrophobicContact CD1-CG 3.63Å; E1179-R1183 WeakPolarHBondContact O-CB 3.43Å; E1179-R1183 WeakPolarHBondContact O-CG 3.42Å; E1179-R1183 PolarHBondContact O-N 3.46Å; V1180-R1183 PolarHBondContact O-N 2.97Å; S1181-R1183 VanDerWaalsContact C-N 3.34Å; S1181-R1183 PolarHBondContact O-N 2.73Å
1184	S	78.4	Confident	66.7	Low	89 Å²	89	88.9 Å²	88.9	62%	0.622	47%	0.465	S	S	*	.	H	α-helix	trans	-71.8	-35.9	179.9	75.2	0	0	0	0	112.9	V1180 S1181 L1182	V1180-S1184 PolarHBondContact O-N 2.85Å; S1181-S1184 PolarHBondContact O-N 3.25Å; S1181-S1184 VanDerWaalsContact O-N 3.12Å; S1181-S1184 PolarHBondContact O-OG 2.95Å; L1182-S1184 VanDerWaalsContact C-N 3.3Å; L1182-S1184 PolarHBondContact O-N 3.05Å
1185	E	73.4	Confident	64.2	Low	99 Å²	99	95.3 Å²	95.3	46%	0.463	50%	0.499	S	S	.	.	H	α-helix	trans	-87.4	-31.1	-178.1	-67.1	-179.3	176	0	0	113.1	N1143 S1181 S1187	N1143-E1185 WeakPolarHBondContact CB-OE2 3.29Å; N1143-E1185 VanDerWaalsContact ND2-CB 3.26Å; N1143-E1185 WeakPolarHBondContact ND2-CB 3.35Å; N1143-E1185 PolarHBondContact ND2-OE2 3.31Å; S1181-E1185 PolarHBondContact O-N 3.16Å; S1181-E1185 VanDerWaalsContact O-N 3.17Å; E1185-S1187 PolarHBondContact O-N 3.08Å
1186	R	73.1	Confident	61.7	Low	35 Å²	35	99 Å²	99	13%	0.132	52%	0.522	C	S	.	.			trans	-92.2	66.3	179.5	-61.4	-175.8	-177.8	-168.7	2.4	111.5	N1143 C1146 L1149 L1182 G1188 E1189	N1143-R1186 PolarHBondContact OD1-NE 3.1Å; N1143-R1186 PolarHBondContact OD1-NH2 2.97Å; N1143-R1186 VanDerWaalsContact OD1-NH2 3.14Å; C1146-R1186 PolarHBondContact O-NH2 3.05Å; L1149-R1186 PolarHBondContact O-NH1 2.94Å; L1182-R1186 VanDerWaalsContact O-CB 3.31Å; L1182-R1186 WeakPolarHBondContact O-CB 3.35Å; L1182-R1186 WeakPolarHBondContact O-CG 3.37Å; L1182-R1186 PolarHBondContact O-N 3.29Å; R1186-G1188 PolarHBondContact O-N 2.96Å; R1186-E1189 IonicContact NH1-OE2 3.79Å
1187	S	57	Low	59.1	Low	117 Å²	117	97.9 Å²	97.9	82%	0.818	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	87.8	174.6	60.9	0	0	0	0	110.8	E1185	E1185-S1187 PolarHBondContact O-N 3.08Å
1188	G	56.7	Low	56.5	Low	70 Å²	70	99.2 Å²	99.2	72%	0.722	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	151.6	-11.2	172	0	0	0	0	0	117.7	R1186 K1190	R1186-G1188 PolarHBondContact O-N 2.96Å; G1188-K1190 PolarHBondContact O-N 2.88Å
1189	E	46.3	Very low	53.9	Low	104 Å²	104	106.7 Å²	106.7	49%	0.486	58%	0.58	S	S	.	*			trans	-75.1	95.2	174.5	-77.4	-174.5	155	0	0	109.6	R1186 N1191	R1186-E1189 IonicContact NH1-OE2 3.79Å; E1189-N1191 PolarHBondContact O-N 3.4Å
1190	K	39.2	Very low	51.6	Low	189 Å²	189	109.4 Å²	109.4	82%	0.822	60%	0.602	S	S	*	*			trans	-49.1	135.4	164.4	-72.7	178.6	177.5	176	0	107.7	G1188 E1192	G1188-K1190 PolarHBondContact O-N 2.88Å; K1190-E1192 PolarHBondContact O-N 2.99Å
1191	N	39.3	Very low	49	Very low	162 Å²	162	111.4 Å²	111.4	87%	0.866	61%	0.614	S	S	*	*			trans	-50.4	75.3	171.6	-76.5	-31.3	0	0	0	111.7	E1189 K1193	E1189-N1191 PolarHBondContact O-N 3.4Å; N1191-K1193 PolarHBondContact O-N 3.47Å
1192	E	39.3	Very low	46.6	Very low	179 Å²	179	119.9 Å²	119.9	84%	0.836	65%	0.649	S	S	*	*			trans	-69.8	87	166	-77.7	-163.1	165.2	0	0	106.3	K1190 S1194	K1190-E1192 PolarHBondContact O-N 2.99Å; E1192-S1194 PolarHBondContact O-N 2.91Å
1193	K	33.9	Very low	44.4	Very low	175 Å²	175	124.3 Å²	124.3	76%	0.761	67%	0.672	S	S	*	*			trans	22.1	100.5	153.1	-64.9	176.8	179.5	177.5	0	112.4	N1191 L1195	N1191-K1193 PolarHBondContact O-N 3.47Å; K1193-L1195 PolarHBondContact O-N 3.33Å
1194	S	33.9	Very low	42.2	Very low	77 Å²	77	120.5 Å²	120.5	54%	0.538	68%	0.684	S	S	.	*			trans	-29.9	106.5	153.8	-177.5	0	0	0	0	109.3	E1192 V1196	E1192-S1194 PolarHBondContact O-N 2.91Å; S1194-V1196 PolarHBondContact O-N 2.82Å
1195	L	32.4	Very low	40.1	Very low	145 Å²	145	120.8 Å²	120.8	76%	0.759	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	33	179.5	-87.8	164.2	0	0	0	112.1	K1193 T1197	K1193-L1195 PolarHBondContact O-N 3.33Å; L1195-T1197 VanDerWaalsContact C-N 3.34Å
1196	V	31.5	Very low	38.2	Very low	99 Å²	99	122.4 Å²	122.4	60%	0.6	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-9.8	168.3	-179.5	0	0	0	0	110.9	S1194	S1194-V1196 PolarHBondContact O-N 2.82Å
1197	T	30.6	Very low	36.4	Very low	105 Å²	105	126 Å²	126	64%	0.644	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	120	174.5	40.8	0	0	0	0	111.5	L1195	L1195-T1197 VanDerWaalsContact C-N 3.34Å
1198	S	30.3	Very low	35.1	Very low	108 Å²	108	129.9 Å²	129.9	76%	0.755	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	81.2	51.8	-176.8	76.4	0	0	0	0	116.5	P1200	S1198-P1200 WeakPolarHBondContact O-CD 3.39Å
1199	M	29.7	Very low	33.8	Very low	161 Å²	161	135.1 Å²	135.1	79%	0.793	73%	0.733	S	S	*	*				-58.7	111.2	129.7	-82.7	-75.9	-173.9	0	0	105.4	T1201	M1199-T1201 PolarHBondContact O-N 3.49Å
1200	P	33.9	Very low	33.2	Very low	106 Å²	106	138.7 Å²	138.7	69%	0.688	75%	0.748	S	S	*	*			trans	-58.2	117	162.5	-7.2	24.1	0	0	0	103.5	S1198 F1202	S1198-P1200 WeakPolarHBondContact O-CD 3.39Å; P1200-F1202 PolarHBondContact O-N 3.43Å
1201	T	30.4	Very low	33	Very low	132 Å²	132	135.7 Å²	135.7	81%	0.81	75%	0.745	S	S	*	*			trans	-40.2	116.1	170.7	41.8	0	0	0	0	107	M1199 D1203	M1199-T1201 PolarHBondContact O-N 3.49Å; T1201-D1203 PolarHBondContact O-N 3.11Å
1202	F	31.6	Very low	32.7	Very low	201 Å²	201	130.7 Å²	130.7	88%	0.882	73%	0.727	S	S	*	*			trans	-62.5	86.6	-174.2	-149.1	-92	0	0	0	106.8	P1200 G1204	P1200-F1202 PolarHBondContact O-N 3.43Å; F1202-G1204 PolarHBondContact O-N 3Å
1203	D	32.1	Very low	32.5	Very low	96 Å²	96	128.5 Å²	128.5	51%	0.513	72%	0.72	S	S	.	*			trans	-66.4	122.9	167	89.1	44.9	0	0	0	104.8	T1201 S1205 N1206	T1201-D1203 PolarHBondContact O-N 3.11Å; D1203-S1205 PolarHBondContact O-N 3.28Å; D1203-S1205 VanDerWaalsContact OD1-CA 3.3Å; D1203-S1205 WeakPolarHBondContact OD1-CA 3.49Å; D1203-S1205 WeakPolarHBondContact OD1-CB 3.36Å; D1203-S1205 PolarHBondContact OD1-N 3Å; D1203-S1205 PolarHBondContact OD1-OG 3.44Å; D1203-N1206 PolarHBondContact OD1-N 3.19Å; D1203-N1206 VanDerWaalsContact OD1-N 3.13Å
1204	G	34.4	Very low	32.6	Very low	82 Å²	82	126.5 Å²	126.5	85%	0.845	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	16.6	178	0	0	0	0	0	112.8	F1202	F1202-G1204 PolarHBondContact O-N 3Å
1205	S	34.2	Very low	32.9	Very low	94 Å²	94	126.9 Å²	126.9	66%	0.657	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	-8.7	-168.2	67.5	0	0	0	0	114.9	D1203	D1203-S1205 PolarHBondContact O-N 3.28Å; D1203-S1205 VanDerWaalsContact OD1-CA 3.3Å; D1203-S1205 WeakPolarHBondContact OD1-CA 3.49Å; D1203-S1205 WeakPolarHBondContact OD1-CB 3.36Å; D1203-S1205 PolarHBondContact OD1-N 3Å; D1203-S1205 PolarHBondContact OD1-OG 3.44Å
1206	N	33.1	Very low	33.3	Very low	133 Å²	133	125 Å²	125	71%	0.711	72%	0.716	S	S	*	*			trans	-125	82.5	173.4	-140.6	-5.5	0	0	0	112.7	D1203 F1208	D1203-N1206 PolarHBondContact OD1-N 3.19Å; D1203-N1206 VanDerWaalsContact OD1-N 3.13Å; N1206-F1208 PolarHBondContact O-N 2.89Å; N1206-F1208 VanDerWaalsContact O-N 3.14Å
1207	P	33.9	Very low	33.5	Very low	111 Å²	111	126.3 Å²	126.3	72%	0.721	72%	0.72	S	S	*	*			trans	-59.4	121.7	172.3	25.4	-31.3	0	0	0	108.1	Q1209	P1207-Q1209 PolarHBondContact O-N 3.43Å
1208	F	31.2	Very low	34.1	Very low	199 Å²	199	125.5 Å²	125.5	87%	0.873	72%	0.723	S	S	*	*			trans	-32.9	115.6	175.4	-101.5	-97.6	0	0	0	110.5	N1206 F1210	N1206-F1208 PolarHBondContact O-N 2.89Å; N1206-F1208 VanDerWaalsContact O-N 3.14Å; F1208-F1210 PolarHBondContact O-N 2.92Å
1209	Q	29	Very low	34.7	Very low	179 Å²	179	124.5 Å²	124.5	84%	0.836	72%	0.717	S	S	*	*			trans	-64.2	93.5	168.4	-139.3	-179.6	10	0	0	105.8	P1207 T1211	P1207-Q1209 PolarHBondContact O-N 3.43Å; Q1209-T1211 VanDerWaalsContact C-N 3.26Å; Q1209-T1211 PolarHBondContact O-N 3.34Å; Q1209-T1211 PolarHBondContact O-OG1 3.41Å
1210	F	34.2	Very low	35.4	Very low	180 Å²	180	118.5 Å²	118.5	79%	0.789	69%	0.689	S	S	*	*			trans	-60.7	94.7	175.1	177.8	-99.4	0	0	0	107.1	F1208 A1212	F1208-F1210 PolarHBondContact O-N 2.92Å; F1210-A1212 VanDerWaalsContact C-N 3.35Å; F1210-A1212 HydrophobicContact CD1-CB 4.12Å; F1210-A1212 HydrophobicContact CE1-CB 3.6Å; F1210-A1212 HydrophobicContact CZ-CB 4.38Å; F1210-A1212 PolarHBondContact O-N 2.91Å; F1210-A1212 VanDerWaalsContact O-N 3.13Å
1211	T	34.4	Very low	36.1	Very low	125 Å²	125	121 Å²	121	77%	0.767	69%	0.691	S	S	*	*			trans	-80.3	95.7	170.2	-23.1	0	0	0	0	104.9	Q1209 N1213	Q1209-T1211 VanDerWaalsContact C-N 3.26Å; Q1209-T1211 PolarHBondContact O-N 3.34Å; Q1209-T1211 PolarHBondContact O-OG1 3.41Å; T1211-N1213 PolarHBondContact O-N 3.47Å
1212	A	32.3	Very low	36.7	Very low	58 Å²	58	117.5 Å²	117.5	48%	0.479	67%	0.667	S	S	.	*			trans	-53.4	113.5	174.7	0	0	0	0	0	107.8	F1210 C1214	F1210-A1212 VanDerWaalsContact C-N 3.35Å; F1210-A1212 HydrophobicContact CD1-CB 4.12Å; F1210-A1212 HydrophobicContact CE1-CB 3.6Å; F1210-A1212 HydrophobicContact CZ-CB 4.38Å; F1210-A1212 PolarHBondContact O-N 2.91Å; F1210-A1212 VanDerWaalsContact O-N 3.13Å; A1212-C1214 PolarHBondContact O-N 2.67Å; A1212-C1214 VanDerWaalsContact O-N 3.11Å
1213	N	34.9	Very low	37.4	Very low	132 Å²	132	109.1 Å²	109.1	71%	0.706	63%	0.633	S	S	*	*			trans	-57.9	121.5	169.7	-117.7	-11.7	0	0	0	106.2	T1211 V1215	T1211-N1213 PolarHBondContact O-N 3.47Å; N1213-V1215 PolarHBondContact O-N 3.4Å
1214	C	37	Very low	38.1	Very low	133 Å²	133	108.2 Å²	108.2	90%	0.899	64%	0.639	S	S	*	*	S	Bend	trans	-67.3	11.6	-178.3	-71.7	0	0	0	0	113.6	A1212 D1216	A1212-C1214 PolarHBondContact O-N 2.67Å; A1212-C1214 VanDerWaalsContact O-N 3.11Å; C1214-D1216 PolarHBondContact O-N 2.83Å
1215	V	39.6	Very low	38.7	Very low	85 Å²	85	107.5 Å²	107.5	52%	0.515	61%	0.613	S	S	.	*			trans	-77.3	101.4	170.3	-175.2	0	0	0	0	106.9	N1213 L1217 V1220	N1213-V1215 PolarHBondContact O-N 3.4Å; V1215-L1217 PolarHBondContact O-N 3.4Å; V1215-V1220 HydrophobicContact CG1-CG2 4.09Å
1216	D	42.2	Very low	38.9	Very low	105 Å²	105	104.8 Å²	104.8	56%	0.561	59%	0.59	S	S	*	*			trans	-57	105.1	170.1	-179.6	10.2	0	0	0	108.7	C1214 A1218 S1219	C1214-D1216 PolarHBondContact O-N 2.83Å; D1216-A1218 PolarHBondContact O-N 3.29Å; D1216-A1218 WeakPolarHBondContact OD1-CB 3.23Å; D1216-A1218 PolarHBondContact OD1-N 3.44Å; D1216-S1219 WeakPolarHBondContact O-CB 3.37Å; D1216-S1219 PolarHBondContact O-N 3.11Å; D1216-S1219 PolarHBondContact O-OG 2.99Å
1217	L	35.6	Very low	39.4	Very low	128 Å²	128	103.9 Å²	103.9	67%	0.67	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-57	-20.5	176	-84	158.6	0	0	0	111.8	V1215 S1219 V1220	V1215-L1217 PolarHBondContact O-N 3.4Å; L1217-S1219 PolarHBondContact O-N 3.18Å; L1217-V1220 PolarHBondContact O-N 3.03Å
1218	A	42.7	Very low	39.7	Very low	87 Å²	87	102.1 Å²	102.1	72%	0.719	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-66.6	-24.9	172.5	0	0	0	0	0	112.7	D1216	D1216-A1218 PolarHBondContact O-N 3.29Å; D1216-A1218 WeakPolarHBondContact OD1-CB 3.23Å; D1216-A1218 PolarHBondContact OD1-N 3.44Å
1219	S	42.7	Very low	39.9	Very low	88 Å²	88	94.5 Å²	94.5	62%	0.615	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-79.3	-17.9	174.3	73.8	0	0	0	0	113.5	D1216 L1217 E1221	D1216-S1219 WeakPolarHBondContact O-CB 3.37Å; D1216-S1219 PolarHBondContact O-N 3.11Å; D1216-S1219 PolarHBondContact O-OG 2.99Å; L1217-S1219 PolarHBondContact O-N 3.18Å; S1219-E1221 PolarHBondContact O-N 2.86Å
1220	V	43.4	Very low	40.2	Very low	34 Å²	34	89.3 Å²	89.3	21%	0.206	52%	0.523	C	S	.	.	S	Bend	trans	-88.6	109.1	178.6	-175.4	0	0	0	0	109.1	V1215 L1217 L1222	V1215-V1220 HydrophobicContact CG1-CG2 4.09Å; L1217-V1220 PolarHBondContact O-N 3.03Å; V1220-L1222 VanDerWaalsContact C-N 3.25Å; V1220-L1222 HydrophobicContact CG1-CG 4.38Å; V1220-L1222 PolarHBondContact O-N 3.11Å
1221	E	49.4	Very low	40.1	Very low	159 Å²	159	85.3 Å²	85.3	74%	0.743	52%	0.516	S	S	*	.			trans	-69.2	81.4	173.8	-79.6	-164.2	149	0	0	111.3	S1219	S1219-E1221 PolarHBondContact O-N 2.86Å
1222	L	43.1	Very low	40	Very low	58 Å²	58	85.8 Å²	85.8	30%	0.304	51%	0.508	S	S	.	.			trans	-68.4	133.6	168.6	-75.6	162.3	0	0	0	110	V1220 M1226 K1227	V1220-L1222 VanDerWaalsContact C-N 3.25Å; V1220-L1222 HydrophobicContact CG1-CG 4.38Å; V1220-L1222 PolarHBondContact O-N 3.11Å; L1222-M1226 HydrophobicContact CD2-CE 4.39Å; L1222-M1226 HydrophobicContact CD2-SD 4.34Å; L1222-K1227 HydrophobicContact CB-CG 4.04Å; L1222-K1227 WeakPolarHBondContact O-CE 3.32Å
1223	P	46.8	Very low	39.8	Very low	26 Å²	26	93.7 Å²	93.7	17%	0.169	53%	0.532	C	S	.	.			trans	-61.6	146.4	176.6	23.8	-29.5	0	0	0	110.5	W1107 F1225 M1226 K1227	W1107-P1223 HydrophobicContact CB-CG 4.23Å; W1107-P1223 VanDerWaalsContact CD1-CG 3.44Å; W1107-P1223 HydrophobicContact CD2-CG 4.44Å; W1107-P1223 HydrophobicContact CG-CG 3.77Å; P1223-F1225 HydrophobicContact CB-CD1 3.94Å; P1223-F1225 HydrophobicContact CB-CE1 3.71Å; P1223-F1225 HydrophobicContact CG-CD1 4.21Å; P1223-F1225 HydrophobicContact CG-CE1 3.56Å; P1223-F1225 HydrophobicContact CG-CZ 4.11Å; P1223-F1225 PolarHBondContact O-N 3.15Å; P1223-M1226 HydrophobicContact CG-CB 4.22Å; P1223-M1226 HydrophobicContact CG-CE 3.73Å; P1223-M1226 PolarHBondContact O-N 3.11Å; P1223-K1227 PolarHBondContact O-N 2.85Å; P1223-K1227 VanDerWaalsContact O-N 3.1Å
1224	A	47	Very low	40	Very low	76 Å²	76	91.8 Å²	91.8	63%	0.628	52%	0.523	S	S	*	.	H	α-helix	trans	-57.1	-29.6	-169.5	0	0	0	0	0	114.2	D1228	A1224-D1228 PolarHBondContact O-N 2.81Å
1225	F	45.3	Very low	40.2	Very low	68 Å²	68	89.6 Å²	89.6	30%	0.298	50%	0.503	S	S	.	.	H	α-helix	trans	-73.9	-34.1	176.7	82.4	-89.1	0	0	0	112.1	A1103 P1223 D1228 C1229	A1103-F1225 HydrophobicContact CB-CD1 4.43Å; A1103-F1225 HydrophobicContact CB-CD2 4Å; A1103-F1225 HydrophobicContact CB-CE1 3.73Å; A1103-F1225 HydrophobicContact CB-CE2 3.23Å; A1103-F1225 HydrophobicContact CB-CZ 3.1Å; P1223-F1225 HydrophobicContact CB-CD1 3.94Å; P1223-F1225 HydrophobicContact CB-CE1 3.71Å; P1223-F1225 HydrophobicContact CG-CD1 4.21Å; P1223-F1225 HydrophobicContact CG-CE1 3.56Å; P1223-F1225 HydrophobicContact CG-CZ 4.11Å; P1223-F1225 PolarHBondContact O-N 3.15Å; F1225-D1228 CarbonylContact O-C 3.55Å; F1225-D1228 WeakPolarHBondContact O-CB 3.4Å; F1225-D1228 PolarHBondContact O-N 3.28Å; F1225-C1229 PolarHBondContact O-N 3.2Å
1226	M	39.7	Very low	40.2	Very low	37 Å²	37	89.9 Å²	89.9	18%	0.182	50%	0.503	C	S	.	.	H	α-helix	trans	-71.3	-34.7	173.2	-99.7	-158.5	-82.9	0	0	111	L1104 L1222 P1223 D1228 C1229 A1230	L1104-M1226 HydrophobicContact CB-CE 4.17Å; L1104-M1226 HydrophobicContact CD1-CE 3.25Å; L1104-M1226 HydrophobicContact CD1-SD 3.92Å; L1104-M1226 HydrophobicContact CG-CE 4.29Å; L1222-M1226 HydrophobicContact CD2-CE 4.39Å; L1222-M1226 HydrophobicContact CD2-SD 4.34Å; P1223-M1226 HydrophobicContact CG-CB 4.22Å; P1223-M1226 HydrophobicContact CG-CE 3.73Å; P1223-M1226 PolarHBondContact O-N 3.11Å; M1226-D1228 PolarHBondContact O-N 3.26Å; M1226-C1229 PolarHBondContact O-N 2.73Å; M1226-A1230 VanDerWaalsContact O-CB 3.26Å; M1226-A1230 WeakPolarHBondContact O-CB 3.37Å; M1226-A1230 PolarHBondContact O-N 2.96Å
1227	K	43.9	Very low	40.1	Very low	114 Å²	114	89 Å²	89	50%	0.496	50%	0.499	S	S	.	.	H	α-helix	trans	-58.7	-38.7	167.4	-72.4	-176.3	177.4	179	0	111.5	L1222 P1223 C1231	L1222-K1227 HydrophobicContact CB-CG 4.04Å; L1222-K1227 WeakPolarHBondContact O-CE 3.32Å; P1223-K1227 PolarHBondContact O-N 2.85Å; P1223-K1227 VanDerWaalsContact O-N 3.1Å; K1227-C1231 WeakPolarHBondContact O-CB 3.48Å; K1227-C1231 PolarHBondContact O-N 2.99Å; K1227-C1231 PolarHBondContact O-SG 2.9Å
1228	D	39.4	Very low	40.4	Very low	74 Å²	74	86.6 Å²	86.6	40%	0.396	49%	0.489	S	S	.	.	H	α-helix	trans	-71.6	-30.6	175.8	-83.7	-17.5	0	0	0	113.3	K802 A1224 F1225 M1226	K802-D1228 IonicContact NZ-OD1 2.92Å; K802-D1228 PolarHBondContact NZ-OD1 2.85Å; A1224-D1228 PolarHBondContact O-N 2.81Å; F1225-D1228 CarbonylContact O-C 3.55Å; F1225-D1228 WeakPolarHBondContact O-CB 3.4Å; F1225-D1228 PolarHBondContact O-N 3.28Å; M1226-D1228 PolarHBondContact O-N 3.26Å
1229	C	34.3	Very low	40.2	Very low	38 Å²	38	86.5 Å²	86.5	26%	0.257	47%	0.473	S	S	.	.	H	α-helix	trans	-82.5	-37.4	176.5	-75.5	0	0	0	0	113.2	N1100 F1225 M1226 C1231 K1232 F1233	N1100-C1229 PolarHBondContact OD1-SG 3.07Å; F1225-C1229 PolarHBondContact O-N 3.2Å; M1226-C1229 PolarHBondContact O-N 2.73Å; C1229-C1231 PolarHBondContact O-N 3.17Å; C1229-K1232 WeakPolarHBondContact O-CA 3.45Å; C1229-K1232 WeakPolarHBondContact O-CB 3.45Å; C1229-K1232 PolarHBondContact O-N 2.74Å; C1229-F1233 PolarHBondContact O-N 3.46Å
1230	A	35.5	Very low	40	Very low	70 Å²	70	86.4 Å²	86.4	58%	0.579	46%	0.463	S	S	*	.	H	α-helix	trans	-69.6	-17.8	173.3	0	0	0	0	0	112.8	M1226 K1232	M1226-A1230 VanDerWaalsContact O-CB 3.26Å; M1226-A1230 WeakPolarHBondContact O-CB 3.37Å; M1226-A1230 PolarHBondContact O-N 2.96Å; A1230-K1232 VanDerWaalsContact C-N 3.34Å
1231	C	33.5	Very low	39.8	Very low	97 Å²	97	90.5 Å²	90.5	66%	0.655	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-5.6	166.5	-67.8	0	0	0	0	113.2	K1227 C1229	K1227-C1231 WeakPolarHBondContact O-CB 3.48Å; K1227-C1231 PolarHBondContact O-N 2.99Å; K1227-C1231 PolarHBondContact O-SG 2.9Å; C1229-C1231 PolarHBondContact O-N 3.17Å
1232	K	31.8	Very low	39	Very low	134 Å²	134	84.8 Å²	84.8	58%	0.583	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-27.8	179	-89.3	-175.9	173.9	-176.6	0	113	F795 C1229 A1230	F795-K1232 HydrophobicContact CZ-CG 4.35Å; C1229-K1232 WeakPolarHBondContact O-CA 3.45Å; C1229-K1232 WeakPolarHBondContact O-CB 3.45Å; C1229-K1232 PolarHBondContact O-N 2.74Å; A1230-K1232 VanDerWaalsContact C-N 3.34Å
1233	F	27.1	Very low	38.6	Very low	225 Å²	225	87.2 Å²	87.2	99%	0.987	48%	0.475	S	S	*	.			trans	-73.8	0	151	-108.3	-88.5	0	0	0	108.4	C1229	C1229-F1233 PolarHBondContact O-N 3.46Å

Retrieved 1,233 of 1,233 residues in 2760.2 ms (Link to these results)

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